USER MOD reduce.3.24.130724 H: found=0, std=0, add=1944, rem=0, adj=79 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 63:sc= -1.58 USER MOD Set 1.2: C1934 MET CE :methyl 151:sc= -0.497 (180deg=-1.3!) USER MOD Set 2.1: B 87 ASN :FLIP amide:sc= -0.993 F(o=1!,f=1.8) USER MOD Set 2.2: B 97 GLN : amide:sc= 0.912 K(o=1.8,f=-9.5!) USER MOD Set 2.3: C1918 LYS NZ :NH3+ -169:sc= 1.89 (180deg=0.53) USER MOD Set 3.1: B 81 CYS SG : rot -106:sc= -13.1! USER MOD Set 3.2: B 85 MET CE :methyl -176:sc= -0.51 (180deg=-0.526) USER MOD Set 4.1: B 31 LYS NZ :NH3+ -120:sc= -3.05! (180deg=-7.01!) USER MOD Set 4.2: B 68 ASN : amide:sc= -0.489 K(o=-3.5,f=-9.1!) USER MOD Set 5.1: A 12 MET CE :methyl 168:sc= -1.03 (180deg=-0.423) USER MOD Set 5.2: A 80 SER OG : rot 75:sc= 0.0513 USER MOD Set 5.3: B 12 MET CE :methyl 180:sc= -2.38 (180deg=-1.82) USER MOD Set 5.4: B 80 SER OG : rot -149:sc= -1.71! USER MOD Set 6.1: A 87 ASN : amide:sc= 0.983 K(o=0.23,f=-4.5) USER MOD Set 6.2: B 17 HIS : no HD1:sc= -0.753! C(o=0.23!,f=-8.2!) USER MOD Set 7.1: A 81 CYS SG : rot 38:sc= -4.62! USER MOD Set 7.2: A 84 MET CE :methyl -174:sc= -5.08! (180deg=-5.27!) USER MOD Set 7.3: C1910 MET CE :methyl -172:sc= -4.82! (180deg=-5.12!) USER MOD Set 8.1: A 57 LYS NZ :NH3+ -159:sc= 1.23 (180deg=0) USER MOD Set 8.2: A 61 ASN : amide:sc= 1.4 K(o=3.4,f=-8.3!) USER MOD Set 8.3: C1904 THR OG1 : rot -40:sc= 0.798 USER MOD Single : A 1 MET CE :methyl 157:sc= -0.213 (180deg=-0.868) USER MOD Single : A 1 MET N :NH3+ -118:sc= 1.41 (180deg=-0.064) USER MOD Single : A 3 CYS SG : rot 180:sc= 0.0107 USER MOD Single : A 7 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0187) USER MOD Single : A 14 SER OG : rot 142:sc= 1.26 USER MOD Single : A 15 THR OG1 : rot -128:sc= 1.24 USER MOD Single : A 17 HIS : no HD1:sc= -2.49 X(o=-2.5,f=-2) USER MOD Single : A 18 LYS NZ :NH3+ 165:sc= -0.0308 (180deg=-0.26) USER MOD Single : A 19 TYR OH : rot 24:sc= 0.262 USER MOD Single : A 20 SER OG : rot -76:sc= 1.03 USER MOD Single : A 22 LYS NZ :NH3+ 172:sc= 1.26 (180deg=1.14) USER MOD Single : A 26 LYS NZ :NH3+ 137:sc= -0.0577 (180deg=-0.363) USER MOD Single : A 28 LYS NZ :NH3+ 160:sc= 1.17 (180deg=0.644) USER MOD Single : A 30 ASN : amide:sc= -1.95! C(o=-1.9!,f=-5.8!) USER MOD Single : A 31 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0351) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 157:sc= 1.24 (180deg=0.992) USER MOD Single : A 39 THR OG1 : rot -5:sc= -0.0809 USER MOD Single : A 44 SER OG : rot -108:sc= 0.317 USER MOD Single : A 48 LYS NZ :NH3+ -164:sc= -0.0556 (180deg=-0.357) USER MOD Single : A 50 THR OG1 : rot 90:sc= -2.7! USER MOD Single : A 56 GLN :FLIP amide:sc= 0 F(o=-0.53,f=0) USER MOD Single : A 59 MET CE :methyl 161:sc= -2.21 (180deg=-3.32!) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot -31:sc= 1.01 USER MOD Single : A 65 ASN : amide:sc= -0.247 K(o=-0.25,f=-4.1!) USER MOD Single : A 68 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 73 GLN : amide:sc= -0.218 K(o=-0.22,f=-3.1!) USER MOD Single : A 75 TYR OH : rot 30:sc= -0.673 USER MOD Single : A 76 CYS SG : rot -64:sc= -3.08! USER MOD Single : A 85 MET CE :methyl -171:sc= -6.11! (180deg=-6.9!) USER MOD Single : A 86 CYS SG : rot 140:sc= 0 USER MOD Single : A 96 LYS NZ :NH3+ 165:sc= 1.11 (180deg=0.73) USER MOD Single : A 97 GLN :FLIP amide:sc=-0.00624 F(o=-1.2,f=-0.0062) USER MOD Single : A 100 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00701) USER MOD Single : A 101 LYS NZ :NH3+ -164:sc= -0.0552 (180deg=-0.354) USER MOD Single : B 1 MET CE :methyl 134:sc= -0.0857 (180deg=-0.564) USER MOD Single : B 1 MET N :NH3+ 173:sc= -0.257 (180deg=-0.357) USER MOD Single : B 3 CYS SG : rot 180:sc= 0.00256 USER MOD Single : B 7 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0207) USER MOD Single : B 14 SER OG : rot 144:sc= 1.24 USER MOD Single : B 15 THR OG1 : rot -127:sc= 1.25 USER MOD Single : B 18 LYS NZ :NH3+ 164:sc= -0.0483 (180deg=-0.305) USER MOD Single : B 19 TYR OH : rot 24:sc= 0.216 USER MOD Single : B 20 SER OG : rot -80:sc= 0.968 USER MOD Single : B 22 LYS NZ :NH3+ -173:sc= 1.29 (180deg=1.06) USER MOD Single : B 26 LYS NZ :NH3+ 137:sc= -0.0607 (180deg=-0.368) USER MOD Single : B 28 LYS NZ :NH3+ 168:sc= 2.39 (180deg=1.73) USER MOD Single : B 30 ASN : amide:sc= -2.08! C(o=-2.1!,f=-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 -9:sc= 0.197 USER MOD Single : B 44 SER OG : rot -111:sc= 1.27 USER MOD Single : B 48 LYS NZ :NH3+ -157:sc= 1.18 (180deg=1.06) USER MOD Single : B 50 THR OG1 : rot 50:sc= 0.0664 USER MOD Single : B 56 GLN :FLIP amide:sc= -0.0379 F(o=-1.5!,f=-0.038) USER MOD Single : B 57 LYS NZ :NH3+ -137:sc= 1.24 (180deg=0.24) USER MOD Single : B 59 MET CE :methyl 174:sc= -1.9 (180deg=-2.12) USER MOD Single : B 60 SER OG : rot 26:sc= 0.339 USER MOD Single : B 61 ASN :FLIP amide:sc= -0.872 F(o=-4.3!,f=-0.87) USER MOD Single : B 64 SER OG : rot 180:sc= 0 USER MOD Single : B 65 ASN : amide:sc= 1.16 K(o=1.2,f=-0.00018) USER MOD Single : B 73 GLN : amide:sc= -0.417 K(o=-0.42,f=-2.1!) USER MOD Single : B 75 TYR OH : rot 0:sc= -0.765 USER MOD Single : B 76 CYS SG : rot 65:sc= -0.383 USER MOD Single : B 84 MET CE :methyl 151:sc= -7.58! (180deg=-13.1!) USER MOD Single : B 96 LYS NZ :NH3+ -141:sc= -0.199 (180deg=-0.698) USER MOD Single : B 100 LYS NZ :NH3+ 169:sc=-0.00158 (180deg=-0.145) USER MOD Single : B 101 LYS NZ :NH3+ 144:sc= 1.2 (180deg=0.736) USER MOD Single : C1897 GLN : amide:sc= -1.65! C(o=-1.7!,f=-6.9!) USER MOD Single : C1906 THR OG1 : rot 72:sc= 1.4 USER MOD Single : C1911 ASN :FLIP amide:sc= -0.135 F(o=-0.69,f=-0.14) USER MOD Single : C1915 SER OG : rot 180:sc= 0 USER MOD Single : C1916 SER OG : rot 86:sc= 0.242 USER MOD Single : C1919 ASN : amide:sc= 0 X(o=0,f=-0.45) USER MOD Single : C1920 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLN C1897 -20.952 -9.798 0.978 1.00 1.90 N ATOM 2 CA GLN C1897 -19.497 -9.988 1.162 1.00 1.28 C ATOM 3 C GLN C1897 -18.902 -8.818 1.916 1.00 1.03 C ATOM 4 O GLN C1897 -19.595 -7.832 2.179 1.00 1.73 O ATOM 5 CB GLN C1897 -18.789 -10.130 -0.178 1.00 1.38 C ATOM 6 CG GLN C1897 -19.018 -8.969 -1.125 1.00 1.18 C ATOM 7 CD GLN C1897 -18.305 -9.161 -2.442 1.00 1.58 C ATOM 8 OE1 GLN C1897 -18.865 -9.708 -3.389 1.00 2.33 O ATOM 9 NE2 GLN C1897 -17.053 -8.739 -2.502 1.00 1.78 N ATOM 0 HA GLN C1897 -19.355 -10.904 1.736 1.00 1.28 H new ATOM 0 HB2 GLN C1897 -17.719 -10.235 -0.002 1.00 1.38 H new ATOM 0 HB3 GLN C1897 -19.125 -11.049 -0.659 1.00 1.38 H new ATOM 0 HG2 GLN C1897 -20.087 -8.854 -1.305 1.00 1.18 H new ATOM 0 HG3 GLN C1897 -18.673 -8.047 -0.657 1.00 1.18 H new ATOM 0 HE21 GLN C1897 -16.627 -8.290 -1.691 1.00 1.78 H new ATOM 0 HE22 GLN C1897 -16.514 -8.863 -3.359 1.00 1.78 H new ATOM 20 N ARG C1898 -17.609 -8.917 2.226 1.00 0.67 N ATOM 21 CA ARG C1898 -16.937 -7.934 3.042 1.00 0.76 C ATOM 22 C ARG C1898 -15.518 -8.399 3.318 1.00 0.64 C ATOM 23 O ARG C1898 -15.123 -8.592 4.465 1.00 0.95 O ATOM 24 CB ARG C1898 -17.703 -7.724 4.348 1.00 1.15 C ATOM 25 CG ARG C1898 -17.226 -6.539 5.168 1.00 1.54 C ATOM 26 CD ARG C1898 -18.078 -6.357 6.410 1.00 2.04 C ATOM 27 NE ARG C1898 -18.027 -7.518 7.295 1.00 2.71 N ATOM 28 CZ ARG C1898 -19.039 -7.918 8.061 1.00 3.58 C ATOM 29 NH1 ARG C1898 -20.191 -7.255 8.058 1.00 3.84 N ATOM 30 NH2 ARG C1898 -18.892 -8.983 8.833 1.00 4.54 N ATOM 0 H ARG C1898 -17.010 -9.681 1.915 1.00 0.67 H new ATOM 0 HA ARG C1898 -16.901 -6.981 2.514 1.00 0.76 H new ATOM 0 HB2 ARG C1898 -18.760 -7.590 4.118 1.00 1.15 H new ATOM 0 HB3 ARG C1898 -17.620 -8.627 4.953 1.00 1.15 H new ATOM 0 HG2 ARG C1898 -16.185 -6.687 5.456 1.00 1.54 H new ATOM 0 HG3 ARG C1898 -17.264 -5.634 4.561 1.00 1.54 H new ATOM 0 HD2 ARG C1898 -17.740 -5.474 6.953 1.00 2.04 H new ATOM 0 HD3 ARG C1898 -19.111 -6.173 6.115 1.00 2.04 H new ATOM 0 HE ARG C1898 -17.161 -8.056 7.328 1.00 2.71 H new ATOM 0 HH11 ARG C1898 -20.305 -6.433 7.465 1.00 3.84 H new ATOM 0 HH12 ARG C1898 -20.961 -7.569 8.648 1.00 3.84 H new ATOM 0 HH21 ARG C1898 -18.008 -9.491 8.838 1.00 4.54 H new ATOM 0 HH22 ARG C1898 -19.663 -9.296 9.423 1.00 4.54 H new ATOM 44 N GLU C1899 -14.757 -8.585 2.253 1.00 0.40 N ATOM 45 CA GLU C1899 -13.353 -8.951 2.360 1.00 0.29 C ATOM 46 C GLU C1899 -12.618 -7.861 3.099 1.00 0.24 C ATOM 47 O GLU C1899 -11.627 -8.102 3.785 1.00 0.27 O ATOM 48 CB GLU C1899 -12.748 -9.102 0.975 1.00 0.30 C ATOM 49 CG GLU C1899 -13.172 -7.980 0.048 1.00 0.35 C ATOM 50 CD GLU C1899 -14.333 -8.385 -0.823 1.00 0.62 C ATOM 51 OE1 GLU C1899 -14.102 -8.943 -1.913 1.00 0.76 O ATOM 52 OE2 GLU C1899 -15.491 -8.187 -0.393 1.00 0.97 O ATOM 0 H GLU C1899 -15.092 -8.488 1.294 1.00 0.40 H new ATOM 0 HA GLU C1899 -13.267 -9.897 2.895 1.00 0.29 H new ATOM 0 HB2 GLU C1899 -11.661 -9.117 1.053 1.00 0.30 H new ATOM 0 HB3 GLU C1899 -13.050 -10.059 0.549 1.00 0.30 H new ATOM 0 HG2 GLU C1899 -13.447 -7.105 0.637 1.00 0.35 H new ATOM 0 HG3 GLU C1899 -12.330 -7.689 -0.580 1.00 0.35 H new ATOM 59 N LEU C1900 -13.145 -6.653 2.962 1.00 0.24 N ATOM 60 CA LEU C1900 -12.563 -5.483 3.567 1.00 0.25 C ATOM 61 C LEU C1900 -12.670 -5.550 5.098 1.00 0.28 C ATOM 62 O LEU C1900 -12.172 -4.683 5.802 1.00 0.44 O ATOM 63 CB LEU C1900 -13.240 -4.209 3.043 1.00 0.33 C ATOM 64 CG LEU C1900 -12.903 -3.773 1.610 1.00 0.20 C ATOM 65 CD1 LEU C1900 -11.413 -3.833 1.351 1.00 0.22 C ATOM 66 CD2 LEU C1900 -13.679 -4.559 0.586 1.00 0.31 C ATOM 0 H LEU C1900 -13.991 -6.465 2.425 1.00 0.24 H new ATOM 0 HA LEU C1900 -11.508 -5.453 3.296 1.00 0.25 H new ATOM 0 HB2 LEU C1900 -14.319 -4.349 3.108 1.00 0.33 H new ATOM 0 HB3 LEU C1900 -12.983 -3.390 3.714 1.00 0.33 H new ATOM 0 HG LEU C1900 -13.210 -2.732 1.509 1.00 0.20 H new ATOM 0 HD11 LEU C1900 -11.209 -3.518 0.328 1.00 0.22 H new ATOM 0 HD12 LEU C1900 -10.896 -3.170 2.045 1.00 0.22 H new ATOM 0 HD13 LEU C1900 -11.060 -4.854 1.494 1.00 0.22 H new ATOM 0 HD21 LEU C1900 -13.410 -4.219 -0.414 1.00 0.31 H new ATOM 0 HD22 LEU C1900 -13.442 -5.618 0.685 1.00 0.31 H new ATOM 0 HD23 LEU C1900 -14.747 -4.410 0.745 1.00 0.31 H new ATOM 78 N GLU C1901 -13.330 -6.585 5.611 1.00 0.27 N ATOM 79 CA GLU C1901 -13.385 -6.808 7.048 1.00 0.34 C ATOM 80 C GLU C1901 -12.037 -7.307 7.543 1.00 0.37 C ATOM 81 O GLU C1901 -11.374 -6.649 8.338 1.00 0.52 O ATOM 82 CB GLU C1901 -14.461 -7.834 7.399 1.00 0.48 C ATOM 83 CG GLU C1901 -14.564 -8.126 8.886 1.00 1.00 C ATOM 84 CD GLU C1901 -15.340 -9.391 9.176 1.00 1.11 C ATOM 85 OE1 GLU C1901 -16.349 -9.640 8.486 1.00 1.44 O ATOM 86 OE2 GLU C1901 -14.944 -10.140 10.093 1.00 1.48 O ATOM 0 H GLU C1901 -13.831 -7.278 5.054 1.00 0.27 H new ATOM 0 HA GLU C1901 -13.631 -5.862 7.531 1.00 0.34 H new ATOM 0 HB2 GLU C1901 -15.425 -7.473 7.041 1.00 0.48 H new ATOM 0 HB3 GLU C1901 -14.251 -8.763 6.869 1.00 0.48 H new ATOM 0 HG2 GLU C1901 -13.562 -8.214 9.306 1.00 1.00 H new ATOM 0 HG3 GLU C1901 -15.046 -7.286 9.385 1.00 1.00 H new ATOM 93 N ASP C1902 -11.639 -8.471 7.048 1.00 0.37 N ATOM 94 CA ASP C1902 -10.382 -9.089 7.446 1.00 0.46 C ATOM 95 C ASP C1902 -9.198 -8.403 6.778 1.00 0.44 C ATOM 96 O ASP C1902 -8.098 -8.365 7.329 1.00 0.58 O ATOM 97 CB ASP C1902 -10.398 -10.579 7.090 1.00 0.60 C ATOM 98 CG ASP C1902 -9.070 -11.259 7.351 1.00 1.18 C ATOM 99 OD1 ASP C1902 -8.741 -11.491 8.531 1.00 1.42 O ATOM 100 OD2 ASP C1902 -8.342 -11.552 6.378 1.00 2.01 O ATOM 0 H ASP C1902 -12.173 -9.009 6.366 1.00 0.37 H new ATOM 0 HA ASP C1902 -10.272 -8.977 8.525 1.00 0.46 H new ATOM 0 HB2 ASP C1902 -11.176 -11.078 7.668 1.00 0.60 H new ATOM 0 HB3 ASP C1902 -10.659 -10.694 6.038 1.00 0.60 H new ATOM 105 N ALA C1903 -9.434 -7.845 5.599 1.00 0.36 N ATOM 106 CA ALA C1903 -8.375 -7.204 4.834 1.00 0.46 C ATOM 107 C ALA C1903 -7.888 -5.932 5.512 1.00 0.37 C ATOM 108 O ALA C1903 -6.743 -5.853 5.954 1.00 0.37 O ATOM 109 CB ALA C1903 -8.850 -6.881 3.431 1.00 0.66 C ATOM 0 H ALA C1903 -10.350 -7.823 5.152 1.00 0.36 H new ATOM 0 HA ALA C1903 -7.543 -7.906 4.781 1.00 0.46 H new ATOM 0 HB1 ALA C1903 -8.044 -6.402 2.875 1.00 0.66 H new ATOM 0 HB2 ALA C1903 -9.143 -7.801 2.925 1.00 0.66 H new ATOM 0 HB3 ALA C1903 -9.705 -6.207 3.483 1.00 0.66 H new ATOM 115 N THR C1904 -8.760 -4.938 5.605 1.00 0.37 N ATOM 116 CA THR C1904 -8.354 -3.643 6.112 1.00 0.36 C ATOM 117 C THR C1904 -8.500 -3.563 7.628 1.00 0.34 C ATOM 118 O THR C1904 -8.294 -2.514 8.225 1.00 0.36 O ATOM 119 CB THR C1904 -9.125 -2.500 5.430 1.00 0.40 C ATOM 120 OG1 THR C1904 -10.530 -2.637 5.650 1.00 0.42 O ATOM 121 CG2 THR C1904 -8.846 -2.494 3.934 1.00 0.40 C ATOM 0 H THR C1904 -9.742 -5.005 5.338 1.00 0.37 H new ATOM 0 HA THR C1904 -7.298 -3.525 5.870 1.00 0.36 H new ATOM 0 HB THR C1904 -8.788 -1.559 5.865 1.00 0.40 H new ATOM 0 HG1 THR C1904 -10.780 -3.582 5.587 1.00 0.42 H new ATOM 0 HG21 THR C1904 -9.398 -1.680 3.464 1.00 0.40 H new ATOM 0 HG22 THR C1904 -7.779 -2.354 3.764 1.00 0.40 H new ATOM 0 HG23 THR C1904 -9.161 -3.443 3.501 1.00 0.40 H new ATOM 129 N GLU C1905 -8.850 -4.679 8.252 1.00 0.32 N ATOM 130 CA GLU C1905 -8.734 -4.799 9.699 1.00 0.32 C ATOM 131 C GLU C1905 -7.301 -4.515 10.085 1.00 0.28 C ATOM 132 O GLU C1905 -7.003 -3.712 10.972 1.00 0.32 O ATOM 133 CB GLU C1905 -9.067 -6.216 10.132 1.00 0.36 C ATOM 134 CG GLU C1905 -8.843 -6.478 11.612 1.00 0.62 C ATOM 135 CD GLU C1905 -9.236 -7.880 12.023 1.00 1.25 C ATOM 136 OE1 GLU C1905 -8.501 -8.833 11.680 1.00 2.06 O ATOM 137 OE2 GLU C1905 -10.279 -8.041 12.689 1.00 1.76 O ATOM 0 H GLU C1905 -9.214 -5.509 7.784 1.00 0.32 H new ATOM 0 HA GLU C1905 -9.420 -4.099 10.177 1.00 0.32 H new ATOM 0 HB2 GLU C1905 -10.109 -6.423 9.890 1.00 0.36 H new ATOM 0 HB3 GLU C1905 -8.461 -6.914 9.554 1.00 0.36 H new ATOM 0 HG2 GLU C1905 -7.792 -6.315 11.851 1.00 0.62 H new ATOM 0 HG3 GLU C1905 -9.418 -5.758 12.195 1.00 0.62 H new ATOM 144 N THR C1906 -6.422 -5.189 9.366 1.00 0.25 N ATOM 145 CA THR C1906 -5.000 -5.064 9.541 1.00 0.24 C ATOM 146 C THR C1906 -4.503 -3.689 9.104 1.00 0.21 C ATOM 147 O THR C1906 -3.361 -3.319 9.376 1.00 0.19 O ATOM 148 CB THR C1906 -4.296 -6.171 8.742 1.00 0.29 C ATOM 149 OG1 THR C1906 -5.268 -6.886 7.961 1.00 0.48 O ATOM 150 CG2 THR C1906 -3.593 -7.136 9.677 1.00 0.47 C ATOM 0 H THR C1906 -6.688 -5.848 8.634 1.00 0.25 H new ATOM 0 HA THR C1906 -4.766 -5.171 10.600 1.00 0.24 H new ATOM 0 HB THR C1906 -3.555 -5.714 8.086 1.00 0.29 H new ATOM 0 HG1 THR C1906 -5.570 -6.322 7.219 1.00 0.48 H new ATOM 0 HG21 THR C1906 -3.100 -7.914 9.094 1.00 0.47 H new ATOM 0 HG22 THR C1906 -2.850 -6.597 10.265 1.00 0.47 H new ATOM 0 HG23 THR C1906 -4.323 -7.592 10.345 1.00 0.47 H new ATOM 158 N ALA C1907 -5.373 -2.927 8.438 1.00 0.23 N ATOM 159 CA ALA C1907 -5.022 -1.585 7.995 1.00 0.21 C ATOM 160 C ALA C1907 -4.772 -0.676 9.185 1.00 0.21 C ATOM 161 O ALA C1907 -3.786 0.057 9.219 1.00 0.21 O ATOM 162 CB ALA C1907 -6.099 -0.989 7.094 1.00 0.22 C ATOM 0 H ALA C1907 -6.320 -3.218 8.197 1.00 0.23 H new ATOM 0 HA ALA C1907 -4.105 -1.665 7.412 1.00 0.21 H new ATOM 0 HB1 ALA C1907 -5.801 0.013 6.784 1.00 0.22 H new ATOM 0 HB2 ALA C1907 -6.226 -1.619 6.213 1.00 0.22 H new ATOM 0 HB3 ALA C1907 -7.041 -0.935 7.640 1.00 0.22 H new ATOM 168 N ASP C1908 -5.669 -0.737 10.159 1.00 0.24 N ATOM 169 CA ASP C1908 -5.536 0.051 11.381 1.00 0.26 C ATOM 170 C ASP C1908 -4.188 -0.231 12.047 1.00 0.27 C ATOM 171 O ASP C1908 -3.531 0.681 12.550 1.00 0.34 O ATOM 172 CB ASP C1908 -6.679 -0.279 12.348 1.00 0.33 C ATOM 173 CG ASP C1908 -6.895 0.785 13.410 1.00 0.44 C ATOM 174 OD1 ASP C1908 -5.994 1.008 14.245 1.00 0.68 O ATOM 175 OD2 ASP C1908 -7.990 1.389 13.434 1.00 0.58 O ATOM 0 H ASP C1908 -6.501 -1.326 10.128 1.00 0.24 H new ATOM 0 HA ASP C1908 -5.586 1.109 11.123 1.00 0.26 H new ATOM 0 HB2 ASP C1908 -7.600 -0.407 11.780 1.00 0.33 H new ATOM 0 HB3 ASP C1908 -6.470 -1.231 12.835 1.00 0.33 H new ATOM 180 N ALA C1909 -3.772 -1.496 12.022 1.00 0.23 N ATOM 181 CA ALA C1909 -2.484 -1.893 12.589 1.00 0.24 C ATOM 182 C ALA C1909 -1.321 -1.370 11.741 1.00 0.22 C ATOM 183 O ALA C1909 -0.470 -0.626 12.234 1.00 0.24 O ATOM 184 CB ALA C1909 -2.407 -3.402 12.726 1.00 0.27 C ATOM 0 H ALA C1909 -4.307 -2.263 11.616 1.00 0.23 H new ATOM 0 HA ALA C1909 -2.402 -1.448 13.581 1.00 0.24 H new ATOM 0 HB1 ALA C1909 -1.442 -3.680 13.149 1.00 0.27 H new ATOM 0 HB2 ALA C1909 -3.205 -3.749 13.383 1.00 0.27 H new ATOM 0 HB3 ALA C1909 -2.519 -3.863 11.744 1.00 0.27 H new ATOM 190 N MET C1910 -1.294 -1.771 10.467 1.00 0.19 N ATOM 191 CA MET C1910 -0.311 -1.276 9.501 1.00 0.19 C ATOM 192 C MET C1910 -0.160 0.246 9.533 1.00 0.19 C ATOM 193 O MET C1910 0.922 0.756 9.322 1.00 0.22 O ATOM 194 CB MET C1910 -0.697 -1.744 8.090 1.00 0.18 C ATOM 195 CG MET C1910 -0.092 -0.918 6.962 1.00 0.20 C ATOM 196 SD MET C1910 -0.580 -1.527 5.345 1.00 0.20 S ATOM 197 CE MET C1910 0.105 -3.176 5.407 1.00 0.14 C ATOM 0 H MET C1910 -1.952 -2.446 10.077 1.00 0.19 H new ATOM 0 HA MET C1910 0.658 -1.690 9.781 1.00 0.19 H new ATOM 0 HB2 MET C1910 -0.389 -2.782 7.968 1.00 0.18 H new ATOM 0 HB3 MET C1910 -1.783 -1.721 7.998 1.00 0.18 H new ATOM 0 HG2 MET C1910 -0.403 0.121 7.067 1.00 0.20 H new ATOM 0 HG3 MET C1910 0.995 -0.935 7.043 1.00 0.20 H new ATOM 0 HE1 MET C1910 0.016 -3.644 4.427 1.00 0.14 H new ATOM 0 HE2 MET C1910 1.156 -3.123 5.689 1.00 0.14 H new ATOM 0 HE3 MET C1910 -0.439 -3.768 6.143 1.00 0.14 H new ATOM 207 N ASN C1911 -1.228 0.968 9.811 1.00 0.21 N ATOM 208 CA ASN C1911 -1.185 2.434 9.820 1.00 0.22 C ATOM 209 C ASN C1911 -0.309 2.972 10.945 1.00 0.23 C ATOM 210 O ASN C1911 0.369 3.990 10.791 1.00 0.27 O ATOM 211 CB ASN C1911 -2.594 2.976 9.990 1.00 0.24 C ATOM 212 CG ASN C1911 -2.676 4.457 9.729 1.00 0.25 C ATOM 213 OD1 ASN C1911 -2.937 4.802 8.489 1.00 0.42 O flip ATOM 214 ND2 ASN C1911 -2.506 5.277 10.630 1.00 0.25 N flip ATOM 0 H ASN C1911 -2.141 0.572 10.035 1.00 0.21 H new ATOM 0 HA ASN C1911 -0.756 2.759 8.872 1.00 0.22 H new ATOM 0 HB2 ASN C1911 -3.266 2.452 9.310 1.00 0.24 H new ATOM 0 HB3 ASN C1911 -2.940 2.769 11.003 1.00 0.24 H new ATOM 0 HD21 ASN C1911 -2.305 4.959 11.578 1.00 0.25 H new ATOM 0 HD22 ASN C1911 -2.566 6.275 10.429 1.00 0.25 H new ATOM 221 N ARG C1912 -0.317 2.294 12.076 1.00 0.23 N ATOM 222 CA ARG C1912 0.452 2.751 13.223 1.00 0.26 C ATOM 223 C ARG C1912 1.928 2.612 12.924 1.00 0.28 C ATOM 224 O ARG C1912 2.728 3.512 13.191 1.00 0.38 O ATOM 225 CB ARG C1912 0.095 1.944 14.461 1.00 0.30 C ATOM 226 CG ARG C1912 -1.403 1.761 14.645 1.00 0.75 C ATOM 227 CD ARG C1912 -2.136 3.087 14.518 1.00 1.46 C ATOM 228 NE ARG C1912 -3.589 2.922 14.539 1.00 2.17 N ATOM 229 CZ ARG C1912 -4.441 3.879 14.905 1.00 2.91 C ATOM 230 NH1 ARG C1912 -3.993 5.075 15.271 1.00 3.13 N ATOM 231 NH2 ARG C1912 -5.745 3.635 14.894 1.00 3.76 N ATOM 0 H ARG C1912 -0.841 1.432 12.228 1.00 0.23 H new ATOM 0 HA ARG C1912 0.215 3.797 13.415 1.00 0.26 H new ATOM 0 HB2 ARG C1912 0.569 0.965 14.398 1.00 0.30 H new ATOM 0 HB3 ARG C1912 0.505 2.440 15.341 1.00 0.30 H new ATOM 0 HG2 ARG C1912 -1.781 1.060 13.901 1.00 0.75 H new ATOM 0 HG3 ARG C1912 -1.602 1.324 15.624 1.00 0.75 H new ATOM 0 HD2 ARG C1912 -1.835 3.745 15.333 1.00 1.46 H new ATOM 0 HD3 ARG C1912 -1.841 3.575 13.589 1.00 1.46 H new ATOM 0 HE ARG C1912 -3.973 2.020 14.257 1.00 2.17 H new ATOM 0 HH11 ARG C1912 -2.991 5.266 15.273 1.00 3.13 H new ATOM 0 HH12 ARG C1912 -4.651 5.803 15.550 1.00 3.13 H new ATOM 0 HH21 ARG C1912 -6.090 2.719 14.607 1.00 3.76 H new ATOM 0 HH22 ARG C1912 -6.402 4.363 15.173 1.00 3.76 H new ATOM 245 N GLU C1913 2.278 1.483 12.333 1.00 0.23 N ATOM 246 CA GLU C1913 3.645 1.228 11.950 1.00 0.25 C ATOM 247 C GLU C1913 3.993 2.004 10.692 1.00 0.22 C ATOM 248 O GLU C1913 5.099 2.478 10.567 1.00 0.27 O ATOM 249 CB GLU C1913 3.871 -0.270 11.740 1.00 0.29 C ATOM 250 CG GLU C1913 2.907 -0.903 10.752 1.00 0.29 C ATOM 251 CD GLU C1913 3.094 -2.401 10.631 1.00 0.39 C ATOM 252 OE1 GLU C1913 3.148 -3.082 11.677 1.00 0.79 O ATOM 253 OE2 GLU C1913 3.161 -2.912 9.495 1.00 0.57 O ATOM 0 H GLU C1913 1.628 0.729 12.110 1.00 0.23 H new ATOM 0 HA GLU C1913 4.300 1.563 12.754 1.00 0.25 H new ATOM 0 HB2 GLU C1913 4.891 -0.428 11.390 1.00 0.29 H new ATOM 0 HB3 GLU C1913 3.780 -0.780 12.699 1.00 0.29 H new ATOM 0 HG2 GLU C1913 1.884 -0.693 11.063 1.00 0.29 H new ATOM 0 HG3 GLU C1913 3.043 -0.444 9.773 1.00 0.29 H new ATOM 260 N VAL C1914 3.024 2.167 9.791 1.00 0.19 N ATOM 261 CA VAL C1914 3.257 2.791 8.486 1.00 0.20 C ATOM 262 C VAL C1914 3.617 4.258 8.623 1.00 0.18 C ATOM 263 O VAL C1914 4.424 4.782 7.863 1.00 0.20 O ATOM 264 CB VAL C1914 2.021 2.668 7.552 1.00 0.24 C ATOM 265 CG1 VAL C1914 0.989 3.747 7.825 1.00 0.26 C ATOM 266 CG2 VAL C1914 2.428 2.716 6.103 1.00 0.29 C ATOM 0 H VAL C1914 2.059 1.872 9.943 1.00 0.19 H new ATOM 0 HA VAL C1914 4.094 2.252 8.042 1.00 0.20 H new ATOM 0 HB VAL C1914 1.567 1.700 7.766 1.00 0.24 H new ATOM 0 HG11 VAL C1914 0.143 3.621 7.149 1.00 0.26 H new ATOM 0 HG12 VAL C1914 0.644 3.668 8.856 1.00 0.26 H new ATOM 0 HG13 VAL C1914 1.437 4.728 7.667 1.00 0.26 H new ATOM 0 HG21 VAL C1914 1.543 2.628 5.473 1.00 0.29 H new ATOM 0 HG22 VAL C1914 2.927 3.663 5.896 1.00 0.29 H new ATOM 0 HG23 VAL C1914 3.109 1.892 5.889 1.00 0.29 H new ATOM 276 N SER C1915 3.017 4.919 9.590 1.00 0.21 N ATOM 277 CA SER C1915 3.257 6.327 9.790 1.00 0.28 C ATOM 278 C SER C1915 4.647 6.509 10.375 1.00 0.28 C ATOM 279 O SER C1915 5.347 7.475 10.073 1.00 0.36 O ATOM 280 CB SER C1915 2.172 6.889 10.689 1.00 0.36 C ATOM 281 OG SER C1915 2.206 8.305 10.742 1.00 1.31 O ATOM 0 H SER C1915 2.360 4.501 10.249 1.00 0.21 H new ATOM 0 HA SER C1915 3.219 6.873 8.847 1.00 0.28 H new ATOM 0 HB2 SER C1915 1.197 6.563 10.327 1.00 0.36 H new ATOM 0 HB3 SER C1915 2.290 6.486 11.695 1.00 0.36 H new ATOM 0 HG SER C1915 1.491 8.628 11.330 1.00 1.31 H new ATOM 287 N SER C1916 5.050 5.542 11.185 1.00 0.25 N ATOM 288 CA SER C1916 6.413 5.461 11.655 1.00 0.27 C ATOM 289 C SER C1916 7.323 4.986 10.515 1.00 0.27 C ATOM 290 O SER C1916 8.473 5.400 10.399 1.00 0.29 O ATOM 291 CB SER C1916 6.464 4.483 12.829 1.00 0.31 C ATOM 292 OG SER C1916 5.488 4.815 13.807 1.00 1.04 O ATOM 0 H SER C1916 4.442 4.799 11.530 1.00 0.25 H new ATOM 0 HA SER C1916 6.761 6.440 11.985 1.00 0.27 H new ATOM 0 HB2 SER C1916 6.294 3.468 12.470 1.00 0.31 H new ATOM 0 HB3 SER C1916 7.457 4.500 13.279 1.00 0.31 H new ATOM 0 HG SER C1916 4.632 4.402 13.568 1.00 1.04 H new ATOM 298 N LEU C1917 6.756 4.140 9.664 1.00 0.30 N ATOM 299 CA LEU C1917 7.463 3.454 8.596 1.00 0.30 C ATOM 300 C LEU C1917 7.853 4.407 7.481 1.00 0.26 C ATOM 301 O LEU C1917 9.016 4.492 7.105 1.00 0.26 O ATOM 302 CB LEU C1917 6.562 2.335 8.046 1.00 0.42 C ATOM 303 CG LEU C1917 7.250 1.188 7.308 1.00 0.57 C ATOM 304 CD1 LEU C1917 7.340 1.457 5.826 1.00 1.25 C ATOM 305 CD2 LEU C1917 8.622 0.962 7.867 1.00 1.16 C ATOM 0 H LEU C1917 5.764 3.907 9.701 1.00 0.30 H new ATOM 0 HA LEU C1917 8.384 3.033 8.999 1.00 0.30 H new ATOM 0 HB2 LEU C1917 6.000 1.913 8.879 1.00 0.42 H new ATOM 0 HB3 LEU C1917 5.837 2.786 7.369 1.00 0.42 H new ATOM 0 HG LEU C1917 6.646 0.292 7.453 1.00 0.57 H new ATOM 0 HD11 LEU C1917 7.835 0.620 5.334 1.00 1.25 H new ATOM 0 HD12 LEU C1917 6.337 1.577 5.416 1.00 1.25 H new ATOM 0 HD13 LEU C1917 7.913 2.368 5.656 1.00 1.25 H new ATOM 0 HD21 LEU C1917 9.102 0.142 7.333 1.00 1.16 H new ATOM 0 HD22 LEU C1917 9.216 1.868 7.750 1.00 1.16 H new ATOM 0 HD23 LEU C1917 8.547 0.711 8.925 1.00 1.16 H new ATOM 317 N LYS C1918 6.885 5.131 6.954 1.00 0.28 N ATOM 318 CA LYS C1918 7.161 6.027 5.855 1.00 0.29 C ATOM 319 C LYS C1918 8.072 7.162 6.324 1.00 0.32 C ATOM 320 O LYS C1918 8.798 7.758 5.537 1.00 0.38 O ATOM 321 CB LYS C1918 5.850 6.526 5.216 1.00 0.39 C ATOM 322 CG LYS C1918 5.569 8.010 5.342 1.00 0.29 C ATOM 323 CD LYS C1918 4.892 8.347 6.664 1.00 0.40 C ATOM 324 CE LYS C1918 5.749 9.254 7.502 1.00 0.69 C ATOM 325 NZ LYS C1918 5.998 10.565 6.841 1.00 1.36 N ATOM 0 H LYS C1918 5.914 5.116 7.266 1.00 0.28 H new ATOM 0 HA LYS C1918 7.696 5.492 5.071 1.00 0.29 H new ATOM 0 HB2 LYS C1918 5.865 6.268 4.157 1.00 0.39 H new ATOM 0 HB3 LYS C1918 5.020 5.980 5.665 1.00 0.39 H new ATOM 0 HG2 LYS C1918 6.503 8.565 5.260 1.00 0.29 H new ATOM 0 HG3 LYS C1918 4.934 8.331 4.516 1.00 0.29 H new ATOM 0 HD2 LYS C1918 3.932 8.826 6.471 1.00 0.40 H new ATOM 0 HD3 LYS C1918 4.685 7.429 7.214 1.00 0.40 H new ATOM 0 HE2 LYS C1918 5.265 9.421 8.464 1.00 0.69 H new ATOM 0 HE3 LYS C1918 6.702 8.765 7.705 1.00 0.69 H new ATOM 0 HZ1 LYS C1918 6.736 11.081 7.361 1.00 1.36 H new ATOM 0 HZ2 LYS C1918 6.310 10.406 5.862 1.00 1.36 H new ATOM 0 HZ3 LYS C1918 5.121 11.125 6.838 1.00 1.36 H new ATOM 339 N ASN C1919 8.034 7.432 7.628 1.00 0.31 N ATOM 340 CA ASN C1919 8.925 8.415 8.251 1.00 0.33 C ATOM 341 C ASN C1919 10.365 7.910 