USER MOD reduce.3.24.130724 H: found=0, std=0, add=1944, rem=0, adj=69 USER MOD reduce.3.24.130724 removed 1943 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 86 CYS SG : rot 48:sc= -4.04 USER MOD Set 1.2: C1934 MET CE :methyl 177:sc= -4! (180deg=-3.59!) USER MOD Set 2.1: A 73 GLN : amide:sc= -1! C(o=-0.28!,f=-7!) USER MOD Set 2.2: C1918 LYS NZ :NH3+ -170:sc= 0.726 (180deg=0) USER MOD Set 3.1: B 31 LYS NZ :NH3+ -131:sc=-0.00446 (180deg=-1.52!) USER MOD Set 3.2: B 68 ASN : amide:sc= -3.11! C(o=-3.1!,f=-6.2!) USER MOD Set 4.1: B 15 THR OG1 : rot -132:sc= 1.02 USER MOD Set 4.2: B 18 LYS NZ :NH3+ -178:sc= 1.32 (180deg=1.26) USER MOD Set 5.1: A 12 MET CE :methyl -155:sc= 0 (180deg=-0.966) USER MOD Set 5.2: A 80 SER OG : rot -132:sc= -0.559 USER MOD Set 5.3: B 12 MET CE :methyl -117:sc= -2.79 (180deg=-7.45!) USER MOD Set 5.4: B 80 SER OG : rot -152:sc= -1.62! USER MOD Set 6.1: A 81 CYS SG : rot 38:sc= -4.21! USER MOD Set 6.2: A 84 MET CE :methyl 177:sc= -4.33! (180deg=-4.51!) USER MOD Set 6.3: C1910 MET CE :methyl -173:sc= -4.84! (180deg=-4.97!) USER MOD Set 7.1: A 76 CYS SG : rot -150:sc= -4.45! USER MOD Set 7.2: B 84 MET CE :methyl 156:sc= -6.31! (180deg=-12.1!) USER MOD Set 8.1: A 61 ASN : amide:sc= -0.29 K(o=-2.1,f=-3.1) USER MOD Set 8.2: C1904 THR OG1 : rot -120:sc= -1.86! USER MOD Set 9.1: A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 9.2: A 60 SER OG : rot 180:sc= 0 USER MOD Set10.1: A 31 LYS NZ :NH3+ 132:sc= 0.946 (180deg=0) USER MOD Set10.2: A 68 ASN : amide:sc= 0.794 K(o=1.7,f=-7.1!) USER MOD Set11.1: A 15 THR OG1 : rot -140:sc= 1.19 USER MOD Set11.2: A 18 LYS NZ :NH3+ 178:sc= 1.24 (180deg=1.16) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -122:sc= 0.0973 (180deg=-0.0787) USER MOD Single : A 3 CYS SG : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ -172:sc= 0.995 (180deg=0.774) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 17 HIS :FLIP no HE2:sc= -2.24 F(o=-3.5,f=-2.2) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot -81:sc= -0.791! USER MOD Single : A 22 LYS NZ :NH3+ -130:sc= 0.625 (180deg=-0.792!) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 170:sc= 1.25 (180deg=1.14) USER MOD Single : A 30 ASN : amide:sc= 0.501 K(o=0.5,f=-3.6!) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 152:sc= 1.26 (180deg=0.975) USER MOD Single : A 39 THR OG1 : rot 4:sc= -1.38! USER MOD Single : A 44 SER OG : rot 180:sc= 0.0359 USER MOD Single : A 48 LYS NZ :NH3+ -159:sc= -1.48 (180deg=-2.35!) USER MOD Single : A 50 THR OG1 : rot 90:sc= -3.52! USER MOD Single : A 56 GLN :FLIP amide:sc= -0.0269 F(o=-1.3!,f=-0.027) USER MOD Single : A 59 MET CE :methyl 161:sc= -2.88! (180deg=-3.71!) USER MOD Single : A 64 SER OG : rot -29:sc= 1.15 USER MOD Single : A 65 ASN : amide:sc= 0.00811! C(o=0.0081!,f=-5.7!) USER MOD Single : A 75 TYR OH : rot 130:sc= -0.27 USER MOD Single : A 85 MET CE :methyl 172:sc= -8.23! (180deg=-9.07!) USER MOD Single : A 86 CYS SG : rot 109:sc= 0.0163 USER MOD Single : A 87 ASN : amide:sc= 0 X(o=0,f=-0.0045) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 GLN : amide:sc= 1.1 K(o=1.1,f=-1.1) USER MOD Single : A 100 LYS NZ :NH3+ -171:sc= 0.151 (180deg=-0.0205) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 3 CYS SG : rot 180:sc= 0 USER MOD Single : B 7 LYS NZ :NH3+ -173:sc= 0.92 (180deg=0.754) USER MOD Single : B 14 SER OG : rot 180:sc= 0 USER MOD Single : B 17 HIS :FLIP no HE2:sc= -0.593 F(o=-2.5,f=-0.59) USER MOD Single : B 19 TYR OH : rot 180:sc= 0 USER MOD Single : B 20 SER OG : rot -78:sc= -0.721! USER MOD Single : B 22 LYS NZ :NH3+ -133:sc= 0.799 (180deg=-0.837!) USER MOD Single : B 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 28 LYS NZ :NH3+ -168:sc= 1.23 (180deg=1.1) USER MOD Single : B 30 ASN : amide:sc= 0.214 K(o=0.21,f=-3.6!) USER MOD Single : B 32 SER OG : rot 180:sc= 0 USER MOD Single : B 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 39 THR OG1 : rot -2:sc= -1.29! USER MOD Single : B 44 SER OG : rot 180:sc= 0.0469 USER MOD Single : B 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 50 THR OG1 : rot 49:sc= 0.00522 USER MOD Single : B 56 GLN : amide:sc= -0.0661 K(o=-0.066,f=-1.3) USER MOD Single : B 57 LYS NZ :NH3+ 176:sc= 1.22 (180deg=1.2) USER MOD Single : B 59 MET CE :methyl 171:sc= -2.46 (180deg=-2.82) USER MOD Single : B 60 SER OG : rot 180:sc= 0 USER MOD Single : B 61 ASN : amide:sc= -1.84 X(o=-1.8,f=-1.6) USER MOD Single : B 64 SER OG : rot 112:sc= 1.26 USER MOD Single : B 65 ASN : amide:sc= 0 K(o=0,f=-0.76) USER MOD Single : B 73 GLN : amide:sc= -2.68! C(o=-2.7!,f=-4.5!) USER MOD Single : B 75 TYR OH : rot -30:sc= -0.0744 USER MOD Single : B 76 CYS SG : rot 70:sc= 0.33 USER MOD Single : B 81 CYS SG : rot 76:sc= -13.8! USER MOD Single : B 85 MET CE :methyl -139:sc= -0.0206 (180deg=-1.15) USER MOD Single : B 87 ASN : amide:sc= -4.26! C(o=-4.3!,f=-4.3!) USER MOD Single : B 96 LYS NZ :NH3+ 179:sc= 2.79 (180deg=2.73) USER MOD Single : B 97 GLN : amide:sc= -1.16 K(o=-1.2,f=-5.9!) USER MOD Single : B 100 LYS NZ :NH3+ 171:sc= -0.0222 (180deg=-0.164) USER MOD Single : B 101 LYS NZ :NH3+ -176:sc= 1.23 (180deg=1.12) USER MOD Single : C1897 GLN : amide:sc= -1.88 X(o=-1.9,f=-2.2) USER MOD Single : C1906 THR OG1 : rot 180:sc= 0.0878 USER MOD Single : C1911 ASN :FLIP amide:sc= -0.175 F(o=-0.74,f=-0.18) USER MOD Single : C1915 SER OG : rot -89:sc= 0.606 USER MOD Single : C1916 SER OG : rot 180:sc= 0 USER MOD Single : C1919 ASN : amide:sc= 0 K(o=0,f=-0.68) USER MOD Single : C1920 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLN C1897 -20.225 -11.430 2.474 1.00 1.90 N ATOM 2 CA GLN C1897 -19.502 -10.488 1.591 1.00 1.28 C ATOM 3 C GLN C1897 -18.613 -9.566 2.424 1.00 1.03 C ATOM 4 O GLN C1897 -18.727 -9.541 3.650 1.00 1.73 O ATOM 5 CB GLN C1897 -20.510 -9.666 0.770 1.00 1.38 C ATOM 6 CG GLN C1897 -19.868 -8.798 -0.300 1.00 1.18 C ATOM 7 CD GLN C1897 -18.981 -9.602 -1.229 1.00 1.58 C ATOM 8 OE1 GLN C1897 -19.255 -10.763 -1.523 1.00 2.33 O ATOM 9 NE2 GLN C1897 -17.893 -9.000 -1.660 1.00 1.78 N ATOM 0 HA GLN C1897 -18.869 -11.052 0.906 1.00 1.28 H new ATOM 0 HB2 GLN C1897 -21.218 -10.346 0.296 1.00 1.38 H new ATOM 0 HB3 GLN C1897 -21.082 -9.030 1.446 1.00 1.38 H new ATOM 0 HG2 GLN C1897 -20.647 -8.304 -0.881 1.00 1.18 H new ATOM 0 HG3 GLN C1897 -19.278 -8.014 0.175 1.00 1.18 H new ATOM 0 HE21 GLN C1897 -17.704 -8.034 -1.391 1.00 1.78 H new ATOM 0 HE22 GLN C1897 -17.239 -9.499 -2.263 1.00 1.78 H new ATOM 20 N ARG C1898 -17.713 -8.842 1.747 1.00 0.67 N ATOM 21 CA ARG C1898 -16.829 -7.879 2.345 1.00 0.76 C ATOM 22 C ARG C1898 -15.585 -8.542 2.872 1.00 0.64 C ATOM 23 O ARG C1898 -15.470 -8.908 4.045 1.00 0.95 O ATOM 24 CB ARG C1898 -17.476 -7.035 3.417 1.00 1.15 C ATOM 25 CG ARG C1898 -16.474 -6.097 4.058 1.00 1.54 C ATOM 26 CD ARG C1898 -17.001 -5.437 5.303 1.00 2.04 C ATOM 27 NE ARG C1898 -17.487 -6.407 6.288 1.00 2.71 N ATOM 28 CZ ARG C1898 -18.686 -6.349 6.874 1.00 3.58 C ATOM 29 NH1 ARG C1898 -19.589 -5.457 6.487 1.00 3.84 N ATOM 30 NH2 ARG C1898 -18.994 -7.207 7.834 1.00 4.54 N ATOM 0 H ARG C1898 -17.590 -8.925 0.738 1.00 0.67 H new ATOM 0 HA ARG C1898 -16.559 -7.192 1.543 1.00 0.76 H new ATOM 0 HB2 ARG C1898 -18.293 -6.458 2.985 1.00 1.15 H new ATOM 0 HB3 ARG C1898 -17.911 -7.682 4.179 1.00 1.15 H new ATOM 0 HG2 ARG C1898 -15.569 -6.653 4.303 1.00 1.54 H new ATOM 0 HG3 ARG C1898 -16.191 -5.329 3.338 1.00 1.54 H new ATOM 0 HD2 ARG C1898 -16.213 -4.832 5.751 1.00 2.04 H new ATOM 0 HD3 ARG C1898 -17.811 -4.758 5.036 1.00 2.04 H new ATOM 0 HE ARG C1898 -16.869 -7.177 6.543 1.00 2.71 H new ATOM 0 HH11 ARG C1898 -19.371 -4.805 5.734 1.00 3.84 H new ATOM 0 HH12 ARG C1898 -20.501 -5.424 6.943 1.00 3.84 H new ATOM 0 HH21 ARG C1898 -18.316 -7.911 8.125 1.00 4.54 H new ATOM 0 HH22 ARG C1898 -19.909 -7.164 8.282 1.00 4.54 H new ATOM 44 N GLU C1899 -14.683 -8.718 1.951 1.00 0.40 N ATOM 45 CA GLU C1899 -13.308 -9.033 2.223 1.00 0.29 C ATOM 46 C GLU C1899 -12.713 -7.963 3.121 1.00 0.24 C ATOM 47 O GLU C1899 -11.803 -8.221 3.903 1.00 0.27 O ATOM 48 CB GLU C1899 -12.579 -9.037 0.893 1.00 0.30 C ATOM 49 CG GLU C1899 -13.130 -7.968 -0.046 1.00 0.35 C ATOM 50 CD GLU C1899 -14.215 -8.509 -0.958 1.00 0.62 C ATOM 51 OE1 GLU C1899 -13.865 -9.015 -2.049 1.00 0.76 O ATOM 52 OE2 GLU C1899 -15.407 -8.409 -0.612 1.00 0.97 O ATOM 0 H GLU C1899 -14.890 -8.644 0.955 1.00 0.40 H new ATOM 0 HA GLU C1899 -13.219 -9.999 2.721 1.00 0.29 H new ATOM 0 HB2 GLU C1899 -11.515 -8.865 1.059 1.00 0.30 H new ATOM 0 HB3 GLU C1899 -12.675 -10.018 0.427 1.00 0.30 H new ATOM 0 HG2 GLU C1899 -13.531 -7.142 0.542 1.00 0.35 H new ATOM 0 HG3 GLU C1899 -12.318 -7.564 -0.650 1.00 0.35 H new ATOM 59 N LEU C1900 -13.267 -6.753 3.011 1.00 0.24 N ATOM 60 CA LEU C1900 -12.761 -5.597 3.734 1.00 0.25 C ATOM 61 C LEU C1900 -12.936 -5.737 5.253 1.00 0.28 C ATOM 62 O LEU C1900 -12.562 -4.837 6.004 1.00 0.44 O ATOM 63 CB LEU C1900 -13.418 -4.291 3.259 1.00 0.33 C ATOM 64 CG LEU C1900 -13.032 -3.771 1.869 1.00 0.20 C ATOM 65 CD1 LEU C1900 -11.534 -3.809 1.660 1.00 0.22 C ATOM 66 CD2 LEU C1900 -13.762 -4.497 0.773 1.00 0.31 C ATOM 0 H LEU C1900 -14.074 -6.554 2.420 1.00 0.24 H new ATOM 0 HA LEU C1900 -11.694 -5.553 3.514 1.00 0.25 H new ATOM 0 HB2 LEU C1900 -14.499 -4.432 3.278 1.00 0.33 H new ATOM 0 HB3 LEU C1900 -13.185 -3.513 3.986 1.00 0.33 H new ATOM 0 HG LEU C1900 -13.344 -2.728 1.820 1.00 0.20 H new ATOM 0 HD11 LEU C1900 -11.296 -3.434 0.665 1.00 0.22 H new ATOM 0 HD12 LEU C1900 -11.046 -3.186 2.409 1.00 0.22 H new ATOM 0 HD13 LEU C1900 -11.179 -4.835 1.755 1.00 0.22 H new ATOM 0 HD21 LEU C1900 -13.458 -4.096 -0.194 1.00 0.31 H new ATOM 0 HD22 LEU C1900 -13.522 -5.559 0.817 1.00 0.31 H new ATOM 0 HD23 LEU C1900 -14.836 -4.362 0.900 1.00 0.31 H new ATOM 78 N GLU C1901 -13.499 -6.849 5.712 1.00 0.27 N ATOM 79 CA GLU C1901 -13.620 -7.090 7.144 1.00 0.34 C ATOM 80 C GLU C1901 -12.283 -7.539 7.705 1.00 0.37 C ATOM 81 O GLU C1901 -11.813 -7.007 8.707 1.00 0.52 O ATOM 82 CB GLU C1901 -14.697 -8.129 7.440 1.00 0.48 C ATOM 83 CG GLU C1901 -14.932 -8.355 8.926 1.00 1.00 C ATOM 84 CD GLU C1901 -16.125 -9.245 9.203 1.00 1.11 C ATOM 85 OE1 GLU C1901 -17.263 -8.726 9.234 1.00 1.44 O ATOM 86 OE2 GLU C1901 -15.936 -10.462 9.395 1.00 1.48 O ATOM 0 H GLU C1901 -13.875 -7.590 5.121 1.00 0.27 H new ATOM 0 HA GLU C1901 -13.916 -6.158 7.625 1.00 0.34 H new ATOM 0 HB2 GLU C1901 -15.632 -7.814 6.977 1.00 0.48 H new ATOM 0 HB3 GLU C1901 -14.415 -9.075 6.977 1.00 0.48 H new ATOM 0 HG2 GLU C1901 -14.041 -8.802 9.366 1.00 1.00 H new ATOM 0 HG3 GLU C1901 -15.081 -7.393 9.416 1.00 1.00 H new ATOM 93 N ASP C1902 -11.672 -8.515 7.049 1.00 0.37 N ATOM 94 CA ASP C1902 -10.330 -8.950 7.410 1.00 0.46 C ATOM 95 C ASP C1902 -9.298 -8.082 6.714 1.00 0.44 C ATOM 96 O ASP C1902 -8.190 -7.899 7.210 1.00 0.58 O ATOM 97 CB ASP C1902 -10.104 -10.416 7.038 1.00 0.60 C ATOM 98 CG ASP C1902 -10.442 -10.727 5.594 1.00 1.18 C ATOM 99 OD1 ASP C1902 -11.642 -10.893 5.286 1.00 1.42 O ATOM 100 OD2 ASP C1902 -9.513 -10.820 4.764 1.00 2.01 O ATOM 0 H ASP C1902 -12.084 -9.021 6.265 1.00 0.37 H new ATOM 0 HA ASP C1902 -10.223 -8.850 8.490 1.00 0.46 H new ATOM 0 HB2 ASP C1902 -9.061 -10.674 7.224 1.00 0.60 H new ATOM 0 HB3 ASP C1902 -10.709 -11.046 7.689 1.00 0.60 H new ATOM 105 N ALA C1903 -9.697 -7.549 5.567 1.00 0.36 N ATOM 106 CA ALA C1903 -8.860 -6.670 4.759 1.00 0.46 C ATOM 107 C ALA C1903 -8.225 -5.570 5.570 1.00 0.37 C ATOM 108 O ALA C1903 -7.024 -5.550 5.824 1.00 0.37 O ATOM 109 CB ALA C1903 -9.711 -6.005 3.699 1.00 0.66 C ATOM 0 H ALA C1903 -10.620 -7.716 5.167 1.00 0.36 H new ATOM 0 HA ALA C1903 -8.075 -7.292 4.329 1.00 0.46 H new ATOM 0 HB1 ALA C1903 -9.089 -5.347 3.093 1.00 0.66 H new ATOM 0 HB2 ALA C1903 -10.161 -6.767 3.062 1.00 0.66 H new ATOM 0 HB3 ALA C1903 -10.498 -5.421 4.177 1.00 0.66 H new ATOM 115 N THR C1904 -9.070 -4.655 5.980 1.00 0.37 N ATOM 116 CA THR C1904 -8.627 -3.420 6.551 1.00 0.36 C ATOM 117 C THR C1904 -8.663 -3.488 8.067 1.00 0.34 C ATOM 118 O THR C1904 -8.364 -2.519 8.761 1.00 0.36 O ATOM 119 CB THR C1904 -9.479 -2.276 5.993 1.00 0.40 C ATOM 120 OG1 THR C1904 -10.870 -2.552 6.197 1.00 0.42 O ATOM 121 CG2 THR C1904 -9.216 -2.131 4.501 1.00 0.40 C ATOM 0 H THR C1904 -10.084 -4.752 5.924 1.00 0.37 H new ATOM 0 HA THR C1904 -7.589 -3.232 6.276 1.00 0.36 H new ATOM 0 HB THR C1904 -9.215 -1.354 6.510 1.00 0.40 H new ATOM 0 HG1 THR C1904 -11.328 -2.582 5.331 1.00 0.42 H new ATOM 0 HG21 THR C1904 -9.822 -1.317 4.102 1.00 0.40 H new ATOM 0 HG22 THR C1904 -8.161 -1.912 4.337 1.00 0.40 H new ATOM 0 HG23 THR C1904 -9.477 -3.060 3.994 1.00 0.40 H new ATOM 129 N GLU C1905 -9.021 -4.656 8.570 1.00 0.32 N ATOM 130 CA GLU C1905 -8.825 -4.979 9.970 1.00 0.32 C ATOM 131 C GLU C1905 -7.357 -4.794 10.287 1.00 0.28 C ATOM 132 O GLU C1905 -6.972 -4.152 11.266 1.00 0.32 O ATOM 133 CB GLU C1905 -9.195 -6.434 10.203 1.00 0.36 C ATOM 134 CG GLU C1905 -9.042 -6.898 11.643 1.00 0.62 C ATOM 135 CD GLU C1905 -10.086 -6.311 12.570 1.00 1.25 C ATOM 136 OE1 GLU C1905 -11.247 -6.771 12.535 1.00 1.76 O ATOM 137 OE2 GLU C1905 -9.748 -5.408 13.360 1.00 2.06 O ATOM 0 H GLU C1905 -9.452 -5.401 8.024 1.00 0.32 H new ATOM 0 HA GLU C1905 -9.443 -4.339 10.600 1.00 0.32 H new ATOM 0 HB2 GLU C1905 -10.228 -6.588 9.892 1.00 0.36 H new ATOM 0 HB3 GLU C1905 -8.573 -7.061 9.564 1.00 0.36 H new ATOM 0 HG2 GLU C1905 -9.105 -7.986 11.677 1.00 0.62 H new ATOM 0 HG3 GLU C1905 -8.050 -6.625 12.003 1.00 0.62 H new ATOM 144 N THR C1906 -6.547 -5.364 9.408 1.00 0.25 N ATOM 145 CA THR C1906 -5.114 -5.263 9.497 1.00 0.24 C ATOM 146 C THR C1906 -4.653 -3.865 9.108 1.00 0.21 C ATOM 147 O THR C1906 -3.529 -3.471 9.423 1.00 0.19 O ATOM 148 CB THR C1906 -4.452 -6.307 8.585 1.00 0.29 C ATOM 149 OG1 THR C1906 -5.426 -7.288 8.211 1.00 0.48 O ATOM 150 CG2 THR C1906 -3.301 -6.995 9.298 1.00 0.47 C ATOM 0 H THR C1906 -6.875 -5.911 8.612 1.00 0.25 H new ATOM 0 HA THR C1906 -4.817 -5.454 10.528 1.00 0.24 H new ATOM 0 HB THR C1906 -4.063 -5.802 7.701 1.00 0.29 H new ATOM 0 HG1 THR C1906 -5.010 -7.956 7.627 1.00 0.48 H new ATOM 0 HG21 THR C1906 -2.848 -7.730 8.633 1.00 0.47 H new ATOM 0 HG22 THR C1906 -2.554 -6.254 9.582 1.00 0.47 H new ATOM 0 HG23 THR C1906 -3.674 -7.496 10.191 1.00 0.47 H new ATOM 158 N ALA C1907 -5.526 -3.108 8.426 1.00 0.23 N ATOM 159 CA ALA C1907 -5.192 -1.735 8.059 1.00 0.21 C ATOM 160 C ALA C1907 -4.847 -0.922 9.297 1.00 0.21 C ATOM 161 O ALA C1907 -3.853 -0.201 9.318 1.00 0.21 O ATOM 162 CB ALA C1907 -6.312 -1.050 7.276 1.00 0.22 C ATOM 0 H ALA C1907 -6.449 -3.420 8.125 1.00 0.23 H new ATOM 0 HA ALA C1907 -4.322 -1.785 7.404 1.00 0.21 H new ATOM 0 HB1 ALA C1907 -6.012 -0.032 7.028 1.00 0.22 H new ATOM 0 HB2 ALA C1907 -6.506 -1.605 6.358 1.00 0.22 H new ATOM 0 HB3 ALA C1907 -7.217 -1.024 7.883 1.00 0.22 H new ATOM 168 N ASP C1908 -5.674 -1.053 10.329 1.00 0.24 N ATOM 169 CA ASP C1908 -5.415 -0.405 11.613 1.00 0.26 C ATOM 170 C ASP C1908 -4.012 -0.727 12.132 1.00 0.27 C ATOM 171 O ASP C1908 -3.304 0.159 12.608 1.00 0.34 O ATOM 172 CB ASP C1908 -6.457 -0.840 12.644 1.00 0.33 C ATOM 173 CG ASP C1908 -6.172 -0.295 14.030 1.00 0.44 C ATOM 174 OD1 ASP C1908 -6.617 0.832 14.335 1.00 0.58 O ATOM 175 OD2 ASP C1908 -5.491 -0.980 14.820 1.00 0.68 O ATOM 0 H ASP C1908 -6.532 -1.603 10.302 1.00 0.24 H new ATOM 0 HA ASP C1908 -5.482 0.672 11.458 1.00 0.26 H new ATOM 0 HB2 ASP C1908 -7.443 -0.505 12.322 1.00 0.33 H new ATOM 0 HB3 ASP C1908 -6.488 -1.929 12.686 1.00 0.33 H new ATOM 180 N ALA C1909 -3.610 -1.992 12.030 1.00 0.23 N ATOM 181 CA ALA C1909 -2.292 -2.410 12.508 1.00 0.24 C ATOM 182 C ALA C1909 -1.180 -1.803 11.656 1.00 0.22 C ATOM 183 O ALA C1909 -0.300 -1.108 12.174 1.00 0.24 O ATOM 184 CB ALA C1909 -2.187 -3.925 12.526 1.00 0.27 C ATOM 0 H ALA C1909 -4.172 -2.741 11.624 1.00 0.23 H new ATOM 0 HA ALA C1909 -2.171 -2.043 13.527 1.00 0.24 H new ATOM 0 HB1 ALA C1909 -1.200 -4.217 12.884 1.00 0.27 H new ATOM 0 HB2 ALA C1909 -2.949 -4.335 13.189 1.00 0.27 H new ATOM 0 HB3 ALA C1909 -2.336 -4.312 11.518 1.00 0.27 H new ATOM 190 N MET C1910 -1.215 -2.086 10.354 1.00 0.19 N ATOM 191 CA MET C1910 -0.300 -1.477 9.390 1.00 0.19 C ATOM 192 C MET C1910 -0.204 0.038 9.545 1.00 0.19 C ATOM 193 O MET C1910 0.845 0.607 9.322 1.00 0.22 O ATOM 194 CB MET C1910 -0.730 -1.829 7.961 1.00 0.18 C ATOM 195 CG MET C1910 -0.083 -0.970 6.873 1.00 0.20 C ATOM 196 SD MET C1910 -0.448 -1.590 5.227 1.00 0.20 S ATOM 197 CE MET C1910 0.114 -3.284 5.391 1.00 0.14 C ATOM 0 H MET C1910 -1.877 -2.742 9.939 1.00 0.19 H new ATOM 0 HA MET C1910 0.691 -1.884 9.591 1.00 0.19 H new ATOM 0 HB2 MET C1910 -0.490 -2.875 7.770 1.00 0.18 H new ATOM 0 HB3 MET C1910 -1.813 -1.732 7.887 1.00 0.18 H new ATOM 0 HG2 MET C1910 -0.438 0.057 6.962 1.00 0.20 H new ATOM 0 HG3 MET C1910 0.997 -0.948 7.022 1.00 0.20 H new ATOM 0 HE1 MET C1910 0.074 -3.776 4.419 1.00 0.14 H new ATOM 0 HE2 MET C1910 1.140 -3.293 5.760 1.00 0.14 H new ATOM 0 HE3 MET C1910 -0.529 -3.814 6.093 1.00 0.14 H new ATOM 207 N ASN C1911 -1.282 0.691 9.938 1.00 0.21 N ATOM 208 CA ASN C1911 -1.288 2.151 10.043 1.00 0.22 C ATOM 209 C ASN C1911 -0.339 2.640 11.126 1.00 0.23 C ATOM 210 O ASN C1911 0.267 3.705 11.008 1.00 0.27 O ATOM 211 CB ASN C1911 -2.695 2.649 10.340 1.00 0.24 C ATOM 212 CG ASN C1911 -2.809 4.150 10.212 1.00 0.25 C ATOM 213 OD1 ASN C1911 -3.099 4.601 9.011 1.00 0.42 O flip ATOM 214 ND2 ASN C1911 -2.628 4.893 11.178 1.00 0.25 N flip ATOM 0 H ASN C1911 -2.163 0.243 10.190 1.00 0.21 H new ATOM 0 HA ASN C1911 -0.949 2.550 9.087 1.00 0.22 H new ATOM 0 HB2 ASN C1911 -3.398 2.174 9.657 1.00 0.24 H new ATOM 0 HB3 ASN C1911 -2.979 2.350 11.349 1.00 0.24 H new ATOM 0 HD21 ASN C1911 -2.405 4.497 12.091 1.00 0.25 H new ATOM 0 HD22 ASN C1911 -2.701 5.904 11.065 1.00 0.25 H new ATOM 221 N ARG C1912 -0.194 1.853 12.169 1.00 0.23 N ATOM 222 CA ARG C1912 0.639 2.242 13.293 1.00 0.26 C ATOM 223 C ARG C1912 2.100 2.154 12.904 1.00 0.28 C ATOM 224 O ARG C1912 2.910 3.007 13.265 1.00 0.38 O ATOM 225 CB ARG C1912 0.358 1.340 14.482 1.00 0.30 C ATOM 226 CG ARG C1912 -1.130 1.131 14.723 1.00 0.75 C ATOM 227 CD ARG C1912 -1.875 2.456 14.719 1.00 1.46 C ATOM 228 NE ARG C1912 -3.323 2.284 14.797 1.00 2.17 N ATOM 229 CZ ARG C1912 -4.170 3.281 15.051 1.00 2.91 C ATOM 230 NH1 ARG C1912 -3.716 4.517 15.216 1.00 3.13 N ATOM 231 NH2 ARG C1912 -5.474 3.049 15.113 1.00 3.76 N ATOM 0 H ARG C1912 -0.640 0.941 12.265 1.00 0.23 H new ATOM 0 HA ARG C1912 0.409 3.271 13.570 1.00 0.26 H new ATOM 0 HB2 ARG C1912 0.835 0.373 14.320 1.00 0.30 H new ATOM 0 HB3 ARG C1912 0.809 1.772 15.375 1.00 0.30 H new ATOM 0 HG2 ARG C1912 -1.539 0.478 13.952 1.00 0.75 H new ATOM 0 HG3 ARG C1912 -1.280 0.628 15.679 1.00 0.75 H new ATOM 0 HD2 ARG C1912 -1.538 3.061 15.561 1.00 1.46 H new ATOM 0 HD3 ARG C1912 -1.626 3.006 13.812 1.00 1.46 H new ATOM 0 HE ARG C1912 -3.707 1.351 14.649 1.00 2.17 H new ATOM 0 HH11 ARG C1912 -2.716 4.706 15.149 1.00 3.13 H new ATOM 0 HH12 ARG C1912 -4.367 5.278 15.410 1.00 3.13 H new ATOM 0 HH21 ARG C1912 -5.832 2.105 14.966 1.00 3.76 H new ATOM 0 HH22 ARG C1912 -6.119 3.814 15.308 1.00 3.76 H new ATOM 245 N GLU C1913 2.424 1.126 12.140 1.00 0.23 N ATOM 246 CA GLU C1913 3.771 0.952 11.648 1.00 0.25 C ATOM 247 C GLU C1913 3.997 1.818 10.422 1.00 0.22 C ATOM 248 O GLU C1913 5.079 2.322 10.226 1.00 0.27 O ATOM 249 CB GLU C1913 4.044 -0.516 11.331 1.00 0.29 C ATOM 250 CG GLU C1913 3.035 -1.132 10.380 1.00 0.29 C ATOM 251 CD GLU C1913 3.157 -2.639 10.312 1.00 0.39 C ATOM 252 OE1 GLU C1913 3.119 -3.278 11.386 1.00 0.79 O ATOM 253 OE2 GLU C1913 3.281 -3.191 9.208 1.00 0.57 O ATOM 0 H GLU C1913 1.769 0.400 11.849 1.00 0.23 H new ATOM 0 HA GLU C1913 4.468 1.264 12.426 1.00 0.25 H new ATOM 0 HB2 GLU C1913 5.040 -0.606 10.898 1.00 0.29 H new ATOM 0 HB3 GLU C1913 4.048 -1.085 12.261 1.00 0.29 H new ATOM 0 HG2 GLU C1913 2.028 -0.865 10.700 1.00 0.29 H new ATOM 0 HG3 GLU C1913 3.175 -0.713 9.384 1.00 0.29 H new ATOM 260 N VAL C1914 2.954 2.014 9.626 1.00 0.19 N ATOM 261 CA VAL C1914 3.047 2.780 8.384 1.00 0.20 C ATOM 262 C VAL C1914 3.439 4.215 8.675 1.00 0.18 C ATOM 263 O VAL C1914 4.212 4.827 7.943 1.00 0.20 O ATOM 264 CB VAL C1914 1.704 2.756 7.599 1.00 0.24 C ATOM 265 CG1 VAL C1914 0.811 3.932 7.952 1.00 0.26 C ATOM 266 CG2 VAL C1914 1.941 2.723 6.108 1.00 0.29 C ATOM 0 H VAL C1914 2.021 1.649 9.820 1.00 0.19 H new ATOM 0 HA VAL C1914 3.814 2.312 7.767 1.00 0.20 H new ATOM 0 HB VAL C1914 1.190 1.842 7.897 1.00 0.24 H new ATOM 0 HG11 VAL C1914 -0.114 3.871 7.379 1.00 0.26 H new ATOM 0 HG12 VAL C1914 0.580 3.907 9.017 1.00 0.26 H new ATOM 0 HG13 VAL C1914 1.325 4.863 7.714 1.00 0.26 H new ATOM 0 HG21 VAL C1914 0.983 2.707 5.588 1.00 0.29 H new ATOM 0 HG22 VAL C1914 2.501 3.609 5.809 1.00 0.29 H new ATOM 0 HG23 VAL C1914 2.509 1.830 5.850 1.00 0.29 H new ATOM 276 N SER C1915 2.924 4.730 9.772 1.00 0.21 N ATOM 277 CA SER C1915 3.134 6.103 10.127 1.00 0.28 C ATOM 278 C SER C1915 4.558 6.299 10.629 1.00 0.28 C ATOM 279 O SER C1915 5.181 7.335 10.392 1.00 0.36 O ATOM 280 CB SER C1915 2.092 6.499 11.159 1.00 0.36 C ATOM 281 OG SER C1915 2.083 5.601 12.254 1.00 1.31 O ATOM 0 H SER C1915 2.352 4.206 10.434 1.00 0.21 H new ATOM 0 HA SER C1915 3.017 6.751 9.259 1.00 0.28 H new ATOM 0 HB2 SER C1915 2.296 7.508 11.516 1.00 0.36 H new ATOM 0 HB3 SER C1915 1.106 6.519 10.694 1.00 0.36 H new ATOM 0 HG SER C1915 1.464 4.864 12.068 1.00 1.31 H new ATOM 287 N SER C1916 5.082 5.277 11.295 1.00 0.25 N ATOM 288 CA SER C1916 6.470 5.292 11.724 1.00 0.27 C ATOM 289 C SER C1916 7.388 4.903 10.563 1.00 0.27 C ATOM 290 O SER C1916 8.456 5.484 10.374 1.00 0.29 O ATOM 291 CB SER C1916 6.669 4.330 12.900 1.00 0.31 C ATOM 292 OG SER C1916 7.955 4.481 13.478 1.00 1.04 O ATOM 0 H SER C1916 4.568 4.433 11.547 1.00 0.25 H new ATOM 0 HA SER C1916 6.725 6.301 12.048 1.00 0.27 H new ATOM 0 HB2 SER C1916 5.905 4.513 13.655 1.00 0.31 H new ATOM 0 HB3 SER C1916 6.540 3.303 12.558 1.00 0.31 H new ATOM 0 HG SER C1916 8.053 3.856 14.226 1.00 1.04 H new ATOM 298 N LEU C1917 6.945 3.936 9.772 1.00 0.30 N ATOM 299 CA LEU C1917 7.761 3.366 8.721 1.00 0.30 C ATOM 300 C LEU C1917 7.966 4.352 7.571 1.00 0.26 C ATOM 301 O LEU C1917 9.094 4.538 7.116 1.00 0.26 O ATOM 302 CB LEU C1917 7.174 2.030 8.231 1.00 0.42 C ATOM 303 CG LEU C1917 8.121 1.163 7.390 1.00 0.57 C ATOM 304 CD1 LEU C1917 7.559 -0.220 7.168 1.00 1.25 C ATOM 305 CD2 LEU C1917 8.370 1.793 6.054 1.00 1.16 C ATOM 0 H LEU C1917 6.013 3.529 9.844 1.00 0.30 H new ATOM 0 HA LEU C1917 8.746 3.158 9.139 1.00 0.30 H new ATOM 0 HB2 LEU C1917 6.855 1.453 9.099 1.00 0.42 H new ATOM 0 HB3 LEU C1917 6.281 2.239 7.642 1.00 0.42 H new ATOM 0 HG LEU C1917 9.055 1.085 7.947 1.00 0.57 H new ATOM 0 HD11 LEU C1917 8.257 -0.805 6.569 1.00 1.25 H new ATOM 0 HD12 LEU C1917 7.408 -0.710 8.130 1.00 1.25 H new ATOM 0 HD13 LEU C1917 6.606 -0.146 6.645 1.00 1.25 H new ATOM 0 HD21 LEU C1917 9.044 1.162 5.474 1.00 1.16 H new ATOM 0 HD22 LEU C1917 7.425 1.901 5.521 1.00 1.16 H new ATOM 0 HD23 LEU C1917 8.822 2.775 6.193 1.00 1.16 H new ATOM 317 N LYS C1918 6.911 5.008 7.100 1.00 0.28 N ATOM 318 CA LYS C1918 7.083 5.937 5.990 1.00 0.29 C ATOM 319 C LYS C1918 7.924 7.137 6.449 1.00 0.32 C ATOM 320 O LYS C1918 8.388 7.941 5.641 1.00 0.38 O ATOM 321 CB LYS C1918 5.737 6.362 5.371 1.00 0.39 C ATOM 322 CG LYS C1918 5.309 7.778 5.667 1.00 0.29 C ATOM 323 CD LYS C1918 4.776 7.889 7.084 1.00 0.40 C ATOM 324 CE LYS C1918 4.707 9.322 7.546 1.00 0.69 C ATOM 325 NZ LYS C1918 3.569 10.073 6.940 1.00 1.36 N ATOM 0 H LYS C1918 5.959 4.919 7.455 1.00 0.28 H new ATOM 0 HA LYS C1918 7.621 5.428 5.191 1.00 0.29 H new ATOM 0 HB2 LYS C1918 5.798 6.237 4.290 1.00 0.39 H new ATOM 0 HB3 LYS C1918 4.962 5.684 5.727 1.00 0.39 H new ATOM 0 HG2 LYS C1918 6.154 8.454 5.536 1.00 0.29 H new ATOM 0 HG3 LYS C1918 4.541 8.087 4.958 1.00 0.29 H new ATOM 0 HD2 LYS C1918 3.783 7.443 7.135 1.00 0.40 H new ATOM 0 HD3 LYS C1918 5.416 7.320 7.759 1.00 0.40 H new ATOM 0 HE2 LYS C1918 4.613 9.344 8.632 1.00 0.69 H new ATOM 0 HE3 LYS C1918 5.641 9.824 7.296 1.00 0.69 H new ATOM 0 HZ1 LYS C1918 3.667 11.086 7.156 1.00 1.36 H new ATOM 0 HZ2 LYS C1918 3.573 9.937 5.909 1.00 1.36 H new ATOM 0 HZ3 LYS C1918 2.673 9.721 7.332 1.00 1.36 H new ATOM 339 N ASN C1919 8.127 7.221 7.764 1.00 0.31 N ATOM 340 CA ASN C1919 8.992 8.232 8.354 1.00 0.33 C ATOM 341 C ASN C1919 10.439 7.733 8.392 1.00 0.32 C ATOM 342 O ASN C1919 11.370 8.504 8.153 1.00 0.41 O ATOM 343 CB ASN C1919 8.524 8.584 9.772 1.00 0.37 C ATOM 344 CG ASN C1919 9.263 9.775 10.356 1.00 0.43 C ATOM 345 OD1 ASN C1919 9.645 10.698 9.634 1.00 1.05 O ATOM 346 ND2 ASN C1919 9.471 9.764 11.662 1.00 1.15 N ATOM 0 H ASN C1919 7.698 6.592 8.443 1.00 0.31 H new ATOM 0 HA ASN C1919 8.940 9.129 7.737 1.00 0.33 H new ATOM 0 HB2 ASN C1919 7.455 8.798 9.754 1.00 0.37 H new ATOM 0 HB3 ASN C1919 8.665 7.720 10.421 1.00 0.37 H new ATOM 0 HD21 ASN C1919 9.964 10.539 12.106 1.00 1.15 H new ATOM 0 HD22 ASN C1919 9.139 8.981 12.225 1.00 1.15 H new ATOM 353 N LYS C1920 10.633 6.436 8.660 1.00 0.28 N ATOM 354 CA LYS C1920 11.973 5.868 8.702 1.00 0.37 C ATOM 355 C LYS C1920 12.530 5.758 7.298 1.00 0.41 C ATOM 356 O LYS C1920 13.729 5.928 7.079 1.00 0.53 O ATOM 357 CB LYS C1920 12.025 4.500 9.429 1.00 0.48 C ATOM 358 CG LYS C1920 10.801 3.596 9.256 1.00 0.33 C ATOM 359 CD LYS C1920 10.940 2.307 10.048 1.00 0.44 C ATOM 360 CE LYS C1920 10.905 2.561 11.547 1.00 1.36 C ATOM 361 NZ LYS C1920 11.038 1.298 12.319 1.00 1.64 N ATOM 0 H LYS C1920 9.883 5.771 8.848 1.00 0.28 H new ATOM 0 HA LYS C1920 12.596 6.546 9.286 1.00 0.37 H new ATOM 0 HB2 LYS C1920 12.903 3.958 9.078 1.00 0.48 H new ATOM 0 HB3 LYS C1920 12.168 4.683 10.494 1.00 0.48 H new ATOM 0 HG2 LYS C1920 9.907 4.128 9.580 1.00 0.33 H new ATOM 0 HG3 LYS C1920 10.667 3.362 8.200 1.00 0.33 H new ATOM 0 HD2 LYS C1920 10.135 1.624 9.776 1.00 0.44 H new ATOM 0 HD3 LYS C1920 11.877 1.817 9.784 1.00 0.44 H new ATOM 0 HE2 LYS C1920 11.711 3.242 11.820 1.00 1.36 H new ATOM 0 HE3 LYS C1920 9.969 3.053 11.812 1.00 1.36 H new ATOM 0 HZ1 LYS C1920 11.010 1.509 13.337 1.00 1.64 H new ATOM 0 HZ2 LYS C1920 10.255 0.659 12.076 1.00 1.64 H new ATOM 0 HZ3 LYS C1920 11.943 0.842 12.085 1.00 1.64 H new ATOM 375 N LEU C1921 11.654 5.517 6.338 1.00 0.38 N ATOM 376 CA LEU C1921 12.069 5.450 4.949 1.00 0.46 C ATOM 377 C LEU C1921 12.456 6.830 4.440 1.00 0.59 C ATOM 378 O LEU C1921 13.211 6.966 3.486 1.00 0.92 O ATOM 379 CB LEU C1921 10.970 4.854 4.068 1.00 0.44 C ATOM 380 CG LEU C1921 10.483 3.469 4.489 1.00 0.38 C ATOM 381 CD1 LEU C1921 9.711 2.803 3.366 1.00 0.40 C ATOM 382 CD2 LEU C1921 11.638 2.588 4.926 1.00 0.48 C ATOM 0 H LEU C1921 10.657 5.365 6.494 1.00 0.38 H new ATOM 0 HA LEU C1921 12.939 4.796 4.895 1.00 0.46 H new ATOM 0 HB2 LEU C1921 10.119 5.536 4.064 1.00 0.44 H new ATOM 0 HB3 LEU C1921 11.338 4.797 3.044 1.00 0.44 H new ATOM 0 HG LEU C1921 9.815 3.601 5.340 1.00 0.38 H new ATOM 0 HD11 LEU C1921 9.375 1.818 3.690 1.00 0.40 H new ATOM 0 HD12 LEU C1921 8.847 3.414 3.106 1.00 0.40 H new ATOM 0 HD13 LEU C1921 10.356 2.697 2.494 1.00 0.40 H new ATOM 0 HD21 LEU C1921 11.258 1.609 5.219 1.00 0.48 H new ATOM 0 HD22 LEU C1921 12.340 2.472 4.100 1.00 0.48 H new ATOM 0 HD23 LEU C1921 12.147 3.049 5.773 1.00 0.48 H new ATOM 394 N ARG C1922 11.944 7.856 5.090 1.00 0.49 N ATOM 395 CA ARG C1922 12.215 9.214 4.672 1.00 0.66 C ATOM 396 C ARG C1922 13.281 9.860 5.557 1.00 0.65 C ATOM 397 O ARG C1922 13.585 11.045 5.414 1.00 0.78 O ATOM 398 CB ARG C1922 10.929 10.018 4.678 1.00 0.87 C ATOM 399 CG ARG C1922 10.935 11.142 3.666 1.00 1.15 C ATOM 400 CD ARG C1922 9.530 11.477 3.230 1.00 1.07 C ATOM 401 NE ARG C1922 8.690 11.897 4.349 1.00 1.64 N ATOM 402 CZ ARG C1922 7.921 12.978 4.322 1.00 2.45 C ATOM 403 NH1 ARG C1922 7.944 13.778 3.266 1.00 2.92 N ATOM 404 NH2 ARG C1922 7.152 13.276 5.359 1.00 3.23 N ATOM 0 H ARG C1922 11.340 7.774 5.908 1.00 0.49 H new ATOM 0 HA ARG C1922 