8.298 1.00 0.32 C ATOM 342 O ASN C1919 11.304 8.683 8.126 1.00 0.41 O ATOM 343 CB ASN C1919 8.450 8.747 9.672 1.00 0.37 C ATOM 344 CG ASN C1919 9.235 9.884 10.306 1.00 0.43 C ATOM 345 OD1 ASN C1919 10.283 9.670 10.916 1.00 1.05 O ATOM 346 ND2 ASN C1919 8.720 11.099 10.191 1.00 1.15 N ATOM 0 H ASN C1919 7.391 6.981 8.279 1.00 0.31 H new ATOM 0 HA ASN C1919 8.895 9.317 7.640 1.00 0.33 H new ATOM 0 HB2 ASN C1919 7.393 9.013 9.644 1.00 0.37 H new ATOM 0 HB3 ASN C1919 8.539 7.858 10.297 1.00 0.37 H new ATOM 0 HD21 ASN C1919 9.194 11.896 10.616 1.00 1.15 H new ATOM 0 HD22 ASN C1919 7.849 11.237 9.678 1.00 1.15 H new ATOM 353 N LYS C1920 10.545 6.605 8.496 1.00 0.28 N ATOM 354 CA LYS C1920 11.875 6.044 8.600 1.00 0.37 C ATOM 355 C LYS C1920 12.391 5.747 7.214 1.00 0.41 C ATOM 356 O LYS C1920 13.592 5.656 6.989 1.00 0.53 O ATOM 357 CB LYS C1920 11.911 4.795 9.502 1.00 0.48 C ATOM 358 CG LYS C1920 10.767 3.797 9.309 1.00 0.33 C ATOM 359 CD LYS C1920 10.821 2.695 10.356 1.00 0.44 C ATOM 360 CE LYS C1920 12.189 2.035 10.396 1.00 1.36 C ATOM 361 NZ LYS C1920 12.260 0.957 11.414 1.00 1.64 N ATOM 0 H LYS C1920 9.788 5.927 8.586 1.00 0.28 H new ATOM 0 HA LYS C1920 12.528 6.775 9.078 1.00 0.37 H new ATOM 0 HB2 LYS C1920 12.854 4.275 9.332 1.00 0.48 H new ATOM 0 HB3 LYS C1920 11.911 5.122 10.542 1.00 0.48 H new ATOM 0 HG2 LYS C1920 9.811 4.317 9.373 1.00 0.33 H new ATOM 0 HG3 LYS C1920 10.826 3.360 8.312 1.00 0.33 H new ATOM 0 HD2 LYS C1920 10.587 3.110 11.336 1.00 0.44 H new ATOM 0 HD3 LYS C1920 10.060 1.946 10.137 1.00 0.44 H new ATOM 0 HE2 LYS C1920 12.420 1.622 9.414 1.00 1.36 H new ATOM 0 HE3 LYS C1920 12.948 2.787 10.612 1.00 1.36 H new ATOM 0 HZ1 LYS C1920 13.210 0.535 11.407 1.00 1.64 H new ATOM 0 HZ2 LYS C1920 12.065 1.355 12.355 1.00 1.64 H new ATOM 0 HZ3 LYS C1920 11.554 0.225 11.195 1.00 1.64 H new ATOM 375 N LEU C1921 11.470 5.639 6.276 1.00 0.38 N ATOM 376 CA LEU C1921 11.839 5.488 4.888 1.00 0.46 C ATOM 377 C LEU C1921 12.044 6.856 4.247 1.00 0.59 C ATOM 378 O LEU C1921 12.441 6.967 3.092 1.00 0.92 O ATOM 379 CB LEU C1921 10.797 4.676 4.123 1.00 0.44 C ATOM 380 CG LEU C1921 10.535 3.266 4.663 1.00 0.38 C ATOM 381 CD1 LEU C1921 9.826 2.437 3.615 1.00 0.40 C ATOM 382 CD2 LEU C1921 11.822 2.588 5.095 1.00 0.48 C ATOM 0 H LEU C1921 10.465 5.653 6.452 1.00 0.38 H new ATOM 0 HA LEU C1921 12.779 4.938 4.842 1.00 0.46 H new ATOM 0 HB2 LEU C1921 9.857 5.228 4.126 1.00 0.44 H new ATOM 0 HB3 LEU C1921 11.116 4.595 3.084 1.00 0.44 H new ATOM 0 HG LEU C1921 9.898 3.352 5.543 1.00 0.38 H new ATOM 0 HD11 LEU C1921 9.643 1.436 4.006 1.00 0.40 H new ATOM 0 HD12 LEU C1921 8.876 2.907 3.361 1.00 0.40 H new ATOM 0 HD13 LEU C1921 10.448 2.370 2.722 1.00 0.40 H new ATOM 0 HD21 LEU C1921 11.599 1.590 5.473 1.00 0.48 H new ATOM 0 HD22 LEU C1921 12.497 2.511 4.242 1.00 0.48 H new ATOM 0 HD23 LEU C1921 12.297 3.175 5.881 1.00 0.48 H new ATOM 394 N ARG C1922 11.761 7.901 5.005 1.00 0.49 N ATOM 395 CA ARG C1922 12.114 9.228 4.638 1.00 0.66 C ATOM 396 C ARG C1922 13.476 9.564 5.233 1.00 0.65 C ATOM 397 O ARG C1922 13.998 10.666 5.064 1.00 0.78 O ATOM 398 CB ARG C1922 11.052 10.155 5.193 1.00 0.87 C ATOM 399 CG ARG C1922 9.922 10.495 4.228 1.00 1.15 C ATOM 400 CD ARG C1922 10.431 10.992 2.881 1.00 1.07 C ATOM 401 NE ARG C1922 11.321 12.148 3.008 1.00 1.64 N ATOM 402 CZ ARG C1922 12.559 12.193 2.512 1.00 2.45 C ATOM 403 NH1 ARG C1922 13.068 11.132 1.903 1.00 2.92 N ATOM 404 NH2 ARG C1922 13.291 13.297 2.631 1.00 3.23 N ATOM 0 H ARG C1922 11.274 7.833 5.899 1.00 0.49 H new ATOM 0 HA ARG C1922 12.173 9.336 3.555 1.00 0.66 H new ATOM 0 HB2 ARG C1922 10.622 9.698 6.084 1.00 0.87 H new ATOM 0 HB3 ARG C1922 11.530 11.082 5.509 1.00 0.87 H new ATOM 0 HG2 ARG C1922 9.302 9.612 4.074 1.00 1.15 H new ATOM 0 HG3 ARG C1922 9.285 11.258 4.675 1.00 1.15 H new ATOM 0 HD2 ARG C1922 10.960 10.184 2.376 1.00 1.07 H new ATOM 0 HD3 ARG C1922 9.582 11.259 2.252 1.00 1.07 H new ATOM 0 HE ARG C1922 10.974 12.968 3.505 1.00 1.64 H new ATOM 0 HH11 ARG C1922 12.513 10.281 1.813 1.00 2.92 H new ATOM 0 HH12 ARG C1922 14.014 11.167 1.524 1.00 2.92 H new ATOM 0 HH21 ARG C1922 12.907 14.115 3.103 1.00 3.23 H new ATOM 0 HH22 ARG C1922 14.237 13.325 2.250 1.00 3.23 H new ATOM 418 N ARG C1923 14.039 8.587 5.926 1.00 0.58 N ATOM 419 CA ARG C1923 15.274 8.763 6.663 1.00 0.73 C ATOM 420 C ARG C1923 16.100 7.476 6.571 1.00 1.24 C ATOM 421 O ARG C1923 16.055 6.789 5.564 1.00 2.11 O ATOM 422 CB ARG C1923 14.930 9.096 8.119 1.00 0.81 C ATOM 423 CG ARG C1923 16.048 9.784 8.886 1.00 1.13 C ATOM 424 CD ARG C1923 15.642 10.046 10.323 1.00 1.55 C ATOM 425 NE ARG C1923 14.494 10.943 10.413 1.00 2.40 N ATOM 426 CZ ARG C1923 13.645 10.968 11.436 1.00 3.28 C ATOM 427 NH1 ARG C1923 13.779 10.102 12.437 1.00 3.55 N ATOM 428 NH2 ARG C1923 12.650 11.846 11.449 1.00 4.28 N ATOM 0 H ARG C1923 13.648 7.647 5.992 1.00 0.58 H new ATOM 0 HA ARG C1923 15.863 9.579 6.245 1.00 0.73 H new ATOM 0 HB2 ARG C1923 14.048 9.736 8.134 1.00 0.81 H new ATOM 0 HB3 ARG C1923 14.664 8.174 8.637 1.00 0.81 H new ATOM 0 HG2 ARG C1923 16.943 9.163 8.865 1.00 1.13 H new ATOM 0 HG3 ARG C1923 16.302 10.726 8.399 1.00 1.13 H new ATOM 0 HD2 ARG C1923 15.402 9.101 10.810 1.00 1.55 H new ATOM 0 HD3 ARG C1923 16.483 10.479 10.864 1.00 1.55 H new ATOM 0 HE ARG C1923 14.333 11.592 9.642 1.00 2.40 H new ATOM 0 HH11 ARG C1923 14.534 9.417 12.421 1.00 3.55 H new ATOM 0 HH12 ARG C1923 13.126 10.123 13.221 1.00 3.55 H new ATOM 0 HH21 ARG C1923 12.537 12.501 10.675 1.00 4.28 H new ATOM 0 HH22 ARG C1923 11.998 11.866 12.233 1.00 4.28 H new ATOM 442 N GLY C1924 16.845 7.166 7.621 1.00 1.22 N ATOM 443 CA GLY C1924 17.651 5.956 7.673 1.00 1.93 C ATOM 444 C GLY C1924 18.687 5.870 6.572 1.00 1.43 C ATOM 445 O GLY C1924 19.123 4.773 6.225 1.00 1.98 O ATOM 0 H GLY C1924 16.908 7.744 8.459 1.00 1.22 H new ATOM 0 HA2 GLY C1924 18.154 5.906 8.639 1.00 1.93 H new ATOM 0 HA3 GLY C1924 16.994 5.089 7.611 1.00 1.93 H new ATOM 449 N ASP C1925 19.091 7.026 6.037 1.00 0.81 N ATOM 450 CA ASP C1925 19.993 7.079 4.881 1.00 1.16 C ATOM 451 C ASP C1925 19.417 6.266 3.729 1.00 0.95 C ATOM 452 O ASP C1925 20.157 5.712 2.912 1.00 1.23 O ATOM 453 CB ASP C1925 21.393 6.561 5.237 1.00 1.89 C ATOM 454 CG ASP C1925 22.136 7.476 6.188 1.00 2.48 C ATOM 455 OD1 ASP C1925 22.571 8.565 5.757 1.00 2.71 O ATOM 456 OD2 ASP C1925 22.301 7.105 7.369 1.00 2.98 O ATOM 0 H ASP C1925 18.807 7.941 6.387 1.00 0.81 H new ATOM 0 HA ASP C1925 20.086 8.122 4.578 1.00 1.16 H new ATOM 0 HB2 ASP C1925 21.305 5.572 5.687 1.00 1.89 H new ATOM 0 HB3 ASP C1925 21.975 6.445 4.323 1.00 1.89 H new ATOM 461 N LEU C1926 18.088 6.218 3.679 1.00 0.64 N ATOM 462 CA LEU C1926 17.362 5.420 2.701 1.00 0.60 C ATOM 463 C LEU C1926 17.825 5.684 1.273 1.00 0.54 C ATOM 464 O LEU C1926 17.900 6.829 0.824 1.00 0.72 O ATOM 465 CB LEU C1926 15.854 5.683 2.808 1.00 0.93 C ATOM 466 CG LEU C1926 15.051 4.721 3.702 1.00 0.48 C ATOM 467 CD1 LEU C1926 13.868 4.197 2.909 1.00 0.56 C ATOM 468 CD2 LEU C1926 15.904 3.554 4.173 1.00 0.57 C ATOM 0 H LEU C1926 17.484 6.734 4.319 1.00 0.64 H new ATOM 0 HA LEU C1926 17.573 4.375 2.930 1.00 0.60 H new ATOM 0 HB2 LEU C1926 15.710 6.697 3.182 1.00 0.93 H new ATOM 0 HB3 LEU C1926 15.430 5.650 1.804 1.00 0.93 H new ATOM 0 HG LEU C1926 14.714 5.264 4.585 1.00 0.48 H new ATOM 0 HD11 LEU C1926 13.288 3.513 3.529 1.00 0.56 H new ATOM 0 HD12 LEU C1926 13.237 5.031 2.602 1.00 0.56 H new ATOM 0 HD13 LEU C1926 14.227 3.669 2.025 1.00 0.56 H new ATOM 0 HD21 LEU C1926 15.305 2.896 4.802 1.00 0.57 H new ATOM 0 HD22 LEU C1926 16.269 2.998 3.309 1.00 0.57 H new ATOM 0 HD23 LEU C1926 16.751 3.931 4.746 1.00 0.57 H new ATOM 480 N PRO C1927 18.137 4.602 0.543 1.00 0.46 N ATOM 481 CA PRO C1927 18.512 4.664 -0.865 1.00 0.55 C ATOM 482 C PRO C1927 17.287 4.611 -1.761 1.00 0.63 C ATOM 483 O PRO C1927 17.388 4.437 -2.978 1.00 1.12 O ATOM 484 CB PRO C1927 19.336 3.396 -1.038 1.00 0.54 C ATOM 485 CG PRO C1927 18.707 2.414 -0.107 1.00 0.44 C ATOM 486 CD PRO C1927 18.149 3.213 1.046 1.00 0.41 C ATOM 0 HA PRO C1927 19.038 5.581 -1.129 1.00 0.55 H new ATOM 0 HB2 PRO C1927 19.307 3.041 -2.068 1.00 0.54 H new ATOM 0 HB3 PRO C1927 20.383 3.566 -0.788 1.00 0.54 H new ATOM 0 HG2 PRO C1927 17.918 1.854 -0.609 1.00 0.44 H new ATOM 0 HG3 PRO C1927 19.440 1.687 0.243 1.00 0.44 H new ATOM 0 HD2 PRO C1927 17.148 2.878 1.317 1.00 0.41 H new ATOM 0 HD3 PRO C1927 18.770 3.116 1.937 1.00 0.41 H new ATOM 494 N PHE C1928 16.135 4.748 -1.134 1.00 0.30 N ATOM 495 CA PHE C1928 14.868 4.593 -1.805 1.00 0.27 C ATOM 496 C PHE C1928 13.848 5.518 -1.166 1.00 0.27 C ATOM 497 O PHE C1928 13.633 5.475 0.044 1.00 0.31 O ATOM 498 CB PHE C1928 14.450 3.120 -1.740 1.00 0.24 C ATOM 499 CG PHE C1928 13.148 2.833 -1.086 1.00 0.23 C ATOM 500 CD1 PHE C1928 11.960 3.276 -1.622 1.00 0.30 C ATOM 501 CD2 PHE C1928 13.128 2.103 0.068 1.00 0.26 C ATOM 502 CE1 PHE C1928 10.775 2.992 -1.007 1.00 0.33 C ATOM 503 CE2 PHE C1928 11.942 1.807 0.690 1.00 0.29 C ATOM 504 CZ PHE C1928 10.767 2.256 0.151 1.00 0.27 C ATOM 0 H PHE C1928 16.056 4.971 -0.142 1.00 0.30 H new ATOM 0 HA PHE C1928 14.943 4.870 -2.857 1.00 0.27 H new ATOM 0 HB2 PHE C1928 14.415 2.729 -2.757 1.00 0.24 H new ATOM 0 HB3 PHE C1928 15.227 2.567 -1.212 1.00 0.24 H new ATOM 0 HD1 PHE C1928 11.966 3.852 -2.535 1.00 0.30 H new ATOM 0 HD2 PHE C1928 14.057 1.755 0.496 1.00 0.26 H new ATOM 0 HE1 PHE C1928 9.847 3.346 -1.431 1.00 0.33 H new ATOM 0 HE2 PHE C1928 11.935 1.224 1.599 1.00 0.29 H new ATOM 0 HZ PHE C1928 9.830 2.030 0.639 1.00 0.27 H new ATOM 514 N VAL C1929 13.230 6.344 -1.992 1.00 0.25 N ATOM 515 CA VAL C1929 12.337 7.396 -1.537 1.00 0.25 C ATOM 516 C VAL C1929 11.468 7.880 -2.672 1.00 0.25 C ATOM 517 O VAL C1929 11.805 7.707 -3.841 1.00 0.27 O ATOM 518 CB VAL C1929 13.123 8.605 -1.028 1.00 0.29 C ATOM 519 CG1 VAL C1929 13.693 8.341 0.341 1.00 0.62 C ATOM 520 CG2 VAL C1929 14.221 8.911 -2.017 1.00 0.62 C ATOM 0 H VAL C1929 13.335 6.303 -3.006 1.00 0.25 H new ATOM 0 HA VAL C1929 11.732 6.972 -0.735 1.00 0.25 H new ATOM 0 HB VAL C1929 12.457 9.463 -0.939 1.00 0.29 H new ATOM 0 HG11 VAL C1929 14.247 9.217 0.679 1.00 0.62 H new ATOM 0 HG12 VAL C1929 12.882 8.133 1.039 1.00 0.62 H new ATOM 0 HG13 VAL C1929 14.363 7.482 0.297 1.00 0.62 H new ATOM 0 HG21 VAL C1929 14.793 9.772 -1.671 1.00 0.62 H new ATOM 0 HG22 VAL C1929 14.881 8.048 -2.106 1.00 0.62 H new ATOM 0 HG23 VAL C1929 13.783 9.134 -2.990 1.00 0.62 H new ATOM 530 N VAL C1930 10.375 8.519 -2.331 1.00 0.26 N ATOM 531 CA VAL C1930 9.508 9.087 -3.335 1.00 0.26 C ATOM 532 C VAL C1930 10.097 10.380 -3.879 1.00 0.29 C ATOM 533 O VAL C1930 10.454 11.281 -3.121 1.00 0.32 O ATOM 534 CB VAL C1930 8.111 9.379 -2.777 1.00 0.28 C ATOM 535 CG1 VAL C1930 7.205 9.918 -3.873 1.00 0.34 C ATOM 536 CG2 VAL C1930 7.525 8.131 -2.157 1.00 0.32 C ATOM 0 H VAL C1930 10.065 8.659 -1.369 1.00 0.26 H new ATOM 0 HA VAL C1930 9.421 8.351 -4.134 1.00 0.26 H new ATOM 0 HB VAL C1930 8.194 10.140 -2.001 1.00 0.28 H new ATOM 0 HG11 VAL C1930 6.216 10.121 -3.461 1.00 0.34 H new ATOM 0 HG12 VAL C1930 7.627 10.840 -4.273 1.00 0.34 H new ATOM 0 HG13 VAL C1930 7.121 9.181 -4.671 1.00 0.34 H new ATOM 0 HG21 VAL C1930 6.532 8.351 -1.764 1.00 0.32 H new ATOM 0 HG22 VAL C1930 7.451 7.350 -2.913 1.00 0.32 H new ATOM 0 HG23 VAL C1930 8.169 7.791 -1.346 1.00 0.32 H new ATOM 546 N PRO C1931 10.255 10.457 -5.199 1.00 0.34 N ATOM 547 CA PRO C1931 10.609 11.700 -5.883 1.00 0.42 C ATOM 548 C PRO C1931 9.506 12.751 -5.737 1.00 0.45 C ATOM 549 O PRO C1931 8.393 12.431 -5.319 1.00 0.45 O ATOM 550 CB PRO C1931 10.775 11.273 -7.347 1.00 0.56 C ATOM 551 CG PRO C1931 10.049 9.974 -7.467 1.00 0.48 C ATOM 552 CD PRO C1931 10.133 9.322 -6.120 1.00 0.36 C ATOM 0 HA PRO C1931 11.506 12.164 -5.472 1.00 0.42 H new ATOM 0 HB2 PRO C1931 10.359 12.019 -8.023 1.00 0.56 H new ATOM 0 HB3 PRO C1931 11.828 11.160 -7.606 1.00 0.56 H new ATOM 0 HG2 PRO C1931 9.011 10.134 -7.758 1.00 0.48 H new ATOM 0 HG3 PRO C1931 10.502 9.344 -8.233 1.00 0.48 H new ATOM 0 HD2 PRO C1931 9.246 8.725 -5.907 1.00 0.36 H new ATOM 0 HD3 PRO C1931 10.991 8.654 -6.050 1.00 0.36 H new ATOM 560 N ARG C1932 9.813 13.999 -6.082 1.00 0.54 N ATOM 561 CA ARG C1932 8.861 15.101 -5.926 1.00 0.70 C ATOM 562 C ARG C1932 7.574 14.816 -6.697 1.00 0.89 C ATOM 563 O ARG C1932 6.472 15.159 -6.263 1.00 1.79 O ATOM 564 CB ARG C1932 9.489 16.412 -6.406 1.00 0.83 C ATOM 565 CG ARG C1932 8.595 17.625 -6.216 1.00 1.53 C ATOM 566 CD ARG C1932 9.249 18.882 -6.761 1.00 2.00 C ATOM 567 NE ARG C1932 8.375 20.047 -6.647 1.00 2.79 N ATOM 568 CZ ARG C1932 8.277 20.997 -7.575 1.00 3.62 C ATOM 569 NH1 ARG C1932 8.990 20.913 -8.691 1.00 3.88 N ATOM 570 NH2 ARG C1932 7.467 22.032 -7.391 1.00 4.56 N ATOM 0 H ARG C1932 10.714 14.275 -6.472 1.00 0.54 H new ATOM 0 HA ARG C1932 8.612 15.195 -4.869 1.00 0.70 H new ATOM 0 HB2 ARG C1932 10.424 16.574 -5.870 1.00 0.83 H new ATOM 0 HB3 ARG C1932 9.739 16.319 -7.463 1.00 0.83 H new ATOM 0 HG2 ARG C1932 7.643 17.460 -6.720 1.00 1.53 H new ATOM 0 HG3 ARG C1932 8.377 17.756 -5.156 1.00 1.53 H new ATOM 0 HD2 ARG C1932 10.177 19.071 -6.222 1.00 2.00 H new ATOM 0 HD3 ARG C1932 9.514 18.728 -7.807 1.00 2.00 H new ATOM 0 HE ARG C1932 7.805 20.138 -5.806 1.00 2.79 H new ATOM 0 HH11 ARG C1932 9.614 20.120 -8.839 1.00 3.88 H new ATOM 0 HH12 ARG C1932 8.914 21.641 -9.401 1.00 3.88 H new ATOM 0 HH21 ARG C1932 6.916 22.103 -6.536 1.00 4.56 H new ATOM 0 HH22 ARG C1932 7.396 22.757 -8.105 1.00 4.56 H new ATOM 584 N ARG C1933 7.740 14.191 -7.840 1.00 0.74 N ATOM 585 CA ARG C1933 6.637 13.710 -8.644 1.00 0.76 C ATOM 586 C ARG C1933 6.956 12.270 -8.994 1.00 0.65 C ATOM 587 O ARG C1933 8.053 11.816 -8.700 1.00 0.69 O ATOM 588 CB ARG C1933 6.512 14.574 -9.906 1.00 0.95 C ATOM 589 CG ARG C1933 5.257 14.332 -10.733 1.00 1.66 C ATOM 590 CD ARG C1933 5.255 15.186 -11.988 1.00 1.80 C ATOM 591 NE ARG C1933 5.452 16.600 -11.687 1.00 2.56 N ATOM 592 CZ ARG C1933 6.169 17.429 -12.444 1.00 2.86 C ATOM 593 NH1 ARG C1933 6.735 16.988 -13.564 1.00 2.53 N ATOM 594 NH2 ARG C1933 6.321 18.696 -12.075 1.00 3.92 N ATOM 0 H ARG C1933 8.657 13.999 -8.244 1.00 0.74 H new ATOM 0 HA ARG C1933 5.687 13.768 -8.113 1.00 0.76 H new ATOM 0 HB2 ARG C1933 6.538 15.624 -9.613 1.00 0.95 H new ATOM 0 HB3 ARG C1933 7.383 14.397 -10.536 1.00 0.95 H new ATOM 0 HG2 ARG C1933 5.196 13.279 -11.006 1.00 1.66 H new ATOM 0 HG3 ARG C1933 4.374 14.558 -10.135 1.00 1.66 H new ATOM 0 HD2 ARG C1933 6.043 14.845 -12.660 1.00 1.80 H new ATOM 0 HD3 ARG C1933 4.309 15.056 -12.514 1.00 1.80 H new ATOM 0 HE ARG C1933 5.014 16.976 -10.846 1.00 2.56 H new ATOM 0 HH11 ARG C1933 6.620 16.014 -13.844 1.00 2.53 H new ATOM 0 HH12 ARG C1933 7.284 17.624 -14.143 1.00 2.53 H new ATOM 0 HH21 ARG C1933 5.889 19.032 -11.214 1.00 3.92 H new ATOM 0 HH22 ARG C1933 6.869 19.333 -12.653 1.00 3.92 H new ATOM 608 N MET C1934 6.029 11.544 -9.601 1.00 0.70 N ATOM 609 CA MET C1934 6.331 10.193 -10.061 1.00 0.73 C ATOM 610 C MET C1934 7.494 10.207 -11.052 1.00 0.84 C ATOM 611 O MET C1934 8.106 9.172 -11.318 1.00 1.02 O ATOM 612 CB MET C1934 5.088 9.545 -10.660 1.00 0.81 C ATOM 613 CG MET C1934 4.059 9.217 -9.598 1.00 0.89 C ATOM 614 SD MET C1934 4.698 8.049 -8.382 1.00 1.18 S ATOM 615 CE MET C1934 3.699 8.459 -6.955 1.00 0.55 C ATOM 0 H MET C1934 5.076 11.859 -9.785 1.00 0.70 H new ATOM 0 HA MET C1934 6.639 9.592 -9.205 1.00 0.73 H new ATOM 0 HB2 MET C1934 4.648 10.216 -11.398 1.00 0.81 H new ATOM 0 HB3 MET C1934 5.371 8.633 -11.186 1.00 0.81 H new ATOM 0 HG2 MET C1934 3.752 10.134 -9.095 1.00 0.89 H new ATOM 0 HG3 MET C1934 3.170 8.799 -10.070 1.00 0.89 H new ATOM 0 HE1 MET C1934 3.578 7.575 -6.330 1.00 0.55 H new ATOM 0 HE2 MET C1934 4.190 9.245 -6.381 1.00 0.55 H new ATOM 0 HE3 MET C1934 2.720 8.808 -7.284 1.00 0.55 H new ATOM 625 N ALA C1935 7.772 11.395 -11.590 1.00 0.93 N ATOM 626 CA ALA C1935 9.002 11.670 -12.318 1.00 1.04 C ATOM 627 C ALA C1935 9.103 10.842 -13.592 1.00 1.66 C ATOM 628 O ALA C1935 9.840 9.837 -13.606 1.00 2.07 O ATOM 629 CB ALA C1935 10.206 11.445 -11.407 1.00 1.04 C ATOM 630 OXT ALA C1935 8.439 11.213 -14.583 1.00 2.38 O ATOM 0 H ALA C1935 7.143 12.196 -11.530 1.00 0.93 H new ATOM 0 HA ALA C1935 8.990 12.715 -12.627 1.00 1.04 H new ATOM 0 HB1 ALA C1935 11.123 11.653 -11.958 1.00 1.04 H new ATOM 0 HB2 ALA C1935 10.141 12.111 -10.547 1.00 1.04 H new ATOM 0 HB3 ALA C1935 10.215 10.410 -11.065 1.00 1.04 H new TER 636 ALA C1935 ATOM 637 N MET A 1 2.385 -5.395 -19.676 1.00 1.37 N ATOM 638 CA MET A 1 1.582 -4.446 -18.873 1.00 0.72 C ATOM 639 C MET A 1 2.394 -3.191 -18.586 1.00 0.58 C ATOM 640 O MET A 1 3.507 -3.032 -19.093 1.00 0.77 O ATOM 641 CB MET A 1 1.161 -5.080 -17.536 1.00 1.65 C ATOM 642 CG MET A 1 0.348 -6.362 -17.666 1.00 2.36 C ATOM 643 SD MET A 1 1.344 -7.787 -18.152 1.00 3.50 S ATOM 644 CE MET A 1 2.451 -7.931 -16.748 1.00 4.47 C ATOM 0 H1 MET A 1 1.921 -5.553 -20.593 1.00 1.37 H new ATOM 0 H2 MET A 1 3.335 -5.001 -19.832 1.00 1.37 H new ATOM 0 H3 MET A 1 2.465 -6.299 -19.168 1.00 1.37 H new ATOM 0 HA MET A 1 0.690 -4.192 -19.446 1.00 0.72 H new ATOM 0 HB2 MET A 1 2.057 -5.292 -16.952 1.00 1.65 H new ATOM 0 HB3 MET A 1 0.578 -4.352 -16.972 1.00 1.65 H new ATOM 0 HG2 MET A 1 -0.139 -6.574 -16.714 1.00 2.36 H new ATOM 0 HG3 MET A 1 -0.442 -6.211 -18.401 1.00 2.36 H new ATOM 0 HE1 MET A 1 2.831 -8.951 -16.687 1.00 4.47 H new ATOM 0 HE2 MET A 1 3.285 -7.240 -16.870 1.00 4.47 H new ATOM 0 HE3 MET A 1 1.911 -7.690 -15.832 1.00 4.47 H new ATOM 654 N ALA A 2 1.829 -2.300 -17.782 1.00 0.37 N ATOM 655 CA ALA A 2 2.558 -1.144 -17.280 1.00 0.33 C ATOM 656 C ALA A 2 3.510 -1.608 -16.193 1.00 0.30 C ATOM 657 O ALA A 2 3.470 -2.775 -15.808 1.00 0.39 O ATOM 658 CB ALA A 2 1.591 -0.110 -16.724 1.00 0.33 C ATOM 0 H ALA A 2 0.862 -2.357 -17.462 1.00 0.37 H new ATOM 0 HA ALA A 2 3.119 -0.681 -18.092 1.00 0.33 H new ATOM 0 HB1 ALA A 2 2.150 0.749 -16.352 1.00 0.33 H new ATOM 0 HB2 ALA A 2 0.911 0.213 -17.512 1.00 0.33 H new ATOM 0 HB3 ALA A 2 1.017 -0.550 -15.908 1.00 0.33 H new ATOM 664 N CYS A 3 4.366 -0.713 -15.708 1.00 0.29 N ATOM 665 CA CYS A 3 5.228 -1.023 -14.579 1.00 0.27 C ATOM 666 C CYS A 3 4.369 -1.331 -13.357 1.00 0.22 C ATOM 667 O CYS A 3 3.811 -0.427 -12.734 1.00 0.21 O ATOM 668 CB CYS A 3 6.172 0.145 -14.305 1.00 0.32 C ATOM 669 SG CYS A 3 7.130 0.649 -15.755 1.00 0.43 S ATOM 0 H CYS A 3 4.479 0.230 -16.080 1.00 0.29 H new ATOM 0 HA CYS A 3 5.835 -1.899 -14.809 1.00 0.27 H new ATOM 0 HB2 CYS A 3 5.592 0.996 -13.948 1.00 0.32 H new ATOM 0 HB3 CYS A 3 6.857 -0.131 -13.504 1.00 0.32 H new ATOM 0 HG CYS A 3 7.903 1.645 -15.439 1.00 0.43 H new ATOM 675 N PRO A 4 4.254 -2.619 -13.017 1.00 0.20 N ATOM 676 CA PRO A 4 3.263 -3.118 -12.048 1.00 0.18 C ATOM 677 C PRO A 4 3.401 -2.503 -10.664 1.00 0.16 C ATOM 678 O PRO A 4 2.508 -1.790 -10.202 1.00 0.16 O ATOM 679 CB PRO A 4 3.584 -4.612 -11.985 1.00 0.21 C ATOM 680 CG PRO A 4 4.256 -4.911 -13.273 1.00 0.24 C ATOM 681 CD PRO A 4 5.094 -3.707 -13.547 1.00 0.24 C ATOM 0 HA PRO A 4 2.246 -2.874 -12.355 1.00 0.18 H new ATOM 0 HB2 PRO A 4 4.231 -4.842 -11.139 1.00 0.21 H new ATOM 0 HB3 PRO A 4 2.678 -5.206 -11.864 1.00 0.21 H new ATOM 0 HG2 PRO A 4 4.866 -5.811 -13.202 1.00 0.24 H new ATOM 0 HG3 PRO A 4 3.531 -5.079 -14.069 1.00 0.24 H new ATOM 0 HD2 PRO A 4 6.059 -3.759 -13.043 1.00 0.24 H new ATOM 0 HD3 PRO A 4 5.296 -3.585 -14.611 1.00 0.24 H new ATOM 689 N LEU A 5 4.529 -2.754 -10.015 1.00 0.16 N ATOM 690 CA LEU A 5 4.748 -2.261 -8.663 1.00 0.17 C ATOM 691 C LEU A 5 4.857 -0.742 -8.674 1.00 0.19 C ATOM 692 O LEU A 5 4.447 -0.079 -7.726 1.00 0.24 O ATOM 693 CB LEU A 5 6.011 -2.895 -8.067 1.00 0.17 C ATOM 694 CG LEU A 5 5.924 -3.295 -6.586 1.00 0.18 C ATOM 695 CD1 LEU A 5 5.717 -2.083 -5.698 1.00 0.20 C ATOM 696 CD2 LEU A 5 4.812 -4.305 -6.363 1.00 0.20 C ATOM 0 H LEU A 5 5.304 -3.294 -10.401 1.00 0.16 H new ATOM 0 HA LEU A 5 3.899 -2.541 -8.039 1.00 0.17 H new ATOM 0 HB2 LEU A 5 6.259 -3.782 -8.649 1.00 0.17 H new ATOM 0 HB3 LEU A 5 6.837 -2.194 -8.187 1.00 0.17 H new ATOM 0 HG LEU A 5 6.874 -3.756 -6.315 1.00 0.18 H new ATOM 0 HD11 LEU A 5 5.660 -2.400 -4.657 1.00 0.20 H new ATOM 0 HD12 LEU A 5 6.553 -1.394 -5.822 1.00 0.20 H new ATOM 0 HD13 LEU A 5 4.790 -1.582 -5.976 1.00 0.20 H new ATOM 0 HD21 LEU A 5 4.770 -4.573 -5.307 1.00 0.20 H new ATOM 0 HD22 LEU A 5 3.859 -3.870 -6.665 1.00 0.20 H new ATOM 0 HD23 LEU A 5 5.007 -5.198 -6.956 1.00 0.20 H new ATOM 708 N GLU A 6 5.378 -0.189 -9.762 1.00 0.19 N ATOM 709 CA GLU A 6 5.521 1.254 -9.870 1.00 0.23 C ATOM 710 C GLU A 6 4.156 1.927 -9.873 1.00 0.21 C ATOM 711 O GLU A 6 3.929 2.908 -9.163 1.00 0.25 O ATOM 712 CB GLU A 6 6.298 1.645 -11.126 1.00 0.32 C ATOM 713 CG GLU A 6 6.569 3.137 -11.225 1.00 0.47 C ATOM 714 CD GLU A 6 7.457 3.495 -12.391 1.00 0.90 C ATOM 715 OE1 GLU A 6 6.941 3.635 -13.520 1.00 1.78 O ATOM 716 OE2 GLU A 6 8.683 3.637 -12.189 1.00 1.39 O ATOM 0 H GLU A 6 5.705 -0.713 -10.574 1.00 0.19 H new ATOM 0 HA GLU A 6 6.085 1.595 -9.002 1.00 0.23 H new ATOM 0 HB2 GLU A 6 7.247 1.109 -11.139 1.00 0.32 H new ATOM 0 HB3 GLU A 6 5.739 1.325 -12.005 1.00 0.32 H new ATOM 0 HG2 GLU A 6 5.622 3.668 -11.319 1.00 0.47 H new ATOM 0 HG3 GLU A 6 7.035 3.479 -10.301 1.00 0.47 H new ATOM 723 N LYS A 7 3.242 1.388 -10.667 1.00 0.18 N ATOM 724 CA LYS A 7 1.902 1.934 -10.750 1.00 0.20 C ATOM 725 C LYS A 7 1.150 1.747 -9.444 1.00 0.17 C ATOM 726 O LYS A 7 0.281 2.539 -9.123 1.00 0.19 O ATOM 727 CB LYS A 7 1.132 1.321 -11.921 1.00 0.26 C ATOM 728 CG LYS A 7 1.273 2.124 -13.204 1.00 0.41 C ATOM 729 CD LYS A 7 0.566 3.465 -13.081 1.00 0.90 C ATOM 730 CE LYS A 7 0.803 4.352 -14.291 1.00 0.83 C ATOM 731 NZ LYS A 7 2.192 4.885 -14.343 1.00 1.16 N ATOM 0 H LYS A 7 3.407 0.575 -11.260 1.00 0.18 H new ATOM 0 HA LYS A 7 1.990 3.005 -10.931 1.00 0.20 H new ATOM 0 HB2 LYS A 7 1.489 0.305 -12.092 1.00 0.26 H new ATOM 0 HB3 LYS A 7 0.077 1.248 -11.658 1.00 0.26 H new ATOM 0 HG2 LYS A 7 2.328 2.283 -13.425 1.00 0.41 H new ATOM 0 HG3 LYS A 7 0.854 1.562 -14.038 1.00 0.41 H new ATOM 0 HD2 LYS A 7 -0.504 3.300 -12.958 1.00 0.90 H new ATOM 0 HD3 LYS A 7 0.915 3.977 -12.184 1.00 0.90 H new ATOM 0 HE2 LYS A 7 0.601 3.784 -15.199 1.00 0.83 H new ATOM 0 HE3 LYS A 7 0.099 5.184 -14.272 1.00 0.83 H new ATOM 0 HZ1 LYS A 7 2.275 5.563 -15.127 1.00 1.16 H new ATOM 0 HZ2 LYS A 7 2.414 5.364 -13.447 1.00 1.16 H new ATOM 0 HZ3 LYS A 7 2.859 4.101 -14.491 1.00 1.16 H new ATOM 745 N ALA A 8 1.508 0.720 -8.680 1.00 0.18 N ATOM 746 CA ALA A 8 0.889 0.488 -7.378 1.00 0.19 C ATOM 747 C ALA A 8 0.943 1.743 -6.510 1.00 0.17 C ATOM 748 O ALA A 8 -0.089 2.222 -6.049 1.00 0.21 O ATOM 749 CB ALA A 8 1.556 -0.681 -6.666 1.00 0.20 C ATOM 0 H ALA A 8 2.221 0.037 -8.938 1.00 0.18 H new ATOM 0 HA ALA A 8 -0.159 0.239 -7.547 1.00 0.19 H new ATOM 0 HB1 ALA A 8 1.080 -0.837 -5.698 1.00 0.20 H new ATOM 0 HB2 ALA A 8 1.453 -1.582 -7.271 1.00 0.20 H new ATOM 0 HB3 ALA A 8 2.614 -0.462 -6.519 1.00 0.20 H new ATOM 755 N LEU A 9 2.141 2.288 -6.313 1.00 0.14 N ATOM 756 CA LEU A 9 2.292 3.493 -5.497 1.00 0.14 C ATOM 757 C LEU A 9 1.777 4.720 -6.242 1.00 0.13 C ATOM 758 O LEU A 9 1.251 5.655 -5.636 1.00 0.16 O ATOM 759 CB LEU A 9 3.753 3.724 -5.086 1.00 0.15 C ATOM 760 CG LEU A 9 4.415 2.591 -4.293 1.00 0.16 C ATOM 761 CD1 LEU A 9 3.451 2.019 -3.276 1.00 0.19 C ATOM 762 CD2 LEU A 9 4.932 1.504 -5.214 1.00 0.15 C ATOM 0 H LEU A 9 3.011 1.922 -6.700 1.00 0.14 H new ATOM 0 HA LEU A 9 1.700 3.341 -4.595 1.00 0.14 H new ATOM 0 HB2 LEU A 9 4.340 3.901 -5.987 1.00 0.15 H new ATOM 0 HB3 LEU A 9 3.802 4.635 -4.490 1.00 0.15 H new ATOM 0 HG LEU A 9 5.269 3.009 -3.761 1.00 0.16 H new ATOM 0 HD11 LEU A 9 3.939 1.216 -2.723 1.00 0.19 H new ATOM 0 HD12 LEU A 9 3.145 2.803 -2.583 1.00 0.19 H new ATOM 0 HD13 LEU A 9 2.573 1.625 -3.788 1.00 0.19 H new ATOM 0 HD21 LEU A 9 5.396 0.715 -4.622 1.00 0.15 H new ATOM 0 HD22 LEU A 9 4.103 1.088 -5.787 1.00 0.15 H new ATOM 0 HD23 LEU A 9 5.669 1.926 -5.897 1.00 0.15 H new ATOM 774 N ASP A 10 1.938 4.709 -7.559 1.00 0.14 N ATOM 775 CA ASP A 10 1.477 5.806 -8.405 1.00 0.15 C ATOM 776 C ASP A 10 -0.025 5.989 -8.277 1.00 0.15 C ATOM 777 O ASP A 10 -0.504 7.051 -7.880 1.00 0.18 O ATOM 778 CB ASP A 10 1.833 5.528 -9.869 1.00 0.19 C ATOM 779 CG ASP A 10 1.346 6.609 -10.816 1.00 0.48 C ATOM 780 OD1 ASP A 10 0.140 6.637 -11.138 1.00 1.18 O ATOM 781 OD2 ASP A 10 2.175 7.425 -11.265 1.00 1.19 O ATOM 0 H ASP A 10 2.387 3.948 -8.068 1.00 0.14 H new ATOM 0 HA ASP A 10 1.973 6.719 -8.077 1.00 0.15 H new ATOM 0 HB2 ASP A 10 2.915 5.433 -9.962 1.00 0.19 H new ATOM 0 HB3 ASP A 10 1.402 4.572 -10.166 1.00 0.19 H new ATOM 786 N VAL A 11 -0.763 4.936 -8.591 1.00 0.16 N ATOM 787 CA VAL A 11 -2.213 4.996 -8.631 1.00 0.18 C ATOM 788 C VAL A 11 -2.792 5.217 -7.244 1.00 0.18 C ATOM 789 O VAL A 11 -3.909 5.707 -7.102 1.00 0.23 O ATOM 790 CB VAL A 11 -2.806 3.719 -9.249 1.00 0.20 C ATOM 791 CG1 VAL A 11 -2.146 3.447 -10.587 1.00 0.23 C ATOM 792 CG2 VAL A 11 -2.654 2.531 -8.309 1.00 0.18 C ATOM 0 H VAL A 11 -0.375 4.022 -8.824 1.00 0.16 H new ATOM 0 HA VAL A 11 -2.484 5.844 -9.260 1.00 0.18 H new ATOM 0 HB VAL A 11 -3.874 3.869 -9.408 1.00 0.20 H new ATOM 0 HG11 VAL A 11 -2.568 2.542 -11.023 1.00 0.23 H new ATOM 0 HG12 VAL A 11 -2.322 4.289 -11.257 1.00 0.23 H new ATOM 0 HG13 VAL A 11 -1.074 3.315 -10.444 1.00 0.23 H new ATOM 0 HG21 VAL A 11 -3.082 1.643 -8.773 1.00 0.18 H new ATOM 0 HG22 VAL A 11 -1.597 2.360 -8.106 1.00 0.18 H new ATOM 0 HG23 VAL A 11 -3.174 2.738 -7.374 1.00 0.18 H new ATOM 802 N MET A 12 -2.021 4.861 -6.224 1.00 0.16 N ATOM 803 CA MET A 12 -2.411 5.117 -4.849 1.00 0.20 C ATOM 804 C MET A 12 -2.748 6.579 -4.646 1.00 0.24 C ATOM 805 O MET A 12 -3.743 6.896 -4.013 1.00 0.40 O ATOM 806 CB MET A 12 -1.300 4.706 -3.898 1.00 0.25 C ATOM 807 CG MET A 12 -1.341 3.243 -3.534 1.00 0.17 C ATOM 808 SD MET A 12 0.151 2.707 -2.694 1.00 0.72 S ATOM 809 CE MET A 12 -0.395 1.138 -2.068 1.00 0.19 C ATOM 0 H MET A 12 -1.120 4.393 -6.327 1.00 0.16 H new ATOM 0 HA MET A 12 -3.300 4.524 -4.635 1.00 0.20 H new ATOM 0 HB2 MET A 12 -0.337 4.933 -4.355 1.00 0.25 H new ATOM 0 HB3 MET A 12 -1.370 5.302 -2.988 1.00 0.25 H new ATOM 0 HG2 MET A 12 -2.203 3.054 -2.894 1.00 0.17 H new ATOM 0 HG3 MET A 12 -1.479 2.650 -4.438 1.00 0.17 H new ATOM 0 HE1 MET A 12 0.463 0.573 -1.704 1.00 0.19 H new ATOM 0 HE2 MET A 12 -1.098 1.297 -1.251 1.00 0.19 H new ATOM 0 HE3 MET A 12 -0.885 0.579 -2.865 1.00 0.19 H new ATOM 819 N VAL A 13 -1.904 7.466 -5.162 1.00 0.17 N ATOM 820 CA VAL A 13 -2.183 8.892 -5.101 1.00 0.19 C ATOM 821 C VAL A 13 -2.909 9.388 -6.361 1.00 0.20 C ATOM 822 O VAL A 13 -3.688 10.338 -6.296 1.00 0.28 O ATOM 823 CB VAL A 13 -0.910 9.733 -4.845 1.00 0.18 C ATOM 824 CG1 VAL A 13 -0.358 9.459 -3.454 1.00 0.21 C ATOM 825 CG2 VAL A 13 0.151 9.465 -5.891 1.00 0.19 C ATOM 0 H VAL A 13 -1.028 7.223 -5.624 1.00 0.17 H new ATOM 0 HA VAL A 13 -2.847 9.032 -4.248 1.00 0.19 H new ATOM 0 HB VAL A 13 -1.191 10.784 -4.912 1.00 0.18 H new ATOM 0 HG11 VAL A 13 0.537 10.060 -3.293 1.00 0.21 H new ATOM 0 HG12 VAL A 13 -1.108 9.718 -2.707 1.00 0.21 H new ATOM 0 HG13 VAL A 13 -0.107 8.402 -3.364 1.00 0.21 H new ATOM 0 HG21 VAL A 13 1.031 10.072 -5.680 1.00 0.19 H new ATOM 0 HG22 VAL A 13 0.425 8.410 -5.870 1.00 0.19 H new ATOM 0 HG23 VAL A 13 -0.238 9.719 -6.877 1.00 0.19 H new ATOM 835 N SER A 14 -2.663 8.746 -7.502 1.00 0.19 N ATOM 836 CA SER A 14 -3.311 9.133 -8.759 1.00 0.22 C ATOM 837 C SER A 14 -4.823 8.901 -8.697 1.00 0.24 C ATOM 838 O SER A 14 -5.611 9.837 -8.848 1.00 0.28 O ATOM 839 CB SER A 14 -2.703 8.367 -9.937 1.00 0.24 C ATOM 840 OG SER A 14 -1.324 8.673 -10.093 1.00 1.12 O ATOM 0 H SER A 14 -2.022 7.957 -7.584 1.00 0.19 H new ATOM 0 HA SER A 14 -3.138 10.199 -8.908 1.00 0.22 H new ATOM 0 HB2 SER A 14 -2.825 7.295 -9.779 1.00 0.24 H new ATOM 0 HB3 SER A 14 -3.239 8.617 -10.852 1.00 0.24 H new ATOM 0 HG SER A 14 -0.836 7.863 -10.349 1.00 1.12 H new ATOM 846 N THR A 15 -5.222 7.656 -8.459 1.00 0.25 N ATOM 847 CA THR A 15 -6.627 7.308 -8.318 1.00 0.28 C ATOM 848 C THR A 15 -7.211 8.002 -7.087 1.00 0.30 C ATOM 849 O THR A 15 -8.381 8.377 -7.059 1.00 0.33 O ATOM 850 CB THR A 15 -6.788 5.777 -8.204 1.00 0.28 C ATOM 851 OG1 THR A 15 -6.204 5.145 -9.354 1.00 0.34 O ATOM 852 CG2 THR A 15 -8.247 5.365 -8.085 1.00 0.26 C ATOM 0 H THR A 15 -4.584 6.866 -8.359 1.00 0.25 H new ATOM 0 HA THR A 15 -7.169 7.645 -9.201 1.00 0.28 H new ATOM 0 HB THR A 15 -6.277 5.457 -7.296 1.00 0.28 H new ATOM 0 HG1 THR A 15 -6.857 4.537 -9.760 1.00 0.34 H new ATOM 0 HG21 THR A 15 -8.313 4.280 -8.007 1.00 0.26 H new ATOM 0 HG22 THR A 15 -8.682 5.820 -7.195 1.00 0.26 H new ATOM 0 HG23 THR A 15 -8.793 5.700 -8.967 1.00 0.26 H new ATOM 860 N PHE A 16 -6.361 8.188 -6.085 1.00 0.31 N ATOM 861 CA PHE A 16 -6.710 8.935 -4.881 1.00 0.37 C ATOM 862 C PHE A 16 -7.273 10.304 -5.243 1.00 0.42 C ATOM 863 O PHE A 16 -8.454 10.570 -5.035 1.00 0.54 O ATOM 864 CB PHE A 16 -5.456 9.096 -4.029 1.00 0.45 C ATOM 865 CG PHE A 16 -5.647 9.771 -2.709 1.00 0.36 C ATOM 866 CD1 PHE A 16 -6.134 9.069 -1.626 1.00 1.24 C ATOM 867 CD2 PHE A 16 -5.308 11.100 -2.549 1.00 1.26 C ATOM 868 CE1 PHE A 16 -6.284 9.682 -0.401 1.00 1.39 C ATOM 869 CE2 PHE A 16 -5.459 11.719 -1.331 1.00 1.43 C ATOM 870 CZ PHE A 16 -5.947 11.008 -0.254 1.00 0.99 C ATOM 0 H PHE A 16 -5.408 7.825 -6.083 1.00 0.31 H new ATOM 0 HA PHE A 16 -7.474 8.392 -4.325 1.00 0.37 H new ATOM 0 HB2 PHE A 16 -5.031 8.108 -3.852 1.00 0.45 H new ATOM 0 HB3 PHE A 16 -4.721 9.662 -4.602 1.00 0.45 H new ATOM 0 HD1 PHE A 16 -6.400 8.029 -1.739 1.00 1.24 H new ATOM 0 HD2 PHE A 16 -4.921 11.658 -3.389 1.00 1.26 H new ATOM 0 HE1 PHE A 16 -6.665 9.123 0.441 1.00 1.39 H new ATOM 0 HE2 PHE A 16 -5.196 12.760 -1.217 1.00 1.43 H new ATOM 0 HZ PHE A 16 -6.064 11.492 0.704 1.00 0.99 H new ATOM 880 N HIS A 17 -6.422 11.140 -5.840 1.00 0.44 N ATOM 881 CA HIS A 17 -6.783 12.517 -6.191 1.00 0.54 C ATOM 882 C HIS A 17 -7.982 12.556 -7.135 1.00 0.47 C ATOM 883 O HIS A 17 -8.722 13.541 -7.176 1.00 0.52 O ATOM 884 CB HIS A 17 -5.600 13.226 -6.862 1.00 0.72 C ATOM 885 CG HIS A 17 -4.501 13.648 -5.930 1.00 1.09 C ATOM 886 ND1 HIS A 17 -3.937 14.900 -5.965 1.00 2.16 N ATOM 887 CD2 HIS A 17 -3.843 12.975 -4.953 1.00 1.23 C ATOM 888 CE1 HIS A 17 -2.987 14.981 -5.058 1.00 2.80 C ATOM 889 NE2 HIS A 17 -2.907 13.828 -4.421 1.00 2.27 N ATOM 0 H HIS A 17 -5.468 10.885 -6.093 1.00 0.44 H new ATOM 0 HA HIS A 17 -7.046 13.029 -5.265 1.00 0.54 H new ATOM 0 HB2 HIS A 17 -5.180 12.563 -7.618 1.00 0.72 H new ATOM 0 HB3 HIS A 17 -5.973 14.108 -7.383 1.00 0.72 H new ATOM 0 HD2 HIS A 17 -4.022 11.954 -4.649 1.00 1.23 H new ATOM 0 HE1 HIS A 17 -2.373 15.849 -4.866 1.00 2.80 H new ATOM 0 HE2 HIS A 17 -2.261 13.608 -3.663 1.00 2.27 H new ATOM 898 N LYS A 18 -8.165 11.481 -7.883 1.00 0.43 N ATOM 899 CA LYS A 18 -9.202 11.410 -8.897 1.00 0.46 C ATOM 900 C LYS A 18 -10.595 11.284 -8.275 1.00 0.44 C ATOM 901 O LYS A 18 -11.570 11.809 -8.812 1.00 0.62 O ATOM 902 CB LYS A 18 -8.925 10.220 -9.814 1.00 0.55 C ATOM 903 CG LYS A 18 -9.842 10.140 -11.020 1.00 0.77 C ATOM 904 CD LYS A 18 -9.532 8.917 -11.862 1.00 0.73 C ATOM 905 CE LYS A 18 -10.385 8.876 -13.114 1.00 1.41 C ATOM 906 NZ LYS A 18 -10.086 10.014 -14.023 1.00 1.69 N ATOM 0 H LYS A 18 -7.600 10.635 -7.804 1.00 0.43 H new ATOM 0 HA LYS A 18 -9.185 12.336 -9.472 1.00 0.46 H new ATOM 0 HB2 LYS A 18 -7.892 10.274 -10.159 1.00 0.55 H new ATOM 0 HB3 LYS A 18 -9.021 9.300 -9.237 1.00 0.55 H new ATOM 0 HG2 LYS A 18 -10.880 10.104 -10.690 1.00 0.77 H new ATOM 0 HG3 LYS A 18 -9.731 11.040 -11.625 1.00 0.77 H new ATOM 0 HD2 LYS A 18 -8.478 8.922 -12.138 1.00 0.73 H new ATOM 0 HD3 LYS A 18 -9.703 8.016 -11.274 1.00 0.73 H new ATOM 0 HE2 LYS A 18 -10.214 7.936 -13.640 1.00 1.41 H new ATOM 0 HE3 LYS A 18 -11.439 8.899 -12.837 1.00 1.41 H new ATOM 0 HZ1 LYS A 18 -10.489 9.823 -14.963 1.00 1.69 H new ATOM 0 HZ2 LYS A 18 -10.504 10.885 -13.638 1.00 1.69 H new ATOM 0 HZ3 LYS A 18 -9.056 10.131 -14.105 1.00 1.69 H new ATOM 920 N TYR A 19 -10.690 10.594 -7.146 1.00 0.37 N ATOM 921 CA TYR A 19 -11.992 10.317 -6.546 1.00 0.41 C ATOM 922 C TYR A 19 -12.210 11.088 -5.247 1.00 0.48 C ATOM 923 O TYR A 19 -13.343 11.401 -4.904 1.00 0.73 O ATOM 924 CB TYR A 19 -12.169 8.815 -6.300 1.00 0.43 C ATOM 925 CG TYR A 19 -12.180 7.983 -7.567 1.00 0.38 C ATOM 926 CD1 TYR A 19 -10.995 7.635 -8.196 1.00 1.18 C ATOM 927 CD2 TYR A 19 -13.371 7.544 -8.133 1.00 1.14 C ATOM 928 CE1 TYR A 19 -10.989 6.878 -9.347 1.00 1.21 C ATOM 929 CE2 TYR A 19 -13.374 6.784 -9.290 1.00 1.14 C ATOM 930 CZ TYR A 19 -12.176 6.454 -9.892 1.00 0.48 C ATOM 931 OH TYR A 19 -12.163 5.695 -11.041 1.00 0.59 O ATOM 0 H TYR A 19 -9.893 10.219 -6.631 1.00 0.37 H new ATOM 0 HA TYR A 19 -12.744 10.656 -7.259 1.00 0.41 H new ATOM 0 HB2 TYR A 19 -11.364 8.465 -5.654 1.00 0.43 H new ATOM 0 HB3 TYR A 19 -13.103 8.652 -5.762 1.00 0.43 H new ATOM 0 HD1 TYR A 19 -10.057 7.964 -7.775 1.00 1.18 H new ATOM 0 HD2 TYR A 19 -14.309 7.800 -7.663 1.00 1.14 H new ATOM 0 HE1 TYR A 19 -10.053 6.619 -9.820 1.00 1.21 H new ATOM 0 HE2 TYR A 19 -14.308 6.451 -9.719 1.00 1.14 H new ATOM 0 HH TYR A 19 -11.297 5.244 -11.125 1.00 0.59 H new ATOM 941 N SER A 20 -11.136 11.400 -4.528 1.00 0.38 N ATOM 942 CA SER A 20 -11.259 12.107 -3.254 1.00 0.45 C ATOM 943 C SER A 20 -11.758 13.532 -3.472 1.00 0.54 C ATOM 944 O SER A 20 -12.729 13.970 -2.851 1.00 0.68 O ATOM 945 CB SER A 20 -9.909 12.122 -2.528 1.00 0.47 C ATOM 946 OG SER A 20 -8.899 12.659 -3.368 1.00 0.52 O ATOM 0 H SER A 20 -10.179 11.178 -4.801 1.00 0.38 H new ATOM 0 HA SER A 20 -11.987 11.581 -2.637 1.00 0.45 H new ATOM 0 HB2 SER A 20 -9.986 12.715 -1.617 1.00 0.47 H new ATOM 0 HB3 SER A 20 -9.640 11.109 -2.227 1.00 0.47 H new ATOM 0 HG SER A 20 -8.637 11.989 -4.034 1.00 0.52 H new ATOM 952 N GLY A 21 -11.109 14.240 -4.389 1.00 0.54 N ATOM 953 CA GLY A 21 -11.462 15.621 -4.661 1.00 0.65 C ATOM 954 C GLY A 21 -12.681 15.746 -5.552 1.00 0.68 C ATOM 955 O GLY A 21 -12.719 16.590 -6.448 1.00 0.82 O ATOM 0 H GLY A 21 -10.339 13.879 -4.953 1.00 0.54 H new ATOM 0 HA2 GLY A 21 -11.651 16.136 -3.719 1.00 0.65 H new ATOM 0 HA3 GLY A 21 -10.617 16.122 -5.135 1.00 0.65 H new ATOM 959 N LYS A 22 -13.669 14.898 -5.319 1.00 0.70 N ATOM 960 CA LYS A 22 -14.907 14.945 -6.067 1.00 0.76 C ATOM 961 C LYS A 22 -16.015 15.531 -5.202 1.00 0.85 C ATOM 962 O LYS A 22 -16.502 16.629 -5.469 1.00 0.93 O ATOM 963 CB LYS A 22 -15.272 13.544 -6.557 1.00 0.78 C ATOM 964 CG LYS A 22 -16.563 13.487 -7.350 1.00 1.19 C ATOM 965 CD LYS A 22 -16.712 12.159 -8.072 1.00 1.26 C ATOM 966 CE LYS A 22 -15.580 11.942 -9.062 1.00 1.71 C ATOM 967 NZ LYS A 22 -15.876 10.851 -10.025 1.00 2.08 N ATOM 0 H LYS A 22 -13.633 14.164 -4.611 1.00 0.70 H new ATOM 0 HA LYS A 22 -14.781 15.588 -6.938 1.00 0.76 H new ATOM 0 HB2 LYS A 22 -14.460 13.163 -7.176 1.00 0.78 H new ATOM 0 HB3 LYS A 22 -15.356 12.879 -5.697 1.00 0.78 H new ATOM 0 HG2 LYS A 22 -17.410 13.636 -6.680 1.00 1.19 H new ATOM 0 HG3 LYS A 22 -16.583 14.301 -8.075 1.00 1.19 H new ATOM 0 HD2 LYS A 22 -16.724 11.346 -7.346 1.00 1.26 H new ATOM 0 HD3 LYS A 22 -17.667 12.132 -8.596 1.00 1.26 H new ATOM 0 HE2 LYS A 22 -15.396 12.867 -9.609 1.00 1.71 H new ATOM 0 HE3 LYS A 22 -14.665 11.706 -8.519 1.00 1.71 H new ATOM 0 HZ1 LYS A 22 -15.141 10.829 -10.761 1.00 2.08 H new ATOM 0 HZ2 LYS A 22 -15.892 9.940 -9.523 1.00 2.08 H new ATOM 0 HZ3 LYS A 22 -16.803 11.019 -10.466 1.00 2.08 H new ATOM 981 N GLU A 23 -16.394 14.808 -4.159 1.00 0.96 N ATOM 982 CA GLU A 23 -17.425 15.272 -3.237 1.00 1.13 C ATOM 983 C GLU A 23 -16.834 15.536 -1.853 1.00 1.24 C ATOM 984 O GLU A 23 -17.563 15.750 -0.881 1.00 1.56 O ATOM 985 CB GLU A 23 -18.553 14.243 -3.138 1.00 1.44 C ATOM 986 CG GLU A 23 -19.265 13.986 -4.457 1.00 1.91 C ATOM 987 CD GLU A 23 -19.930 15.227 -5.011 1.00 2.47 C ATOM 988 OE1 GLU A 23 -20.821 15.780 -4.334 1.00 2.94 O ATOM 989 OE2 GLU A 23 -19.574 15.652 -6.131 1.00 3.12 O ATOM 0 H GLU A 23 -16.003 13.895 -3.928 1.00 0.96 H new ATOM 0 HA GLU A 23 -17.832 16.206 -3.624 1.00 1.13 H new ATOM 0 HB2 GLU A 23 -18.144 13.303 -2.767 1.00 1.44 H new ATOM 0 HB3 GLU A 23 -19.281 14.585 -2.403 1.00 1.44 H new ATOM 0 HG2 GLU A 23 -18.548 13.607 -5.185 1.00 1.91 H new ATOM 0 HG3 GLU A 23 -20.016 13.209 -4.315 1.00 1.91 H new ATOM 996 N GLY A 24 -15.513 15.519 -1.770 1.00 1.31 N ATOM 997 CA GLY A 24 -14.842 15.786 -0.516 1.00 1.56 C ATOM 998 C GLY A 24 -13.511 16.476 -0.726 1.00 1.32 C ATOM 999 O GLY A 24 -13.269 17.046 -1.794 1.00 1.41 O ATOM 0 H GLY A 24 -14.890 15.324 -2.554 1.00 1.31 H new ATOM 0 HA2 GLY A 24 -15.479 16.409 0.112 1.00 1.56 H new ATOM 0 HA3 GLY A 24 -14.685 14.849 0.019 1.00 1.56 H new ATOM 1003 N ASP A 25 -12.652 16.437 0.287 1.00 1.15 N ATOM 1004 CA ASP A 25 -11.310 17.006 0.174 1.00 1.05 C ATOM 1005 C ASP A 25 -10.499 16.200 -0.825 1.00 0.89 C ATOM 1006 O ASP A 25 -10.711 15.000 -0.970 1.00 0.91 O ATOM 1007 CB ASP A 25 -10.577 17.005 1.521 1.00 1.15 C ATOM 1008 CG ASP A 25 -11.310 17.756 2.610 1.00 1.30 C ATOM 1009 OD1 ASP A 25 -11.359 19.002 2.553 1.00 1.80 O ATOM 1010 OD2 ASP A 25 -11.837 17.097 3.537 1.00 1.94 O ATOM 0 H ASP A 25 -12.858 16.019 1.194 1.00 1.15 H new ATOM 0 HA ASP A 25 -11.416 18.038 -0.160 1.00 1.05 H new ATOM 0 HB2 ASP A 25 -10.425 15.974 1.841 1.00 1.15 H new ATOM 0 HB3 ASP A 25 -9.589 17.447 1.388 1.00 1.15 H new ATOM 1015 N LYS A 26 -9.544 16.841 -1.480 1.00 0.93 N ATOM 1016 CA LYS A 26 -8.743 16.173 -2.502 1.00 0.87 C ATOM 1017 C LYS A 26 -7.800 15.131 -1.885 1.00 0.82 C ATOM 1018 O LYS A 26 -7.054 14.453 -2.594 1.00 0.88 O ATOM 1019 CB LYS A 26 -7.976 17.199 -3.356 1.00 1.07 C ATOM 1020 CG LYS A 26 -7.065 18.151 -2.578 1.00 1.37 C ATOM 1021 CD LYS A 26 -5.748 17.509 -2.171 1.00 1.56 C ATOM 1022 CE LYS A 26 -4.857 17.219 -3.370 1.00 1.77 C ATOM 1023 NZ LYS A 26 -4.570 18.443 -4.165 1.00 2.57 N ATOM 0 H LYS A 26 -9.303 17.820 -1.325 1.00 0.93 H new ATOM 0 HA LYS A 26 -9.424 15.636 -3.162 1.00 0.87 H new ATOM 0 HB2 LYS A 26 -7.371 16.660 -4.085 1.00 1.07 H new ATOM 0 HB3 LYS A 26 -8.698 17.792 -3.917 1.00 1.07 H new ATOM 0 HG2 LYS A 26 -6.861 19.031 -3.188 1.00 1.37 H new ATOM 0 HG3 LYS A 26 -7.586 18.496 -1.685 1.00 1.37 H new ATOM 0 HD2 LYS A 26 -5.222 18.168 -1.480 1.00 1.56 H new ATOM 0 HD3 LYS A 26 -5.948 16.581 -1.636 1.00 1.56 H new ATOM 0 HE2 LYS A 26 -3.919 16.783 -3.027 1.00 1.77 H new ATOM 0 HE3 LYS A 26 -5.339 16.478 -4.008 1.00 1.77 H new ATOM 0 HZ1 LYS A 26 -3.564 18.457 -4.430 1.00 2.57 H new ATOM 0 HZ2 LYS A 26 -5.155 18.443 -5.025 1.00 2.57 H new ATOM 0 HZ3 LYS A 26 -4.790 19.286 -3.597 1.00 2.57 H new ATOM 1037 N PHE A 27 -7.850 15.005 -0.568 1.00 0.78 N ATOM 1038 CA PHE A 27 -7.114 13.970 0.142 1.00 0.78 C ATOM 1039 C PHE A 27 -8.032 13.222 1.104 1.00 0.69 C ATOM 1040 O PHE A 27 -7.572 12.478 1.970 1.00 0.68 O ATOM 1041 CB PHE A 27 -5.896 14.544 0.881 1.00 0.98 C ATOM 1042 CG PHE A 27 -6.168 15.782 1.686 1.00 0.66 C ATOM 1043 CD1 PHE A 27 -6.995 15.744 2.797 1.00 1.53 C ATOM 1044 CD2 PHE A 27 -5.580 16.984 1.330 1.00 1.57 C ATOM 1045 CE1 PHE A 27 -7.233 16.883 3.539 1.00 2.32 C ATOM 1046 CE2 PHE A 27 -5.817 18.130 2.069 1.00 2.34 C ATOM 1047 CZ PHE A 27 -6.645 18.078 3.174 1.00 2.54 C ATOM 0 H PHE A 27 -8.400 15.615 0.037 1.00 0.78 H new ATOM 0 HA PHE A 27 -6.740 13.263 -0.599 1.00 0.78 H new ATOM 0 HB2 PHE A 27 -5.498 13.777 1.545 1.00 0.98 H new ATOM 0 HB3 PHE A 27 -5.119 14.767 0.150 1.00 0.98 H new ATOM 0 HD1 PHE A 27 -7.459 14.812 3.086 1.00 1.53 H new ATOM 0 HD2 PHE A 27 -4.931 17.028 0.468 1.00 1.57 H new ATOM 0 HE1 PHE A 27 -7.878 16.840 4.404 1.00 2.32 H new ATOM 0 HE2 PHE A 27 -5.355 19.063 1.782 1.00 2.34 H new ATOM 0 HZ PHE A 27 -6.832 18.971 3.752 1.00 2.54 H new ATOM 1057 N LYS A 28 -9.331 13.427 0.952 1.00 0.67 N ATOM 1058 CA LYS A 28 -10.300 12.836 1.859 1.00 0.64 C ATOM 1059 C LYS A 28 -11.370 12.078 1.091 1.00 0.48 C ATOM 1060 O LYS A 28 -12.091 12.657 0.283 1.00 0.54 O ATOM 1061 CB LYS A 28 -10.966 13.937 2.683 1.00 0.87 C ATOM 1062 CG LYS A 28 -11.511 13.476 4.017 1.00 1.00 C ATOM 1063 CD LYS A 28 -10.389 13.298 5.016 1.00 1.04 C ATOM 1064 CE LYS A 28 -9.651 14.608 5.272 1.00 1.55 C ATOM 1065 NZ LYS A 28 -10.575 15.734 5.591 1.00 2.03 N ATOM 0 H LYS A 28 -9.737 13.997 0.210 1.00 0.67 H new ATOM 0 HA LYS A 28 -9.776 12.139 2.513 1.00 0.64 H new ATOM 0 HB2 LYS A 28 -10.242 14.733 2.856 1.00 0.87 H new ATOM 0 HB3 LYS A 28 -11.781 14.368 2.101 1.00 0.87 H new ATOM 0 HG2 LYS A 28 -12.229 14.204 4.394 1.00 1.00 H new ATOM 0 HG3 LYS A 28 -12.047 12.535 3.892 1.00 1.00 H new ATOM 0 HD2 LYS A 28 -10.794 12.918 5.954 1.00 1.04 H new ATOM 0 HD3 LYS A 28 -9.687 12.551 4.646 1.00 1.04 H new ATOM 0 HE2 LYS A 28 -8.952 14.472 6.097 1.00 1.55 H new ATOM 0 HE3 LYS A 28 -9.060 14.866 4.393 1.00 1.55 H new ATOM 0 HZ1 LYS A 28 -10.049 16.488 6.077 1.00 2.03 H new ATOM 0 HZ2 LYS A 28 -10.983 16.108 4.711 1.00 2.03 H new ATOM 0 HZ3 LYS A 28 -11.339 15.392 6.208 1.00 2.03 H new ATOM 1079 N LEU A 29 -11.473 10.789 1.351 1.00 0.36 N ATOM 1080 CA LEU A 29 -12.499 9.976 0.721 1.00 0.32 C ATOM 1081 C LEU A 29 -13.528 9.527 1.746 1.00 0.34 C ATOM 1082 O LEU A 29 -13.212 8.779 2.673 1.00 0.40 O ATOM 1083 CB LEU A 29 -11.900 8.747 0.024 1.00 0.30 C ATOM 1084 CG LEU A 29 -10.980 9.037 -1.163 1.00 0.30 C ATOM 1085 CD1 LEU A 29 -9.551 9.279 -0.698 1.00 0.32 C ATOM 1086 CD2 LEU A 29 -11.035 7.896 -2.165 1.00 0.33 C ATOM 0 H LEU A 29 -10.862 10.282 1.992 1.00 0.36 H new ATOM 0 HA LEU A 29 -12.984 10.595 -0.034 1.00 0.32 H new ATOM 0 HB2 LEU A 29 -11.340 8.172 0.761 1.00 0.30 H new ATOM 0 HB3 LEU A 29 -12.718 8.114 -0.320 1.00 0.30 H new ATOM 0 HG LEU A 29 -11.330 9.945 -1.654 1.00 0.30 H new ATOM 0 HD11 LEU A 29 -8.917 9.483 -1.561 1.00 0.32 H new ATOM 0 HD12 LEU A 29 -9.528 10.133 -0.021 1.00 0.32 H new ATOM 0 HD13 LEU A 29 -9.183 8.394 -0.178 1.00 0.32 H new ATOM 0 HD21 LEU A 29 -10.375 8.117 -3.004 1.00 0.33 H new ATOM 0 HD22 LEU A 29 -10.713 6.973 -1.683 1.00 0.33 H new ATOM 0 HD23 LEU A 29 -12.056 7.779 -2.527 1.00 0.33 H new ATOM 1098 N ASN A 30 -14.752 10.011 1.597 1.00 0.35 N ATOM 1099 CA ASN A 30 -15.857 9.533 2.415 1.00 0.35 C ATOM 1100 C ASN A 30 -16.419 8.257 1.800 1.00 0.31 C ATOM 1101 O ASN A 30 -15.836 7.716 0.854 1.00 0.29 O ATOM 1102 CB ASN A 30 -16.963 10.596 2.544 1.00 0.41 C ATOM 1103 CG ASN A 30 -17.739 10.808 1.255 1.00 0.62 C ATOM 1104 OD1 ASN A 30 -18.738 10.134 0.997 1.00 1.20 O ATOM 1105 ND2 ASN A 30 -17.296 11.752 0.445 1.00 0.63 N ATOM 0 H ASN A 30 -15.005 10.731 0.920 1.00 0.35 H new ATOM 0 HA ASN A 30 -15.484 9.326 3.418 1.00 0.35 H new ATOM 0 HB2 ASN A 30 -17.654 10.299 3.333 1.00 0.41 H new ATOM 0 HB3 ASN A 30 -16.516 11.541 2.852 1.00 0.41 H new ATOM 0 HD21 ASN A 30 -17.785 11.944 -0.429 1.00 0.63 H new ATOM 0 HD22 ASN A 30 -16.465 12.289 0.694 1.00 0.63 H new ATOM 1112 N LYS A 31 -17.537 7.782 2.344 1.00 0.32 N ATOM 1113 CA LYS A 31 -18.210 6.581 1.843 1.00 0.31 C ATOM 1114 C LYS A 31 -18.280 6.557 0.316 1.00 0.30 C ATOM 1115 O LYS A 31 -17.863 5.591 -0.321 1.00 0.31 O ATOM 1116 CB LYS A 31 -19.642 6.502 2.375 1.00 0.35 C ATOM 1117 CG LYS A 31 -19.771 6.496 3.887 1.00 0.45 C ATOM 1118 CD LYS A 31 -21.238 6.451 4.290 1.00 0.56 C ATOM 1119 CE LYS A 31 -21.420 6.444 5.799 1.00 1.22 C ATOM 1120 NZ LYS A 31 -20.929 5.185 6.417 1.00 1.70 N ATOM 0 H LYS A 31 -18.002 8.215 3.142 1.00 0.32 H new ATOM 0 HA LYS A 31 -17.621 5.733 2.191 1.00 0.31 H new ATOM 0 HB2 LYS A 31 -20.206 7.348 1.982 1.00 0.35 H new ATOM 0 HB3 LYS A 31 -20.109 5.598 1.983 1.00 0.35 H new ATOM 0 HG2 LYS A 31 -19.246 5.635 4.300 1.00 0.45 H new ATOM 0 HG3 LYS A 31 -19.299 7.386 4.303 1.00 0.45 H new ATOM 0 HD2 LYS A 31 -21.755 7.312 3.868 1.00 0.56 H new ATOM 0 HD3 LYS A 31 -21.702 5.561 3.866 1.00 0.56 H new ATOM 0 HE2 LYS A 31 -20.887 7.291 6.232 1.00 1.22 H new ATOM 0 HE3 LYS A 31 -22.476 6.576 6.037 1.00 1.22 H new ATOM 0 HZ1 LYS A 31 -21.150 5.188 7.433 1.00 1.70 H new ATOM 0 HZ2 LYS A 31 -21.394 4.372 5.964 1.00 1.70 H new ATOM 0 HZ3 LYS A 31 -19.900 5.113 6.286 1.00 1.70 H new ATOM 1134 N SER A 32 -18.800 7.635 -0.261 1.00 0.32 N ATOM 1135 CA SER A 32 -19.083 7.686 -1.689 1.00 0.34 C ATOM 1136 C SER A 32 -17.801 7.691 -2.520 1.00 0.31 C ATOM 1137 O SER A 32 -17.727 7.027 -3.556 1.00 0.34 O ATOM 1138 CB SER A 32 -19.928 8.924 -2.011 1.00 0.43 C ATOM 1139 OG SER A 32 -20.367 8.917 -3.361 1.00 1.29 O ATOM 0 H SER A 32 -19.035 8.490 0.243 1.00 0.32 H new ATOM 0 HA SER A 32 -19.642 6.787 -1.951 1.00 0.34 H new ATOM 0 HB2 SER A 32 -20.791 8.959 -1.347 1.00 0.43 H new ATOM 0 HB3 SER A 32 -19.343 9.824 -1.822 1.00 0.43 H new ATOM 0 HG SER A 32 -20.904 9.718 -3.534 1.00 1.29 H new ATOM 1145 N GLU A 33 -16.785 8.410 -2.052 1.00 0.30 N ATOM 1146 CA GLU A 33 -15.567 8.586 -2.825 1.00 0.31 C ATOM 1147 C GLU A 33 -14.824 7.268 -2.894 1.00 0.26 C ATOM 1148 O GLU A 33 -14.333 6.864 -3.950 1.00 0.27 O ATOM 1149 CB GLU A 33 -14.670 9.656 -2.195 1.00 0.37 C ATOM 1150 CG GLU A 33 -15.403 10.931 -1.798 1.00 0.51 C ATOM 1151 CD GLU A 33 -16.319 11.470 -2.883 1.00 0.88 C ATOM 1152 OE1 GLU A 33 -15.851 12.252 -3.729 1.00 1.68 O ATOM 1153 OE2 GLU A 33 -17.521 11.122 -2.874 1.00 1.46 O ATOM 0 H GLU A 33 -16.784 8.877 -1.145 1.00 0.30 H new ATOM 0 HA GLU A 33 -15.833 8.914 -3.830 1.00 0.31 H new ATOM 0 HB2 GLU A 33 -14.189 9.237 -1.311 1.00 0.37 H new ATOM 0 HB3 GLU A 33 -13.877 9.910 -2.899 1.00 0.37 H new ATOM 0 HG2 GLU A 33 -15.991 10.737 -0.901 1.00 0.51 H new ATOM 0 HG3 GLU A 33 -14.670 11.696 -1.540 1.00 0.51 H new ATOM 1160 N LEU A 34 -14.763 6.593 -1.756 1.00 0.23 N ATOM 1161 CA LEU A 34 -14.154 5.282 -1.679 1.00 0.20 C ATOM 1162 C LEU A 34 -14.941 4.275 -2.489 1.00 0.20 C ATOM 1163 O LEU A 34 -14.366 3.507 -3.258 1.00 0.23 O ATOM 1164 CB LEU A 34 -14.061 4.824 -0.230 1.00 0.18 C ATOM 1165 CG LEU A 34 -12.811 5.287 0.502 1.00 0.18 C ATOM 1166 CD1 LEU A 34 -12.928 4.987 1.978 1.00 0.21 C ATOM 1167 CD2 LEU A 34 -11.589 4.613 -0.092 1.00 0.18 C ATOM 0 H LEU A 34 -15.132 6.938 -0.870 1.00 0.23 H new ATOM 0 HA LEU A 34 -13.149 5.351 -2.094 1.00 0.20 H new ATOM 0 HB2 LEU A 34 -14.937 5.186 0.309 1.00 0.18 H new ATOM 0 HB3 LEU A 34 -14.099 3.735 -0.204 1.00 0.18 H new ATOM 0 HG LEU A 34 -12.704 6.365 0.384 1.00 0.18 H new ATOM 0 HD11 LEU A 34 -12.027 5.323 2.490 1.00 0.21 H new ATOM 0 HD12 LEU A 34 -13.794 5.507 2.388 1.00 0.21 H new ATOM 0 HD13 LEU A 34 -13.048 3.913 2.123 1.00 0.21 H new ATOM 0 HD21 LEU A 34 -10.696 4.948 0.436 1.00 0.18 H new ATOM 0 HD22 LEU A 34 -11.685 3.532 0.008 1.00 0.18 H new ATOM 0 HD23 LEU A 34 -11.506 4.874 -1.147 1.00 0.18 H new ATOM 1179 N LYS A 35 -16.258 4.288 -2.330 1.00 0.23 N ATOM 1180 CA LYS A 35 -17.105 3.337 -3.027 1.00 0.29 C ATOM 1181 C LYS A 35 -16.910 3.438 -4.526 1.00 0.25 C ATOM 1182 O LYS A 35 -16.671 2.433 -5.181 1.00 0.27 O ATOM 1183 CB LYS A 35 -18.579 3.527 -2.668 1.00 0.42 C ATOM 1184 CG LYS A 35 -19.484 2.479 -3.300 1.00 0.60 C ATOM 1185 CD LYS A 35 -20.822 2.386 -2.587 1.00 0.71 C ATOM 1186 CE LYS A 35 -21.644 3.638 -2.788 1.00 0.53 C ATOM 1187 NZ LYS A 35 -22.905 3.610 -2.005 1.00 0.89 N ATOM 0 H LYS A 35 -16.758 4.943 -1.728 1.00 0.23 H new ATOM 0 HA LYS A 35 -16.808 2.339 -2.703 1.00 0.29 H new ATOM 0 HB2 LYS A 35 -18.691 3.490 -1.584 1.00 0.42 H new ATOM 0 HB3 LYS A 35 -18.901 4.518 -2.988 1.00 0.42 H new ATOM 0 HG2 LYS A 35 -19.647 2.725 -4.349 1.00 0.60 H new ATOM 0 HG3 LYS A 35 -18.990 1.508 -3.273 1.00 0.60 H new ATOM 0 HD2 LYS A 35 -21.374 1.523 -2.959 1.00 0.71 H new ATOM 0 HD3 LYS A 35 -20.657 2.224 -1.522 1.00 0.71 H new ATOM 0 HE2 LYS A 35 -21.056 4.508 -2.496 1.00 0.53 H new ATOM 0 HE3 LYS A 35 -21.878 3.752 -3.847 1.00 0.53 H new ATOM 0 HZ1 LYS A 35 -23.239 4.583 -1.850 1.00 0.89 H new ATOM 0 HZ2 LYS A 35 -23.627 3.076 -2.529 1.00 0.89 H new ATOM 0 HZ3 LYS A 35 -22.734 3.152 -1.087 1.00 0.89 H new ATOM 1201 N GLU A 36 -16.981 4.647 -5.060 1.00 0.25 N ATOM 1202 CA GLU A 36 -16.807 4.840 -6.489 1.00 0.28 C ATOM 1203 C GLU A 36 -15.424 4.356 -6.916 1.00 0.28 C ATOM 1204 O GLU A 36 -15.284 3.657 -7.920 1.00 0.34 O ATOM 1205 CB GLU A 36 -16.983 6.305 -6.862 1.00 0.32 C ATOM 1206 CG GLU A 36 -17.408 6.504 -8.303 1.00 0.66 C ATOM 1207 CD GLU A 36 -17.410 7.959 -8.715 1.00 0.77 C ATOM 1208 OE1 GLU A 36 -18.400 8.665 -8.427 1.00 1.28 O ATOM 1209 OE2 GLU A 36 -16.424 8.402 -9.334 1.00 1.49 O ATOM 0 H GLU A 36 -17.156 5.501 -4.531 1.00 0.25 H new ATOM 0 HA GLU A 36 -17.568 4.259 -7.010 1.00 0.28 H new ATOM 0 HB2 GLU A 36 -17.727 6.754 -6.204 1.00 0.32 H new ATOM 0 HB3 GLU A 36 -16.045 6.833 -6.690 1.00 0.32 H new ATOM 0 HG2 GLU A 36 -16.736 5.947 -8.956 1.00 0.66 H new ATOM 0 HG3 GLU A 36 -18.406 6.089 -8.444 1.00 0.66 H new ATOM 1216 N LEU A 37 -14.419 4.711 -6.128 1.00 0.25 N ATOM 1217 CA LEU A 37 -13.048 4.263 -6.353 1.00 0.27 C ATOM 1218 C LEU A 37 -12.997 2.748 -6.475 1.00 0.23 C ATOM 1219 O LEU A 37 -12.475 2.206 -7.453 1.00 0.24 O ATOM 1220 CB LEU A 37 -12.172 4.743 -5.194 1.00 0.32 C ATOM 1221 CG LEU A 37 -10.667 4.579 -5.382 1.00 0.40 C ATOM 1222 CD1 LEU A 37 -9.963 5.888 -5.069 1.00 0.33 C ATOM 1223 CD2 LEU A 37 -10.140 3.469 -4.487 1.00 0.74 C ATOM 0 H LEU A 37 -14.529 5.317 -5.315 1.00 0.25 H new ATOM 0 HA LEU A 37 -12.674 4.685 -7.286 1.00 0.27 H new ATOM 0 HB2 LEU A 37 -12.383 5.798 -5.017 1.00 0.32 H new ATOM 0 HB3 LEU A 37 -12.467 4.204 -4.294 1.00 0.32 H new ATOM 0 HG