12.609 9.198 3.656 1.00 0.66 H new ATOM 0 HB2 ARG C1922 10.090 9.354 4.471 1.00 0.87 H new ATOM 0 HB3 ARG C1922 10.770 10.432 5.673 1.00 0.87 H new ATOM 0 HG2 ARG C1922 11.407 12.024 4.098 1.00 1.15 H new ATOM 0 HG3 ARG C1922 11.531 10.854 2.800 1.00 1.15 H new ATOM 0 HD2 ARG C1922 9.563 12.271 2.484 1.00 1.07 H new ATOM 0 HD3 ARG C1922 9.083 10.607 2.749 1.00 1.07 H new ATOM 0 HE ARG C1922 8.695 11.329 5.196 1.00 1.64 H new ATOM 0 HH11 ARG C1922 8.552 13.562 2.476 1.00 2.92 H new ATOM 0 HH12 ARG C1922 7.354 14.609 3.243 1.00 2.92 H new ATOM 0 HH21 ARG C1922 7.150 12.674 6.182 1.00 3.23 H new ATOM 0 HH22 ARG C1922 6.562 14.108 5.334 1.00 3.23 H new ATOM 418 N ARG C1923 13.817 9.068 6.486 1.00 0.58 N ATOM 419 CA ARG C1923 14.878 9.511 7.392 1.00 0.73 C ATOM 420 C ARG C1923 15.997 10.222 6.629 1.00 1.24 C ATOM 421 O ARG C1923 16.338 11.365 6.930 1.00 2.11 O ATOM 422 CB ARG C1923 15.440 8.297 8.147 1.00 0.81 C ATOM 423 CG ARG C1923 16.654 8.593 9.016 1.00 1.13 C ATOM 424 CD ARG C1923 16.322 9.526 10.167 1.00 1.55 C ATOM 425 NE ARG C1923 17.464 9.703 11.061 1.00 2.40 N ATOM 426 CZ ARG C1923 17.493 10.556 12.082 1.00 3.28 C ATOM 427 NH1 ARG C1923 16.442 11.323 12.348 1.00 3.55 N ATOM 428 NH2 ARG C1923 18.576 10.632 12.845 1.00 4.28 N ATOM 0 H ARG C1923 13.528 8.101 6.632 1.00 0.58 H new ATOM 0 HA ARG C1923 14.456 10.223 8.102 1.00 0.73 H new ATOM 0 HB2 ARG C1923 14.653 7.882 8.776 1.00 0.81 H new ATOM 0 HB3 ARG C1923 15.708 7.528 7.422 1.00 0.81 H new ATOM 0 HG2 ARG C1923 17.052 7.659 9.411 1.00 1.13 H new ATOM 0 HG3 ARG C1923 17.437 9.039 8.403 1.00 1.13 H new ATOM 0 HD2 ARG C1923 16.013 10.495 9.774 1.00 1.55 H new ATOM 0 HD3 ARG C1923 15.478 9.126 10.729 1.00 1.55 H new ATOM 0 HE ARG C1923 18.294 9.135 10.891 1.00 2.40 H new ATOM 0 HH11 ARG C1923 15.605 11.261 11.768 1.00 3.55 H new ATOM 0 HH12 ARG C1923 16.472 11.974 13.132 1.00 3.55 H new ATOM 0 HH21 ARG C1923 19.382 10.038 12.648 1.00 4.28 H new ATOM 0 HH22 ARG C1923 18.603 11.284 13.629 1.00 4.28 H new ATOM 442 N GLY C1924 16.560 9.536 5.644 1.00 1.22 N ATOM 443 CA GLY C1924 17.611 10.119 4.833 1.00 1.93 C ATOM 444 C GLY C1924 18.767 9.166 4.711 1.00 1.43 C ATOM 445 O GLY C1924 19.628 9.300 3.840 1.00 1.98 O ATOM 0 H GLY C1924 16.306 8.581 5.391 1.00 1.22 H new ATOM 0 HA2 GLY C1924 17.224 10.360 3.843 1.00 1.93 H new ATOM 0 HA3 GLY C1924 17.948 11.054 5.280 1.00 1.93 H new ATOM 449 N ASP C1925 18.779 8.202 5.613 1.00 0.81 N ATOM 450 CA ASP C1925 19.723 7.104 5.565 1.00 1.16 C ATOM 451 C ASP C1925 19.261 6.065 4.558 1.00 0.95 C ATOM 452 O ASP C1925 20.049 5.262 4.061 1.00 1.23 O ATOM 453 CB ASP C1925 19.858 6.480 6.950 1.00 1.89 C ATOM 454 CG ASP C1925 20.639 7.354 7.902 1.00 2.48 C ATOM 455 OD1 ASP C1925 20.045 8.283 8.486 1.00 2.98 O ATOM 456 OD2 ASP C1925 21.852 7.122 8.061 1.00 2.71 O ATOM 0 H ASP C1925 18.132 8.160 6.401 1.00 0.81 H new ATOM 0 HA ASP C1925 20.697 7.481 5.252 1.00 1.16 H new ATOM 0 HB2 ASP C1925 18.865 6.296 7.361 1.00 1.89 H new ATOM 0 HB3 ASP C1925 20.351 5.512 6.863 1.00 1.89 H new ATOM 461 N LEU C1926 17.965 6.085 4.277 1.00 0.64 N ATOM 462 CA LEU C1926 17.373 5.218 3.279 1.00 0.60 C ATOM 463 C LEU C1926 17.933 5.481 1.886 1.00 0.54 C ATOM 464 O LEU C1926 18.151 6.628 1.492 1.00 0.72 O ATOM 465 CB LEU C1926 15.864 5.424 3.251 1.00 0.93 C ATOM 466 CG LEU C1926 15.017 4.368 3.962 1.00 0.48 C ATOM 467 CD1 LEU C1926 13.997 3.822 2.982 1.00 0.56 C ATOM 468 CD2 LEU C1926 15.868 3.235 4.518 1.00 0.57 C ATOM 0 H LEU C1926 17.298 6.705 4.737 1.00 0.64 H new ATOM 0 HA LEU C1926 17.616 4.192 3.555 1.00 0.60 H new ATOM 0 HB2 LEU C1926 15.644 6.394 3.697 1.00 0.93 H new ATOM 0 HB3 LEU C1926 15.546 5.472 2.210 1.00 0.93 H new ATOM 0 HG LEU C1926 14.517 4.838 4.809 1.00 0.48 H new ATOM 0 HD11 LEU C1926 13.385 3.067 3.476 1.00 0.56 H new ATOM 0 HD12 LEU C1926 13.359 4.633 2.631 1.00 0.56 H new ATOM 0 HD13 LEU C1926 14.512 3.373 2.133 1.00 0.56 H new ATOM 0 HD21 LEU C1926 15.226 2.508 5.015 1.00 0.57 H new ATOM 0 HD22 LEU C1926 16.404 2.749 3.703 1.00 0.57 H new ATOM 0 HD23 LEU C1926 16.584 3.636 5.235 1.00 0.57 H new ATOM 480 N PRO C1927 18.154 4.405 1.121 1.00 0.46 N ATOM 481 CA PRO C1927 18.596 4.494 -0.268 1.00 0.55 C ATOM 482 C PRO C1927 17.437 4.731 -1.228 1.00 0.63 C ATOM 483 O PRO C1927 17.640 4.854 -2.435 1.00 1.12 O ATOM 484 CB PRO C1927 19.193 3.115 -0.517 1.00 0.54 C ATOM 485 CG PRO C1927 18.396 2.201 0.347 1.00 0.44 C ATOM 486 CD PRO C1927 18.009 3.004 1.562 1.00 0.41 C ATOM 0 HA PRO C1927 19.284 5.324 -0.429 1.00 0.55 H new ATOM 0 HB2 PRO C1927 19.118 2.834 -1.567 1.00 0.54 H new ATOM 0 HB3 PRO C1927 20.251 3.087 -0.255 1.00 0.54 H new ATOM 0 HG2 PRO C1927 17.512 1.840 -0.179 1.00 0.44 H new ATOM 0 HG3 PRO C1927 18.979 1.324 0.629 1.00 0.44 H new ATOM 0 HD2 PRO C1927 16.988 2.787 1.876 1.00 0.41 H new ATOM 0 HD3 PRO C1927 18.657 2.783 2.410 1.00 0.41 H new ATOM 494 N PHE C1928 16.226 4.785 -0.687 1.00 0.30 N ATOM 495 CA PHE C1928 15.038 4.884 -1.511 1.00 0.27 C ATOM 496 C PHE C1928 14.024 5.819 -0.881 1.00 0.27 C ATOM 497 O PHE C1928 13.866 5.833 0.338 1.00 0.31 O ATOM 498 CB PHE C1928 14.465 3.478 -1.750 1.00 0.24 C ATOM 499 CG PHE C1928 13.208 3.117 -1.029 1.00 0.23 C ATOM 500 CD1 PHE C1928 12.032 3.808 -1.231 1.00 0.30 C ATOM 501 CD2 PHE C1928 13.207 2.048 -0.172 1.00 0.26 C ATOM 502 CE1 PHE C1928 10.889 3.447 -0.583 1.00 0.33 C ATOM 503 CE2 PHE C1928 12.059 1.670 0.476 1.00 0.29 C ATOM 504 CZ PHE C1928 10.900 2.374 0.268 1.00 0.27 C ATOM 0 H PHE C1928 16.046 4.762 0.317 1.00 0.30 H new ATOM 0 HA PHE C1928 15.297 5.312 -2.479 1.00 0.27 H new ATOM 0 HB2 PHE C1928 14.285 3.365 -2.819 1.00 0.24 H new ATOM 0 HB3 PHE C1928 15.230 2.751 -1.477 1.00 0.24 H new ATOM 0 HD1 PHE C1928 12.017 4.646 -1.912 1.00 0.30 H new ATOM 0 HD2 PHE C1928 14.121 1.497 -0.005 1.00 0.26 H new ATOM 0 HE1 PHE C1928 9.978 4.005 -0.740 1.00 0.33 H new ATOM 0 HE2 PHE C1928 12.067 0.823 1.146 1.00 0.29 H new ATOM 0 HZ PHE C1928 9.994 2.081 0.777 1.00 0.27 H new ATOM 514 N VAL C1929 13.323 6.564 -1.741 1.00 0.25 N ATOM 515 CA VAL C1929 12.378 7.602 -1.335 1.00 0.25 C ATOM 516 C VAL C1929 11.548 8.054 -2.519 1.00 0.25 C ATOM 517 O VAL C1929 11.918 7.828 -3.666 1.00 0.27 O ATOM 518 CB VAL C1929 13.104 8.843 -0.819 1.00 0.29 C ATOM 519 CG1 VAL C1929 13.592 8.638 0.590 1.00 0.62 C ATOM 520 CG2 VAL C1929 14.250 9.142 -1.756 1.00 0.62 C ATOM 0 H VAL C1929 13.399 6.459 -2.753 1.00 0.25 H new ATOM 0 HA VAL C1929 11.756 7.168 -0.553 1.00 0.25 H new ATOM 0 HB VAL C1929 12.418 9.690 -0.794 1.00 0.29 H new ATOM 0 HG11 VAL C1929 14.105 9.537 0.932 1.00 0.62 H new ATOM 0 HG12 VAL C1929 12.743 8.434 1.243 1.00 0.62 H new ATOM 0 HG13 VAL C1929 14.282 7.794 0.617 1.00 0.62 H new ATOM 0 HG21 VAL C1929 14.784 10.026 -1.407 1.00 0.62 H new ATOM 0 HG22 VAL C1929 14.932 8.292 -1.780 1.00 0.62 H new ATOM 0 HG23 VAL C1929 13.862 9.324 -2.758 1.00 0.62 H new ATOM 530 N VAL C1930 10.455 8.735 -2.240 1.00 0.26 N ATOM 531 CA VAL C1930 9.643 9.308 -3.295 1.00 0.26 C ATOM 532 C VAL C1930 10.281 10.594 -3.817 1.00 0.29 C ATOM 533 O VAL C1930 10.561 11.520 -3.050 1.00 0.32 O ATOM 534 CB VAL C1930 8.214 9.612 -2.816 1.00 0.28 C ATOM 535 CG1 VAL C1930 7.346 10.109 -3.972 1.00 0.34 C ATOM 536 CG2 VAL C1930 7.614 8.379 -2.169 1.00 0.32 C ATOM 0 H VAL C1930 10.109 8.905 -1.296 1.00 0.26 H new ATOM 0 HA VAL C1930 9.587 8.569 -4.095 1.00 0.26 H new ATOM 0 HB VAL C1930 8.254 10.408 -2.072 1.00 0.28 H new ATOM 0 HG11 VAL C1930 6.340 10.317 -3.608 1.00 0.34 H new ATOM 0 HG12 VAL C1930 7.778 11.020 -4.386 1.00 0.34 H new ATOM 0 HG13 VAL C1930 7.300 9.344 -4.748 1.00 0.34 H new ATOM 0 HG21 VAL C1930 6.602 8.601 -1.832 1.00 0.32 H new ATOM 0 HG22 VAL C1930 7.585 7.565 -2.894 1.00 0.32 H new ATOM 0 HG23 VAL C1930 8.224 8.083 -1.316 1.00 0.32 H new ATOM 546 N PRO C1931 10.553 10.641 -5.125 1.00 0.34 N ATOM 547 CA PRO C1931 11.065 11.832 -5.808 1.00 0.42 C ATOM 548 C PRO C1931 10.068 12.992 -5.784 1.00 0.45 C ATOM 549 O PRO C1931 8.945 12.840 -5.300 1.00 0.45 O ATOM 550 CB PRO C1931 11.311 11.359 -7.244 1.00 0.56 C ATOM 551 CG PRO C1931 10.476 10.139 -7.404 1.00 0.48 C ATOM 552 CD PRO C1931 10.397 9.505 -6.045 1.00 0.36 C ATOM 0 HA PRO C1931 11.961 12.219 -5.322 1.00 0.42 H new ATOM 0 HB2 PRO C1931 11.028 12.126 -7.965 1.00 0.56 H new ATOM 0 HB3 PRO C1931 12.365 11.139 -7.410 1.00 0.56 H new ATOM 0 HG2 PRO C1931 9.482 10.393 -7.774 1.00 0.48 H new ATOM 0 HG3 PRO C1931 10.920 9.455 -8.127 1.00 0.48 H new ATOM 0 HD2 PRO C1931 9.445 8.995 -5.895 1.00 0.36 H new ATOM 0 HD3 PRO C1931 11.182 8.763 -5.902 1.00 0.36 H new ATOM 560 N ARG C1932 10.513 14.154 -6.279 1.00 0.54 N ATOM 561 CA ARG C1932 9.698 15.377 -6.345 1.00 0.70 C ATOM 562 C ARG C1932 8.238 15.091 -6.710 1.00 0.89 C ATOM 563 O ARG C1932 7.319 15.706 -6.166 1.00 1.79 O ATOM 564 CB ARG C1932 10.309 16.340 -7.370 1.00 0.83 C ATOM 565 CG ARG C1932 9.528 17.631 -7.565 1.00 1.53 C ATOM 566 CD ARG C1932 9.608 18.534 -6.346 1.00 2.00 C ATOM 567 NE ARG C1932 8.823 19.756 -6.529 1.00 2.79 N ATOM 568 CZ ARG C1932 9.209 20.962 -6.114 1.00 3.62 C ATOM 569 NH1 ARG C1932 10.369 21.115 -5.487 1.00 3.88 N ATOM 570 NH2 ARG C1932 8.430 22.015 -6.325 1.00 4.56 N ATOM 0 H ARG C1932 11.456 14.274 -6.648 1.00 0.54 H new ATOM 0 HA ARG C1932 9.699 15.826 -5.352 1.00 0.70 H new ATOM 0 HB2 ARG C1932 11.324 16.587 -7.058 1.00 0.83 H new ATOM 0 HB3 ARG C1932 10.387 15.828 -8.329 1.00 0.83 H new ATOM 0 HG2 ARG C1932 9.915 18.161 -8.435 1.00 1.53 H new ATOM 0 HG3 ARG C1932 8.484 17.395 -7.774 1.00 1.53 H new ATOM 0 HD2 ARG C1932 9.246 17.996 -5.470 1.00 2.00 H new ATOM 0 HD3 ARG C1932 10.649 18.795 -6.153 1.00 2.00 H new ATOM 0 HE ARG C1932 7.924 19.679 -7.004 1.00 2.79 H new ATOM 0 HH11 ARG C1932 10.969 20.307 -5.321 1.00 3.88 H new ATOM 0 HH12 ARG C1932 10.660 22.040 -5.171 1.00 3.88 H new ATOM 0 HH21 ARG C1932 7.537 21.901 -6.804 1.00 4.56 H new ATOM 0 HH22 ARG C1932 8.724 22.939 -6.008 1.00 4.56 H new ATOM 584 N ARG C1933 8.039 14.162 -7.628 1.00 0.74 N ATOM 585 CA ARG C1933 6.711 13.734 -8.025 1.00 0.76 C ATOM 586 C ARG C1933 6.736 12.241 -8.317 1.00 0.65 C ATOM 587 O ARG C1933 7.728 11.577 -8.026 1.00 0.69 O ATOM 588 CB ARG C1933 6.242 14.521 -9.255 1.00 0.95 C ATOM 589 CG ARG C1933 7.211 14.465 -10.426 1.00 1.66 C ATOM 590 CD ARG C1933 6.668 15.202 -11.639 1.00 1.80 C ATOM 591 NE ARG C1933 6.430 16.621 -11.365 1.00 2.56 N ATOM 592 CZ ARG C1933 5.245 17.214 -11.497 1.00 2.86 C ATOM 593 NH1 ARG C1933 4.190 16.510 -11.892 1.00 2.53 N ATOM 594 NH2 ARG C1933 5.117 18.510 -11.241 1.00 3.92 N ATOM 0 H ARG C1933 8.794 13.683 -8.119 1.00 0.74 H new ATOM 0 HA ARG C1933 6.007 13.929 -7.216 1.00 0.76 H new ATOM 0 HB2 ARG C1933 5.276 14.133 -9.576 1.00 0.95 H new ATOM 0 HB3 ARG C1933 6.089 15.562 -8.972 1.00 0.95 H new ATOM 0 HG2 ARG C1933 8.165 14.903 -10.131 1.00 1.66 H new ATOM 0 HG3 ARG C1933 7.405 13.425 -10.689 1.00 1.66 H new ATOM 0 HD2 ARG C1933 7.373 15.107 -12.465 1.00 1.80 H new ATOM 0 HD3 ARG C1933 5.737 14.735 -11.959 1.00 1.80 H new ATOM 0 HE ARG C1933 7.219 17.189 -11.055 1.00 2.56 H new ATOM 0 HH11 ARG C1933 4.288 15.515 -12.094 1.00 2.53 H new ATOM 0 HH12 ARG C1933 3.282 16.964 -11.993 1.00 2.53 H new ATOM 0 HH21 ARG C1933 5.927 19.053 -10.943 1.00 3.92 H new ATOM 0 HH22 ARG C1933 4.209 18.963 -11.343 1.00 3.92 H new ATOM 608 N MET C1934 5.660 11.712 -8.889 1.00 0.70 N ATOM 609 CA MET C1934 5.631 10.308 -9.290 1.00 0.73 C ATOM 610 C MET C1934 6.675 10.071 -10.371 1.00 0.84 C ATOM 611 O MET C1934 7.221 8.973 -10.499 1.00 1.02 O ATOM 612 CB MET C1934 4.243 9.916 -9.802 1.00 0.81 C ATOM 613 CG MET C1934 3.149 9.954 -8.744 1.00 0.89 C ATOM 614 SD MET C1934 3.009 8.424 -7.791 1.00 1.18 S ATOM 615 CE MET C1934 4.451 8.477 -6.729 1.00 0.55 C ATOM 0 H MET C1934 4.802 12.228 -9.085 1.00 0.70 H new ATOM 0 HA MET C1934 5.857 9.689 -8.422 1.00 0.73 H new ATOM 0 HB2 MET C1934 3.967 10.585 -10.617 1.00 0.81 H new ATOM 0 HB3 MET C1934 4.294 8.910 -10.219 1.00 0.81 H new ATOM 0 HG2 MET C1934 3.344 10.781 -8.061 1.00 0.89 H new ATOM 0 HG3 MET C1934 2.194 10.159 -9.228 1.00 0.89 H new ATOM 0 HE1 MET C1934 4.443 7.616 -6.061 1.00 0.55 H new ATOM 0 HE2 MET C1934 5.354 8.454 -7.340 1.00 0.55 H new ATOM 0 HE3 MET C1934 4.435 9.393 -6.139 1.00 0.55 H new ATOM 625 N ALA C1935 6.928 11.130 -11.140 1.00 0.93 N ATOM 626 CA ALA C1935 7.991 11.161 -12.135 1.00 1.04 C ATOM 627 C ALA C1935 7.815 10.060 -13.173 1.00 1.66 C ATOM 628 O ALA C1935 8.688 9.173 -13.273 1.00 2.07 O ATOM 629 CB ALA C1935 9.352 11.078 -11.448 1.00 1.04 C ATOM 630 OXT ALA C1935 6.786 10.080 -13.882 1.00 2.38 O ATOM 0 H ALA C1935 6.394 11.997 -11.086 1.00 0.93 H new ATOM 0 HA ALA C1935 7.936 12.108 -12.671 1.00 1.04 H new ATOM 0 HB1 ALA C1935 10.141 11.102 -12.200 1.00 1.04 H new ATOM 0 HB2 ALA C1935 9.470 11.924 -10.771 1.00 1.04 H new ATOM 0 HB3 ALA C1935 9.418 10.149 -10.882 1.00 1.04 H new TER 636 ALA C1935 ATOM 637 N MET A 1 1.943 -5.682 -20.106 1.00 1.37 N ATOM 638 CA MET A 1 1.465 -5.076 -18.845 1.00 0.72 C ATOM 639 C MET A 1 2.168 -3.750 -18.589 1.00 0.58 C ATOM 640 O MET A 1 3.172 -3.435 -19.231 1.00 0.77 O ATOM 641 CB MET A 1 1.728 -6.019 -17.664 1.00 1.65 C ATOM 642 CG MET A 1 0.939 -7.317 -17.714 1.00 2.36 C ATOM 643 SD MET A 1 -0.843 -7.056 -17.608 1.00 3.50 S ATOM 644 CE MET A 1 -1.431 -8.748 -17.663 1.00 4.47 C ATOM 0 H1 MET A 1 1.138 -5.830 -20.747 1.00 1.37 H new ATOM 0 H2 MET A 1 2.633 -5.047 -20.557 1.00 1.37 H new ATOM 0 H3 MET A 1 2.395 -6.596 -19.902 1.00 1.37 H new ATOM 0 HA MET A 1 0.393 -4.904 -18.940 1.00 0.72 H new ATOM 0 HB2 MET A 1 2.792 -6.255 -17.632 1.00 1.65 H new ATOM 0 HB3 MET A 1 1.489 -5.497 -16.737 1.00 1.65 H new ATOM 0 HG2 MET A 1 1.170 -7.842 -18.641 1.00 2.36 H new ATOM 0 HG3 MET A 1 1.257 -7.962 -16.895 1.00 2.36 H new ATOM 0 HE1 MET A 1 -2.520 -8.757 -17.607 1.00 4.47 H new ATOM 0 HE2 MET A 1 -1.112 -9.214 -18.595 1.00 4.47 H new ATOM 0 HE3 MET A 1 -1.020 -9.304 -16.820 1.00 4.47 H new ATOM 654 N ALA A 2 1.628 -2.975 -17.656 1.00 0.37 N ATOM 655 CA ALA A 2 2.294 -1.774 -17.178 1.00 0.33 C ATOM 656 C ALA A 2 3.319 -2.178 -16.132 1.00 0.30 C ATOM 657 O ALA A 2 3.372 -3.348 -15.756 1.00 0.39 O ATOM 658 CB ALA A 2 1.282 -0.803 -16.584 1.00 0.33 C ATOM 0 H ALA A 2 0.727 -3.160 -17.215 1.00 0.37 H new ATOM 0 HA ALA A 2 2.790 -1.271 -18.008 1.00 0.33 H new ATOM 0 HB1 ALA A 2 1.798 0.090 -16.231 1.00 0.33 H new ATOM 0 HB2 ALA A 2 0.554 -0.524 -17.346 1.00 0.33 H new ATOM 0 HB3 ALA A 2 0.768 -1.279 -15.749 1.00 0.33 H new ATOM 664 N CYS A 3 4.137 -1.238 -15.671 1.00 0.29 N ATOM 665 CA CYS A 3 5.067 -1.513 -14.590 1.00 0.27 C ATOM 666 C CYS A 3 4.281 -1.758 -13.309 1.00 0.22 C ATOM 667 O CYS A 3 3.775 -0.820 -12.689 1.00 0.21 O ATOM 668 CB CYS A 3 6.043 -0.351 -14.421 1.00 0.32 C ATOM 669 SG CYS A 3 6.967 0.053 -15.921 1.00 0.43 S ATOM 0 H CYS A 3 4.173 -0.284 -16.029 1.00 0.29 H new ATOM 0 HA CYS A 3 5.650 -2.403 -14.824 1.00 0.27 H new ATOM 0 HB2 CYS A 3 5.490 0.531 -14.098 1.00 0.32 H new ATOM 0 HB3 CYS A 3 6.748 -0.594 -13.626 1.00 0.32 H new ATOM 0 HG CYS A 3 7.766 1.050 -15.683 1.00 0.43 H new ATOM 675 N PRO A 4 4.164 -3.029 -12.911 1.00 0.20 N ATOM 676 CA PRO A 4 3.223 -3.461 -11.871 1.00 0.18 C ATOM 677 C PRO A 4 3.443 -2.774 -10.529 1.00 0.16 C ATOM 678 O PRO A 4 2.582 -2.026 -10.060 1.00 0.16 O ATOM 679 CB PRO A 4 3.525 -4.956 -11.740 1.00 0.21 C ATOM 680 CG PRO A 4 4.127 -5.337 -13.044 1.00 0.24 C ATOM 681 CD PRO A 4 4.952 -4.157 -13.441 1.00 0.24 C ATOM 0 HA PRO A 4 2.195 -3.219 -12.141 1.00 0.18 H new ATOM 0 HB2 PRO A 4 4.211 -5.150 -10.916 1.00 0.21 H new ATOM 0 HB3 PRO A 4 2.618 -5.527 -11.541 1.00 0.21 H new ATOM 0 HG2 PRO A 4 4.739 -6.234 -12.950 1.00 0.24 H new ATOM 0 HG3 PRO A 4 3.359 -5.551 -13.787 1.00 0.24 H new ATOM 0 HD2 PRO A 4 5.951 -4.195 -13.006 1.00 0.24 H new ATOM 0 HD3 PRO A 4 5.077 -4.093 -14.522 1.00 0.24 H new ATOM 689 N LEU A 5 4.602 -3.003 -9.931 1.00 0.16 N ATOM 690 CA LEU A 5 4.891 -2.466 -8.611 1.00 0.17 C ATOM 691 C LEU A 5 5.030 -0.951 -8.679 1.00 0.19 C ATOM 692 O LEU A 5 4.783 -0.253 -7.700 1.00 0.24 O ATOM 693 CB LEU A 5 6.162 -3.105 -8.042 1.00 0.17 C ATOM 694 CG LEU A 5 6.075 -3.587 -6.588 1.00 0.18 C ATOM 695 CD1 LEU A 5 5.930 -2.418 -5.632 1.00 0.20 C ATOM 696 CD2 LEU A 5 4.919 -4.558 -6.411 1.00 0.20 C ATOM 0 H LEU A 5 5.356 -3.556 -10.338 1.00 0.16 H new ATOM 0 HA LEU A 5 4.063 -2.705 -7.944 1.00 0.17 H new ATOM 0 HB2 LEU A 5 6.432 -3.954 -8.671 1.00 0.17 H new ATOM 0 HB3 LEU A 5 6.974 -2.382 -8.117 1.00 0.17 H new ATOM 0 HG LEU A 5 7.005 -4.106 -6.354 1.00 0.18 H new ATOM 0 HD11 LEU A 5 5.871 -2.790 -4.609 1.00 0.20 H new ATOM 0 HD12 LEU A 5 6.793 -1.759 -5.729 1.00 0.20 H new ATOM 0 HD13 LEU A 5 5.022 -1.864 -5.870 1.00 0.20 H new ATOM 0 HD21 LEU A 5 4.876 -4.887 -5.373 1.00 0.20 H new ATOM 0 HD22 LEU A 5 3.984 -4.063 -6.674 1.00 0.20 H new ATOM 0 HD23 LEU A 5 5.067 -5.422 -7.059 1.00 0.20 H new ATOM 708 N GLU A 6 5.399 -0.446 -9.851 1.00 0.19 N ATOM 709 CA GLU A 6 5.526 0.988 -10.047 1.00 0.23 C ATOM 710 C GLU A 6 4.167 1.655 -9.938 1.00 0.21 C ATOM 711 O GLU A 6 3.990 2.627 -9.199 1.00 0.25 O ATOM 712 CB GLU A 6 6.140 1.309 -11.411 1.00 0.32 C ATOM 713 CG GLU A 6 6.344 2.797 -11.650 1.00 0.47 C ATOM 714 CD GLU A 6 6.840 3.107 -13.046 1.00 0.90 C ATOM 715 OE1 GLU A 6 8.049 2.938 -13.302 1.00 1.78 O ATOM 716 OE2 GLU A 6 6.023 3.527 -13.897 1.00 1.39 O ATOM 0 H GLU A 6 5.614 -1.008 -10.675 1.00 0.19 H new ATOM 0 HA GLU A 6 6.186 1.372 -9.269 1.00 0.23 H new ATOM 0 HB2 GLU A 6 7.100 0.800 -11.497 1.00 0.32 H new ATOM 0 HB3 GLU A 6 5.496 0.908 -12.194 1.00 0.32 H new ATOM 0 HG2 GLU A 6 5.403 3.320 -11.480 1.00 0.47 H new ATOM 0 HG3 GLU A 6 7.058 3.182 -10.922 1.00 0.47 H new ATOM 723 N LYS A 7 3.201 1.113 -10.669 1.00 0.18 N ATOM 724 CA LYS A 7 1.866 1.673 -10.686 1.00 0.20 C ATOM 725 C LYS A 7 1.203 1.545 -9.322 1.00 0.17 C ATOM 726 O LYS A 7 0.396 2.379 -8.959 1.00 0.19 O ATOM 727 CB LYS A 7 1.006 1.015 -11.773 1.00 0.26 C ATOM 728 CG LYS A 7 1.433 1.387 -13.186 1.00 0.41 C ATOM 729 CD LYS A 7 0.283 1.980 -13.984 1.00 0.90 C ATOM 730 CE LYS A 7 -0.165 3.325 -13.424 1.00 0.83 C ATOM 731 NZ LYS A 7 0.875 4.377 -13.577 1.00 1.16 N ATOM 0 H LYS A 7 3.322 0.287 -11.255 1.00 0.18 H new ATOM 0 HA LYS A 7 1.953 2.734 -10.921 1.00 0.20 H new ATOM 0 HB2 LYS A 7 1.055 -0.068 -11.659 1.00 0.26 H new ATOM 0 HB3 LYS A 7 -0.035 1.304 -11.627 1.00 0.26 H new ATOM 0 HG2 LYS A 7 2.253 2.104 -13.141 1.00 0.41 H new ATOM 0 HG3 LYS A 7 1.812 0.502 -13.697 1.00 0.41 H new ATOM 0 HD2 LYS A 7 0.588 2.103 -15.023 1.00 0.90 H new ATOM 0 HD3 LYS A 7 -0.558 1.287 -13.979 1.00 0.90 H new ATOM 0 HE2 LYS A 7 -1.076 3.642 -13.932 1.00 0.83 H new ATOM 0 HE3 LYS A 7 -0.411 3.212 -12.368 1.00 0.83 H new ATOM 0 HZ1 LYS A 7 0.581 5.233 -13.064 1.00 1.16 H new ATOM 0 HZ2 LYS A 7 1.776 4.033 -13.189 1.00 1.16 H new ATOM 0 HZ3 LYS A 7 0.995 4.602 -14.585 1.00 1.16 H new ATOM 745 N ALA A 8 1.573 0.520 -8.561 1.00 0.18 N ATOM 746 CA ALA A 8 1.002 0.299 -7.232 1.00 0.19 C ATOM 747 C ALA A 8 1.024 1.568 -6.380 1.00 0.17 C ATOM 748 O ALA A 8 -0.005 1.972 -5.839 1.00 0.21 O ATOM 749 CB ALA A 8 1.740 -0.817 -6.518 1.00 0.20 C ATOM 0 H ALA A 8 2.267 -0.173 -8.840 1.00 0.18 H new ATOM 0 HA ALA A 8 -0.040 0.012 -7.372 1.00 0.19 H new ATOM 0 HB1 ALA A 8 1.303 -0.969 -5.531 1.00 0.20 H new ATOM 0 HB2 ALA A 8 1.657 -1.737 -7.097 1.00 0.20 H new ATOM 0 HB3 ALA A 8 2.791 -0.549 -6.412 1.00 0.20 H new ATOM 755 N LEU A 9 2.187 2.198 -6.268 1.00 0.14 N ATOM 756 CA LEU A 9 2.303 3.428 -5.482 1.00 0.14 C ATOM 757 C LEU A 9 1.756 4.610 -6.265 1.00 0.13 C ATOM 758 O LEU A 9 1.091 5.486 -5.709 1.00 0.16 O ATOM 759 CB LEU A 9 3.757 3.707 -5.076 1.00 0.15 C ATOM 760 CG LEU A 9 4.462 2.581 -4.316 1.00 0.16 C ATOM 761 CD1 LEU A 9 3.510 1.937 -3.331 1.00 0.19 C ATOM 762 CD2 LEU A 9 5.031 1.542 -5.264 1.00 0.15 C ATOM 0 H LEU A 9 3.055 1.886 -6.704 1.00 0.14 H new ATOM 0 HA LEU A 9 1.717 3.290 -4.573 1.00 0.14 H new ATOM 0 HB2 LEU A 9 4.330 3.927 -5.976 1.00 0.15 H new ATOM 0 HB3 LEU A 9 3.776 4.605 -4.458 1.00 0.15 H new ATOM 0 HG LEU A 9 5.296 3.018 -3.767 1.00 0.16 H new ATOM 0 HD11 LEU A 9 4.024 1.138 -2.797 1.00 0.19 H new ATOM 0 HD12 LEU A 9 3.163 2.685 -2.618 1.00 0.19 H new ATOM 0 HD13 LEU A 9 2.656 1.524 -3.868 1.00 0.19 H new ATOM 0 HD21 LEU A 9 5.524 0.757 -4.690 1.00 0.15 H new ATOM 0 HD22 LEU A 9 4.224 1.107 -5.854 1.00 0.15 H new ATOM 0 HD23 LEU A 9 5.754 2.014 -5.930 1.00 0.15 H new ATOM 774 N ASP A 10 2.034 4.608 -7.561 1.00 0.14 N ATOM 775 CA ASP A 10 1.598 5.667 -8.461 1.00 0.15 C ATOM 776 C ASP A 10 0.088 5.861 -8.402 1.00 0.15 C ATOM 777 O ASP A 10 -0.402 6.973 -8.225 1.00 0.18 O ATOM 778 CB ASP A 10 2.029 5.330 -9.893 1.00 0.19 C ATOM 779 CG ASP A 10 1.491 6.296 -10.931 1.00 0.48 C ATOM 780 OD1 ASP A 10 2.141 7.327 -11.185 1.00 1.19 O ATOM 781 OD2 ASP A 10 0.432 6.005 -11.530 1.00 1.18 O ATOM 0 H ASP A 10 2.569 3.871 -8.019 1.00 0.14 H new ATOM 0 HA ASP A 10 2.065 6.600 -8.145 1.00 0.15 H new ATOM 0 HB2 ASP A 10 3.118 5.324 -9.944 1.00 0.19 H new ATOM 0 HB3 ASP A 10 1.693 4.322 -10.137 1.00 0.19 H new ATOM 786 N VAL A 11 -0.642 4.765 -8.516 1.00 0.16 N ATOM 787 CA VAL A 11 -2.090 4.818 -8.614 1.00 0.18 C ATOM 788 C VAL A 11 -2.742 5.167 -7.285 1.00 0.18 C ATOM 789 O VAL A 11 -3.847 5.704 -7.268 1.00 0.23 O ATOM 790 CB VAL A 11 -2.673 3.497 -9.135 1.00 0.20 C ATOM 791 CG1 VAL A 11 -2.011 3.124 -10.448 1.00 0.23 C ATOM 792 CG2 VAL A 11 -2.522 2.388 -8.107 1.00 0.18 C ATOM 0 H VAL A 11 -0.253 3.823 -8.543 1.00 0.16 H new ATOM 0 HA VAL A 11 -2.314 5.610 -9.328 1.00 0.18 H new ATOM 0 HB VAL A 11 -3.740 3.631 -9.310 1.00 0.20 H new ATOM 0 HG11 VAL A 11 -2.429 2.186 -10.813 1.00 0.23 H new ATOM 0 HG12 VAL A 11 -2.189 3.910 -11.182 1.00 0.23 H new ATOM 0 HG13 VAL A 11 -0.938 3.008 -10.294 1.00 0.23 H new ATOM 0 HG21 VAL A 11 -2.944 1.464 -8.504 1.00 0.18 H new ATOM 0 HG22 VAL A 11 -1.465 2.239 -7.886 1.00 0.18 H new ATOM 0 HG23 VAL A 11 -3.049 2.664 -7.194 1.00 0.18 H new ATOM 802 N MET A 12 -2.066 4.869 -6.174 1.00 0.16 N ATOM 803 CA MET A 12 -2.601 5.214 -4.862 1.00 0.20 C ATOM 804 C MET A 12 -2.880 6.703 -4.792 1.00 0.24 C ATOM 805 O MET A 12 -3.939 7.122 -4.341 1.00 0.40 O ATOM 806 CB MET A 12 -1.648 4.832 -3.728 1.00 0.25 C ATOM 807 CG MET A 12 -1.472 3.340 -3.530 1.00 0.17 C ATOM 808 SD MET A 12 -0.844 2.948 -1.887 1.00 0.72 S ATOM 809 CE MET A 12 -0.651 1.181 -2.013 1.00 0.19 C ATOM 0 H MET A 12 -1.162 4.397 -6.158 1.00 0.16 H new ATOM 0 HA MET A 12 -3.523 4.647 -4.734 1.00 0.20 H new ATOM 0 HB2 MET A 12 -0.673 5.277 -3.925 1.00 0.25 H new ATOM 0 HB3 MET A 12 -2.016 5.268 -2.799 1.00 0.25 H new ATOM 0 HG2 MET A 12 -2.428 2.839 -3.682 1.00 0.17 H new ATOM 0 HG3 MET A 12 -0.785 2.953 -4.283 1.00 0.17 H new ATOM 0 HE1 MET A 12 -0.707 0.737 -1.019 1.00 0.19 H new ATOM 0 HE2 MET A 12 -1.444 0.772 -2.639 1.00 0.19 H new ATOM 0 HE3 MET A 12 0.317 0.952 -2.459 1.00 0.19 H new ATOM 819 N VAL A 13 -1.921 7.492 -5.252 1.00 0.17 N ATOM 820 CA VAL A 13 -2.059 8.936 -5.241 1.00 0.19 C ATOM 821 C VAL A 13 -2.658 9.461 -6.556 1.00 0.20 C ATOM 822 O VAL A 13 -3.168 10.579 -6.612 1.00 0.28 O ATOM 823 CB VAL A 13 -0.712 9.631 -4.955 1.00 0.18 C ATOM 824 CG1 VAL A 13 -0.128 9.156 -3.636 1.00 0.21 C ATOM 825 CG2 VAL A 13 0.278 9.413 -6.078 1.00 0.19 C ATOM 0 H VAL A 13 -1.039 7.154 -5.637 1.00 0.17 H new ATOM 0 HA VAL A 13 -2.749 9.179 -4.433 1.00 0.19 H new ATOM 0 HB VAL A 13 -0.907 10.701 -4.885 1.00 0.18 H new ATOM 0 HG11 VAL A 13 0.822 9.660 -3.456 1.00 0.21 H new ATOM 0 HG12 VAL A 13 -0.821 9.388 -2.827 1.00 0.21 H new ATOM 0 HG13 VAL A 13 0.035 8.079 -3.677 1.00 0.21 H new ATOM 0 HG21 VAL A 13 1.215 9.917 -5.840 1.00 0.19 H new ATOM 0 HG22 VAL A 13 0.461 8.345 -6.199 1.00 0.19 H new ATOM 0 HG23 VAL A 13 -0.128 9.819 -7.005 1.00 0.19 H new ATOM 835 N SER A 14 -2.594 8.654 -7.608 1.00 0.19 N ATOM 836 CA SER A 14 -3.138 9.037 -8.909 1.00 0.22 C ATOM 837 C SER A 14 -4.659 8.875 -8.931 1.00 0.24 C ATOM 838 O SER A 14 -5.396 9.846 -9.121 1.00 0.28 O ATOM 839 CB SER A 14 -2.492 8.196 -10.012 1.00 0.24 C ATOM 840 OG SER A 14 -3.005 8.520 -11.294 1.00 1.12 O ATOM 0 H SER A 14 -2.170 7.727 -7.587 1.00 0.19 H new ATOM 0 HA SER A 14 -2.909 10.088 -9.087 1.00 0.22 H new ATOM 0 HB2 SER A 14 -1.413 8.352 -10.003 1.00 0.24 H new ATOM 0 HB3 SER A 14 -2.663 7.139 -9.809 1.00 0.24 H new ATOM 0 HG SER A 14 -2.567 7.964 -11.972 1.00 1.12 H new ATOM 846 N THR A 15 -5.117 7.645 -8.715 1.00 0.25 N ATOM 847 CA THR A 15 -6.540 7.338 -8.644 1.00 0.28 C ATOM 848 C THR A 15 -7.185 8.126 -7.504 1.00 0.30 C ATOM 849 O THR A 15 -8.372 8.455 -7.539 1.00 0.33 O ATOM 850 CB THR A 15 -6.751 5.822 -8.448 1.00 0.28 C ATOM 851 OG1 THR A 15 -6.192 5.112 -9.565 1.00 0.34 O ATOM 852 CG2 THR A 15 -8.224 5.471 -8.308 1.00 0.26 C ATOM 0 H THR A 15 -4.512 6.835 -8.585 1.00 0.25 H new ATOM 0 HA THR A 15 -7.015 7.629 -9.581 1.00 0.28 H new ATOM 0 HB THR A 15 -6.248 5.530 -7.526 1.00 0.28 H new ATOM 0 HG1 THR A 15 -6.782 4.368 -9.808 1.00 0.34 H new ATOM 0 HG21 THR A 15 -8.330 4.395 -8.172 1.00 0.26 H new ATOM 0 HG22 THR A 15 -8.641 5.989 -7.444 1.00 0.26 H new ATOM 0 HG23 THR A 15 -8.758 5.777 -9.207 1.00 0.26 H new ATOM 860 N PHE A 16 -6.365 8.421 -6.507 1.00 0.31 N ATOM 861 CA PHE A 16 -6.738 9.246 -5.367 1.00 0.37 C ATOM 862 C PHE A 16 -7.509 10.491 -5.816 1.00 0.42 C ATOM 863 O PHE A 16 -8.674 10.669 -5.458 1.00 0.54 O ATOM 864 CB PHE A 16 -5.451 9.665 -4.657 1.00 0.45 C ATOM 865 CG PHE A 16 -5.516 9.768 -3.164 1.00 0.36 C ATOM 866 CD1 PHE A 16 -6.353 8.958 -2.414 1.00 1.26 C ATOM 867 CD2 PHE A 16 -4.707 10.675 -2.504 1.00 1.24 C ATOM 868 CE1 PHE A 16 -6.380 9.057 -1.039 1.00 1.43 C ATOM 869 CE2 PHE A 16 -4.728 10.773 -1.133 1.00 1.39 C ATOM 870 CZ PHE A 16 -5.570 9.965 -0.399 1.00 0.99 C ATOM 0 H PHE A 16 -5.402 8.087 -6.466 1.00 0.31 H new ATOM 0 HA PHE A 16 -7.387 8.679 -4.700 1.00 0.37 H new ATOM 0 HB2 PHE A 16 -4.670 8.950 -4.916 1.00 0.45 H new ATOM 0 HB3 PHE A 16 -5.142 10.632 -5.053 1.00 0.45 H new ATOM 0 HD1 PHE A 16 -6.991 8.242 -2.911 1.00 1.26 H new ATOM 0 HD2 PHE A 16 -4.050 11.315 -3.074 1.00 1.24 H new ATOM 0 HE1 PHE A 16 -7.038 8.421 -0.465 1.00 1.43 H new ATOM 0 HE2 PHE A 16 -4.086 11.482 -0.632 1.00 1.39 H new ATOM 0 HZ PHE A 16 -5.593 10.045 0.678 1.00 0.99 H new ATOM 880 N HIS A 17 -6.847 11.322 -6.632 1.00 0.44 N ATOM 881 CA HIS A 17 -7.417 12.582 -7.132 1.00 0.54 C ATOM 882 C HIS A 17 -8.816 12.409 -7.725 1.00 0.47 C ATOM 883 O HIS A 17 -9.664 13.291 -7.585 1.00 0.52 O ATOM 884 CB HIS A 17 -6.511 13.190 -8.211 1.00 0.72 C ATOM 885 CG HIS A 17 -5.308 13.920 -7.692 1.00 1.09 C ATOM 886 ND1 HIS A 17 -4.154 13.470 -7.147 1.00 2.16 N flip ATOM 887 CD2 HIS A 17 -5.187 15.292 -7.750 1.00 1.23 C flip ATOM 888 CE1 HIS A 17 -3.365 14.564 -6.892 1.00 2.80 C flip ATOM 889 NE2 HIS A 17 -4.013 15.650 -7.266 1.00 2.27 N flip ATOM 0 H HIS A 17 -5.900 11.140 -6.965 1.00 0.44 H new ATOM 0 HA HIS A 17 -7.490 13.242 -6.268 1.00 0.54 H new ATOM 0 HB2 HIS A 17 -6.175 12.392 -8.874 1.00 0.72 H new ATOM 0 HB3 HIS A 17 -7.102 13.878 -8.815 1.00 0.72 H new ATOM 0 HD1 HIS A 17 -3.914 12.496 -6.960 1.00 2.16 H new ATOM 0 HD2 HIS A 17 -5.937 15.969 -8.132 1.00 1.23 H new ATOM 0 HE1 HIS A 17 -2.377 14.539 -6.457 1.00 2.80 H new ATOM 898 N LYS A 18 -9.049 11.277 -8.383 1.00 0.43 N ATOM 899 CA LYS A 18 -10.294 11.057 -9.120 1.00 0.46 C ATOM 900 C LYS A 18 -11.518 11.194 -8.221 1.00 0.44 C ATOM 901 O LYS A 18 -12.442 11.948 -8.521 1.00 0.62 O ATOM 902 CB LYS A 18 -10.324 9.660 -9.740 1.00 0.55 C ATOM 903 CG LYS A 18 -9.142 9.317 -10.630 1.00 0.77 C ATOM 904 CD LYS A 18 -9.300 7.914 -11.196 1.00 0.73 C ATOM 905 CE LYS A 18 -8.101 7.496 -12.024 1.00 1.41 C ATOM 906 NZ LYS A 18 -8.285 6.142 -12.611 1.00 1.69 N ATOM 0 H LYS A 18 -8.393 10.497 -8.422 1.00 0.43 H new ATOM 0 HA LYS A 18 -10.326 11.819 -9.898 1.00 0.46 H new ATOM 0 HB2 LYS A 18 -10.377 8.925 -8.936 1.00 0.55 H new ATOM 0 HB3 LYS A 18 -11.238 9.560 -10.325 1.00 0.55 H new ATOM 0 HG2 LYS A 