LEU A 37 -10.468 4.309 -6.419 1.00 0.40 H new ATOM 0 HD11 LEU A 37 -8.889 5.765 -5.205 1.00 0.33 H new ATOM 0 HD12 LEU A 37 -10.327 6.666 -5.740 1.00 0.33 H new ATOM 0 HD13 LEU A 37 -10.168 6.174 -4.037 1.00 0.33 H new ATOM 0 HD21 LEU A 37 -9.065 3.364 -4.632 1.00 0.74 H new ATOM 0 HD22 LEU A 37 -10.343 3.715 -3.445 1.00 0.74 H new ATOM 0 HD23 LEU A 37 -10.634 2.531 -4.741 1.00 0.74 H new ATOM 1235 N LEU A 38 -13.578 2.072 -5.497 1.00 0.20 N ATOM 1236 CA LEU A 38 -13.609 0.621 -5.483 1.00 0.20 C ATOM 1237 C LEU A 38 -14.474 0.067 -6.615 1.00 0.22 C ATOM 1238 O LEU A 38 -14.079 -0.871 -7.290 1.00 0.24 O ATOM 1239 CB LEU A 38 -14.094 0.113 -4.121 1.00 0.19 C ATOM 1240 CG LEU A 38 -13.024 0.077 -3.024 1.00 0.18 C ATOM 1241 CD1 LEU A 38 -13.411 0.966 -1.856 1.00 0.19 C ATOM 1242 CD2 LEU A 38 -12.798 -1.350 -2.548 1.00 0.21 C ATOM 0 H LEU A 38 -14.037 2.510 -4.698 1.00 0.20 H new ATOM 0 HA LEU A 38 -12.593 0.260 -5.646 1.00 0.20 H new ATOM 0 HB2 LEU A 38 -14.915 0.746 -3.786 1.00 0.19 H new ATOM 0 HB3 LEU A 38 -14.497 -0.892 -4.247 1.00 0.19 H new ATOM 0 HG LEU A 38 -12.094 0.457 -3.448 1.00 0.18 H new ATOM 0 HD11 LEU A 38 -12.635 0.922 -1.092 1.00 0.19 H new ATOM 0 HD12 LEU A 38 -13.522 1.994 -2.202 1.00 0.19 H new ATOM 0 HD13 LEU A 38 -14.355 0.622 -1.434 1.00 0.19 H new ATOM 0 HD21 LEU A 38 -12.035 -1.357 -1.769 1.00 0.21 H new ATOM 0 HD22 LEU A 38 -13.729 -1.752 -2.148 1.00 0.21 H new ATOM 0 HD23 LEU A 38 -12.468 -1.965 -3.385 1.00 0.21 H new ATOM 1254 N THR A 39 -15.639 0.656 -6.836 1.00 0.23 N ATOM 1255 CA THR A 39 -16.559 0.169 -7.873 1.00 0.26 C ATOM 1256 C THR A 39 -15.911 0.233 -9.248 1.00 0.27 C ATOM 1257 O THR A 39 -16.204 -0.574 -10.133 1.00 0.30 O ATOM 1258 CB THR A 39 -17.883 0.970 -7.920 1.00 0.29 C ATOM 1259 OG1 THR A 39 -17.623 2.363 -8.126 1.00 0.33 O ATOM 1260 CG2 THR A 39 -18.687 0.791 -6.644 1.00 0.30 C ATOM 0 H THR A 39 -15.976 1.468 -6.319 1.00 0.23 H new ATOM 0 HA THR A 39 -16.787 -0.863 -7.608 1.00 0.26 H new ATOM 0 HB THR A 39 -18.466 0.582 -8.755 1.00 0.29 H new ATOM 0 HG1 THR A 39 -16.656 2.520 -8.120 1.00 0.33 H new ATOM 0 HG21 THR A 39 -19.610 1.367 -6.712 1.00 0.30 H new ATOM 0 HG22 THR A 39 -18.927 -0.264 -6.510 1.00 0.30 H new ATOM 0 HG23 THR A 39 -18.102 1.141 -5.793 1.00 0.30 H new ATOM 1268 N ARG A 40 -15.021 1.195 -9.414 1.00 0.27 N ATOM 1269 CA ARG A 40 -14.354 1.411 -10.679 1.00 0.30 C ATOM 1270 C ARG A 40 -13.115 0.538 -10.809 1.00 0.29 C ATOM 1271 O ARG A 40 -13.029 -0.308 -11.696 1.00 0.33 O ATOM 1272 CB ARG A 40 -13.969 2.883 -10.822 1.00 0.34 C ATOM 1273 CG ARG A 40 -15.158 3.812 -11.017 1.00 0.36 C ATOM 1274 CD ARG A 40 -15.902 3.482 -12.298 1.00 0.47 C ATOM 1275 NE ARG A 40 -15.034 3.602 -13.470 1.00 0.67 N ATOM 1276 CZ ARG A 40 -14.886 2.651 -14.393 1.00 0.90 C ATOM 1277 NH1 ARG A 40 -15.559 1.511 -14.296 1.00 1.24 N ATOM 1278 NH2 ARG A 40 -14.059 2.838 -15.414 1.00 1.09 N ATOM 0 H ARG A 40 -14.743 1.844 -8.678 1.00 0.27 H new ATOM 0 HA ARG A 40 -15.046 1.136 -11.475 1.00 0.30 H new ATOM 0 HB2 ARG A 40 -13.419 3.193 -9.933 1.00 0.34 H new ATOM 0 HB3 ARG A 40 -13.292 2.991 -11.670 1.00 0.34 H new ATOM 0 HG2 ARG A 40 -15.835 3.726 -10.167 1.00 0.36 H new ATOM 0 HG3 ARG A 40 -14.815 4.846 -11.048 1.00 0.36 H new ATOM 0 HD2 ARG A 40 -16.297 2.468 -12.239 1.00 0.47 H new ATOM 0 HD3 ARG A 40 -16.756 4.151 -12.407 1.00 0.47 H new ATOM 0 HE ARG A 40 -14.509 4.468 -13.588 1.00 0.67 H new ATOM 0 HH11 ARG A 40 -16.194 1.359 -13.512 1.00 1.24 H new ATOM 0 HH12 ARG A 40 -15.441 0.787 -15.005 1.00 1.24 H new ATOM 0 HH21 ARG A 40 -13.536 3.710 -15.493 1.00 1.09 H new ATOM 0 HH22 ARG A 40 -13.947 2.110 -16.119 1.00 1.09 H new ATOM 1292 N GLU A 41 -12.151 0.757 -9.933 1.00 0.29 N ATOM 1293 CA GLU A 41 -10.848 0.129 -10.070 1.00 0.32 C ATOM 1294 C GLU A 41 -10.630 -1.059 -9.137 1.00 0.35 C ATOM 1295 O GLU A 41 -9.648 -1.774 -9.282 1.00 0.46 O ATOM 1296 CB GLU A 41 -9.761 1.176 -9.892 1.00 0.38 C ATOM 1297 CG GLU A 41 -9.521 1.967 -11.159 1.00 0.47 C ATOM 1298 CD GLU A 41 -8.779 3.263 -10.933 1.00 0.83 C ATOM 1299 OE1 GLU A 41 -7.594 3.213 -10.550 1.00 1.54 O ATOM 1300 OE2 GLU A 41 -9.378 4.336 -11.164 1.00 1.60 O ATOM 0 H GLU A 41 -12.245 1.365 -9.119 1.00 0.29 H new ATOM 0 HA GLU A 41 -10.801 -0.290 -11.075 1.00 0.32 H new ATOM 0 HB2 GLU A 41 -10.042 1.856 -9.088 1.00 0.38 H new ATOM 0 HB3 GLU A 41 -8.835 0.688 -9.588 1.00 0.38 H new ATOM 0 HG2 GLU A 41 -8.956 1.352 -11.859 1.00 0.47 H new ATOM 0 HG3 GLU A 41 -10.480 2.185 -11.628 1.00 0.47 H new ATOM 1307 N LEU A 42 -11.526 -1.287 -8.187 1.00 0.28 N ATOM 1308 CA LEU A 42 -11.381 -2.436 -7.289 1.00 0.29 C ATOM 1309 C LEU A 42 -12.635 -3.325 -7.280 1.00 0.28 C ATOM 1310 O LEU A 42 -13.025 -3.815 -6.221 1.00 0.26 O ATOM 1311 CB LEU A 42 -11.102 -1.977 -5.846 1.00 0.27 C ATOM 1312 CG LEU A 42 -9.884 -1.078 -5.638 1.00 0.27 C ATOM 1313 CD1 LEU A 42 -10.206 0.368 -5.998 1.00 0.27 C ATOM 1314 CD2 LEU A 42 -9.400 -1.180 -4.201 1.00 0.31 C ATOM 0 H LEU A 42 -12.348 -0.707 -8.015 1.00 0.28 H new ATOM 0 HA LEU A 42 -10.539 -3.015 -7.668 1.00 0.29 H new ATOM 0 HB2 LEU A 42 -11.982 -1.448 -5.480 1.00 0.27 H new ATOM 0 HB3 LEU A 42 -10.981 -2.864 -5.224 1.00 0.27 H new ATOM 0 HG LEU A 42 -9.087 -1.417 -6.300 1.00 0.27 H new ATOM 0 HD11 LEU A 42 -9.323 0.987 -5.841 1.00 0.27 H new ATOM 0 HD12 LEU A 42 -10.508 0.424 -7.044 1.00 0.27 H new ATOM 0 HD13 LEU A 42 -11.018 0.728 -5.366 1.00 0.27 H new ATOM 0 HD21 LEU A 42 -8.532 -0.536 -4.063 1.00 0.31 H new ATOM 0 HD22 LEU A 42 -10.196 -0.866 -3.526 1.00 0.31 H new ATOM 0 HD23 LEU A 42 -9.125 -2.212 -3.982 1.00 0.31 H new ATOM 1326 N PRO A 43 -13.269 -3.603 -8.441 1.00 0.32 N ATOM 1327 CA PRO A 43 -14.537 -4.326 -8.459 1.00 0.34 C ATOM 1328 C PRO A 43 -14.338 -5.808 -8.198 1.00 0.35 C ATOM 1329 O PRO A 43 -15.264 -6.519 -7.804 1.00 0.38 O ATOM 1330 CB PRO A 43 -15.064 -4.084 -9.868 1.00 0.43 C ATOM 1331 CG PRO A 43 -13.845 -3.905 -10.702 1.00 0.52 C ATOM 1332 CD PRO A 43 -12.800 -3.294 -9.808 1.00 0.36 C ATOM 0 HA PRO A 43 -15.223 -3.988 -7.682 1.00 0.34 H new ATOM 0 HB2 PRO A 43 -15.662 -4.926 -10.217 1.00 0.43 H new ATOM 0 HB3 PRO A 43 -15.703 -3.202 -9.906 1.00 0.43 H new ATOM 0 HG2 PRO A 43 -13.504 -4.861 -11.100 1.00 0.52 H new ATOM 0 HG3 PRO A 43 -14.051 -3.259 -11.556 1.00 0.52 H new ATOM 0 HD2 PRO A 43 -11.815 -3.720 -9.997 1.00 0.36 H new ATOM 0 HD3 PRO A 43 -12.718 -2.219 -9.968 1.00 0.36 H new ATOM 1340 N SER A 44 -13.113 -6.264 -8.404 1.00 0.37 N ATOM 1341 CA SER A 44 -12.748 -7.629 -8.101 1.00 0.41 C ATOM 1342 C SER A 44 -12.708 -7.823 -6.587 1.00 0.37 C ATOM 1343 O SER A 44 -12.868 -8.929 -6.083 1.00 0.42 O ATOM 1344 CB SER A 44 -11.407 -7.953 -8.767 1.00 0.48 C ATOM 1345 OG SER A 44 -10.513 -6.851 -8.681 1.00 1.09 O ATOM 0 H SER A 44 -12.353 -5.700 -8.783 1.00 0.37 H new ATOM 0 HA SER A 44 -13.490 -8.322 -8.498 1.00 0.41 H new ATOM 0 HB2 SER A 44 -10.961 -8.825 -8.289 1.00 0.48 H new ATOM 0 HB3 SER A 44 -11.570 -8.212 -9.813 1.00 0.48 H new ATOM 0 HG SER A 44 -10.408 -6.445 -9.567 1.00 1.09 H new ATOM 1351 N PHE A 45 -12.566 -6.714 -5.867 1.00 0.33 N ATOM 1352 CA PHE A 45 -12.586 -6.730 -4.410 1.00 0.34 C ATOM 1353 C PHE A 45 -13.959 -6.304 -3.895 1.00 0.36 C ATOM 1354 O PHE A 45 -14.135 -6.052 -2.707 1.00 0.40 O ATOM 1355 CB PHE A 45 -11.502 -5.799 -3.863 1.00 0.33 C ATOM 1356 CG PHE A 45 -10.128 -6.133 -4.369 1.00 0.35 C ATOM 1357 CD1 PHE A 45 -9.455 -7.248 -3.895 1.00 1.31 C ATOM 1358 CD2 PHE A 45 -9.512 -5.336 -5.319 1.00 1.17 C ATOM 1359 CE1 PHE A 45 -8.192 -7.562 -4.362 1.00 1.36 C ATOM 1360 CE2 PHE A 45 -8.249 -5.644 -5.789 1.00 1.15 C ATOM 1361 CZ PHE A 45 -7.588 -6.759 -5.309 1.00 0.46 C ATOM 0 H PHE A 45 -12.435 -5.788 -6.273 1.00 0.33 H new ATOM 0 HA PHE A 45 -12.386 -7.745 -4.065 1.00 0.34 H new ATOM 0 HB2 PHE A 45 -11.743 -4.771 -4.135 1.00 0.33 H new ATOM 0 HB3 PHE A 45 -11.504 -5.849 -2.774 1.00 0.33 H new ATOM 0 HD1 PHE A 45 -9.922 -7.878 -3.153 1.00 1.31 H new ATOM 0 HD2 PHE A 45 -10.024 -4.464 -5.697 1.00 1.17 H new ATOM 0 HE1 PHE A 45 -7.678 -8.435 -3.986 1.00 1.36 H new ATOM 0 HE2 PHE A 45 -7.779 -5.014 -6.530 1.00 1.15 H new ATOM 0 HZ PHE A 45 -6.601 -7.002 -5.674 1.00 0.46 H new ATOM 1371 N LEU A 46 -14.927 -6.196 -4.804 1.00 0.36 N ATOM 1372 CA LEU A 46 -16.296 -5.856 -4.420 1.00 0.40 C ATOM 1373 C LEU A 46 -17.283 -6.929 -4.856 1.00 0.55 C ATOM 1374 O LEU A 46 -18.458 -6.886 -4.485 1.00 0.70 O ATOM 1375 CB LEU A 46 -16.732 -4.534 -5.034 1.00 0.35 C ATOM 1376 CG LEU A 46 -15.824 -3.340 -4.769 1.00 0.32 C ATOM 1377 CD1 LEU A 46 -16.473 -2.098 -5.325 1.00 0.34 C ATOM 1378 CD2 LEU A 46 -15.544 -3.172 -3.284 1.00 0.30 C ATOM 0 H LEU A 46 -14.790 -6.338 -5.805 1.00 0.36 H new ATOM 0 HA LEU A 46 -16.297 -5.778 -3.333 1.00 0.40 H new ATOM 0 HB2 LEU A 46 -16.817 -4.668 -6.112 1.00 0.35 H new ATOM 0 HB3 LEU A 46 -17.729 -4.296 -4.663 1.00 0.35 H new ATOM 0 HG LEU A 46 -14.867 -3.511 -5.262 1.00 0.32 H new ATOM 0 HD11 LEU A 46 -15.830 -1.238 -5.140 1.00 0.34 H new ATOM 0 HD12 LEU A 46 -16.623 -2.215 -6.398 1.00 0.34 H new ATOM 0 HD13 LEU A 46 -17.436 -1.942 -4.839 1.00 0.34 H new ATOM 0 HD21 LEU A 46 -14.893 -2.311 -3.132 1.00 0.30 H new ATOM 0 HD22 LEU A 46 -16.483 -3.016 -2.752 1.00 0.30 H new ATOM 0 HD23 LEU A 46 -15.055 -4.068 -2.902 1.00 0.30 H new ATOM 1390 N GLY A 47 -16.816 -7.865 -5.676 1.00 0.64 N ATOM 1391 CA GLY A 47 -17.673 -8.935 -6.167 1.00 0.82 C ATOM 1392 C GLY A 47 -18.855 -8.423 -6.971 1.00 0.87 C ATOM 1393 O GLY A 47 -19.830 -9.151 -7.182 1.00 1.23 O ATOM 0 H GLY A 47 -15.854 -7.903 -6.012 1.00 0.64 H new ATOM 0 HA2 GLY A 47 -17.083 -9.610 -6.787 1.00 0.82 H new ATOM 0 HA3 GLY A 47 -18.040 -9.517 -5.321 1.00 0.82 H new ATOM 1397 N LYS A 48 -18.768 -7.162 -7.401 1.00 0.79 N ATOM 1398 CA LYS A 48 -19.808 -6.507 -8.203 1.00 0.95 C ATOM 1399 C LYS A 48 -21.101 -6.293 -7.418 1.00 0.73 C ATOM 1400 O LYS A 48 -22.127 -5.913 -7.983 1.00 0.97 O ATOM 1401 CB LYS A 48 -20.092 -7.290 -9.484 1.00 1.43 C ATOM 1402 CG LYS A 48 -19.190 -6.900 -10.641 1.00 2.17 C ATOM 1403 CD LYS A 48 -17.724 -7.096 -10.298 1.00 2.32 C ATOM 1404 CE LYS A 48 -16.813 -6.769 -11.472 1.00 2.88 C ATOM 1405 NZ LYS A 48 -17.171 -7.538 -12.693 1.00 3.51 N ATOM 0 H LYS A 48 -17.968 -6.561 -7.202 1.00 0.79 H new ATOM 0 HA LYS A 48 -19.419 -5.524 -8.469 1.00 0.95 H new ATOM 0 HB2 LYS A 48 -19.974 -8.355 -9.284 1.00 1.43 H new ATOM 0 HB3 LYS A 48 -21.131 -7.133 -9.774 1.00 1.43 H new ATOM 0 HG2 LYS A 48 -19.442 -7.498 -11.517 1.00 2.17 H new ATOM 0 HG3 LYS A 48 -19.366 -5.857 -10.905 1.00 2.17 H new ATOM 0 HD2 LYS A 48 -17.463 -6.463 -9.450 1.00 2.32 H new ATOM 0 HD3 LYS A 48 -17.559 -8.128 -9.988 1.00 2.32 H new ATOM 0 HE2 LYS A 48 -16.870 -5.702 -11.687 1.00 2.88 H new ATOM 0 HE3 LYS A 48 -15.780 -6.985 -11.199 1.00 2.88 H new ATOM 0 HZ1 LYS A 48 -16.384 -7.497 -13.372 1.00 3.51 H new ATOM 0 HZ2 LYS A 48 -17.357 -8.529 -12.437 1.00 3.51 H new ATOM 0 HZ3 LYS A 48 -18.023 -7.126 -13.125 1.00 3.51 H new ATOM 1419 N ARG A 49 -21.044 -6.519 -6.116 1.00 0.73 N ATOM 1420 CA ARG A 49 -22.209 -6.355 -5.260 1.00 0.70 C ATOM 1421 C ARG A 49 -21.864 -5.580 -3.991 1.00 0.61 C ATOM 1422 O ARG A 49 -21.947 -6.103 -2.879 1.00 0.75 O ATOM 1423 CB ARG A 49 -22.801 -7.724 -4.923 1.00 0.97 C ATOM 1424 CG ARG A 49 -21.830 -8.676 -4.240 1.00 1.10 C ATOM 1425 CD ARG A 49 -22.507 -9.977 -3.847 1.00 1.54 C ATOM 1426 NE ARG A 49 -22.995 -10.721 -5.009 1.00 2.02 N ATOM 1427 CZ ARG A 49 -23.893 -11.701 -4.940 1.00 2.68 C ATOM 1428 NH1 ARG A 49 -24.440 -12.031 -3.776 1.00 3.06 N ATOM 1429 NH2 ARG A 49 -24.257 -12.347 -6.038 1.00 3.24 N ATOM 0 H ARG A 49 -20.200 -6.818 -5.627 1.00 0.73 H new ATOM 0 HA ARG A 49 -22.955 -5.772 -5.800 1.00 0.70 H new ATOM 0 HB2 ARG A 49 -23.668 -7.583 -4.277 1.00 0.97 H new ATOM 0 HB3 ARG A 49 -23.160 -8.188 -5.842 1.00 0.97 H new ATOM 0 HG2 ARG A 49 -20.995 -8.887 -4.908 1.00 1.10 H new ATOM 0 HG3 ARG A 49 -21.415 -8.198 -3.352 1.00 1.10 H new ATOM 0 HD2 ARG A 49 -21.804 -10.597 -3.291 1.00 1.54 H new ATOM 0 HD3 ARG A 49 -23.341 -9.763 -3.179 1.00 1.54 H new ATOM 0 HE ARG A 49 -22.625 -10.474 -5.927 1.00 2.02 H new ATOM 0 HH11 ARG A 49 -24.173 -11.532 -2.927 1.00 3.06 H new ATOM 0 HH12 ARG A 49 -25.128 -12.783 -3.731 1.00 3.06 H new ATOM 0 HH21 ARG A 49 -23.849 -12.094 -6.938 1.00 3.24 H new ATOM 0 HH22 ARG A 49 -24.945 -13.098 -5.983 1.00 3.24 H new ATOM 1443 N THR A 50 -21.473 -4.331 -4.159 1.00 0.55 N ATOM 1444 CA THR A 50 -21.102 -3.514 -3.024 1.00 0.50 C ATOM 1445 C THR A 50 -22.069 -2.384 -2.753 1.00 0.50 C ATOM 1446 O THR A 50 -22.176 -1.422 -3.519 1.00 0.56 O ATOM 1447 CB THR A 50 -19.702 -2.937 -3.178 1.00 0.54 C ATOM 1448 OG1 THR A 50 -19.372 -2.839 -4.567 1.00 0.91 O ATOM 1449 CG2 THR A 50 -18.699 -3.809 -2.445 1.00 0.51 C ATOM 0 H THR A 50 -21.405 -3.865 -5.064 1.00 0.55 H new ATOM 0 HA THR A 50 -21.131 -4.192 -2.171 1.00 0.50 H new ATOM 0 HB THR A 50 -19.670 -1.939 -2.742 1.00 0.54 H new ATOM 0 HG1 THR A 50 -19.652 -1.964 -4.909 1.00 0.91 H new ATOM 0 HG21 THR A 50 -17.700 -3.389 -2.560 1.00 0.51 H new ATOM 0 HG22 THR A 50 -18.956 -3.849 -1.387 1.00 0.51 H new ATOM 0 HG23 THR A 50 -18.720 -4.816 -2.861 1.00 0.51 H new ATOM 1457 N ASP A 51 -22.779 -2.528 -1.663 1.00 0.49 N ATOM 1458 CA ASP A 51 -23.535 -1.437 -1.087 1.00 0.51 C ATOM 1459 C ASP A 51 -22.851 -1.057 0.226 1.00 0.44 C ATOM 1460 O ASP A 51 -21.710 -1.464 0.461 1.00 0.43 O ATOM 1461 CB ASP A 51 -24.996 -1.854 -0.863 1.00 0.60 C ATOM 1462 CG ASP A 51 -25.898 -0.691 -0.498 1.00 1.15 C ATOM 1463 OD1 ASP A 51 -26.259 0.100 -1.393 1.00 1.72 O ATOM 1464 OD2 ASP A 51 -26.243 -0.559 0.693 1.00 1.94 O ATOM 0 H ASP A 51 -22.851 -3.405 -1.147 1.00 0.49 H new ATOM 0 HA ASP A 51 -23.556 -0.578 -1.758 1.00 0.51 H new ATOM 0 HB2 ASP A 51 -25.375 -2.329 -1.768 1.00 0.60 H new ATOM 0 HB3 ASP A 51 -25.037 -2.600 -0.070 1.00 0.60 H new ATOM 1469 N GLU A 52 -23.528 -0.324 1.087 1.00 0.47 N ATOM 1470 CA GLU A 52 -22.938 0.114 2.342 1.00 0.46 C ATOM 1471 C GLU A 52 -22.768 -1.059 3.306 1.00 0.46 C ATOM 1472 O GLU A 52 -22.168 -0.919 4.370 1.00 0.46 O ATOM 1473 CB GLU A 52 -23.806 1.198 2.976 1.00 0.49 C ATOM 1474 CG GLU A 52 -23.969 2.422 2.093 1.00 0.52 C ATOM 1475 CD GLU A 52 -22.650 3.099 1.787 1.00 0.71 C ATOM 1476 OE1 GLU A 52 -21.931 3.462 2.742 1.00 1.27 O ATOM 1477 OE2 GLU A 52 -22.327 3.263 0.590 1.00 1.44 O ATOM 0 H GLU A 52 -24.490 -0.017 0.943 1.00 0.47 H new ATOM 0 HA GLU A 52 -21.950 0.525 2.132 1.00 0.46 H new ATOM 0 HB2 GLU A 52 -24.790 0.784 3.198 1.00 0.49 H new ATOM 0 HB3 GLU A 52 -23.365 1.499 3.926 1.00 0.49 H new ATOM 0 HG2 GLU A 52 -24.449 2.130 1.159 1.00 0.52 H new ATOM 0 HG3 GLU A 52 -24.633 3.134 2.584 1.00 0.52 H new ATOM 1484 N ALA A 53 -23.281 -2.223 2.919 1.00 0.52 N ATOM 1485 CA ALA A 53 -23.187 -3.413 3.753 1.00 0.58 C ATOM 1486 C ALA A 53 -21.786 -4.017 3.701 1.00 0.57 C ATOM 1487 O ALA A 53 -21.321 -4.602 4.677 1.00 0.68 O ATOM 1488 CB ALA A 53 -24.228 -4.437 3.330 1.00 0.65 C ATOM 0 H ALA A 53 -23.766 -2.366 2.033 1.00 0.52 H new ATOM 0 HA ALA A 53 -23.383 -3.119 4.784 1.00 0.58 H new ATOM 0 HB1 ALA A 53 -24.146 -5.321 3.962 1.00 0.65 H new ATOM 0 HB2 ALA A 53 -25.224 -4.007 3.434 1.00 0.65 H new ATOM 0 HB3 ALA A 53 -24.061 -4.717 2.290 1.00 0.65 H new ATOM 1494 N ALA A 54 -21.116 -3.876 2.562 1.00 0.49 N ATOM 1495 CA ALA A 54 -19.735 -4.338 2.424 1.00 0.50 C ATOM 1496 C ALA A 54 -18.768 -3.220 2.807 1.00 0.45 C ATOM 1497 O ALA A 54 -17.627 -3.471 3.193 1.00 0.52 O ATOM 1498 CB ALA A 54 -19.459 -4.799 0.999 1.00 0.49 C ATOM 0 H ALA A 54 -21.504 -3.447 1.722 1.00 0.49 H new ATOM 0 HA ALA A 54 -19.588 -5.185 3.095 1.00 0.50 H new ATOM 0 HB1 ALA A 54 -18.426 -5.138 0.920 1.00 0.49 H new ATOM 0 HB2 ALA A 54 -20.131 -5.619 0.745 1.00 0.49 H new ATOM 0 HB3 ALA A 54 -19.622 -3.970 0.310 1.00 0.49 H new ATOM 1504 N PHE A 55 -19.251 -1.985 2.719 1.00 0.36 N ATOM 1505 CA PHE A 55 -18.405 -0.811 2.900 1.00 0.32 C ATOM 1506 C PHE A 55 -18.332 -0.329 4.342 1.00 0.34 C ATOM 1507 O PHE A 55 -17.409 0.400 4.694 1.00 0.34 O ATOM 1508 CB PHE A 55 -18.889 0.331 2.011 1.00 0.31 C ATOM 1509 CG PHE A 55 -18.277 0.304 0.647 1.00 0.28 C ATOM 1510 CD1 PHE A 55 -18.815 -0.477 -0.358 1.00 1.20 C ATOM 1511 CD2 PHE A 55 -17.150 1.054 0.379 1.00 1.20 C ATOM 1512 CE1 PHE A 55 -18.236 -0.512 -1.608 1.00 1.20 C ATOM 1513 CE2 PHE A 55 -16.567 1.025 -0.870 1.00 1.21 C ATOM 1514 CZ PHE A 55 -17.110 0.239 -1.865 1.00 0.31 C ATOM 0 H PHE A 55 -20.229 -1.771 2.522 1.00 0.36 H new ATOM 0 HA PHE A 55 -17.399 -1.119 2.615 1.00 0.32 H new ATOM 0 HB2 PHE A 55 -19.974 0.278 1.918 1.00 0.31 H new ATOM 0 HB3 PHE A 55 -18.656 1.282 2.490 1.00 0.31 H new ATOM 0 HD1 PHE A 55 -19.699 -1.066 -0.162 1.00 1.20 H new ATOM 0 HD2 PHE A 55 -16.720 1.670 1.155 1.00 1.20 H new ATOM 0 HE1 PHE A 55 -18.664 -1.127 -2.385 1.00 1.20 H new ATOM 0 HE2 PHE A 55 -15.686 1.617 -1.069 1.00 1.21 H new ATOM 0 HZ PHE A 55 -16.653 0.212 -2.843 1.00 0.31 H new ATOM 1524 N GLN A 56 -19.290 -0.725 5.170 1.00 0.37 N ATOM 1525 CA GLN A 56 -19.354 -0.221 6.538 1.00 0.40 C ATOM 1526 C GLN A 56 -18.088 -0.580 7.319 1.00 0.37 C ATOM 1527 O GLN A 56 -17.506 0.268 7.998 1.00 0.42 O ATOM 1528 CB GLN A 56 -20.594 -0.751 7.257 1.00 0.46 C ATOM 1529 CG GLN A 56 -20.843 -0.060 8.588 1.00 0.58 C ATOM 1530 CD GLN A 56 -22.177 -0.420 9.209 1.00 0.68 C ATOM 1531 OE1 GLN A 56 -22.641 -1.636 8.968 1.00 1.42 O flip ATOM 1532 NE2 GLN A 56 -22.780 0.390 9.914 1.00 1.00 N flip ATOM 0 H GLN A 56 -20.026 -1.386 4.923 1.00 0.37 H new ATOM 0 HA GLN A 56 -19.424 0.866 6.487 1.00 0.40 H new ATOM 0 HB2 GLN A 56 -21.465 -0.618 6.615 1.00 0.46 H new ATOM 0 HB3 GLN A 56 -20.481 -1.822 7.424 1.00 0.46 H new ATOM 0 HG2 GLN A 56 -20.044 -0.323 9.281 1.00 0.58 H new ATOM 0 HG3 GLN A 56 -20.797 1.019 8.444 1.00 0.58 H new ATOM 0 HE21 GLN A 56 -22.387 1.318 10.075 1.00 1.00 H new ATOM 0 HE22 GLN A 56 -23.672 0.133 10.337 1.00 1.00 H new ATOM 1541 N LYS A 57 -17.647 -1.827 7.201 1.00 0.34 N ATOM 1542 CA LYS A 57 -16.451 -2.271 7.897 1.00 0.35 C ATOM 1543 C LYS A 57 -15.213 -1.731 7.211 1.00 0.29 C ATOM 1544 O LYS A 57 -14.237 -1.384 7.867 1.00 0.34 O ATOM 1545 CB LYS A 57 -16.386 -3.796 7.967 1.00 0.47 C ATOM 1546 CG LYS A 57 -16.839 -4.391 9.296 1.00 0.85 C ATOM 1547 CD LYS A 57 -15.734 -4.370 10.354 1.00 0.57 C ATOM 1548 CE LYS A 57 -15.517 -2.985 10.947 1.00 0.63 C ATOM 1549 NZ LYS A 57 -14.449 -2.982 11.981 1.00 0.92 N ATOM 0 H LYS A 57 -18.099 -2.543 6.632 1.00 0.34 H new ATOM 0 HA LYS A 57 -16.493 -1.885 8.915 1.00 0.35 H new ATOM 0 HB2 LYS A 57 -17.003 -4.210 7.170 1.00 0.47 H new ATOM 0 HB3 LYS A 57 -15.361 -4.112 7.773 1.00 0.47 H new ATOM 0 HG2 LYS A 57 -17.701 -3.835 9.664 1.00 0.85 H new ATOM 0 HG3 LYS A 57 -17.167 -5.418 9.138 1.00 0.85 H new ATOM 0 HD2 LYS A 57 -15.987 -5.067 11.152 1.00 0.57 H new ATOM 0 HD3 LYS A 57 -14.803 -4.720 9.908 1.00 0.57 H new ATOM 0 HE2 LYS A 57 -15.253 -2.288 10.152 1.00 0.63 H new ATOM 0 HE3 LYS A 57 -16.449 -2.629 11.387 1.00 0.63 H new ATOM 0 HZ1 LYS A 57 -14.565 -2.152 12.597 1.00 0.92 H new ATOM 0 HZ2 LYS A 57 -14.516 -3.849 12.552 1.00 0.92 H new ATOM 0 HZ3 LYS A 57 -13.518 -2.943 11.519 1.00 0.92 H new ATOM 1563 N LEU A 58 -15.265 -1.664 5.887 1.00 0.24 N ATOM 1564 CA LEU A 58 -14.176 -1.100 5.102 1.00 0.20 C ATOM 1565 C LEU A 58 -13.845 0.306 5.584 1.00 0.20 C ATOM 1566 O LEU A 58 -12.754 0.557 6.101 1.00 0.22 O ATOM 1567 CB LEU A 58 -14.563 -1.066 3.621 1.00 0.20 C ATOM 1568 CG LEU A 58 -13.578 -0.339 2.710 1.00 0.19 C ATOM 1569 CD1 LEU A 58 -12.176 -0.888 2.902 1.00 0.20 C ATOM 1570 CD2 LEU A 58 -14.015 -0.454 1.258 1.00 0.23 C ATOM 0 H LEU A 58 -16.054 -1.995 5.332 1.00 0.24 H new ATOM 0 HA LEU A 58 -13.294 -1.728 5.228 1.00 0.20 H new ATOM 0 HB2 LEU A 58 -14.673 -2.091 3.267 1.00 0.20 H new ATOM 0 HB3 LEU A 58 -15.539 -0.590 3.528 1.00 0.20 H new ATOM 0 HG LEU A 58 -13.567 0.718 2.978 1.00 0.19 H new ATOM 0 HD11 LEU A 58 -11.485 -0.359 2.245 1.00 0.20 H new ATOM 0 HD12 LEU A 58 -11.870 -0.749 3.939 1.00 0.20 H new ATOM 0 HD13 LEU A 58 -12.165 -1.951 2.660 1.00 0.20 H new ATOM 0 HD21 LEU A 58 -13.302 0.070 0.621 1.00 0.23 H new ATOM 0 HD22 LEU A 58 -14.054 -1.505 0.972 1.00 0.23 H new ATOM 0 HD23 LEU A 58 -15.003 -0.009 1.139 1.00 0.23 H new ATOM 1582 N MET A 59 -14.800 1.204 5.388 1.00 0.21 N ATOM 1583 CA MET A 59 -14.742 2.567 5.884 1.00 0.26 C ATOM 1584 C MET A 59 -14.184 2.633 7.305 1.00 0.27 C ATOM 1585 O MET A 59 -13.282 3.415 7.588 1.00 0.33 O ATOM 1586 CB MET A 59 -16.152 3.158 5.876 1.00 0.36 C ATOM 1587 CG MET A 59 -16.160 4.664 5.813 1.00 0.34 C ATOM 1588 SD MET A 59 -15.514 5.253 4.246 1.00 0.72 S ATOM 1589 CE MET A 59 -14.828 6.809 4.764 1.00 0.32 C ATOM 0 H MET A 59 -15.654 0.999 4.869 1.00 0.21 H new ATOM 0 HA MET A 59 -14.076 3.135 5.234 1.00 0.26 H new ATOM 0 HB2 MET A 59 -16.701 2.761 5.022 1.00 0.36 H new ATOM 0 HB3 MET A 59 -16.680 2.835 6.773 1.00 0.36 H new ATOM 0 HG2 MET A 59 -17.177 5.031 5.951 1.00 0.34 H new ATOM 0 HG3 MET A 59 -15.562 5.068 6.630 1.00 0.34 H new ATOM 0 HE1 MET A 59 -14.106 7.153 4.023 1.00 0.32 H new ATOM 0 HE2 MET A 59 -15.627 7.544 4.861 1.00 0.32 H new ATOM 0 HE3 MET A 59 -14.330 6.685 5.726 1.00 0.32 H new ATOM 1599 N SER A 60 -14.718 1.793 8.178 1.00 0.28 N ATOM 1600 CA SER A 60 -14.373 1.814 9.594 1.00 0.35 C ATOM 1601 C SER A 60 -12.941 1.350 9.846 1.00 0.32 C ATOM 1602 O SER A 60 -12.212 1.958 10.628 1.00 0.36 O ATOM 1603 CB SER A 60 -15.322 0.906 10.352 1.00 0.41 C ATOM 1604 OG SER A 60 -15.260 1.146 11.749 1.00 0.64 O ATOM 0 H SER A 60 -15.401 1.078 7.927 1.00 0.28 H new ATOM 0 HA SER A 60 -14.458 2.845 9.938 1.00 0.35 H new ATOM 0 HB2 SER A 60 -16.341 1.065 9.998 1.00 0.41 H new ATOM 0 HB3 SER A 60 -15.073 -0.135 10.148 1.00 0.41 H new ATOM 0 HG SER A 60 -15.883 0.548 12.212 1.00 0.64 H new ATOM 1610 N ASN A 61 -12.555 0.252 9.205 1.00 0.30 N ATOM 1611 CA ASN A 61 -11.226 -0.324 9.396 1.00 0.31 C ATOM 1612 C ASN A 61 -10.168 0.610 8.847 1.00 0.31 C ATOM 1613 O ASN A 61 -9.034 0.643 9.322 1.00 0.39 O ATOM 1614 CB ASN A 61 -11.121 -1.683 8.707 1.00 0.34 C ATOM 1615 CG ASN A 61 -11.904 -2.767 9.416 1.00 0.43 C ATOM 1616 OD1 ASN A 61 -12.108 -2.715 10.629 1.00 0.95 O ATOM 1617 ND2 ASN A 61 -12.346 -3.764 8.668 1.00 0.57 N ATOM 0 H ASN A 61 -13.144 -0.259 8.547 1.00 0.30 H new ATOM 0 HA ASN A 61 -11.065 -0.461 10.465 1.00 0.31 H new ATOM 0 HB2 ASN A 61 -11.481 -1.593 7.682 1.00 0.34 H new ATOM 0 HB3 ASN A 61 -10.073 -1.976 8.652 1.00 0.34 H new ATOM 0 HD21 ASN A 61 -12.876 -4.525 9.093 1.00 0.57 H new ATOM 0 HD22 ASN A 61 -12.157 -3.772 7.666 1.00 0.57 H new ATOM 1624 N LEU A 62 -10.565 1.363 7.838 1.00 0.30 N ATOM 1625 CA LEU A 62 -9.714 2.400 7.267 1.00 0.33 C ATOM 1626 C LEU A 62 -9.629 3.571 8.219 1.00 0.33 C ATOM 1627 O LEU A 62 -8.549 4.078 8.516 1.00 0.38 O ATOM 1628 CB LEU A 62 -10.275 2.888 5.932 1.00 0.37 C ATOM 1629 CG LEU A 62 -9.677 2.246 4.688 1.00 0.24 C ATOM 1630 CD1 LEU A 62 -9.775 0.736 4.763 1.00 0.52 C ATOM 1631 CD2 LEU A 62 -10.381 2.767 3.448 1.00 0.28 C ATOM 0 H LEU A 62 -11.478 1.277 7.392 1.00 0.30 H new ATOM 0 HA LEU A 62 -8.723 1.976 7.103 1.00 0.33 H new ATOM 0 HB2 LEU A 62 -11.351 2.714 5.926 1.00 0.37 H new ATOM 0 HB3 LEU A 62 -10.126 3.966 5.869 1.00 0.37 H new ATOM 0 HG LEU A 62 -8.621 2.512 4.631 1.00 0.24 H new ATOM 0 HD11 LEU A 62 -9.342 0.298 3.864 1.00 0.52 H new ATOM 0 HD12 LEU A 62 -9.232 0.379 5.638 1.00 0.52 H new ATOM 0 HD13 LEU A 62 -10.822 0.443 4.841 1.00 0.52 H new ATOM 0 HD21 LEU A 62 -9.948 2.303 2.562 1.00 0.28 H new ATOM 0 HD22 LEU A 62 -11.442 2.524 3.503 1.00 0.28 H new ATOM 0 HD23 LEU A 62 -10.259 3.849 3.388 1.00 0.28 H new ATOM 1643 N ASP A 63 -10.799 3.988 8.675 1.00 0.37 N ATOM 1644 CA ASP A 63 -10.951 5.109 9.581 1.00 0.43 C ATOM 1645 C ASP A 63 -10.291 4.819 10.927 1.00 0.38 C ATOM 1646 O ASP A 63 -10.942 4.413 11.892 1.00 0.43 O ATOM 1647 CB ASP A 63 -12.442 5.399 9.740 1.00 0.56 C ATOM 1648 CG ASP A 63 -12.738 6.503 10.714 1.00 0.85 C ATOM 1649 OD1 ASP A 63 -12.101 7.569 10.626 1.00 1.56 O ATOM 1650 OD2 ASP A 63 -13.647 6.324 11.550 1.00 1.35 O ATOM 0 H ASP A 63 -11.683 3.548 8.420 1.00 0.37 H new ATOM 0 HA ASP A 63 -10.452 5.987 9.172 1.00 0.43 H new ATOM 0 HB2 ASP A 63 -12.858 5.662 8.768 1.00 0.56 H new ATOM 0 HB3 ASP A 63 -12.948 4.491 10.068 1.00 0.56 H new ATOM 1655 N SER A 64 -8.988 5.031 10.974 1.00 0.37 N ATOM 1656 CA SER A 64 -8.181 4.680 12.125 1.00 0.41 C ATOM 1657 C SER A 64 -8.270 5.769 13.187 1.00 0.52 C ATOM 1658 O SER A 64 -8.079 5.516 14.379 1.00 0.64 O ATOM 1659 CB SER A 64 -6.728 4.468 11.676 1.00 0.45 C ATOM 1660 OG SER A 64 -6.119 5.692 11.287 1.00 0.58 O ATOM 0 H SER A 64 -8.459 5.453 10.211 1.00 0.37 H new ATOM 0 HA SER A 64 -8.555 3.755 12.565 1.00 0.41 H new ATOM 0 HB2 SER A 64 -6.157 4.018 12.488 1.00 0.45 H new ATOM 0 HB3 SER A 64 -6.702 3.767 10.842 1.00 0.45 H new ATOM 0 HG SER A 64 -6.799 6.292 10.914 1.00 0.58 H new ATOM 1666 N ASN A 65 -8.586 6.978 12.743 1.00 0.60 N ATOM 1667 CA ASN A 65 -8.701 8.123 13.639 1.00 0.83 C ATOM 1668 C ASN A 65 -10.133 8.248 14.161 1.00 0.89 C ATOM 1669 O ASN A 65 -10.411 9.037 15.065 1.00 1.10 O ATOM 1670 CB ASN A 65 -8.275 9.406 12.916 1.00 0.95 C ATOM 1671 CG ASN A 65 -9.327 9.926 11.953 1.00 0.99 C ATOM 1672 OD1 ASN A 65 -10.105 10.815 12.293 1.00 1.52 O ATOM 1673 ND2 ASN A 65 -9.369 9.370 10.749 1.00 1.44 N ATOM 0 H ASN A 65 -8.768 7.193 11.763 1.00 0.60 H new ATOM 0 HA ASN A 65 -8.038 7.970 14.491 1.00 0.83 H new ATOM 0 HB2 ASN A 65 -8.056 10.176 13.655 1.00 0.95 H new ATOM 0 HB3 ASN A 65 -7.352 9.218 12.368 1.00 0.95 H new ATOM 0 HD21 ASN A 65 -10.064 9.678 10.069 1.00 1.44 H new ATOM 0 HD22 ASN A 65 -8.706 8.635 10.503 1.00 1.44 H new ATOM 1680 N ARG A 66 -11.028 7.454 13.572 1.00 0.79 N ATOM 1681 CA ARG A 66 -12.430 7.370 13.991 1.00 0.98 C ATOM 1682 C ARG A 66 -13.180 8.680 13.729 1.00 1.05 C ATOM 1683 O ARG A 66 -13.663 9.335 14.656 1.00 1.34 O ATOM 1684 CB ARG A 66 -12.554 6.967 15.466 1.00 1.26 C ATOM 1685 CG ARG A 66 -11.863 5.654 15.822 1.00 1.46 C ATOM 1686 CD ARG A 66 -12.311 4.498 14.934 1.00 1.25 C ATOM 1687 NE ARG A 66 -11.906 3.204 15.489 1.00 1.91 N ATOM 1688 CZ ARG A 66 -10.904 2.456 15.021 1.00 2.60 C ATOM 1689 NH1 ARG A 66 -10.241 2.817 13.932 1.00 2.85 N ATOM 1690 NH2 ARG A 66 -10.588 1.318 15.629 1.00 3.45 N ATOM 0 H ARG A 66 -10.800 6.846 12.785 1.00 0.79 H new ATOM 0 HA ARG A 66 -12.893 6.591 13.386 1.00 0.98 H new ATOM 0 HB2 ARG A 66 -12.136 7.762 16.083 1.00 1.26 H new ATOM 0 HB3 ARG A 66 -13.611 6.888 15.721 1.00 1.26 H new ATOM 0 HG2 ARG A 66 -10.784 5.779 15.733 1.00 1.46 H new ATOM 0 HG3 ARG A 66 -12.070 5.409 16.864 1.00 1.46 H new ATOM 0 HD2 ARG A 66 -13.395 4.523 14.822 1.00 1.25 H new ATOM 0 HD3 ARG A 66 -11.885 4.617 13.938 1.00 1.25 H new ATOM 0 HE ARG A 66 -12.427 2.849 16.291 1.00 1.91 H new ATOM 0 HH11 ARG A 66 -10.494 3.675 13.442 1.00 2.85 H new ATOM 0 HH12 ARG A 66 -9.477 2.237 13.584 1.00 2.85 H new ATOM 0 HH21 ARG A 66 -11.111 1.017 16.452 1.00 3.45 H new ATOM 0 HH22 ARG A 66 -9.823 0.745 15.273 1.00 3.45 H new ATOM 1704 N ASP A 67 -13.256 9.061 12.459 1.00 0.86 N ATOM 1705 CA ASP A 67 -13.998 10.250 12.046 1.00 1.00 C ATOM 1706 C ASP A 67 -14.924 9.928 10.870 1.00 0.88 C ATOM 1707 O ASP A 67 -15.743 10.751 10.463 1.00 0.94 O ATOM 1708 CB ASP A 67 -13.026 11.364 11.655 1.00 1.13 C ATOM 1709 CG ASP A 67 -13.697 12.714 11.558 1.00 1.57 C ATOM 1710 OD1 ASP A 67 -14.013 13.298 12.617 1.00 2.08 O ATOM 1711 OD2 ASP A 67 -13.909 13.201 10.429 1.00 2.02 O ATOM 0 H ASP A 67 -12.809 8.560 11.691 1.00 0.86 H new ATOM 0 HA ASP A 67 -14.608 10.585 12.885 1.00 1.00 H new ATOM 0 HB2 ASP A 67 -12.222 11.414 12.390 1.00 1.13 H new ATOM 0 HB3 ASP A 67 -12.567 11.121 10.697 1.00 1.13 H new ATOM 1716 N ASN A 68 -14.778 8.716 10.336 1.00 0.77 N ATOM 1717 CA ASN A 68 -15.550 8.248 9.176 1.00 0.74 C ATOM 1718 C ASN A 68 -15.265 9.080 7.927 1.00 0.65 C ATOM 1719 O ASN A 68 -16.121 9.239 7.056 1.00 0.66 O ATOM 1720 CB ASN A 68 -17.050 8.214 9.480 1.00 0.92 C ATOM 1721 CG ASN A 68 -17.468 6.932 10.163 1.00 1.13 C ATOM 1722 OD1 ASN A 68 -17.691 5.906 9.519 1.00 1.54 O ATOM 1723 ND2 ASN A 68 -17.607 6.996 11.466 1.00 1.75 N ATOM 0 H ASN A 68 -14.119 8.025 10.694 1.00 0.77 H new ATOM 0 HA ASN A 68 -15.225 7.228 8.970 1.00 0.74 H new ATOM 0 HB2 ASN A 68 -17.309 9.062 10.114 1.00 0.92 H new ATOM 0 HB3 ASN A 68 -17.609 8.327 8.551 1.00 0.92 H new ATOM 0 HD21 ASN A 68 -17.911 6.174 11.987 1.00 1.75 H new ATOM 0 HD22 ASN A 68 -17.411 7.868 11.958 1.00 1.75 H new ATOM 1730 N GLU A 69 -14.044 9.577 7.842 1.00 0.64 N ATOM 1731 CA GLU A 69 -13.543 10.245 6.650 1.00 0.63 C ATOM 1732 C GLU A 69 -12.109 9.810 6.423 1.00 0.54 C ATOM 1733 O GLU A 69 -11.232 10.087 7.243 1.00 0.65 O ATOM 1734 CB GLU A 69 -13.606 11.772 6.767 1.00 0.82 C ATOM 1735 CG GLU A 69 -14.972 12.369 6.467 1.00 0.95 C ATOM 1736 CD GLU A 69 -14.920 13.880 6.328 1.00 1.13 C ATOM 1737 OE1 GLU A 69 -14.991 14.581 7.359 1.00 1.59 O ATOM 1738 OE2 GLU A 69 -14.794 14.376 5.188 1.00 1.65 O ATOM 0 H GLU A 69 -13.366 9.529 8.603 1.00 0.64 H new ATOM 0 HA GLU A 69 -14.176 9.963 5.809 1.00 0.63 H new ATOM 0 HB2 GLU A 69 -13.311 12.059 7.776 1.00 0.82 H new ATOM 0 HB3 GLU A 69 -12.875 12.207 6.085 1.00 0.82 H new ATOM 0 HG2 GLU A 69 -15.362 11.934 5.547 1.00 0.95 H new ATOM 0 HG3 GLU A 69 -15.666 12.103 7.264 1.00 0.95 H new ATOM 1745 N VAL A 70 -11.871 9.111 5.329 1.00 0.40 N ATOM 1746 CA VAL A 70 -10.553 8.573 5.061 1.00 0.31 C ATOM 1747 C VAL A 70 -9.617 9.646 4.535 1.00 0.33 C ATOM 1748 O VAL A 70 -9.692 10.049 3.371 1.00 0.39 O ATOM 1749 CB VAL A 70 -10.609 7.385 4.078 1.00 0.28 C ATOM 1750 CG1 VAL A 70 -9.218 6.955 3.641 1.00 0.32 C ATOM 1751 CG2 VAL A 70 -11.340 6.218 4.716 1.00 0.29 C ATOM 0 H VAL A 70 -12.570 8.904 4.616 1.00 0.40 H new ATOM 0 HA VAL A 70 -10.161 8.207 6.010 1.00 0.31 H new ATOM 0 HB VAL A 70 -11.151 7.710 3.190 1.00 0.28 H new ATOM 0 HG11 VAL A 70 -9.297 6.116 2.949 1.00 0.32 H new ATOM 0 HG12 VAL A 70 -8.718 7.788 3.146 1.00 0.32 H new ATOM 0 HG13 VAL A 70 -8.640 6.652 4.514 1.00 0.32 H new ATOM 0 HG21 VAL A 70 -11.375 5.384 4.015 1.00 0.29 H new ATOM 0 HG22 VAL A 70 -10.815 5.911 5.620 1.00 0.29 H new ATOM 0 HG23 VAL A 70 -12.356 6.520 4.971 1.00 0.29 H new ATOM 1761 N ASP A 71 -8.774 10.139 5.428 1.00 0.36 N ATOM 1762 CA ASP A 71 -7.650 10.974 5.045 1.00 0.40 C ATOM 1763 C ASP A 71 -6.629 10.081 4.359 1.00 0.32 C ATOM 1764 O ASP A 71 -6.769 8.858 4.405 1.00 0.29 O ATOM 1765 CB ASP A 71 -7.048 11.645 6.288 1.00 0.49 C ATOM 1766 CG ASP A 71 -5.930 12.615 5.961 1.00 0.61 C ATOM 1767 OD1 ASP A 71 -6.228 13.775 5.612 1.00 1.32 O ATOM 1768 OD2 ASP A 71 -4.747 12.227 6.076 1.00 1.22 O ATOM 0 H ASP A 71 -8.849 9.973 6.431 1.00 0.36 H new ATOM 0 HA ASP A 71 -7.966 11.766 4.366 1.00 0.40 H new ATOM 0 HB2 ASP A 71 -7.835 12.175 6.824 1.00 0.49 H new ATOM 0 HB3 ASP A 71 -6.668 10.876 6.960 1.00 0.49 H new ATOM 1773 N PHE A 72 -5.616 10.657 3.732 1.00 0.36 N ATOM 1774 CA PHE A 72 -4.644 9.853 3.005 1.00 0.36 C ATOM 1775 C PHE A 72 -4.061 8.758 3.897 1.00 0.30 C ATOM 1776 O PHE A 72 -3.852 7.634 3.449 1.00 0.39 O ATOM 1777 CB PHE A 72 -3.513 10.699 2.442 1.00 0.51 C ATOM 1778 CG PHE A 72 -2.700 9.893 1.490 1.00 0.58 C ATOM 1779 CD1 PHE A 72 -3.031 9.856 0.154 1.00 1.26 C ATOM 1780 CD2 PHE A 72 -1.652 9.120 1.940 1.00 1.38 C ATOM 1781 CE1 PHE A 72 -2.330 9.070 -0.723 1.00 1.29 C ATOM 1782 CE2 PHE A 72 -0.944 8.334 1.069 1.00 1.46 C ATOM 1783 CZ PHE A 72 -1.278 8.304 -0.259 1.00 0.78 C ATOM 0 H PHE A 72 -5.445 11.662 3.710 1.00 0.36 H new ATOM 0 HA PHE A 72 -5.179 9.395 2.173 1.00 0.36 H new ATOM 0 HB2 PHE A 72 -3.920 11.574 1.935 1.00 0.51 H new ATOM 0 HB3 PHE A 72 -2.883 11.064 3.253 1.00 0.51 H new ATOM 0 HD1 PHE A 72 -3.854 10.454 -0.208 1.00 1.26 H new ATOM 0 HD2 PHE A 72 -1.387 9.134 2.987 1.00 1.38 H new ATOM 0 HE1 PHE A 72 -2.598 9.050 -1.769 1.00 1.29 H new ATOM 0 HE2 PHE A 72 -0.120 7.736 1.431 1.00 1.46 H new ATOM 0 HZ PHE A 72 -0.719 7.682 -0.943 1.00 0.78 H new ATOM 1793 N GLN A 73 -3.811 9.099 5.151 1.00 0.30 N ATOM 1794 CA GLN A 73 -3.289 8.153 6.131 1.00 0.41 C ATOM 1795 C GLN A 73 -4.121 6.876 6.157 1.00 0.38 C ATOM 1796 O GLN A 73 -3.583 5.772 6.064 1.00 0.44 O ATOM 1797 CB GLN A 73 -3.282 8.774 7.528 1.00 0.61 C ATOM 1798 CG GLN A 73 -2.431 10.025 7.650 1.00 0.85 C ATOM 1799 CD GLN A 73 -1.003 9.802 7.206 1.00 0.83 C ATOM 1800 OE1 GLN A 73 -0.662 10.024 6.046 1.00 1.20 O ATOM 1801 NE2 GLN A 73 -0.164 9.349 8.122 1.00 1.48 N ATOM 0 H GLN A 73 -3.963 10.038 5.520 1.00 0.30 H new ATOM 0 HA GLN A 73 -2.269 7.907 5.837 1.00 0.41 H new ATOM 0 HB2 GLN A 73 -4.306 9.016 7.810 1.00 0.61 H new ATOM 0 HB3 GLN A 73 -2.922 8.032 8.241 1.00 0.61 H new ATOM 0 HG2 GLN A 73 -2.874 10.821 7.051 1.00 0.85 H new ATOM 0 HG3 GLN A 73 -2.437 10.364 8.686 1.00 0.85 H new ATOM 0 HE21 GLN A 73 -0.491 9.179 9.073 1.00 1.48 H new ATOM 0 HE22 GLN A 73 0.810 9.170 7.877 1.00 1.48 H new ATOM 1810 N GLU A 74 -5.437 7.034 6.237 1.00 0.34 N ATOM 1811 CA GLU A 74 -6.337 5.896 6.355 1.00 0.37 C ATOM 1812 C GLU A 74 -6.388 5.154 5.021 1.00 0.32 C ATOM 1813 O GLU A 74 -6.864 4.022 4.930 1.00 0.36 O ATOM 1814 CB GLU A 74 -7.750 6.360 6.734 1.00 0.44 C ATOM 1815 CG GLU A 74 -7.817 7.669 7.515 1.00 0.52 C ATOM 1816 CD GLU A 74 -7.189 7.607 8.892 1.00 0.58 C ATOM 1817 OE1 GLU A 74 -7.878 7.209 9.853 1.00 1.29 O ATOM 1818 OE2 GLU A 74 -6.019 8.009 9.030 1.00 1.16 O ATOM 0 H GLU A 74 -5.904 7.941 6.222 1.00 0.34 H new ATOM 0 HA GLU A 74 -5.966 5.234 7.138 1.00 0.37 H new ATOM 0 HB2 GLU A 74 -8.336 6.470 5.821 1.00 0.44 H new ATOM 0 HB3 GLU A 74 -8.225 5.578 7.326 1.00 0.44 H new ATOM 0 HG2 GLU A 74 -7.321 8.449 6.937 1.00 0.52 H new ATOM 0 HG3 GLU A 74 -8.861 7.964 7.618 1.00 0.52 H new ATOM 1825 N TYR A 75 -5.870 5.807 3.991 1.00 0.26 N ATOM 1826 CA TYR A 75 -5.962 5.307 2.632 1.00 0.25 C ATOM 1827 C TYR A 75 -4.781 4.393 2.282 1.00 0.24 C ATOM 1828 O TYR A 75 -4.953 3.396 1.582 1.00 0.28 O ATOM 1829 CB TYR A 75 -6.039 6.488 1.662 1.00 0.25 C ATOM 1830 CG TYR A 75 -6.422 6.098 0.259 1.00 0.26 C ATOM 1831 CD1 TYR A 75 -5.501 5.488 -0.580 1.00 1.17 C ATOM 1832 CD2 TYR A 75 -7.706 6.326 -0.217 1.00 1.27 C ATOM 1833 CE1 TYR A 75 -5.842 5.114 -1.860 1.00 1.17 C ATOM 1834 CE2 TYR A 75 -8.056 5.950 -1.503 1.00 1.30 C ATOM 1835 CZ TYR A 75 -7.116 5.345 -2.316 1.00 0.38 C ATOM 1836 OH TYR A 75 -7.450 4.967 -3.591 1.00 0.47 O ATOM 0 H TYR A 75 -5.376 6.695 4.076 1.00 0.26 H new ATOM 0 HA TYR A 75 -6.867 4.706 2.546 1.00 0.25 H new ATOM 0 HB2 TYR A 75 -6.764 7.209 2.039 1.00 0.25 H new ATOM 0 HB3 TYR A 75 -5.072 6.990 1.638 1.00 0.25 H new ATOM 0 HD1 TYR A 75 -4.499 5.303 -0.223 1.00 1.17 H new ATOM 0 HD2 TYR A 75 -8.438 6.800 0.420 1.00 1.27 H new ATOM 0 HE1 TYR A 75 -5.112 4.642 -2.501 1.00 1.17 H new ATOM 0 HE2 TYR A 75 -9.057 6.128 -1.868 1.00 1.30 H new ATOM 0 HH TYR A 75 -6.918 4.186 -3.850 1.00 0.47 H new ATOM 1846 N CYS A 76 -3.583 4.728 2.760 1.00 0.22 N ATOM 1847 CA CYS A 76 -2.396 3.909 2.487 1.00 0.21 C ATOM 1848 C CYS A 76 -2.624 2.481 2.939 1.00 0.15 C ATOM 1849 O CYS A 76 -2.301 1.520 2.231 1.00 0.17 O ATOM 1850 CB CYS A 76 -1.175 4.458 3.216 1.00 0.27 C ATOM 1851 SG CYS A 76 -1.288 6.188 3.687 1.00 1.65 S ATOM 0 H CYS A 76 -3.406 5.553 3.334 1.00 0.22 H new ATOM 0 HA CYS A 76 -2.219 3.936 1.412 1.00 0.21 H new ATOM 0 HB2 CYS A 76 -1.008 3.863 4.114 1.00 0.27 H new ATOM 0 HB3 CYS A 76 -0.300 4.327 2.579 1.00 0.27 H new ATOM 0 HG CYS A 76 -1.356 6.925 2.618 1.00 1.65 H new ATOM 1857 N VAL A 77 -3.193 2.357 4.118 1.00 0.16 N ATOM 1858 CA VAL A 77 -3.411 1.068 4.727 1.00 0.17 C ATOM 1859 C VAL A 77 -4.618 0.370 4.129 1.00 0.17 C ATOM 1860 O VAL A 77 -4.737 -0.848 4.222 1.00 0.19 O ATOM 1861 CB VAL A 77 -3.556 1.212 6.247 1.00 0.20 C ATOM 1862 CG1 VAL A 77 -2.241 1.688 6.832 1.00 0.23 C ATOM 1863 CG2 VAL A 77 -4.679 2.176 6.601 1.00 0.19 C ATOM 0 H VAL A 77 -3.516 3.146 4.678 1.00 0.16 H new ATOM 0 HA VAL A 77 -2.540 0.446 4.521 1.00 0.17 H new ATOM 0 HB VAL A 77 -3.811 0.241 6.671 1.00 0.20 H new ATOM 0 HG11 VAL A 77 -2.340 1.792 7.913 1.00 0.23 H new ATOM 0 HG12 VAL A 77 -1.459 0.963 6.607 1.00 0.23 H new ATOM 0 HG13 VAL A 77 -1.977 2.652 6.398 1.00 0.23 H new ATOM 0 HG21 VAL A 77 -4.759 2.259 7.685 1.00 0.19 H new ATOM 0 HG22 VAL A 77 -4.464 3.157 6.177 1.00 0.19 H new ATOM 0 HG23 VAL A 77 -5.620 1.804 6.195 1.00 0.19 H new ATOM 1873 N PHE A 78 -5.501 1.143 3.498 1.00 0.20 N ATOM 1874 CA PHE A 78 -6.592 0.580 2.729 1.00 0.22 C ATOM 1875 C PHE A 78 -6.023 -0.399 1.724 1.00 0.19 C ATOM 1876 O PHE A 78 -6.250 -1.596 1.815 1.00 0.18 O ATOM 1877 CB PHE A 78 -7.364 1.703 2.015 1.00 0.30 C ATOM 1878 CG PHE A 78 -8.329 1.252 0.959 1.00 0.22 C ATOM 1879 CD1 PHE A 78 -9.292 0.291 1.214 1.00 1.21 C ATOM 1880 CD2 PHE A 78 -8.258 1.808 -0.303 1.00 1.19 C ATOM 1881 CE1 PHE A 78 -10.169 -0.104 0.223 1.00 1.20 C ATOM 1882 CE2 PHE A 78 -9.128 1.422 -1.296 1.00 1.21 C ATOM 1883 CZ PHE A 78 -10.086 0.461 -1.035 1.00 0.22 C ATOM 0 H PHE A 78 -5.475 2.163 3.509 1.00 0.20 H new ATOM 0 HA PHE A 78 -7.285 0.058 3.389 1.00 0.22 H new ATOM 0 HB2 PHE A 78 -7.912 2.276 2.763 1.00 0.30 H new ATOM 0 HB3 PHE A 78 -6.644 2.382 1.558 1.00 0.30 H new ATOM 0 HD1 PHE A 78 -9.358 -0.154 2.196 1.00 1.21 H new ATOM 0 HD2 PHE A 78 -7.509 2.557 -0.513 1.00 1.19 H new ATOM 0 HE1 PHE A 78 -10.918 -0.853 0.431 1.00 1.20 H new ATOM 0 HE2 PHE A 78 -9.063 1.869 -2.277 1.00 1.21 H new ATOM 0 HZ PHE A 78 -10.769 0.152 -1.813 1.00 0.22 H new ATOM 1893 N LEU A 79 -5.210 0.122 0.825 1.00 0.20 N ATOM 1894 CA LEU A 79 -4.692 -0.655 -0.283 1.00 0.19 C ATOM 1895 C LEU A 79 -3.662 -1.680 0.143 1.00 0.16 C ATOM 1896 O LEU A 79 -3.745 -2.838 -0.237 1.00 0.18 O ATOM 1897 CB LEU A 79 -4.103 0.276 -1.326 1.00 0.22 C ATOM 1898 CG LEU A 79 -5.156 1.098 -2.045 1.00 0.15 C ATOM 1899 CD1 LEU A 79 -4.535 1.914 -3.164 1.00 0.16 C ATOM 1900 CD2 LEU A 79 -6.234 0.164 -2.561 1.00 0.16 C ATOM 0 H LEU A 79 -4.892 1.091 0.842 1.00 0.20 H new ATOM 0 HA LEU A 79 -5.529 -1.212 -0.705 1.00 0.19 H new ATOM 0 HB2 LEU A 79 -3.391 0.947 -0.846 1.00 0.22 H new ATOM 0 HB3 LEU A 79 -3.546 -0.311 -2.056 1.00 0.22 H new ATOM 0 HG LEU A 79 -5.606 1.809 -1.353 1.00 0.15 H new ATOM 0 HD11 LEU A 79 -5.310 2.495 -3.664 1.00 0.16 H new ATOM 0 HD12 LEU A 79 -3.786 2.589 -2.750 1.00 0.16 H new ATOM 0 HD13 LEU A 79 -4.062 1.245 -3.883 1.00 0.16 H new ATOM 0 HD21 LEU A 79 -6.998 0.742 -3.080 1.00 0.16 H new ATOM 0 HD22 LEU A 79 -5.792 -0.556 -3.250 1.00 0.16 H new ATOM 0 HD23 LEU A 79 -6.687 -0.367 -1.724 1.00 0.16 H new ATOM 1912 N SER A 80 -2.707 -1.271 0.942 1.00 0.15 N ATOM 1913 CA SER A 80 -1.618 -2.158 1.302 1.00 0.15 C ATOM 1914 C SER A 80 -2.135 -3.402 2.014 1.00 0.15 C ATOM 1915 O SER A 80 -1.540 -4.472 1.937 1.00 0.18 O ATOM 1916 CB SER A 80 -0.625 -1.404 2.159 1.00 0.17 C ATOM 1917 OG SER A 80 -0.230 -0.215 1.504 1.00 0.23 O ATOM 0 H SER A 80 -2.657 -0.339 1.354 1.00 0.15 H new ATOM 0 HA SER A 80 -1.117 -2.497 0.395 1.00 0.15 H new ATOM 0 HB2 SER A 80 -1.071 -1.167 3.125 1.00 0.17 H new ATOM 0 HB3 SER A 80 0.247 -2.028 2.356 1.00 0.17 H new ATOM 0 HG SER A 80 -0.953 0.445 1.559 1.00 0.23 H new ATOM 1923 N CYS A 81 -3.253 -3.262 2.697 1.00 0.14 N ATOM 1924 CA CYS A 81 -3.880 -4.391 3.347 1.00 0.15 C ATOM 1925 C CYS A 81 -4.719 -5.212 2.373 1.00 0.14 C ATOM 1926 O CYS A 81 -5.032 -6.372 2.643 1.00 0.16 O ATOM 1927 CB CYS A 81 -4.692 -3.909 4.532 1.00 0.17 C ATOM 1928 SG CYS A 81 -3.650 -3.327 5.880 1.00 0.22 S ATOM 0 H CYS A 81 -3.745 -2.376 2.815 1.00 0.14 H new ATOM 0 HA CYS A 81 -3.101 -5.060 3.712 1.00 0.15 H new ATOM 0 HB2 CYS A 81 -5.354 -3.104 4.213 1.00 0.17 H new ATOM 0 HB3 CYS A 81 -5.326 -4.720 4.890 1.00 0.17 H new ATOM 0 HG CYS A 81 -2.623 -2.696 5.393 1.00 0.22 H new ATOM 1934 N ILE A 82 -5.066 -4.631 1.228 1.00 0.13 N ATOM 1935 CA ILE A 82 -5.763 -5.386 0.200 1.00 0.14 C ATOM 1936 C ILE A 82 -4.745 -6.221 -0.574 1.00 0.17 C ATOM 1937 O ILE A 82 -5.105 -7.182 -1.239 1.00 0.21 O ATOM 1938 CB ILE A 82 -6.571 -4.502 -0.780 1.00 0.15 C ATOM 1939 CG1 ILE A 82 -7.319 -3.403 -0.041 1.00 0.15 C ATOM 1940 CG2 ILE A 82 -7.582 -5.347 -1.538 1.00 0.16 C ATOM 1941 CD1 ILE A 82 -8.150 -2.528 -0.950 1.00 0.18 C ATOM 0 H ILE A 82 -4.879 -3.656 0.994 1.00 0.13 H new ATOM 0 HA ILE A 82 -6.491 -6.021 0.705 1.00 0.14 H new ATOM 0 HB ILE A 82 -5.862 -4.050 -1.473 1.00 0.15 H new ATOM 0 HG12 ILE A 82 -7.968 -3.856 0.708 1.00 0.15 H new ATOM 0 HG13 ILE A 82 -6.601 -2.781 0.493 1.00 0.15 H new ATOM 0 HG21 ILE A 82 -8.144 -4.713 -2.224 1.00 0.16 H new ATOM 0 HG22 ILE A 82 -7.060 -6.120 -2.102 1.00 0.16 H new ATOM 0 HG23 ILE A 82 -8.268 -5.815 -0.832 1.00 0.16 H new ATOM 0 HD11 ILE A 82 -8.656 -1.766 -0.358 1.00 0.18 H new ATOM 0 HD12 ILE A 82 -7.503 -2.047 -1.684 1.00 0.18 H new ATOM 0 HD13 ILE A 82 -8.891 -3.139 -1.465 1.00 0.18 H new ATOM 1953 N ALA A 83 -3.466 -5.835 -0.502 1.00 0.18 N ATOM 1954 CA ALA A 83 -2.383 -6.716 -0.932 1.00 0.23 C ATOM 1955 C ALA A 83 -2.476 -8.043 -0.204 1.00 0.20 C ATOM 1956 O ALA A 83 -2.616 -9.103 -0.817 1.00 0.21 O ATOM 1957 CB ALA A 83 -1.035 -6.091 -0.635 1.00 0.30 C ATOM 0 H ALA A 83 -3.161 -4.926 -0.153 1.00 0.18 H new ATOM 0 HA ALA A 83 -2.479 -6.872 -2.007 1.00 0.23 H new ATOM 0 HB1 ALA A 83 -0.242 -6.763 -0.963 1.00 0.30 H new ATOM 0 HB2 ALA A 83 -0.949 -5.142 -1.165 1.00 0.30 H new ATOM 0 HB3 ALA A 83 -0.943 -5.917 0.437 1.00 0.30 H new ATOM 1963 N MET A 84 -2.410 -7.960 1.119 1.00 0.22 N ATOM 1964 CA MET A 84 -2.525 -9.135 1.971 1.00 0.25 C ATOM 1965 C MET A 84 -3.843 -9.854 1.721 1.00 0.24 C ATOM 1966 O MET A 84 -3.913 -11.083 1.793 1.00 0.28 O ATOM 1967 CB MET A 84 -2.401 -8.742 3.441 1.00 0.30 C ATOM 1968 CG MET A 84 -0.982 -8.381 3.848 1.00 0.34 C ATOM 1969 SD MET A 84 -0.895 -7.686 5.505 1.00 0.36 S ATOM 1970 CE MET A 84 -1.813 -6.170 5.257 1.00 0.20 C ATOM 0 H MET A 84 -2.277 -7.085 1.627 1.00 0.22 H new ATOM 0 HA MET A 84 -1.711 -9.817 1.725 1.00 0.25 H new ATOM 0 HB2 MET A 84 -3.056 -7.894 3.640 1.00 0.30 H new ATOM 0 HB3 MET A 84 -2.751 -9.567 4.061 1.00 0.30 H new ATOM 0 HG2 MET A 84 -0.356 -9.272 3.798 1.00 0.34 H new ATOM 0 HG3 MET A 84 -0.574 -7.664 3.135 1.00 0.34 H new ATOM 0 HE1 MET A 84 -1.765 -5.564 6.162 1.00 0.20 H new ATOM 0 HE2 MET A 84 -1.380 -5.615 4.425 1.00 0.20 H new ATOM 0 HE3 MET A 84 -2.853 -6.407 5.033 1.00 0.20 H new ATOM 1980 N MET A 85 -4.881 -9.080 1.420 1.00 0.25 N ATOM 1981 CA MET A 85 -6.164 -9.644 1.033 1.00 0.36 C ATOM 1982 C MET A 85 -6.022 -10.419 -0.268 1.00 0.33 C ATOM 1983 O MET A 85 -6.344 -11.594 -0.321 1.00 0.43 O ATOM 1984 CB MET A 85 -7.219 -8.552 0.833 1.00 0.62 C ATOM 1985 CG MET A 85 -8.604 -9.116 0.541 1.00 0.77 C ATOM 1986 SD MET A 85 -9.551 -8.108 -0.609 1.00 0.67 S ATOM 1987 CE MET A 85 -10.182 -6.846 0.485 1.00 0.30 C ATOM 0 H MET A 85 -4.856 -8.060 1.437 1.00 0.25 H new ATOM 0 HA MET A 85 -6.485 -10.305 1.838 1.00 0.36 H new ATOM 0 HB2 MET A 85 -7.266 -7.930 1.727 1.00 0.62 H new ATOM 0 HB3 MET A 85 -6.914 -7.905 0.010 1.00 0.62 H new ATOM 0 HG2 MET A 85 -8.501 -10.122 0.133 1.00 0.77 H new ATOM 0 HG3 MET A 85 -9.157 -9.206 1.476 1.00 0.77 H new ATOM 0 HE1 MET A 85 -10.916 -6.239 -0.045 1.00 0.30 H new ATOM 0 HE2 MET A 85 -10.655 -7.315 1.348 1.00 0.30 H new ATOM 0 HE3 MET A 85 -9.361 -6.212 0.821 1.00 0.30 H new ATOM 1997 N CYS A 86 -5.513 -9.746 -1.303 1.00 0.32 N ATOM 1998 CA CYS A 86 -5.430 -10.307 -2.652 1.00 0.43 C ATOM 1999 C CYS A 86 -4.752 -11.678 -2.666 1.00 0.43 C ATOM 2000 O CYS A 86 -5.177 -12.573 -3.393 1.00 0.58 O ATOM 2001 CB CYS A 86 -4.681 -9.339 -3.574 1.00 0.49 C ATOM 2002 SG CYS A 86 -4.676 -9.816 -5.318 1.00 0.57 S ATOM 0 H CYS A 86 -5.147 -8.797 -1.228 1.00 0.32 H new ATOM 0 HA CYS A 86 -6.449 -10.445 -3.014 1.00 0.43 H new ATOM 0 HB2 CYS A 86 -5.129 -8.350 -3.482 1.00 0.49 H new ATOM 0 HB3 CYS A 86 -3.650 -9.255 -3.231 1.00 0.49 H new ATOM 0 HG CYS A 86 -4.838 -8.759 -6.057 1.00 0.57 H new ATOM 2008 N ASN A 87 -3.713 -11.844 -1.857 1.00 0.36 N ATOM 2009 CA ASN A 87 -3.001 -13.120 -1.778 1.00 0.44 C ATOM 2010 C ASN A 87 -3.949 -14.237 -1.348 1.00 0.47 C ATOM 2011 O ASN A 87 -3.988 -15.307 -1.955 1.00 0.54 O ATOM 2012 CB ASN A 87 -1.839 -13.023 -0.791 1.00 0.54 C ATOM 2013 CG ASN A 87 -0.968 -14.266 -0.787 1.00 0.72 C ATOM 2014 OD1 ASN A 87 -0.010 -14.366 -1.554 1.00 1.43 O ATOM 2015 ND2 ASN A 87 -1.282 -15.211 0.084 1.00 1.23 N ATOM 0 H ASN A 87 -3.343 -11.115 -1.247 1.00 0.36 H new ATOM 0 HA ASN A 87 -2.608 -13.351 -2.768 1.00 0.44 H new ATOM 0 HB2 ASN A 87 -1.227 -12.156 -1.041 1.00 0.54 H new ATOM 0 HB3 ASN A 87 -2.232 -12.857 0.212 1.00 0.54 H new ATOM 0 HD21 ASN A 87 -0.722 -16.062 0.138 1.00 1.23 H new ATOM 0 HD22 ASN A 87 -2.084 -15.089 0.702 1.00 1.23 H new ATOM 2022 N GLU A 88 -4.724 -13.964 -0.309 1.00 0.56 N ATOM 2023 CA GLU A 88 -5.681 -14.925 0.219 1.00 0.70 C ATOM 2024 C GLU A 88 -6.930 -14.962 -0.656 1.00 0.73 C ATOM 2025 O GLU A 88 -7.571 -16.002 -0.814 1.00 0.82 O ATOM 2026 CB GLU A 88 -6.044 -14.546 1.655 1.00 0.96 C ATOM 2027 CG GLU A 88 -4.845 -14.516 2.588 1.00 1.81 C ATOM 2028 CD GLU A 88 -5.190 -14.036 3.983 1.00 2.18 C ATOM 2029 OE1 GLU A 88 -6.347 -13.639 4.217 1.00 2.78 O ATOM 2030 OE2 GLU A 88 -4.296 -14.048 4.856 1.00 2.60 O ATOM 0 H GLU A 88 -4.708 -13.074 0.190 1.00 0.56 H new ATOM 0 HA GLU A 88 -5.233 -15.919 0.216 1.00 0.70 H new ATOM 0 HB2 GLU A 88 -6.521 -13.566 1.656 1.00 0.96 H new ATOM 0 HB3 GLU A 88 -6.776 -15.257 2.038 1.00 0.96 H new ATOM 0 HG2 GLU A 88 -4.415 -15.516 2.650 1.00 1.81 H new ATOM 0 HG3 GLU A 88 -4.079 -13.866 2.165 1.00 1.81 H new ATOM 2037 N PHE A 89 -7.251 -13.816 -1.240 1.00 0.78 N ATOM 2038 CA PHE A 89 -8.421 -13.672 -2.087 1.00 0.98 C ATOM 2039 C PHE A 89 -8.222 -14.408 -3.415 1.00 0.94 C ATOM 2040 O PHE A 89 -9.193 -14.773 -4.078 1.00 1.28 O ATOM 2041 CB PHE A 89 -8.723 -12.181 -2.322 1.00 1.19 C ATOM 2042 CG PHE A 89 -10.001 -11.945 -3.072 1.00 1.49 C ATOM 2043 CD1 PHE A 89 -11.224 -12.068 -2.434 1.00 2.09 C ATOM 2044 CD2 PHE A 89 -9.980 -11.609 -4.416 1.00 2.23 C ATOM 2045 CE1 PHE A 89 -12.402 -11.861 -3.123 1.00 2.74 C ATOM 2046 CE2 PHE A 89 -11.155 -11.399 -5.109 1.00 2.94 C ATOM 2047 CZ PHE A 89 -12.368 -11.527 -4.461 1.00 3.02 C ATOM 0 H PHE A 89 -6.705 -12.960 -1.138 1.00 0.78 H new ATOM 0 HA PHE A 89 -9.276 -14.121 -1.582 1.00 0.98 H new ATOM 0 HB2 PHE A 89 -8.775 -11.672 -1.360 1.00 1.19 H new ATOM 0 HB3 PHE A 89 -7.897 -11.733 -2.875 1.00 1.19 H new ATOM 0 HD1 PHE A 89 -11.256 -12.329 -1.386 1.00 2.09 H new ATOM 0 HD2 PHE A 89 -9.034 -11.510 -4.927 1.00 2.23 H new ATOM 0 HE1 PHE A 89 -13.350 -11.960 -2.615 1.00 2.74 H new ATOM 0 HE2 PHE A 89 -11.126 -11.135 -6.156 1.00 2.94 H new ATOM 0 HZ PHE A 89 -13.289 -11.366 -5.001 1.00 3.02 H new ATOM 2057 N PHE A 90 -6.961 -14.626 -3.798 1.00 0.69 N ATOM 2058 CA PHE A 90 -6.648 -15.460 -4.959 1.00 0.84 C ATOM 2059 C PHE A 90 -7.289 -16.829 -4.807 1.00 1.24 C ATOM 2060 O PHE A 90 -7.902 -17.353 -5.736 1.00 1.57 O ATOM 2061 CB PHE A 90 -5.133 -15.646 -5.127 1.00 0.96 C ATOM 2062 CG PHE A 90 -4.430 -14.583 -5.929 1.00 1.08 C ATOM 2063 CD1 PHE A 90 -5.099 -13.835 -6.888 1.00 1.59 C ATOM 2064 CD2 PHE A 90 -3.078 -14.351 -5.732 1.00 1.75 C ATOM 2065 CE1 PHE A 90 -4.431 -12.877 -7.626 1.00 1.81 C ATOM 2066 CE2 PHE A 90 -2.408 -13.398 -6.470 1.00 1.92 C ATOM 2067 CZ PHE A 90 -3.086 -12.658 -7.417 1.00 1.59 C ATOM 0 H PHE A 90 -6.145 -14.239 -3.324 1.00 0.69 H new ATOM 0 HA PHE A 90 -7.042 -14.952 -5.839 1.00 0.84 H new ATOM 0 HB2 PHE A 90 -4.679 -15.688 -4.137 1.00 0.96 H new ATOM 0 HB3 PHE A 90 -4.954 -16.611 -5.601 1.00 0.96 H new ATOM 0 HD1 PHE A 90 -6.152 -14.004 -7.059 1.00 1.59 H new ATOM 0 HD2 PHE A 90 -2.542 -14.924 -4.990 1.00 1.75 H new ATOM 0 HE1 PHE A 90 -4.963 -12.299 -8.367 1.00 1.81 H new ATOM 0 HE2 PHE A 90 -1.354 -13.231 -6.307 1.00 1.92 H new ATOM 0 HZ PHE A 90 -2.564 -11.909 -7.993 1.00 1.59 H new ATOM 2077 N GLU A 91 -7.141 -17.400 -3.622 1.00 1.36 N ATOM 2078 CA GLU A 91 -7.700 -18.706 -3.327 1.00 1.84 C ATOM 2079 C GLU A 91 -9.144 -18.597 -2.869 1.00 1.99 C ATOM 2080 O GLU A 91 -9.929 -19.528 -3.053 1.00 2.44 O ATOM 2081 CB GLU A 91 -6.868 -19.406 -2.253 1.00 2.02 C ATOM 2082 CG GLU A 91 -5.626 -20.083 -2.800 1.00 2.25 C ATOM 2083 CD GLU A 91 -5.973 -21.138 -3.827 1.00 2.76 C ATOM 2084 OE1 GLU A 91 -6.666 -22.114 -3.467 1.00 3.15 O ATOM 2085 OE2 GLU A 91 -5.583 -20.986 -5.001 1.00 3.28 O ATOM 0 H GLU A 91 -6.635 -16.975 -2.845 1.00 1.36 H new ATOM 0 HA GLU A 91 -7.676 -19.294 -4.244 1.00 1.84 H new ATOM 0 HB2 GLU A 91 -6.573 -18.676 -1.499 1.00 2.02 H new ATOM 0 HB3 GLU A 91 -7.487 -20.150 -1.751 1.00 2.02 H new ATOM 0 HG2 GLU A 91 -4.973 -19.336 -3.251 1.00 2.25 H new ATOM 0 HG3 GLU A 91 -5.070 -20.540 -1.982 1.00 2.25 H new ATOM 2092 N GLY A 92 -9.492 -17.461 -2.275 1.00 1.77 N ATOM 2093 CA GLY A 92 -10.809 -17.306 -1.690 1.00 2.10 C ATOM 2094 C GLY A 92 -11.020 -18.320 -0.591 1.00 2.32 C ATOM 2095 O GLY A 92 -12.118 -18.851 -0.423 1.00 2.82 O ATOM 0 H GLY A 92 -8.885 -16.646 -2.189 1.00 1.77 H new ATOM 0 HA2 GLY A 92 -10.920 -16.298 -1.290 1.00 2.10 H new ATOM 0 HA3 GLY A 92 -11.572 -17.429 -2.459 1.00 2.10 H new ATOM 2099 N PHE A 93 -9.940 -18.589 0.140 1.00 2.16 N ATOM 2100 CA PHE A 93 -9.905 -19.631 1.153 1.00 2.47 C ATOM 2101 C PHE A 93 -11.063 -19.503 2.133 1.00 2.93 C ATOM 2102 O PHE A 93 -11.242 -18.459 2.767 1.00 3.33 O ATOM 2103 CB PHE A 93 -8.575 -19.563 1.904 1.00 2.75 C