18 -9.068 10.039 -11.443 1.00 0.77 H new ATOM 0 HG3 LYS A 18 -8.216 9.384 -10.059 1.00 0.77 H new ATOM 0 HD2 LYS A 18 -9.440 7.207 -10.378 1.00 0.73 H new ATOM 0 HD3 LYS A 18 -10.198 7.871 -11.812 1.00 0.73 H new ATOM 0 HE2 LYS A 18 -7.939 8.220 -12.822 1.00 1.41 H new ATOM 0 HE3 LYS A 18 -7.207 7.504 -11.400 1.00 1.41 H new ATOM 0 HZ1 LYS A 18 -7.460 5.903 -13.198 1.00 1.69 H new ATOM 0 HZ2 LYS A 18 -8.381 5.443 -11.847 1.00 1.69 H new ATOM 0 HZ3 LYS A 18 -9.143 6.132 -13.199 1.00 1.69 H new ATOM 920 N TYR A 19 -11.516 10.461 -7.119 1.00 0.37 N ATOM 921 CA TYR A 19 -12.724 10.295 -6.327 1.00 0.41 C ATOM 922 C TYR A 19 -12.740 11.195 -5.099 1.00 0.48 C ATOM 923 O TYR A 19 -13.779 11.747 -4.759 1.00 0.73 O ATOM 924 CB TYR A 19 -12.883 8.829 -5.927 1.00 0.43 C ATOM 925 CG TYR A 19 -12.838 7.893 -7.116 1.00 0.38 C ATOM 926 CD1 TYR A 19 -13.969 7.666 -7.888 1.00 1.18 C ATOM 927 CD2 TYR A 19 -11.658 7.259 -7.476 1.00 1.14 C ATOM 928 CE1 TYR A 19 -13.924 6.831 -8.990 1.00 1.21 C ATOM 929 CE2 TYR A 19 -11.605 6.420 -8.571 1.00 1.14 C ATOM 930 CZ TYR A 19 -12.736 6.210 -9.326 1.00 0.48 C ATOM 931 OH TYR A 19 -12.674 5.389 -10.429 1.00 0.59 O ATOM 0 H TYR A 19 -10.697 9.974 -6.754 1.00 0.37 H new ATOM 0 HA TYR A 19 -13.570 10.595 -6.945 1.00 0.41 H new ATOM 0 HB2 TYR A 19 -12.092 8.559 -5.227 1.00 0.43 H new ATOM 0 HB3 TYR A 19 -13.830 8.700 -5.403 1.00 0.43 H new ATOM 0 HD1 TYR A 19 -14.898 8.149 -7.624 1.00 1.18 H new ATOM 0 HD2 TYR A 19 -10.766 7.424 -6.890 1.00 1.14 H new ATOM 0 HE1 TYR A 19 -14.811 6.666 -9.584 1.00 1.21 H new ATOM 0 HE2 TYR A 19 -10.679 5.930 -8.834 1.00 1.14 H new ATOM 0 HH TYR A 19 -11.765 5.034 -10.522 1.00 0.59 H new ATOM 941 N SER A 20 -11.595 11.363 -4.449 1.00 0.38 N ATOM 942 CA SER A 20 -11.532 12.175 -3.235 1.00 0.45 C ATOM 943 C SER A 20 -11.707 13.652 -3.568 1.00 0.54 C ATOM 944 O SER A 20 -12.188 14.435 -2.754 1.00 0.68 O ATOM 945 CB SER A 20 -10.210 11.942 -2.505 1.00 0.47 C ATOM 946 OG SER A 20 -9.111 12.140 -3.374 1.00 0.52 O ATOM 0 H SER A 20 -10.706 10.954 -4.736 1.00 0.38 H new ATOM 0 HA SER A 20 -12.347 11.874 -2.577 1.00 0.45 H new ATOM 0 HB2 SER A 20 -10.134 12.621 -1.656 1.00 0.47 H new ATOM 0 HB3 SER A 20 -10.185 10.928 -2.105 1.00 0.47 H new ATOM 0 HG SER A 20 -8.977 11.337 -3.920 1.00 0.52 H new ATOM 952 N GLY A 21 -11.327 14.026 -4.783 1.00 0.54 N ATOM 953 CA GLY A 21 -11.483 15.399 -5.213 1.00 0.65 C ATOM 954 C GLY A 21 -12.873 15.678 -5.752 1.00 0.68 C ATOM 955 O GLY A 21 -13.104 16.708 -6.386 1.00 0.82 O ATOM 0 H GLY A 21 -10.914 13.403 -5.477 1.00 0.54 H new ATOM 0 HA2 GLY A 21 -11.280 16.065 -4.375 1.00 0.65 H new ATOM 0 HA3 GLY A 21 -10.745 15.622 -5.984 1.00 0.65 H new ATOM 959 N LYS A 22 -13.800 14.759 -5.503 1.00 0.70 N ATOM 960 CA LYS A 22 -15.168 14.913 -5.972 1.00 0.76 C ATOM 961 C LYS A 22 -16.015 15.632 -4.927 1.00 0.85 C ATOM 962 O LYS A 22 -16.651 16.646 -5.225 1.00 0.93 O ATOM 963 CB LYS A 22 -15.777 13.550 -6.320 1.00 0.78 C ATOM 964 CG LYS A 22 -17.243 13.620 -6.715 1.00 1.19 C ATOM 965 CD LYS A 22 -17.755 12.294 -7.259 1.00 1.26 C ATOM 966 CE LYS A 22 -17.152 11.977 -8.620 1.00 1.71 C ATOM 967 NZ LYS A 22 -17.829 10.826 -9.274 1.00 2.08 N ATOM 0 H LYS A 22 -13.627 13.901 -4.979 1.00 0.70 H new ATOM 0 HA LYS A 22 -15.154 15.520 -6.877 1.00 0.76 H new ATOM 0 HB2 LYS A 22 -15.210 13.107 -7.138 1.00 0.78 H new ATOM 0 HB3 LYS A 22 -15.672 12.885 -5.463 1.00 0.78 H new ATOM 0 HG2 LYS A 22 -17.838 13.909 -5.849 1.00 1.19 H new ATOM 0 HG3 LYS A 22 -17.378 14.396 -7.468 1.00 1.19 H new ATOM 0 HD2 LYS A 22 -17.513 11.495 -6.558 1.00 1.26 H new ATOM 0 HD3 LYS A 22 -18.841 12.329 -7.341 1.00 1.26 H new ATOM 0 HE2 LYS A 22 -17.226 12.854 -9.263 1.00 1.71 H new ATOM 0 HE3 LYS A 22 -16.091 11.756 -8.504 1.00 1.71 H new ATOM 0 HZ1 LYS A 22 -17.116 10.142 -9.597 1.00 2.08 H new ATOM 0 HZ2 LYS A 22 -18.467 10.366 -8.593 1.00 2.08 H new ATOM 0 HZ3 LYS A 22 -18.379 11.164 -10.089 1.00 2.08 H new ATOM 981 N GLU A 23 -16.017 15.120 -3.705 1.00 0.96 N ATOM 982 CA GLU A 23 -16.770 15.743 -2.630 1.00 1.13 C ATOM 983 C GLU A 23 -15.847 16.531 -1.717 1.00 1.24 C ATOM 984 O GLU A 23 -16.118 17.691 -1.398 1.00 1.56 O ATOM 985 CB GLU A 23 -17.540 14.701 -1.817 1.00 1.44 C ATOM 986 CG GLU A 23 -18.643 14.012 -2.597 1.00 1.91 C ATOM 987 CD GLU A 23 -19.449 13.065 -1.737 1.00 2.47 C ATOM 988 OE1 GLU A 23 -20.305 13.541 -0.959 1.00 2.94 O ATOM 989 OE2 GLU A 23 -19.239 11.840 -1.833 1.00 3.12 O ATOM 0 H GLU A 23 -15.508 14.278 -3.435 1.00 0.96 H new ATOM 0 HA GLU A 23 -17.489 16.425 -3.083 1.00 1.13 H new ATOM 0 HB2 GLU A 23 -16.841 13.949 -1.452 1.00 1.44 H new ATOM 0 HB3 GLU A 23 -17.974 15.184 -0.942 1.00 1.44 H new ATOM 0 HG2 GLU A 23 -19.306 14.764 -3.025 1.00 1.91 H new ATOM 0 HG3 GLU A 23 -18.206 13.461 -3.430 1.00 1.91 H new ATOM 996 N GLY A 24 -14.748 15.910 -1.315 1.00 1.31 N ATOM 997 CA GLY A 24 -13.829 16.559 -0.406 1.00 1.56 C ATOM 998 C GLY A 24 -12.545 16.982 -1.082 1.00 1.32 C ATOM 999 O GLY A 24 -12.563 17.564 -2.170 1.00 1.41 O ATOM 0 H GLY A 24 -14.477 14.969 -1.602 1.00 1.31 H new ATOM 0 HA2 GLY A 24 -14.311 17.434 0.029 1.00 1.56 H new ATOM 0 HA3 GLY A 24 -13.597 15.881 0.415 1.00 1.56 H new ATOM 1003 N ASP A 25 -11.431 16.697 -0.431 1.00 1.15 N ATOM 1004 CA ASP A 25 -10.121 17.027 -0.970 1.00 1.05 C ATOM 1005 C ASP A 25 -9.491 15.793 -1.584 1.00 0.89 C ATOM 1006 O ASP A 25 -9.743 14.683 -1.126 1.00 0.91 O ATOM 1007 CB ASP A 25 -9.209 17.585 0.121 1.00 1.15 C ATOM 1008 CG ASP A 25 -9.697 18.907 0.670 1.00 1.30 C ATOM 1009 OD1 ASP A 25 -10.548 18.900 1.580 1.00 1.80 O ATOM 1010 OD2 ASP A 25 -9.234 19.964 0.198 1.00 1.94 O ATOM 0 H ASP A 25 -11.407 16.235 0.478 1.00 1.15 H new ATOM 0 HA ASP A 25 -10.248 17.790 -1.738 1.00 1.05 H new ATOM 0 HB2 ASP A 25 -9.138 16.863 0.934 1.00 1.15 H new ATOM 0 HB3 ASP A 25 -8.204 17.712 -0.281 1.00 1.15 H new ATOM 1015 N LYS A 26 -8.654 15.994 -2.596 1.00 0.93 N ATOM 1016 CA LYS A 26 -8.038 14.888 -3.341 1.00 0.87 C ATOM 1017 C LYS A 26 -7.040 14.073 -2.504 1.00 0.82 C ATOM 1018 O LYS A 26 -6.200 13.362 -3.057 1.00 0.88 O ATOM 1019 CB LYS A 26 -7.338 15.401 -4.611 1.00 1.07 C ATOM 1020 CG LYS A 26 -6.013 16.135 -4.381 1.00 1.37 C ATOM 1021 CD LYS A 26 -6.180 17.519 -3.766 1.00 1.56 C ATOM 1022 CE LYS A 26 -7.019 18.428 -4.650 1.00 1.77 C ATOM 1023 NZ LYS A 26 -7.038 19.826 -4.150 1.00 2.57 N ATOM 0 H LYS A 26 -8.381 16.920 -2.926 1.00 0.93 H new ATOM 0 HA LYS A 26 -8.858 14.223 -3.612 1.00 0.87 H new ATOM 0 HB2 LYS A 26 -7.154 14.554 -5.271 1.00 1.07 H new ATOM 0 HB3 LYS A 26 -8.019 16.072 -5.135 1.00 1.07 H new ATOM 0 HG2 LYS A 26 -5.381 15.531 -3.730 1.00 1.37 H new ATOM 0 HG3 LYS A 26 -5.490 16.230 -5.333 1.00 1.37 H new ATOM 0 HD2 LYS A 26 -6.650 17.428 -2.787 1.00 1.56 H new ATOM 0 HD3 LYS A 26 -5.199 17.968 -3.608 1.00 1.56 H new ATOM 0 HE2 LYS A 26 -6.624 18.411 -5.666 1.00 1.77 H new ATOM 0 HE3 LYS A 26 -8.039 18.046 -4.698 1.00 1.77 H new ATOM 0 HZ1 LYS A 26 -7.621 20.412 -4.781 1.00 2.57 H new ATOM 0 HZ2 LYS A 26 -7.439 19.846 -3.191 1.00 2.57 H new ATOM 0 HZ3 LYS A 26 -6.068 20.200 -4.128 1.00 2.57 H new ATOM 1037 N PHE A 27 -7.143 14.153 -1.187 1.00 0.78 N ATOM 1038 CA PHE A 27 -6.310 13.350 -0.312 1.00 0.78 C ATOM 1039 C PHE A 27 -7.147 12.639 0.746 1.00 0.69 C ATOM 1040 O PHE A 27 -6.607 12.057 1.686 1.00 0.68 O ATOM 1041 CB PHE A 27 -5.223 14.199 0.348 1.00 0.98 C ATOM 1042 CG PHE A 27 -5.728 15.425 1.055 1.00 0.66 C ATOM 1043 CD1 PHE A 27 -6.511 15.320 2.197 1.00 1.57 C ATOM 1044 CD2 PHE A 27 -5.403 16.687 0.581 1.00 1.53 C ATOM 1045 CE1 PHE A 27 -6.960 16.452 2.850 1.00 2.34 C ATOM 1046 CE2 PHE A 27 -5.846 17.821 1.233 1.00 2.32 C ATOM 1047 CZ PHE A 27 -6.623 17.703 2.370 1.00 2.54 C ATOM 0 H PHE A 27 -7.797 14.767 -0.702 1.00 0.78 H new ATOM 0 HA PHE A 27 -5.824 12.593 -0.927 1.00 0.78 H new ATOM 0 HB2 PHE A 27 -4.682 13.580 1.064 1.00 0.98 H new ATOM 0 HB3 PHE A 27 -4.507 14.505 -0.414 1.00 0.98 H new ATOM 0 HD1 PHE A 27 -6.772 14.344 2.579 1.00 1.57 H new ATOM 0 HD2 PHE A 27 -4.797 16.784 -0.308 1.00 1.53 H new ATOM 0 HE1 PHE A 27 -7.573 16.359 3.734 1.00 2.34 H new ATOM 0 HE2 PHE A 27 -5.586 18.799 0.855 1.00 2.32 H new ATOM 0 HZ PHE A 27 -6.967 18.589 2.883 1.00 2.54 H new ATOM 1057 N LYS A 28 -8.465 12.684 0.595 1.00 0.67 N ATOM 1058 CA LYS A 28 -9.347 12.037 1.552 1.00 0.64 C ATOM 1059 C LYS A 28 -10.667 11.646 0.908 1.00 0.48 C ATOM 1060 O LYS A 28 -11.308 12.448 0.233 1.00 0.54 O ATOM 1061 CB LYS A 28 -9.592 12.944 2.753 1.00 0.87 C ATOM 1062 CG LYS A 28 -10.300 14.240 2.411 1.00 1.00 C ATOM 1063 CD LYS A 28 -10.401 15.121 3.628 1.00 1.04 C ATOM 1064 CE LYS A 28 -11.262 16.342 3.369 1.00 1.55 C ATOM 1065 NZ LYS A 28 -11.511 17.109 4.616 1.00 2.03 N ATOM 0 H LYS A 28 -8.941 13.157 -0.173 1.00 0.67 H new ATOM 0 HA LYS A 28 -8.856 11.126 1.895 1.00 0.64 H new ATOM 0 HB2 LYS A 28 -10.184 12.402 3.490 1.00 0.87 H new ATOM 0 HB3 LYS A 28 -8.635 13.177 3.221 1.00 0.87 H new ATOM 0 HG2 LYS A 28 -9.758 14.760 1.622 1.00 1.00 H new ATOM 0 HG3 LYS A 28 -11.297 14.026 2.025 1.00 1.00 H new ATOM 0 HD2 LYS A 28 -10.820 14.550 4.456 1.00 1.04 H new ATOM 0 HD3 LYS A 28 -9.403 15.438 3.931 1.00 1.04 H new ATOM 0 HE2 LYS A 28 -10.772 16.985 2.637 1.00 1.55 H new ATOM 0 HE3 LYS A 28 -12.213 16.032 2.936 1.00 1.55 H new ATOM 0 HZ1 LYS A 28 -11.955 18.020 4.381 1.00 2.03 H new ATOM 0 HZ2 LYS A 28 -12.144 16.566 5.237 1.00 2.03 H new ATOM 0 HZ3 LYS A 28 -10.609 17.280 5.105 1.00 2.03 H new ATOM 1079 N LEU A 29 -11.061 10.410 1.127 1.00 0.36 N ATOM 1080 CA LEU A 29 -12.285 9.881 0.531 1.00 0.32 C ATOM 1081 C LEU A 29 -13.312 9.545 1.606 1.00 0.34 C ATOM 1082 O LEU A 29 -13.004 8.838 2.567 1.00 0.40 O ATOM 1083 CB LEU A 29 -12.008 8.618 -0.302 1.00 0.30 C ATOM 1084 CG LEU A 29 -11.043 8.774 -1.484 1.00 0.30 C ATOM 1085 CD1 LEU A 29 -9.594 8.744 -1.015 1.00 0.32 C ATOM 1086 CD2 LEU A 29 -11.291 7.689 -2.519 1.00 0.33 C ATOM 0 H LEU A 29 -10.556 9.746 1.713 1.00 0.36 H new ATOM 0 HA LEU A 29 -12.679 10.659 -0.123 1.00 0.32 H new ATOM 0 HB2 LEU A 29 -11.611 7.851 0.363 1.00 0.30 H new ATOM 0 HB3 LEU A 29 -12.959 8.247 -0.685 1.00 0.30 H new ATOM 0 HG LEU A 29 -11.228 9.744 -1.946 1.00 0.30 H new ATOM 0 HD11 LEU A 29 -8.931 8.857 -1.873 1.00 0.32 H new ATOM 0 HD12 LEU A 29 -9.422 9.561 -0.314 1.00 0.32 H new ATOM 0 HD13 LEU A 29 -9.391 7.793 -0.522 1.00 0.32 H new ATOM 0 HD21 LEU A 29 -10.598 7.814 -3.351 1.00 0.33 H new ATOM 0 HD22 LEU A 29 -11.138 6.710 -2.064 1.00 0.33 H new ATOM 0 HD23 LEU A 29 -12.315 7.763 -2.886 1.00 0.33 H new ATOM 1098 N ASN A 30 -14.523 10.060 1.451 1.00 0.35 N ATOM 1099 CA ASN A 30 -15.624 9.680 2.327 1.00 0.35 C ATOM 1100 C ASN A 30 -16.257 8.390 1.805 1.00 0.31 C ATOM 1101 O ASN A 30 -15.784 7.829 0.813 1.00 0.29 O ATOM 1102 CB ASN A 30 -16.670 10.806 2.433 1.00 0.41 C ATOM 1103 CG ASN A 30 -17.718 10.782 1.329 1.00 0.62 C ATOM 1104 OD1 ASN A 30 -18.784 10.182 1.476 1.00 1.20 O ATOM 1105 ND2 ASN A 30 -17.426 11.426 0.220 1.00 0.63 N ATOM 0 H ASN A 30 -14.769 10.739 0.731 1.00 0.35 H new ATOM 0 HA ASN A 30 -15.236 9.510 3.331 1.00 0.35 H new ATOM 0 HB2 ASN A 30 -17.172 10.733 3.398 1.00 0.41 H new ATOM 0 HB3 ASN A 30 -16.157 11.768 2.413 1.00 0.41 H new ATOM 0 HD21 ASN A 30 -18.092 11.439 -0.553 1.00 0.63 H new ATOM 0 HD22 ASN A 30 -16.534 11.912 0.133 1.00 0.63 H new ATOM 1112 N LYS A 31 -17.313 7.924 2.471 1.00 0.32 N ATOM 1113 CA LYS A 31 -17.993 6.678 2.096 1.00 0.31 C ATOM 1114 C LYS A 31 -18.252 6.603 0.589 1.00 0.30 C ATOM 1115 O LYS A 31 -17.857 5.642 -0.076 1.00 0.31 O ATOM 1116 CB LYS A 31 -19.337 6.556 2.821 1.00 0.35 C ATOM 1117 CG LYS A 31 -19.276 6.832 4.313 1.00 0.45 C ATOM 1118 CD LYS A 31 -20.655 6.726 4.940 1.00 0.56 C ATOM 1119 CE LYS A 31 -20.719 7.428 6.289 1.00 1.22 C ATOM 1120 NZ LYS A 31 -19.829 6.794 7.295 1.00 1.70 N ATOM 0 H LYS A 31 -17.721 8.393 3.280 1.00 0.32 H new ATOM 0 HA LYS A 31 -17.332 5.862 2.386 1.00 0.31 H new ATOM 0 HB2 LYS A 31 -20.045 7.248 2.365 1.00 0.35 H new ATOM 0 HB3 LYS A 31 -19.729 5.551 2.666 1.00 0.35 H new ATOM 0 HG2 LYS A 31 -18.599 6.123 4.791 1.00 0.45 H new ATOM 0 HG3 LYS A 31 -18.869 7.828 4.486 1.00 0.45 H new ATOM 0 HD2 LYS A 31 -21.394 7.162 4.268 1.00 0.56 H new ATOM 0 HD3 LYS A 31 -20.918 5.675 5.064 1.00 0.56 H new ATOM 0 HE2 LYS A 31 -20.438 8.474 6.166 1.00 1.22 H new ATOM 0 HE3 LYS A 31 -21.746 7.415 6.655 1.00 1.22 H new ATOM 0 HZ1 LYS A 31 -19.268 7.527 7.773 1.00 1.70 H new ATOM 0 HZ2 LYS A 31 -20.405 6.286 7.997 1.00 1.70 H new ATOM 0 HZ3 LYS A 31 -19.191 6.124 6.821 1.00 1.70 H new ATOM 1134 N SER A 32 -18.900 7.632 0.056 1.00 0.32 N ATOM 1135 CA SER A 32 -19.324 7.634 -1.337 1.00 0.34 C ATOM 1136 C SER A 32 -18.124 7.654 -2.287 1.00 0.31 C ATOM 1137 O SER A 32 -18.155 7.041 -3.358 1.00 0.34 O ATOM 1138 CB SER A 32 -20.233 8.838 -1.603 1.00 0.43 C ATOM 1139 OG SER A 32 -20.861 8.743 -2.872 1.00 1.29 O ATOM 0 H SER A 32 -19.144 8.478 0.571 1.00 0.32 H new ATOM 0 HA SER A 32 -19.879 6.715 -1.524 1.00 0.34 H new ATOM 0 HB2 SER A 32 -20.992 8.902 -0.824 1.00 0.43 H new ATOM 0 HB3 SER A 32 -19.647 9.756 -1.553 1.00 0.43 H new ATOM 0 HG SER A 32 -21.435 9.525 -3.012 1.00 1.29 H new ATOM 1145 N GLU A 33 -17.057 8.332 -1.883 1.00 0.30 N ATOM 1146 CA GLU A 33 -15.888 8.490 -2.732 1.00 0.31 C ATOM 1147 C GLU A 33 -15.096 7.195 -2.768 1.00 0.26 C ATOM 1148 O GLU A 33 -14.575 6.795 -3.810 1.00 0.27 O ATOM 1149 CB GLU A 33 -15.034 9.650 -2.221 1.00 0.37 C ATOM 1150 CG GLU A 33 -15.745 10.993 -2.345 1.00 0.51 C ATOM 1151 CD GLU A 33 -15.050 12.123 -1.612 1.00 0.88 C ATOM 1152 OE1 GLU A 33 -14.863 12.003 -0.383 1.00 1.68 O ATOM 1153 OE2 GLU A 33 -14.724 13.143 -2.254 1.00 1.46 O ATOM 0 H GLU A 33 -16.979 8.781 -0.971 1.00 0.30 H new ATOM 0 HA GLU A 33 -16.202 8.721 -3.750 1.00 0.31 H new ATOM 0 HB2 GLU A 33 -14.774 9.474 -1.177 1.00 0.37 H new ATOM 0 HB3 GLU A 33 -14.099 9.684 -2.781 1.00 0.37 H new ATOM 0 HG2 GLU A 33 -15.828 11.254 -3.400 1.00 0.51 H new ATOM 0 HG3 GLU A 33 -16.760 10.893 -1.961 1.00 0.51 H new ATOM 1160 N LEU A 34 -15.033 6.531 -1.624 1.00 0.23 N ATOM 1161 CA LEU A 34 -14.403 5.228 -1.531 1.00 0.20 C ATOM 1162 C LEU A 34 -15.186 4.188 -2.308 1.00 0.20 C ATOM 1163 O LEU A 34 -14.604 3.341 -2.979 1.00 0.23 O ATOM 1164 CB LEU A 34 -14.280 4.804 -0.073 1.00 0.18 C ATOM 1165 CG LEU A 34 -13.001 5.258 0.613 1.00 0.18 C ATOM 1166 CD1 LEU A 34 -13.103 5.051 2.107 1.00 0.21 C ATOM 1167 CD2 LEU A 34 -11.817 4.508 0.039 1.00 0.18 C ATOM 0 H LEU A 34 -15.414 6.878 -0.744 1.00 0.23 H new ATOM 0 HA LEU A 34 -13.407 5.303 -1.967 1.00 0.20 H new ATOM 0 HB2 LEU A 34 -15.133 5.199 0.480 1.00 0.18 H new ATOM 0 HB3 LEU A 34 -14.340 3.717 -0.018 1.00 0.18 H new ATOM 0 HG LEU A 34 -12.856 6.323 0.432 1.00 0.18 H new ATOM 0 HD11 LEU A 34 -12.180 5.381 2.584 1.00 0.21 H new ATOM 0 HD12 LEU A 34 -13.940 5.629 2.498 1.00 0.21 H new ATOM 0 HD13 LEU A 34 -13.263 3.994 2.318 1.00 0.21 H new ATOM 0 HD21 LEU A 34 -10.903 4.837 0.534 1.00 0.18 H new ATOM 0 HD22 LEU A 34 -11.951 3.438 0.199 1.00 0.18 H new ATOM 0 HD23 LEU A 34 -11.743 4.708 -1.030 1.00 0.18 H new ATOM 1179 N LYS A 35 -16.507 4.254 -2.225 1.00 0.23 N ATOM 1180 CA LYS A 35 -17.338 3.297 -2.932 1.00 0.29 C ATOM 1181 C LYS A 35 -17.072 3.370 -4.425 1.00 0.25 C ATOM 1182 O LYS A 35 -16.869 2.346 -5.063 1.00 0.27 O ATOM 1183 CB LYS A 35 -18.822 3.509 -2.622 1.00 0.42 C ATOM 1184 CG LYS A 35 -19.699 2.366 -3.109 1.00 0.60 C ATOM 1185 CD LYS A 35 -21.029 2.312 -2.373 1.00 0.71 C ATOM 1186 CE LYS A 35 -21.937 3.458 -2.760 1.00 0.53 C ATOM 1187 NZ LYS A 35 -23.169 3.496 -1.934 1.00 0.89 N ATOM 0 H LYS A 35 -17.018 4.950 -1.683 1.00 0.23 H new ATOM 0 HA LYS A 35 -17.076 2.297 -2.585 1.00 0.29 H new ATOM 0 HB2 LYS A 35 -18.950 3.625 -1.546 1.00 0.42 H new ATOM 0 HB3 LYS A 35 -19.155 4.438 -3.084 1.00 0.42 H new ATOM 0 HG2 LYS A 35 -19.881 2.479 -4.178 1.00 0.60 H new ATOM 0 HG3 LYS A 35 -19.172 1.422 -2.974 1.00 0.60 H new ATOM 0 HD2 LYS A 35 -21.526 1.366 -2.590 1.00 0.71 H new ATOM 0 HD3 LYS A 35 -20.850 2.338 -1.298 1.00 0.71 H new ATOM 0 HE2 LYS A 35 -21.399 4.399 -2.651 1.00 0.53 H new ATOM 0 HE3 LYS A 35 -22.209 3.366 -3.812 1.00 0.53 H new ATOM 0 HZ1 LYS A 35 -23.514 4.475 -1.870 1.00 0.89 H new ATOM 0 HZ2 LYS A 35 -23.899 2.899 -2.372 1.00 0.89 H new ATOM 0 HZ3 LYS A 35 -22.958 3.140 -0.980 1.00 0.89 H new ATOM 1201 N GLU A 36 -17.044 4.573 -4.976 1.00 0.25 N ATOM 1202 CA GLU A 36 -16.699 4.745 -6.383 1.00 0.28 C ATOM 1203 C GLU A 36 -15.297 4.219 -6.678 1.00 0.28 C ATOM 1204 O GLU A 36 -15.084 3.557 -7.688 1.00 0.34 O ATOM 1205 CB GLU A 36 -16.803 6.202 -6.809 1.00 0.32 C ATOM 1206 CG GLU A 36 -18.089 6.520 -7.544 1.00 0.66 C ATOM 1207 CD GLU A 36 -18.091 7.913 -8.126 1.00 0.77 C ATOM 1208 OE1 GLU A 36 -17.530 8.100 -9.224 1.00 1.49 O ATOM 1209 OE2 GLU A 36 -18.649 8.831 -7.494 1.00 1.28 O ATOM 0 H GLU A 36 -17.253 5.439 -4.479 1.00 0.25 H new ATOM 0 HA GLU A 36 -17.419 4.164 -6.959 1.00 0.28 H new ATOM 0 HB2 GLU A 36 -16.730 6.838 -5.927 1.00 0.32 H new ATOM 0 HB3 GLU A 36 -15.956 6.448 -7.450 1.00 0.32 H new ATOM 0 HG2 GLU A 36 -18.235 5.795 -8.344 1.00 0.66 H new ATOM 0 HG3 GLU A 36 -18.931 6.414 -6.860 1.00 0.66 H new ATOM 1216 N LEU A 37 -14.354 4.511 -5.789 1.00 0.25 N ATOM 1217 CA LEU A 37 -12.993 3.988 -5.905 1.00 0.27 C ATOM 1218 C LEU A 37 -13.029 2.481 -6.112 1.00 0.23 C ATOM 1219 O LEU A 37 -12.575 1.968 -7.139 1.00 0.24 O ATOM 1220 CB LEU A 37 -12.203 4.311 -4.636 1.00 0.32 C ATOM 1221 CG LEU A 37 -10.707 4.003 -4.695 1.00 0.40 C ATOM 1222 CD1 LEU A 37 -9.937 5.166 -5.303 1.00 0.33 C ATOM 1223 CD2 LEU A 37 -10.181 3.677 -3.310 1.00 0.74 C ATOM 0 H LEU A 37 -14.506 5.109 -4.977 1.00 0.25 H new ATOM 0 HA LEU A 37 -12.508 4.455 -6.762 1.00 0.27 H new ATOM 0 HB2 LEU A 37 -12.329 5.370 -4.410 1.00 0.32 H new ATOM 0 HB3 LEU A 37 -12.638 3.754 -3.806 1.00 0.32 H new ATOM 0 HG LEU A 37 -10.561 3.133 -5.335 1.00 0.40 H new ATOM 0 HD11 LEU A 37 -8.875 4.923 -5.334 1.00 0.33 H new ATOM 0 HD12 LEU A 37 -10.297 5.351 -6.315 1.00 0.33 H new ATOM 0 HD13 LEU A 37 -10.087 6.059 -4.696 1.00 0.33 H new ATOM 0 HD21 LEU A 37 -9.114 3.460 -3.368 1.00 0.74 H new ATOM 0 HD22 LEU A 37 -10.343 4.529 -2.650 1.00 0.74 H new ATOM 0 HD23 LEU A 37 -10.707 2.808 -2.916 1.00 0.74 H new ATOM 1235 N LEU A 38 -13.614 1.786 -5.147 1.00 0.20 N ATOM 1236 CA LEU A 38 -13.657 0.335 -5.165 1.00 0.20 C ATOM 1237 C LEU A 38 -14.555 -0.208 -6.280 1.00 0.22 C ATOM 1238 O LEU A 38 -14.206 -1.180 -6.930 1.00 0.24 O ATOM 1239 CB LEU A 38 -14.095 -0.204 -3.799 1.00 0.19 C ATOM 1240 CG LEU A 38 -13.022 -0.147 -2.704 1.00 0.18 C ATOM 1241 CD1 LEU A 38 -13.361 0.903 -1.660 1.00 0.19 C ATOM 1242 CD2 LEU A 38 -12.851 -1.509 -2.053 1.00 0.21 C ATOM 0 H LEU A 38 -14.068 2.209 -4.337 1.00 0.20 H new ATOM 0 HA LEU A 38 -12.647 -0.016 -5.375 1.00 0.20 H new ATOM 0 HB2 LEU A 38 -14.965 0.362 -3.464 1.00 0.19 H new ATOM 0 HB3 LEU A 38 -14.415 -1.239 -3.919 1.00 0.19 H new ATOM 0 HG LEU A 38 -12.079 0.135 -3.172 1.00 0.18 H new ATOM 0 HD11 LEU A 38 -12.583 0.921 -0.896 1.00 0.19 H new ATOM 0 HD12 LEU A 38 -13.425 1.882 -2.136 1.00 0.19 H new ATOM 0 HD13 LEU A 38 -14.318 0.661 -1.198 1.00 0.19 H new ATOM 0 HD21 LEU A 38 -12.086 -1.449 -1.279 1.00 0.21 H new ATOM 0 HD22 LEU A 38 -13.795 -1.820 -1.606 1.00 0.21 H new ATOM 0 HD23 LEU A 38 -12.549 -2.237 -2.806 1.00 0.21 H new ATOM 1254 N THR A 39 -15.697 0.422 -6.519 1.00 0.23 N ATOM 1255 CA THR A 39 -16.636 -0.073 -7.533 1.00 0.26 C ATOM 1256 C THR A 39 -16.014 -0.038 -8.919 1.00 0.27 C ATOM 1257 O THR A 39 -16.253 -0.915 -9.752 1.00 0.30 O ATOM 1258 CB THR A 39 -17.949 0.740 -7.565 1.00 0.29 C ATOM 1259 OG1 THR A 39 -17.660 2.138 -7.652 1.00 0.33 O ATOM 1260 CG2 THR A 39 -18.800 0.468 -6.337 1.00 0.30 C ATOM 0 H THR A 39 -15.999 1.267 -6.035 1.00 0.23 H new ATOM 0 HA THR A 39 -16.867 -1.101 -7.252 1.00 0.26 H new ATOM 0 HB THR A 39 -18.512 0.429 -8.445 1.00 0.29 H new ATOM 0 HG1 THR A 39 -16.692 2.267 -7.734 1.00 0.33 H new ATOM 0 HG21 THR A 39 -19.716 1.056 -6.392 1.00 0.30 H new ATOM 0 HG22 THR A 39 -19.051 -0.592 -6.296 1.00 0.30 H new ATOM 0 HG23 THR A 39 -18.244 0.744 -5.441 1.00 0.30 H new ATOM 1268 N ARG A 40 -15.207 0.979 -9.156 1.00 0.27 N ATOM 1269 CA ARG A 40 -14.603 1.186 -10.454 1.00 0.30 C ATOM 1270 C ARG A 40 -13.325 0.372 -10.617 1.00 0.29 C ATOM 1271 O ARG A 40 -13.235 -0.480 -11.502 1.00 0.33 O ATOM 1272 CB ARG A 40 -14.314 2.674 -10.656 1.00 0.34 C ATOM 1273 CG ARG A 40 -15.569 3.533 -10.734 1.00 0.36 C ATOM 1274 CD ARG A 40 -16.399 3.197 -11.959 1.00 0.47 C ATOM 1275 NE ARG A 40 -15.693 3.518 -13.198 1.00 0.67 N ATOM 1276 CZ ARG A 40 -15.458 2.645 -14.176 1.00 0.90 C ATOM 1277 NH1 ARG A 40 -15.890 1.393 -14.075 1.00 1.24 N ATOM 1278 NH2 ARG A 40 -14.794 3.031 -15.260 1.00 1.09 N ATOM 0 H ARG A 40 -14.954 1.679 -8.458 1.00 0.27 H new ATOM 0 HA ARG A 40 -15.307 0.845 -11.213 1.00 0.30 H new ATOM 0 HB2 ARG A 40 -13.691 3.029 -9.835 1.00 0.34 H new ATOM 0 HB3 ARG A 40 -13.738 2.803 -11.572 1.00 0.34 H new ATOM 0 HG2 ARG A 40 -16.168 3.385 -9.836 1.00 0.36 H new ATOM 0 HG3 ARG A 40 -15.289 4.586 -10.761 1.00 0.36 H new ATOM 0 HD2 ARG A 40 -16.650 2.136 -11.948 1.00 0.47 H new ATOM 0 HD3 ARG A 40 -17.339 3.748 -11.923 1.00 0.47 H new ATOM 0 HE ARG A 40 -15.358 4.474 -13.322 1.00 0.67 H new ATOM 0 HH11 ARG A 40 -16.404 1.096 -13.246 1.00 1.24 H new ATOM 0 HH12 ARG A 40 -15.707 0.728 -14.827 1.00 1.24 H new ATOM 0 HH21 ARG A 40 -14.466 3.993 -15.341 1.00 1.09 H new ATOM 0 HH22 ARG A 40 -14.612 2.365 -16.011 1.00 1.09 H new ATOM 1292 N GLU A 41 -12.343 0.626 -9.764 1.00 0.29 N ATOM 1293 CA GLU A 41 -11.020 0.046 -9.944 1.00 0.32 C ATOM 1294 C GLU A 41 -10.742 -1.151 -9.032 1.00 0.35 C ATOM 1295 O GLU A 41 -9.738 -1.830 -9.207 1.00 0.46 O ATOM 1296 CB GLU A 41 -9.955 1.127 -9.781 1.00 0.38 C ATOM 1297 CG GLU A 41 -9.775 1.963 -11.038 1.00 0.47 C ATOM 1298 CD GLU A 41 -8.895 3.181 -10.839 1.00 0.83 C ATOM 1299 OE1 GLU A 41 -7.705 3.015 -10.512 1.00 1.60 O ATOM 1300 OE2 GLU A 41 -9.389 4.311 -11.024 1.00 1.54 O ATOM 0 H GLU A 41 -12.436 1.226 -8.945 1.00 0.29 H new ATOM 0 HA GLU A 41 -10.984 -0.352 -10.958 1.00 0.32 H new ATOM 0 HB2 GLU A 41 -10.228 1.779 -8.951 1.00 0.38 H new ATOM 0 HB3 GLU A 41 -9.005 0.660 -9.520 1.00 0.38 H new ATOM 0 HG2 GLU A 41 -9.344 1.338 -11.820 1.00 0.47 H new ATOM 0 HG3 GLU A 41 -10.754 2.287 -11.392 1.00 0.47 H new ATOM 1307 N LEU A 42 -11.614 -1.427 -8.067 1.00 0.28 N ATOM 1308 CA LEU A 42 -11.411 -2.583 -7.181 1.00 0.29 C ATOM 1309 C LEU A 42 -12.642 -3.509 -7.172 1.00 0.28 C ATOM 1310 O LEU A 42 -13.074 -3.945 -6.105 1.00 0.26 O ATOM 1311 CB LEU A 42 -11.123 -2.132 -5.737 1.00 0.27 C ATOM 1312 CG LEU A 42 -9.941 -1.177 -5.531 1.00 0.27 C ATOM 1313 CD1 LEU A 42 -10.315 0.245 -5.936 1.00 0.27 C ATOM 1314 CD2 LEU A 42 -9.478 -1.220 -4.083 1.00 0.31 C ATOM 0 H LEU A 42 -12.454 -0.882 -7.875 1.00 0.28 H new ATOM 0 HA LEU A 42 -10.553 -3.130 -7.571 1.00 0.29 H new ATOM 0 HB2 LEU A 42 -12.020 -1.651 -5.347 1.00 0.27 H new ATOM 0 HB3 LEU A 42 -10.950 -3.022 -5.132 1.00 0.27 H new ATOM 0 HG LEU A 42 -9.119 -1.502 -6.169 1.00 0.27 H new ATOM 0 HD11 LEU A 42 -9.461 0.904 -5.781 1.00 0.27 H new ATOM 0 HD12 LEU A 42 -10.599 0.261 -6.988 1.00 0.27 H new ATOM 0 HD13 LEU A 42 -11.153 0.588 -5.329 1.00 0.27 H new ATOM 0 HD21 LEU A 42 -8.638 -0.538 -3.949 1.00 0.31 H new ATOM 0 HD22 LEU A 42 -10.297 -0.920 -3.430 1.00 0.31 H new ATOM 0 HD23 LEU A 42 -9.166 -2.233 -3.831 1.00 0.31 H new ATOM 1326 N PRO A 43 -13.202 -3.865 -8.349 1.00 0.32 N ATOM 1327 CA PRO A 43 -14.479 -4.586 -8.423 1.00 0.34 C ATOM 1328 C PRO A 43 -14.395 -5.991 -7.846 1.00 0.35 C ATOM 1329 O PRO A 43 -15.341 -6.475 -7.217 1.00 0.38 O ATOM 1330 CB PRO A 43 -14.784 -4.651 -9.925 1.00 0.43 C ATOM 1331 CG PRO A 43 -13.856 -3.675 -10.561 1.00 0.52 C ATOM 1332 CD PRO A 43 -12.642 -3.633 -9.686 1.00 0.36 C ATOM 0 HA PRO A 43 -15.250 -4.082 -7.840 1.00 0.34 H new ATOM 0 HB2 PRO A 43 -14.624 -5.656 -10.315 1.00 0.43 H new ATOM 0 HB3 PRO A 43 -15.824 -4.393 -10.126 1.00 0.43 H new ATOM 0 HG2 PRO A 43 -13.597 -3.985 -11.573 1.00 0.52 H new ATOM 0 HG3 PRO A 43 -14.317 -2.690 -10.637 1.00 0.52 H new ATOM 0 HD2 PRO A 43 -11.918 -4.400 -9.961 1.00 0.36 H new ATOM 0 HD3 PRO A 43 -12.129 -2.673 -9.750 1.00 0.36 H new ATOM 1340 N SER A 44 -13.259 -6.637 -8.050 1.00 0.37 N ATOM 1341 CA SER A 44 -13.056 -7.992 -7.569 1.00 0.41 C ATOM 1342 C SER A 44 -12.981 -8.016 -6.045 1.00 0.37 C ATOM 1343 O SER A 44 -13.189 -9.052 -5.418 1.00 0.42 O ATOM 1344 CB SER A 44 -11.792 -8.574 -8.201 1.00 0.48 C ATOM 1345 OG SER A 44 -10.767 -7.595 -8.278 1.00 1.09 O ATOM 0 H SER A 44 -12.461 -6.242 -8.548 1.00 0.37 H new ATOM 0 HA SER A 44 -13.905 -8.610 -7.862 1.00 0.41 H new ATOM 0 HB2 SER A 44 -11.445 -9.424 -7.613 1.00 0.48 H new ATOM 0 HB3 SER A 44 -12.019 -8.948 -9.199 1.00 0.48 H new ATOM 0 HG SER A 44 -9.967 -7.990 -8.684 1.00 1.09 H new ATOM 1351 N PHE A 45 -12.737 -6.852 -5.458 1.00 0.33 N ATOM 1352 CA PHE A 45 -12.654 -6.725 -4.013 1.00 0.34 C ATOM 1353 C PHE A 45 -13.991 -6.264 -3.443 1.00 0.36 C ATOM 1354 O PHE A 45 -14.080 -5.868 -2.281 1.00 0.40 O ATOM 1355 CB PHE A 45 -11.550 -5.738 -3.635 1.00 0.33 C ATOM 1356 CG PHE A 45 -10.218 -6.077 -4.239 1.00 0.35 C ATOM 1357 CD1 PHE A 45 -9.478 -7.145 -3.760 1.00 1.17 C ATOM 1358 CD2 PHE A 45 -9.710 -5.335 -5.294 1.00 1.31 C ATOM 1359 CE1 PHE A 45 -8.257 -7.464 -4.319 1.00 1.15 C ATOM 1360 CE2 PHE A 45 -8.490 -5.650 -5.857 1.00 1.36 C ATOM 1361 CZ PHE A 45 -7.761 -6.716 -5.369 1.00 0.46 C ATOM 0 H PHE A 45 -12.593 -5.979 -5.965 1.00 0.33 H new ATOM 0 HA PHE A 45 -12.414 -7.700 -3.590 1.00 0.34 H new ATOM 0 HB2 PHE A 45 -11.842 -4.737 -3.954 1.00 0.33 H new ATOM 0 HB3 PHE A 45 -11.453 -5.711 -2.550 1.00 0.33 H new ATOM 0 HD1 PHE A 45 -9.860 -7.735 -2.940 1.00 1.17 H new ATOM 0 HD2 PHE A 45 -10.276 -4.500 -5.680 1.00 1.31 H new ATOM 0 HE1 PHE A 45 -7.689 -8.299 -3.935 1.00 1.15 H new ATOM 0 HE2 PHE A 45 -8.106 -5.063 -6.678 1.00 1.36 H new ATOM 0 HZ PHE A 45 -6.806 -6.964 -5.807 1.00 0.46 H new ATOM 1371 N LEU A 46 -15.026 -6.281 -4.276 1.00 0.36 N ATOM 1372 CA LEU A 46 -16.364 -5.918 -3.828 1.00 0.40 C ATOM 1373 C LEU A 46 -17.361 -7.048 -4.038 1.00 0.55 C ATOM 1374 O LEU A 46 -18.505 -6.969 -3.582 1.00 0.70 O ATOM 1375 CB LEU A 46 -16.859 -4.676 -4.555 1.00 0.35 C ATOM 1376 CG LEU A 46 -16.018 -3.424 -4.344 1.00 0.32 C ATOM 1377 CD1 LEU A 46 -16.728 -2.226 -4.936 1.00 0.34 C ATOM 1378 CD2 LEU A 46 -15.738 -3.203 -2.864 1.00 0.30 C ATOM 0 H LEU A 46 -14.964 -6.541 -5.260 1.00 0.36 H new ATOM 0 HA LEU A 46 -16.292 -5.715 -2.760 1.00 0.40 H new ATOM 0 HB2 LEU A 46 -16.900 -4.891 -5.623 1.00 0.35 H new ATOM 0 HB3 LEU A 46 -17.879 -4.468 -4.232 1.00 0.35 H new ATOM 0 HG LEU A 46 -15.061 -3.555 -4.849 1.00 0.32 H new ATOM 0 HD11 LEU A 46 -16.123 -1.332 -4.783 1.00 0.34 H new ATOM 0 HD12 LEU A 46 -16.879 -2.384 -6.004 1.00 0.34 H new ATOM 0 HD13 LEU A 46 -17.694 -2.098 -4.448 1.00 0.34 H new ATOM 0 HD21 LEU A 46 -15.136 -2.303 -2.738 1.00 0.30 H new ATOM 0 HD22 LEU A 46 -16.680 -3.087 -2.329 1.00 0.30 H new ATOM 0 HD23 LEU A 46 -15.197 -4.061 -2.464 1.00 0.30 H new ATOM 1390 N GLY A 47 -16.940 -8.082 -4.753 1.00 0.64 N ATOM 1391 CA GLY A 47 -17.810 -9.216 -5.011 1.00 0.82 C ATOM 1392 C GLY A 47 -19.018 -8.858 -5.861 1.00 0.87 C ATOM 1393 O GLY A 47 -20.000 -9.602 -5.892 1.00 1.23 O ATOM 0 H GLY A 47 -16.008 -8.157 -5.161 1.00 0.64 H new ATOM 0 HA2 GLY A 47 -17.239 -9.998 -5.512 1.00 0.82 H new ATOM 0 HA3 GLY A 47 -18.151 -9.629 -4.061 1.00 0.82 H new ATOM 1397 N LYS A 48 -18.954 -7.701 -6.527 1.00 0.79 N ATOM 1398 CA LYS A 48 -20.011 -7.248 -7.440 1.00 0.95 C ATOM 1399 C LYS A 48 -21.326 -6.972 -6.688 1.00 0.73 C ATOM 1400 O LYS A 48 -22.376 -6.775 -7.301 1.00 0.97 O ATOM 1401 CB LYS A 48 -20.231 -8.301 -8.543 1.00 1.43 C ATOM 1402 CG LYS A 48 -21.081 -7.826 -9.716 1.00 2.17 C ATOM 1403 CD LYS A 48 -20.351 -6.809 -10.584 1.00 2.32 C ATOM 1404 CE LYS A 48 -19.460 -7.468 -11.632 1.00 2.88 C ATOM 1405 NZ LYS A 48 -18.367 -8.281 -11.033 1.00 3.51 N ATOM 0 H LYS A 48 -18.170 -7.053 -6.450 1.00 0.79 H new ATOM 0 HA LYS A 48 -19.691 -6.310 -7.895 1.00 0.95 H new ATOM 0 HB2 LYS A 48 -19.260 -8.620 -8.921 1.00 1.43 H new ATOM 0 HB3 LYS A 48 -20.704 -9.178 -8.100 1.00 1.43 H new ATOM 0 HG2 LYS A 48 -21.366 -8.683 -10.326 1.00 2.17 H new ATOM 0 HG3 LYS A 48 -22.003 -7.383 -9.338 1.00 2.17 H new ATOM 0 HD2 LYS A 48 -21.081 -6.171 -11.082 1.00 2.32 H new ATOM 0 HD3 LYS A 48 -19.744 -6.164 -9.949 1.00 2.32 H new ATOM 0 HE2 LYS A 48 -20.070 -8.105 -12.272 1.00 2.88 H new ATOM 0 HE3 LYS A 48 -19.026 -6.698 -12.269 1.00 2.88 H new ATOM 0 HZ1 LYS A 48 -17.606 -8.407 -11.730 1.00 3.51 H new ATOM 0 HZ2 LYS A 48 -17.991 -7.794 -10.195 1.00 3.51 H new ATOM 0 HZ3 LYS A 48 -18.739 -9.212 -10.755 1.00 3.51 H new ATOM 1419 N ARG A 49 -21.269 -6.928 -5.364 1.00 0.73 N ATOM 1420 CA ARG A 49 -22.478 -6.786 -4.561 1.00 0.70 C ATOM 1421 C ARG A 49 -22.264 -5.860 -3.372 1.00 0.61 C ATOM 1422 O ARG A 49 -22.798 -6.092 -2.286 1.00 0.75 O ATOM 1423 CB ARG A 49 -22.922 -8.167 -4.093 1.00 0.97 C ATOM 1424 CG ARG A 49 -21.894 -8.878 -3.232 1.00 1.10 C ATOM 1425 CD ARG A 49 -22.342 -10.283 -2.878 1.00 1.54 C ATOM 1426 NE ARG A 49 -22.518 -11.120 -4.062 1.00 2.02 N ATOM 1427 CZ ARG A 49 -23.039 -12.346 -4.036 1.00 2.68 C ATOM 1428 NH1 ARG A 49 -23.465 -12.863 -2.892 1.00 3.06 N ATOM 1429 NH2 ARG A 49 -23.137 -13.049 -5.157 1.00 3.24 N ATOM 0 H ARG A 49 -20.405 -6.988 -4.825 1.00 0.73 H new ATOM 0 HA ARG A 49 -23.255 -6.333 -5.177 1.00 0.70 H new ATOM 0 HB2 ARG A 49 -23.850 -8.069 -3.530 1.00 0.97 H new ATOM 0 HB3 ARG A 49 -23.142 -8.783 -4.965 1.00 0.97 H new ATOM 0 HG2 ARG A 49 -20.942 -8.921 -3.761 1.00 1.10 H new ATOM 0 HG3 ARG A 49 -21.726 -8.308 -2.319 1.00 1.10 H new ATOM 0 HD2 ARG A 49 -21.607 -10.741 -2.217 1.00 1.54 H new ATOM 0 HD3 ARG A 49 -23.281 -10.235 -2.326 1.00 1.54 H new ATOM 0 HE ARG A 49 -22.224 -10.743 -4.963 1.00 2.02 H new ATOM 0 HH11 ARG A 49 -23.394 -12.322 -2.030 1.00 3.06 H new ATOM 0 HH12 ARG A 49 -23.864 -13.802 -2.874 1.00 3.06 H new ATOM 0 HH21 ARG A 49 -22.813 -12.651 -6.039 1.00 3.24 H new ATOM 0 HH22 ARG A 49 -23.536 -13.988 -5.137 1.00 3.24 H new ATOM 1443 N THR A 50 -21.518 -4.796 -3.588 1.00 0.55 N ATOM 1444 CA THR A 50 -21.204 -3.866 -2.523 1.00 0.50 C ATOM 1445 C THR A 50 -22.232 -2.766 -2.369 1.00 0.50 C ATOM 1446 O THR A 50 -22.440 -1.943 -3.265 1.00 0.56 O ATOM 1447 CB THR A 50 -19.842 -3.232 -2.748 1.00 0.54 C ATOM 1448 OG1 THR A 50 -19.515 -3.307 -4.141 1.00 0.91 O ATOM 1449 CG2 THR A 50 -18.798 -3.940 -1.907 1.00 0.51 C ATOM 0 H THR A 50 -21.117 -4.553 -4.494 1.00 0.55 H new ATOM 0 HA THR A 50 -21.205 -4.455 -1.606 1.00 0.50 H new ATOM 0 HB THR A 50 -19.865 -2.185 -2.447 1.00 0.54 H new ATOM 0 HG1 THR A 50 -19.846 -2.506 -4.598 1.00 0.91 H new ATOM 0 HG21 THR A 50 -17.824 -3.480 -2.073 1.00 0.51 H new ATOM 0 HG22 THR A 50 -19.063 -3.858 -0.853 1.00 0.51 H new ATOM 0 HG23 THR A 50 -18.756 -4.992 -2.189 1.00 0.51 H new ATOM 1457 N ASP A 51 -22.878 -2.781 -1.228 1.00 0.49 N ATOM 1458 CA ASP A 51 -23.733 -1.689 -0.807 1.00 0.51 C ATOM 1459 C ASP A 51 -23.083 -0.997 0.379 1.00 0.44 C ATOM 1460 O ASP A 51 -21.885 -1.158 0.617 1.00 0.43 O ATOM 1461 CB ASP A 51 -25.122 -2.201 -0.420 1.00 0.60 C ATOM 1462 CG ASP A 51 -25.854 -2.852 -1.575 1.00 1.15 C ATOM 1463 OD1 ASP A 51 -26.444 -2.123 -2.400 1.00 1.94 O ATOM 1464 OD2 ASP A 51 -25.845 -4.096 -1.662 1.00 1.72 O ATOM 0 H ASP A 51 -22.828 -3.551 -0.561 1.00 0.49 H new ATOM 0 HA ASP A 51 -23.855 -0.987 -1.632 1.00 0.51 H new ATOM 0 HB2 ASP A 51 -25.025 -2.920 0.393 1.00 0.60 H new ATOM 0 HB3 ASP A 51 -25.717 -1.370 -0.041 1.00 0.60 H new ATOM 1469 N GLU A 52 -23.871 -0.258 1.141 1.00 0.47 N ATOM 1470 CA GLU A 52 -23.365 0.425 2.324 1.00 0.46 C ATOM 1471 C GLU A 52 -22.990 -0.579 3.414 1.00 0.46 C ATOM 1472 O GLU A 52 -22.287 -0.250 4.365 1.00 0.46 O ATOM 1473 CB GLU A 52 -24.416 1.404 2.840 1.00 0.49 C ATOM 1474 CG GLU A 52 -24.755 2.497 1.841 1.00 0.52 C ATOM 1475 CD GLU A 52 -23.617 3.477 1.645 1.00 0.71 C ATOM 1476 OE1 GLU A 52 -23.484 4.402 2.473 1.00 1.27 O ATOM 1477 OE2 GLU A 52 -22.859 3.332 0.664 1.00 1.44 O ATOM 0 H GLU A 52 -24.865 -0.114 0.963 1.00 0.47 H new ATOM 0 HA GLU A 52 -22.465 0.976 2.052 1.00 0.46 H new ATOM 0 HB2 GLU A 52 -25.324 0.855 3.090 1.00 0.49 H new ATOM 0 HB3 GLU A 52 -24.056 1.861 3.762 1.00 0.49 H new ATOM 0 HG2 GLU A 52 -25.008 2.043 0.883 1.00 0.52 H new ATOM 0 HG3 GLU A 52 -25.639 3.035 2.182 1.00 0.52 H new ATOM 1484 N ALA A 53 -23.453 -1.814 3.253 1.00 0.52 N ATOM 1485 CA ALA A 53 -23.184 -2.868 4.221 1.00 0.58 C ATOM 1486 C ALA A 53 -21.722 -3.312 4.168 1.00 0.57 C ATOM 1487 O ALA A 53 -21.025 -3.304 5.185 1.00 0.68 O ATOM 1488 CB ALA A 53 -24.112 -4.048 3.984 1.00 0.65 C ATOM 0 H ALA A 53 -24.019 -2.109 2.457 1.00 0.52 H new ATOM 0 HA ALA A 53 -23.371 -2.468 5.218 1.00 0.58 H new ATOM 0 HB1 ALA A 53 -23.901 -4.829 4.714 1.00 0.65 H new ATOM 0 HB2 ALA A 53 -25.147 -3.723 4.089 1.00 0.65 H new ATOM 0 HB3 ALA A 53 -23.954 -4.439 2.979 1.00 0.65 H new ATOM 1494 N ALA A 54 -21.249 -3.678 2.981 1.00 0.49 N ATOM 1495 CA ALA A 54 -19.871 -4.139 2.819 1.00 0.50 C ATOM 1496 C ALA A 54 -18.886 -2.991 3.025 1.00 0.45 C ATOM 1497 O ALA A 54 -17.715 -3.208 3.330 1.00 0.52 O ATOM 1498 CB ALA A 54 -19.668 -4.785 1.450 1.00 0.49 C ATOM 0 H ALA A 54 -21.795 -3.665 2.120 1.00 0.49 H new ATOM 0 HA ALA A 54 -19.678 -4.894 3.581 1.00 0.50 H new ATOM 0 HB1 ALA A 54 -18.635 -5.119 1.355 1.00 0.49 H new ATOM 0 HB2 ALA A 54 -20.337 -5.640 1.348 1.00 0.49 H new ATOM 0 HB3 ALA A 54 -19.887 -4.058 0.668 1.00 0.49 H new ATOM 1504 N PHE A 55 -19.370 -1.769 2.876 1.00 0.36 N ATOM 1505 CA PHE A 55 -18.530 -0.591 3.043 1.00 0.32 C ATOM 1506 C PHE A 55 -18.504 -0.107 4.486 1.00 0.34 C ATOM 1507 O PHE A 55 -17.612 0.647 4.873 1.00 0.34 O ATOM 1508 CB PHE A 55 -18.989 0.526 2.110 1.00 0.31 C ATOM 1509 CG PHE A 55 -18.384 0.413 0.746 1.00 0.28 C ATOM 1510 CD1 PHE A 55 -18.949 -0.404 -0.220 1.00 1.20 C ATOM 1511 CD2 PHE A 55 -17.228 1.105 0.440 1.00 1.20 C ATOM 1512 CE1 PHE A 55 -18.373 -0.520 -1.468 1.00 1.21 C ATOM 1513 CE2 PHE A 55 -16.646 0.988 -0.804 1.00 1.20 C ATOM 1514 CZ PHE A 55 -17.219 0.175 -1.760 1.00 0.31 C ATOM 0 H PHE A 55 -20.341 -1.565 2.639 1.00 0.36 H new ATOM 0 HA PHE A 55 -17.511 -0.876 2.780 1.00 0.32 H new ATOM 0 HB2 PHE A 55 -20.075 0.502 2.026 1.00 0.31 H new ATOM 0 HB3 PHE A 55 -18.724 1.490 2.544 1.00 0.31 H new ATOM 0 HD1 PHE A 55 -19.849 -0.956 0.006 1.00 1.20 H new ATOM 0 HD2 PHE A 55 -16.776 1.744 1.183 1.00 1.20 H new ATOM 0 HE1 PHE A 55 -18.826 -1.155 -2.215 1.00 1.21 H new ATOM 0 HE2 PHE A 55 -15.741 1.533 -1.030 1.00 1.20 H new ATOM 0 HZ PHE A 55 -16.764 0.083 -2.735 1.00 0.31 H new ATOM 1524 N GLN A 56 -19.472 -0.546 5.281 1.00 0.37 N ATOM 1525 CA GLN A 56 -19.561 -0.140 6.681 1.00 0.40 C ATOM 1526 C GLN A 56 -18.305 -0.542 7.452 1.00 0.37 C ATOM 1527 O GLN A 56 -17.682 0.284 8.115 1.00 0.42 O ATOM 1528 CB GLN A 56 -20.803 -0.754 7.326 1.00 0.46 C ATOM 1529 CG GLN A 56 -21.037 -0.309 8.761 1.00 0.58 C ATOM 1530 CD GLN A 56 -22.347 -0.825 9.325 1.00 0.68 C ATOM 1531 OE1 GLN A 56 -23.342 -0.988 8.464 1.00 1.42 O flip ATOM 1532 NE2 GLN A 56 -22.468 -1.064 10.525 1.00 1.00 N flip ATOM 0 H GLN A 56 -20.209 -1.185 4.981 1.00 0.37 H new ATOM 0 HA GLN A 56 -19.642 0.946 6.718 1.00 0.40 H new ATOM 0 HB2 GLN A 56 -21.677 -0.494 6.728 1.00 0.46 H new ATOM 0 HB3 GLN A 56 -20.713 -1.840 7.303 1.00 0.46 H new ATOM 0 HG2 GLN A 56 -20.214 -0.659 9.385 1.00 0.58 H new ATOM 0 HG3 GLN A 56 -21.030 0.780 8.806 1.00 0.58 H new ATOM 0 HE21 GLN A 56 -21.678 -0.925 11.155 1.00 1.00 H new ATOM 0 HE22 GLN A 56 -23.359 -1.401 10.891 1.00 1.00 H new ATOM 1541 N LYS A 57 -17.915 -1.808 7.336 1.00 0.34 N ATOM 1542 CA LYS A 57 -16.754 -2.315 8.056 1.00 0.35 C ATOM 1543 C LYS A 57 -15.470 -1.864 7.372 1.00 0.29 C ATOM 1544 O LYS A 57 -14.432 -1.718 8.015 1.00 0.34 O ATOM 1545 CB LYS A 57 -16.807 -3.842 8.143 1.00 0.47 C ATOM 1546 CG LYS A 57 -15.548 -4.497 8.709 1.00 0.85 C ATOM 1547 CD LYS A 57 -15.600 -4.681 10.222 1.00 0.57 C ATOM 1548 CE LYS A 57 -15.531 -3.363 10.977 1.00 0.63 C ATOM 1549 NZ LYS A 57 -15.486 -3.580 12.448 1.00 0.92 N ATOM 0 H LYS A 57 -18.385 -2.499 6.752 1.00 0.34 H new ATOM 0 HA LYS A 57 -16.767 -1.911 9.068 1.00 0.35 H new ATOM 0 HB2 LYS A 57 -17.657 -4.127 8.762 1.00 0.47 H new ATOM 0 HB3 LYS A 57 -16.991 -4.242 7.146 1.00 0.47 H new ATOM 0 HG2 LYS A 57 -15.406 -5.468 8.235 1.00 0.85 H new ATOM 0 HG3 LYS A 57 -14.681 -3.888 8.452 1.00 0.85 H new ATOM 0 HD2 LYS A 57 -16.520 -5.200 10.489 1.00 0.57 H new ATOM 0 HD3 LYS A 57 -14.773 -5.318 10.535 1.00 0.57 H new ATOM 0 HE2 LYS A 57 -14.647 -2.808 10.663 1.00 0.63 H new ATOM 0 HE3 LYS A 57 -16.398 -2.752 10.724 1.00 0.63 H new ATOM 0 HZ1 LYS A 57 -15.439 -2.661 12.933 1.00 0.92 H new ATOM 0 HZ2 LYS A 57 -16.342 -4.088 12.750 1.00 0.92 H new ATOM 0 HZ3 LYS A 57 -14.646 -4.143 12.690 1.00 0.92 H new ATOM 1563 N LEU A 58 -15.551 -1.637 6.066 1.00 0.24 N ATOM 1564 CA LEU A 58 -14.416 -1.122 5.312 1.00 0.20 C ATOM 1565 C LEU A 58 -14.012 0.238 5.859 1.00 0.20 C ATOM 1566 O LEU A 58 -12.924 0.393 6.414 1.00 0.22 O ATOM 1567 CB LEU A 58 -14.766 -1.016 3.827 1.00 0.20 C ATOM 1568 CG LEU A 58 -13.719 -0.312 2.964 1.00 0.19 C ATOM 1569 CD1 LEU A 58 -12.339 -0.902 3.208 1.00 0.20 C ATOM 1570 CD2 LEU A 58 -14.098 -0.403 1.494 1.00 0.23 C ATOM 0 H LEU A 58 -16.389 -1.801 5.509 1.00 0.24 H new ATOM 0 HA LEU A 58 -13.578 -1.811 5.418 1.00 0.20 H new ATOM 0 HB2 LEU A 58 -14.923 -2.020 3.434 1.00 0.20 H new ATOM 0 HB3 LEU A 58 -15.712 -0.484 3.729 1.00 0.20 H new ATOM 0 HG LEU A 58 -13.688 0.741 3.244 1.00 0.19 H new ATOM 0 HD11 LEU A 58 -11.608 -0.387 2.584 1.00 0.20 H new ATOM 0 HD12 LEU A 58 -12.071 -0.779 4.257 1.00 0.20 H new ATOM 0 HD13 LEU A 58 -12.347 -1.963 2.957 1.00 0.20 H new ATOM 0 HD21 LEU A 58 -13.343 0.103 0.892 1.00 0.23 H new ATOM 0 HD22 LEU A 58 -14.157 -1.450 1.198 1.00 0.23 H new ATOM 0 HD23 LEU A 58 -15.066 0.073 1.338 1.00 0.23 H new ATOM 1582 N MET A 59 -14.901 1.207 5.674 1.00 0.21 N ATOM 1583 CA MET A 59 -14.786 2.533 6.274 1.00 0.26 C ATOM 1584 C MET A 59 -14.346 2.446 7.734 1.00 0.27 C ATOM 1585 O MET A 59 -13.450 3.159 8.169 1.00 0.33 O ATOM 1586 CB MET A 59 -16.144 3.230 6.216 1.00 0.36 C ATOM 1587 CG MET A 59 -16.040 4.731 6.100 1.00 0.34 C ATOM 1588 SD MET A 59 -15.577 5.233 4.439 1.00 0.72 S ATOM 1589 CE MET A 59 -14.719 6.750 4.806 1.00 0.32 C ATOM 0 H MET A 59 -15.733 1.093 5.096 1.00 0.21 H new ATOM 0 HA MET A 59 -14.037 3.094 5.715 1.00 0.26 H new ATOM 0 HB2 MET A 59 -16.706 2.845 5.365 1.00 0.36 H new ATOM 0 HB3 MET A 59 -16.711 2.980 7.113 1.00 0.36 H new ATOM 0 HG2 MET A 59 -16.995 5.184 6.365 1.00 0.34 H new ATOM 0 HG3 MET A 59 -15.303 5.102 6.812 1.00 0.34 H new ATOM 0 HE1 MET A 59 -14.084 7.022 3.963 1.00 0.32 H new ATOM 0 HE2 MET A 59 -15.444 7.544 4.985 1.00 0.32 H new ATOM 0 HE3 MET A 59 -14.103 6.614 5.695 1.00 0.32 H new ATOM 1599 N SER A 60 -14.999 1.564 8.474 1.00 0.28 N ATOM 1600 CA SER A 60 -14.723 1.359 9.894 1.00 0.35 C ATOM 1601 C SER A 60 -13.248 1.057 10.144 1.00 0.32 C ATOM 1602 O SER A 60 -12.584 1.752 10.912 1.00 0.36 O ATOM 1603 CB SER A 60 -15.559 0.193 10.400 1.00 0.41 C ATOM 1604 OG SER A 60 -15.476 0.050 11.808 1.00 0.64 O ATOM 0 H SER A 60 -15.740 0.966 8.108 1.00 0.28 H new ATOM 0 HA SER A 60 -14.977 2.277 10.424 1.00 0.35 H new ATOM 0 HB2 SER A 60 -16.600 0.341 10.112 1.00 0.41 H new ATOM 0 HB3 SER A 60 -15.224 -0.727 9.922 1.00 0.41 H new ATOM 0 HG SER A 60 -16.028 -0.708 12.093 1.00 0.64 H new ATOM 1610 N ASN A 61 -12.752 0.011 9.496 1.00 0.30 N ATOM 1611 CA ASN A 61 -11.384 -0.448 9.700 1.00 0.31 C ATOM 1612 C ASN A 61 -10.400 0.562 9.148 1.00 0.31 C ATOM 1613 O ASN A 61 -9.339 0.797 9.729 1.00 0.39 O ATOM 1614 CB ASN A 61 -11.184 -1.799 9.033 1.00 0.34 C ATOM 1615 CG ASN A 61 -11.872 -2.935 9.761 1.00 0.43 C ATOM 1616 OD1 ASN A 61 -12.074 -2.886 10.975 1.00 0.95 O ATOM 1617 ND2 ASN A 61 -12.227 -3.977 9.024 1.00 0.57 N ATOM 0 H ASN A 61 -13.281 -0.539 8.820 1.00 0.30 H new ATOM 0 HA ASN A 61 -11.206 -0.554 10.770 1.00 0.31 H new ATOM 0 HB2 ASN A 61 -11.560 -1.751 8.011 1.00 0.34 H new ATOM 0 HB3 ASN A 61 -10.117 -2.011 8.970 1.00 0.34 H new ATOM 0 HD21 ASN A 61 -12.685 -4.777 9.460 1.00 0.57 H new ATOM 0 HD22 ASN A 61 -12.042 -3.979 8.021 1.00 0.57 H new ATOM 1624 N LEU A 62 -10.762 1.136 8.014 1.00 0.30 N ATOM 1625 CA LEU A 62 -9.991 2.224 7.413 1.00 0.33 C ATOM 1626 C LEU A 62 -9.803 3.385 8.377 1.00 0.33 C ATOM 1627 O LEU A 62 -8.672 3.777 8.672 1.00 0.38 O ATOM 1628 CB LEU A 62 -10.677 2.722 6.148 1.00 0.37 C ATOM 1629 CG LEU A 62 -9.853 2.532 4.887 1.00 0.24 C ATOM 1630 CD1 LEU A 62 -9.405 1.093 4.793 1.00 0.52 C ATOM 1631 CD2 LEU A 62 -10.649 2.922 3.657 1.00 0.28 C ATOM 0 H LEU A 62 -11.591 0.868 7.483 1.00 0.30 H new ATOM 0 HA LEU A 62 -9.007 1.825 7.166 1.00 0.33 H new ATOM 0 HB2 LEU A 62 -11.627 2.200 6.032 1.00 0.37 H new ATOM 0 HB3 LEU A 62 -10.907 3.781 6.264 1.00 0.37 H new ATOM 0 HG LEU A 62 -8.978 3.180 4.936 1.00 0.24 H new ATOM 0 HD11 LEU A 62 -8.813 0.955 3.888 1.00 0.52 H new ATOM 0 HD12 LEU A 62 -8.800 0.843 5.664 1.00 0.52 H new ATOM 0 HD13 LEU A 62 -10.278 0.442 4.759 1.00 0.52 H new ATOM 0 HD21 LEU A 62 -10.037 2.777 2.767 1.00 0.28 H new ATOM 0 HD22 LEU A 62 -11.542 2.300 3.589 1.00 0.28 H new ATOM 0 HD23 LEU A 62 -10.941 3.970 3.730 1.00 0.28 H new ATOM 1643 N ASP A 63 -10.914 3.947 8.838 1.00 0.37 N ATOM 1644 CA ASP A 63 -10.884 5.021 9.819 1.00 0.43 C ATOM 1645 C ASP A 63 -10.188 4.561 11.089 1.00 0.38 C ATOM 1646 O ASP A 63 -10.800 3.924 11.951 1.00 0.43 O ATOM 1647 CB ASP A 63 -12.299 5.482 10.171 1.00 0.56 C ATOM 1648 CG ASP A 63 -12.853 6.544 9.245 1.00 0.85 C ATOM 1649 OD1 ASP A 63 -12.670 7.742 9.549 1.00 1.35 O ATOM 1650 OD2 ASP A 63 -13.517 6.190 8.254 1.00 1.56 O ATOM 0 H ASP A 63 -11.852 3.673 8.545 1.00 0.37 H new ATOM 0 HA ASP A 63 -10.335 5.853 9.378 1.00 0.43 H new ATOM 0 HB2 ASP A 63 -12.965 4.619 10.156 1.00 0.56 H new ATOM 0 HB3 ASP A 63 -12.301 5.868 11.190 1.00 0.56 H new ATOM 1655 N SER A 64 -8.910 4.872 11.206 1.00 0.37 N ATOM 1656 CA SER A 64 -8.156 4.498 12.382 1.00 0.41 C ATOM 1657 C SER A 64 -8.431 5.517 13.482 1.00 0.52 C ATOM 1658 O SER A 64 -8.315 5.225 14.675 1.00 0.64 O ATOM 1659 CB SER A 64 -6.658 4.419 12.056 1.00 0.45 C ATOM 1660 OG SER A 64 -6.090 5.710 11.911 1.00 0.58 O ATOM 0 H SER A 64 -8.376 5.381 10.502 1.00 0.37 H new ATOM 0 HA SER A 64 -8.465 3.511 12.725 1.00 0.41 H new ATOM 0 HB2 SER A 64 -6.140 3.879 12.849 1.00 0.45 H new ATOM 0 HB3 SER A 64 -6.514 3.851 11.137 1.00 0.45 H new ATOM 0 HG SER A 64 -6.773 6.333 11.587 1.00 0.58 H new ATOM 1666 N ASN A 65 -8.816 6.717 13.059 1.00 0.60 N ATOM 1667 CA ASN A 65 -9.204 7.777 13.980 1.00 0.83 C ATOM 1668 C ASN A 65 -10.730 7.887 14.041 1.00 0.89 C ATOM 1669 O ASN A 65 -11.283 8.452 14.984 1.00 1.10 O ATOM 1670 CB ASN A 65 -8.596 9.117 13.537 1.00 0.95 C ATOM 1671 CG ASN A 65 -9.446 9.838 12.505 1.00 0.99 C ATOM 1672 OD1 ASN A 65 -10.271 10.683 12.853 1.00 1.52 O ATOM 1673 ND2 ASN A 65 -9.263 9.506 11.233 1.00 1.44 N ATOM 0 H ASN A 65 -8.867 6.980 12.075 1.00 0.60 H new ATOM 0 HA ASN A 65 -8.827 7.533 14.973 1.00 0.83 H new ATOM 0 HB2 ASN A 65 -8.469 9.759 14.409 1.00 0.95 H new ATOM 0 HB3 ASN A 65 -7.603 8.941 13.124 1.00 0.95 H new ATOM 0 HD21 ASN A 65 -9.816 9.956 10.504 1.00 1.44 H new ATOM 0 HD22 ASN A 65 -8.569 8.801 10.985 1.00 1.44 H new ATOM 1680 N ARG A 66 -11.390 7.326 13.025 1.00 0.79 N ATOM 1681 CA ARG A 66 -12.851 7.357 12.902 1.00 0.98 C ATOM 1682 C ARG A 66 -13.381 8.787 12.797 1.00 1.05 C ATOM 1683 O ARG A 66 -13.859 9.357 13.780 1.00 1.34 O ATOM 1684 CB ARG A 66 -13.534 6.626 14.070 1.00 1.26 C ATOM 1685 CG ARG A 66 -13.313 5.118 14.078 1.00 1.46 C ATOM 1686 CD ARG A 66 -13.920 4.450 12.851 1.00 1.25 C ATOM 1687 NE ARG A 66 -15.372 4.620 12.782 1.00 1.91 N ATOM 1688 CZ ARG A 66 -16.058 4.748 11.644 1.00 2.60 C ATOM 1689 NH1 ARG A 66 -15.428 4.740 10.475 1.00 2.85 N ATOM 1690 NH2 ARG A 66 -17.380 4.880 11.673 1.00 3.45 N ATOM 0 H ARG A 66 -10.925 6.835 12.261 1.00 0.79 H new ATOM 0 HA ARG A 66 -13.096 6.833 11.978 1.00 0.98 H new ATOM 0 HB2 ARG A 66 -13.166 7.041 15.008 1.00 1.26 H new ATOM 0 HB3 ARG A 66 -14.605 6.825 14.032 1.00 1.26 H new ATOM 0 HG2 ARG A 66 -12.244 4.908 14.115 1.00 1.46 H new ATOM 0 HG3 ARG A 66 -13.753 4.691 14.979 1.00 1.46 H new ATOM 0 HD2 ARG A 66 -13.465 4.866 11.952 1.00 1.25 H new ATOM 0 HD3 ARG A 66 -13.682 3.386 12.865 1.00 1.25 H new ATOM 0 HE ARG A 66 -15.893 4.642 13.659 1.00 1.91 H new ATOM 0 HH11 ARG A 66 -14.414 4.636 10.443 1.00 2.85 H new ATOM 0 HH12 ARG A 66 -15.958 4.838 9.609 1.00 2.85 H new ATOM 0 HH21 ARG A 66 -17.873 4.884 12.566 1.00 3.45 H new ATOM 0 HH22 ARG A 66 -17.902 4.978 10.802 1.00 3.45 H new ATOM 1704 N ASP A 67 -13.279 9.370 11.610 1.00 0.86 N ATOM 1705 CA ASP A 67 -13.852 10.692 11.362 1.00 1.00 C ATOM 1706 C ASP A 67 -14.689 10.679 10.088 1.00 0.88 C ATOM 1707 O ASP A 67 -15.311 11.683 9.733 1.00 0.94 O ATOM 1708 CB ASP A 67 -12.767 11.775 11.285 1.00 1.13 C ATOM 1709 CG ASP A 67 -12.021 11.798 9.964 1.00 1.57 C ATOM 1710 OD1 ASP A 67 -11.141 10.940 9.757 1.00 2.02 O ATOM 1711 OD2 ASP A 67 -12.296 12.700 9.142 1.00 2.08 O ATOM 0 H ASP A 67 -12.808 8.954 10.806 1.00 0.86 H new ATOM 0 HA ASP A 67 -14.499 10.936 12.205 1.00 1.00 H new ATOM 0 HB2 ASP A 67 -13.227 12.750 11.450 1.00 1.13 H new ATOM 0 HB3 ASP A 67 -12.052 11.619 12.093 1.00 1.13 H new ATOM 1716 N ASN A 68 -14.689 9.528 9.409 1.00 0.77 N ATOM 1717 CA ASN A 68 -15.531 9.281 8.231 1.00 0.74 C ATOM 1718 C ASN A 68 -14.983 9.981 6.994 1.00 0.65 C ATOM 1719 O ASN A 68 -15.666 10.098 5.976 1.00 0.66 O ATOM 1720 CB ASN A 68 -16.989 9.689 8.478 1.00 0.92 C ATOM 1721 CG ASN A 68 -17.679 8.821 9.505 1.00 1.13 C ATOM 1722 OD1 ASN A 68 -18.133 7.718 9.208 1.00 1.54 O ATOM 1723 ND2 ASN A 68 -17.801 9.341 10.705 1.00 1.75 N ATOM 0 H ASN A 68 -14.101 8.734 9.662 1.00 0.77 H new ATOM 0 HA ASN A 68 -15.510 8.206 8.050 1.00 0.74 H new ATOM 0 HB2 ASN A 68 -17.019 10.727 8.809 1.00 0.92 H new ATOM 0 HB3 ASN A 68 -17.539 9.638 7.538 1.00 0.92 H new ATOM 0 HD21 ASN A 68 -18.289 8.825 11.437 1.00 1.75 H new ATOM 0 HD22 ASN A 68 -17.407 10.261 10.905 1.00 1.75 H new ATOM 1730 N GLU A 69 -13.745 10.428 7.084 1.00 0.64 N ATOM 1731 CA GLU A 69 -13.041 11.001 5.949 1.00 0.63 C ATOM 1732 C GLU A 69 -11.648 10.406 5.895 1.00 0.54 C ATOM 1733 O GLU A 69 -10.752 10.849 6.613 1.00 0.65 O ATOM 1734 CB GLU A 69 -12.946 12.526 6.066 1.00 0.82 C ATOM 1735 CG GLU A 69 -14.272 13.253 5.917 1.00 0.95 C ATOM 1736 CD GLU A 69 -14.185 14.704 6.348 1.00 1.13 C ATOM 1737 OE1 GLU A 69 -13.245 15.410 5.915 1.00 1.59 O ATOM 1738 OE2 GLU A 69 -15.036 15.141 7.151 1.00 1.65 O ATOM 0 H GLU A 69 -13.198 10.405 7.945 1.00 0.64 H new ATOM 0 HA GLU A 69 -13.592 10.770 5.037 1.00 0.63 H new ATOM 0 HB2 GLU A 69 -12.515 12.777 7.035 1.00 0.82 H new ATOM 0 HB3 GLU A 69 -12.257 12.894 5.306 1.00 0.82 H new ATOM 0 HG2 GLU A 69 -14.596 13.204 4.877 1.00 0.95 H new ATOM 0 HG3 GLU A 69 -15.031 12.745 6.511 1.00 0.95 H new ATOM 1745 N VAL A 70 -11.462 9.405 5.051 1.00 0.40 N ATOM 1746 CA VAL A 70 -10.201 8.688 5.012 1.00 0.31 C ATOM 1747 C VAL A 70 -9.096 9.556 4.438 1.00 0.33 C ATOM 1748 O VAL A 70 -8.981 9.717 3.222 1.00 0.39 O ATOM 1749 CB VAL A 70 -10.308 7.379 4.203 1.00 0.28 C ATOM 1750 CG1 VAL A 70 -8.954 6.706 4.061 1.00 0.32 C ATOM 1751 CG2 VAL A 70 -11.297 6.433 4.857 1.00 0.29 C ATOM 0 H VAL A 70 -12.163 9.073 4.389 1.00 0.40 H new ATOM 0 HA VAL A 70 -9.954 8.432 6.042 1.00 0.31 H new ATOM 0 HB VAL A 70 -10.666 7.632 3.205 1.00 0.28 H new ATOM 0 HG11 VAL A 70 -9.063 5.786 3.486 1.00 0.32 H new ATOM 0 HG12 VAL A 70 -8.267 7.377 3.546 1.00 0.32 H new ATOM 0 HG13 VAL A 70 -8.559 6.471 5.049 1.00 0.32 H new ATOM 0 HG21 VAL A 70 -11.361 5.514 4.274 1.00 0.29 H new ATOM 0 HG22 VAL A 70 -10.963 6.199 5.868 1.00 0.29 H new ATOM 0 HG23 VAL A 70 -12.279 6.905 4.899 1.00 0.29 H new ATOM 1761 N ASP A 71 -8.305 10.132 5.334 1.00 0.36 N ATOM 1762 CA ASP A 71 -7.105 10.860 4.952 1.00 0.40 C ATOM 1763 C ASP A 71 -6.112 9.875 4.352 1.00 0.32 C ATOM 1764 O ASP A 71 -6.267 8.668 4.526 1.00 0.29 O ATOM 1765 CB ASP A 71 -6.509 11.561 6.180 1.00 0.49 C ATOM 1766 CG ASP A 71 -5.236 12.328 5.876 1.00 0.61 C ATOM 1767 OD1 ASP A 71 -5.326 13.477 5.395 1.00 1.32 O ATOM 1768 OD2 ASP A 71 -4.140 11.783 6.132 1.00 1.22 O ATOM 0 H ASP A 71 -8.477 10.108 6.339 1.00 0.36 H new ATOM 0 HA ASP A 71 -7.344 11.624 4.212 1.00 0.40 H new ATOM 0 HB2 ASP A 71 -7.249 12.248 6.592 1.00 0.49 H new ATOM 0 HB3 ASP A 71 -6.301 10.817 6.949 1.00 0.49 H new ATOM 1773 N PHE A 72 -5.101 10.367 3.653 1.00 0.36 N ATOM 1774 CA PHE A 72 -4.165 9.485 2.969 1.00 0.36 C ATOM 1775 C PHE A 72 -3.482 8.535 3.948 1.00 0.30 C ATOM 1776 O PHE A 72 -3.121 7.411 3.591 1.00 0.39 O ATOM 1777 CB PHE A 72 -3.120 10.284 2.201 1.00 0.51 C ATOM 1778 CG PHE A 72 -2.383 9.448 1.197 1.00 0.58 C ATOM 1779 CD1 PHE A 72 -3.029 8.409 0.544 1.00 1.38 C ATOM 1780 CD2 PHE A 72 -1.063 9.700 0.894 1.00 1.26 C ATOM 1781 CE1 PHE A 72 -2.376 7.639 -0.381 1.00 1.46 C ATOM 1782 CE2 PHE A 72 -0.403 8.931 -0.034 1.00 1.29 C ATOM 1783 CZ PHE A 72 -1.056 7.899 -0.670 1.00 0.78 C ATOM 0 H PHE A 72 -4.907 11.363 3.544 1.00 0.36 H new ATOM 0 HA PHE A 72 -4.740 8.891 2.258 1.00 0.36 H new ATOM 0 HB2 PHE A 72 -3.606 11.115 1.690 1.00 0.51 H new ATOM 0 HB3 PHE A 72 -2.407 10.715 2.904 1.00 0.51 H new ATOM 0 HD1 PHE A 72 -4.065 8.204 0.769 1.00 1.38 H new ATOM 0 HD2 PHE A 72 -0.544 10.507 1.389 1.00 1.26 H new ATOM 0 HE1 PHE A 72 -2.893 6.833 -0.880 1.00 1.46 H new ATOM 0 HE2 PHE A 72 0.632 9.137 -0.265 1.00 1.29 H new ATOM 0 HZ PHE A 72 -0.532 7.294 -1.395 1.00 0.78 H new ATOM 1793 N GLN A 73 -3.326 8.989 5.180 1.00 0.30 N ATOM 1794 CA GLN A 73 -2.786 8.154 6.244 1.00 0.41 C ATOM 1795 C GLN A 73 -3.653 6.915 6.445 1.00 0.38 C ATOM 1796 O GLN A 73 -3.141 5.818 6.636 1.00 0.44 O ATOM 1797 CB GLN A 73 -2.696 8.951 7.548 1.00 0.61 C ATOM 1798 CG GLN A 73 -1.614 10.022 7.538 1.00 0.85 C ATOM 1799 CD GLN A 73 -0.217 9.458 7.738 1.00 0.83 C ATOM 1800 OE1 GLN A 73 0.762 9.981 7.202 1.00 1.20 O ATOM 1801 NE2 GLN A 73 -0.106 8.411 8.541 1.00 1.48 N ATOM 0 H GLN A 73 -3.567 9.937 5.471 1.00 0.30 H new ATOM 0 HA GLN A 73 -1.785 7.834 5.956 1.00 0.41 H new ATOM 0 HB2 GLN A 73 -3.659 9.422 7.742 1.00 0.61 H new ATOM 0 HB3 GLN A 73 -2.506 8.263 8.372 1.00 0.61 H new ATOM 0 HG2 GLN A 73 -1.651 10.559 6.590 1.00 0.85 H new ATOM 0 HG3 GLN A 73 -1.822 10.748 8.324 1.00 0.85 H new ATOM 0 HE21 GLN A 73 -0.939 8.004 8.967 1.00 1.48 H new ATOM 0 HE22 GLN A 73 0.812 8.011 8.734 1.00 1.48 H new ATOM 1810 N GLU A 74 -4.969 7.084 6.362 1.00 0.34 N ATOM 1811 CA GLU A 74 -5.889 5.971 6.559 1.00 0.37 C ATOM 1812 C GLU A 74 -6.020 5.180 5.256 1.00 0.32 C ATOM 1813 O GLU A 74 -6.497 4.047 5.236 1.00 0.36 O ATOM 1814 CB GLU A 74 -7.276 6.482 6.981 1.00 0.44 C ATOM 1815 CG GLU A 74 -7.259 7.682 7.921 1.00 0.52 C ATOM 1816 CD GLU A 74 -6.760 7.358 9.315 1.00 0.58 C ATOM 1817 OE1 GLU A 74 -5.532 7.330 9.521 1.00 1.16 O ATOM 1818 OE2 GLU A 74 -7.600 7.145 10.221 1.00 1.29 O ATOM 0 H GLU A 74 -5.420 7.977 6.161 1.00 0.34 H new ATOM 0 HA GLU A 74 -5.494 5.330 7.347 1.00 0.37 H new ATOM 0 HB2 GLU A 74 -7.837 6.748 6.085 1.00 0.44 H new ATOM 0 HB3 GLU A 74 -7.816 5.668 7.465 1.00 0.44 H new ATOM 0 HG2 GLU A 74 -6.628 8.460 7.491 1.00 0.52 H new ATOM 0 HG3 GLU A 74 -8.267 8.091 7.992 1.00 0.52 H new ATOM 1825 N TYR A 75 -5.582 5.797 4.165 1.00 0.26 N ATOM 1826 CA TYR A 75 -5.777 5.237 2.834 1.00 0.25 C ATOM 1827 C TYR A 75 -4.615 4.334 2.414 1.00 0.24 C ATOM 1828 O TYR A 75 -4.811 3.384 1.655 1.00 0.28 O ATOM 1829 CB TYR A 75 -5.975 6.367 1.819 1.00 0.25 C ATOM 1830 CG TYR A 75 -6.245 5.878 0.417 1.00 0.26 C ATOM 1831 CD1 TYR A 75 -7.529 5.529 0.017 1.00 1.17 C ATOM 1832 CD2 TYR A 75 -5.212 5.760 -0.502 1.00 1.27 C ATOM 1833 CE1 TYR A 75 -7.770 5.077 -1.267 1.00 1.17 C ATOM 1834 CE2 TYR A 75 -5.448 5.308 -1.786 1.00 1.30 C ATOM 1835 CZ TYR A 75 -6.726 4.968 -2.163 1.00 0.38 C ATOM 1836 OH TYR A 75 -6.963 4.519 -3.440 1.00 0.47 O ATOM 0 H TYR A 75 -5.087 6.689 4.177 1.00 0.26 H new ATOM 0 HA TYR A 75 -6.671 4.614 2.862 1.00 0.25 H new ATOM 0 HB2 TYR A 75 -6.806 6.994 2.143 1.00 0.25 H new ATOM 0 HB3 TYR A 75 -5.085 6.997 1.810 1.00 0.25 H new ATOM 0 HD1 TYR A 75 -8.348 5.612 0.717 1.00 1.17 H new ATOM 0 HD2 TYR A 75 -4.207 6.026 -0.209 1.00 1.27 H new ATOM 0 HE1 TYR A 75 -8.772 4.810 -1.568 1.00 1.17 H new ATOM 0 HE2 TYR A 75 -4.633 5.222 -2.490 1.00 1.30 H new ATOM 0 HH TYR A 75 -6.556 5.135 -4.084 1.00 0.47 H new ATOM 1846 N CYS A 76 -3.411 4.624 2.893 1.00 0.22 N ATOM 1847 CA CYS A 76 -2.257 3.782 2.581 1.00 0.21 C ATOM 1848 C CYS A 76 -2.498 2.368 3.081 1.00 0.15 C ATOM 1849 O CYS A 76 -2.246 1.385 2.380 1.00 0.17 O ATOM 1850 CB CYS A 76 -0.987 4.341 3.227 1.00 0.27 C ATOM 1851 SG CYS A 76 -1.025 4.411 5.030 1.00 1.65 S ATOM 0 H CYS A 76 -3.207 5.424 3.491 1.00 0.22 H new ATOM 0 HA CYS A 76 -2.125 3.771 1.499 1.00 0.21 H new ATOM 0 HB2 CYS A 76 -0.139 3.729 2.919 1.00 0.27 H new ATOM 0 HB3 CYS A 76 -0.812 5.345 2.842 1.00 0.27 H new ATOM 0 HG CYS A 76 -0.287 5.399 5.442 1.00 1.65 H new ATOM 1857 N VAL A 77 -3.013 2.285 4.294 1.00 0.16 N ATOM 1858 CA VAL A 77 -3.257 1.016 4.938 1.00 0.17 C ATOM 1859 C VAL A 77 -4.473 0.331 4.345 1.00 0.17 C ATOM 1860 O VAL A 77 -4.626 -0.876 4.476 1.00 0.19 O ATOM 1861 CB VAL A 77 -3.421 1.186 6.451 1.00 0.20 C ATOM 1862 CG1 VAL A 77 -2.151 1.774 7.027 1.00 0.23 C ATOM 1863 CG2 VAL A 77 -4.616 2.066 6.786 1.00 0.19 C ATOM 0 H VAL A 77 -3.272 3.096 4.856 1.00 0.16 H new ATOM 0 HA VAL A 77 -2.387 0.383 4.761 1.00 0.17 H new ATOM 0 HB VAL A 77 -3.605 0.207 6.894 1.00 0.20 H new ATOM 0 HG11 VAL A 77 -2.263 1.897 8.104 1.00 0.23 H new ATOM 0 HG12 VAL A 77 -1.315 1.105 6.823 1.00 0.23 H new ATOM 0 HG13 VAL A 77 -1.959 2.744 6.569 1.00 0.23 H new ATOM 0 HG21 VAL A 77 -4.703 2.165 7.868 1.00 0.19 H new ATOM 0 HG22 VAL A 77 -4.478 3.051 6.341 1.00 0.19 H new ATOM 0 HG23 VAL A 77 -5.524 1.613 6.389 1.00 0.19 H new ATOM 1873 N PHE A 78 -5.328 1.108 3.692 1.00 0.20 N ATOM 1874 CA PHE A 78 -6.416 0.548 2.926 1.00 0.22 C ATOM 1875 C PHE A 78 -5.839 -0.428 1.919 1.00 0.19 C ATOM 1876 O PHE A 78 -6.010 -1.631 2.052 1.00 0.18 O ATOM 1877 CB PHE A 78 -7.189 1.674 2.219 1.00 0.30 C ATOM 1878 CG PHE A 78 -8.178 1.222 1.182 1.00 0.22 C ATOM 1879 CD1 PHE A 78 -9.210 0.349 1.491 1.00 1.21 C ATOM 1880 CD2 PHE A 78 -8.063 1.687 -0.113 1.00 1.19 C ATOM 1881 CE1 PHE A 78 -10.109 -0.049 0.518 1.00 1.20 C ATOM 1882 CE2 PHE A 78 -8.953 1.298 -1.086 1.00 1.21 C ATOM 1883 CZ PHE A 78 -9.980 0.429 -0.773 1.00 0.22 C ATOM 0 H PHE A 78 -5.283 2.127 3.682 1.00 0.20 H new ATOM 0 HA PHE A 78 -7.112 0.023 3.580 1.00 0.22 H new ATOM 0 HB2 PHE A 78 -7.719 2.257 2.972 1.00 0.30 H new ATOM 0 HB3 PHE A 78 -6.471 2.343 1.745 1.00 0.30 H new ATOM 0 HD1 PHE A 78 -9.313 -0.023 2.500 1.00 1.21 H new ATOM 0 HD2 PHE A 78 -7.262 2.366 -0.365 1.00 1.19 H new ATOM 0 HE1 PHE A 78 -10.909 -0.731 0.766 1.00 1.20 H new ATOM 0 HE2 PHE A 78 -8.849 1.672 -2.094 1.00 1.21 H new ATOM 0 HZ PHE A 78 -10.681 0.123 -1.535 1.00 0.22 H new ATOM 1893 N LEU A 79 -5.072 0.103 0.983 1.00 0.20 N ATOM 1894 CA LEU A 79 -4.576 -0.670 -0.139 1.00 0.19 C ATOM 1895 C LEU A 79 -3.565 -1.729 0.249 1.00 0.16 C ATOM 1896 O LEU A 79 -3.709 -2.883 -0.126 1.00 0.18 O ATOM 1897 CB LEU A 79 -3.982 0.259 -1.184 1.00 0.22 C ATOM 1898 CG LEU A 79 -5.038 1.008 -1.975 1.00 0.15 C ATOM 1899 CD1 LEU A 79 -4.412 1.807 -3.096 1.00 0.16 C ATOM 1900 CD2 LEU A 79 -6.058 0.018 -2.502 1.00 0.16 C ATOM 0 H LEU A 79 -4.777 1.079 0.980 1.00 0.20 H new ATOM 0 HA LEU A 79 -5.434 -1.203 -0.549 1.00 0.19 H new ATOM 0 HB2 LEU A 79 -3.325 0.977 -0.693 1.00 0.22 H new ATOM 0 HB3 LEU A 79 -3.365 -0.321 -1.870 1.00 0.22 H new ATOM 0 HG LEU A 79 -5.542 1.720 -1.321 1.00 0.15 H new ATOM 0 HD11 LEU A 79 -5.191 2.334 -3.647 1.00 0.16 H new ATOM 0 HD12 LEU A 79 -3.710 2.530 -2.680 1.00 0.16 H new ATOM 0 HD13 LEU A 79 -3.883 1.134 -3.771 1.00 0.16 H new ATOM 0 HD21 LEU A 79 -6.820 0.549 -3.072 1.00 0.16 H new ATOM 0 HD22 LEU A 79 -5.562 -0.707 -3.148 1.00 0.16 H new ATOM 0 HD23 LEU A 79 -6.526 -0.502 -1.666 1.00 0.16 H new ATOM 1912 N SER A 80 -2.555 -1.360 0.996 1.00 0.15 N ATOM 1913 CA SER A 80 -1.493 -2.299 1.301 1.00 0.15 C ATOM 1914 C SER A 80 -2.032 -3.511 2.052 1.00 0.15 C ATOM 1915 O SER A 80 -1.512 -4.617 1.931 1.00 0.18 O ATOM 1916 CB SER A 80 -0.404 -1.599 2.083 1.00 0.17 C ATOM 1917 OG SER A 80 0.190 -0.587 1.298 1.00 0.23 O ATOM 0 H SER A 80 -2.441 -0.431 1.401 1.00 0.15 H new ATOM 0 HA SER A 80 -1.066 -2.667 0.368 1.00 0.15 H new ATOM 0 HB2 SER A 80 -0.821 -1.166 2.992 1.00 0.17 H new ATOM 0 HB3 SER A 80 0.353 -2.320 2.392 1.00 0.17 H new ATOM 0 HG SER A 80 1.166 -0.667 1.345 1.00 0.23 H new ATOM 1923 N CYS A 81 -3.099 -3.307 2.799 1.00 0.14 N ATOM 1924 CA CYS A 81 -3.747 -4.401 3.486 1.00 0.15 C ATOM 1925 C CYS A 81 -4.650 -5.183 2.541 1.00 0.14 C ATOM 1926 O CYS A 81 -5.004 -6.327 2.819 1.00 0.16 O ATOM 1927 CB CYS A 81 -4.515 -3.876 4.685 1.00 0.17 C ATOM 1928 SG CYS A 81 -3.430 -3.232 5.975 1.00 0.22 S ATOM 0 H CYS A 81 -3.533 -2.395 2.944 1.00 0.14 H new ATOM 0 HA CYS A 81 -2.984 -5.092 3.844 1.00 0.15 H new ATOM 0 HB2 CYS A 81 -5.195 -3.088 4.360 1.00 0.17 H new ATOM 0 HB3 CYS A 81 -5.129 -4.677 5.098 1.00 0.17 H new ATOM 0 HG CYS A 81 -2.424 -2.616 5.428 1.00 0.22 H new ATOM 1934 N ILE A 82 -4.997 -4.588 1.405 1.00 0.13 N ATOM 1935 CA ILE A 82 -5.791 -5.299 0.418 1.00 0.14 C ATOM 1936 C ILE A 82 -4.882 -6.199 -0.405 1.00 0.17 C ATOM 1937 O ILE A 82 -5.358 -7.110 -1.043 1.00 0.21 O ATOM 1938 CB ILE A 82 -6.598 -4.386 -0.539 1.00 0.15 C ATOM 1939 CG1 ILE A 82 -7.267 -3.252 0.212 1.00 0.15 C ATOM 1940 CG2 ILE A 82 -7.676 -5.193 -1.249 1.00 0.16 C ATOM 1941 CD1 ILE A 82 -8.026 -2.313 -0.691 1.00 0.18 C ATOM 0 H ILE A 82 -4.745 -3.633 1.150 1.00 0.13 H new ATOM 0 HA ILE A 82 -6.526 -5.873 0.983 1.00 0.14 H new ATOM 0 HB ILE A 82 -5.895 -3.971 -1.262 1.00 0.15 H new ATOM 0 HG12 ILE A 82 -7.951 -3.668 0.952 1.00 0.15 H new ATOM 0 HG13 ILE A 82 -6.510 -2.689 0.758 1.00 0.15 H new ATOM 0 HG21 ILE A 82 -8.237 -4.541 -1.919 1.00 0.16 H new ATOM 0 HG22 ILE A 82 -7.211 -5.993 -1.826 1.00 0.16 H new ATOM 0 HG23 ILE A 82 -8.353 -5.624 -0.511 1.00 0.16 H new ATOM 0 HD11 ILE A 82 -8.482 -1.523 -0.094 1.00 0.18 H new ATOM 0 HD12 ILE A 82 -7.341 -1.871 -1.415 1.00 0.18 H new ATOM 0 HD13 ILE A 82 -8.804 -2.865 -1.218 1.00 0.18 H new ATOM 1953 N ALA A 83 -3.571 -5.934 -0.427 1.00 0.18 N ATOM 1954 CA ALA A 83 -2.631 -6.927 -0.938 1.00 0.23 C ATOM 1955 C ALA A 83 -2.733 -8.207 -0.137 1.00 0.20 C ATOM 1956 O ALA A 83 -3.008 -9.280 -0.677 1.00 0.21 O ATOM 1957 CB ALA A 83 -1.219 -6.423 -0.849 1.00 0.30 C ATOM 0 H ALA A 83 -3.149 -5.063 -0.105 1.00 0.18 H new ATOM 0 HA ALA A 83 -2.885 -7.116 -1.981 1.00 0.23 H new ATOM 0 HB1 ALA A 83 -0.537 -7.181 -1.236 1.00 0.30 H new ATOM 0 HB2 ALA A 83 -1.120 -5.511 -1.438 1.00 0.30 H new ATOM 0 HB3 ALA A 83 -0.973 -6.211 0.192 1.00 0.30 H new ATOM 1963 N MET A 84 -2.495 -8.077 1.162 1.00 0.22 N ATOM 1964 CA MET A 84 -2.600 -9.204 2.083 1.00 0.25 C ATOM 1965 C MET A 84 -3.967 -9.863 1.959 1.00 0.24 C ATOM 1966 O MET A 84 -4.089 -11.089 1.983 1.00 0.28 O ATOM 1967 CB MET A 84 -2.380 -8.750 3.525 1.00 0.30 C ATOM 1968 CG MET A 84 -0.956 -8.321 3.824 1.00 0.34 C ATOM 1969 SD MET A 84 -0.754 -7.759 5.523 1.00 0.36 S ATOM 1970 CE MET A 84 -1.814 -6.314 5.518 1.00 0.20 C ATOM 0 H MET A 84 -2.227 -7.198 1.604 1.00 0.22 H new ATOM 0 HA MET A 84 -1.827 -9.926 1.821 1.00 0.25 H new ATOM 0 HB2 MET A 84 -3.052 -7.919 3.741 1.00 0.30 H new ATOM 0 HB3 MET A 84 -2.653 -9.563 4.197 1.00 0.30 H new ATOM 0 HG2 MET A 84 -0.281 -9.156 3.637 1.00 0.34 H new ATOM 0 HG3 MET A 84 -0.669 -7.520 3.142 1.00 0.34 H new ATOM 0 HE1 MET A 84 -1.841 -5.879 6.517 1.00 0.20 H new ATOM 0 HE2 MET A 84 -1.425 -5.580 4.813 1.00 0.20 H new ATOM 0 HE3 MET A 84 -2.822 -6.603 5.221 1.00 0.20 H new ATOM 1980 N MET A 85 -4.987 -9.036 1.813 1.00 0.25 N ATOM 1981 CA MET A 85 -6.344 -9.517 1.653 1.00 0.36 C ATOM 1982 C MET A 85 -6.545 -10.159 0.268 1.00 0.33 C ATOM 1983 O MET A 85 -7.171 -11.213 0.152 1.00 0.43 O ATOM 1984 CB MET A 85 -7.336 -8.370 1.887 1.00 0.62 C ATOM 1985 CG MET A 85 -8.783 -8.798 1.758 1.00 0.77 C ATOM 1986 SD MET A 85 -9.487 -8.351 0.164 1.00 0.67 S ATOM 1987 CE MET A 85 -10.198 -6.757 0.564 1.00 0.30 C ATOM 0 H MET A 85 -4.898 -8.020 1.802 1.00 0.25 H new ATOM 0 HA MET A 85 -6.531 -10.291 2.397 1.00 0.36 H new ATOM 0 HB2 MET A 85 -7.174 -7.955 2.882 1.00 0.62 H new ATOM 0 HB3 MET A 85 -7.135 -7.572 1.172 1.00 0.62 H new ATOM 0 HG2 MET A 85 -8.854 -9.877 1.894 1.00 0.77 H new ATOM 0 HG3 MET A 85 -9.368 -8.337 2.554 1.00 0.77 H new ATOM 0 HE1 MET A 85 -10.551 -6.277 -0.349 1.00 0.30 H new ATOM 0 HE2 MET A 85 -11.035 -6.893 1.249 1.00 0.30 H new ATOM 0 HE3 MET A 85 -9.442 -6.129 1.035 1.00 0.30 H new ATOM 1997 N CYS A 86 -5.987 -9.537 -0.773 1.00 0.32 N ATOM 1998 CA CYS A 86 -6.098 -10.042 -2.142 1.00 0.43 C ATOM 1999 C CYS A 86 -5.454 -11.412 -2.286 1.00 0.43 C ATOM 2000 O CYS A 86 -5.838 -12.184 -3.154 1.00 0.58 O ATOM 2001 CB CYS A 86 -5.445 -9.070 -3.131 1.00 0.49 C ATOM 2002 SG CYS A 86 -5.493 -9.606 -4.859 1.00 0.57 S ATOM 0 H CYS A 86 -5.449 -8.674 -0.691 1.00 0.32 H new ATOM 0 HA CYS A 86 -7.161 -10.132 -2.367 1.00 0.43 H new ATOM 0 HB2 CYS A 86 -5.941 -8.103 -3.051 1.00 0.49 H new ATOM 0 HB3 CYS A 86 -4.405 -8.920 -2.840 1.00 0.49 H new ATOM 0 HG CYS A 86 -6.326 -8.860 -5.522 1.00 0.57 H new ATOM 2008 N ASN A 87 -4.479 -11.716 -1.436 1.00 0.36 N ATOM 2009 CA ASN A 87 -3.781 -13.002 -1.497 1.00 0.44 C ATOM 2010 C ASN A 87 -4.774 -14.165 -1.428 1.00 0.47 C ATOM 2011 O ASN A 87 -4.527 -15.243 -1.972 1.00 0.54 O ATOM 2012 CB ASN A 87 -2.755 -13.109 -0.366 1.00 0.54 C ATOM 2013 CG ASN A 87 -1.907 -14.363 -0.467 1.00 0.72 C ATOM 2014 OD1 ASN A 87 -2.234 -15.397 0.109 1.00 1.43 O ATOM 2015 ND2 ASN A 87 -0.810 -14.275 -1.202 1.00 1.23 N ATOM 0 H ASN A 87 -4.152 -11.093 -0.697 1.00 0.36 H new ATOM 0 HA ASN A 87 -3.256 -13.058 -2.450 1.00 0.44 H new ATOM 0 HB2 ASN A 87 -2.106 -12.233 -0.384 1.00 0.54 H new ATOM 0 HB3 ASN A 87 -3.274 -13.101 0.593 1.00 0.54 H new ATOM 0 HD21 ASN A 87 -0.200 -15.086 -1.306 1.00 1.23 H new ATOM 0 HD22 ASN A 87 -0.575 -13.397 -1.664 1.00 1.23 H new ATOM 2022 N GLU A 88 -5.906 -13.921 -0.782 1.00 0.56 N ATOM 2023 CA GLU A 88 -6.972 -14.908 -0.680 1.00 0.70 C ATOM 2024 C GLU A 88 -7.661 -15.103 -2.035 1.00 0.73 C ATOM 2025 O GLU A 88 -7.942 -16.227 -2.447 1.00 0.82 O ATOM 2026 CB GLU A 88 -7.985 -14.446 0.369 1.00 0.96 C ATOM 2027 CG GLU A 88 -9.077 -15.456 0.677 1.00 1.81 C ATOM 2028 CD GLU A 88 -10.093 -14.914 1.661 1.00 2.18 C ATOM 2029 OE1 GLU A 88 -9.703 -14.573 2.797 1.00 2.60 O ATOM 2030 OE2 GLU A 88 -11.288 -14.823 1.306 1.00 2.78 O ATOM 0 H GLU A 88 -6.111 -13.037 -0.316 1.00 0.56 H new ATOM 0 HA GLU A 88 -6.546 -15.865 -0.379 1.00 0.70 H new ATOM 0 HB2 GLU A 88 -7.453 -14.212 1.291 1.00 0.96 H new ATOM 0 HB3 GLU A 88 -8.449 -13.521 0.025 1.00 0.96 H new ATOM 0 HG2 GLU A 88 -9.582 -15.737 -0.247 1.00 1.81 H new ATOM 0 HG3 GLU A 88 -8.628 -16.363 1.083 1.00 1.81 H new ATOM 2037 N PHE A 89 -7.900 -13.998 -2.733 1.00 0.78 N ATOM 2038 CA PHE A 89 -8.645 -14.016 -3.990 1.00 0.98 C ATOM 2039 C PHE A 89 -7.730 -14.264 -5.188 1.00 0.94 C ATOM 2040 O PHE A 89 -8.155 -14.830 -6.196 1.00 1.28 O ATOM 2041 CB PHE A 89 -9.393 -12.694 -4.176 1.00 1.19 C ATOM 2042 CG PHE A 89 -10.447 -12.449 -3.135 1.00 1.49 C ATOM 2043 CD1 PHE A 89 -10.135 -11.792 -1.956 1.00 2.09 C ATOM 2044 CD2 PHE A 89 -11.749 -12.876 -3.338 1.00 2.23 C ATOM 2045 CE1 PHE A 89 -11.103 -11.568 -0.998 1.00 2.74 C ATOM 2046 CE2 PHE A 89 -12.721 -12.653 -2.383 1.00 2.94 C ATOM 2047 CZ PHE A 89 -12.398 -11.999 -1.211 1.00 3.02 C ATOM 0 H PHE A 89 -7.586 -13.070 -2.448 1.00 0.78 H new ATOM 0 HA PHE A 89 -9.359 -14.838 -3.938 1.00 0.98 H new ATOM 0 HB2 PHE A 89 -8.675 -11.874 -4.155 1.00 1.19 H new ATOM 0 HB3 PHE A 89 -9.858 -12.685 -5.162 1.00 1.19 H new ATOM 0 HD1 PHE A 89 -9.124 -11.452 -1.785 1.00 2.09 H new ATOM 0 HD2 PHE A 89 -12.007 -13.389 -4.253 1.00 2.23 H new ATOM 0 HE1 PHE A 89 -10.848 -11.056 -0.082 1.00 2.74 H new ATOM 0 HE2 PHE A 89 -13.733 -12.990 -2.553 1.00 2.94 H new ATOM 0 HZ PHE A 89 -13.156 -11.825 -0.462 1.00 3.02 H new ATOM 2057 N PHE A 90 -6.478 -13.829 -5.072 1.00 0.69 N ATOM 2058 CA PHE A 90 -5.487 -14.016 -6.129 1.00 0.84 C ATOM 2059 C PHE A 90 -5.315 -15.504 -6.413 1.00 1.24 C ATOM 2060 O PHE A 90 -5.186 -15.922 -7.565 1.00 1.57 O ATOM 2061 CB PHE A 90 -4.153 -13.387 -5.721 1.00 0.96 C ATOM 2062 CG PHE A 90 -3.159 -13.278 -6.845 1.00 1.08 C ATOM 2063 CD1 PHE A 90 -3.298 -12.298 -7.815 1.00 1.75 C ATOM 2064 CD2 PHE A 90 -2.083 -14.145 -6.925 1.00 1.59 C ATOM 2065 CE1 PHE A 90 -2.383 -12.186 -8.843 1.00 1.92 C ATOM 2066 CE2 PHE A 90 -1.164 -14.039 -7.952 1.00 1.81 C ATOM 2067 CZ PHE A 90 -1.315 -13.057 -8.913 1.00 1.59 C ATOM 0 H PHE A 90 -6.123 -13.341 -4.250 1.00 0.69 H new ATOM 0 HA PHE A 90 -5.833 -13.522 -7.037 1.00 0.84 H new ATOM 0 HB2 PHE A 90 -4.340 -12.392 -5.318 1.00 0.96 H new ATOM 0 HB3 PHE A 90 -3.714 -13.979 -4.918 1.00 0.96 H new ATOM 0 HD1 PHE A 90 -4.132 -11.614 -7.766 1.00 1.75 H new ATOM 0 HD2 PHE A 90 -1.960 -14.913 -6.176 1.00 1.59 H new ATOM 0 HE1 PHE A 90 -2.503 -11.417 -9.592 1.00 1.92 H new ATOM 0 HE2 PHE A 90 -0.329 -14.722 -8.004 1.00 1.81 H new ATOM 0 HZ PHE A 90 -0.599 -12.972 -9.717 1.00 1.59 H new ATOM 2077 N GLU A 91 -5.313 -16.293 -5.349 1.00 1.36 N ATOM 2078 CA GLU A 91 -5.385 -17.735 -5.473 1.00 1.84 C ATOM 2079 C GLU A 91 -6.837 -18.124 -5.732 1.00 1.99 C ATOM 2080 O GLU A 91 -7.161 -18.751 -6.742 1.00 2.44 O ATOM 2081 CB GLU A 91 -4.873 -18.410 -4.197 1.00 2.02 C ATOM 2082 CG GLU A 91 -3.453 -18.014 -3.818 1.00 2.25 C ATOM 2083 CD GLU A 91 -2.427 -18.426 -4.855 1.00 2.76 C ATOM 2084 OE1 GLU A 91 -2.089 -19.624 -4.919 1.00 3.28 O ATOM 2085 OE2 GLU A 91 -1.938 -17.549 -5.596 1.00 3.15 O ATOM 0 H GLU A 91 -5.262 -15.954 -4.388 1.00 1.36 H new ATOM 0 HA GLU A 91 -4.757 -18.066 -6.301 1.00 1.84 H new ATOM 0 HB2 GLU A 91 -5.541 -18.161 -3.373 1.00 2.02 H new ATOM 0 HB3 GLU A 91 -4.916 -19.491 -4.327 1.00 2.02 H new ATOM 0 HG2 GLU A 91 -3.408 -16.934 -3.679 1.00 2.25 H new ATOM 0 HG3 GLU A 91 -3.198 -18.469 -2.861 1.00 2.25 H new ATOM 2092 N GLY A 92 -7.706 -17.729 -4.802 1.00 1.77 N ATOM 2093 CA GLY A 92 -9.144 -17.899 -4.959 1.00 2.10 C ATOM 2094 C GLY A 92 -9.622 -19.313 -4.693 1.00 2.32 C ATOM 2095 O GLY A 92 -10.731 -19.516 -4.195 1.00 2.82 O ATOM 0 H GLY A 92 -7.432 -17.285 -3.925 1.00 1.77 H new ATOM 0 HA2 GLY A 92 -9.658 -17.217 -4.281 1.00 2.10 H new ATOM 0 HA3 GLY A 92 -9.426 -17.614 -5.972 1.00 2.10 H new ATOM 2099 N PHE A 93 -8.787 -20.286 -5.020 1.00 2.16 N ATOM 2100 CA PHE A 93 -9.108 -21.679 -4.823 1.00 2.47 C ATOM 2101 C PHE A 93 -7.855 -22.537 -4.861 1.00 2.93 C ATOM 2102 O PHE A 93 -7.180 -22.630 -5.886 1.00 3.33 O ATOM 2103 CB PHE A 93 -10.138 -22.132 -5.864 1.00 2.75 C ATOM 2104 CG PHE A 93 -9.831 -21.732 -7.288 1.00 3.31 C ATOM 2105 CD1 PHE A 93 -10.251 -20.503 -7.779 1.00 3.92 C ATOM 2106 CD2 PHE A 93 -9.145 -22.583 -8.137 1.00 3.95 C ATOM 2107 CE1 PHE A 93 -9.991 -20.135 -9.084 1.00 4.93 C ATOM 2108 CE2 PHE A 93 -8.881 -22.217 -9.444 1.00 4.95 C ATOM 2109 CZ PHE A 93 -9.304 -20.993 -9.916 1.00 5.37 C ATOM 0 H PHE A 93 -7.867 -20.125 -5.430 1.00 2.16 H new ATOM 0 HA PHE A 93 -9.550 -21.803 -3.834 1.00 2.47 H new ATOM 0 HB2 PHE A 93 -10.223 -23.218 -5.819 1.00 2.75 H new ATOM 0 HB3 PHE A 93 -11.111 -21.724 -5.591 1.00 2.75 H new ATOM 0 HD1 PHE A 93 -10.788 -19.826 -7.131 1.00 3.92 H new ATOM 0 HD2 PHE A 93 -8.812 -23.544 -7.774 1.00 3.95 H new ATOM 0 HE1 PHE A 93 -10.325 -19.176 -9.452 1.00 4.93 H new ATOM 0 HE2 PHE A 93 -8.343 -22.890 -10.095 1.00 4.95 H new ATOM 0 HZ PHE A 93 -9.097 -20.706 -10.937 1.00 5.37 H new ATOM 2119 N PRO A 94 -7.512 -23.145 -3.715 1.00 3.52 N ATOM 2120 CA PRO A 94 -6.353 -24.026 -3.600 1.00 4.40 C ATOM 2121 C PRO A 94 -6.555 -25.319 -4.377 1.00 4.49 C ATOM 2122 O PRO A 94 -7.167 -26.267 -3.877 1.00 4.82 O ATOM 2123 CB PRO A 94 -6.236 -24.306 -2.094 1.00 5.24 C ATOM 2124 CG PRO A 94 -7.145 -23.324 -1.433 1.00 4.98 C ATOM 2125 CD PRO A 94 -8.219 -23.014 -2.436 1.00 3.95 C ATOM 0 HA PRO A 94 -5.453 -23.572 -4.014 1.00 4.40 H new ATOM 0 HB2 PRO A 94 -6.529 -25.330 -1.861 1.00 5.24 H new ATOM 0 HB3 PRO A 94 -5.209 -24.183 -1.751 1.00 5.24 H new ATOM 0 HG2 PRO A 94 -7.572 -23.740 -0.520 1.00 4.98 H new ATOM 0 HG3 PRO A 94 -6.604 -22.421 -1.149 1.00 4.98 H new ATOM 0 HD2 PRO A 94 -9.055 -23.709 -2.362 1.00 3.95 H new ATOM 0 HD3 PRO A 94 -8.625 -22.012 -2.298 1.00 3.95 H new ATOM 2133 N ASP A 95 -6.089 -25.309 -5.619 1.00 4.54 N ATOM 2134 CA ASP A 95 -6.137 -26.476 -6.503 1.00 4.97 C ATOM 2135 C ASP A 95 -7.572 -26.801 -6.906 1.00 4.96 C ATOM 2136 O ASP A 95 -8.297 -27.486 -6.181 1.00 5.41 O ATOM 2137 CB ASP A 95 -5.485 -27.698 -5.847 1.00 5.81 C ATOM 2138 CG ASP A 95 -5.359 -28.866 -6.803 1.00 6.62 C ATOM 2139 OD1 ASP A 95 -4.345 -28.931 -7.529 1.00 7.10 O ATOM 2140 OD2 ASP A 95 -6.257 -29.731 -6.826 1.00 7.06 O ATOM 0 H ASP A 95 -5.663 -24.487 -6.048 1.00 4.54 H new ATOM 0 HA ASP A 95 -5.572 -26.226 -7.401 1.00 4.97 H new ATOM 0 HB2 ASP A 95 -4.496 -27.425 -5.478 1.00 5.81 H new ATOM 0 HB3 ASP A 95 -6.075 -28.001 -4.982 1.00 5.81 H new ATOM 2145 N LYS A 96 -7.976 -26.278 -8.055 1.00 4.87 N ATOM 2146 CA LYS A 96 -9.311 -26.506 -8.591 1.00 5.33 C ATOM 2147 C LYS A 96 -9.389 -25.921 -9.999 1.00 5.99 C ATOM 2148 O LYS A 96 -8.522 -25.138 -10.390 1.00 6.19 O ATOM 2149 CB LYS A 96 -10.361 -25.849 -7.682 1.00 5.44 C ATOM 2150 CG LYS A 96 -11.800 -26.193 -8.035 1.00 6.10 C ATOM 2151 CD LYS A 96 -12.782 -25.529 -7.086 1.00 6.48 C ATOM 2152 CE LYS A 96 -12.777 -24.018 -7.240 1.00 7.03 C ATOM 2153 NZ LYS A 96 -13.582 -23.354 -6.184 1.00 7.33 N ATOM 0 H LYS A 96 -7.389 -25.685 -8.641 1.00 4.87 H new ATOM 0 HA LYS A 96 -9.512 -27.576 -8.632 1.00 5.33 H new ATOM 0 HB2 LYS A 96 -10.171 -26.149 -6.652 1.00 5.44 H new ATOM 0 HB3 LYS A 96 -10.237 -24.767 -7.727 1.00 5.44 H new ATOM 0 HG2 LYS A 96 -12.010 -25.877 -9.057 1.00 6.10 H new ATOM 0 HG3 LYS A 96 -11.935 -27.274 -8.002 1.00 6.10 H new ATOM 0 HD2 LYS A 96 -13.785 -25.911 -7.275 1.00 6.48 H new ATOM 0 HD3 LYS A 96 -12.529 -25.791 -6.059 1.00 6.48 H new ATOM 0 HE2 LYS A 96 -11.751 -23.652 -7.199 1.00 7.03 H new ATOM 0 HE3 LYS A 96 -13.172 -23.751 -8.220 1.00 7.03 H new ATOM 0 HZ1 LYS A 96 -13.554 -22.324 -6.323 1.00 7.33 H new ATOM 0 HZ2 LYS A 96 -14.567 -23.684 -6.239 1.00 7.33 H new ATOM 0 HZ3 LYS A 96 -13.190 -23.588 -5.250 1.00 7.33 H new ATOM 2167 N GLN A 97 -10.396 -26.310 -10.766 1.00 6.62 N ATOM 2168 CA GLN A 97 -10.603 -25.722 -12.079 1.00 7.47 C ATOM 2169 C GLN A 97 -11.410 -24.432 -11.934 1.00 8.21 C ATOM 2170 O GLN A 97 -12.278 -24.333 -11.065 1.00 8.51 O ATOM 2171 CB GLN A 97 -11.301 -26.714 -13.018 1.00 8.07 C ATOM 2172 CG GLN A 97 -12.723 -27.071 -12.617 1.00 8.68 C ATOM 2173 CD GLN A 97 -13.286 -28.222 -13.431 1.00 9.30 C ATOM 2174 OE1 GLN A 97 -12.556 -29.124 -13.841 1.00 9.68 O ATOM 2175 NE2 GLN A 97 -14.577 -28.182 -13.696 1.00 9.64 N ATOM 0 H GLN A 97 -11.076 -27.024 -10.505 1.00 6.62 H new ATOM 0 HA GLN A 97 -9.636 -25.484 -12.523 1.00 7.47 H new ATOM 0 HB2 GLN A 97 -11.316 -26.294 -14.024 1.00 8.07 H new ATOM 0 HB3 GLN A 97 -10.710 -27.629 -13.064 1.00 8.07 H new ATOM 0 HG2 GLN A 97 -12.743 -27.334 -11.559 1.00 8.68 H new ATOM 0 HG3 GLN A 97 -13.362 -26.197 -12.740 1.00 8.68 H new ATOM 0 HE21 GLN A 97 -15.148 -27.417 -13.337 1.00 9.64 H new ATOM 0 HE22 GLN A 97 -15.005 -28.916 -14.260 1.00 9.64 H new ATOM 2184 N PRO A 98 -11.129 -23.421 -12.773 1.00 8.78 N ATOM 2185 CA PRO A 98 -11.753 -22.090 -12.675 1.00 9.71 C ATOM 2186 C PRO A 98 -13.222 -22.067 -13.103 1.00 10.51 C ATOM 2187 O PRO A 98 -13.769 -21.009 -13.404 1.00 10.91 O ATOM 2188 CB PRO A 98 -10.913 -21.221 -13.628 1.00 10.26 C ATOM 2189 CG PRO A 98 -9.721 -22.048 -13.986 1.00 9.76 C ATOM 2190 CD PRO A 98 -10.162 -23.477 -13.877 1.00 8.82 C ATOM 0 HA PRO A 98 -11.763 -21.743 -11.642 1.00 9.71 H new ATOM 0 HB2 PRO A 98 -11.483 -20.951 -14.517 1.00 10.26 H new ATOM 0 HB3 PRO A 98 -10.613 -20.290 -13.147 1.00 10.26 H new ATOM 0 HG2 PRO A 98 -9.378 -21.821 -14.995 1.00 9.76 H new ATOM 0 HG3 PRO A 98 -8.888 -21.844 -13.313 1.00 9.76 H new ATOM 0 HD2 PRO A 98 -10.619 -23.834 -14.800 1.00 8.82 H new ATOM 0 HD3 PRO A 98 -9.329 -24.144 -13.655 1.00 8.82 H new ATOM 2198 N ARG A 99 -13.854 -23.233 -13.121 1.00 10.91 N ATOM 2199 CA ARG A 99 -15.262 -23.349 -13.475 1.00 11.80 C ATOM 2200 C ARG A 99 -15.824 -24.669 -12.956 1.00 12.49 C ATOM 2201 O ARG A 99 -15.656 -25.717 -13.573 1.00 13.03 O ATOM 2202 CB ARG A 99 -15.457 -23.232 -14.994 1.00 12.07 C ATOM 2203 CG ARG A 99 -14.553 -24.143 -15.811 1.00 12.32 C ATOM 2204 CD ARG A 99 -14.752 -23.940 -17.303 1.00 12.98 C ATOM 2205 NE ARG A 99 -16.111 -24.262 -17.730 1.00 13.45 N ATOM 2206 CZ ARG A 99 -16.422 -24.744 -18.932 1.00 14.07 C ATOM 2207 NH1 ARG A 99 -15.468 -24.974 -19.827 1.00 14.29 N ATOM 2208 NH2 ARG A 99 -17.690 -24.989 -19.235 1.00 14.62 N ATOM 0 H ARG A 99 -13.408 -24.121 -12.892 1.00 10.91 H new ATOM 0 HA ARG A 99 -15.807 -22.529 -13.006 1.00 11.80 H new ATOM 0 HB2 ARG A 99 -16.496 -23.459 -15.234 1.00 12.07 H new ATOM 0 HB3 ARG A 99 -15.279 -22.199 -15.293 1.00 12.07 H new ATOM 0 HG2 ARG A 99 -13.512 -23.949 -15.553 1.00 12.32 H new ATOM 0 HG3 ARG A 99 -14.757 -25.183 -15.555 1.00 12.32 H new ATOM 0 HD2 ARG A 99 -14.529 -22.904 -17.559 1.00 12.98 H new ATOM 0 HD3 ARG A 99 -14.044 -24.563 -17.850 1.00 12.98 H new ATOM 0 HE ARG A 99 -16.870 -24.108 -17.066 1.00 13.45 H new ATOM 0 HH11 ARG A 99 -14.494 -24.781 -19.595 1.00 14.29 H new ATOM 0 HH12 ARG A 99 -15.710 -25.343 -20.747 1.00 14.29 H new ATOM 0 HH21 ARG A 99 -18.422 -24.808 -18.549 1.00 14.62 H new ATOM 0 HH22 ARG A 99 -17.933 -25.358 -20.154 1.00 14.62 H new ATOM 2222 N LYS A 100 -16.469 -24.618 -11.803 1.00 12.64 N ATOM 2223 CA LYS A 100 -16.975 -25.823 -11.170 1.00 13.44 C ATOM 2224 C LYS A 100 -18.252 -25.542 -10.391 1.00 14.06 C ATOM 2225 O LYS A 100 -18.402 -24.481 -9.781 1.00 14.46 O ATOM 2226 CB LYS A 100 -15.920 -26.407 -10.224 1.00 13.66 C ATOM 2227 CG LYS A 100 -16.420 -27.604 -9.434 1.00 13.92 C ATOM 2228 CD LYS A 100 -15.436 -28.030 -8.362 1.00 14.26 C ATOM 2229 CE LYS A 100 -16.039 -29.094 -7.462 1.00 15.02 C ATOM 2230 NZ LYS A 100 -17.234 -28.592 -6.728 1.00 15.75 N ATOM 0 H LYS A 100 -16.654 -23.757 -11.288 1.00 12.64 H new ATOM 0 HA LYS A 100 -17.200 -26.542 -11.957 1.00 13.44 H new ATOM 0 HB2 LYS A 100 -15.046 -26.702 -10.804 1.00 13.66 H new ATOM 0 HB3 LYS A 100 -15.595 -25.632 -9.530 1.00 13.66 H new ATOM 0 HG2 LYS A 100 -17.376 -27.359 -8.971 1.00 13.92 H new ATOM 0 HG3 LYS A 100 -16.599 -28.437 -10.113 1.00 13.92 H new ATOM 0 HD2 LYS A 100 -14.529 -28.414 -8.828 1.00 14.26 H new ATOM 0 HD3 LYS A 100 -15.146 -27.165 -7.765 1.00 14.26 H new ATOM 0 HE2 LYS A 100 -16.319 -29.960 -8.062 1.00 15.02 H new ATOM 0 HE3 LYS A 100 -15.289 -29.431 -6.746 1.00 15.02 H new ATOM 0 HZ1 LYS A 100 -17.523 -29.292 -6.016 1.00 15.75 H new ATOM 0 HZ2 LYS A 100 -17.000 -27.695 -6.257 1.00 15.75 H new ATOM 0 HZ3 LYS A 100 -18.014 -28.438 -7.399 1.00 15.75 H new ATOM 2244 N LYS A 101 -19.173 -26.494 -10.422 1.00 14.28 N ATOM 2245 CA LYS A 101 -20.366 -26.426 -9.599 1.00 15.00 C ATOM 2246 C LYS A 101 -20.249 -27.434 -8.463 1.00 15.28 C ATOM 2247 O LYS A 101 -20.752 -28.566 -8.614 1.00 15.57 O ATOM 2248 CB LYS A 101 -21.621 -26.709 -10.433 1.00 15.30 C ATOM 2249 CG LYS A 101 -21.732 -25.863 -11.695 1.00 15.68 C ATOM 2250 CD LYS A 101 -21.634 -24.374 -11.395 1.00 15.85 C ATOM 2251 CE LYS A 101 -22.766 -23.892 -10.504 1.00 16.60 C ATOM 2252 NZ LYS A 101 -22.633 -22.446 -10.180 1.00 17.06 N ATOM 2253 OXT LYS A 101 -19.612 -27.109 -7.441 1.00 15.35 O ATOM 0 H LYS A 101 -19.114 -27.324 -11.011 1.00 14.28 H new ATOM 0 HA LYS A 101 -20.457 -25.421 -9.188 1.00 15.00 H new ATOM 0 HB2 LYS A 101 -21.629 -27.762 -10.713 1.00 15.30 H new ATOM 0 HB3 LYS A 101 -22.502 -26.537 -9.814 1.00 15.30 H new ATOM 0 HG2 LYS A 101 -20.942 -26.145 -12.391 1.00 15.68 H new ATOM 0 HG3 LYS A 101 -22.681 -26.071 -12.189 1.00 15.68 H new ATOM 0 HD2 LYS A 101 -20.680 -24.165 -10.912 1.00 15.85 H new ATOM 0 HD3 LYS A 101 -21.647 -23.815 -12.331 1.00 15.85 H new ATOM 0 HE2 LYS A 101 -23.720 -24.067 -11.001 1.00 16.60 H new ATOM 0 HE3 LYS A 101 -22.775 -24.472 -9.581 1.00 16.60 H new ATOM 0 HZ1 LYS A 101 -23.423 -22.153 -9.570 1.00 17.06 H new ATOM 0 HZ2 LYS A 101 -21.734 -22.283 -9.684 1.00 17.06 H new ATOM 0 HZ3 LYS A 101 -22.649 -21.890 -11.059 1.00 17.06 H new TER 2267 LYS A 101 ATOM 2268 N MET B 1 -3.204 3.018 -18.507 1.00 1.49 N ATOM 2269 CA MET B 1 -3.195 1.905 -19.484 1.00 0.60 C ATOM 2270 C MET B 1 -3.897 0.680 -18.903 1.00 0.49 C ATOM 2271 O MET B 1 -4.822 0.142 -19.512 1.00 0.58 O ATOM 2272 CB MET B 1 -1.758 1.552 -19.873 1.00 1.30 C ATOM 2273 CG MET B 1 -1.660 0.429 -20.889 1.00 1.88 C ATOM 2274 SD MET B 1 -2.526 0.811 -22.422 1.00 2.89 S ATOM 2275 CE MET B 1 -2.178 -0.661 -23.376 1.00 3.54 C ATOM 0 H1 MET B 1 -2.723 3.844 -18.917 1.00 1.49 H new ATOM 0 H2 MET B 1 -4.186 3.269 -18.276 1.00 1.49 H new ATOM 0 H3 MET B 1 -2.709 2.724 -17.641 1.00 1.49 H new ATOM 0 HA MET B 1 -3.733 2.225 -20.377 1.00 0.60 H new ATOM 0 HB2 MET B 1 -1.272 2.440 -20.278 1.00 1.30 H new ATOM 0 HB3 MET B 1 -1.207 1.268 -18.976 1.00 1.30 H new ATOM 0 HG2 MET B 1 -0.611 0.231 -21.107 1.00 1.88 H new ATOM 0 HG3 MET B 1 -2.074 -0.483 -20.459 1.00 1.88 H new ATOM 0 HE1 MET B 1 -2.648 -0.579 -24.356 1.00 3.54 H new ATOM 0 HE2 MET B 1 -1.100 -0.769 -23.498 1.00 3.54 H new ATOM 0 HE3 MET B 1 -2.574 -1.533 -22.856 1.00 3.54 H new ATOM 2285 N ALA B 2 -3.449 0.234 -17.734 1.00 0.34 N ATOM 2286 CA ALA B 2 -4.094 -0.871 -17.046 1.00 0.30 C ATOM 2287 C ALA B 2 -5.028 -0.333 -15.974 1.00 0.27 C ATOM 2288 O ALA B 2 -5.035 0.870 -15.723 1.00 0.36 O ATOM 2289 CB ALA B 2 -3.047 -1.780 -16.429 1.00 0.30 C ATOM 0 H ALA B 2 -2.642 0.623 -17.246 1.00 0.34 H new ATOM 0 HA ALA B 2 -4.677 -1.450 -17.762 1.00 0.30 H new ATOM 0 HB1 ALA B 2 -3.539 -2.606 -15.915 1.00 0.30 H new ATOM 0 HB2 ALA B 2 -2.400 -2.174 -17.213 1.00 0.30 H new ATOM 0 HB3 ALA B 2 -2.449 -1.214 -15.715 1.00 0.30 H new ATOM 2295 N CYS B 3 -5.820 -1.207 -15.365 1.00 0.25 N ATOM 2296 CA CYS B 3 -6.674 -0.815 -14.255 1.00 0.23 C ATOM 2297 C CYS B 3 -5.795 -0.441 -13.070 1.00 0.17 C ATOM 2298 O CYS B 3 -5.236 -1.311 -12.399 1.00 0.17 O ATOM 2299 CB CYS B 3 -7.630 -1.950 -13.884 1.00 0.28 C ATOM 2300 SG CYS B 3 -8.670 -2.512 -15.254 1.00 0.39 S ATOM 0 H CYS B 3 -5.887 -2.192 -15.622 1.00 0.25 H new ATOM 0 HA CYS B 3 -7.279 0.044 -14.544 1.00 0.23 H new ATOM 0 HB2 CYS B 3 -7.049 -2.794 -13.512 1.00 0.28 H new ATOM 0 HB3 CYS B 3 -8.271 -1.619 -13.067 1.00 0.28 H new ATOM 0 HG CYS B 3 -9.443 -3.474 -14.846 1.00 0.39 H new ATOM 2306 N PRO B 4 -5.657 0.864 -12.818 1.00 0.16 N ATOM 2307 CA PRO B 4 -4.640 1.399 -11.908 1.00 0.13 C ATOM 2308 C PRO B 4 -4.743 0.860 -10.486 1.00 0.12 C ATOM 2309 O PRO B 4 -3.837 0.172 -10.009 1.00 0.12 O ATOM 2310 CB PRO B 4 -4.931 2.900 -11.918 1.00 0.17 C ATOM 2311 CG PRO B 4 -5.638 3.142 -13.199 1.00 0.20 C ATOM 2312 CD PRO B 4 -6.487 1.930 -13.399 1.00 0.20 C ATOM 0 HA PRO B 4 -3.636 1.122 -12.230 1.00 0.13 H new ATOM 0 HB2 PRO B 4 -5.547 3.189 -11.066 1.00 0.17 H new ATOM 0 HB3 PRO B 4 -4.011 3.481 -11.858 1.00 0.17 H new ATOM 0 HG2 PRO B 4 -6.244 4.047 -13.152 1.00 0.20 H new ATOM 0 HG3 PRO B 4 -4.934 3.272 -14.021 1.00 0.20 H new ATOM 0 HD2 PRO B 4 -7.448 2.019 -12.892 1.00 0.20 H new ATOM 0 HD3 PRO B 4 -6.698 1.751 -14.453 1.00 0.20 H new ATOM 2320 N LEU B 5 -5.856 1.148 -9.825 1.00 0.13 N ATOM 2321 CA LEU B 5 -6.036 0.751 -8.438 1.00 0.14 C ATOM 2322 C LEU B 5 -6.169 -0.764 -8.334 1.00 0.16 C ATOM 2323 O LEU B 5 -5.832 -1.355 -7.312 1.00 0.22 O ATOM 2324 CB LEU B 5 -7.268 1.447 -7.850 1.00 0.15 C ATOM 2325 CG LEU B 5 -7.084 2.091 -6.472 1.00 0.16 C ATOM 2326 CD1 LEU B 5 -6.874 1.036 -5.416 1.00 0.18 C ATOM 2327 CD2 LEU B 5 -5.919 3.064 -6.470 1.00 0.17 C ATOM 0 H LEU B 5 -6.645 1.654 -10.227 1.00 0.13 H new ATOM 0 HA LEU B 5 -5.160 1.055 -7.865 1.00 0.14 H new ATOM 0 HB2 LEU B 5 -7.593 2.218 -8.549 1.00 0.15 H new ATOM 0 HB3 LEU B 5 -8.075 0.717 -7.783 1.00 0.15 H new ATOM 0 HG LEU B 5 -7.994 2.645 -6.243 1.00 0.16 H new ATOM 0 HD11 LEU B 5 -6.745 1.514 -4.445 1.00 0.18 H new ATOM 0 HD12 LEU B 5 -7.741 0.376 -5.384 1.00 0.18 H new ATOM 0 HD13 LEU B 5 -5.984 0.454 -5.655 1.00 0.18 H new ATOM 0 HD21 LEU B 5 -5.814 3.504 -5.478 1.00 0.17 H new ATOM 0 HD22 LEU B 5 -5.002 2.535 -6.731 1.00 0.17 H new ATOM 0 HD23 LEU B 5 -6.102 3.853 -7.200 1.00 0.17 H new ATOM 2339 N GLU B 6 -6.637 -1.391 -9.408 1.00 0.16 N ATOM 2340 CA GLU B 6 -6.771 -2.840 -9.444 1.00 0.20 C ATOM 2341 C GLU B 6 -5.400 -3.494 -9.376 1.00 0.18 C ATOM 2342 O GLU B 6 -5.159 -4.385 -8.556 1.00 0.23 O ATOM 2343 CB GLU B 6 -7.490 -3.294 -10.716 1.00 0.29 C ATOM 2344 CG GLU B 6 -7.710 -4.796 -10.780 1.00 0.43 C ATOM 2345 CD GLU B 6 -8.316 -5.248 -12.092 1.00 0.90 C ATOM 2346 OE1 GLU B 6 -9.539 -5.083 -12.276 1.00 1.79 O ATOM 2347 OE2 GLU B 6 -7.572 -5.787 -12.940 1.00 1.39 O ATOM 0 H GLU B 6 -6.929 -0.918 -10.263 1.00 0.16 H new ATOM 0 HA GLU B 6 -7.364 -3.144 -8.581 1.00 0.20 H new ATOM 0 HB2 GLU B 6 -8.454 -2.790 -10.779 1.00 0.29 H new ATOM 0 HB3 GLU B 6 -6.909 -2.982 -11.584 1.00 0.29 H new ATOM 0 HG2 GLU B 6 -6.757 -5.304 -10.632 1.00 0.43 H new ATOM 0 HG3 GLU B 6 -8.363 -5.098 -9.961 1.00 0.43 H new ATOM 2354 N LYS B 7 -4.495 -3.033 -10.234 1.00 0.16 N ATOM 2355 CA LYS B 7 -3.162 -3.593 -10.298 1.00 0.18 C ATOM 2356 C LYS B 7 -2.399 -3.328 -9.008 1.00 0.17 C ATOM 2357 O LYS B 7 -1.573 -4.130 -8.616 1.00 0.19 O ATOM 2358 CB LYS B 7 -2.394 -3.050 -11.513 1.00 0.25 C ATOM 2359 CG LYS B 7 -2.925 -3.571 -12.842 1.00 0.41 C ATOM 2360 CD LYS B 7 -1.836 -4.252 -13.664 1.00 0.90 C ATOM 2361 CE LYS B 7 -1.345 -5.537 -13.008 1.00 0.84 C ATOM 2362 NZ LYS B 7 -2.395 -6.592 -12.968 1.00 1.18 N ATOM 0 H LYS B 7 -4.667 -2.273 -10.892 1.00 0.16 H new ATOM 0 HA LYS B 7 -3.257 -4.672 -10.417 1.00 0.18 H new ATOM 0 HB2 LYS B 7 -2.446 -1.961 -11.510 1.00 0.25 H new ATOM 0 HB3 LYS B 7 -1.342 -3.319 -11.419 1.00 0.25 H new ATOM 0 HG2 LYS B 7 -3.735 -4.277 -12.657 1.00 0.41 H new ATOM 0 HG3 LYS B 7 -3.347 -2.744 -13.413 1.00 0.41 H new ATOM 0 HD2 LYS B 7 -2.220 -4.477 -14.659 1.00 0.90 H new ATOM 0 HD3 LYS B 7 -0.998 -3.567 -13.793 1.00 0.90 H new ATOM 0 HE2 LYS B 7 -0.478 -5.911 -13.553 1.00 0.84 H new ATOM 0 HE3 LYS B 7 -1.014 -5.320 -11.993 1.00 0.84 H new ATOM 0 HZ1 LYS B 7 -2.054 -7.400 -12.410 1.00 1.18 H new ATOM 0 HZ2 LYS B 7 -3.257 -6.208 -12.530 1.00 1.18 H new ATOM 0 HZ3 LYS B 7 -2.609 -6.906 -13.936 1.00 1.18 H new ATOM 2376 N ALA B 8 -2.707 -2.226 -8.339 1.00 0.17 N ATOM 2377 CA ALA B 8 -2.045 -1.872 -7.080 1.00 0.17 C ATOM 2378 C ALA B 8 -1.999 -3.046 -6.098 1.00 0.17 C ATOM 2379 O ALA B 8 -0.933 -3.387 -5.590 1.00 0.22 O ATOM 2380 CB ALA B 8 -2.732 -0.683 -6.432 1.00 0.18 C ATOM 0 H ALA B 8 -3.413 -1.556 -8.644 1.00 0.17 H new ATOM 0 HA ALA B 8 -1.017 -1.607 -7.326 1.00 0.17 H new ATOM 0 HB1 ALA B 8 -2.227 -0.435 -5.499 1.00 0.18 H new ATOM 0 HB2 ALA B 8 -2.690 0.173 -7.106 1.00 0.18 H new ATOM 0 HB3 ALA B 8 -3.773 -0.932 -6.226 1.00 0.18 H new ATOM 2386 N LEU B 9 -3.145 -3.670 -5.840 1.00 0.13 N ATOM 2387 CA LEU B 9 -3.191 -4.801 -4.911 1.00 0.12 C ATOM 2388 C LEU B 9 -2.706 -6.062 -5.601 1.00 0.14 C ATOM 2389 O LEU B 9 -2.001 -6.883 -5.009 1.00 0.18 O ATOM 2390 CB LEU B 9 -4.607 -5.036 -4.351 1.00 