ATOM 2104 CG PHE A 93 -8.173 -20.862 2.533 1.00 3.31 C ATOM 2105 CD1 PHE A 93 -8.586 -21.195 3.810 1.00 3.92 C ATOM 2106 CD2 PHE A 93 -7.375 -21.749 1.836 1.00 3.95 C ATOM 2107 CE1 PHE A 93 -8.208 -22.393 4.384 1.00 4.93 C ATOM 2108 CE2 PHE A 93 -6.994 -22.951 2.403 1.00 4.95 C ATOM 2109 CZ PHE A 93 -7.411 -23.274 3.679 1.00 5.37 C ATOM 0 H PHE A 93 -9.060 -18.083 0.042 1.00 2.16 H new ATOM 0 HA PHE A 93 -10.002 -20.595 0.653 1.00 2.47 H new ATOM 0 HB2 PHE A 93 -7.793 -19.246 1.213 1.00 2.75 H new ATOM 0 HB3 PHE A 93 -8.644 -18.800 2.679 1.00 2.75 H new ATOM 0 HD1 PHE A 93 -9.211 -20.511 4.365 1.00 3.92 H new ATOM 0 HD2 PHE A 93 -7.045 -21.501 0.838 1.00 3.95 H new ATOM 0 HE1 PHE A 93 -8.535 -22.641 5.383 1.00 4.93 H new ATOM 0 HE2 PHE A 93 -6.371 -23.637 1.848 1.00 4.95 H new ATOM 0 HZ PHE A 93 -7.115 -24.212 4.124 1.00 5.37 H new ATOM 2119 N PRO A 94 -11.875 -20.564 2.248 1.00 3.52 N ATOM 2120 CA PRO A 94 -12.982 -20.618 3.198 1.00 4.40 C ATOM 2121 C PRO A 94 -12.478 -20.669 4.634 1.00 4.49 C ATOM 2122 O PRO A 94 -12.250 -21.750 5.185 1.00 4.82 O ATOM 2123 CB PRO A 94 -13.726 -21.913 2.839 1.00 5.24 C ATOM 2124 CG PRO A 94 -13.193 -22.319 1.506 1.00 4.98 C ATOM 2125 CD PRO A 94 -11.790 -21.794 1.448 1.00 3.95 C ATOM 0 HA PRO A 94 -13.618 -19.735 3.136 1.00 4.40 H new ATOM 0 HB2 PRO A 94 -13.549 -22.688 3.585 1.00 5.24 H new ATOM 0 HB3 PRO A 94 -14.803 -21.749 2.798 1.00 5.24 H new ATOM 0 HG2 PRO A 94 -13.210 -23.403 1.392 1.00 4.98 H new ATOM 0 HG3 PRO A 94 -13.799 -21.905 0.700 1.00 4.98 H new ATOM 0 HD2 PRO A 94 -11.075 -22.502 1.867 1.00 3.95 H new ATOM 0 HD3 PRO A 94 -11.475 -21.591 0.424 1.00 3.95 H new ATOM 2133 N ASP A 95 -12.258 -19.484 5.199 1.00 4.54 N ATOM 2134 CA ASP A 95 -11.784 -19.330 6.574 1.00 4.97 C ATOM 2135 C ASP A 95 -10.372 -19.877 6.711 1.00 4.96 C ATOM 2136 O ASP A 95 -10.171 -21.063 6.979 1.00 5.41 O ATOM 2137 CB ASP A 95 -12.723 -20.011 7.578 1.00 5.81 C ATOM 2138 CG ASP A 95 -14.124 -19.438 7.542 1.00 6.62 C ATOM 2139 OD1 ASP A 95 -14.385 -18.441 8.244 1.00 7.06 O ATOM 2140 OD2 ASP A 95 -14.971 -19.980 6.801 1.00 7.10 O ATOM 0 H ASP A 95 -12.404 -18.599 4.714 1.00 4.54 H new ATOM 0 HA ASP A 95 -11.775 -18.264 6.803 1.00 4.97 H new ATOM 0 HB2 ASP A 95 -12.765 -21.079 7.364 1.00 5.81 H new ATOM 0 HB3 ASP A 95 -12.315 -19.903 8.583 1.00 5.81 H new ATOM 2145 N LYS A 96 -9.395 -19.005 6.491 1.00 4.87 N ATOM 2146 CA LYS A 96 -7.986 -19.381 6.555 1.00 5.33 C ATOM 2147 C LYS A 96 -7.644 -20.031 7.892 1.00 5.99 C ATOM 2148 O LYS A 96 -7.809 -19.431 8.954 1.00 6.19 O ATOM 2149 CB LYS A 96 -7.092 -18.161 6.302 1.00 5.44 C ATOM 2150 CG LYS A 96 -7.410 -16.962 7.181 1.00 6.10 C ATOM 2151 CD LYS A 96 -6.588 -15.754 6.777 1.00 6.48 C ATOM 2152 CE LYS A 96 -7.108 -14.485 7.426 1.00 7.03 C ATOM 2153 NZ LYS A 96 -6.408 -13.280 6.915 1.00 7.33 N ATOM 0 H LYS A 96 -9.554 -18.023 6.265 1.00 4.87 H new ATOM 0 HA LYS A 96 -7.801 -20.116 5.772 1.00 5.33 H new ATOM 0 HB2 LYS A 96 -6.052 -18.448 6.460 1.00 5.44 H new ATOM 0 HB3 LYS A 96 -7.186 -17.866 5.257 1.00 5.44 H new ATOM 0 HG2 LYS A 96 -8.471 -16.725 7.107 1.00 6.10 H new ATOM 0 HG3 LYS A 96 -7.211 -17.209 8.224 1.00 6.10 H new ATOM 0 HD2 LYS A 96 -5.547 -15.909 7.061 1.00 6.48 H new ATOM 0 HD3 LYS A 96 -6.609 -15.644 5.693 1.00 6.48 H new ATOM 0 HE2 LYS A 96 -8.178 -14.392 7.237 1.00 7.03 H new ATOM 0 HE3 LYS A 96 -6.979 -14.550 8.506 1.00 7.03 H new ATOM 0 HZ1 LYS A 96 -6.945 -12.429 7.178 1.00 7.33 H new ATOM 0 HZ2 LYS A 96 -5.455 -13.230 7.329 1.00 7.33 H new ATOM 0 HZ3 LYS A 96 -6.332 -13.336 5.879 1.00 7.33 H new ATOM 2167 N GLN A 97 -7.185 -21.272 7.821 1.00 6.62 N ATOM 2168 CA GLN A 97 -6.834 -22.031 9.010 1.00 7.47 C ATOM 2169 C GLN A 97 -5.665 -21.382 9.741 1.00 8.21 C ATOM 2170 O GLN A 97 -4.685 -20.961 9.118 1.00 8.51 O ATOM 2171 CB GLN A 97 -6.481 -23.474 8.637 1.00 8.07 C ATOM 2172 CG GLN A 97 -5.360 -23.584 7.614 1.00 8.68 C ATOM 2173 CD GLN A 97 -4.934 -25.015 7.347 1.00 9.30 C ATOM 2174 OE1 GLN A 97 -5.009 -25.863 8.361 1.00 9.68 O flip ATOM 2175 NE2 GLN A 97 -4.517 -25.351 6.240 1.00 9.64 N flip ATOM 0 H GLN A 97 -7.047 -21.777 6.945 1.00 6.62 H new ATOM 0 HA GLN A 97 -7.698 -22.038 9.675 1.00 7.47 H new ATOM 0 HB2 GLN A 97 -6.192 -24.013 9.539 1.00 8.07 H new ATOM 0 HB3 GLN A 97 -7.370 -23.966 8.243 1.00 8.07 H new ATOM 0 HG2 GLN A 97 -5.684 -23.128 6.679 1.00 8.68 H new ATOM 0 HG3 GLN A 97 -4.499 -23.015 7.965 1.00 8.68 H new ATOM 0 HE21 GLN A 97 -4.474 -24.669 5.483 1.00 9.64 H new ATOM 0 HE22 GLN A 97 -4.214 -26.312 6.079 1.00 9.64 H new ATOM 2184 N PRO A 98 -5.765 -21.268 11.070 1.00 8.78 N ATOM 2185 CA PRO A 98 -4.666 -20.782 11.899 1.00 9.71 C ATOM 2186 C PRO A 98 -3.519 -21.784 11.924 1.00 10.51 C ATOM 2187 O PRO A 98 -3.724 -22.975 11.689 1.00 10.91 O ATOM 2188 CB PRO A 98 -5.285 -20.641 13.300 1.00 10.26 C ATOM 2189 CG PRO A 98 -6.761 -20.754 13.100 1.00 9.76 C ATOM 2190 CD PRO A 98 -6.953 -21.591 11.869 1.00 8.82 C ATOM 0 HA PRO A 98 -4.248 -19.847 11.525 1.00 9.71 H new ATOM 0 HB2 PRO A 98 -4.920 -21.419 13.970 1.00 10.26 H new ATOM 0 HB3 PRO A 98 -5.023 -19.684 13.750 1.00 10.26 H new ATOM 0 HG2 PRO A 98 -7.237 -21.218 13.964 1.00 9.76 H new ATOM 0 HG3 PRO A 98 -7.214 -19.770 12.977 1.00 9.76 H new ATOM 0 HD2 PRO A 98 -7.005 -22.654 12.106 1.00 8.82 H new ATOM 0 HD3 PRO A 98 -7.874 -21.336 11.346 1.00 8.82 H new ATOM 2198 N ARG A 99 -2.321 -21.306 12.226 1.00 10.91 N ATOM 2199 CA ARG A 99 -1.138 -22.160 12.259 1.00 11.80 C ATOM 2200 C ARG A 99 -1.070 -22.939 13.572 1.00 12.49 C ATOM 2201 O ARG A 99 -0.068 -23.592 13.870 1.00 13.03 O ATOM 2202 CB ARG A 99 0.123 -21.314 12.058 1.00 12.07 C ATOM 2203 CG ARG A 99 0.395 -20.328 13.186 1.00 12.32 C ATOM 2204 CD ARG A 99 1.370 -19.243 12.755 1.00 12.98 C ATOM 2205 NE ARG A 99 0.749 -18.285 11.835 1.00 13.45 N ATOM 2206 CZ ARG A 99 1.430 -17.478 11.018 1.00 14.07 C ATOM 2207 NH1 ARG A 99 2.756 -17.537 10.967 1.00 14.29 N ATOM 2208 NH2 ARG A 99 0.782 -16.610 10.251 1.00 14.62 N ATOM 0 H ARG A 99 -2.140 -20.328 12.453 1.00 10.91 H new ATOM 0 HA ARG A 99 -1.204 -22.883 11.446 1.00 11.80 H new ATOM 0 HB2 ARG A 99 0.981 -21.978 11.956 1.00 12.07 H new ATOM 0 HB3 ARG A 99 0.033 -20.763 11.122 1.00 12.07 H new ATOM 0 HG2 ARG A 99 -0.542 -19.871 13.505 1.00 12.32 H new ATOM 0 HG3 ARG A 99 0.799 -20.861 14.047 1.00 12.32 H new ATOM 0 HD2 ARG A 99 1.738 -18.715 13.635 1.00 12.98 H new ATOM 0 HD3 ARG A 99 2.234 -19.701 12.273 1.00 12.98 H new ATOM 0 HE ARG A 99 -0.269 -18.232 11.818 1.00 13.45 H new ATOM 0 HH11 ARG A 99 3.260 -18.202 11.554 1.00 14.29 H new ATOM 0 HH12 ARG A 99 3.270 -16.918 10.341 1.00 14.29 H new ATOM 0 HH21 ARG A 99 -0.236 -16.560 10.286 1.00 14.62 H new ATOM 0 HH22 ARG A 99 1.302 -15.993 9.627 1.00 14.62 H new ATOM 2222 N LYS A 100 -2.162 -22.865 14.336 1.00 12.64 N ATOM 2223 CA LYS A 100 -2.303 -23.548 15.623 1.00 13.44 C ATOM 2224 C LYS A 100 -1.374 -22.969 16.684 1.00 14.06 C ATOM 2225 O LYS A 100 -0.205 -22.674 16.431 1.00 14.46 O ATOM 2226 CB LYS A 100 -2.084 -25.059 15.494 1.00 13.66 C ATOM 2227 CG LYS A 100 -3.149 -25.763 14.667 1.00 13.92 C ATOM 2228 CD LYS A 100 -3.128 -27.267 14.897 1.00 14.26 C ATOM 2229 CE LYS A 100 -1.815 -27.892 14.458 1.00 15.02 C ATOM 2230 NZ LYS A 100 -1.671 -27.912 12.978 1.00 15.75 N ATOM 0 H LYS A 100 -2.984 -22.321 14.074 1.00 12.64 H new ATOM 0 HA LYS A 100 -3.330 -23.379 15.947 1.00 13.44 H new ATOM 0 HB2 LYS A 100 -1.108 -25.238 15.042 1.00 13.66 H new ATOM 0 HB3 LYS A 100 -2.060 -25.500 16.490 1.00 13.66 H new ATOM 0 HG2 LYS A 100 -4.132 -25.368 14.925 1.00 13.92 H new ATOM 0 HG3 LYS A 100 -2.988 -25.553 13.610 1.00 13.92 H new ATOM 0 HD2 LYS A 100 -3.292 -27.474 15.954 1.00 14.26 H new ATOM 0 HD3 LYS A 100 -3.950 -27.729 14.350 1.00 14.26 H new ATOM 0 HE2 LYS A 100 -0.986 -27.336 14.895 1.00 15.02 H new ATOM 0 HE3 LYS A 100 -1.753 -28.910 14.841 1.00 15.02 H new ATOM 0 HZ1 LYS A 100 -0.785 -28.392 12.722 1.00 15.75 H new ATOM 0 HZ2 LYS A 100 -2.475 -28.421 12.558 1.00 15.75 H new ATOM 0 HZ3 LYS A 100 -1.653 -26.937 12.618 1.00 15.75 H new ATOM 2244 N LYS A 101 -1.912 -22.804 17.878 1.00 14.28 N ATOM 2245 CA LYS A 101 -1.155 -22.259 18.990 1.00 15.00 C ATOM 2246 C LYS A 101 -0.932 -23.340 20.037 1.00 15.28 C ATOM 2247 O LYS A 101 0.156 -23.945 20.044 1.00 15.57 O ATOM 2248 CB LYS A 101 -1.896 -21.064 19.597 1.00 15.30 C ATOM 2249 CG LYS A 101 -2.249 -19.992 18.577 1.00 15.68 C ATOM 2250 CD LYS A 101 -1.005 -19.392 17.933 1.00 15.85 C ATOM 2251 CE LYS A 101 -0.232 -18.518 18.909 1.00 16.60 C ATOM 2252 NZ LYS A 101 -1.013 -17.320 19.309 1.00 17.06 N ATOM 2253 OXT LYS A 101 -1.857 -23.606 20.829 1.00 15.35 O ATOM 0 H LYS A 101 -2.878 -23.042 18.104 1.00 14.28 H new ATOM 0 HA LYS A 101 -0.186 -21.914 18.631 1.00 15.00 H new ATOM 0 HB2 LYS A 101 -2.810 -21.417 20.074 1.00 15.30 H new ATOM 0 HB3 LYS A 101 -1.279 -20.622 20.379 1.00 15.30 H new ATOM 0 HG2 LYS A 101 -2.887 -20.421 17.805 1.00 15.68 H new ATOM 0 HG3 LYS A 101 -2.823 -19.203 19.063 1.00 15.68 H new ATOM 0 HD2 LYS A 101 -0.360 -20.193 17.572 1.00 15.85 H new ATOM 0 HD3 LYS A 101 -1.294 -18.800 17.065 1.00 15.85 H new ATOM 0 HE2 LYS A 101 0.023 -19.099 19.795 1.00 16.60 H new ATOM 0 HE3 LYS A 101 0.707 -18.205 18.452 1.00 16.60 H new ATOM 0 HZ1 LYS A 101 -0.378 -16.621 19.745 1.00 17.06 H new ATOM 0 HZ2 LYS A 101 -1.463 -16.903 18.469 1.00 17.06 H new ATOM 0 HZ3 LYS A 101 -1.746 -17.596 19.993 1.00 17.06 H new TER 2267 LYS A 101 ATOM 2268 N MET B 1 -1.860 1.582 -19.142 1.00 1.49 N ATOM 2269 CA MET B 1 -3.206 1.421 -19.739 1.00 0.60 C ATOM 2270 C MET B 1 -3.965 0.261 -19.099 1.00 0.49 C ATOM 2271 O MET B 1 -4.998 -0.176 -19.609 1.00 0.58 O ATOM 2272 CB MET B 1 -3.109 1.240 -21.264 1.00 1.30 C ATOM 2273 CG MET B 1 -2.026 0.270 -21.729 1.00 1.88 C ATOM 2274 SD MET B 1 -2.340 -1.444 -21.261 1.00 2.89 S ATOM 2275 CE MET B 1 -3.825 -1.789 -22.203 1.00 3.54 C ATOM 0 H1 MET B 1 -1.327 2.298 -19.676 1.00 1.49 H new ATOM 0 H2 MET B 1 -1.953 1.887 -18.152 1.00 1.49 H new ATOM 0 H3 MET B 1 -1.353 0.675 -19.178 1.00 1.49 H new ATOM 0 HA MET B 1 -3.769 2.333 -19.539 1.00 0.60 H new ATOM 0 HB2 MET B 1 -4.072 0.891 -21.636 1.00 1.30 H new ATOM 0 HB3 MET B 1 -2.925 2.213 -21.720 1.00 1.30 H new ATOM 0 HG2 MET B 1 -1.937 0.331 -22.814 1.00 1.88 H new ATOM 0 HG3 MET B 1 -1.068 0.582 -21.313 1.00 1.88 H new ATOM 0 HE1 MET B 1 -3.725 -2.754 -22.700 1.00 3.54 H new ATOM 0 HE2 MET B 1 -4.684 -1.814 -21.532 1.00 3.54 H new ATOM 0 HE3 MET B 1 -3.971 -1.009 -22.950 1.00 3.54 H new ATOM 2285 N ALA B 2 -3.463 -0.232 -17.972 1.00 0.34 N ATOM 2286 CA ALA B 2 -4.144 -1.285 -17.242 1.00 0.30 C ATOM 2287 C ALA B 2 -5.014 -0.676 -16.153 1.00 0.27 C ATOM 2288 O ALA B 2 -4.927 0.525 -15.901 1.00 0.36 O ATOM 2289 CB ALA B 2 -3.136 -2.249 -16.641 1.00 0.30 C ATOM 0 H ALA B 2 -2.590 0.082 -17.549 1.00 0.34 H new ATOM 0 HA ALA B 2 -4.779 -1.841 -17.931 1.00 0.30 H new ATOM 0 HB1 ALA B 2 -3.662 -3.033 -16.097 1.00 0.30 H new ATOM 0 HB2 ALA B 2 -2.541 -2.697 -17.437 1.00 0.30 H new ATOM 0 HB3 ALA B 2 -2.480 -1.710 -15.957 1.00 0.30 H new ATOM 2295 N CYS B 3 -5.855 -1.498 -15.528 1.00 0.25 N ATOM 2296 CA CYS B 3 -6.657 -1.064 -14.394 1.00 0.23 C ATOM 2297 C CYS B 3 -5.734 -0.648 -13.257 1.00 0.17 C ATOM 2298 O CYS B 3 -5.147 -1.493 -12.581 1.00 0.17 O ATOM 2299 CB CYS B 3 -7.595 -2.185 -13.947 1.00 0.28 C ATOM 2300 SG CYS B 3 -8.672 -2.798 -15.263 1.00 0.39 S ATOM 0 H CYS B 3 -5.996 -2.473 -15.792 1.00 0.25 H new ATOM 0 HA CYS B 3 -7.269 -0.211 -14.687 1.00 0.23 H new ATOM 0 HB2 CYS B 3 -7.000 -3.013 -13.561 1.00 0.28 H new ATOM 0 HB3 CYS B 3 -8.211 -1.825 -13.123 1.00 0.28 H new ATOM 0 HG CYS B 3 -9.430 -3.746 -14.797 1.00 0.39 H new ATOM 2306 N PRO B 4 -5.599 0.665 -13.052 1.00 0.16 N ATOM 2307 CA PRO B 4 -4.554 1.244 -12.199 1.00 0.13 C ATOM 2308 C PRO B 4 -4.610 0.767 -10.754 1.00 0.12 C ATOM 2309 O PRO B 4 -3.692 0.096 -10.276 1.00 0.12 O ATOM 2310 CB PRO B 4 -4.852 2.744 -12.270 1.00 0.17 C ATOM 2311 CG PRO B 4 -5.601 2.922 -13.538 1.00 0.20 C ATOM 2312 CD PRO B 4 -6.460 1.706 -13.639 1.00 0.20 C ATOM 0 HA PRO B 4 -3.559 0.957 -12.538 1.00 0.13 H new ATOM 0 HB2 PRO B 4 -5.441 3.071 -11.413 1.00 0.17 H new ATOM 0 HB3 PRO B 4 -3.933 3.330 -12.268 1.00 0.17 H new ATOM 0 HG2 PRO B 4 -6.201 3.832 -13.520 1.00 0.20 H new ATOM 0 HG3 PRO B 4 -4.926 3.003 -14.390 1.00 0.20 H new ATOM 0 HD2 PRO B 4 -7.393 1.820 -13.088 1.00 0.20 H new ATOM 0 HD3 PRO B 4 -6.725 1.480 -14.672 1.00 0.20 H new ATOM 2320 N LEU B 5 -5.698 1.084 -10.068 1.00 0.13 N ATOM 2321 CA LEU B 5 -5.838 0.726 -8.666 1.00 0.14 C ATOM 2322 C LEU B 5 -5.950 -0.789 -8.520 1.00 0.16 C ATOM 2323 O LEU B 5 -5.481 -1.361 -7.540 1.00 0.22 O ATOM 2324 CB LEU B 5 -7.064 1.421 -8.065 1.00 0.15 C ATOM 2325 CG LEU B 5 -6.907 1.969 -6.643 1.00 0.16 C ATOM 2326 CD1 LEU B 5 -6.667 0.851 -5.663 1.00 0.18 C ATOM 2327 CD2 LEU B 5 -5.778 2.981 -6.562 1.00 0.17 C ATOM 0 H LEU B 5 -6.495 1.587 -10.459 1.00 0.13 H new ATOM 0 HA LEU B 5 -4.953 1.059 -8.124 1.00 0.14 H new ATOM 0 HB2 LEU B 5 -7.345 2.246 -8.720 1.00 0.15 H new ATOM 0 HB3 LEU B 5 -7.894 0.714 -8.069 1.00 0.15 H new ATOM 0 HG LEU B 5 -7.838 2.473 -6.382 1.00 0.16 H new ATOM 0 HD11 LEU B 5 -6.559 1.263 -4.660 1.00 0.18 H new ATOM 0 HD12 LEU B 5 -7.512 0.162 -5.683 1.00 0.18 H new ATOM 0 HD13 LEU B 5 -5.757 0.317 -5.936 1.00 0.18 H new ATOM 0 HD21 LEU B 5 -5.693 3.350 -5.540 1.00 0.17 H new ATOM 0 HD22 LEU B 5 -4.842 2.506 -6.855 1.00 0.17 H new ATOM 0 HD23 LEU B 5 -5.987 3.814 -7.233 1.00 0.17 H new ATOM 2339 N GLU B 6 -6.543 -1.444 -9.513 1.00 0.16 N ATOM 2340 CA GLU B 6 -6.698 -2.891 -9.471 1.00 0.20 C ATOM 2341 C GLU B 6 -5.339 -3.576 -9.492 1.00 0.18 C ATOM 2342 O GLU B 6 -5.082 -4.497 -8.711 1.00 0.23 O ATOM 2343 CB GLU B 6 -7.548 -3.390 -10.642 1.00 0.29 C ATOM 2344 CG GLU B 6 -7.832 -4.883 -10.580 1.00 0.43 C ATOM 2345 CD GLU B 6 -8.782 -5.343 -11.660 1.00 0.90 C ATOM 2346 OE1 GLU B 6 -8.318 -5.610 -12.791 1.00 1.79 O ATOM 2347 OE2 GLU B 6 -9.998 -5.439 -11.386 1.00 1.39 O ATOM 0 H GLU B 6 -6.921 -0.999 -10.349 1.00 0.16 H new ATOM 0 HA GLU B 6 -7.209 -3.142 -8.541 1.00 0.20 H new ATOM 0 HB2 GLU B 6 -8.493 -2.847 -10.655 1.00 0.29 H new ATOM 0 HB3 GLU B 6 -7.037 -3.162 -11.577 1.00 0.29 H new ATOM 0 HG2 GLU B 6 -6.894 -5.431 -10.670 1.00 0.43 H new ATOM 0 HG3 GLU B 6 -8.252 -5.128 -9.604 1.00 0.43 H new ATOM 2354 N LYS B 7 -4.466 -3.116 -10.381 1.00 0.16 N ATOM 2355 CA LYS B 7 -3.135 -3.680 -10.487 1.00 0.18 C ATOM 2356 C LYS B 7 -2.311 -3.376 -9.248 1.00 0.17 C ATOM 2357 O LYS B 7 -1.436 -4.149 -8.898 1.00 0.19 O ATOM 2358 CB LYS B 7 -2.424 -3.191 -11.755 1.00 0.25 C ATOM 2359 CG LYS B 7 -2.644 -4.111 -12.946 1.00 0.41 C ATOM 2360 CD LYS B 7 -1.933 -5.441 -12.742 1.00 0.90 C ATOM 2361 CE LYS B 7 -2.249 -6.435 -13.844 1.00 0.84 C ATOM 2362 NZ LYS B 7 -3.638 -6.962 -13.747 1.00 1.18 N ATOM 0 H LYS B 7 -4.659 -2.357 -11.034 1.00 0.16 H new ATOM 0 HA LYS B 7 -3.240 -4.762 -10.561 1.00 0.18 H new ATOM 0 HB2 LYS B 7 -2.780 -2.191 -12.003 1.00 0.25 H new ATOM 0 HB3 LYS B 7 -1.355 -3.109 -11.558 1.00 0.25 H new ATOM 0 HG2 LYS B 7 -3.711 -4.282 -13.086 1.00 0.41 H new ATOM 0 HG3 LYS B 7 -2.276 -3.632 -13.853 1.00 0.41 H new ATOM 0 HD2 LYS B 7 -0.857 -5.273 -12.704 1.00 0.90 H new ATOM 0 HD3 LYS B 7 -2.224 -5.863 -11.780 1.00 0.90 H new ATOM 0 HE2 LYS B 7 -2.111 -5.956 -14.813 1.00 0.84 H new ATOM 0 HE3 LYS B 7 -1.544 -7.265 -13.796 1.00 0.84 H new ATOM 0 HZ1 LYS B 7 -3.776 -7.710 -14.456 1.00 1.18 H new ATOM 0 HZ2 LYS B 7 -3.795 -7.353 -12.796 1.00 1.18 H new ATOM 0 HZ3 LYS B 7 -4.315 -6.192 -13.921 1.00 1.18 H new ATOM 2376 N ALA B 8 -2.612 -2.273 -8.576 1.00 0.17 N ATOM 2377 CA ALA B 8 -1.928 -1.926 -7.335 1.00 0.17 C ATOM 2378 C ALA B 8 -1.943 -3.093 -6.350 1.00 0.17 C ATOM 2379 O ALA B 8 -0.888 -3.536 -5.902 1.00 0.22 O ATOM 2380 CB ALA B 8 -2.552 -0.691 -6.704 1.00 0.18 C ATOM 0 H ALA B 8 -3.324 -1.603 -8.868 1.00 0.17 H new ATOM 0 HA ALA B 8 -0.889 -1.704 -7.579 1.00 0.17 H new ATOM 0 HB1 ALA B 8 -2.027 -0.450 -5.780 1.00 0.18 H new ATOM 0 HB2 ALA B 8 -2.475 0.149 -7.395 1.00 0.18 H new ATOM 0 HB3 ALA B 8 -3.602 -0.886 -6.485 1.00 0.18 H new ATOM 2386 N LEU B 9 -3.129 -3.612 -6.039 1.00 0.13 N ATOM 2387 CA LEU B 9 -3.239 -4.730 -5.095 1.00 0.12 C ATOM 2388 C LEU B 9 -2.774 -6.027 -5.745 1.00 0.14 C ATOM 2389 O LEU B 9 -2.227 -6.904 -5.078 1.00 0.18 O ATOM 2390 CB LEU B 9 -4.675 -4.913 -4.574 1.00 0.13 C ATOM 2391 CG LEU B 9 -5.305 -3.697 -3.889 1.00 0.13 C ATOM 2392 CD1 LEU B 9 -4.293 -3.000 -3.016 1.00 0.15 C ATOM 2393 CD2 LEU B 9 -5.890 -2.726 -4.895 1.00 0.13 C ATOM 0 H LEU B 9 -4.017 -3.285 -6.419 1.00 0.13 H new ATOM 0 HA LEU B 9 -2.598 -4.488 -4.247 1.00 0.12 H new ATOM 0 HB2 LEU B 9 -5.310 -5.201 -5.412 1.00 0.13 H new ATOM 0 HB3 LEU B 9 -4.681 -5.745 -3.869 1.00 0.13 H new ATOM 0 HG LEU B 9 -6.122 -4.059 -3.265 1.00 0.13 H new ATOM 0 HD11 LEU B 9 -4.758 -2.138 -2.537 1.00 0.15 H new ATOM 0 HD12 LEU B 9 -3.935 -3.690 -2.252 1.00 0.15 H new ATOM 0 HD13 LEU B 9 -3.454 -2.667 -3.627 1.00 0.15 H new ATOM 0 HD21 LEU B 9 -6.327 -1.877 -4.369 1.00 0.13 H new ATOM 0 HD22 LEU B 9 -5.102 -2.374 -5.561 1.00 0.13 H new ATOM 0 HD23 LEU B 9 -6.662 -3.228 -5.479 1.00 0.13 H new ATOM 2405 N ASP B 10 -3.000 -6.134 -7.047 1.00 0.14 N ATOM 2406 CA ASP B 10 -2.596 -7.314 -7.807 1.00 0.16 C ATOM 2407 C ASP B 10 -1.089 -7.502 -7.741 1.00 0.15 C ATOM 2408 O ASP B 10 -0.599 -8.521 -7.263 1.00 0.19 O ATOM 2409 CB ASP B 10 -3.032 -7.175 -9.270 1.00 0.20 C ATOM 2410 CG ASP B 10 -2.611 -8.351 -10.132 1.00 0.51 C ATOM 2411 OD1 ASP B 10 -1.431 -8.416 -10.535 1.00 1.19 O ATOM 2412 OD2 ASP B 10 -3.470 -9.202 -10.435 1.00 1.22 O ATOM 0 H ASP B 10 -3.463 -5.415 -7.603 1.00 0.14 H new ATOM 0 HA ASP B 10 -3.080 -8.186 -7.367 1.00 0.16 H new ATOM 0 HB2 ASP B 10 -4.116 -7.072 -9.311 1.00 0.20 H new ATOM 0 HB3 ASP B 10 -2.609 -6.260 -9.683 1.00 0.20 H new ATOM 2417 N VAL B 11 -0.365 -6.493 -8.194 1.00 0.15 N ATOM 2418 CA VAL B 11 1.082 -6.569 -8.310 1.00 0.16 C ATOM 2419 C VAL B 11 1.739 -6.657 -6.944 1.00 0.16 C ATOM 2420 O VAL B 11 2.861 -7.141 -6.818 1.00 0.20 O ATOM 2421 CB VAL B 11 1.639 -5.364 -9.083 1.00 0.18 C ATOM 2422 CG1 VAL B 11 0.896 -5.209 -10.400 1.00 0.21 C ATOM 2423 CG2 VAL B 11 1.545 -4.089 -8.254 1.00 0.17 C ATOM 0 H VAL B 11 -0.761 -5.601 -8.491 1.00 0.15 H new ATOM 0 HA VAL B 11 1.315 -7.477 -8.866 1.00 0.16 H new ATOM 0 HB VAL B 11 2.694 -5.542 -9.292 1.00 0.18 H new ATOM 0 HG11 VAL B 11 1.295 -4.353 -10.944 1.00 0.21 H new ATOM 0 HG12 VAL B 11 1.024 -6.111 -10.998 1.00 0.21 H new ATOM 0 HG13 VAL B 11 -0.164 -5.052 -10.203 1.00 0.21 H new ATOM 0 HG21 VAL B 11 1.946 -3.253 -8.826 1.00 0.17 H new ATOM 0 HG22 VAL B 11 0.502 -3.892 -8.007 1.00 0.17 H new ATOM 0 HG23 VAL B 11 2.119 -4.209 -7.335 1.00 0.17 H new ATOM 2433 N MET B 12 1.028 -6.198 -5.923 1.00 0.16 N ATOM 2434 CA MET B 12 1.492 -6.318 -4.552 1.00 0.20 C ATOM 2435 C MET B 12 1.830 -7.759 -4.226 1.00 0.23 C ATOM 2436 O MET B 12 2.856 -8.025 -3.624 1.00 0.39 O ATOM 2437 CB MET B 12 0.436 -5.800 -3.595 1.00 0.27 C ATOM 2438 CG MET B 12 0.514 -4.304 -3.386 1.00 0.16 C ATOM 2439 SD MET B 12 -0.937 -3.649 -2.555 1.00 0.78 S ATOM 2440 CE MET B 12 -0.300 -2.080 -2.016 1.00 0.19 C ATOM 0 H MET B 12 0.123 -5.737 -6.022 1.00 0.16 H new ATOM 0 HA MET B 12 2.395 -5.718 -4.441 1.00 0.20 H new ATOM 0 HB2 MET B 12 -0.552 -6.057 -3.978 1.00 0.27 H new ATOM 0 HB3 MET B 12 0.546 -6.302 -2.634 1.00 0.27 H new ATOM 0 HG2 MET B 12 1.402 -4.068 -2.800 1.00 0.16 H new ATOM 0 HG3 MET B 12 0.629 -3.811 -4.351 1.00 0.16 H new ATOM 0 HE1 MET B 12 -1.077 -1.537 -1.478 1.00 0.19 H new ATOM 0 HE2 MET B 12 0.553 -2.241 -1.357 1.00 0.19 H new ATOM 0 HE3 MET B 12 0.015 -1.498 -2.882 1.00 0.19 H new ATOM 2450 N VAL B 13 0.956 -8.681 -4.612 1.00 0.18 N ATOM 2451 CA VAL B 13 1.230 -10.099 -4.429 1.00 0.19 C ATOM 2452 C VAL B 13 1.887 -10.721 -5.671 1.00 0.19 C ATOM 2453 O VAL B 13 2.665 -11.668 -5.555 1.00 0.25 O ATOM 2454 CB VAL B 13 -0.032 -10.891 -4.036 1.00 0.20 C ATOM 2455 CG1 VAL B 13 -0.498 -10.477 -2.652 1.00 0.21 C ATOM 2456 CG2 VAL B 13 -1.149 -10.701 -5.046 1.00 0.22 C ATOM 0 H VAL B 13 0.059 -8.474 -5.050 1.00 0.18 H new ATOM 0 HA VAL B 13 1.936 -10.166 -3.602 1.00 0.19 H new ATOM 0 HB VAL B 13 0.228 -11.950 -4.026 1.00 0.20 H new ATOM 0 HG11 VAL B 13 -1.390 -11.043 -2.384 1.00 0.21 H new ATOM 0 HG12 VAL B 13 0.291 -10.679 -1.927 1.00 0.21 H new ATOM 0 HG13 VAL B 13 -0.729 -9.412 -2.649 1.00 0.21 H new ATOM 0 HG21 VAL B 13 -2.022 -11.275 -4.735 1.00 0.22 H new ATOM 0 HG22 VAL B 13 -1.411 -9.645 -5.104 1.00 0.22 H new ATOM 0 HG23 VAL B 13 -0.817 -11.047 -6.025 1.00 0.22 H new ATOM 2466 N SER B 14 1.578 -10.190 -6.854 1.00 0.18 N ATOM 2467 CA SER B 14 2.150 -10.706 -8.100 1.00 0.21 C ATOM 2468 C SER B 14 3.664 -10.487 -8.148 1.00 0.23 C ATOM 2469 O SER B 14 4.436 -11.444 -8.257 1.00 0.26 O ATOM 2470 CB SER B 14 1.481 -10.048 -9.310 1.00 0.23 C ATOM 2471 OG SER B 14 0.091 -10.328 -9.338 1.00 1.12 O ATOM 0 H SER B 14 0.937 -9.406 -6.977 1.00 0.18 H new ATOM 0 HA SER B 14 1.962 -11.779 -8.134 1.00 0.21 H new ATOM 0 HB2 SER B 14 1.638 -8.970 -9.275 1.00 0.23 H new ATOM 0 HB3 SER B 14 1.946 -10.408 -10.228 1.00 0.23 H new ATOM 0 HG SER B 14 -0.393 -9.547 -9.679 1.00 1.12 H new ATOM 2477 N THR B 15 4.082 -9.228 -8.051 1.00 0.24 N ATOM 2478 CA THR B 15 5.496 -8.882 -8.019 1.00 0.26 C ATOM 2479 C THR B 15 6.142 -9.460 -6.761 1.00 0.28 C ATOM 2480 O THR B 15 7.310 -9.845 -6.761 1.00 0.31 O ATOM 2481 CB THR B 15 5.679 -7.348 -8.064 1.00 0.27 C ATOM 2482 OG1 THR B 15 5.033 -6.822 -9.234 1.00 0.33 O ATOM 2483 CG2 THR B 15 7.149 -6.954 -8.075 1.00 0.25 C ATOM 0 H THR B 15 3.454 -8.426 -7.993 1.00 0.24 H new ATOM 0 HA THR B 15 5.984 -9.309 -8.895 1.00 0.26 H new ATOM 0 HB THR B 15 5.227 -6.931 -7.164 1.00 0.27 H new ATOM 0 HG1 THR B 15 5.670 -6.279 -9.743 1.00 0.33 H new ATOM 0 HG21 THR B 15 7.234 -5.868 -8.107 1.00 0.25 H new ATOM 0 HG22 THR B 15 7.633 -7.330 -7.174 1.00 0.25 H new ATOM 0 HG23 THR B 15 7.634 -7.382 -8.952 1.00 0.25 H new ATOM 2491 N PHE B 16 5.349 -9.537 -5.700 1.00 0.30 N ATOM 2492 CA PHE B 16 5.758 -10.169 -4.452 1.00 0.36 C ATOM 2493 C PHE B 16 6.294 -11.571 -4.712 1.00 0.40 C ATOM 2494 O PHE B 16 7.483 -11.827 -4.546 1.00 0.51 O ATOM 2495 CB PHE B 16 4.551 -10.233 -3.522 1.00 0.44 C ATOM 2496 CG PHE B 16 4.808 -10.781 -2.154 1.00 0.34 C ATOM 2497 CD1 PHE B 16 5.352 -9.982 -1.168 1.00 1.27 C ATOM 2498 CD2 PHE B 16 4.467 -12.082 -1.844 1.00 1.21 C ATOM 2499 CE1 PHE B 16 5.557 -10.471 0.104 1.00 1.42 C ATOM 2500 CE2 PHE B 16 4.673 -12.579 -0.579 1.00 1.38 C ATOM 2501 CZ PHE B 16 5.218 -11.771 0.398 1.00 0.97 C ATOM 0 H PHE B 16 4.401 -9.162 -5.681 1.00 0.30 H new ATOM 0 HA PHE B 16 6.554 -9.585 -3.991 1.00 0.36 H new ATOM 0 HB2 PHE B 16 4.143 -9.228 -3.419 1.00 0.44 H new ATOM 0 HB3 PHE B 16 3.782 -10.842 -3.998 1.00 0.44 H new ATOM 0 HD1 PHE B 16 5.620 -8.961 -1.396 1.00 1.27 H new ATOM 0 HD2 PHE B 16 4.034 -12.716 -2.603 1.00 1.21 H new ATOM 0 HE1 PHE B 16 5.982 -9.836 0.867 1.00 1.42 H new ATOM 0 HE2 PHE B 16 4.409 -13.601 -0.350 1.00 1.38 H new ATOM 0 HZ PHE B 16 5.378 -12.159 1.393 1.00 0.97 H new ATOM 2511 N HIS B 17 5.408 -12.454 -5.178 1.00 0.41 N ATOM 2512 CA HIS B 17 5.742 -13.861 -5.415 1.00 0.51 C ATOM 2513 C HIS B 17 6.884 -14.004 -6.416 1.00 0.45 C ATOM 2514 O HIS B 17 7.612 -15.000 -6.409 1.00 0.51 O ATOM 2515 CB HIS B 17 4.518 -14.622 -5.943 1.00 0.68 C ATOM 2516 CG HIS B 17 3.479 -14.943 -4.911 1.00 1.09 C ATOM 2517 ND1 HIS B 17 2.897 -16.186 -4.800 1.00 2.16 N ATOM 2518 CD2 HIS B 17 2.892 -14.177 -3.961 1.00 1.26 C ATOM 2519 CE1 HIS B 17 2.002 -16.168 -3.832 1.00 2.82 C ATOM 2520 NE2 HIS B 17 1.980 -14.963 -3.304 1.00 2.30 N ATOM 0 H HIS B 17 4.442 -12.215 -5.401 1.00 0.41 H new ATOM 0 HA HIS B 17 6.057 -14.283 -4.461 1.00 0.51 H new ATOM 0 HB2 HIS B 17 4.054 -14.031 -6.733 1.00 0.68 H new ATOM 0 HB3 HIS B 17 4.856 -15.553 -6.398 1.00 0.68 H new ATOM 0 HD2 HIS B 17 3.103 -13.138 -3.758 1.00 1.26 H new ATOM 0 HE1 HIS B 17 1.390 -17.003 -3.524 1.00 2.82 H new ATOM 0 HE2 HIS B 17 1.383 -14.663 -2.533 1.00 2.30 H new ATOM 2529 N LYS B 18 7.033 -13.002 -7.270 1.00 0.42 N ATOM 2530 CA LYS B 18 8.013 -13.037 -8.342 1.00 0.46 C ATOM 2531 C LYS B 18 9.437 -12.867 -7.812 1.00 0.45 C ATOM 2532 O LYS B 18 10.378 -13.460 -8.343 1.00 0.62 O ATOM 2533 CB LYS B 18 7.693 -11.935 -9.353 1.00 0.55 C ATOM 2534 CG LYS B 18 8.536 -11.984 -10.613 1.00 0.76 C ATOM 2535 CD LYS B 18 8.185 -10.853 -11.552 1.00 0.71 C ATOM 2536 CE LYS B 18 8.973 -10.952 -12.840 1.00 1.40 C ATOM 2537 NZ LYS B 18 8.615 -12.170 -13.615 1.00 1.67 N ATOM 0 H LYS B 18 6.480 -12.146 -7.239 1.00 0.42 H new ATOM 0 HA LYS B 18 7.959 -14.013 -8.825 1.00 0.46 H new ATOM 0 HB2 LYS B 18 6.641 -12.006 -9.630 1.00 0.55 H new ATOM 0 HB3 LYS B 18 7.832 -10.966 -8.874 1.00 0.55 H new ATOM 0 HG2 LYS B 18 9.592 -11.926 -10.349 1.00 0.76 H new ATOM 0 HG3 LYS B 18 8.385 -12.938 -11.117 1.00 0.76 H new ATOM 0 HD2 LYS B 18 7.118 -10.876 -11.772 1.00 0.71 H new ATOM 0 HD3 LYS B 18 8.390 -9.898 -11.069 1.00 0.71 H new ATOM 0 HE2 LYS B 18 8.788 -10.067 -13.448 1.00 1.40 H new ATOM 0 HE3 LYS B 18 10.039 -10.966 -12.614 1.00 1.40 H new ATOM 0 HZ1 LYS B 18 8.958 -12.073 -14.592 1.00 1.67 H new ATOM 0 HZ2 LYS B 18 9.055 -13.003 -13.175 1.00 1.67 H new ATOM 0 HZ3 LYS B 18 7.582 -12.286 -13.621 1.00 1.67 H new ATOM 2551 N TYR B 19 9.601 -12.073 -6.764 1.00 0.39 N ATOM 2552 CA TYR B 19 10.938 -11.756 -6.268 1.00 0.43 C ATOM 2553 C TYR B 19 11.221 -12.404 -4.915 1.00 0.50 C ATOM 2554 O TYR B 19 12.369 -12.696 -4.607 1.00 0.74 O ATOM 2555 CB TYR B 19 11.134 -10.241 -6.178 1.00 0.46 C ATOM 2556 CG TYR B 19 11.076 -9.535 -7.518 1.00 0.41 C ATOM 2557 CD1 TYR B 19 9.860 -9.235 -8.108 1.00 1.17 C ATOM 2558 CD2 TYR B 19 12.236 -9.168 -8.191 1.00 1.17 C ATOM 2559 CE1 TYR B 19 9.790 -8.594 -9.324 1.00 1.21 C ATOM 2560 CE2 TYR B 19 12.176 -8.522 -9.414 1.00 1.17 C ATOM 2561 CZ TYR B 19 10.946 -8.239 -9.974 1.00 0.50 C ATOM 2562 OH TYR B 19 10.869 -7.597 -11.188 1.00 0.61 O ATOM 0 H TYR B 19 8.838 -11.640 -6.244 1.00 0.39 H new ATOM 0 HA TYR B 19 11.649 -12.168 -6.984 1.00 0.43 H new ATOM 0 HB2 TYR B 19 10.368 -9.823 -5.525 1.00 0.46 H new ATOM 0 HB3 TYR B 19 12.098 -10.036 -5.711 1.00 0.46 H new ATOM 0 HD1 TYR B 19 8.946 -9.510 -7.603 1.00 1.17 H new ATOM 0 HD2 TYR B 19 13.198 -9.390 -7.753 1.00 1.17 H new ATOM 0 HE1 TYR B 19 8.830 -8.371 -9.765 1.00 1.21 H new ATOM 0 HE2 TYR B 19 13.084 -8.241 -9.926 1.00 1.17 H new ATOM 0 HH TYR B 19 10.005 -7.140 -11.262 1.00 0.61 H new ATOM 2572 N SER B 20 10.185 -12.632 -4.116 1.00 0.41 N ATOM 2573 CA SER B 20 10.371 -13.216 -2.790 1.00 0.48 C ATOM 2574 C SER B 20 10.858 -14.657 -2.894 1.00 0.57 C ATOM 2575 O SER B 20 11.858 -15.036 -2.283 1.00 0.70 O ATOM 2576 CB SER B 20 9.064 -13.155 -2.002 1.00 0.49 C ATOM 2577 OG SER B 20 8.002 -13.748 -2.733 1.00 0.53 O ATOM 0 H SER B 20 9.216 -12.424 -4.358 1.00 0.41 H new ATOM 0 HA SER B 20 11.130 -12.638 -2.264 1.00 0.48 H new ATOM 0 HB2 SER B 20 9.186 -13.669 -1.049 1.00 0.49 H new ATOM 0 HB3 SER B 20 8.820 -12.117 -1.776 1.00 0.49 H new ATOM 0 HG SER B 20 7.668 -13.112 -3.399 1.00 0.53 H new ATOM 2583 N GLY B 21 10.157 -15.447 -3.698 1.00 0.57 N ATOM 2584 CA GLY B 21 10.490 -16.850 -3.848 1.00 0.68 C ATOM 2585 C GLY B 21 11.660 -17.078 -4.784 1.00 0.71 C ATOM 2586 O GLY B 21 11.653 -18.016 -5.582 1.00 0.86 O ATOM 0 H GLY B 21 9.358 -15.138 -4.252 1.00 0.57 H new ATOM 0 HA2 GLY B 21 10.726 -17.270 -2.870 1.00 0.68 H new ATOM 0 HA3 GLY B 21 9.619 -17.387 -4.224 1.00 0.68 H new ATOM 2590 N LYS B 22 12.658 -16.215 -4.696 1.00 0.73 N ATOM 2591 CA LYS B 22 13.851 -16.347 -5.501 1.00 0.79 C ATOM 2592 C LYS B 22 15.000 -16.858 -4.643 1.00 0.88 C ATOM 2593 O LYS B 22 15.460 -17.986 -4.819 1.00 0.96 O ATOM 2594 CB LYS B 22 14.194 -15.003 -6.143 1.00 0.81 C ATOM 2595 CG LYS B 22 15.437 -15.035 -7.009 1.00 1.23 C ATOM 2596 CD LYS B 22 15.554 -13.783 -7.862 1.00 1.30 C ATOM 2597 CE LYS B 22 14.372 -13.648 -8.809 1.00 1.75 C ATOM 2598 NZ LYS B 22 14.623 -12.654 -9.885 1.00 2.10 N ATOM 0 H LYS B 22 12.661 -15.411 -4.069 1.00 0.73 H new ATOM 0 HA LYS B 22 13.676 -17.070 -6.298 1.00 0.79 H new ATOM 0 HB2 LYS B 22 13.349 -14.675 -6.749 1.00 0.81 H new ATOM 0 HB3 LYS B 22 14.330 -14.260 -5.357 1.00 0.81 H new ATOM 0 HG2 LYS B 22 16.320 -15.130 -6.377 1.00 1.23 H new ATOM 0 HG3 LYS B 22 15.411 -15.914 -7.653 1.00 1.23 H new ATOM 0 HD2 LYS B 22 15.609 -12.905 -7.218 1.00 1.30 H new ATOM 0 HD3 LYS B 22 16.480 -13.816 -8.435 1.00 1.30 H new ATOM 0 HE2 LYS B 22 14.155 -14.618 -9.257 1.00 1.75 H new ATOM 0 HE3 LYS B 22 13.488 -13.353 -8.244 1.00 1.75 H new ATOM 0 HZ1 LYS B 22 13.751 -12.509 -10.434 1.00 2.10 H new ATOM 0 HZ2 LYS B 22 14.920 -11.752 -9.462 1.00 2.10 H new ATOM 0 HZ3 LYS B 22 15.373 -13.005 -10.514 1.00 2.10 H new ATOM 2612 N GLU B 23 15.445 -16.039 -3.703 1.00 0.97 N ATOM 2613 CA GLU B 23 16.520 -16.425 -2.802 1.00 1.14 C ATOM 2614 C GLU B 23 16.009 -16.538 -1.368 1.00 1.25 C ATOM 2615 O GLU B 23 16.794 -16.647 -0.420 1.00 1.57 O ATOM 2616 CB GLU B 23 17.661 -15.409 -2.870 1.00 1.46 C ATOM 2617 CG GLU B 23 18.293 -15.285 -4.248 1.00 1.92 C ATOM 2618 CD GLU B 23 18.909 -16.581 -4.731 1.00 2.47 C ATOM 2619 OE1 GLU B 23 19.861 -17.070 -4.085 1.00 2.95 O ATOM 2620 OE2 GLU B 23 18.466 -17.108 -5.774 1.00 3.11 O ATOM 0 H GLU B 23 15.078 -15.101 -3.544 1.00 0.97 H new ATOM 0 HA GLU B 23 16.893 -17.400 -3.116 1.00 1.14 H new ATOM 0 HB2 GLU B 23 17.284 -14.433 -2.564 1.00 1.46 H new ATOM 0 HB3 GLU B 23 18.431 -15.693 -2.152 1.00 1.46 H new ATOM 0 HG2 GLU B 23 17.536 -14.960 -4.962 1.00 1.92 H new ATOM 0 HG3 GLU B 23 19.060 -14.511 -4.222 1.00 1.92 H new ATOM 2627 N GLY B 24 14.691 -16.510 -1.213 1.00 1.31 N ATOM 2628 CA GLY B 24 14.089 -16.646 0.098 1.00 1.56 C ATOM 2629 C GLY B 24 12.744 -17.339 0.031 1.00 1.33 C ATOM 2630 O GLY B 24 12.438 -18.009 -0.960 1.00 1.43 O ATOM 0 H GLY B 24 14.026 -16.395 -1.977 1.00 1.31 H new ATOM 0 HA2 GLY B 24 14.757 -17.211 0.748 1.00 1.56 H new ATOM 0 HA3 GLY B 24 13.968 -15.660 0.546 1.00 1.56 H new ATOM 2634 N ASP B 25 11.943 -17.193 1.082 1.00 1.16 N ATOM 2635 CA ASP B 25 10.596 -17.759 1.096 1.00 1.06 C ATOM 2636 C ASP B 25 9.735 -17.043 0.072 1.00 0.90 C ATOM 2637 O ASP B 25 9.938 -15.862 -0.193 1.00 0.91 O ATOM 2638 CB ASP B 25 9.936 -17.619 2.473 1.00 1.15 C ATOM 2639 CG ASP B 25 10.726 -18.261 3.589 1.00 1.33 C ATOM 2640 OD1 ASP B 25 10.768 -19.509 3.653 1.00 1.82 O ATOM 2641 OD2 ASP B 25 11.298 -17.517 4.415 1.00 1.98 O ATOM 0 H ASP B 25 12.200 -16.690 1.932 1.00 1.16 H new ATOM 0 HA ASP B 25 10.681 -18.819 0.858 1.00 1.06 H new ATOM 0 HB2 ASP B 25 9.801 -16.561 2.696 1.00 1.15 H new ATOM 0 HB3 ASP B 25 8.943 -18.066 2.438 1.00 1.15 H new ATOM 2646 N LYS B 26 8.745 -17.736 -0.468 1.00 0.95 N ATOM 2647 CA LYS B 26 7.887 -17.153 -1.500 1.00 0.88 C ATOM 2648 C LYS B 26 6.989 -16.043 -0.937 1.00 0.83 C ATOM 2649 O LYS B 26 6.203 -15.436 -1.665 1.00 0.88 O ATOM 2650 CB LYS B 26 7.064 -18.248 -2.201 1.00 1.08 C ATOM 2651 CG LYS B 26 6.198 -19.111 -1.282 1.00 1.43 C ATOM 2652 CD LYS B 26 4.904 -18.425 -0.864 1.00 1.59 C ATOM 2653 CE LYS B 26 3.940 -18.251 -2.030 1.00 1.81 C ATOM 2654 NZ LYS B 26 3.602 -19.545 -2.680 1.00 2.62 N ATOM 0 H LYS B 26 8.513 -18.696 -0.215 1.00 0.95 H new ATOM 0 HA LYS B 26 8.531 -16.686 -2.245 1.00 0.88 H new ATOM 0 HB2 LYS B 26 6.418 -17.775 -2.941 1.00 1.08 H new ATOM 0 HB3 LYS B 26 7.748 -18.900 -2.745 1.00 1.08 H new ATOM 0 HG2 LYS B 26 5.959 -20.046 -1.790 1.00 1.43 H new ATOM 0 HG3 LYS B 26 6.770 -19.369 -0.391 1.00 1.43 H new ATOM 0 HD2 LYS B 26 4.422 -19.010 -0.081 1.00 1.59 H new ATOM 0 HD3 LYS B 26 5.134 -17.449 -0.437 1.00 1.59 H new ATOM 0 HE2 LYS B 26 3.026 -17.775 -1.675 1.00 1.81 H new ATOM 0 HE3 LYS B 26 4.382 -17.581 -2.767 1.00 1.81 H new ATOM 0 HZ1 LYS B 26 2.582 -19.577 -2.880 1.00 2.62 H new ATOM 0 HZ2 LYS B 26 4.132 -19.635 -3.570 1.00 2.62 H new ATOM 0 HZ3 LYS B 26 3.855 -20.329 -2.045 1.00 2.62 H new ATOM 2668 N PHE B 27 7.117 -15.785 0.356 1.00 0.79 N ATOM 2669 CA PHE B 27 6.428 -14.675 1.008 1.00 0.79 C ATOM 2670 C PHE B 27 7.404 -13.861 1.845 1.00 0.71 C ATOM 2671 O PHE B 27 7.000 -13.032 2.656 1.00 0.70 O ATOM 2672 CB PHE B 27 5.249 -15.173 1.862 1.00 0.99 C ATOM 2673 CG PHE B 27 5.565 -16.336 2.768 1.00 0.72 C ATOM 2674 CD1 PHE B 27 6.446 -16.197 3.832 1.00 1.53 C ATOM 2675 CD2 PHE B 27 4.964 -17.565 2.563 1.00 1.64 C ATOM 2676 CE1 PHE B 27 6.721 -17.264 4.664 1.00 2.34 C ATOM 2677 CE2 PHE B 27 5.237 -18.636 3.392 1.00 2.41 C ATOM 2678 CZ PHE B 27 6.116 -18.486 4.444 1.00 2.60 C ATOM 0 H PHE B 27 7.700 -16.337 0.985 1.00 0.79 H new ATOM 0 HA PHE B 27 6.019 -14.028 0.232 1.00 0.79 H new ATOM 0 HB2 PHE B 27 4.886 -14.345 2.471 1.00 0.99 H new ATOM 0 HB3 PHE B 27 4.434 -15.461 1.197 1.00 0.99 H new ATOM 0 HD1 PHE B 27 6.921 -15.244 4.011 1.00 1.53 H new ATOM 0 HD2 PHE B 27 4.272 -17.689 1.743 1.00 1.64 H new ATOM 0 HE1 PHE B 27 7.410 -17.143 5.487 1.00 2.34 H new ATOM 0 HE2 PHE B 27 4.762 -19.590 3.216 1.00 2.41 H new ATOM 0 HZ PHE B 27 6.331 -19.321 5.094 1.00 2.60 H new ATOM 2688 N LYS B 28 8.689 -14.102 1.644 1.00 0.69 N ATOM 2689 CA LYS B 28 9.707 -13.440 2.436 1.00 0.68 C ATOM 2690 C LYS B 28 10.736 -12.765 1.541 1.00 0.50 C ATOM 2691 O LYS B 28 11.411 -13.428 0.755 1.00 0.54 O ATOM 2692 CB LYS B 28 10.408 -14.463 3.320 1.00 0.92 C ATOM 2693 CG LYS B 28 11.023 -13.877 4.572 1.00 0.93 C ATOM 2694 CD LYS B 28 9.967 -13.592 5.627 1.00 0.98 C ATOM 2695 CE LYS B 28 9.235 -14.864 6.036 1.00 1.51 C ATOM 2696 NZ LYS B 28 10.175 -15.958 6.409 1.00 1.98 N ATOM 0 H LYS B 28 9.049 -14.749 0.942 1.00 0.69 H new ATOM 0 HA LYS B 28 9.225 -12.680 3.051 1.00 0.68 H new ATOM 0 HB2 LYS B 28 9.691 -15.233 3.606 1.00 0.92 H new ATOM 0 HB3 LYS B 28 11.189 -14.955 2.740 1.00 0.92 H new ATOM 0 HG2 LYS B 28 11.763 -14.569 4.974 1.00 0.93 H new ATOM 0 HG3 LYS B 28 11.549 -12.955 4.324 1.00 0.93 H new ATOM 0 HD2 LYS B 28 10.436 -13.143 6.502 1.00 0.98 H new ATOM 0 HD3 LYS B 28 9.251 -12.866 5.241 1.00 0.98 H new ATOM 0 HE2 LYS B 28 8.578 -14.648 6.879 1.00 1.51 H new ATOM 0 HE3 LYS B 28 8.601 -15.196 5.214 1.00 1.51 H new ATOM 0 HZ1 LYS B 28 9.648 -16.727 6.870 1.00 1.98 H new ATOM 0 HZ2 LYS B 28 10.641 -16.322 5.553 1.00 1.98 H new ATOM 0 HZ3 LYS B 28 10.894 -15.590 7.065 1.00 1.98 H new ATOM 2710 N LEU B 29 10.862 -11.456 1.666 1.00 0.38 N ATOM 2711 CA LEU B 29 11.854 -10.721 0.895 1.00 0.32 C ATOM 2712 C LEU B 29 12.943 -10.179 1.802 1.00 0.33 C ATOM 2713 O LEU B 29 12.693 -9.316 2.643 1.00 0.42 O ATOM 2714 CB LEU B 29 11.226 -9.562 0.114 1.00 0.29 C ATOM 2715 CG LEU B 29 10.248 -9.958 -0.992 1.00 0.29 C ATOM 2716 CD1 LEU B 29 8.856 -10.148 -0.428 1.00 0.34 C ATOM 2717 CD2 LEU B 29 10.243 -8.915 -2.097 1.00 0.31 C ATOM 0 H LEU B 29 10.295 -10.881 2.289 1.00 0.38 H new ATOM 0 HA LEU B 29 12.285 -11.424 0.182 1.00 0.32 H new ATOM 0 HB2 LEU B 29 10.705 -8.914 0.819 1.00 0.29 H new ATOM 0 HB3 LEU B 29 12.027 -8.971 -0.330 1.00 0.29 H new ATOM 0 HG LEU B 29 10.575 -10.906 -1.419 1.00 0.29 H new ATOM 0 HD11 LEU B 29 8.174 -10.430 -1.230 1.00 0.34 H new ATOM 0 HD12 LEU B 29 8.873 -10.934 0.326 1.00 0.34 H new ATOM 0 HD13 LEU B 29 8.517 -9.217 0.026 1.00 0.34 H new ATOM 0 HD21 LEU B 29 9.541 -9.213 -2.876 1.00 0.31 H new ATOM 0 HD22 LEU B 29 9.941 -7.951 -1.686 1.00 0.31 H new ATOM 0 HD23 LEU B 29 11.243 -8.831 -2.523 1.00 0.31 H new ATOM 2729 N ASN B 30 14.149 -10.699 1.647 1.00 0.31 N ATOM 2730 CA ASN B 30 15.300 -10.156 2.350 1.00 0.31 C ATOM 2731 C ASN B 30 15.836 -8.952 1.584 1.00 0.27 C ATOM 2732 O ASN B 30 15.193 -8.479 0.642 1.00 0.26 O ATOM 2733 CB ASN B 30 16.404 -11.210 2.520 1.00 0.35 C ATOM 2734 CG ASN B 30 17.101 -11.547 1.221 1.00 0.58 C ATOM 2735 OD1 ASN B 30 18.088 -10.911 0.845 1.00 1.17 O ATOM 2736 ND2 ASN B 30 16.603 -12.550 0.533 1.00 0.60 N ATOM 0 H ASN B 30 14.357 -11.494 1.043 1.00 0.31 H new ATOM 0 HA ASN B 30 14.983 -9.849 3.346 1.00 0.31 H new ATOM 0 HB2 ASN B 30 17.140 -10.846 3.237 1.00 0.35 H new ATOM 0 HB3 ASN B 30 15.971 -12.118 2.940 1.00 0.35 H new ATOM 0 HD21 ASN B 30 17.035 -12.828 -0.348 1.00 0.60 H new ATOM 0 HD22 ASN B 30 15.785 -13.050 0.880 1.00 0.60 H new ATOM 2743 N LYS B 31 17.001 -8.458 1.999 1.00 0.27 N ATOM 2744 CA LYS B 31 17.630 -7.302 1.365 1.00 0.26 C ATOM 2745 C LYS B 31 17.613 -7.420 -0.161 1.00 0.25 C ATOM 2746 O LYS B 31 17.156 -6.518 -0.860 1.00 0.28 O ATOM 2747 CB LYS B 31 19.089 -7.173 1.806 1.00 0.29 C ATOM 2748 CG LYS B 31 19.301 -7.030 3.302 1.00 0.40 C ATOM 2749 CD LYS B 31 20.790 -6.955 3.615 1.00 0.49 C ATOM 2750 CE LYS B 31 21.064 -6.813 5.101 1.00 1.20 C ATOM 2751 NZ LYS B 31 20.620 -5.500 5.630 1.00 1.72 N ATOM 0 H LYS B 31 17.532 -8.845 2.779 1.00 0.27 H new ATOM 0 HA LYS B 31 17.058 -6.426 1.672 1.00 0.26 H new ATOM 0 HB2 LYS B 31 19.636 -8.050 1.460 1.00 0.29 H new ATOM 0 HB3 LYS B 31 19.527 -6.308 1.309 1.00 0.29 H new ATOM 0 HG2 LYS B 31 18.800 -6.132 3.664 1.00 0.40 H new ATOM 0 HG3 LYS B 31 18.854 -7.877 3.823 1.00 0.40 H new ATOM 0 HD2 LYS B 31 21.282 -7.853 3.242 1.00 0.49 H new ATOM 0 HD3 LYS B 31 21.227 -6.109 3.085 1.00 0.49 H new ATOM 0 HE2 LYS B 31 20.554 -7.611 5.641 1.00 1.20 H new ATOM 0 HE3 LYS B 31 22.131 -6.935 5.285 1.00 1.20 H new ATOM 0 HZ1 LYS B 31 21.436 -4.993 6.029 1.00 1.72 H new ATOM 0 HZ2 LYS B 31 20.205 -4.938 4.860 1.00 1.72 H new ATOM 0 HZ3 LYS B 31 19.908 -5.648 6.373 1.00 1.72 H new ATOM 2765 N SER B 32 18.099 -8.546 -0.662 1.00 0.25 N ATOM 2766 CA SER B 32 18.298 -8.734 -2.091 1.00 0.27 C ATOM 2767 C SER B 32 16.970 -8.806 -2.841 1.00 0.24 C ATOM 2768 O SER B 32 16.830 -8.225 -3.919 1.00 0.27 O ATOM 2769 CB SER B 32 19.110 -10.006 -2.337 1.00 0.35 C ATOM 2770 OG SER B 32 19.485 -10.132 -3.699 1.00 1.27 O ATOM 0 H SER B 32 18.365 -9.350 -0.094 1.00 0.25 H new ATOM 0 HA SER B 32 18.845 -7.871 -2.471 1.00 0.27 H new ATOM 0 HB2 SER B 32 20.004 -9.994 -1.713 1.00 0.35 H new ATOM 0 HB3 SER B 32 18.524 -10.875 -2.039 1.00 0.35 H new ATOM 0 HG SER B 32 20.004 -10.955 -3.821 1.00 1.27 H new ATOM 2776 N GLU B 33 15.996 -9.495 -2.260 1.00 0.25 N ATOM 2777 CA GLU B 33 14.724 -9.716 -2.934 1.00 0.27 C ATOM 2778 C GLU B 33 13.985 -8.397 -3.083 1.00 0.24 C ATOM 2779 O GLU B 33 13.441 -8.088 -4.143 1.00 0.26 O ATOM 2780 CB GLU B 33 13.859 -10.716 -2.164 1.00 0.34 C ATOM 2781 CG GLU B 33 14.609 -11.947 -1.677 1.00 0.47 C ATOM 2782 CD GLU B 33 15.466 -12.600 -2.747 1.00 0.83 C ATOM 2783 OE1 GLU B 33 14.947 -13.442 -3.499 1.00 1.65 O ATOM 2784 OE2 GLU B 33 16.676 -12.285 -2.815 1.00 1.43 O ATOM 0 H GLU B 33 16.062 -9.908 -1.330 1.00 0.25 H new ATOM 0 HA GLU B 33 14.927 -10.132 -3.921 1.00 0.27 H new ATOM 0 HB2 GLU B 33 13.417 -10.211 -1.305 1.00 0.34 H new ATOM 0 HB3 GLU B 33 13.036 -11.035 -2.804 1.00 0.34 H new ATOM 0 HG2 GLU B 33 15.244 -11.666 -0.836 1.00 0.47 H new ATOM 0 HG3 GLU B 33 13.890 -12.676 -1.304 1.00 0.47 H new ATOM 2791 N LEU B 34 13.991 -7.614 -2.009 1.00 0.21 N ATOM 2792 CA LEU B 34 13.391 -6.295 -2.031 1.00 0.21 C ATOM 2793 C LEU B 34 14.133 -5.378 -2.982 1.00 0.20 C ATOM 2794 O LEU B 34 13.517 -4.686 -3.789 1.00 0.24 O ATOM 2795 CB LEU B 34 13.380 -5.691 -0.632 1.00 0.21 C ATOM 2796 CG LEU B 34 12.164 -6.054 0.206 1.00 0.21 C ATOM 2797 CD1 LEU B 34 12.363 -5.619 1.646 1.00 0.24 C ATOM 2798 CD2 LEU B 34 10.921 -5.408 -0.382 1.00 0.21 C ATOM 0 H LEU B 34 14.406 -7.875 -1.115 1.00 0.21 H new ATOM 0 HA LEU B 34 12.364 -6.400 -2.381 1.00 0.21 H new ATOM 0 HB2 LEU B 34 14.278 -6.014 -0.104 1.00 0.21 H new ATOM 0 HB3 LEU B 34 13.434 -4.606 -0.719 1.00 0.21 H new ATOM 0 HG LEU B 34 12.036 -7.136 0.194 1.00 0.21 H new ATOM 0 HD11 LEU B 34 11.483 -5.886 2.232 1.00 0.24 H new ATOM 0 HD12 LEU B 34 13.240 -6.118 2.059 1.00 0.24 H new ATOM 0 HD13 LEU B 34 12.509 -4.539 1.683 1.00 0.24 H new ATOM 0 HD21 LEU B 34 10.053 -5.672 0.223 1.00 0.21 H new ATOM 0 HD22 LEU B 34 11.043 -4.325 -0.389 1.00 0.21 H new ATOM 0 HD23 LEU B 34 10.774 -5.763 -1.402 1.00 0.21 H new ATOM 2810 N LYS B 35 15.458 -5.386 -2.895 1.00 0.21 N ATOM 2811 CA LYS B 35 16.270 -4.521 -3.730 1.00 0.26 C ATOM 2812 C LYS B 35 15.983 -4.759 -5.195 1.00 0.22 C ATOM 2813 O LYS B 35 15.700 -3.820 -5.926 1.00 0.24 O ATOM 2814 CB LYS B 35 17.761 -4.709 -3.456 1.00 0.37 C ATOM 2815 CG LYS B 35 18.630 -3.750 -4.254 1.00 0.54 C ATOM 2816 CD LYS B 35 20.011 -3.593 -3.632 1.00 0.68 C ATOM 2817 CE LYS B 35 20.808 -4.878 -3.720 1.00 0.61 C ATOM 2818 NZ LYS B 35 22.116 -4.776 -3.018 1.00 0.95 N ATOM 0 H LYS B 35 15.987 -5.980 -2.257 1.00 0.21 H new ATOM 0 HA LYS B 35 16.005 -3.494 -3.479 1.00 0.26 H new ATOM 0 HB2 LYS B 35 17.952 -4.566 -2.392 1.00 0.37 H new ATOM 0 HB3 LYS B 35 18.044 -5.734 -3.696 1.00 0.37 H new ATOM 0 HG2 LYS B 35 18.730 -4.114 -5.276 1.00 0.54 H new ATOM 0 HG3 LYS B 35 18.143 -2.777 -4.309 1.00 0.54 H new ATOM 0 HD2 LYS B 35 20.551 -2.793 -4.139 1.00 0.68 H new ATOM 0 HD3 LYS B 35 19.910 -3.297 -2.588 1.00 0.68 H new ATOM 0 HE2 LYS B 35 20.228 -5.694 -3.288 1.00 0.61 H new ATOM 0 HE3 LYS B 35 20.978 -5.127 -4.767 1.00 0.61 H new ATOM 0 HZ1 LYS B 35 22.627 -5.678 -3.104 1.00 0.95 H new ATOM 0 HZ2 LYS B 35 22.681 -4.015 -3.446 1.00 0.95 H new ATOM 0 HZ3 LYS B 35 21.955 -4.564 -2.013 1.00 0.95 H new ATOM 2832 N GLU B 36 16.025 -6.012 -5.614 1.00 0.22 N ATOM 2833 CA GLU B 36 15.771 -6.341 -7.004 1.00 0.24 C ATOM 2834 C GLU B 36 14.371 -5.885 -7.399 1.00 0.25 C ATOM 2835 O GLU B 36 14.176 -5.286 -8.455 1.00 0.32 O ATOM 2836 CB GLU B 36 15.904 -7.834 -7.238 1.00 0.28 C ATOM 2837 CG GLU B 36 16.272 -8.169 -8.666 1.00 0.65 C ATOM 2838 CD GLU B 36 16.228 -9.654 -8.956 1.00 0.77 C ATOM 2839 OE1 GLU B 36 17.206 -10.354 -8.620 1.00 1.30 O ATOM 2840 OE2 GLU B 36 15.227 -10.126 -9.538 1.00 1.48 O ATOM 0 H GLU B 36 16.231 -6.812 -5.016 1.00 0.22 H new ATOM 0 HA GLU B 36 16.509 -5.825 -7.618 1.00 0.24 H new ATOM 0 HB2 GLU B 36 16.663 -8.237 -6.567 1.00 0.28 H new ATOM 0 HB3 GLU B 36 14.963 -8.323 -6.985 1.00 0.28 H new ATOM 0 HG2 GLU B 36 15.590 -7.652 -9.342 1.00 0.65 H new ATOM 0 HG3 GLU B 36 17.274 -7.793 -8.875 1.00 0.65 H new ATOM 2847 N LEU B 37 13.407 -6.161 -6.528 1.00 0.23 N ATOM 2848 CA LEU B 37 12.028 -5.731 -6.725 1.00 0.26 C ATOM 2849 C LEU B 37 11.978 -4.229 -6.990 1.00 0.22 C ATOM 2850 O LEU B 37 11.399 -3.774 -7.980 1.00 0.22 O ATOM 2851 CB LEU B 37 11.215 -6.075 -5.477 1.00 0.32 C ATOM 2852 CG LEU B 37 9.701 -5.921 -5.594 1.00 0.41 C ATOM 2853 CD1 LEU B 37 9.012 -7.186 -5.112 1.00 0.34 C ATOM 2854 CD2 LEU B 37 9.226 -4.724 -4.785 1.00 0.74 C ATOM 0 H LEU B 37 13.559 -6.688 -5.668 1.00 0.23 H new ATOM 0 HA LEU B 37 11.605 -6.246 -7.588 1.00 0.26 H new ATOM 0 HB2 LEU B 37 11.434 -7.106 -5.199 1.00 0.32 H new ATOM 0 HB3 LEU B 37 11.561 -5.444 -4.658 1.00 0.32 H new ATOM 0 HG LEU B 37 9.446 -5.755 -6.641 1.00 0.41 H new ATOM 0 HD11 LEU B 37 7.932 -7.068 -5.199 1.00 0.34 H new ATOM 0 HD12 LEU B 37 9.335 -8.031 -5.721 1.00 0.34 H new ATOM 0 HD13 LEU B 37 9.274 -7.369 -4.070 1.00 0.34 H new ATOM 0 HD21 LEU B 37 8.144 -4.628 -4.879 1.00 0.74 H new ATOM 0 HD22 LEU B 37 9.488 -4.866 -3.737 1.00 0.74 H new ATOM 0 HD23 LEU B 37 9.705 -3.819 -5.159 1.00 0.74 H new ATOM 2866 N LEU B 38 12.620 -3.469 -6.112 1.00 0.19 N ATOM 2867 CA LEU B 38 12.665 -2.021 -6.230 1.00 0.19 C ATOM 2868 C LEU B 38 13.477 -1.577 -7.453 1.00 0.19 C ATOM 2869 O LEU B 38 13.047 -0.700 -8.187 1.00 0.21 O ATOM 2870 CB LEU B 38 13.229 -1.399 -4.946 1.00 0.19 C ATOM 2871 CG LEU B 38 12.221 -1.233 -3.801 1.00 0.19 C ATOM 2872 CD1 LEU B 38 12.670 -2.000 -2.565 1.00 0.20 C ATOM 2873 CD2 LEU B 38 12.040 0.240 -3.468 1.00 0.20 C ATOM 0 H LEU B 38 13.121 -3.838 -5.304 1.00 0.19 H new ATOM 0 HA LEU B 38 11.644 -1.666 -6.372 1.00 0.19 H new ATOM 0 HB2 LEU B 38 14.055 -2.018 -4.594 1.00 0.19 H new ATOM 0 HB3 LEU B 38 13.644 -0.420 -5.188 1.00 0.19 H new ATOM 0 HG LEU B 38 11.265 -1.642 -4.128 1.00 0.19 H new ATOM 0 HD11 LEU B 38 11.939 -1.866 -1.768 1.00 0.20 H new ATOM 0 HD12 LEU B 38 12.755 -3.060 -2.805 1.00 0.20 H new ATOM 0 HD13 LEU B 38 13.639 -1.624 -2.235 1.00 0.20 H new ATOM 0 HD21 LEU B 38 11.322 0.344 -2.654 1.00 0.20 H new ATOM 0 HD22 LEU B 38 12.997 0.665 -3.164 1.00 0.20 H new ATOM 0 HD23 LEU B 38 11.671 0.769 -4.347 1.00 0.20 H new ATOM 2885 N THR B 39 14.632 -2.193 -7.689 1.00 0.20 N ATOM 2886 CA THR B 39 15.476 -1.820 -8.829 1.00 0.22 C ATOM 2887 C THR B 39 14.739 -2.008 -10.148 1.00 0.23 C ATOM 2888 O THR B 39 14.981 -1.291 -11.119 1.00 0.27 O ATOM 2889 CB THR B 39 16.781 -2.643 -8.886 1.00 0.25 C ATOM 2890 OG1 THR B 39 16.494 -4.044 -8.977 1.00 0.30 O ATOM 2891 CG2 THR B 39 17.637 -2.392 -7.666 1.00 0.27 C ATOM 0 H THR B 39 15.006 -2.947 -7.113 1.00 0.20 H new ATOM 0 HA THR B 39 15.723 -0.768 -8.684 1.00 0.22 H new ATOM 0 HB THR B 39 17.327 -2.326 -9.775 1.00 0.25 H new ATOM 0 HG1 THR B 39 15.536 -4.192 -8.833 1.00 0.30 H new ATOM 0 HG21 THR B 39 18.549 -2.985 -7.733 1.00 0.27 H new ATOM 0 HG22 THR B 39 17.895 -1.334 -7.614 1.00 0.27 H new ATOM 0 HG23 THR B 39 17.085 -2.676 -6.770 1.00 0.27 H new ATOM 2899 N ARG B 40 13.843 -2.978 -10.167 1.00 0.24 N ATOM 2900 CA ARG B 40 13.106 -3.311 -11.367 1.00 0.27 C ATOM 2901 C ARG B 40 11.867 -2.441 -11.515 1.00 0.27 C ATOM 2902 O ARG B 40 11.749 -1.669 -12.465 1.00 0.30 O ATOM 2903 CB ARG B 40 12.707 -4.787 -11.332 1.00 0.31 C ATOM 2904 CG ARG B 40 13.876 -5.743 -11.508 1.00 0.34 C ATOM 2905 CD ARG B 40 14.547 -5.548 -12.853 1.00 0.44 C ATOM 2906 NE ARG B 40 13.614 -5.770 -13.959 1.00 0.64 N ATOM 2907 CZ ARG B 40 13.422 -4.909 -14.958 1.00 0.87 C ATOM 2908 NH1 ARG B 40 14.111 -3.777 -15.007 1.00 1.22 N ATOM 2909 NH2 ARG B 40 12.540 -5.185 -15.911 1.00 1.06 N ATOM 0 H ARG B 40 13.609 -3.552 -9.357 1.00 0.24 H new ATOM 0 HA ARG B 40 13.750 -3.125 -12.226 1.00 0.27 H new ATOM 0 HB2 ARG B 40 12.216 -4.999 -10.382 1.00 0.31 H new ATOM 0 HB3 ARG B 40 11.975 -4.975 -12.117 1.00 0.31 H new ATOM 0 HG2 ARG B 40 14.602 -5.585 -10.710 1.00 0.34 H new ATOM 0 HG3 ARG B 40 13.525 -6.771 -11.420 1.00 0.34 H new ATOM 0 HD2 ARG B 40 14.952 -4.538 -12.915 1.00 0.44 H new ATOM 0 HD3 ARG B 40 15.389 -6.235 -12.943 1.00 0.44 H new ATOM 0 HE ARG B 40 13.078 -6.638 -13.965 1.00 0.64 H new ATOM 0 HH11 ARG B 40 14.791 -3.562 -14.278 1.00 1.22 H new ATOM 0 HH12 ARG B 40 13.961 -3.121 -15.774 1.00 1.22 H new ATOM 0 HH21 ARG B 40 12.010 -6.056 -15.878 1.00 1.06 H new ATOM 0 HH22 ARG B 40 12.393 -4.526 -16.676 1.00 1.06 H new ATOM 2923 N GLU B 41 10.946 -2.570 -10.572 1.00 0.27 N ATOM 2924 CA GLU B 41 9.641 -1.943 -10.698 1.00 0.30 C ATOM 2925 C GLU B 41 9.483 -0.673 -9.866 1.00 0.34 C ATOM 2926 O GLU B 41 8.499 0.037 -10.021 1.00 0.46 O ATOM 2927 CB GLU B 41 8.553 -2.953 -10.367 1.00 0.36 C ATOM 2928 CG GLU B 41 8.238 -3.862 -11.540 1.00 0.45 C ATOM 2929 CD GLU B 41 7.507 -5.120 -11.136 1.00 0.83 C ATOM 2930 OE1 GLU B 41 6.365 -5.014 -10.645 1.00 1.54 O ATOM 2931 OE2 GLU B 41 8.066 -6.221 -11.334 1.00 1.59 O ATOM 0 H GLU B 41 11.079 -3.103 -9.712 1.00 0.27 H new ATOM 0 HA GLU B 41 9.544 -1.621 -11.735 1.00 0.30 H new ATOM 0 HB2 GLU B 41 8.867 -3.557 -9.516 1.00 0.36 H new ATOM 0 HB3 GLU B 41 7.648 -2.424 -10.066 1.00 0.36 H new ATOM 0 HG2 GLU B 41 7.634 -3.315 -12.264 1.00 0.45 H new ATOM 0 HG3 GLU B 41 9.167 -4.134 -12.041 1.00 0.45 H new ATOM 2938 N LEU B 42 10.429 -0.371 -8.987 1.00 0.27 N ATOM 2939 CA LEU B 42 10.340 0.865 -8.203 1.00 0.28 C ATOM 2940 C LEU B 42 11.589 1.745 -8.347 1.00 0.27 C ATOM 2941 O LEU B 42 12.031 2.332 -7.361 1.00 0.26 O ATOM 2942 CB LEU B 42 10.136 0.560 -6.713 1.00 0.27 C ATOM 2943 CG LEU B 42 8.910 -0.277 -6.350 1.00 0.27 C ATOM 2944 CD1 LEU B 42 9.168 -1.748 -6.603 1.00 0.26 C ATOM 2945 CD2 LEU B 42 8.526 -0.046 -4.898 1.00 0.32 C ATOM 0 H LEU B 42 11.250 -0.945 -8.797 1.00 0.27 H new ATOM 0 HA LEU B 42 9.481 1.407 -8.600 1.00 0.28 H new ATOM 0 HB2 LEU B 42 11.023 0.043 -6.346 1.00 0.27 H new ATOM 0 HB3 LEU B 42 10.074 1.507 -6.176 1.00 0.27 H new ATOM 0 HG LEU B 42 8.081 0.036 -6.985 1.00 0.27 H new ATOM 0 HD11 LEU B 42 8.281 -2.324 -6.337 1.00 0.26 H new ATOM 0 HD12 LEU B 42 9.398 -1.901 -7.658 1.00 0.26 H new ATOM 0 HD13 LEU B 42 10.011 -2.079 -5.996 1.00 0.26 H new ATOM 0 HD21 LEU B 42 7.651 -0.648 -4.653 1.00 0.32 H new ATOM 0 HD22 LEU B 42 9.356 -0.332 -4.252 1.00 0.32 H new ATOM 0 HD23 LEU B 42 8.295 1.008 -4.746 1.00 0.32 H new ATOM 2957 N PRO B 43 12.162 1.904 -9.557 1.00 0.31 N ATOM 2958 CA PRO B 43 13.424 2.619 -9.706 1.00 0.33 C ATOM 2959 C PRO B 43 13.234 4.126 -9.581 1.00 0.33 C ATOM 2960 O PRO B 43 14.183 4.871 -9.331 1.00 0.36 O ATOM 2961 CB PRO B 43 13.886 2.236 -11.105 1.00 0.41 C ATOM 2962 CG PRO B 43 12.628 1.981 -11.863 1.00 0.51 C ATOM 2963 CD PRO B 43 11.624 1.468 -10.862 1.00 0.35 C ATOM 0 HA PRO B 43 14.147 2.359 -8.933 1.00 0.33 H new ATOM 0 HB2 PRO B 43 14.469 3.036 -11.562 1.00 0.41 H new ATOM 0 HB3 PRO B 43 14.522 1.351 -11.084 1.00 0.41 H new ATOM 0 HG2 PRO B 43 12.270 2.894 -12.339 1.00 0.51 H new ATOM 0 HG3 PRO B 43 12.793 1.251 -12.656 1.00 0.51 H new ATOM 0 HD2 PRO B 43 10.633 1.883 -11.043 1.00 0.35 H new ATOM 0 HD3 PRO B 43 11.530 0.383 -10.912 1.00 0.35 H new ATOM 2971 N SER B 44 11.997 4.562 -9.763 1.00 0.36 N ATOM 2972 CA SER B 44 11.636 5.955 -9.585 1.00 0.39 C ATOM 2973 C SER B 44 11.570 6.294 -8.100 1.00 0.35 C ATOM 2974 O SER B 44 12.057 7.338 -7.664 1.00 0.40 O ATOM 2975 CB SER B 44 10.289 6.220 -10.251 