0.13 C ATOM 2391 CG LEU B 9 -5.274 -3.826 -3.695 1.00 0.13 C ATOM 2392 CD1 LEU B 9 -4.267 -3.051 -2.884 1.00 0.15 C ATOM 2393 CD2 LEU B 9 -5.938 -2.922 -4.718 1.00 0.13 C ATOM 0 H LEU B 9 -4.043 -3.419 -6.253 1.00 0.13 H new ATOM 0 HA LEU B 9 -2.536 -4.557 -4.074 1.00 0.12 H new ATOM 0 HB2 LEU B 9 -5.245 -5.383 -5.164 1.00 0.13 H new ATOM 0 HB3 LEU B 9 -4.558 -5.842 -3.618 1.00 0.13 H new ATOM 0 HG LEU B 9 -6.055 -4.199 -3.033 1.00 0.13 H new ATOM 0 HD11 LEU B 9 -4.755 -2.192 -2.423 1.00 0.15 H new ATOM 0 HD12 LEU B 9 -3.853 -3.694 -2.107 1.00 0.15 H new ATOM 0 HD13 LEU B 9 -3.464 -2.705 -3.535 1.00 0.15 H new ATOM 0 HD21 LEU B 9 -6.399 -2.075 -4.210 1.00 0.13 H new ATOM 0 HD22 LEU B 9 -5.190 -2.559 -5.423 1.00 0.13 H new ATOM 0 HD23 LEU B 9 -6.702 -3.482 -5.257 1.00 0.13 H new ATOM 2405 N ASP B 10 -3.084 -6.191 -6.865 1.00 0.14 N ATOM 2406 CA ASP B 10 -2.717 -7.341 -7.682 1.00 0.16 C ATOM 2407 C ASP B 10 -1.204 -7.531 -7.723 1.00 0.15 C ATOM 2408 O ASP B 10 -0.698 -8.620 -7.464 1.00 0.19 O ATOM 2409 CB ASP B 10 -3.262 -7.144 -9.102 1.00 0.20 C ATOM 2410 CG ASP B 10 -2.820 -8.218 -10.074 1.00 0.51 C ATOM 2411 OD1 ASP B 10 -3.496 -9.260 -10.160 1.00 1.22 O ATOM 2412 OD2 ASP B 10 -1.820 -8.000 -10.790 1.00 1.19 O ATOM 0 H ASP B 10 -3.654 -5.501 -7.354 1.00 0.14 H new ATOM 0 HA ASP B 10 -3.152 -8.237 -7.239 1.00 0.16 H new ATOM 0 HB2 ASP B 10 -4.351 -7.125 -9.065 1.00 0.20 H new ATOM 0 HB3 ASP B 10 -2.939 -6.172 -9.475 1.00 0.20 H new ATOM 2417 N VAL B 11 -0.490 -6.455 -8.005 1.00 0.15 N ATOM 2418 CA VAL B 11 0.948 -6.521 -8.209 1.00 0.16 C ATOM 2419 C VAL B 11 1.706 -6.725 -6.905 1.00 0.16 C ATOM 2420 O VAL B 11 2.808 -7.263 -6.917 1.00 0.20 O ATOM 2421 CB VAL B 11 1.478 -5.262 -8.911 1.00 0.18 C ATOM 2422 CG1 VAL B 11 0.711 -5.023 -10.198 1.00 0.21 C ATOM 2423 CG2 VAL B 11 1.403 -4.050 -7.994 1.00 0.17 C ATOM 0 H VAL B 11 -0.885 -5.519 -8.098 1.00 0.15 H new ATOM 0 HA VAL B 11 1.121 -7.387 -8.848 1.00 0.16 H new ATOM 0 HB VAL B 11 2.528 -5.419 -9.158 1.00 0.18 H new ATOM 0 HG11 VAL B 11 1.094 -4.128 -10.689 1.00 0.21 H new ATOM 0 HG12 VAL B 11 0.834 -5.881 -10.860 1.00 0.21 H new ATOM 0 HG13 VAL B 11 -0.347 -4.888 -9.972 1.00 0.21 H new ATOM 0 HG21 VAL B 11 1.785 -3.173 -8.518 1.00 0.17 H new ATOM 0 HG22 VAL B 11 0.367 -3.877 -7.704 1.00 0.17 H new ATOM 0 HG23 VAL B 11 2.004 -4.230 -7.103 1.00 0.17 H new ATOM 2433 N MET B 12 1.121 -6.304 -5.782 1.00 0.16 N ATOM 2434 CA MET B 12 1.762 -6.513 -4.488 1.00 0.20 C ATOM 2435 C MET B 12 2.044 -7.992 -4.281 1.00 0.23 C ATOM 2436 O MET B 12 3.136 -8.371 -3.873 1.00 0.39 O ATOM 2437 CB MET B 12 0.901 -6.006 -3.337 1.00 0.27 C ATOM 2438 CG MET B 12 0.741 -4.496 -3.279 1.00 0.16 C ATOM 2439 SD MET B 12 0.231 -3.945 -1.645 1.00 0.78 S ATOM 2440 CE MET B 12 0.025 -2.206 -1.909 1.00 0.19 C ATOM 0 H MET B 12 0.221 -5.825 -5.744 1.00 0.16 H new ATOM 0 HA MET B 12 2.694 -5.947 -4.493 1.00 0.20 H new ATOM 0 HB2 MET B 12 -0.087 -6.459 -3.414 1.00 0.27 H new ATOM 0 HB3 MET B 12 1.336 -6.348 -2.398 1.00 0.27 H new ATOM 0 HG2 MET B 12 1.684 -4.019 -3.546 1.00 0.16 H new ATOM 0 HG3 MET B 12 0.004 -4.179 -4.017 1.00 0.16 H new ATOM 0 HE1 MET B 12 0.735 -1.657 -1.290 1.00 0.19 H new ATOM 0 HE2 MET B 12 0.204 -1.974 -2.959 1.00 0.19 H new ATOM 0 HE3 MET B 12 -0.991 -1.915 -1.641 1.00 0.19 H new ATOM 2450 N VAL B 13 1.052 -8.825 -4.583 1.00 0.18 N ATOM 2451 CA VAL B 13 1.196 -10.267 -4.432 1.00 0.19 C ATOM 2452 C VAL B 13 1.700 -10.924 -5.727 1.00 0.19 C ATOM 2453 O VAL B 13 2.214 -12.043 -5.704 1.00 0.25 O ATOM 2454 CB VAL B 13 -0.128 -10.925 -3.986 1.00 0.20 C ATOM 2455 CG1 VAL B 13 -0.604 -10.318 -2.679 1.00 0.21 C ATOM 2456 CG2 VAL B 13 -1.200 -10.797 -5.055 1.00 0.22 C ATOM 0 H VAL B 13 0.142 -8.526 -4.933 1.00 0.18 H new ATOM 0 HA VAL B 13 1.941 -10.428 -3.653 1.00 0.19 H new ATOM 0 HB VAL B 13 0.061 -11.988 -3.833 1.00 0.20 H new ATOM 0 HG11 VAL B 13 -1.538 -10.791 -2.377 1.00 0.21 H new ATOM 0 HG12 VAL B 13 0.150 -10.478 -1.908 1.00 0.21 H new ATOM 0 HG13 VAL B 13 -0.766 -9.248 -2.812 1.00 0.21 H new ATOM 0 HG21 VAL B 13 -2.118 -11.271 -4.708 1.00 0.22 H new ATOM 0 HG22 VAL B 13 -1.389 -9.743 -5.256 1.00 0.22 H new ATOM 0 HG23 VAL B 13 -0.863 -11.286 -5.969 1.00 0.22 H new ATOM 2466 N SER B 14 1.551 -10.229 -6.852 1.00 0.18 N ATOM 2467 CA SER B 14 1.994 -10.746 -8.147 1.00 0.21 C ATOM 2468 C SER B 14 3.507 -10.591 -8.305 1.00 0.23 C ATOM 2469 O SER B 14 4.232 -11.581 -8.461 1.00 0.26 O ATOM 2470 CB SER B 14 1.261 -10.021 -9.281 1.00 0.23 C ATOM 2471 OG SER B 14 1.654 -10.500 -10.557 1.00 1.12 O ATOM 0 H SER B 14 1.125 -9.303 -6.894 1.00 0.18 H new ATOM 0 HA SER B 14 1.755 -11.808 -8.195 1.00 0.21 H new ATOM 0 HB2 SER B 14 0.186 -10.152 -9.160 1.00 0.23 H new ATOM 0 HB3 SER B 14 1.461 -8.951 -9.217 1.00 0.23 H new ATOM 0 HG SER B 14 1.164 -10.015 -11.254 1.00 1.12 H new ATOM 2477 N THR B 15 3.979 -9.348 -8.247 1.00 0.24 N ATOM 2478 CA THR B 15 5.403 -9.047 -8.320 1.00 0.26 C ATOM 2479 C THR B 15 6.137 -9.700 -7.151 1.00 0.28 C ATOM 2480 O THR B 15 7.322 -10.032 -7.237 1.00 0.31 O ATOM 2481 CB THR B 15 5.627 -7.519 -8.311 1.00 0.27 C ATOM 2482 OG1 THR B 15 4.983 -6.933 -9.451 1.00 0.33 O ATOM 2483 CG2 THR B 15 7.106 -7.169 -8.326 1.00 0.25 C ATOM 0 H THR B 15 3.385 -8.524 -8.148 1.00 0.24 H new ATOM 0 HA THR B 15 5.801 -9.450 -9.251 1.00 0.26 H new ATOM 0 HB THR B 15 5.197 -7.121 -7.392 1.00 0.27 H new ATOM 0 HG1 THR B 15 5.605 -6.324 -9.901 1.00 0.33 H new ATOM 0 HG21 THR B 15 7.224 -6.085 -8.319 1.00 0.25 H new ATOM 0 HG22 THR B 15 7.589 -7.592 -7.445 1.00 0.25 H new ATOM 0 HG23 THR B 15 7.568 -7.578 -9.225 1.00 0.25 H new ATOM 2491 N PHE B 16 5.391 -9.898 -6.073 1.00 0.30 N ATOM 2492 CA PHE B 16 5.854 -10.596 -4.885 1.00 0.36 C ATOM 2493 C PHE B 16 6.597 -11.880 -5.263 1.00 0.40 C ATOM 2494 O PHE B 16 7.787 -12.024 -4.977 1.00 0.51 O ATOM 2495 CB PHE B 16 4.627 -10.944 -4.043 1.00 0.44 C ATOM 2496 CG PHE B 16 4.804 -10.890 -2.557 1.00 0.34 C ATOM 2497 CD1 PHE B 16 5.694 -10.013 -1.966 1.00 1.21 C ATOM 2498 CD2 PHE B 16 4.043 -11.710 -1.743 1.00 1.27 C ATOM 2499 CE1 PHE B 16 5.824 -9.961 -0.595 1.00 1.38 C ATOM 2500 CE2 PHE B 16 4.167 -11.657 -0.373 1.00 1.42 C ATOM 2501 CZ PHE B 16 5.059 -10.780 0.202 1.00 0.97 C ATOM 0 H PHE B 16 4.428 -9.571 -6.000 1.00 0.30 H new ATOM 0 HA PHE B 16 6.543 -9.961 -4.329 1.00 0.36 H new ATOM 0 HB2 PHE B 16 3.821 -10.263 -4.316 1.00 0.44 H new ATOM 0 HB3 PHE B 16 4.301 -11.949 -4.312 1.00 0.44 H new ATOM 0 HD1 PHE B 16 6.294 -9.362 -2.585 1.00 1.21 H new ATOM 0 HD2 PHE B 16 3.342 -12.401 -2.188 1.00 1.27 H new ATOM 0 HE1 PHE B 16 6.528 -9.276 -0.146 1.00 1.38 H new ATOM 0 HE2 PHE B 16 3.565 -12.302 0.250 1.00 1.42 H new ATOM 0 HZ PHE B 16 5.158 -10.735 1.277 1.00 0.97 H new ATOM 2511 N HIS B 17 5.883 -12.779 -5.950 1.00 0.41 N ATOM 2512 CA HIS B 17 6.412 -14.095 -6.343 1.00 0.51 C ATOM 2513 C HIS B 17 7.762 -13.997 -7.054 1.00 0.45 C ATOM 2514 O HIS B 17 8.619 -14.863 -6.880 1.00 0.51 O ATOM 2515 CB HIS B 17 5.431 -14.817 -7.275 1.00 0.68 C ATOM 2516 CG HIS B 17 4.275 -15.482 -6.590 1.00 1.09 C ATOM 2517 ND1 HIS B 17 3.167 -14.964 -6.008 1.00 2.16 N flip ATOM 2518 CD2 HIS B 17 4.149 -16.850 -6.488 1.00 1.26 C flip ATOM 2519 CE1 HIS B 17 2.401 -16.019 -5.577 1.00 2.82 C flip ATOM 2520 NE2 HIS B 17 3.019 -17.143 -5.879 1.00 2.30 N flip ATOM 0 H HIS B 17 4.922 -12.617 -6.250 1.00 0.41 H new ATOM 0 HA HIS B 17 6.545 -14.655 -5.417 1.00 0.51 H new ATOM 0 HB2 HIS B 17 5.041 -14.097 -7.995 1.00 0.68 H new ATOM 0 HB3 HIS B 17 5.979 -15.570 -7.842 1.00 0.68 H new ATOM 0 HD1 HIS B 17 2.943 -13.974 -5.908 1.00 2.16 H new ATOM 0 HD2 HIS B 17 4.866 -17.571 -6.851 1.00 1.26 H new ATOM 0 HE1 HIS B 17 1.449 -15.941 -5.073 1.00 2.82 H new ATOM 2529 N LYS B 18 7.942 -12.944 -7.847 1.00 0.42 N ATOM 2530 CA LYS B 18 9.123 -12.807 -8.696 1.00 0.46 C ATOM 2531 C LYS B 18 10.414 -12.855 -7.886 1.00 0.45 C ATOM 2532 O LYS B 18 11.313 -13.645 -8.173 1.00 0.62 O ATOM 2533 CB LYS B 18 9.099 -11.482 -9.463 1.00 0.55 C ATOM 2534 CG LYS B 18 7.852 -11.234 -10.291 1.00 0.76 C ATOM 2535 CD LYS B 18 7.956 -9.898 -11.008 1.00 0.71 C ATOM 2536 CE LYS B 18 6.695 -9.562 -11.780 1.00 1.40 C ATOM 2537 NZ LYS B 18 6.835 -8.277 -12.516 1.00 1.67 N ATOM 0 H LYS B 18 7.282 -12.170 -7.920 1.00 0.42 H new ATOM 0 HA LYS B 18 9.097 -13.647 -9.390 1.00 0.46 H new ATOM 0 HB2 LYS B 18 9.209 -10.666 -8.749 1.00 0.55 H new ATOM 0 HB3 LYS B 18 9.966 -11.447 -10.123 1.00 0.55 H new ATOM 0 HG2 LYS B 18 7.724 -12.036 -11.018 1.00 0.76 H new ATOM 0 HG3 LYS B 18 6.972 -11.243 -9.648 1.00 0.76 H new ATOM 0 HD2 LYS B 18 8.155 -9.111 -10.280 1.00 0.71 H new ATOM 0 HD3 LYS B 18 8.804 -9.920 -11.693 1.00 0.71 H new ATOM 0 HE2 LYS B 18 6.473 -10.364 -12.484 1.00 1.40 H new ATOM 0 HE3 LYS B 18 5.852 -9.499 -11.092 1.00 1.40 H new ATOM 0 HZ1 LYS B 18 5.944 -8.059 -13.006 1.00 1.67 H new ATOM 0 HZ2 LYS B 18 7.056 -7.514 -11.844 1.00 1.67 H new ATOM 0 HZ3 LYS B 18 7.603 -8.358 -13.213 1.00 1.67 H new ATOM 2551 N TYR B 19 10.498 -12.008 -6.875 1.00 0.39 N ATOM 2552 CA TYR B 19 11.763 -11.764 -6.199 1.00 0.43 C ATOM 2553 C TYR B 19 11.874 -12.527 -4.889 1.00 0.50 C ATOM 2554 O TYR B 19 12.939 -13.039 -4.564 1.00 0.74 O ATOM 2555 CB TYR B 19 11.942 -10.264 -5.969 1.00 0.46 C ATOM 2556 CG TYR B 19 11.798 -9.460 -7.242 1.00 0.41 C ATOM 2557 CD1 TYR B 19 12.859 -9.323 -8.126 1.00 1.17 C ATOM 2558 CD2 TYR B 19 10.591 -8.858 -7.570 1.00 1.17 C ATOM 2559 CE1 TYR B 19 12.721 -8.608 -9.302 1.00 1.21 C ATOM 2560 CE2 TYR B 19 10.445 -8.141 -8.739 1.00 1.17 C ATOM 2561 CZ TYR B 19 11.509 -8.017 -9.602 1.00 0.50 C ATOM 2562 OH TYR B 19 11.356 -7.313 -10.775 1.00 0.61 O ATOM 0 H TYR B 19 9.709 -11.479 -6.504 1.00 0.39 H new ATOM 0 HA TYR B 19 12.562 -12.131 -6.843 1.00 0.43 H new ATOM 0 HB2 TYR B 19 11.206 -9.921 -5.242 1.00 0.46 H new ATOM 0 HB3 TYR B 19 12.926 -10.081 -5.537 1.00 0.46 H new ATOM 0 HD1 TYR B 19 13.808 -9.782 -7.892 1.00 1.17 H new ATOM 0 HD2 TYR B 19 9.751 -8.953 -6.898 1.00 1.17 H new ATOM 0 HE1 TYR B 19 13.555 -8.512 -9.981 1.00 1.21 H new ATOM 0 HE2 TYR B 19 9.498 -7.678 -8.976 1.00 1.17 H new ATOM 0 HH TYR B 19 10.442 -6.964 -10.830 1.00 0.61 H new ATOM 2572 N SER B 20 10.781 -12.621 -4.145 1.00 0.41 N ATOM 2573 CA SER B 20 10.812 -13.300 -2.854 1.00 0.48 C ATOM 2574 C SER B 20 10.969 -14.806 -3.034 1.00 0.57 C ATOM 2575 O SER B 20 11.524 -15.492 -2.181 1.00 0.70 O ATOM 2576 CB SER B 20 9.546 -12.986 -2.063 1.00 0.49 C ATOM 2577 OG SER B 20 8.388 -13.269 -2.820 1.00 0.53 O ATOM 0 H SER B 20 9.871 -12.241 -4.407 1.00 0.41 H new ATOM 0 HA SER B 20 11.674 -12.935 -2.296 1.00 0.48 H new ATOM 0 HB2 SER B 20 9.534 -13.571 -1.143 1.00 0.49 H new ATOM 0 HB3 SER B 20 9.546 -11.935 -1.773 1.00 0.49 H new ATOM 0 HG SER B 20 8.233 -12.546 -3.463 1.00 0.53 H new ATOM 2583 N GLY B 21 10.490 -15.313 -4.163 1.00 0.57 N ATOM 2584 CA GLY B 21 10.626 -16.723 -4.454 1.00 0.68 C ATOM 2585 C GLY B 21 11.969 -17.057 -5.074 1.00 0.71 C ATOM 2586 O GLY B 21 12.152 -18.143 -5.626 1.00 0.86 O ATOM 0 H GLY B 21 10.010 -14.771 -4.881 1.00 0.57 H new ATOM 0 HA2 GLY B 21 10.501 -17.295 -3.535 1.00 0.68 H new ATOM 0 HA3 GLY B 21 9.829 -17.030 -5.132 1.00 0.68 H new ATOM 2590 N LYS B 22 12.909 -16.122 -4.992 1.00 0.73 N ATOM 2591 CA LYS B 22 14.236 -16.330 -5.546 1.00 0.79 C ATOM 2592 C LYS B 22 15.161 -16.940 -4.498 1.00 0.88 C ATOM 2593 O LYS B 22 15.761 -17.993 -4.726 1.00 0.96 O ATOM 2594 CB LYS B 22 14.813 -15.012 -6.080 1.00 0.81 C ATOM 2595 CG LYS B 22 16.245 -15.128 -6.580 1.00 1.23 C ATOM 2596 CD LYS B 22 16.702 -13.867 -7.300 1.00 1.30 C ATOM 2597 CE LYS B 22 15.998 -13.695 -8.637 1.00 1.75 C ATOM 2598 NZ LYS B 22 16.623 -12.623 -9.457 1.00 2.10 N ATOM 0 H LYS B 22 12.774 -15.214 -4.547 1.00 0.73 H new ATOM 0 HA LYS B 22 14.156 -17.027 -6.380 1.00 0.79 H new ATOM 0 HB2 LYS B 22 14.182 -14.653 -6.893 1.00 0.81 H new ATOM 0 HB3 LYS B 22 14.773 -14.262 -5.290 1.00 0.81 H new ATOM 0 HG2 LYS B 22 16.908 -15.325 -5.738 1.00 1.23 H new ATOM 0 HG3 LYS B 22 16.325 -15.980 -7.255 1.00 1.23 H new ATOM 0 HD2 LYS B 22 16.506 -12.998 -6.672 1.00 1.30 H new ATOM 0 HD3 LYS B 22 17.780 -13.909 -7.459 1.00 1.30 H new ATOM 0 HE2 LYS B 22 16.026 -14.636 -9.186 1.00 1.75 H new ATOM 0 HE3 LYS B 22 14.948 -13.457 -8.467 1.00 1.75 H new ATOM 0 HZ1 LYS B 22 15.882 -12.002 -9.840 1.00 2.10 H new ATOM 0 HZ2 LYS B 22 17.270 -12.065 -8.864 1.00 2.10 H new ATOM 0 HZ3 LYS B 22 17.155 -13.051 -10.242 1.00 2.10 H new ATOM 2612 N GLU B 23 15.264 -16.294 -3.346 1.00 0.97 N ATOM 2613 CA GLU B 23 16.100 -16.802 -2.270 1.00 1.14 C ATOM 2614 C GLU B 23 15.254 -17.486 -1.208 1.00 1.25 C ATOM 2615 O GLU B 23 15.564 -18.599 -0.778 1.00 1.57 O ATOM 2616 CB GLU B 23 16.926 -15.685 -1.634 1.00 1.46 C ATOM 2617 CG GLU B 23 17.964 -15.086 -2.566 1.00 1.92 C ATOM 2618 CD GLU B 23 18.824 -14.052 -1.875 1.00 2.47 C ATOM 2619 OE1 GLU B 23 19.733 -14.443 -1.114 1.00 2.95 O ATOM 2620 OE2 GLU B 23 18.602 -12.846 -2.094 1.00 3.11 O ATOM 0 H GLU B 23 14.781 -15.421 -3.133 1.00 0.97 H new ATOM 0 HA GLU B 23 16.784 -17.532 -2.704 1.00 1.14 H new ATOM 0 HB2 GLU B 23 16.254 -14.895 -1.297 1.00 1.46 H new ATOM 0 HB3 GLU B 23 17.428 -16.075 -0.749 1.00 1.46 H new ATOM 0 HG2 GLU B 23 18.599 -15.880 -2.958 1.00 1.92 H new ATOM 0 HG3 GLU B 23 17.463 -14.628 -3.419 1.00 1.92 H new ATOM 2627 N GLY B 24 14.180 -16.830 -0.798 1.00 1.31 N ATOM 2628 CA GLY B 24 13.339 -17.379 0.244 1.00 1.56 C ATOM 2629 C GLY B 24 12.005 -17.861 -0.281 1.00 1.33 C ATOM 2630 O GLY B 24 11.936 -18.552 -1.300 1.00 1.43 O ATOM 0 H GLY B 24 13.876 -15.929 -1.167 1.00 1.31 H new ATOM 0 HA2 GLY B 24 13.857 -18.208 0.725 1.00 1.56 H new ATOM 0 HA3 GLY B 24 13.172 -16.621 1.009 1.00 1.56 H new ATOM 2634 N ASP B 25 10.946 -17.505 0.423 1.00 1.16 N ATOM 2635 CA ASP B 25 9.601 -17.881 0.025 1.00 1.06 C ATOM 2636 C ASP B 25 8.920 -16.714 -0.661 1.00 0.90 C ATOM 2637 O ASP B 25 9.201 -15.562 -0.339 1.00 0.91 O ATOM 2638 CB ASP B 25 8.780 -18.326 1.235 1.00 1.15 C ATOM 2639 CG ASP B 25 9.305 -19.601 1.855 1.00 1.33 C ATOM 2640 OD1 ASP B 25 10.223 -19.523 2.698 1.00 1.82 O ATOM 2641 OD2 ASP B 25 8.809 -20.688 1.498 1.00 1.98 O ATOM 0 H ASP B 25 10.992 -16.952 1.279 1.00 1.16 H new ATOM 0 HA ASP B 25 9.669 -18.718 -0.670 1.00 1.06 H new ATOM 0 HB2 ASP B 25 8.784 -17.534 1.984 1.00 1.15 H new ATOM 0 HB3 ASP B 25 7.743 -18.473 0.932 1.00 1.15 H new ATOM 2646 N LYS B 26 8.012 -17.018 -1.581 1.00 0.95 N ATOM 2647 CA LYS B 26 7.335 -15.998 -2.389 1.00 0.88 C ATOM 2648 C LYS B 26 6.397 -15.092 -1.569 1.00 0.83 C ATOM 2649 O LYS B 26 5.510 -14.448 -2.128 1.00 0.88 O ATOM 2650 CB LYS B 26 6.547 -16.642 -3.544 1.00 1.08 C ATOM 2651 CG LYS B 26 5.247 -17.348 -3.139 1.00 1.43 C ATOM 2652 CD LYS B 26 5.469 -18.656 -2.391 1.00 1.59 C ATOM 2653 CE LYS B 26 6.243 -19.668 -3.225 1.00 1.81 C ATOM 2654 NZ LYS B 26 6.307 -20.996 -2.562 1.00 2.62 N ATOM 0 H LYS B 26 7.722 -17.973 -1.791 1.00 0.95 H new ATOM 0 HA LYS B 26 8.128 -15.366 -2.789 1.00 0.88 H new ATOM 0 HB2 LYS B 26 6.309 -15.869 -4.274 1.00 1.08 H new ATOM 0 HB3 LYS B 26 7.193 -17.364 -4.044 1.00 1.08 H new ATOM 0 HG2 LYS B 26 4.659 -16.677 -2.513 1.00 1.43 H new ATOM 0 HG3 LYS B 26 4.658 -17.547 -4.034 1.00 1.43 H new ATOM 0 HD2 LYS B 26 6.012 -18.457 -1.467 1.00 1.59 H new ATOM 0 HD3 LYS B 26 4.505 -19.080 -2.109 1.00 1.59 H new ATOM 0 HE2 LYS B 26 5.770 -19.772 -4.202 1.00 1.81 H new ATOM 0 HE3 LYS B 26 7.254 -19.299 -3.398 1.00 1.81 H new ATOM 0 HZ1 LYS B 26 6.842 -21.657 -3.160 1.00 2.62 H new ATOM 0 HZ2 LYS B 26 6.781 -20.902 -1.641 1.00 2.62 H new ATOM 0 HZ3 LYS B 26 5.343 -21.360 -2.420 1.00 2.62 H new ATOM 2668 N PHE B 27 6.605 -15.032 -0.261 1.00 0.79 N ATOM 2669 CA PHE B 27 5.840 -14.135 0.594 1.00 0.79 C ATOM 2670 C PHE B 27 6.757 -13.324 1.503 1.00 0.71 C ATOM 2671 O PHE B 27 6.289 -12.643 2.416 1.00 0.70 O ATOM 2672 CB PHE B 27 4.806 -14.913 1.420 1.00 0.99 C ATOM 2673 CG PHE B 27 5.369 -16.065 2.214 1.00 0.72 C ATOM 2674 CD1 PHE B 27 6.232 -15.849 3.278 1.00 1.64 C ATOM 2675 CD2 PHE B 27 5.018 -17.368 1.899 1.00 1.53 C ATOM 2676 CE1 PHE B 27 6.735 -16.907 4.008 1.00 2.41 C ATOM 2677 CE2 PHE B 27 5.515 -18.431 2.629 1.00 2.34 C ATOM 2678 CZ PHE B 27 6.376 -18.201 3.685 1.00 2.60 C ATOM 0 H PHE B 27 7.298 -15.595 0.232 1.00 0.79 H new ATOM 0 HA PHE B 27 5.305 -13.438 -0.051 1.00 0.79 H new ATOM 0 HB2 PHE B 27 4.316 -14.222 2.106 1.00 0.99 H new ATOM 0 HB3 PHE B 27 4.037 -15.294 0.748 1.00 0.99 H new ATOM 0 HD1 PHE B 27 6.514 -14.840 3.539 1.00 1.64 H new ATOM 0 HD2 PHE B 27 4.348 -17.555 1.073 1.00 1.53 H new ATOM 0 HE1 PHE B 27 7.409 -16.723 4.832 1.00 2.41 H new ATOM 0 HE2 PHE B 27 5.231 -19.441 2.374 1.00 2.34 H new ATOM 0 HZ PHE B 27 6.767 -19.030 4.256 1.00 2.60 H new ATOM 2688 N LYS B 28 8.059 -13.389 1.256 1.00 0.69 N ATOM 2689 CA LYS B 28 9.009 -12.647 2.066 1.00 0.68 C ATOM 2690 C LYS B 28 10.277 -12.331 1.283 1.00 0.50 C ATOM 2691 O LYS B 28 10.864 -13.204 0.648 1.00 0.54 O ATOM 2692 CB LYS B 28 9.346 -13.425 3.338 1.00 0.92 C ATOM 2693 CG LYS B 28 10.015 -14.763 3.084 1.00 0.93 C ATOM 2694 CD LYS B 28 10.226 -15.508 4.381 1.00 0.98 C ATOM 2695 CE LYS B 28 11.075 -16.752 4.174 1.00 1.51 C ATOM 2696 NZ LYS B 28 11.430 -17.395 5.463 1.00 1.98 N ATOM 0 H LYS B 28 8.476 -13.943 0.508 1.00 0.69 H new ATOM 0 HA LYS B 28 8.545 -11.701 2.345 1.00 0.68 H new ATOM 0 HB2 LYS B 28 10.000 -12.816 3.962 1.00 0.92 H new ATOM 0 HB3 LYS B 28 8.429 -13.590 3.904 1.00 0.92 H new ATOM 0 HG2 LYS B 28 9.400 -15.361 2.411 1.00 0.93 H new ATOM 0 HG3 LYS B 28 10.973 -14.608 2.588 1.00 0.93 H new ATOM 0 HD2 LYS B 28 10.710 -14.852 5.105 1.00 0.98 H new ATOM 0 HD3 LYS B 28 9.261 -15.790 4.802 1.00 0.98 H new ATOM 0 HE2 LYS B 28 10.533 -17.463 3.550 1.00 1.51 H new ATOM 0 HE3 LYS B 28 11.986 -16.486 3.637 1.00 1.51 H new ATOM 0 HZ1 LYS B 28 12.167 -18.111 5.302 1.00 1.98 H new ATOM 0 HZ2 LYS B 28 11.785 -16.675 6.124 1.00 1.98 H new ATOM 0 HZ3 LYS B 28 10.587 -17.851 5.867 1.00 1.98 H new ATOM 2710 N LEU B 29 10.694 -11.075 1.331 1.00 0.38 N ATOM 2711 CA LEU B 29 11.862 -10.630 0.582 1.00 0.32 C ATOM 2712 C LEU B 29 12.969 -10.180 1.521 1.00 0.33 C ATOM 2713 O LEU B 29 12.744 -9.345 2.394 1.00 0.42 O ATOM 2714 CB LEU B 29 11.516 -9.463 -0.356 1.00 0.29 C ATOM 2715 CG LEU B 29 10.466 -9.747 -1.434 1.00 0.29 C ATOM 2716 CD1 LEU B 29 9.066 -9.676 -0.856 1.00 0.34 C ATOM 2717 CD2 LEU B 29 10.616 -8.770 -2.588 1.00 0.31 C ATOM 0 H LEU B 29 10.242 -10.345 1.881 1.00 0.38 H new ATOM 0 HA LEU B 29 12.200 -11.481 -0.009 1.00 0.32 H new ATOM 0 HB2 LEU B 29 11.166 -8.628 0.251 1.00 0.29 H new ATOM 0 HB3 LEU B 29 12.432 -9.137 -0.848 1.00 0.29 H new ATOM 0 HG LEU B 29 10.626 -10.757 -1.810 1.00 0.29 H new ATOM 0 HD11 LEU B 29 8.338 -9.881 -1.641 1.00 0.34 H new ATOM 0 HD12 LEU B 29 8.962 -10.416 -0.062 1.00 0.34 H new ATOM 0 HD13 LEU B 29 8.890 -8.680 -0.449 1.00 0.34 H new ATOM 0 HD21 LEU B 29 9.863 -8.984 -3.346 1.00 0.31 H new ATOM 0 HD22 LEU B 29 10.483 -7.752 -2.222 1.00 0.31 H new ATOM 0 HD23 LEU B 29 11.610 -8.872 -3.024 1.00 0.31 H new ATOM 2729 N ASN B 30 14.160 -10.729 1.345 1.00 0.31 N ATOM 2730 CA ASN B 30 15.318 -10.262 2.092 1.00 0.31 C ATOM 2731 C ASN B 30 15.904 -9.040 1.389 1.00 0.27 C ATOM 2732 O ASN B 30 15.344 -8.573 0.395 1.00 0.26 O ATOM 2733 CB ASN B 30 16.376 -11.369 2.243 1.00 0.35 C ATOM 2734 CG ASN B 30 17.335 -11.460 1.071 1.00 0.58 C ATOM 2735 OD1 ASN B 30 18.409 -10.855 1.078 1.00 1.17 O ATOM 2736 ND2 ASN B 30 16.959 -12.205 0.059 1.00 0.60 N ATOM 0 H ASN B 30 14.350 -11.493 0.697 1.00 0.31 H new ATOM 0 HA ASN B 30 15.001 -9.986 3.098 1.00 0.31 H new ATOM 0 HB2 ASN B 30 16.946 -11.192 3.155 1.00 0.35 H new ATOM 0 HB3 ASN B 30 15.871 -12.328 2.363 1.00 0.35 H new ATOM 0 HD21 ASN B 30 17.563 -12.298 -0.758 1.00 0.60 H new ATOM 0 HD22 ASN B 30 16.063 -12.691 0.089 1.00 0.60 H new ATOM 2743 N LYS B 31 17.015 -8.522 1.911 1.00 0.27 N ATOM 2744 CA LYS B 31 17.645 -7.319 1.368 1.00 0.26 C ATOM 2745 C LYS B 31 17.787 -7.401 -0.155 1.00 0.25 C ATOM 2746 O LYS B 31 17.322 -6.528 -0.885 1.00 0.28 O ATOM 2747 CB LYS B 31 19.039 -7.120 1.974 1.00 0.29 C ATOM 2748 CG LYS B 31 19.096 -7.244 3.487 1.00 0.40 C ATOM 2749 CD LYS B 31 20.521 -7.062 3.991 1.00 0.49 C ATOM 2750 CE LYS B 31 20.701 -7.608 5.396 1.00 1.20 C ATOM 2751 NZ LYS B 31 19.882 -6.884 6.398 1.00 1.72 N ATOM 0 H LYS B 31 17.500 -8.920 2.715 1.00 0.27 H new ATOM 0 HA LYS B 31 17.001 -6.478 1.625 1.00 0.26 H new ATOM 0 HB2 LYS B 31 19.718 -7.852 1.537 1.00 0.29 H new ATOM 0 HB3 LYS B 31 19.407 -6.134 1.690 1.00 0.29 H new ATOM 0 HG2 LYS B 31 18.446 -6.497 3.942 1.00 0.40 H new ATOM 0 HG3 LYS B 31 18.720 -8.221 3.791 1.00 0.40 H new ATOM 0 HD2 LYS B 31 21.212 -7.566 3.315 1.00 0.49 H new ATOM 0 HD3 LYS B 31 20.778 -6.003 3.978 1.00 0.49 H new ATOM 0 HE2 LYS B 31 20.433 -8.665 5.408 1.00 1.20 H new ATOM 0 HE3 LYS B 31 21.752 -7.542 5.676 1.00 1.20 H new ATOM 0 HZ1 LYS B 31 20.478 -6.622 7.209 1.00 1.72 H new ATOM 0 HZ2 LYS B 31 19.486 -6.024 5.967 1.00 1.72 H new ATOM 0 HZ3 LYS B 31 19.107 -7.497 6.722 1.00 1.72 H new ATOM 2765 N SER B 32 18.408 -8.473 -0.626 1.00 0.25 N ATOM 2766 CA SER B 32 18.720 -8.619 -2.040 1.00 0.27 C ATOM 2767 C SER B 32 17.451 -8.730 -2.886 1.00 0.24 C ATOM 2768 O SER B 32 17.389 -8.205 -4.002 1.00 0.27 O ATOM 2769 CB SER B 32 19.608 -9.848 -2.249 1.00 0.35 C ATOM 2770 OG SER B 32 20.128 -9.892 -3.567 1.00 1.27 O ATOM 0 H SER B 32 18.707 -9.257 -0.046 1.00 0.25 H new ATOM 0 HA SER B 32 19.254 -7.726 -2.365 1.00 0.27 H new ATOM 0 HB2 SER B 32 20.429 -9.831 -1.533 1.00 0.35 H new ATOM 0 HB3 SER B 32 19.032 -10.752 -2.053 1.00 0.35 H new ATOM 0 HG SER B 32 20.692 -10.687 -3.670 1.00 1.27 H new ATOM 2776 N GLU B 33 16.435 -9.384 -2.338 1.00 0.25 N ATOM 2777 CA GLU B 33 15.193 -9.610 -3.065 1.00 0.27 C ATOM 2778 C GLU B 33 14.395 -8.318 -3.165 1.00 0.24 C ATOM 2779 O GLU B 33 13.793 -8.022 -4.198 1.00 0.26 O ATOM 2780 CB GLU B 33 14.381 -10.712 -2.381 1.00 0.34 C ATOM 2781 CG GLU B 33 15.082 -12.062 -2.414 1.00 0.47 C ATOM 2782 CD GLU B 33 14.445 -13.095 -1.506 1.00 0.83 C ATOM 2783 OE1 GLU B 33 14.344 -12.829 -0.287 1.00 1.65 O ATOM 2784 OE2 GLU B 33 14.078 -14.183 -1.995 1.00 1.43 O ATOM 0 H GLU B 33 16.447 -9.767 -1.393 1.00 0.25 H new ATOM 0 HA GLU B 33 15.426 -9.937 -4.078 1.00 0.27 H new ATOM 0 HB2 GLU B 33 14.193 -10.430 -1.345 1.00 0.34 H new ATOM 0 HB3 GLU B 33 13.410 -10.799 -2.869 1.00 0.34 H new ATOM 0 HG2 GLU B 33 15.081 -12.438 -3.437 1.00 0.47 H new ATOM 0 HG3 GLU B 33 16.124 -11.929 -2.125 1.00 0.47 H new ATOM 2791 N LEU B 34 14.413 -7.538 -2.090 1.00 0.21 N ATOM 2792 CA LEU B 34 13.780 -6.229 -2.089 1.00 0.21 C ATOM 2793 C LEU B 34 14.491 -5.277 -3.035 1.00 0.20 C ATOM 2794 O LEU B 34 13.849 -4.513 -3.750 1.00 0.24 O ATOM 2795 CB LEU B 34 13.764 -5.649 -0.682 1.00 0.21 C ATOM 2796 CG LEU B 34 12.531 -6.003 0.138 1.00 0.21 C ATOM 2797 CD1 LEU B 34 12.746 -5.633 1.591 1.00 0.24 C ATOM 2798 CD2 LEU B 34 11.311 -5.291 -0.427 1.00 0.21 C ATOM 0 H LEU B 34 14.860 -7.792 -1.209 1.00 0.21 H new ATOM 0 HA LEU B 34 12.754 -6.353 -2.435 1.00 0.21 H new ATOM 0 HB2 LEU B 34 14.650 -5.997 -0.150 1.00 0.21 H new ATOM 0 HB3 LEU B 34 13.839 -4.564 -0.750 1.00 0.21 H new ATOM 0 HG LEU B 34 12.360 -7.078 0.082 1.00 0.21 H new ATOM 0 HD11 LEU B 34 11.858 -5.891 2.167 1.00 0.24 H new ATOM 0 HD12 LEU B 34 13.604 -6.180 1.983 1.00 0.24 H new ATOM 0 HD13 LEU B 34 12.932 -4.562 1.670 1.00 0.24 H new ATOM 0 HD21 LEU B 34 10.433 -5.549 0.165 1.00 0.21 H new ATOM 0 HD22 LEU B 34 11.469 -4.213 -0.390 1.00 0.21 H new ATOM 0 HD23 LEU B 34 11.156 -5.600 -1.461 1.00 0.21 H new ATOM 2810 N LYS B 35 15.817 -5.325 -3.041 1.00 0.21 N ATOM 2811 CA LYS B 35 16.591 -4.460 -3.913 1.00 0.26 C ATOM 2812 C LYS B 35 16.205 -4.690 -5.363 1.00 0.22 C ATOM 2813 O LYS B 35 15.945 -3.740 -6.089 1.00 0.24 O ATOM 2814 CB LYS B 35 18.096 -4.659 -3.717 1.00 0.37 C ATOM 2815 CG LYS B 35 18.930 -3.574 -4.390 1.00 0.54 C ATOM 2816 CD LYS B 35 20.313 -3.451 -3.769 1.00 0.68 C ATOM 2817 CE LYS B 35 21.185 -4.653 -4.080 1.00 0.61 C ATOM 2818 NZ LYS B 35 22.482 -4.589 -3.360 1.00 0.95 N ATOM 0 H LYS B 35 16.373 -5.949 -2.456 1.00 0.21 H new ATOM 0 HA LYS B 35 16.361 -3.428 -3.647 1.00 0.26 H new ATOM 0 HB2 LYS B 35 18.320 -4.673 -2.650 1.00 0.37 H new ATOM 0 HB3 LYS B 35 18.384 -5.632 -4.116 1.00 0.37 H new ATOM 0 HG2 LYS B 35 19.028 -3.799 -5.452 1.00 0.54 H new ATOM 0 HG3 LYS B 35 18.412 -2.618 -4.313 1.00 0.54 H new ATOM 0 HD2 LYS B 35 20.797 -2.547 -4.138 1.00 0.68 H new ATOM 0 HD3 LYS B 35 20.217 -3.343 -2.689 1.00 0.68 H new ATOM 0 HE2 LYS B 35 20.659 -5.566 -3.802 1.00 0.61 H new ATOM 0 HE3 LYS B 35 21.366 -4.703 -5.154 1.00 0.61 H new ATOM 0 HZ1 LYS B 35 23.052 -5.426 -3.596 1.00 0.95 H new ATOM 0 HZ2 LYS B 35 22.995 -3.730 -3.644 1.00 0.95 H new ATOM 0 HZ3 LYS B 35 22.309 -4.566 -2.335 1.00 0.95 H new ATOM 2832 N GLU B 36 16.133 -5.947 -5.782 1.00 0.22 N ATOM 2833 CA GLU B 36 15.693 -6.255 -7.136 1.00 0.24 C ATOM 2834 C GLU B 36 14.272 -5.761 -7.379 1.00 0.25 C ATOM 2835 O GLU B 36 13.977 -5.214 -8.438 1.00 0.32 O ATOM 2836 CB GLU B 36 15.770 -7.743 -7.425 1.00 0.28 C ATOM 2837 CG GLU B 36 17.003 -8.147 -8.209 1.00 0.65 C ATOM 2838 CD GLU B 36 16.952 -9.588 -8.658 1.00 0.77 C ATOM 2839 OE1 GLU B 36 16.285 -9.872 -9.671 1.00 1.48 O ATOM 2840 OE2 GLU B 36 17.578 -10.449 -8.007 1.00 1.30 O ATOM 0 H GLU B 36 16.370 -6.759 -5.213 1.00 0.22 H new ATOM 0 HA GLU B 36 16.370 -5.735 -7.813 1.00 0.24 H new ATOM 0 HB2 GLU B 36 15.755 -8.289 -6.482 1.00 0.28 H new ATOM 0 HB3 GLU B 36 14.882 -8.043 -7.981 1.00 0.28 H new ATOM 0 HG2 GLU B 36 17.104 -7.501 -9.081 1.00 0.65 H new ATOM 0 HG3 GLU B 36 17.889 -7.992 -7.593 1.00 0.65 H new ATOM 2847 N LEU B 37 13.400 -5.955 -6.395 1.00 0.23 N ATOM 2848 CA LEU B 37 12.031 -5.449 -6.466 1.00 0.26 C ATOM 2849 C LEU B 37 12.042 -3.967 -6.831 1.00 0.22 C ATOM 2850 O LEU B 37 11.503 -3.559 -7.863 1.00 0.22 O ATOM 2851 CB LEU B 37 11.339 -5.623 -5.112 1.00 0.32 C ATOM 2852 CG LEU B 37 9.839 -5.324 -5.086 1.00 0.41 C ATOM 2853 CD1 LEU B 37 9.036 -6.546 -5.503 1.00 0.34 C ATOM 2854 CD2 LEU B 37 9.421 -4.849 -3.705 1.00 0.74 C ATOM 0 H LEU B 37 13.617 -6.460 -5.536 1.00 0.23 H new ATOM 0 HA LEU B 37 11.491 -6.010 -7.228 1.00 0.26 H new ATOM 0 HB2 LEU B 37 11.491 -6.649 -4.777 1.00 0.32 H new ATOM 0 HB3 LEU B 37 11.832 -4.975 -4.388 1.00 0.32 H new ATOM 0 HG LEU B 37 9.634 -4.528 -5.802 1.00 0.41 H new ATOM 0 HD11 LEU B 37 7.972 -6.309 -5.477 1.00 0.34 H new ATOM 0 HD12 LEU B 37 9.318 -6.839 -6.515 1.00 0.34 H new ATOM 0 HD13 LEU B 37 9.242 -7.368 -4.817 1.00 0.34 H new ATOM 0 HD21 LEU B 37 8.351 -4.640 -3.701 1.00 0.74 H new ATOM 0 HD22 LEU B 37 9.642 -5.624 -2.971 1.00 0.74 H new ATOM 0 HD23 LEU B 37 9.969 -3.942 -3.451 1.00 0.74 H new ATOM 2866 N LEU B 38 12.699 -3.179 -5.987 1.00 0.19 N ATOM 2867 CA LEU B 38 12.740 -1.736 -6.149 1.00 0.19 C ATOM 2868 C LEU B 38 13.553 -1.309 -7.376 1.00 0.19 C ATOM 2869 O LEU B 38 13.147 -0.410 -8.094 1.00 0.21 O ATOM 2870 CB LEU B 38 13.282 -1.073 -4.877 1.00 0.19 C ATOM 2871 CG LEU B 38 12.296 -1.006 -3.705 1.00 0.19 C ATOM 2872 CD1 LEU B 38 12.724 -1.926 -2.574 1.00 0.20 C ATOM 2873 CD2 LEU B 38 12.167 0.422 -3.203 1.00 0.20 C ATOM 0 H LEU B 38 13.214 -3.523 -5.177 1.00 0.19 H new ATOM 0 HA LEU B 38 11.717 -1.399 -6.317 1.00 0.19 H new ATOM 0 HB2 LEU B 38 14.170 -1.616 -4.553 1.00 0.19 H new ATOM 0 HB3 LEU B 38 13.600 -0.060 -5.122 1.00 0.19 H new ATOM 0 HG LEU B 38 11.324 -1.343 -4.064 1.00 0.19 H new ATOM 0 HD11 LEU B 38 12.006 -1.857 -1.757 1.00 0.20 H new ATOM 0 HD12 LEU B 38 12.764 -2.953 -2.936 1.00 0.20 H new ATOM 0 HD13 LEU B 38 13.710 -1.629 -2.216 1.00 0.20 H new ATOM 0 HD21 LEU B 38 11.464 0.453 -2.371 1.00 0.20 H new ATOM 0 HD22 LEU B 38 13.141 0.779 -2.868 1.00 0.20 H new ATOM 0 HD23 LEU B 38 11.804 1.060 -4.009 1.00 0.20 H new ATOM 2885 N THR B 39 14.679 -1.960 -7.637 1.00 0.20 N ATOM 2886 CA THR B 39 15.522 -1.582 -8.775 1.00 0.22 C ATOM 2887 C THR B 39 14.781 -1.755 -10.092 1.00 0.23 C ATOM 2888 O THR B 39 14.936 -0.961 -11.020 1.00 0.27 O ATOM 2889 CB THR B 39 16.820 -2.411 -8.838 1.00 0.25 C ATOM 2890 OG1 THR B 39 16.520 -3.808 -8.769 1.00 0.30 O ATOM 2891 CG2 THR B 39 17.753 -2.047 -7.706 1.00 0.27 C ATOM 0 H THR B 39 15.031 -2.743 -7.087 1.00 0.20 H new ATOM 0 HA THR B 39 15.776 -0.533 -8.625 1.00 0.22 H new ATOM 0 HB THR B 39 17.311 -2.187 -9.785 1.00 0.25 H new ATOM 0 HG1 THR B 39 15.553 -3.930 -8.668 1.00 0.30 H new ATOM 0 HG21 THR B 39 18.660 -2.647 -7.775 1.00 0.27 H new ATOM 0 HG22 THR B 39 18.011 -0.990 -7.773 1.00 0.27 H new ATOM 0 HG23 THR B 39 17.261 -2.241 -6.753 1.00 0.27 H new ATOM 2899 N ARG B 40 13.972 -2.795 -10.160 1.00 0.24 N ATOM 2900 CA ARG B 40 13.274 -3.140 -11.379 1.00 0.27 C ATOM 2901 C ARG B 40 11.981 -2.351 -11.534 1.00 0.27 C ATOM 2902 O ARG B 40 11.811 -1.608 -12.503 1.00 0.30 O ATOM 2903 CB ARG B 40 12.982 -4.637 -11.392 1.00 0.31 C ATOM 2904 CG ARG B 40 14.227 -5.503 -11.487 1.00 0.34 C ATOM 2905 CD ARG B 40 14.951 -5.299 -12.805 1.00 0.44 C ATOM 2906 NE ARG B 40 14.143 -5.751 -13.938 1.00 0.64 N ATOM 2907 CZ ARG B 40 13.842 -4.998 -14.994 1.00 0.87 C ATOM 2908 NH1 ARG B 40 14.270 -3.745 -15.069 1.00 1.22 N ATOM 2909 NH2 ARG B 40 13.111 -5.501 -15.979 1.00 1.06 N ATOM 0 H ARG B 40 13.782 -3.420 -9.376 1.00 0.24 H new ATOM 0 HA ARG B 40 13.916 -2.882 -12.221 1.00 0.27 H new ATOM 0 HB2 ARG B 40 12.436 -4.899 -10.486 1.00 0.31 H new ATOM 0 HB3 ARG B 40 12.328 -4.863 -12.234 1.00 0.31 H new ATOM 0 HG2 ARG B 40 14.899 -5.267 -10.662 1.00 0.34 H new ATOM 0 HG3 ARG B 40 13.950 -6.552 -11.382 1.00 0.34 H new ATOM 0 HD2 ARG B 40 15.193 -4.243 -12.928 1.00 0.44 H new ATOM 0 HD3 ARG B 40 15.895 -5.843 -12.790 1.00 0.44 H new ATOM 0 HE ARG B 40 13.787 -6.706 -13.917 1.00 0.64 H new ATOM 0 HH11 ARG B 40 14.834 -3.353 -14.315 1.00 1.22 H new ATOM 0 HH12 ARG B 40 14.036 -3.174 -15.881 1.00 1.22 H new ATOM 0 HH21 ARG B 40 12.780 -6.464 -15.928 1.00 1.06 H new ATOM 0 HH22 ARG B 40 12.880 -4.925 -16.788 1.00 1.06 H new ATOM 2923 N GLU B 41 11.069 -2.510 -10.587 1.00 0.27 N ATOM 2924 CA GLU B 41 9.734 -1.945 -10.727 1.00 0.30 C ATOM 2925 C GLU B 41 9.527 -0.659 -9.925 1.00 0.34 C ATOM 2926 O GLU B 41 8.519 0.014 -10.107 1.00 0.46 O ATOM 2927 CB GLU B 41 8.681 -2.992 -10.379 1.00 0.36 C ATOM 2928 CG GLU B 41 8.402 -3.952 -11.527 1.00 0.45 C ATOM 2929 CD GLU B 41 7.554 -5.140 -11.118 1.00 0.83 C ATOM 2930 OE1 GLU B 41 6.403 -4.933 -10.686 1.00 1.59 O ATOM 2931 OE2 GLU B 41 8.035 -6.287 -11.233 1.00 1.54 O ATOM 0 H GLU B 41 11.226 -3.022 -9.719 1.00 0.27 H new ATOM 0 HA GLU B 41 9.622 -1.657 -11.772 1.00 0.30 H new ATOM 0 HB2 GLU B 41 9.013 -3.559 -9.509 1.00 0.36 H new ATOM 0 HB3 GLU B 41 7.755 -2.490 -10.098 1.00 0.36 H new ATOM 0 HG2 GLU B 41 7.898 -3.413 -12.329 1.00 0.45 H new ATOM 0 HG3 GLU B 41 9.349 -4.311 -11.930 1.00 0.45 H new ATOM 2938 N LEU B 42 10.464 -0.294 -9.053 1.00 0.27 N ATOM 2939 CA LEU B 42 10.328 0.956 -8.288 1.00 0.28 C ATOM 2940 C LEU B 42 11.544 1.879 -8.467 1.00 0.27 C ATOM 2941 O LEU B 42 12.044 2.430 -7.490 1.00 0.26 O ATOM 2942 CB LEU B 42 10.151 0.669 -6.787 1.00 0.27 C ATOM 2943 CG LEU B 42 8.968 -0.221 -6.396 1.00 0.27 C ATOM 2944 CD1 LEU B 42 9.268 -1.671 -6.705 1.00 0.26 C ATOM 2945 CD2 LEU B 42 8.633 -0.049 -4.924 1.00 0.32 C ATOM 0 H LEU B 42 11.310 -0.828 -8.857 1.00 0.27 H new ATOM 0 HA LEU B 42 9.443 1.458 -8.679 1.00 0.28 H new ATOM 0 HB2 LEU B 42 11.065 0.203 -6.419 1.00 0.27 H new ATOM 0 HB3 LEU B 42 10.047 1.622 -6.267 1.00 0.27 H new ATOM 0 HG LEU B 42 8.102 0.084 -6.984 1.00 0.27 H new ATOM 0 HD11 LEU B 42 8.416 -2.288 -6.420 1.00 0.26 H new ATOM 0 HD12 LEU B 42 9.457 -1.784 -7.773 1.00 0.26 H new ATOM 0 HD13 LEU B 42 10.148 -1.988 -6.145 1.00 0.26 H new ATOM 0 HD21 LEU B 42 7.790 -0.690 -4.665 1.00 0.32 H new ATOM 0 HD22 LEU B 42 9.497 -0.325 -4.320 1.00 0.32 H new ATOM 0 HD23 LEU B 42 8.371 0.991 -4.730 1.00 0.32 H new ATOM 2957 N PRO B 43 12.013 2.104 -9.709 1.00 0.31 N ATOM 2958 CA PRO B 43 13.275 2.813 -9.956 1.00 0.33 C ATOM 2959 C PRO B 43 13.223 4.277 -9.526 1.00 0.33 C ATOM 2960 O PRO B 43 14.210 4.829 -9.039 1.00 0.36 O ATOM 2961 CB PRO B 43 13.465 2.714 -11.473 1.00 0.41 C ATOM 2962 CG PRO B 43 12.500 1.673 -11.933 1.00 0.51 C ATOM 2963 CD PRO B 43 11.358 1.717 -10.962 1.00 0.35 C ATOM 0 HA PRO B 43 14.092 2.376 -9.382 1.00 0.33 H new ATOM 0 HB2 PRO B 43 13.268 3.671 -11.956 1.00 0.41 H new ATOM 0 HB3 PRO B 43 14.489 2.436 -11.722 1.00 0.41 H new ATOM 0 HG2 PRO B 43 12.159 1.877 -12.948 1.00 0.51 H new ATOM 0 HG3 PRO B 43 12.965 0.687 -11.946 1.00 0.51 H new ATOM 0 HD2 PRO B 43 10.599 2.440 -11.262 1.00 0.35 H new ATOM 0 HD3 PRO B 43 10.861 0.750 -10.877 1.00 0.35 H new ATOM 2971 N SER B 44 12.066 4.897 -9.705 1.00 0.36 N ATOM 2972 CA SER B 44 11.883 6.298 -9.359 1.00 0.39 C ATOM 2973 C SER B 44 11.835 6.496 -7.849 1.00 0.35 C ATOM 2974 O SER B 44 12.376 7.469 -7.323 1.00 0.40 O ATOM 2975 CB SER B 44 10.593 6.811 -9.988 1.00 0.46 C ATOM 2976 OG SER B 44 9.566 5.840 -9.870 1.00 1.09 O ATOM 0 H SER B 44 11.235 4.448 -10.090 1.00 0.36 H new ATOM 0 HA SER B 44 12.734 6.860 -9.744 1.00 0.39 H new ATOM 0 HB2 SER B 44 10.286 7.736 -9.500 1.00 0.46 H new ATOM 0 HB3 SER B 44 10.761 7.046 -11.039 1.00 0.46 H new ATOM 0 HG SER B 44 8.743 6.183 -10.276 1.00 1.09 H new ATOM 2982 N PHE B 45 11.192 5.558 -7.161 1.00 0.30 N ATOM 2983 CA PHE B 45 10.992 5.638 -5.719 1.00 0.28 C ATOM 2984 C PHE B 45 12.267 5.322 -4.955 1.00 0.28 C ATOM 2985 O PHE B 45 12.212 4.948 -3.795 1.00 0.27 O ATOM 2986 CB PHE B 45 9.898 4.658 -5.276 1.00 0.31 C ATOM 2987 CG PHE B 45 8.688 4.630 -6.164 1.00 0.28 C ATOM 2988 CD1 PHE B 45 7.700 5.595 -6.058 1.00 1.17 C ATOM 2989 CD2 PHE B 45 8.533 3.621 -7.098 1.00 1.28 C ATOM 2990 CE1 PHE B 45 6.584 5.552 -6.871 1.00 1.18 C ATOM 2991 CE2 PHE B 45 7.421 3.569 -7.908 1.00 1.34 C ATOM 2992 CZ PHE B 45 6.444 4.535 -7.797 1.00 0.47 C ATOM 0 H PHE B 45 10.795 4.721 -7.588 1.00 0.30 H new ATOM 0 HA PHE B 45 10.693 6.662 -5.495 1.00 0.28 H new ATOM 0 HB2 PHE B 45 10.323 3.655 -5.231 1.00 0.31 H new ATOM 0 HB3 PHE B 45 9.584 4.917 -4.265 1.00 0.31 H new ATOM 0 HD1 PHE B 45 7.803 6.389 -5.333 1.00 1.17 H new ATOM 0 HD2 PHE B 45 9.296 2.863 -7.193 1.00 1.28 H new ATOM 0 HE1 PHE B 45 5.822 6.312 -6.783 1.00 1.18 H new ATOM 0 HE2 PHE B 45 7.314 2.772 -8.629 1.00 1.34 H new ATOM 0 HZ PHE B 45 5.571 4.497 -8.432 1.00 0.47 H new ATOM 3002 N LEU B 46 13.416 5.474 -5.586 1.00 0.32 N ATOM 3003 CA LEU B 46 14.666 5.319 -4.869 1.00 0.33 C ATOM 3004 C LEU B 46 15.251 6.692 -4.564 1.00 0.39 C ATOM 3005 O LEU B 46 16.016 6.856 -3.616 1.00 0.47 O ATOM 3006 CB LEU B 46 15.670 4.460 -5.652 1.00 0.35 C ATOM 3007 CG LEU B 46 15.135 3.109 -6.149 1.00 0.32 C ATOM 3008 CD1 LEU B 46 16.282 2.174 -6.495 1.00 0.41 C ATOM 3009 CD2 LEU B 46 14.198 2.471 -5.126 1.00 0.30 C ATOM 0 H LEU B 46 13.510 5.701 -6.576 1.00 0.32 H new ATOM 0 HA LEU B 46 14.462 4.797 -3.934 1.00 0.33 H new ATOM 0 HB2 LEU B 46 16.019 5.032 -6.512 1.00 0.35 H new ATOM 0 HB3 LEU B 46 16.538 4.277 -5.018 1.00 0.35 H new ATOM 0 HG LEU B 46 14.556 3.290 -7.055 1.00 0.32 H new ATOM 0 HD11 LEU B 46 15.883 1.222 -6.845 1.00 0.41 H new ATOM 0 HD12 LEU B 46 16.893 2.622 -7.279 1.00 0.41 H new ATOM 0 HD13 LEU B 46 16.895 2.007 -5.609 1.00 0.41 H new ATOM 0 HD21 LEU B 46 13.837 1.516 -5.509 1.00 0.30 H new ATOM 0 HD22 LEU B 46 14.736 2.308 -4.192 1.00 0.30 H new ATOM 0 HD23 LEU B 46 13.351 3.133 -4.946 1.00 0.30 H new ATOM 3021 N GLY B 47 14.861 7.678 -5.367 1.00 0.41 N ATOM 3022 CA GLY B 47 15.346 9.047 -5.218 1.00 0.49 C ATOM 3023 C GLY B 47 16.821 9.206 -5.540 1.00 0.53 C ATOM 3024 O GLY B 47 17.243 10.238 -6.058 1.00 0.60 O ATOM 0 H GLY B 47 14.203 7.552 -6.136 1.00 0.41 H new ATOM 0 HA2 GLY B 47 14.767 9.702 -5.870 1.00 0.49 H new ATOM 0 HA3 GLY B 47 15.168 9.378 -4.195 1.00 0.49 H new ATOM 3028 N LYS B 48 17.598 8.184 -5.238 1.00 0.54 N ATOM 3029 CA LYS B 48 19.000 8.137 -5.604 1.00 0.67 C ATOM 3030 C LYS B 48 19.334 6.766 -6.168 1.00 0.70 C ATOM 3031 O LYS B 48 19.397 6.584 -7.385 1.00 1.18 O ATOM 3032 CB LYS B 48 19.889 8.434 -4.395 1.00 0.82 C ATOM 3033 CG LYS B 48 19.805 9.870 -3.904 1.00 1.41 C ATOM 3034 CD LYS B 48 20.654 10.084 -2.663 1.00 2.04 C ATOM 3035 CE LYS B 48 22.103 9.684 -2.897 1.00 2.61 C ATOM 3036 NZ LYS B 48 22.951 9.970 -1.711 1.00 3.21 N ATOM 0 H LYS B 48 17.274 7.361 -4.731 1.00 0.54 H new ATOM 0 HA LYS B 48 19.187 8.899 -6.361 1.00 0.67 H new ATOM 0 HB2 LYS B 48 19.612 7.765 -3.580 1.00 0.82 H new ATOM 0 HB3 LYS B 48 20.924 8.209 -4.654 1.00 0.82 H new ATOM 0 HG2 LYS B 48 20.135 10.545 -4.693 1.00 1.41 H new ATOM 0 HG3 LYS B 48 18.767 10.120 -3.684 1.00 1.41 H new ATOM 0 HD2 LYS B 48 20.609 11.132 -2.368 1.00 2.04 H new ATOM 0 HD3 LYS B 48 20.245 9.502 -1.837 1.00 2.04 H new ATOM 0 HE2 LYS B 48 22.153 8.621 -3.132 1.00 2.61 H new ATOM 0 HE3 LYS B 48 22.494 10.221 -3.761 1.00 2.61 H new ATOM 0 HZ1 LYS B 48 23.931 9.684 -1.908 1.00 3.21 H new ATOM 0 HZ2 LYS B 48 22.923 10.988 -1.501 1.00 3.21 H new ATOM 0 HZ3 LYS B 48 22.593 9.438 -0.892 1.00 3.21 H new ATOM 3050 N ARG B 49 19.495 5.803 -5.268 1.00 0.54 N ATOM 3051 CA ARG B 49 19.852 4.435 -5.626 1.00 0.54 C ATOM 3052 C ARG B 49 20.041 3.611 -4.358 1.00 0.51 C ATOM 3053 O ARG B 49 20.442 4.144 -3.320 1.00 0.55 O ATOM 3054 CB ARG B 49 21.140 4.395 -6.460 1.00 0.66 C ATOM 3055 CG ARG B 49 21.500 3.004 -6.960 1.00 0.74 C ATOM 3056 CD ARG B 49 20.418 2.447 -7.871 1.00 0.73 C ATOM 3057 NE ARG B 49 20.661 1.047 -8.217 1.00 1.28 N ATOM 3058 CZ ARG B 49 20.511 0.544 -9.441 1.00 1.46 C ATOM 3059 NH1 ARG B 49 20.160 1.335 -10.449 1.00 1.43 N ATOM 3060 NH2 ARG B 49 20.721 -0.753 -9.656 1.00 2.26 N ATOM 0 H ARG B 49 19.381 5.950 -4.265 1.00 0.54 H new ATOM 0 HA ARG B 49 19.044 4.017 -6.227 1.00 0.54 H new ATOM 0 HB2 ARG B 49 21.030 5.062 -7.315 1.00 0.66 H new ATOM 0 HB3 ARG B 49 21.964 4.780 -5.859 1.00 0.66 H new ATOM 0 HG2 ARG B 49 22.447 3.043 -7.498 1.00 0.74 H new ATOM 0 HG3 ARG B 49 21.643 2.336 -6.111 1.00 0.74 H new ATOM 0 HD2 ARG B 49 19.449 2.536 -7.380 1.00 0.73 H new ATOM 0 HD3 ARG B 49 20.369 3.043 -8.783 1.00 0.73 H new ATOM 0 HE ARG B 49 20.964 0.417 -7.475 1.00 1.28 H new ATOM 0 HH11 ARG B 49 20.005 2.330 -10.286 1.00 1.43 H new ATOM 0 HH12 ARG B 49 20.046 0.947 -11.386 1.00 1.43 H new ATOM 0 HH21 ARG B 49 20.996 -1.360 -8.884 1.00 2.26 H new ATOM 0 HH22 ARG B 49 20.607 -1.140 -10.593 1.00 2.26 H new ATOM 3074 N THR B 50 19.736 2.326 -4.436 1.00 0.51 N ATOM 3075 CA THR B 50 19.901 1.432 -3.307 1.00 0.51 C ATOM 3076 C THR B 50 21.350 0.956 -3.179 1.00 0.61 C ATOM 3077 O THR B 50 21.778 0.041 -3.880 1.00 0.82 O ATOM 3078 CB THR B 50 18.957 0.228 -3.437 1.00 0.57 C ATOM 3079 OG1 THR B 50 18.943 -0.238 -4.795 1.00 0.69 O ATOM 3080 CG2 THR B 50 17.543 0.596 -3.010 1.00 0.57 C ATOM 0 H THR B 50 19.370 1.879 -5.277 1.00 0.51 H new ATOM 0 HA THR B 50 19.648 1.986 -2.403 1.00 0.51 H new ATOM 0 HB THR B 50 19.322 -0.563 -2.782 1.00 0.57 H new ATOM 0 HG1 THR B 50 19.864 -0.340 -5.115 1.00 0.69 H new ATOM 0 HG21 THR B 50 16.894 -0.274 -3.112 1.00 0.57 H new ATOM 0 HG22 THR B 50 17.551 0.924 -1.970 1.00 0.57 H new ATOM 0 HG23 THR B 50 17.170 1.402 -3.642 1.00 0.57 H new ATOM 3088 N ASP B 51 22.100 1.591 -2.284 1.00 0.58 N ATOM 3089 CA ASP B 51 23.503 1.240 -2.076 1.00 0.72 C ATOM 3090 C ASP B 51 23.644 0.249 -0.936 1.00 0.60 C ATOM 3091 O ASP B 51 22.693 0.010 -0.192 1.00 0.58 O ATOM 3092 CB ASP B 51 24.353 2.475 -1.759 1.00 0.91 C ATOM 3093 CG ASP B 51 24.405 3.473 -2.898 1.00 1.35 C ATOM 3094 OD1 ASP B 51 25.030 3.165 -3.936 1.00 1.98 O ATOM 3095 OD2 ASP B 51 23.836 4.575 -2.754 1.00 1.91 O ATOM 0 H ASP B 51 21.762 2.350 -1.692 1.00 0.58 H new ATOM 0 HA ASP B 51 23.859 0.793 -3.004 1.00 0.72 H new ATOM 0 HB2 ASP B 51 23.952 2.966 -0.872 1.00 0.91 H new ATOM 0 HB3 ASP B 51 25.367 2.157 -1.516 1.00 0.91 H new ATOM 3100 N GLU B 52 24.840 -0.300 -0.787 1.00 0.68 N ATOM 3101 CA GLU B 52 25.130 -1.271 0.260 1.00 0.66 C ATOM 3102 C GLU B 52 24.940 -0.676 1.654 1.00 0.55 C ATOM 3103 O GLU B 52 24.160 -1.191 2.459 1.00 0.50 O ATOM 3104 CB GLU B 52 26.561 -1.788 0.117 1.00 0.83 C ATOM 3105 CG GLU B 52 27.029 -2.584 1.319 1.00 1.57 C ATOM 3106 CD GLU B 52 28.450 -3.080 1.182 1.00 2.22 C ATOM 3107 OE1 GLU B 52 29.381 -2.316 1.495 1.00 2.89 O ATOM 3108 OE2 GLU B 52 28.637 -4.245 0.769 1.00 2.79 O ATOM 0 H GLU B 52 25.637 -0.086 -1.387 1.00 0.68 H new ATOM 0 HA GLU B 52 24.426 -2.095 0.145 1.00 0.66 H new ATOM 0 HB2 GLU B 52 26.628 -2.413 -0.773 1.00 0.83 H new ATOM 0 HB3 GLU B 52 27.233 -0.943 -0.036 1.00 0.83 H new ATOM 0 HG2 GLU B 52 26.951 -1.963 2.212 1.00 1.57 H new ATOM 0 HG3 GLU B 52 26.365 -3.436 1.464 1.00 1.57 H new ATOM 3115 N ALA B 53 25.659 0.407 1.934 1.00 0.58 N ATOM 3116 CA ALA B 53 25.635 1.032 3.254 1.00 0.58 C ATOM 3117 C ALA B 53 24.284 1.671 3.547 1.00 0.53 C ATOM 3118 O ALA B 53 23.985 2.024 4.685 1.00 0.58 O ATOM 3119 CB ALA B 53 26.740 2.064 3.368 1.00 0.70 C ATOM 0 H ALA B 53 26.268 0.872 1.261 1.00 0.58 H new ATOM 0 HA ALA B 53 25.800 0.249 3.994 1.00 0.58 H new ATOM 0 HB1 ALA B 53 26.710 2.522 4.357 1.00 0.70 H new ATOM 0 HB2 ALA B 53 27.706 1.581 3.221 1.00 0.70 H new ATOM 0 HB3 ALA B 53 26.600 2.833 2.608 1.00 0.70 H new ATOM 3125 N ALA B 54 23.480 1.833 2.514 1.00 0.52 N ATOM 3126 CA ALA B 54 22.138 2.357 2.676 1.00 0.51 C ATOM 3127 C ALA B 54 21.146 1.228 2.897 1.00 0.39 C ATOM 3128 O ALA B 54 20.192 1.364 3.659 1.00 0.35 O ATOM 3129 CB ALA B 54 21.739 3.157 1.459 1.00 0.63 C ATOM 0 H ALA B 54 23.734 1.609 1.552 1.00 0.52 H new ATOM 0 HA ALA B 54 22.128 3.008 3.550 1.00 0.51 H new ATOM 0 HB1 ALA B 54 20.729 3.545 1.594 1.00 0.63 H new ATOM 0 HB2 ALA B 54 22.432 3.988 1.326 1.00 0.63 H new ATOM 0 HB3 ALA B 54 21.767 2.517 0.577 1.00 0.63 H new ATOM 3135 N PHE B 55 21.374 0.113 2.220 1.00 0.38 N ATOM 3136 CA PHE B 55 20.450 -1.011 2.268 1.00 0.32 C ATOM 3137 C PHE B 55 20.470 -1.708 3.623 1.00 0.31 C ATOM 3138 O PHE B 55 19.465 -2.294 4.036 1.00 0.31 O ATOM 3139 CB PHE B 55 20.752 -2.015 1.163 1.00 0.41 C ATOM 3140 CG PHE B 55 19.504 -2.567 0.554 1.00 0.36 C ATOM 3141 CD1 PHE B 55 18.747 -3.508 1.228 1.00 1.25 C ATOM 3142 CD2 PHE B 55 19.072 -2.114 -0.676 1.00 1.23 C ATOM 3143 CE1 PHE B 55 17.580 -3.994 0.677 1.00 1.22 C ATOM 3144 CE2 PHE B 55 17.905 -2.592 -1.229 1.00 1.30 C ATOM 3145 CZ PHE B 55 17.158 -3.536 -0.554 1.00 0.46 C ATOM 0 H PHE B 55 22.192 -0.038 1.630 1.00 0.38 H new ATOM 0 HA PHE B 55 19.451 -0.604 2.114 1.00 0.32 H new ATOM 0 HB2 PHE B 55 21.351 -1.534 0.390 1.00 0.41 H new ATOM 0 HB3 PHE B 55 21.350 -2.831 1.568 1.00 0.41 H new ATOM 0 HD1 PHE B 55 19.073 -3.865 2.194 1.00 1.25 H new ATOM 0 HD2 PHE B 55 19.655 -1.378 -1.210 1.00 1.23 H new ATOM 0 HE1 PHE B 55 16.997 -4.732 1.208 1.00 1.22 H new ATOM 0 HE2 PHE B 55 17.574 -2.228 -2.191 1.00 1.30 H new ATOM 0 HZ PHE B 55 16.245 -3.915 -0.989 1.00 0.46 H new ATOM 3155 N GLN B 56 21.600 -1.637 4.317 1.00 0.35 N ATOM 3156 CA GLN B 56 21.683 -2.159 5.677 1.00 0.41 C ATOM 3157 C GLN B 56 20.704 -1.406 6.577 1.00 0.42 C ATOM 3158 O GLN B 56 20.229 -1.926 7.587 1.00 0.52 O ATOM 3159 CB GLN B 56 23.110 -2.035 6.220 1.00 0.51 C ATOM 3160 CG GLN B 56 23.662 -0.623 6.165 1.00 0.53 C ATOM 3161 CD GLN B 56 24.989 -0.485 6.876 1.00 0.69 C ATOM 3162 OE1 GLN B 56 26.054 -0.675 6.285 1.00 1.15 O ATOM 3163 NE2 GLN B 56 24.934 -0.141 8.150 1.00 1.53 N ATOM 0 H GLN B 56 22.465 -1.227 3.965 1.00 0.35 H new ATOM 0 HA GLN B 56 21.417 -3.216 5.664 1.00 0.41 H new ATOM 0 HB2 GLN B 56 23.128 -2.383 7.253 1.00 0.51 H new ATOM 0 HB3 GLN B 56 23.765 -2.694 5.650 1.00 0.51 H new ATOM 0 HG2 GLN B 56 23.780 -0.324 5.123 1.00 0.53 H new ATOM 0 HG3 GLN B 56 22.942 0.062 6.613 1.00 0.53 H new ATOM 0 HE21 GLN B 56 24.031 0.006 8.600 1.00 1.53 H new ATOM 0 HE22 GLN B 56 25.795 -0.023 8.684 1.00 1.53 H new ATOM 3172 N LYS B 57 20.400 -0.180 6.180 1.00 0.36 N ATOM 3173 CA LYS B 57 19.425 0.641 6.871 1.00 0.39 C ATOM 3174 C LYS B 57 18.034 0.366 6.315 1.00 0.34 C ATOM 3175 O LYS B 57 17.040 0.437 7.032 1.00 0.41 O ATOM 3176 CB LYS B 57 19.772 2.120 6.686 1.00 0.44 C ATOM 3177 CG LYS B 57 21.177 2.473 7.138 1.00 0.54 C ATOM 3178 CD LYS B 57 21.618 3.815 6.582 1.00 0.61 C ATOM 3179 CE LYS B 57 22.999 4.200 7.087 1.00 0.79 C ATOM 3180 NZ LYS B 57 23.423 5.537 6.596 1.00 1.27 N ATOM 0 H LYS B 57 20.824 0.271 5.369 1.00 0.36 H new ATOM 0 HA LYS B 57 19.441 0.399 7.934 1.00 0.39 H new ATOM 0 HB2 LYS B 57 19.661 2.382 5.634 1.00 0.44 H new ATOM 0 HB3 LYS B 57 19.057 2.725 7.243 1.00 0.44 H new ATOM 0 HG2 LYS B 57 21.215 2.499 8.227 1.00 0.54 H new ATOM 0 HG3 LYS B 57 21.871 1.697 6.813 1.00 0.54 H new ATOM 0 HD2 LYS B 57 21.626 3.774 5.493 1.00 0.61 H new ATOM 0 HD3 LYS B 57 20.898 4.582 6.867 1.00 0.61 H new ATOM 0 HE2 LYS B 57 22.999 4.198 8.177 1.00 0.79 H new ATOM 0 HE3 LYS B 57 23.723 3.451 6.767 1.00 0.79 H new ATOM 0 HZ1 LYS B 57 24.340 5.787 7.019 1.00 1.27 H new ATOM 0 HZ2 LYS B 57 23.514 5.514 5.560 1.00 1.27 H new ATOM 0 HZ3 LYS B 57 22.712 6.247 6.865 1.00 1.27 H new ATOM 3194 N LEU B 58 17.981 0.031 5.028 1.00 0.27 N ATOM 3195 CA LEU B 58 16.720 -0.172 4.334 1.00 0.25 C ATOM 3196 C LEU B 58 15.963 -1.371 4.885 1.00 0.24 C ATOM 3197 O LEU B 58 14.838 -1.227 5.353 1.00 0.26 O ATOM 3198 CB LEU B 58 16.939 -0.354 2.832 1.00 0.22 C ATOM 3199 CG LEU B 58 15.645 -0.430 2.025 1.00 0.22 C ATOM 3200 CD1 LEU B 58 14.882 0.862 2.149 1.00 0.26 C ATOM 3201 CD2 LEU B 58 15.918 -0.714 0.566 1.00 0.23 C ATOM 0 H LEU B 58 18.806 -0.106 4.444 1.00 0.27 H new ATOM 0 HA LEU B 58 16.121 0.723 4.501 1.00 0.25 H new ATOM 0 HB2 LEU B 58 17.541 0.475 2.459 1.00 0.22 H new ATOM 0 HB3 LEU B 58 17.514 -1.265 2.666 1.00 0.22 H new ATOM 0 HG LEU B 58 15.051 -1.250 2.429 1.00 0.22 H new ATOM 0 HD11 LEU B 58 13.961 0.798 1.570 1.00 0.26 H new ATOM 0 HD12 LEU B 58 14.640 1.043 3.196 1.00 0.26 H new ATOM 0 HD13 LEU B 58 15.492 1.682 1.771 1.00 0.26 H new ATOM 0 HD21 LEU B 58 14.975 -0.761 0.022 1.00 0.23 H new ATOM 0 HD22 LEU B 58 16.537 0.081 0.150 1.00 0.23 H new ATOM 0 HD23 LEU B 58 16.439 -1.667 0.472 1.00 0.23 H new ATOM 3213 N MET B 59 16.578 -2.547 4.822 1.00 0.24 N ATOM 3214 CA MET B 59 15.948 -3.768 5.330 1.00 0.27 C ATOM 3215 C MET B 59 15.441 -3.579 6.757 1.00 0.34 C ATOM 3216 O MET B 59 14.317 -3.941 7.074 1.00 0.41 O ATOM 3217 CB MET B 59 16.923 -4.949 5.273 1.00 0.28 C ATOM 3218 CG MET B 59 16.480 -6.158 6.094 1.00 0.30 C ATOM 3219 SD MET B 59 14.801 -6.699 5.721 1.00 0.31 S ATOM 3220 CE MET B 59 14.976 -7.194 4.017 1.00 0.25 C ATOM 0 H MET B 59 17.508 -2.684 4.427 1.00 0.24 H new ATOM 0 HA MET B 59 15.094 -3.985 4.689 1.00 0.27 H new ATOM 0 HB2 MET B 59 17.048 -5.254 4.234 1.00 0.28 H new ATOM 0 HB3 MET B 59 17.899 -4.619 5.628 1.00 0.28 H new ATOM 0 HG2 MET B 59 17.169 -6.983 5.913 1.00 0.30 H new ATOM 0 HG3 MET B 59 16.548 -5.913 7.154 1.00 0.30 H new ATOM 0 HE1 MET B 59 14.068 -7.700 3.690 1.00 0.25 H new ATOM 0 HE2 MET B 59 15.144 -6.313 3.398 1.00 0.25 H new ATOM 0 HE3 MET B 59 15.824 -7.872 3.920 1.00 0.25 H new ATOM 3230 N SER B 60 16.261 -2.974 7.600 1.00 0.39 N ATOM 3231 CA SER B 60 15.904 -2.780 8.997 1.00 0.51 C ATOM 3232 C SER B 60 14.741 -1.787 9.132 1.00 0.44 C ATOM 3233 O SER B 60 14.061 -1.742 10.159 1.00 0.51 O ATOM 3234 CB SER B 60 17.135 -2.301 9.769 1.00 0.70 C ATOM 3235 OG SER B 60 16.931 -2.367 11.172 1.00 1.36 O ATOM 0 H SER B 60 17.178 -2.609 7.343 1.00 0.39 H new ATOM 0 HA SER B 60 15.569 -3.728 9.419 1.00 0.51 H new ATOM 0 HB2 SER B 60 17.996 -2.912 9.497 1.00 0.70 H new ATOM 0 HB3 SER B 60 17.368 -1.275 9.483 1.00 0.70 H new ATOM 0 HG SER B 60 17.737 -2.056 11.635 1.00 1.36 H new ATOM 3241 N ASN B 61 14.496 -1.016 8.080 1.00 0.37 N ATOM 3242 CA ASN B 61 13.407 -0.049 8.066 1.00 0.42 C ATOM 3243 C ASN B 61 12.142 -0.685 7.518 1.00 0.44 C ATOM 3244 O ASN B 61 11.056 -0.124 7.631 1.00 0.64 O ATOM 3245 CB ASN B 61 13.799 1.184 7.255 1.00 0.46 C ATOM 3246 CG ASN B 61 14.636 2.157 8.067 1.00 0.47 C ATOM 3247 OD1 ASN B 61 15.261 1.783 9.060 1.00 0.96 O ATOM 3248 ND2 ASN B 61 14.662 3.408 7.648 1.00 0.92 N ATOM 0 H ASN B 61 15.042 -1.043 7.219 1.00 0.37 H new ATOM 0 HA ASN B 61 13.208 0.270 9.089 1.00 0.42 H new ATOM 0 HB2 ASN B 61 14.358 0.874 6.372 1.00 0.46 H new ATOM 0 HB3 ASN B 61 12.899 1.687 6.902 1.00 0.46 H new ATOM 0 HD21 ASN B 61 15.213 4.103 8.151 1.00 0.92 H new ATOM 0 HD22 ASN B 61 14.131 3.680 6.821 1.00 0.92 H new ATOM 3255 N LEU B 62 12.290 -1.869 6.934 1.00 0.33 N ATOM 3256 CA LEU B 62 11.147 -2.626 6.453 1.00 0.39 C ATOM 3257 C LEU B 62 11.017 -3.930 7.215 1.00 0.54 C ATOM 3258 O LEU B 62 10.258 -4.803 6.825 1.00 1.18 O ATOM 3259 CB LEU B 62 11.267 -2.934 4.957 1.00 0.35 C ATOM 3260 CG LEU B 62 10.961 -1.779 4.010 1.00 0.25 C ATOM 3261 CD1 LEU B 62 9.682 -1.070 4.424 1.00 0.24 C ATOM 3262 CD2 LEU B 62 12.125 -0.812 3.935 1.00 0.22 C ATOM 0 H LEU B 62 13.191 -2.323 6.784 1.00 0.33 H new ATOM 0 HA LEU B 62 10.261 -2.012 6.615 1.00 0.39 H new ATOM 0 HB2 LEU B 62 12.281 -3.282 4.758 1.00 0.35 H new ATOM 0 HB3 LEU B 62 10.595 -3.759 4.721 1.00 0.35 H new ATOM 0 HG LEU B 62 10.810 -2.190 3.012 1.00 0.25 H new ATOM 0 HD11 LEU B 62 9.482 -0.249 3.735 1.00 0.24 H new ATOM 0 HD12 LEU B 62 8.851 -1.775 4.400 1.00 0.24 H new ATOM 0 HD13 LEU B 62 9.795 -0.677 5.434 1.00 0.24 H new ATOM 0 HD21 LEU B 62 11.879 0.001 3.253 1.00 0.22 H new ATOM 0 HD22 LEU B 62 12.325 -0.406 4.927 1.00 0.22 H new ATOM 0 HD23 LEU B 62 13.010 -1.335 3.572 1.00 0.22 H new ATOM 3274 N ASP B 63 11.759 -4.069 8.294 1.00 0.31 N ATOM 3275 CA ASP B 63 11.714 -5.295 9.074 1.00 0.33 C ATOM 3276 C ASP B 63 11.735 -4.986 10.560 1.00 0.37 C ATOM 3277 O ASP B 63 12.770 -4.624 11.123 1.00 0.43 O ATOM 3278 CB ASP B 63 12.881 -6.211 8.695 1.00 0.40 C ATOM 3279 CG ASP B 63 12.855 -7.539 9.426 1.00 0.38 C ATOM 3280 OD1 ASP B 63 11.814 -7.877 10.028 1.00 1.15 O ATOM 3281 OD2 ASP B 63 13.888 -8.245 9.409 1.00 1.08 O ATOM 0 H ASP B 63 12.396 -3.357 8.651 1.00 0.31 H new ATOM 0 HA ASP B 63 10.782 -5.813 8.849 1.00 0.33 H new ATOM 0 HB2 ASP B 63 12.858 -6.394 7.621 1.00 0.40 H new ATOM 0 HB3 ASP B 63 13.820 -5.702 8.912 1.00 0.40 H new ATOM 3286 N SER B 64 10.577 -5.115 11.189 1.00 0.43 N ATOM 3287 CA SER B 64 10.445 -4.874 12.616 1.00 0.52 C ATOM 3288 C SER B 64 10.794 -6.129 13.410 1.00 0.58 C ATOM 3289 O SER B 64 10.859 -6.102 14.638 1.00 0.71 O ATOM 3290 CB SER B 64 9.024 -4.418 12.944 1.00 0.67 C ATOM 3291 OG SER B 64 8.691 -3.242 12.224 1.00 1.14 O ATOM 0 H SER B 64 9.709 -5.388 10.728 1.00 0.43 H new ATOM 0 HA SER B 64 11.143 -4.085 12.898 1.00 0.52 H new ATOM 0 HB2 SER B 64 8.318 -5.211 12.699 1.00 0.67 H new ATOM 0 HB3 SER B 64 8.936 -4.231 14.014 1.00 0.67 H new ATOM 0 HG SER B 64 8.005 -3.451 11.556 1.00 1.14 H new ATOM 3297 N ASN B 65 11.017 -7.227 12.703 1.00 0.60 N ATOM 3298 CA ASN B 65 11.403 -8.475 13.345 1.00 0.75 C ATOM 3299 C ASN B 65 12.923 -8.583 13.359 1.00 0.76 C ATOM 3300 O ASN B 65 13.508 -9.302 14.170 1.00 0.91 O ATOM 3301 CB ASN B 65 10.783 -9.666 12.604 1.00 0.89 C ATOM 3302 CG ASN B 65 11.025 -10.988 13.307 1.00 1.52 C ATOM 3303 OD1 ASN B 65 11.136 -11.047 14.532 1.00 1.87 O ATOM 3304 ND2 ASN B 65 11.094 -12.063 12.537 1.00 2.34 N ATOM 0 H ASN B 65 10.938 -7.279 11.687 1.00 0.60 H new ATOM 0 HA ASN B 65 11.035 -8.486 14.371 1.00 0.75 H new ATOM 0 HB2 ASN B 65 9.710 -9.505 12.502 1.00 0.89 H new ATOM 0 HB3 ASN B 65 11.195 -9.715 11.596 1.00 0.89 H new ATOM 0 HD21 ASN B 65 11.244 -12.981 12.955 1.00 2.34 H new ATOM 0 HD22 ASN B 65 10.997 -11.973 11.526 1.00 2.34 H new ATOM 3311 N ARG B 66 13.547 -7.831 12.453 1.00 0.68 N ATOM 3312 CA ARG B 66 15.001 -7.735 12.358 1.00 0.81 C ATOM 3313 C ARG B 66 15.624 -9.111 12.145 1.00 0.88 C ATOM 3314 O ARG B 66 16.529 -9.519 12.877 1.00 1.11 O ATOM 3315 CB ARG B 66 15.581 -7.066 13.608 1.00 1.04 C ATOM 3316 CG ARG B 66 14.959 -5.711 13.908 1.00 1.10 C ATOM 3317 CD ARG B 66 15.600 -5.055 15.118 1.00 1.39 C ATOM 3318 NE ARG B 66 14.873 -3.856 15.534 1.00 2.08 N ATOM 3319 CZ ARG B 66 15.458 -2.721 15.916 1.00 2.77 C ATOM 3320 NH1 ARG B 66 16.778 -2.608 15.874 1.00 2.86 N ATOM 3321 NH2 ARG B 66 14.718 -1.694 16.312 1.00 3.79 N ATOM 0 H ARG B 66 13.053 -7.268 11.760 1.00 0.68 H new ATOM 0 HA ARG B 66 15.244 -7.116 11.494 1.00 0.81 H new ATOM 0 HB2 ARG B 66 15.434 -7.723 14.465 1.00 1.04 H new ATOM 0 HB3 ARG B 66 16.657 -6.944 13.481 1.00 1.04 H new ATOM 0 HG2 ARG B 66 15.068 -5.060 13.040 1.00 1.10 H new ATOM 0 HG3 ARG B 66 13.890 -5.832 14.083 1.00 1.10 H new ATOM 0 HD2 ARG B 66 15.631 -5.766 15.943 1.00 1.39 H new ATOM 0 HD3 ARG B 66 16.632 -4.792 14.885 1.00 1.39 H new ATOM 0 HE ARG B 66 13.854 -3.891 15.532 1.00 2.08 H new ATOM 0 HH11 ARG B 66 17.347 -3.390 15.549 1.00 2.86 H new ATOM 0 HH12 ARG B 66 17.225 -1.739 16.166 1.00 2.86 H new ATOM 0 HH21 ARG B 66 13.701 -1.773 16.324 1.00 3.79 H new ATOM 0 HH22 ARG B 66 15.166 -0.825 16.604 1.00 3.79 H new ATOM 3335 N ASP B 67 15.142 -9.820 11.132 1.00 0.75 N ATOM 3336 CA ASP B 67 15.626 -11.164 10.848 1.00 0.88 C ATOM 3337 C ASP B 67 16.522 -11.165 9.613 1.00 0.77 C ATOM 3338 O ASP B 67 17.603 -11.754 9.649 1.00 0.96 O ATOM 3339 CB ASP B 67 14.443 -12.114 10.642 1.00 1.00 C ATOM 3340 CG ASP B 67 14.864 -13.568 10.520 1.00 1.39 C ATOM 3341 OD1 ASP B 67 14.992 -14.241 11.565 1.00 1.95 O ATOM 3342 OD2 ASP B 67 15.039 -14.052 9.384 1.00 1.93 O ATOM 0 H ASP B 67 14.418 -9.487 10.495 1.00 0.75 H new ATOM 0 HA ASP B 67 16.214 -11.507 11.699 1.00 0.88 H new ATOM 0 HB2 ASP B 67 13.751 -12.011 11.478 1.00 1.00 H new ATOM 0 HB3 ASP B 67 13.902 -11.822 9.742 1.00 1.00 H new ATOM 3347 N ASN B 68 16.080 -10.441 8.563 1.00 0.62 N ATOM 3348 CA ASN B 68 16.813 -10.287 7.278 1.00 0.55 C ATOM 3349 C ASN B 68 15.830 -10.204 6.120 1.00 0.43 C ATOM 3350 O ASN B 68 16.191 -9.855 4.998 1.00 0.57 O ATOM 3351 CB ASN B 68 17.768 -11.445 6.981 1.00 0.77 C ATOM 3352 CG ASN B 68 18.675 -11.174 5.792 1.00 1.30 C ATOM 3353 OD1 ASN B 68 19.021 -10.029 5.510 1.00 1.41 O ATOM 3354 ND2 ASN B 68 19.067 -12.224 5.085 1.00 2.22 N ATOM 0 H ASN B 68 15.193 -9.938 8.579 1.00 0.62 H new ATOM 0 HA ASN B 68 17.397 -9.373 7.382 1.00 0.55 H new ATOM 0 HB2 ASN B 68 18.380 -11.639 7.862 1.00 0.77 H new ATOM 0 HB3 ASN B 68 17.188 -12.348 6.791 1.00 0.77 H new ATOM 0 HD21 ASN B 68 19.676 -12.096 4.277 1.00 2.22 H new ATOM 0 HD22 ASN B 68 18.760 -13.160 5.349 1.00 2.22 H new ATOM 3361 N GLU B 69 14.587 -10.509 6.412 1.00 0.42 N ATOM 3362 CA GLU B 69 13.583 -10.720 5.389 1.00 0.42 C ATOM 3363 C GLU B 69 12.267 -10.060 5.769 1.00 0.39 C ATOM 3364 O GLU B 69 11.817 -10.146 6.912 1.00 0.54 O ATOM 3365 CB GLU B 69 13.392 -12.224 5.161 1.00 0.60 C ATOM 3366 CG GLU B 69 13.310 -13.026 6.453 1.00 1.04 C ATOM 3367 CD GLU B 69 13.340 -14.522 6.224 1.00 1.44 C ATOM 3368 OE1 GLU B 69 14.335 -15.030 5.664 1.00 2.09 O ATOM 3369 OE2 GLU B 69 12.374 -15.207 6.614 1.00 1.84 O ATOM 0 H GLU B 69 14.241 -10.618 7.365 1.00 0.42 H new ATOM 0 HA GLU B 69 13.924 -10.259 4.462 1.00 0.42 H new ATOM 0 HB2 GLU B 69 12.481 -12.384 4.584 1.00 0.60 H new ATOM 0 HB3 GLU B 69 14.220 -12.601 4.560 1.00 0.60 H new ATOM 0 HG2 GLU B 69 14.141 -12.747 7.101 1.00 1.04 H new ATOM 0 HG3 GLU B 69 12.393 -12.763 6.980 1.00 1.04 H new ATOM 3376 N VAL B 70 11.668 -9.397 4.798 1.00 0.28 N ATOM 3377 CA VAL B 70 10.425 -8.675 4.992 1.00 0.25 C ATOM 3378 C VAL B 70 9.220 -9.584 4.788 1.00 0.25 C ATOM 3379 O VAL B 70 9.064 -10.200 3.733 1.00 0.33 O ATOM 3380 CB VAL B 70 10.354 -7.463 4.040 1.00 0.26 C ATOM 3381 CG1 VAL B 70 8.932 -6.973 3.861 1.00 0.29 C ATOM 3382 CG2 VAL B 70 11.208 -6.351 4.585 1.00 0.30 C ATOM 0 H VAL B 70 12.032 -9.344 3.847 1.00 0.28 H new ATOM 0 HA VAL B 70 10.402 -8.316 6.021 1.00 0.25 H new ATOM 0 HB VAL B 70 10.723 -7.777 3.064 1.00 0.26 H new ATOM 0 HG11 VAL B 70 8.924 -6.119 3.184 1.00 0.29 H new ATOM 0 HG12 VAL B 70 8.321 -7.773 3.443 1.00 0.29 H new ATOM 0 HG13 VAL B 70 8.526 -6.674 4.827 1.00 0.29 H new ATOM 0 HG21 VAL B 70 11.160 -5.493 3.914 1.00 0.30 H new ATOM 0 HG22 VAL B 70 10.843 -6.062 5.571 1.00 0.30 H new ATOM 0 HG23 VAL B 70 12.240 -6.691 4.665 1.00 0.30 H new ATOM 3392 N ASP B 71 8.379 -9.660 5.813 1.00 0.25 N ATOM 3393 CA ASP B 71 7.184 -10.493 5.779 1.00 0.29 C ATOM 3394 C ASP B 71 6.030 -9.726 5.119 1.00 0.22 C ATOM 3395 O ASP B 71 6.220 -8.602 4.658 1.00 0.21 O ATOM 3396 CB ASP B 71 6.815 -10.930 7.202 1.00 0.42 C ATOM 3397 CG ASP B 71 5.909 -12.147 7.235 1.00 1.18 C ATOM 3398 OD1 ASP B 71 4.673 -11.975 7.215 1.00 2.06 O ATOM 3399 OD2 ASP B 71 6.428 -13.282 7.286 1.00 1.72 O ATOM 0 H ASP B 71 8.506 -9.149 6.686 1.00 0.25 H new ATOM 0 HA ASP B 71 7.380 -11.387 5.187 1.00 0.29 H new ATOM 0 HB2 ASP B 71 7.728 -11.149 7.757 1.00 0.42 H new ATOM 0 HB3 ASP B 71 6.322 -10.103 7.713 1.00 0.42 H new ATOM 3404 N PHE B 72 4.836 -10.313 5.100 1.00 0.21 N ATOM 3405 CA PHE B 72 3.735 -9.808 4.279 1.00 0.19 C ATOM 3406 C PHE B 72 3.291 -8.392 4.674 1.00 0.15 C ATOM 3407 O PHE B 72 3.264 -7.500 3.824 1.00 0.14 O ATOM 3408 CB PHE B 72 2.537 -10.761 4.335 1.00 0.21 C ATOM 3409 CG PHE B 72 1.783 -10.860 3.032 1.00 0.20 C ATOM 3410 CD1 PHE B 72 1.945 -9.906 2.035 1.00 1.19 C ATOM 3411 CD2 PHE B 72 0.923 -11.920 2.799 1.00 1.18 C ATOM 3412 CE1 PHE B 72 1.265 -10.010 0.835 1.00 1.20 C ATOM 3413 CE2 PHE B 72 0.243 -12.031 1.604 1.00 1.20 C ATOM 3414 CZ PHE B 72 0.414 -11.074 0.619 1.00 0.32 C ATOM 0 H PHE B 72 4.604 -11.143 5.646 1.00 0.21 H new ATOM 0 HA PHE B 72 4.115 -9.754 3.259 1.00 0.19 H new ATOM 0 HB2 PHE B 72 2.886 -11.754 4.620 1.00 0.21 H new ATOM 0 HB3 PHE B 72 1.854 -10.427 5.116 1.00 0.21 H new ATOM 0 HD1 PHE B 72 2.611 -9.072 2.199 1.00 1.19 H new ATOM 0 HD2 PHE B 72 0.783 -12.670 3.563 1.00 1.18 H new ATOM 0 HE1 PHE B 72 1.400 -9.260 0.069 1.00 1.20 H new ATOM 0 HE2 PHE B 72 -0.423 -12.865 1.437 1.00 1.20 H new ATOM 0 HZ PHE B 72 -0.118 -11.160 -0.317 1.00 0.32 H new ATOM 3424 N GLN B 73 2.940 -8.170 5.943 1.00 0.15 N ATOM 3425 CA GLN B 73 2.422 -6.861 6.345 1.00 0.14 C ATOM 3426 C GLN B 73 3.515 -5.809 6.240 1.00 0.12 C ATOM 3427 O GLN B 73 3.249 -4.687 5.813 1.00 0.13 O ATOM 3428 CB GLN B 73 1.820 -6.860 7.762 1.00 0.16 C ATOM 3429 CG GLN B 73 0.900 -5.672 8.016 1.00 0.26 C ATOM 3430 CD GLN B 73 0.363 -5.622 9.436 1.00 0.22 C ATOM 3431 OE1 GLN B 73 -0.748 -5.152 9.671 1.00 0.68 O ATOM 3432 NE2 GLN B 73 1.152 -6.082 10.393 1.00 0.60 N ATOM 0 H GLN B 73 3.002 -8.860 6.692 1.00 0.15 H new ATOM 0 HA GLN B 73 1.610 -6.621 5.658 1.00 0.14 H new ATOM 0 HB2 GLN B 73 1.262 -7.784 7.915 1.00 0.16 H new ATOM 0 HB3 GLN B 73 2.627 -6.851 8.494 1.00 0.16 H new ATOM 0 HG2 GLN B 73 1.442 -4.750 7.807 1.00 0.26 H new ATOM 0 HG3 GLN B 73 0.063 -5.714 7.319 1.00 0.26 H new ATOM 0 HE21 GLN B 73 2.068 -6.465 10.159 1.00 0.60 H new ATOM 0 HE22 GLN B 73 0.844 -6.054 11.365 1.00 0.60 H new ATOM 3441 N GLU B 74 4.754 -6.182 6.574 1.00 0.14 N ATOM 3442 CA GLU B 74 5.857 -5.240 6.522 1.00 0.17 C ATOM 3443 C GLU B 74 6.192 -4.922 5.068 1.00 0.14 C ATOM 3444 O GLU B 74 6.694 -3.847 4.754 1.00 0.16 O ATOM 3445 CB GLU B 74 7.083 -5.794 7.239 1.00 0.27 C ATOM 3446 CG GLU B 74 7.776 -4.771 8.129 1.00 0.38 C ATOM 3447 CD GLU B 74 7.126 -4.631 9.488 1.00 0.43 C ATOM 3448 OE1 GLU B 74 6.626 -5.646 10.016 1.00 1.10 O ATOM 3449 OE2 GLU B 74 7.151 -3.521 10.058 1.00 1.21 O ATOM 0 H GLU B 74 5.009 -7.121 6.879 1.00 0.14 H new ATOM 0 HA GLU B 74 5.556 -4.324 7.031 1.00 0.17 H new ATOM 0 HB2 GLU B 74 6.785 -6.649 7.845 1.00 0.27 H new ATOM 0 HB3 GLU B 74 7.793 -6.161 6.498 1.00 0.27 H new ATOM 0 HG2 GLU B 74 8.819 -5.059 8.260 1.00 0.38 H new ATOM 0 HG3 GLU B 74 7.773 -3.802 7.630 1.00 0.38 H new ATOM 3456 N TYR B 75 5.898 -5.868 4.183 1.00 0.14 N ATOM 3457 CA TYR B 75 6.076 -5.662 2.754 1.00 0.14 C ATOM 3458 C TYR B 75 5.054 -4.668 2.238 1.00 0.11 C ATOM 3459 O TYR B 75 5.345 -3.847 1.373 1.00 0.13 O ATOM 3460 CB TYR B 75 5.944 -6.986 1.988 1.00 0.16 C ATOM 3461 CG TYR B 75 6.035 -6.834 0.486 1.00 0.17 C ATOM 3462 CD1 TYR B 75 4.905 -6.571 -0.285 1.00 1.19 C ATOM 3463 CD2 TYR B 75 7.256 -6.941 -0.159 1.00 1.21 C ATOM 3464 CE1 TYR B 75 4.996 -6.420 -1.656 1.00 1.20 C ATOM 3465 CE2 TYR B 75 7.352 -6.787 -1.530 1.00 1.22 C ATOM 3466 CZ TYR B 75 6.220 -6.527 -2.271 1.00 0.22 C ATOM 3467 OH TYR B 75 6.312 -6.376 -3.636 1.00 0.26 O ATOM 0 H TYR B 75 5.534 -6.787 4.433 1.00 0.14 H new ATOM 0 HA TYR B 75 7.079 -5.266 2.591 1.00 0.14 H new ATOM 0 HB2 TYR B 75 6.726 -7.668 2.323 1.00 0.16 H new ATOM 0 HB3 TYR B 75 4.989 -7.447 2.240 1.00 0.16 H new ATOM 0 HD1 TYR B 75 3.942 -6.484 0.196 1.00 1.19 H new ATOM 0 HD2 TYR B 75 8.146 -7.148 0.417 1.00 1.21 H new ATOM 0 HE1 TYR B 75 4.110 -6.219 -2.240 1.00 1.20 H new ATOM 0 HE2 TYR B 75 8.312 -6.870 -2.018 1.00 1.22 H new ATOM 0 HH TYR B 75 5.477 -6.673 -4.055 1.00 0.26 H new ATOM 3477 N CYS B 76 3.853 -4.740 2.770 1.00 0.11 N ATOM 3478 CA CYS B 76 2.784 -3.903 2.292 1.00 0.12 C ATOM 3479 C CYS B 76 2.826 -2.527 2.943 1.00 0.12 C ATOM 3480 O CYS B 76 2.567 -1.526 2.278 1.00 0.13 O ATOM 3481 CB CYS B 76 1.442 -4.587 2.526 1.00 0.14 C ATOM 3482 SG CYS B 76 1.342 -6.254 1.834 1.00 0.22 S ATOM 0 H CYS B 76 3.597 -5.369 3.531 1.00 0.11 H new ATOM 0 HA CYS B 76 2.913 -3.754 1.220 1.00 0.12 H new ATOM 0 HB2 CYS B 76 1.252 -4.637 3.598 1.00 0.14 H new ATOM 0 HB3 CYS B 76 0.652 -3.975 2.091 1.00 0.14 H new ATOM 0 HG CYS B 76 2.106 -7.054 2.517 1.00 0.22 H new ATOM 3488 N VAL B 77 3.157 -2.461 4.230 1.00 0.13 N ATOM 3489 CA VAL B 77 3.369 -1.168 4.873 1.00 0.14 C ATOM 3490 C VAL B 77 4.520 -0.470 4.179 1.00 0.14 C ATOM 3491 O VAL B 77 4.502 0.733 4.006 1.00 0.19 O ATOM 3492 CB VAL B 77 3.645 -1.285 6.390 1.00 0.16 C ATOM 3493 CG1 VAL B 77 4.814 -2.197 6.633 1.00 0.14 C ATOM 3494 CG2 VAL B 77 3.912 0.074 7.031 1.00 0.20 C ATOM 0 H VAL B 77 3.282 -3.270 4.838 1.00 0.13 H new ATOM 0 HA VAL B 77 2.451 -0.588 4.778 1.00 0.14 H new ATOM 0 HB VAL B 77 2.749 -1.700 6.852 1.00 0.16 H new ATOM 0 HG11 VAL B 77 5.000 -2.273 7.704 1.00 0.14 H new ATOM 0 HG12 VAL B 77 4.593 -3.186 6.232 1.00 0.14 H new ATOM 0 HG13 VAL B 77 5.698 -1.795 6.139 1.00 0.14 H new ATOM 0 HG21 VAL B 77 4.101 -0.057 8.097 1.00 0.20 H new ATOM 0 HG22 VAL B 77 4.783 0.533 6.562 1.00 0.20 H new ATOM 0 HG23 VAL B 77 3.044 0.718 6.893 1.00 0.20 H new ATOM 3504 N PHE B 78 5.502 -1.258 3.758 1.00 0.11 N ATOM 3505 CA PHE B 78 6.560 -0.784 2.881 1.00 0.11 C ATOM 3506 C PHE B 78 5.968 -0.003 1.720 1.00 0.11 C ATOM 3507 O PHE B 78 6.348 1.137 1.455 1.00 0.11 O ATOM 3508 CB PHE B 78 7.341 -1.987 2.351 1.00 0.12 C ATOM 3509 CG PHE B 78 8.131 -1.711 1.110 1.00 0.12 C ATOM 3510 CD1 PHE B 78 9.397 -1.182 1.200 1.00 1.17 C ATOM 3511 CD2 PHE B 78 7.602 -1.991 -0.145 1.00 1.18 C ATOM 3512 CE1 PHE B 78 10.138 -0.932 0.064 1.00 1.18 C ATOM 3513 CE2 PHE B 78 8.331 -1.741 -1.287 1.00 1.18 C ATOM 3514 CZ PHE B 78 9.605 -1.212 -1.182 1.00 0.15 C ATOM 0 H PHE B 78 5.585 -2.241 4.016 1.00 0.11 H new ATOM 0 HA PHE B 78 7.227 -0.126 3.439 1.00 0.11 H new ATOM 0 HB2 PHE B 78 8.020 -2.336 3.129 1.00 0.12 H new ATOM 0 HB3 PHE B 78 6.642 -2.799 2.150 1.00 0.12 H new ATOM 0 HD1 PHE B 78 9.816 -0.960 2.171 1.00 1.17 H new ATOM 0 HD2 PHE B 78 6.609 -2.409 -0.225 1.00 1.18 H new ATOM 0 HE1 PHE B 78 11.132 -0.519 0.147 1.00 1.18 H new ATOM 0 HE2 PHE B 78 7.911 -1.957 -2.258 1.00 1.18 H new ATOM 0 HZ PHE B 78 10.184 -1.017 -2.073 1.00 0.15 H new ATOM 3524 N LEU B 79 5.021 -0.635 1.046 1.00 0.14 N ATOM 3525 CA LEU B 79 4.363 -0.044 -0.097 1.00 0.16 C ATOM 3526 C LEU B 79 3.647 1.233 0.272 1.00 0.17 C ATOM 3527 O LEU B 79 3.814 2.266 -0.375 1.00 0.20 O ATOM 3528 CB LEU B 79 3.364 -1.023 -0.692 1.00 0.15 C ATOM 3529 CG LEU B 79 3.955 -2.032 -1.659 1.00 0.15 C ATOM 3530 CD1 LEU B 79 3.726 -3.441 -1.168 1.00 0.19 C ATOM 3531 CD2 LEU B 79 3.330 -1.837 -3.012 1.00 0.14 C ATOM 0 H LEU B 79 4.690 -1.571 1.279 1.00 0.14 H new ATOM 0 HA LEU B 79 5.134 0.192 -0.831 1.00 0.16 H new ATOM 0 HB2 LEU B 79 2.878 -1.563 0.121 1.00 0.15 H new ATOM 0 HB3 LEU B 79 2.588 -0.458 -1.209 1.00 0.15 H new ATOM 0 HG LEU B 79 5.031 -1.876 -1.729 1.00 0.15 H new ATOM 0 HD11 LEU B 79 4.158 -4.148 -1.877 1.00 0.19 H new ATOM 0 HD12 LEU B 79 4.199 -3.568 -0.194 1.00 0.19 H new ATOM 0 HD13 LEU B 79 2.655 -3.626 -1.078 1.00 0.19 H new ATOM 0 HD21 LEU B 79 3.749 -2.558 -3.714 1.00 0.14 H new ATOM 0 HD22 LEU B 79 2.252 -1.985 -2.940 1.00 0.14 H new ATOM 0 HD23 LEU B 79 3.535 -0.826 -3.365 1.00 0.14 H new ATOM 3543 N SER B 80 2.866 1.176 1.326 1.00 0.19 N ATOM 3544 CA SER B 80 2.064 2.306 1.709 1.00 0.21 C ATOM 3545 C SER B 80 2.948 3.401 2.266 1.00 0.20 C ATOM 3546 O SER B 80 2.611 4.571 2.209 1.00 0.24 O ATOM 3547 CB SER B 80 1.011 1.860 2.705 1.00 0.22 C ATOM 3548 OG SER B 80 1.542 0.935 3.633 1.00 0.18 O ATOM 0 H SER B 80 2.772 0.359 1.930 1.00 0.19 H new ATOM 0 HA SER B 80 1.551 2.715 0.839 1.00 0.21 H new ATOM 0 HB2 SER B 80 0.619 2.727 3.236 1.00 0.22 H new ATOM 0 HB3 SER B 80 0.174 1.406 2.174 1.00 0.22 H new ATOM 0 HG SER B 80 0.826 0.349 3.957 1.00 0.18 H new ATOM 3554 N CYS B 81 4.099 3.011 2.762 1.00 0.17 N ATOM 3555 CA CYS B 81 5.090 3.953 3.221 1.00 0.18 C ATOM 3556 C CYS B 81 5.821 4.593 2.059 1.00 0.33 C ATOM 3557 O CYS B 81 6.511 5.583 2.241 1.00 0.72 O ATOM 3558 CB CYS B 81 6.063 3.284 4.170 1.00 0.30 C ATOM 3559 SG CYS B 81 5.288 2.798 5.723 1.00 1.83 S ATOM 0 H CYS B 81 4.373 2.033 2.858 1.00 0.17 H new ATOM 0 HA CYS B 81 4.574 4.746 3.762 1.00 0.18 H new ATOM 0 HB2 CYS B 81 6.488 2.403 3.688 1.00 0.30 H new ATOM 0 HB3 CYS B 81 6.889 3.964 4.377 1.00 0.30 H new ATOM 0 HG CYS B 81 4.566 1.734 5.533 1.00 1.83 H new ATOM 3565 N ILE B 82 5.701 4.010 0.875 1.00 0.17 N ATOM 3566 CA ILE B 82 6.153 4.688 -0.325 1.00 0.19 C ATOM 3567 C ILE B 82 5.066 5.631 -0.807 1.00 0.21 C ATOM 3568 O ILE B 82 5.275 6.834 -0.912 1.00 0.28 O ATOM 3569 CB ILE B 82 6.525 3.730 -1.480 1.00 0.19 C ATOM 3570 CG1 ILE B 82 7.649 2.783 -1.059 1.00 0.24 C ATOM 3571 CG2 ILE B 82 6.941 4.542 -2.702 1.00 0.24 C ATOM 3572 CD1 ILE B 82 8.518 2.323 -2.213 1.00 0.41 C ATOM 0 H ILE B 82 5.301 3.084 0.723 1.00 0.17 H new ATOM 0 HA ILE B 82 7.061 5.225 -0.051 1.00 0.19 H new ATOM 0 HB ILE B 82 5.654 3.125 -1.731 1.00 0.19 H new ATOM 0 HG12 ILE B 82 8.275 3.282 -0.320 1.00 0.24 H new ATOM 0 HG13 ILE B 82 7.214 1.910 -0.572 1.00 0.24 H new ATOM 0 HG21 ILE B 82 7.203 3.866 -3.516 1.00 0.24 H new ATOM 0 HG22 ILE B 82 6.114 5.181 -3.013 1.00 0.24 H new ATOM 0 HG23 ILE B 82 7.803 5.160 -2.452 1.00 0.24 H new ATOM 0 HD11 ILE B 82 9.294 1.654 -1.840 1.00 0.41 H new ATOM 0 HD12 ILE B 82 7.904 1.795 -2.943 1.00 0.41 H new ATOM 0 HD13 ILE B 82 8.982 3.188 -2.687 1.00 0.41 H new ATOM 3584 N ALA B 83 3.892 5.075 -1.064 1.00 0.26 N ATOM 3585 CA ALA B 83 2.782 5.841 -1.611 1.00 0.32 C ATOM 3586 C ALA B 83 2.362 6.971 -0.678 1.00 0.32 C ATOM 3587 O ALA B 83 2.202 8.108 -1.109 1.00 0.35 O ATOM 3588 CB ALA B 83 1.615 4.926 -1.895 1.00 0.42 C ATOM 0 H ALA B 83 3.682 4.090 -0.901 1.00 0.26 H new ATOM 0 HA ALA B 83 3.115 6.297 -2.543 1.00 0.32 H new ATOM 0 HB1 ALA B 83 0.788 5.507 -2.304 1.00 0.42 H new ATOM 0 HB2 ALA B 83 1.916 4.166 -2.616 1.00 0.42 H new ATOM 0 HB3 ALA B 83 1.297 4.444 -0.970 1.00 0.42 H new ATOM 3594 N MET B 84 2.200 6.666 0.602 1.00 0.33 N ATOM 3595 CA MET B 84 1.824 7.680 1.582 1.00 0.36 C ATOM 3596 C MET B 84 2.971 8.642 1.822 1.00 0.36 C ATOM 3597 O MET B 84 2.771 9.768 2.266 1.00 0.48 O ATOM 3598 CB MET B 84 1.381 7.032 2.882 1.00 0.38 C ATOM 3599 CG MET B 84 1.108 8.003 4.013 1.00 0.44 C ATOM 3600 SD MET B 84 1.039 7.142 5.585 1.00 0.38 S ATOM 3601 CE MET B 84 2.397 6.012 5.314 1.00 0.22 C ATOM 0 H MET B 84 2.322 5.729 0.987 1.00 0.33 H new ATOM 0 HA MET B 84 0.983 8.247 1.183 1.00 0.36 H new ATOM 0 HB2 MET B 84 0.478 6.452 2.693 1.00 0.38 H new ATOM 0 HB3 MET B 84 2.150 6.329 3.202 1.00 0.38 H new ATOM 0 HG2 MET B 84 1.889 8.763 4.043 1.00 0.44 H new ATOM 0 HG3 MET B 84 0.166 8.521 3.835 1.00 0.44 H new ATOM 0 HE1 MET B 84 2.800 5.690 6.274 1.00 0.22 H new ATOM 0 HE2 MET B 84 2.042 5.143 4.760 1.00 0.22 H new ATOM 0 HE3 MET B 84 3.178 6.513 4.742 1.00 0.22 H new ATOM 3611 N MET B 85 4.175 8.203 1.510 1.00 0.28 N ATOM 3612 CA MET B 85 5.319 9.084 1.556 1.00 0.29 C ATOM 3613 C MET B 85 5.242 10.080 0.399 1.00 0.34 C ATOM 3614 O MET B 85 5.742 11.199 0.491 1.00 0.48 O ATOM 3615 CB MET B 85 6.599 8.285 1.478 1.00 0.28 C ATOM 3616 CG MET B 85 7.815 9.096 1.859 1.00 0.32 C ATOM 3617 SD MET B 85 9.293 8.611 0.948 1.00 0.29 S ATOM 3618 CE MET B 85 9.383 6.898 1.437 1.00 0.25 C ATOM 0 H MET B 85 4.383 7.246 1.224 1.00 0.28 H new ATOM 0 HA MET B 85 5.313 9.631 2.499 1.00 0.29 H new ATOM 0 HB2 MET B 85 6.523 7.420 2.136 1.00 0.28 H new ATOM 0 HB3 MET B 85 6.724 7.904 0.464 1.00 0.28 H new ATOM 0 HG2 MET B 85 7.613 10.152 1.679 1.00 0.32 H new ATOM 0 HG3 MET B 85 8.000 8.985 2.927 1.00 0.32 H new ATOM 0 HE1 MET B 85 10.421 6.630 1.634 1.00 0.25 H new ATOM 0 HE2 MET B 85 8.792 6.746 2.340 1.00 0.25 H new ATOM 0 HE3 MET B 85 8.991 6.270 0.637 1.00 0.25 H new ATOM 3628 N CYS B 86 4.576 9.660 -0.683 1.00 0.31 N ATOM 3629 CA CYS B 86 4.384 10.501 -1.862 1.00 0.34 C ATOM 3630 C CYS B 86 3.430 11.644 -1.557 1.00 0.39 C ATOM 3631 O CYS B 86 3.377 12.617 -2.297 1.00 0.46 O ATOM 3632 CB CYS B 86 3.798 9.697 -3.033 1.00 0.39 C ATOM 3633 SG CYS B 86 4.648 8.148 -3.409 1.00 0.94 S ATOM 0 H CYS B 86 4.159 8.733 -0.762 1.00 0.31 H new ATOM 0 HA CYS B 86 5.365 10.889 -2.137 1.00 0.34 H new ATOM 0 HB2 CYS B 86 2.754 9.475 -2.813 1.00 0.39 H new ATOM 0 HB3 CYS B 86 3.810 10.324 -3.924 1.00 0.39 H new ATOM 0 HG CYS B 86 4.831 7.476 -2.311 1.00 0.94 H new ATOM 3639 N ASN B 87 2.671 11.494 -0.473 1.00 0.45 N ATOM 3640 CA ASN B 87 1.618 12.440 -0.086 1.00 0.58 C ATOM 3641 C ASN B 87 2.023 13.896 -0.319 1.00 0.68 C ATOM 3642 O ASN B 87 1.409 14.595 -1.122 1.00 0.89 O ATOM 3643 CB ASN B 87 1.252 12.233 1.385 1.00 0.72 C ATOM 3644 CG ASN B 87 0.080 13.086 1.830 1.00 1.10 C ATOM 3645 OD1 ASN B 87 -0.001 13.480 2.990 1.00 1.72 O ATOM 3646 ND2 ASN B 87 -0.844 13.359 0.919 1.00 1.77 N ATOM 0 H ASN B 87 2.768 10.707 0.169 1.00 0.45 H new ATOM 0 HA ASN B 87 0.754 12.240 -0.720 1.00 0.58 H new ATOM 0 HB2 ASN B 87 1.013 11.182 1.550 1.00 0.72 H new ATOM 0 HB3 ASN B 87 2.118 12.464 2.005 1.00 0.72 H new ATOM 0 HD21 ASN B 87 -1.660 13.916 1.172 1.00 1.77 H new ATOM 0 HD22 ASN B 87 -0.738 13.012 -0.034 1.00 1.77 H new ATOM 3653 N GLU B 88 3.073 14.334 0.355 1.00 0.70 N ATOM 3654 CA GLU B 88 3.518 15.723 0.269 1.00 0.89 C ATOM 3655 C GLU B 88 3.982 16.084 -1.142 1.00 0.86 C ATOM 3656 O GLU B 88 3.844 17.226 -1.579 1.00 1.06 O ATOM 3657 CB GLU B 88 4.667 15.958 1.239 1.00 1.03 C ATOM 3658 CG GLU B 88 4.348 15.595 2.674 1.00 1.51 C ATOM 3659 CD GLU B 88 5.572 15.688 3.558 1.00 1.72 C ATOM 3660 OE1 GLU B 88 6.641 16.093 3.051 1.00 1.98 O ATOM 3661 OE2 GLU B 88 5.483 15.333 4.750 1.00 2.33 O ATOM 0 H GLU B 88 3.638 13.749 0.971 1.00 0.70 H new ATOM 0 HA GLU B 88 2.667 16.355 0.525 1.00 0.89 H new ATOM 0 HB2 GLU B 88 5.529 15.377 0.912 1.00 1.03 H new ATOM 0 HB3 GLU B 88 4.955 17.008 1.197 1.00 1.03 H new ATOM 0 HG2 GLU B 88 3.573 16.260 3.054 1.00 1.51 H new ATOM 0 HG3 GLU B 88 3.947 14.582 2.713 1.00 1.51 H new ATOM 3668 N PHE B 89 4.528 15.105 -1.843 1.00 0.69 N ATOM 3669 CA PHE B 89 5.134 15.330 -3.148 1.00 0.71 C ATOM 3670 C PHE B 89 4.080 15.381 -4.248 1.00 0.73 C ATOM 3671 O PHE B 89 4.020 16.331 -5.028 1.00 0.88 O ATOM 3672 CB PHE B 89 6.136 14.210 -3.458 1.00 0.69 C ATOM 3673 CG PHE B 89 7.268 14.107 -2.475 1.00 0.91 C ATOM 3674 CD1 PHE B 89 8.422 14.854 -2.643 1.00 1.53 C ATOM 3675 CD2 PHE B 89 7.180 13.257 -1.384 1.00 1.65 C ATOM 3676 CE1 PHE B 89 9.467 14.755 -1.745 1.00 1.89 C ATOM 3677 CE2 PHE B 89 8.222 13.155 -0.481 1.00 1.99 C ATOM 3678 CZ PHE B 89 9.366 13.906 -0.661 1.00 1.81 C ATOM 0 H PHE B 89 4.565 14.136 -1.527 1.00 0.69 H new ATOM 0 HA PHE B 89 5.647 16.291 -3.117 1.00 0.71 H new ATOM 0 HB2 PHE B 89 5.604 13.259 -3.484 1.00 0.69 H new ATOM 0 HB3 PHE B 89 6.548 14.372 -4.454 1.00 0.69 H new ATOM 0 HD1 PHE B 89 8.506 15.523 -3.487 1.00 1.53 H new ATOM 0 HD2 PHE B 89 6.287 12.667 -1.237 1.00 1.65 H new ATOM 0 HE1 PHE B 89 10.362 15.341 -1.891 1.00 1.89 H new ATOM 0 HE2 PHE B 89 8.141 12.488 0.365 1.00 1.99 H new ATOM 0 HZ PHE B 89 10.180 13.830 0.044 1.00 1.81 H new ATOM 3688 N PHE B 90 3.242 14.357 -4.284 1.00 0.63 N ATOM 3689 CA PHE B 90 2.316 14.143 -5.377 1.00 0.66 C ATOM 3690 C PHE B 90 1.226 15.214 -5.428 1.00 0.69 C ATOM 3691 O PHE B 90 0.859 15.683 -6.506 1.00 0.83 O ATOM 3692 CB PHE B 90 1.705 12.741 -5.241 1.00 0.69 C ATOM 3693 CG PHE B 90 0.365 12.702 -4.550 1.00 0.95 C ATOM 3694 CD1 PHE B 90 0.284 12.574 -3.174 1.00 1.79 C ATOM 3695 CD2 PHE B 90 -0.812 12.794 -5.278 1.00 1.44 C ATOM 3696 CE1 PHE B 90 -0.941 12.539 -2.535 1.00 2.09 C ATOM 3697 CE2 PHE B 90 -2.038 12.759 -4.644 1.00 1.68 C ATOM 3698 CZ PHE B 90 -2.104 12.632 -3.272 1.00 1.67 C ATOM 0 H PHE B 90 3.187 13.650 -3.551 1.00 0.63 H new ATOM 0 HA PHE B 90 2.863 14.218 -6.317 1.00 0.66 H new ATOM 0 HB2 PHE B 90 1.598 12.308 -6.236 1.00 0.69 H new ATOM 0 HB3 PHE B 90 2.401 12.108 -4.691 1.00 0.69 H new ATOM 0 HD1 PHE B 90 1.191 12.500 -2.592 1.00 1.79 H new ATOM 0 HD2 PHE B 90 -0.769 12.894 -6.352 1.00 1.44 H new ATOM 0 HE1 PHE B 90 -0.988 12.439 -1.461 1.00 2.09 H new ATOM 0 HE2 PHE B 90 -2.947 12.831 -5.223 1.00 1.68 H new ATOM 0 HZ PHE B 90 -3.063 12.605 -2.776 1.00 1.67 H new ATOM 3708 N GLU B 91 0.701 15.597 -4.268 1.00 0.70 N ATOM 3709 CA GLU B 91 -0.414 16.531 -4.224 1.00 0.83 C ATOM 3710 C GLU B 91 0.097 17.964 -4.117 1.00 1.01 C ATOM 3711 O GLU B 91 -0.623 18.913 -4.432 1.00 1.21 O ATOM 3712 CB GLU B 91 -1.358 16.192 -3.071 1.00 0.95 C ATOM 3713 CG GLU B 91 -0.817 16.541 -1.696 1.00 1.64 C ATOM 3714 CD GLU B 91 -1.900 16.554 -0.639 1.00 2.04 C ATOM 3715 OE1 GLU B 91 -2.182 15.497 -0.051 1.00 2.62 O ATOM 3716 OE2 GLU B 91 -2.471 17.637 -0.390 1.00 2.45 O ATOM 0 H GLU B 91 1.027 15.278 -3.356 1.00 0.70 H new ATOM 0 HA GLU B 91 -0.979 16.442 -5.152 1.00 0.83 H new ATOM 0 HB2 GLU B 91 -2.300 16.719 -3.222 1.00 0.95 H new ATOM 0 HB3 GLU B 91 -1.580 15.125 -3.101 1.00 0.95 H new ATOM 0 HG2 GLU B 91 -0.048 15.820 -1.417 1.00 1.64 H new ATOM 0 HG3 GLU B 91 -0.338 17.519 -1.734 1.00 1.64 H new ATOM 3723 N GLY B 92 1.347 18.101 -3.672 1.00 1.09 N ATOM 3724 CA GLY B 92 2.009 19.397 -3.633 1.00 1.36 C ATOM 3725 C GLY B 92 1.249 20.458 -2.854 1.00 1.53 C ATOM 3726 O GLY B 92 1.167 21.608 -3.291 1.00 1.90 O ATOM 0 H GLY B 92 1.918 17.327 -3.334 1.00 1.09 H new ATOM 0 HA2 GLY B 92 2.998 19.275 -3.191 1.00 1.36 H new ATOM 0 HA3 GLY B 92 2.158 19.748 -4.654 1.00 1.36 H new ATOM 3730 N PHE B 93 0.691 20.092 -1.710 1.00 1.50 N ATOM 3731 CA PHE B 93 -0.044 21.048 -0.901 1.00 1.82 C ATOM 3732 C PHE B 93 0.750 21.376 0.353 1.00 1.98 C ATOM 3733 O PHE B 93 1.031 20.497 1.174 1.00 2.12 O ATOM 3734 CB PHE B 93 -1.422 20.502 -0.529 1.00 2.19 C ATOM 3735 CG PHE B 93 -2.451 21.577 -0.305 1.00 2.75 C ATOM 3736 CD1 PHE B 93 -2.502 22.273 0.891 1.00 3.14 C ATOM 3737 CD2 PHE B 93 -3.368 21.888 -1.295 1.00 3.37 C ATOM 3738 CE1 PHE B 93 -3.447 23.260 1.093 1.00 3.73 C ATOM 3739 CE2 PHE B 93 -4.315 22.874 -1.099 1.00 3.97 C ATOM 3740 CZ PHE B 93 -4.354 23.561 0.098 1.00 4.00 C ATOM 0 H PHE B 93 0.733 19.148 -1.325 1.00 1.50 H new ATOM 0 HA PHE B 93 -0.188 21.958 -1.483 1.00 1.82 H new ATOM 0 HB2 PHE B 93 -1.768 19.838 -1.322 1.00 2.19 H new ATOM 0 HB3 PHE B 93 -1.334 19.900 0.375 1.00 2.19 H new ATOM 0 HD1 PHE B 93 -1.795 22.042 1.674 1.00 3.14 H new ATOM 0 HD2 PHE B 93 -3.342 21.353 -2.233 1.00 3.37 H new ATOM 0 HE1 PHE B 93 -3.476 23.796 2.030 1.00 3.73 H new ATOM 0 HE2 PHE B 93 -5.023 23.107 -1.880 1.00 3.97 H new ATOM 0 HZ PHE B 93 -5.093 24.333 0.255 1.00 4.00 H new ATOM 3750 N PRO B 94 1.131 22.648 0.518 1.00 2.52 N ATOM 3751 CA PRO B 94 1.980 23.084 1.625 1.00 3.07 C ATOM 3752 C PRO B 94 1.222 23.241 2.934 1.00 3.02 C ATOM 3753 O PRO B 94 1.322 24.264 3.614 1.00 3.41 O ATOM 3754 CB PRO B 94 2.510 24.429 1.139 1.00 3.84 C ATOM 3755 CG PRO B 94 1.437 24.961 0.256 1.00 3.90 C ATOM 3756 CD PRO B 94 0.773 23.765 -0.375 1.00 3.08 C ATOM 0 HA PRO B 94 2.757 22.355 1.854 1.00 3.07 H new ATOM 0 HB2 PRO B 94 2.706 25.102 1.973 1.00 3.84 H new ATOM 0 HB3 PRO B 94 3.448 24.312 0.596 1.00 3.84 H new ATOM 0 HG2 PRO B 94 0.718 25.547 0.828 1.00 3.90 H new ATOM 0 HG3 PRO B 94 1.852 25.621 -0.505 1.00 3.90 H new ATOM 0 HD2 PRO B 94 -0.307 23.895 -0.438 1.00 3.08 H new ATOM 0 HD3 PRO B 94 1.134 23.597 -1.390 1.00 3.08 H new ATOM 3764 N ASP B 95 0.484 22.212 3.289 1.00 2.85 N ATOM 3765 CA ASP B 95 -0.235 22.189 4.555 1.00 3.20 C ATOM 3766 C ASP B 95 0.270 21.032 5.403 1.00 3.38 C ATOM 3767 O ASP B 95 0.200 21.068 6.629 1.00 3.79 O ATOM 3768 CB ASP B 95 -1.751 22.067 4.342 1.00 3.91 C ATOM 3769 CG ASP B 95 -2.218 20.632 4.165 1.00 4.67 C ATOM 3770 OD1 ASP B 95 -1.935 20.033 3.110 1.00 5.19 O ATOM 3771 OD2 ASP B 95 -2.880 20.102 5.084 1.00 5.10 O ATOM 0 H ASP B 95 0.363 21.374 2.720 1.00 2.85 H new ATOM 0 HA ASP B 95 -0.051 23.132 5.070 1.00 3.20 H new ATOM 0 HB2 ASP B 95 -2.268 22.508 5.195 1.00 3.91 H new ATOM 0 HB3 ASP B 95 -2.035 22.646 3.463 1.00 3.91 H new ATOM 3776 N LYS B 96 0.792 20.012 4.734 1.00 3.54 N ATOM 3777 CA LYS B 96 1.308 18.829 5.407 1.00 4.45 C ATOM 3778 C LYS B 96 2.811 18.935 5.586 1.00 4.54 C ATOM 3779 O LYS B 96 3.438 18.090 6.226 1.00 4.98 O ATOM 3780 CB LYS B 96 0.962 17.586 4.591 1.00 5.36 C ATOM 3781 CG LYS B 96 -0.520 17.462 4.300 1.00 6.28 C ATOM 3782 CD LYS B 96 -0.802 16.390 3.269 1.00 7.13 C ATOM 3783 CE LYS B 96 -2.279 16.331 2.930 1.00 7.93 C ATOM 3784 NZ LYS B 96 -2.755 17.581 2.279 1.00 8.39 N ATOM 0 H LYS B 96 0.869 19.982 3.717 1.00 3.54 H new ATOM 0 HA LYS B 96 0.849 18.752 6.393 1.00 4.45 H new ATOM 0 HB2 LYS B 96 1.511 17.612 3.649 1.00 5.36 H new ATOM 0 HB3 LYS B 96 1.296 16.700 5.130 1.00 5.36 H new ATOM 0 HG2 LYS B 96 -1.053 17.229 5.222 1.00 6.28 H new ATOM 0 HG3 LYS B 96 -0.902 18.419 3.944 1.00 6.28 H new ATOM 0 HD2 LYS B 96 -0.226 16.590 2.365 1.00 7.13 H new ATOM 0 HD3 LYS B 96 -0.474 15.422 3.648 1.00 7.13 H new ATOM 0 HE2 LYS B 96 -2.465 15.485 2.268 1.00 7.93 H new ATOM 0 HE3 LYS B 96 -2.853 16.156 3.840 1.00 7.93 H new ATOM 0 HZ1 LYS B 96 -3.765 17.490 2.050 1.00 8.39 H new ATOM 0 HZ2 LYS B 96 -2.618 18.383 2.926 1.00 8.39 H new ATOM 0 HZ3 LYS B 96 -2.215 17.745 1.405 1.00 8.39 H new ATOM 3798 N GLN B 97 3.367 19.987 5.014 1.00 4.59 N ATOM 3799 CA GLN B 97 4.797 20.252 5.081 1.00 5.12 C ATOM 3800 C GLN B 97 5.103 21.630 4.498 1.00 5.38 C ATOM 3801 O GLN B 97 5.607 21.745 3.380 1.00 5.51 O ATOM 3802 CB GLN B 97 5.586 19.164 4.335 1.00 5.83 C ATOM 3803 CG GLN B 97 7.103 19.340 4.347 1.00 6.21 C ATOM 3804 CD GLN B 97 7.727 19.227 5.728 1.00 6.95 C ATOM 3805 OE1 GLN B 97 7.126 19.588 6.738 1.00 7.21 O ATOM 3806 NE2 GLN B 97 8.948 18.718 5.777 1.00 7.59 N ATOM 0 H GLN B 97 2.841 20.685 4.488 1.00 4.59 H new ATOM 0 HA GLN B 97 5.105 20.238 6.127 1.00 5.12 H new ATOM 0 HB2 GLN B 97 5.345 18.196 4.775 1.00 5.83 H new ATOM 0 HB3 GLN B 97 5.247 19.137 3.299 1.00 5.83 H new ATOM 0 HG2 GLN B 97 7.551 18.590 3.695 1.00 6.21 H new ATOM 0 HG3 GLN B 97 7.349 20.315 3.927 1.00 6.21 H new ATOM 0 HE21 GLN B 97 9.415 18.429 4.917 1.00 7.59 H new ATOM 0 HE22 GLN B 97 9.422 18.614 6.674 1.00 7.59 H new ATOM 3815 N PRO B 98 4.755 22.701 5.229 1.00 5.81 N ATOM 3816 CA PRO B 98 5.080 24.063 4.827 1.00 6.41 C ATOM 3817 C PRO B 98 6.556 24.343 5.060 1.00 6.44 C ATOM 3818 O PRO B 98 6.958 24.769 6.143 1.00 6.84 O ATOM 3819 CB PRO B 98 4.207 24.946 5.734 1.00 7.08 C ATOM 3820 CG PRO B 98 3.323 24.006 6.493 1.00 6.87 C ATOM 3821 CD PRO B 98 4.026 22.679 6.500 1.00 6.10 C ATOM 0 HA PRO B 98 4.893 24.246 3.769 1.00 6.41 H new ATOM 0 HB2 PRO B 98 4.822 25.538 6.412 1.00 7.08 H new ATOM 0 HB3 PRO B 98 3.617 25.648 5.145 1.00 7.08 H new ATOM 0 HG2 PRO B 98 3.157 24.363 7.509 1.00 6.87 H new ATOM 0 HG3 PRO B 98 2.344 23.925 6.020 1.00 6.87 H new ATOM 0 HD2 PRO B 98 4.698 22.580 7.352 1.00 6.10 H new ATOM 0 HD3 PRO B 98 3.323 21.847 6.551 1.00 6.10 H new ATOM 3829 N ARG B 99 7.363 24.060 4.051 1.00 6.34 N ATOM 3830 CA ARG B 99 8.808 24.123 4.190 1.00 6.64 C ATOM 3831 C ARG B 99 9.462 23.994 2.824 1.00 6.40 C ATOM 3832 O ARG B 99 9.891 24.984 2.236 1.00 6.77 O ATOM 3833 CB ARG B 99 9.274 23.001 5.121 1.00 6.94 C ATOM 3834 CG ARG B 99 10.751 23.026 5.457 1.00 7.54 C ATOM 3835 CD ARG B 99 11.076 21.938 6.461 1.00 7.94 C ATOM 3836 NE ARG B 99 12.491 21.889 6.805 1.00 8.46 N ATOM 3837 CZ ARG B 99 12.982 21.123 7.776 1.00 8.94 C ATOM 3838 NH1 ARG B 99 12.162 20.405 8.537 1.00 8.99 N ATOM 3839 NH2 ARG B 99 14.288 21.080 7.989 1.00 9.56 N ATOM 0 H ARG B 99 7.040 23.783 3.124 1.00 6.34 H new ATOM 0 HA ARG B 99 9.097 25.082 4.620 1.00 6.64 H new ATOM 0 HB2 ARG B 99 8.704 23.057 6.048 1.00 6.94 H new ATOM 0 HB3 ARG B 99 9.037 22.043 4.659 1.00 6.94 H new ATOM 0 HG2 ARG B 99 11.340 22.883 4.551 1.00 7.54 H new ATOM 0 HG3 ARG B 99 11.023 24.000 5.864 1.00 7.54 H new ATOM 0 HD2 ARG B 99 10.492 22.100 7.367 1.00 7.94 H new ATOM 0 HD3 ARG B 99 10.772 20.973 6.055 1.00 7.94 H new ATOM 0 HE ARG B 99 13.138 22.472 6.274 1.00 8.46 H new ATOM 0 HH11 ARG B 99 11.155 20.441 8.377 1.00 8.99 H new ATOM 0 HH12 ARG B 99 12.540 19.818 9.281 1.00 8.99 H new ATOM 0 HH21 ARG B 99 14.918 21.634 7.409 1.00 9.56 H new ATOM 0 HH22 ARG B 99 14.664 20.493 8.733 1.00 9.56 H new ATOM 3853 N LYS B 100 9.521 22.770 2.316 1.00 6.04 N ATOM 3854 CA LYS B 100 10.011 22.532 0.967 1.00 5.97 C ATOM 3855 C LYS B 100 8.856 22.603 -0.014 1.00 5.32 C ATOM 3856 O LYS B 100 9.038 22.900 -1.192 1.00 5.54 O ATOM 3857 CB LYS B 100 10.718 21.181 0.873 1.00 6.71 C ATOM 3858 CG LYS B 100 12.078 21.170 1.549 1.00 7.02 C ATOM 3859 CD LYS B 100 12.762 19.825 1.409 1.00 7.50 C ATOM 3860 CE LYS B 100 14.172 19.850 1.979 1.00 8.06 C ATOM 3861 NZ LYS B 100 14.195 20.278 3.405 1.00 8.50 N ATOM 0 H LYS B 100 9.236 21.929 2.818 1.00 6.04 H new ATOM 0 HA LYS B 100 10.739 23.304 0.716 1.00 5.97 H new ATOM 0 HB2 LYS B 100 10.088 20.416 1.326 1.00 6.71 H new ATOM 0 HB3 LYS B 100 10.839 20.914 -0.177 1.00 6.71 H new ATOM 0 HG2 LYS B 100 12.708 21.946 1.113 1.00 7.02 H new ATOM 0 HG3 LYS B 100 11.961 21.411 2.606 1.00 7.02 H new ATOM 0 HD2 LYS B 100 12.175 19.063 1.922 1.00 7.50 H new ATOM 0 HD3 LYS B 100 12.800 19.543 0.357 1.00 7.50 H new ATOM 0 HE2 LYS B 100 14.615 18.858 1.892 1.00 8.06 H new ATOM 0 HE3 LYS B 100 14.789 20.527 1.388 1.00 8.06 H new ATOM 0 HZ1 LYS B 100 15.149 20.135 3.795 1.00 8.50 H new ATOM 0 HZ2 LYS B 100 13.942 21.285 3.469 1.00 8.50 H new ATOM 0 HZ3 LYS B 100 13.511 19.713 3.948 1.00 8.50 H new ATOM 3875 N LYS B 101 7.663 22.324 0.486 1.00 4.83 N ATOM 3876 CA LYS B 101 6.455 22.495 -0.291 1.00 4.42 C ATOM 3877 C LYS B 101 5.880 23.868 0.013 1.00 4.87 C ATOM 3878 O LYS B 101 5.797 24.705 -0.909 1.00 5.44 O ATOM 3879 CB LYS B 101 5.420 21.405 0.022 1.00 3.91 C ATOM 3880 CG LYS B 101 5.841 19.998 -0.386 1.00 3.27 C ATOM 3881 CD LYS B 101 6.787 19.365 0.624 1.00 3.64 C ATOM 3882 CE LYS B 101 7.252 17.993 0.163 1.00 4.21 C ATOM 3883 NZ LYS B 101 8.074 17.300 1.191 1.00 4.79 N ATOM 3884 OXT LYS B 101 5.579 24.124 1.196 1.00 5.06 O ATOM 0 H LYS B 101 7.509 21.976 1.433 1.00 4.83 H new ATOM 0 HA LYS B 101 6.700 22.410 -1.350 1.00 4.42 H new ATOM 0 HB2 LYS B 101 5.215 21.413 1.092 1.00 3.91 H new ATOM 0 HB3 LYS B 101 4.486 21.652 -0.483 1.00 3.91 H new ATOM 0 HG2 LYS B 101 4.955 19.372 -0.493 1.00 3.27 H new ATOM 0 HG3 LYS B 101 6.325 20.034 -1.362 1.00 3.27 H new ATOM 0 HD2 LYS B 101 7.651 20.013 0.772 1.00 3.64 H new ATOM 0 HD3 LYS B 101 6.286 19.276 1.588 1.00 3.64 H new ATOM 0 HE2 LYS B 101 6.384 17.380 -0.078 1.00 4.21 H new ATOM 0 HE3 LYS B 101 7.833 18.098 -0.753 1.00 4.21 H new ATOM 0 HZ1 LYS B 101 8.424 16.399 0.806 1.00 4.79 H new ATOM 0 HZ2 LYS B 101 8.881 17.901 1.453 1.00 4.79 H new ATOM 0 HZ3 LYS B 101 7.493 17.114 2.033 1.00 4.79 H new TER 3898 LYS B 101