1.00 0.46 C ATOM 2976 OG SER B 44 9.388 5.151 -10.002 1.00 1.09 O ATOM 0 H SER B 44 11.220 3.961 -10.037 1.00 0.36 H new ATOM 0 HA SER B 44 12.393 6.587 -10.049 1.00 0.39 H new ATOM 0 HB2 SER B 44 9.868 7.152 -9.874 1.00 0.46 H new ATOM 0 HB3 SER B 44 10.427 6.344 -11.325 1.00 0.46 H new ATOM 0 HG SER B 44 9.226 4.659 -10.834 1.00 1.09 H new ATOM 2982 N PHE B 45 10.973 5.387 -7.326 1.00 0.30 N ATOM 2983 CA PHE B 45 10.846 5.545 -5.881 1.00 0.28 C ATOM 2984 C PHE B 45 12.147 5.204 -5.180 1.00 0.28 C ATOM 2985 O PHE B 45 12.148 4.863 -4.007 1.00 0.27 O ATOM 2986 CB PHE B 45 9.741 4.640 -5.328 1.00 0.31 C ATOM 2987 CG PHE B 45 8.508 4.585 -6.171 1.00 0.28 C ATOM 2988 CD1 PHE B 45 7.683 5.689 -6.306 1.00 1.17 C ATOM 2989 CD2 PHE B 45 8.170 3.416 -6.825 1.00 1.28 C ATOM 2990 CE1 PHE B 45 6.545 5.622 -7.081 1.00 1.18 C ATOM 2991 CE2 PHE B 45 7.036 3.343 -7.599 1.00 1.34 C ATOM 2992 CZ PHE B 45 6.220 4.444 -7.727 1.00 0.47 C ATOM 0 H PHE B 45 10.565 4.524 -7.685 1.00 0.30 H new ATOM 0 HA PHE B 45 10.594 6.588 -5.692 1.00 0.28 H new ATOM 0 HB2 PHE B 45 10.136 3.630 -5.218 1.00 0.31 H new ATOM 0 HB3 PHE B 45 9.469 4.987 -4.331 1.00 0.31 H new ATOM 0 HD1 PHE B 45 7.933 6.610 -5.800 1.00 1.17 H new ATOM 0 HD2 PHE B 45 8.805 2.548 -6.727 1.00 1.28 H new ATOM 0 HE1 PHE B 45 5.908 6.488 -7.183 1.00 1.18 H new ATOM 0 HE2 PHE B 45 6.786 2.423 -8.106 1.00 1.34 H new ATOM 0 HZ PHE B 45 5.327 4.388 -8.331 1.00 0.47 H new ATOM 3002 N LEU B 46 13.254 5.288 -5.888 1.00 0.32 N ATOM 3003 CA LEU B 46 14.543 5.155 -5.246 1.00 0.33 C ATOM 3004 C LEU B 46 15.103 6.543 -4.960 1.00 0.39 C ATOM 3005 O LEU B 46 15.918 6.720 -4.058 1.00 0.47 O ATOM 3006 CB LEU B 46 15.510 4.329 -6.106 1.00 0.35 C ATOM 3007 CG LEU B 46 15.011 2.922 -6.462 1.00 0.32 C ATOM 3008 CD1 LEU B 46 16.099 2.127 -7.166 1.00 0.41 C ATOM 3009 CD2 LEU B 46 14.532 2.189 -5.215 1.00 0.30 C ATOM 0 H LEU B 46 13.287 5.446 -6.895 1.00 0.32 H new ATOM 0 HA LEU B 46 14.421 4.619 -4.305 1.00 0.33 H new ATOM 0 HB2 LEU B 46 15.709 4.873 -7.029 1.00 0.35 H new ATOM 0 HB3 LEU B 46 16.459 4.240 -5.577 1.00 0.35 H new ATOM 0 HG LEU B 46 14.167 3.023 -7.144 1.00 0.32 H new ATOM 0 HD11 LEU B 46 15.724 1.133 -7.409 1.00 0.41 H new ATOM 0 HD12 LEU B 46 16.389 2.640 -8.083 1.00 0.41 H new ATOM 0 HD13 LEU B 46 16.966 2.037 -6.511 1.00 0.41 H new ATOM 0 HD21 LEU B 46 14.182 1.194 -5.490 1.00 0.30 H new ATOM 0 HD22 LEU B 46 15.355 2.102 -4.506 1.00 0.30 H new ATOM 0 HD23 LEU B 46 13.715 2.747 -4.756 1.00 0.30 H new ATOM 3021 N GLY B 47 14.620 7.529 -5.723 1.00 0.41 N ATOM 3022 CA GLY B 47 15.053 8.920 -5.589 1.00 0.49 C ATOM 3023 C GLY B 47 16.514 9.153 -5.948 1.00 0.53 C ATOM 3024 O GLY B 47 16.875 10.208 -6.470 1.00 0.60 O ATOM 0 H GLY B 47 13.919 7.384 -6.449 1.00 0.41 H new ATOM 0 HA2 GLY B 47 14.429 9.547 -6.226 1.00 0.49 H new ATOM 0 HA3 GLY B 47 14.886 9.244 -4.562 1.00 0.49 H new ATOM 3028 N LYS B 48 17.341 8.167 -5.675 1.00 0.54 N ATOM 3029 CA LYS B 48 18.747 8.204 -6.006 1.00 0.67 C ATOM 3030 C LYS B 48 19.139 6.880 -6.648 1.00 0.70 C ATOM 3031 O LYS B 48 19.250 6.782 -7.872 1.00 1.18 O ATOM 3032 CB LYS B 48 19.563 8.448 -4.733 1.00 0.82 C ATOM 3033 CG LYS B 48 21.067 8.395 -4.928 1.00 1.41 C ATOM 3034 CD LYS B 48 21.769 8.143 -3.606 1.00 2.04 C ATOM 3035 CE LYS B 48 23.273 8.078 -3.773 1.00 2.61 C ATOM 3036 NZ LYS B 48 23.940 7.579 -2.544 1.00 3.21 N ATOM 0 H LYS B 48 17.051 7.306 -5.211 1.00 0.54 H new ATOM 0 HA LYS B 48 18.948 9.013 -6.708 1.00 0.67 H new ATOM 0 HB2 LYS B 48 19.296 9.424 -4.328 1.00 0.82 H new ATOM 0 HB3 LYS B 48 19.280 7.705 -3.987 1.00 0.82 H new ATOM 0 HG2 LYS B 48 21.320 7.606 -5.636 1.00 1.41 H new ATOM 0 HG3 LYS B 48 21.417 9.333 -5.358 1.00 1.41 H new ATOM 0 HD2 LYS B 48 21.515 8.936 -2.902 1.00 2.04 H new ATOM 0 HD3 LYS B 48 21.410 7.208 -3.176 1.00 2.04 H new ATOM 0 HE2 LYS B 48 23.518 7.426 -4.611 1.00 2.61 H new ATOM 0 HE3 LYS B 48 23.655 9.069 -4.018 1.00 2.61 H new ATOM 0 HZ1 LYS B 48 24.929 7.900 -2.531 1.00 3.21 H new ATOM 0 HZ2 LYS B 48 23.445 7.947 -1.707 1.00 3.21 H new ATOM 0 HZ3 LYS B 48 23.914 6.539 -2.532 1.00 3.21 H new ATOM 3050 N ARG B 49 19.292 5.865 -5.800 1.00 0.54 N ATOM 3051 CA ARG B 49 19.640 4.508 -6.206 1.00 0.54 C ATOM 3052 C ARG B 49 19.927 3.689 -4.956 1.00 0.51 C ATOM 3053 O ARG B 49 20.350 4.237 -3.939 1.00 0.55 O ATOM 3054 CB ARG B 49 20.859 4.491 -7.141 1.00 0.66 C ATOM 3055 CG ARG B 49 21.149 3.123 -7.747 1.00 0.74 C ATOM 3056 CD ARG B 49 19.938 2.564 -8.482 1.00 0.73 C ATOM 3057 NE ARG B 49 19.496 3.428 -9.576 1.00 1.28 N ATOM 3058 CZ ARG B 49 18.614 3.058 -10.507 1.00 1.46 C ATOM 3059 NH1 ARG B 49 18.157 1.812 -10.540 1.00 1.43 N ATOM 3060 NH2 ARG B 49 18.209 3.933 -11.416 1.00 2.26 N ATOM 0 H ARG B 49 19.175 5.966 -4.792 1.00 0.54 H new ATOM 0 HA ARG B 49 18.804 4.079 -6.758 1.00 0.54 H new ATOM 0 HB2 ARG B 49 20.698 5.208 -7.946 1.00 0.66 H new ATOM 0 HB3 ARG B 49 21.736 4.826 -6.586 1.00 0.66 H new ATOM 0 HG2 ARG B 49 21.989 3.201 -8.437 1.00 0.74 H new ATOM 0 HG3 ARG B 49 21.447 2.432 -6.959 1.00 0.74 H new ATOM 0 HD2 ARG B 49 20.181 1.578 -8.878 1.00 0.73 H new ATOM 0 HD3 ARG B 49 19.119 2.430 -7.776 1.00 0.73 H new ATOM 0 HE ARG B 49 19.885 4.369 -9.631 1.00 1.28 H new ATOM 0 HH11 ARG B 49 18.480 1.132 -9.852 1.00 1.43 H new ATOM 0 HH12 ARG B 49 17.483 1.535 -11.254 1.00 1.43 H new ATOM 0 HH21 ARG B 49 18.571 4.886 -11.403 1.00 2.26 H new ATOM 0 HH22 ARG B 49 17.535 3.653 -12.129 1.00 2.26 H new ATOM 3074 N THR B 50 19.685 2.392 -5.026 1.00 0.51 N ATOM 3075 CA THR B 50 19.876 1.514 -3.890 1.00 0.51 C ATOM 3076 C THR B 50 21.359 1.257 -3.609 1.00 0.61 C ATOM 3077 O THR B 50 22.008 0.477 -4.303 1.00 0.82 O ATOM 3078 CB THR B 50 19.145 0.184 -4.123 1.00 0.57 C ATOM 3079 OG1 THR B 50 19.349 -0.252 -5.475 1.00 0.69 O ATOM 3080 CG2 THR B 50 17.653 0.333 -3.855 1.00 0.57 C ATOM 0 H THR B 50 19.352 1.922 -5.868 1.00 0.51 H new ATOM 0 HA THR B 50 19.457 2.011 -3.015 1.00 0.51 H new ATOM 0 HB THR B 50 19.550 -0.557 -3.434 1.00 0.57 H new ATOM 0 HG1 THR B 50 20.305 -0.222 -5.688 1.00 0.69 H new ATOM 0 HG21 THR B 50 17.155 -0.622 -4.026 1.00 0.57 H new ATOM 0 HG22 THR B 50 17.498 0.643 -2.821 1.00 0.57 H new ATOM 0 HG23 THR B 50 17.236 1.085 -4.525 1.00 0.57 H new ATOM 3088 N ASP B 51 21.889 1.936 -2.600 1.00 0.58 N ATOM 3089 CA ASP B 51 23.265 1.715 -2.160 1.00 0.72 C ATOM 3090 C ASP B 51 23.337 0.489 -1.264 1.00 0.60 C ATOM 3091 O ASP B 51 22.390 0.194 -0.535 1.00 0.58 O ATOM 3092 CB ASP B 51 23.811 2.923 -1.386 1.00 0.91 C ATOM 3093 CG ASP B 51 24.129 4.117 -2.259 1.00 1.35 C ATOM 3094 OD1 ASP B 51 25.233 4.156 -2.846 1.00 1.98 O ATOM 3095 OD2 ASP B 51 23.296 5.041 -2.335 1.00 1.91 O ATOM 0 H ASP B 51 21.387 2.647 -2.068 1.00 0.58 H new ATOM 0 HA ASP B 51 23.872 1.567 -3.053 1.00 0.72 H new ATOM 0 HB2 ASP B 51 23.081 3.220 -0.633 1.00 0.91 H new ATOM 0 HB3 ASP B 51 24.714 2.623 -0.854 1.00 0.91 H new ATOM 3100 N GLU B 52 24.458 -0.214 -1.312 1.00 0.68 N ATOM 3101 CA GLU B 52 24.666 -1.387 -0.471 1.00 0.66 C ATOM 3102 C GLU B 52 24.693 -0.992 1.003 1.00 0.55 C ATOM 3103 O GLU B 52 24.010 -1.597 1.833 1.00 0.50 O ATOM 3104 CB GLU B 52 25.977 -2.082 -0.839 1.00 0.83 C ATOM 3105 CG GLU B 52 26.091 -2.430 -2.311 1.00 1.57 C ATOM 3106 CD GLU B 52 27.398 -3.109 -2.641 1.00 2.22 C ATOM 3107 OE1 GLU B 52 28.454 -2.448 -2.555 1.00 2.79 O ATOM 3108 OE2 GLU B 52 27.381 -4.310 -2.988 1.00 2.89 O ATOM 0 H GLU B 52 25.242 0.007 -1.926 1.00 0.68 H new ATOM 0 HA GLU B 52 23.838 -2.075 -0.639 1.00 0.66 H new ATOM 0 HB2 GLU B 52 26.810 -1.436 -0.562 1.00 0.83 H new ATOM 0 HB3 GLU B 52 26.072 -2.995 -0.251 1.00 0.83 H new ATOM 0 HG2 GLU B 52 25.264 -3.082 -2.593 1.00 1.57 H new ATOM 0 HG3 GLU B 52 25.997 -1.521 -2.905 1.00 1.57 H new ATOM 3115 N ALA B 53 25.463 0.046 1.313 1.00 0.58 N ATOM 3116 CA ALA B 53 25.611 0.519 2.685 1.00 0.58 C ATOM 3117 C ALA B 53 24.328 1.178 3.180 1.00 0.53 C ATOM 3118 O ALA B 53 24.122 1.345 4.378 1.00 0.58 O ATOM 3119 CB ALA B 53 26.778 1.489 2.788 1.00 0.70 C ATOM 0 H ALA B 53 25.998 0.579 0.627 1.00 0.58 H new ATOM 0 HA ALA B 53 25.814 -0.344 3.319 1.00 0.58 H new ATOM 0 HB1 ALA B 53 26.875 1.833 3.818 1.00 0.70 H new ATOM 0 HB2 ALA B 53 27.697 0.987 2.485 1.00 0.70 H new ATOM 0 HB3 ALA B 53 26.599 2.344 2.135 1.00 0.70 H new ATOM 3125 N ALA B 54 23.468 1.549 2.248 1.00 0.52 N ATOM 3126 CA ALA B 54 22.186 2.132 2.594 1.00 0.51 C ATOM 3127 C ALA B 54 21.149 1.046 2.797 1.00 0.39 C ATOM 3128 O ALA B 54 20.289 1.144 3.665 1.00 0.35 O ATOM 3129 CB ALA B 54 21.721 3.078 1.509 1.00 0.63 C ATOM 0 H ALA B 54 23.635 1.456 1.246 1.00 0.52 H new ATOM 0 HA ALA B 54 22.308 2.689 3.523 1.00 0.51 H new ATOM 0 HB1 ALA B 54 20.758 3.505 1.787 1.00 0.63 H new ATOM 0 HB2 ALA B 54 22.451 3.878 1.387 1.00 0.63 H new ATOM 0 HB3 ALA B 54 21.619 2.533 0.570 1.00 0.63 H new ATOM 3135 N PHE B 55 21.238 0.006 1.985 1.00 0.38 N ATOM 3136 CA PHE B 55 20.268 -1.077 2.019 1.00 0.32 C ATOM 3137 C PHE B 55 20.379 -1.891 3.300 1.00 0.31 C ATOM 3138 O PHE B 55 19.408 -2.516 3.736 1.00 0.31 O ATOM 3139 CB PHE B 55 20.432 -1.989 0.812 1.00 0.41 C ATOM 3140 CG PHE B 55 19.116 -2.429 0.261 1.00 0.36 C ATOM 3141 CD1 PHE B 55 18.352 -3.379 0.917 1.00 1.23 C ATOM 3142 CD2 PHE B 55 18.633 -1.869 -0.902 1.00 1.25 C ATOM 3143 CE1 PHE B 55 17.126 -3.762 0.418 1.00 1.30 C ATOM 3144 CE2 PHE B 55 17.413 -2.248 -1.411 1.00 1.22 C ATOM 3145 CZ PHE B 55 16.654 -3.196 -0.748 1.00 0.46 C ATOM 0 H PHE B 55 21.976 -0.112 1.291 1.00 0.38 H new ATOM 0 HA PHE B 55 19.278 -0.622 1.990 1.00 0.32 H new ATOM 0 HB2 PHE B 55 20.993 -1.467 0.037 1.00 0.41 H new ATOM 0 HB3 PHE B 55 21.017 -2.864 1.095 1.00 0.41 H new ATOM 0 HD1 PHE B 55 18.721 -3.824 1.829 1.00 1.23 H new ATOM 0 HD2 PHE B 55 19.219 -1.124 -1.419 1.00 1.25 H new ATOM 0 HE1 PHE B 55 16.537 -4.503 0.938 1.00 1.30 H new ATOM 0 HE2 PHE B 55 17.048 -1.806 -2.327 1.00 1.22 H new ATOM 0 HZ PHE B 55 15.693 -3.492 -1.143 1.00 0.46 H new ATOM 3155 N GLN B 56 21.556 -1.888 3.911 1.00 0.35 N ATOM 3156 CA GLN B 56 21.732 -2.564 5.185 1.00 0.41 C ATOM 3157 C GLN B 56 20.985 -1.805 6.274 1.00 0.42 C ATOM 3158 O GLN B 56 20.710 -2.341 7.344 1.00 0.52 O ATOM 3159 CB GLN B 56 23.215 -2.720 5.531 1.00 0.51 C ATOM 3160 CG GLN B 56 23.961 -1.408 5.680 1.00 0.53 C ATOM 3161 CD GLN B 56 25.455 -1.607 5.847 1.00 0.69 C ATOM 3162 OE1 GLN B 56 25.989 -2.648 5.229 1.00 1.15 O flip ATOM 3163 NE2 GLN B 56 26.127 -0.822 6.516 1.00 1.53 N flip ATOM 0 H GLN B 56 22.393 -1.430 3.549 1.00 0.35 H new ATOM 0 HA GLN B 56 21.316 -3.569 5.110 1.00 0.41 H new ATOM 0 HB2 GLN B 56 23.302 -3.282 6.461 1.00 0.51 H new ATOM 0 HB3 GLN B 56 23.697 -3.313 4.754 1.00 0.51 H new ATOM 0 HG2 GLN B 56 23.776 -0.787 4.804 1.00 0.53 H new ATOM 0 HG3 GLN B 56 23.571 -0.867 6.542 1.00 0.53 H new ATOM 0 HE21 GLN B 56 25.678 -0.031 6.977 1.00 1.53 H new ATOM 0 HE22 GLN B 56 27.133 -0.963 6.609 1.00 1.53 H new ATOM 3172 N LYS B 57 20.669 -0.549 5.993 1.00 0.36 N ATOM 3173 CA LYS B 57 19.791 0.231 6.848 1.00 0.39 C ATOM 3174 C LYS B 57 18.347 0.097 6.366 1.00 0.34 C ATOM 3175 O LYS B 57 17.422 0.037 7.169 1.00 0.41 O ATOM 3176 CB LYS B 57 20.213 1.702 6.859 1.00 0.44 C ATOM 3177 CG LYS B 57 21.660 1.913 7.270 1.00 0.54 C ATOM 3178 CD LYS B 57 21.994 3.388 7.415 1.00 0.61 C ATOM 3179 CE LYS B 57 23.469 3.591 7.710 1.00 0.79 C ATOM 3180 NZ LYS B 57 23.789 5.005 8.042 1.00 1.27 N ATOM 0 H LYS B 57 21.011 -0.047 5.174 1.00 0.36 H new ATOM 0 HA LYS B 57 19.865 -0.151 7.866 1.00 0.39 H new ATOM 0 HB2 LYS B 57 20.061 2.123 5.865 1.00 0.44 H new ATOM 0 HB3 LYS B 57 19.566 2.253 7.541 1.00 0.44 H new ATOM 0 HG2 LYS B 57 21.848 1.403 8.215 1.00 0.54 H new ATOM 0 HG3 LYS B 57 22.319 1.462 6.528 1.00 0.54 H new ATOM 0 HD2 LYS B 57 21.728 3.915 6.499 1.00 0.61 H new ATOM 0 HD3 LYS B 57 21.397 3.821 8.217 1.00 0.61 H new ATOM 0 HE2 LYS B 57 23.763 2.950 8.541 1.00 0.79 H new ATOM 0 HE3 LYS B 57 24.056 3.281 6.845 1.00 0.79 H new ATOM 0 HZ1 LYS B 57 24.665 5.286 7.557 1.00 1.27 H new ATOM 0 HZ2 LYS B 57 23.010 5.619 7.731 1.00 1.27 H new ATOM 0 HZ3 LYS B 57 23.916 5.100 9.070 1.00 1.27 H new ATOM 3194 N LEU B 58 18.178 0.032 5.045 1.00 0.27 N ATOM 3195 CA LEU B 58 16.855 -0.029 4.420 1.00 0.25 C ATOM 3196 C LEU B 58 16.056 -1.247 4.870 1.00 0.24 C ATOM 3197 O LEU B 58 14.907 -1.116 5.276 1.00 0.26 O ATOM 3198 CB LEU B 58 16.974 -0.040 2.894 1.00 0.22 C ATOM 3199 CG LEU B 58 15.641 -0.195 2.160 1.00 0.22 C ATOM 3200 CD1 LEU B 58 14.724 0.963 2.474 1.00 0.26 C ATOM 3201 CD2 LEU B 58 15.849 -0.285 0.664 1.00 0.23 C ATOM 0 H LEU B 58 18.951 0.020 4.380 1.00 0.27 H new ATOM 0 HA LEU B 58 16.321 0.865 4.742 1.00 0.25 H new ATOM 0 HB2 LEU B 58 17.447 0.887 2.571 1.00 0.22 H new ATOM 0 HB3 LEU B 58 17.635 -0.855 2.599 1.00 0.22 H new ATOM 0 HG LEU B 58 15.181 -1.121 2.505 1.00 0.22 H new ATOM 0 HD11 LEU B 58 13.781 0.835 1.943 1.00 0.26 H new ATOM 0 HD12 LEU B 58 14.534 0.996 3.547 1.00 0.26 H new ATOM 0 HD13 LEU B 58 15.194 1.895 2.159 1.00 0.26 H new ATOM 0 HD21 LEU B 58 14.884 -0.395 0.168 1.00 0.23 H new ATOM 0 HD22 LEU B 58 16.338 0.622 0.309 1.00 0.23 H new ATOM 0 HD23 LEU B 58 16.475 -1.148 0.435 1.00 0.23 H new ATOM 3213 N MET B 59 16.648 -2.428 4.760 1.00 0.24 N ATOM 3214 CA MET B 59 15.987 -3.656 5.204 1.00 0.27 C ATOM 3215 C MET B 59 15.450 -3.513 6.627 1.00 0.34 C ATOM 3216 O MET B 59 14.274 -3.760 6.881 1.00 0.41 O ATOM 3217 CB MET B 59 16.944 -4.849 5.116 1.00 0.28 C ATOM 3218 CG MET B 59 16.544 -6.027 6.000 1.00 0.30 C ATOM 3219 SD MET B 59 14.837 -6.553 5.755 1.00 0.31 S ATOM 3220 CE MET B 59 14.895 -7.085 4.057 1.00 0.25 C ATOM 0 H MET B 59 17.580 -2.566 4.370 1.00 0.24 H new ATOM 0 HA MET B 59 15.142 -3.835 4.539 1.00 0.27 H new ATOM 0 HB2 MET B 59 16.996 -5.185 4.080 1.00 0.28 H new ATOM 0 HB3 MET B 59 17.945 -4.521 5.395 1.00 0.28 H new ATOM 0 HG2 MET B 59 17.209 -6.867 5.797 1.00 0.30 H new ATOM 0 HG3 MET B 59 16.686 -5.753 7.045 1.00 0.30 H new ATOM 0 HE1 MET B 59 13.942 -7.539 3.785 1.00 0.25 H new ATOM 0 HE2 MET B 59 15.085 -6.226 3.413 1.00 0.25 H new ATOM 0 HE3 MET B 59 15.694 -7.816 3.932 1.00 0.25 H new ATOM 3230 N SER B 60 16.304 -3.084 7.539 1.00 0.39 N ATOM 3231 CA SER B 60 15.916 -2.925 8.930 1.00 0.51 C ATOM 3232 C SER B 60 15.050 -1.680 9.123 1.00 0.44 C ATOM 3233 O SER B 60 14.575 -1.399 10.225 1.00 0.51 O ATOM 3234 CB SER B 60 17.164 -2.885 9.806 1.00 0.70 C ATOM 3235 OG SER B 60 18.179 -2.084 9.217 1.00 1.36 O ATOM 0 H SER B 60 17.274 -2.839 7.341 1.00 0.39 H new ATOM 0 HA SER B 60 15.310 -3.780 9.230 1.00 0.51 H new ATOM 0 HB2 SER B 60 16.909 -2.489 10.789 1.00 0.70 H new ATOM 0 HB3 SER B 60 17.538 -3.898 9.957 1.00 0.70 H new ATOM 0 HG SER B 60 17.768 -1.414 8.631 1.00 1.36 H new ATOM 3241 N ASN B 61 14.848 -0.936 8.041 1.00 0.37 N ATOM 3242 CA ASN B 61 13.938 0.194 8.046 1.00 0.42 C ATOM 3243 C ASN B 61 12.555 -0.278 7.654 1.00 0.44 C ATOM 3244 O ASN B 61 11.578 0.447 7.805 1.00 0.64 O ATOM 3245 CB ASN B 61 14.418 1.306 7.114 1.00 0.46 C ATOM 3246 CG ASN B 61 15.283 2.323 7.833 1.00 0.47 C ATOM 3247 OD1 ASN B 61 15.255 3.558 7.366 1.00 0.96 O flip ATOM 3248 ND2 ASN B 61 15.964 2.006 8.809 1.00 0.92 N flip ATOM 0 H ASN B 61 15.308 -1.100 7.145 1.00 0.37 H new ATOM 0 HA ASN B 61 13.907 0.613 9.052 1.00 0.42 H new ATOM 0 HB2 ASN B 61 14.983 0.869 6.290 1.00 0.46 H new ATOM 0 HB3 ASN B 61 13.555 1.809 6.677 1.00 0.46 H new ATOM 0 HD21 ASN B 61 15.961 1.042 9.142 1.00 0.92 H new ATOM 0 HD22 ASN B 61 16.531 2.708 9.285 1.00 0.92 H new ATOM 3255 N LEU B 62 12.481 -1.503 7.147 1.00 0.33 N ATOM 3256 CA LEU B 62 11.208 -2.153 6.916 1.00 0.39 C ATOM 3257 C LEU B 62 10.963 -3.193 7.991 1.00 0.54 C ATOM 3258 O LEU B 62 10.099 -3.022 8.848 1.00 1.18 O ATOM 3259 CB LEU B 62 11.162 -2.822 5.540 1.00 0.35 C ATOM 3260 CG LEU B 62 10.772 -1.918 4.374 1.00 0.25 C ATOM 3261 CD1 LEU B 62 9.461 -1.200 4.674 1.00 0.24 C ATOM 3262 CD2 LEU B 62 11.878 -0.928 4.050 1.00 0.22 C ATOM 0 H LEU B 62 13.294 -2.063 6.889 1.00 0.33 H new ATOM 0 HA LEU B 62 10.430 -1.390 6.950 1.00 0.39 H new ATOM 0 HB2 LEU B 62 12.143 -3.249 5.332 1.00 0.35 H new ATOM 0 HB3 LEU B 62 10.456 -3.651 5.584 1.00 0.35 H new ATOM 0 HG LEU B 62 10.626 -2.543 3.493 1.00 0.25 H new ATOM 0 HD11 LEU B 62 9.196 -0.559 3.833 1.00 0.24 H new ATOM 0 HD12 LEU B 62 8.672 -1.935 4.833 1.00 0.24 H new ATOM 0 HD13 LEU B 62 9.576 -0.592 5.571 1.00 0.24 H new ATOM 0 HD21 LEU B 62 11.570 -0.298 3.215 1.00 0.22 H new ATOM 0 HD22 LEU B 62 12.075 -0.304 4.922 1.00 0.22 H new ATOM 0 HD23 LEU B 62 12.784 -1.470 3.780 1.00 0.22 H new ATOM 3274 N ASP B 63 11.764 -4.250 7.958 1.00 0.31 N ATOM 3275 CA ASP B 63 11.606 -5.375 8.867 1.00 0.33 C ATOM 3276 C ASP B 63 11.874 -4.962 10.305 1.00 0.37 C ATOM 3277 O ASP B 63 13.018 -4.719 10.695 1.00 0.43 O ATOM 3278 CB ASP B 63 12.542 -6.515 8.464 1.00 0.40 C ATOM 3279 CG ASP B 63 12.470 -7.692 9.415 1.00 0.38 C ATOM 3280 OD1 ASP B 63 11.361 -8.025 9.885 1.00 1.15 O ATOM 3281 OD2 ASP B 63 13.524 -8.295 9.691 1.00 1.08 O ATOM 0 H ASP B 63 12.539 -4.351 7.302 1.00 0.31 H new ATOM 0 HA ASP B 63 10.574 -5.719 8.801 1.00 0.33 H new ATOM 0 HB2 ASP B 63 12.289 -6.850 7.458 1.00 0.40 H new ATOM 0 HB3 ASP B 63 13.566 -6.144 8.428 1.00 0.40 H new ATOM 3286 N SER B 64 10.814 -4.894 11.092 1.00 0.43 N ATOM 3287 CA SER B 64 10.919 -4.481 12.480 1.00 0.52 C ATOM 3288 C SER B 64 11.451 -5.622 13.341 1.00 0.58 C ATOM 3289 O SER B 64 11.873 -5.413 14.484 1.00 0.71 O ATOM 3290 CB SER B 64 9.558 -4.007 12.986 1.00 0.67 C ATOM 3291 OG SER B 64 9.066 -2.944 12.185 1.00 1.14 O ATOM 0 H SER B 64 9.866 -5.121 10.791 1.00 0.43 H new ATOM 0 HA SER B 64 11.624 -3.653 12.549 1.00 0.52 H new ATOM 0 HB2 SER B 64 8.851 -4.836 12.972 1.00 0.67 H new ATOM 0 HB3 SER B 64 9.644 -3.678 14.022 1.00 0.67 H new ATOM 0 HG SER B 64 8.193 -2.656 12.524 1.00 1.14 H new ATOM 3297 N ASN B 65 11.444 -6.827 12.784 1.00 0.60 N ATOM 3298 CA ASN B 65 11.998 -7.982 13.473 1.00 0.75 C ATOM 3299 C ASN B 65 13.514 -7.920 13.409 1.00 0.76 C ATOM 3300 O ASN B 65 14.209 -8.509 14.239 1.00 0.91 O ATOM 3301 CB ASN B 65 11.511 -9.291 12.839 1.00 0.89 C ATOM 3302 CG ASN B 65 9.999 -9.397 12.775 1.00 1.52 C ATOM 3303 OD1 ASN B 65 9.356 -9.857 13.719 1.00 1.87 O ATOM 3304 ND2 ASN B 65 9.426 -8.995 11.651 1.00 2.34 N ATOM 0 H ASN B 65 11.062 -7.028 11.860 1.00 0.60 H new ATOM 0 HA ASN B 65 11.663 -7.961 14.510 1.00 0.75 H new ATOM 0 HB2 ASN B 65 11.918 -9.372 11.831 1.00 0.89 H new ATOM 0 HB3 ASN B 65 11.904 -10.132 13.410 1.00 0.89 H new ATOM 0 HD21 ASN B 65 8.414 -9.060 11.543 1.00 2.34 H new ATOM 0 HD22 ASN B 65 9.997 -8.620 10.893 1.00 2.34 H new ATOM 3311 N ARG B 66 14.008 -7.162 12.428 1.00 0.68 N ATOM 3312 CA ARG B 66 15.437 -6.984 12.204 1.00 0.81 C ATOM 3313 C ARG B 66 16.113 -8.327 11.976 1.00 0.88 C ATOM 3314 O ARG B 66 17.220 -8.580 12.447 1.00 1.11 O ATOM 3315 CB ARG B 66 16.070 -6.229 13.371 1.00 1.04 C ATOM 3316 CG ARG B 66 15.497 -4.832 13.541 1.00 1.10 C ATOM 3317 CD ARG B 66 16.191 -4.065 14.650 1.00 1.39 C ATOM 3318 NE ARG B 66 17.622 -3.917 14.399 1.00 2.08 N ATOM 3319 CZ ARG B 66 18.195 -2.787 13.987 1.00 2.77 C ATOM 3320 NH1 ARG B 66 17.455 -1.731 13.671 1.00 2.86 N ATOM 3321 NH2 ARG B 66 19.513 -2.721 13.860 1.00 3.79 N ATOM 0 H ARG B 66 13.422 -6.654 11.766 1.00 0.68 H new ATOM 0 HA ARG B 66 15.579 -6.385 11.304 1.00 0.81 H new ATOM 0 HB2 ARG B 66 15.918 -6.795 14.290 1.00 1.04 H new ATOM 0 HB3 ARG B 66 17.146 -6.160 13.213 1.00 1.04 H new ATOM 0 HG2 ARG B 66 15.595 -4.283 12.604 1.00 1.10 H new ATOM 0 HG3 ARG B 66 14.431 -4.901 13.760 1.00 1.10 H new ATOM 0 HD2 ARG B 66 15.736 -3.079 14.749 1.00 1.39 H new ATOM 0 HD3 ARG B 66 16.041 -4.582 15.598 1.00 1.39 H new ATOM 0 HE ARG B 66 18.220 -4.730 14.548 1.00 2.08 H new ATOM 0 HH11 ARG B 66 16.439 -1.781 13.743 1.00 2.86 H new ATOM 0 HH12 ARG B 66 17.903 -0.870 13.357 1.00 2.86 H new ATOM 0 HH21 ARG B 66 20.088 -3.535 14.078 1.00 3.79 H new ATOM 0 HH22 ARG B 66 19.952 -1.856 13.545 1.00 3.79 H new ATOM 3335 N ASP B 67 15.436 -9.171 11.214 1.00 0.75 N ATOM 3336 CA ASP B 67 15.935 -10.493 10.882 1.00 0.88 C ATOM 3337 C ASP B 67 16.417 -10.477 9.440 1.00 0.77 C ATOM 3338 O ASP B 67 17.001 -11.443 8.943 1.00 0.96 O ATOM 3339 CB ASP B 67 14.832 -11.533 11.078 1.00 1.00 C ATOM 3340 CG ASP B 67 15.352 -12.955 11.041 1.00 1.39 C ATOM 3341 OD1 ASP B 67 16.156 -13.321 11.928 1.00 1.93 O ATOM 3342 OD2 ASP B 67 14.953 -13.718 10.142 1.00 1.95 O ATOM 0 H ASP B 67 14.525 -8.957 10.809 1.00 0.75 H new ATOM 0 HA ASP B 67 16.764 -10.760 11.537 1.00 0.88 H new ATOM 0 HB2 ASP B 67 14.338 -11.356 12.034 1.00 1.00 H new ATOM 0 HB3 ASP B 67 14.078 -11.407 10.301 1.00 1.00 H new ATOM 3347 N ASN B 68 16.150 -9.342 8.788 1.00 0.62 N ATOM 3348 CA ASN B 68 16.603 -9.058 7.425 1.00 0.55 C ATOM 3349 C ASN B 68 15.784 -9.811 6.397 1.00 0.43 C ATOM 3350 O ASN B 68 16.258 -10.095 5.301 1.00 0.57 O ATOM 3351 CB ASN B 68 18.095 -9.349 7.240 1.00 0.77 C ATOM 3352 CG ASN B 68 18.963 -8.373 8.003 1.00 1.30 C ATOM 3353 OD1 ASN B 68 19.297 -7.299 7.507 1.00 1.41 O ATOM 3354 ND2 ASN B 68 19.324 -8.739 9.215 1.00 2.22 N ATOM 0 H ASN B 68 15.605 -8.584 9.199 1.00 0.62 H new ATOM 0 HA ASN B 68 16.452 -7.990 7.266 1.00 0.55 H new ATOM 0 HB2 ASN B 68 18.310 -10.364 7.575 1.00 0.77 H new ATOM 0 HB3 ASN B 68 18.344 -9.303 6.180 1.00 0.77 H new ATOM 0 HD21 ASN B 68 19.904 -8.121 9.783 1.00 2.22 H new ATOM 0 HD22 ASN B 68 19.023 -9.640 9.586 1.00 2.22 H new ATOM 3361 N GLU B 69 14.540 -10.085 6.742 1.00 0.42 N ATOM 3362 CA GLU B 69 13.606 -10.681 5.812 1.00 0.42 C ATOM 3363 C GLU B 69 12.200 -10.169 6.095 1.00 0.39 C ATOM 3364 O GLU B 69 11.619 -10.435 7.149 1.00 0.54 O ATOM 3365 CB GLU B 69 13.664 -12.211 5.854 1.00 0.60 C ATOM 3366 CG GLU B 69 13.498 -12.819 7.237 1.00 1.04 C ATOM 3367 CD GLU B 69 13.448 -14.331 7.186 1.00 1.44 C ATOM 3368 OE1 GLU B 69 14.469 -14.951 6.813 1.00 1.84 O ATOM 3369 OE2 GLU B 69 12.389 -14.909 7.505 1.00 2.09 O ATOM 0 H GLU B 69 14.153 -9.902 7.668 1.00 0.42 H new ATOM 0 HA GLU B 69 13.889 -10.385 4.802 1.00 0.42 H new ATOM 0 HB2 GLU B 69 12.885 -12.608 5.203 1.00 0.60 H new ATOM 0 HB3 GLU B 69 14.620 -12.535 5.443 1.00 0.60 H new ATOM 0 HG2 GLU B 69 14.325 -12.504 7.874 1.00 1.04 H new ATOM 0 HG3 GLU B 69 12.583 -12.441 7.693 1.00 1.04 H new ATOM 3376 N VAL B 70 11.677 -9.409 5.153 1.00 0.28 N ATOM 3377 CA VAL B 70 10.395 -8.746 5.308 1.00 0.25 C ATOM 3378 C VAL B 70 9.230 -9.710 5.098 1.00 0.25 C ATOM 3379 O VAL B 70 9.170 -10.426 4.093 1.00 0.33 O ATOM 3380 CB VAL B 70 10.298 -7.545 4.337 1.00 0.26 C ATOM 3381 CG1 VAL B 70 8.861 -7.148 4.073 1.00 0.29 C ATOM 3382 CG2 VAL B 70 11.068 -6.363 4.896 1.00 0.30 C ATOM 0 H VAL B 70 12.129 -9.233 4.256 1.00 0.28 H new ATOM 0 HA VAL B 70 10.328 -8.379 6.332 1.00 0.25 H new ATOM 0 HB VAL B 70 10.736 -7.851 3.387 1.00 0.26 H new ATOM 0 HG11 VAL B 70 8.838 -6.301 3.387 1.00 0.29 H new ATOM 0 HG12 VAL B 70 8.327 -7.989 3.630 1.00 0.29 H new ATOM 0 HG13 VAL B 70 8.383 -6.868 5.011 1.00 0.29 H new ATOM 0 HG21 VAL B 70 10.995 -5.522 4.206 1.00 0.30 H new ATOM 0 HG22 VAL B 70 10.648 -6.079 5.861 1.00 0.30 H new ATOM 0 HG23 VAL B 70 12.115 -6.638 5.023 1.00 0.30 H new ATOM 3392 N ASP B 71 8.326 -9.729 6.074 1.00 0.25 N ATOM 3393 CA ASP B 71 7.125 -10.558 6.013 1.00 0.29 C ATOM 3394 C ASP B 71 5.986 -9.769 5.351 1.00 0.22 C ATOM 3395 O ASP B 71 6.193 -8.643 4.906 1.00 0.21 O ATOM 3396 CB ASP B 71 6.739 -11.027 7.422 1.00 0.42 C ATOM 3397 CG ASP B 71 5.757 -12.187 7.420 1.00 1.18 C ATOM 3398 OD1 ASP B 71 6.192 -13.352 7.294 1.00 2.06 O ATOM 3399 OD2 ASP B 71 4.542 -11.940 7.573 1.00 1.72 O ATOM 0 H ASP B 71 8.404 -9.173 6.926 1.00 0.25 H new ATOM 0 HA ASP B 71 7.320 -11.444 5.409 1.00 0.29 H new ATOM 0 HB2 ASP B 71 7.640 -11.324 7.959 1.00 0.42 H new ATOM 0 HB3 ASP B 71 6.303 -10.191 7.969 1.00 0.42 H new ATOM 3404 N PHE B 72 4.787 -10.339 5.308 1.00 0.21 N ATOM 3405 CA PHE B 72 3.731 -9.835 4.433 1.00 0.19 C ATOM 3406 C PHE B 72 3.278 -8.409 4.781 1.00 0.15 C ATOM 3407 O PHE B 72 3.285 -7.540 3.908 1.00 0.14 O ATOM 3408 CB PHE B 72 2.530 -10.778 4.428 1.00 0.21 C ATOM 3409 CG PHE B 72 1.782 -10.787 3.119 1.00 0.20 C ATOM 3410 CD1 PHE B 72 2.084 -9.874 2.112 1.00 1.18 C ATOM 3411 CD2 PHE B 72 0.786 -11.718 2.888 1.00 1.19 C ATOM 3412 CE1 PHE B 72 1.406 -9.895 0.908 1.00 1.20 C ATOM 3413 CE2 PHE B 72 0.103 -11.741 1.688 1.00 1.20 C ATOM 3414 CZ PHE B 72 0.415 -10.829 0.698 1.00 0.32 C ATOM 0 H PHE B 72 4.521 -11.149 5.867 1.00 0.21 H new ATOM 0 HA PHE B 72 4.167 -9.793 3.435 1.00 0.19 H new ATOM 0 HB2 PHE B 72 2.870 -11.789 4.651 1.00 0.21 H new ATOM 0 HB3 PHE B 72 1.847 -10.489 5.227 1.00 0.21 H new ATOM 0 HD1 PHE B 72 2.859 -9.139 2.274 1.00 1.18 H new ATOM 0 HD2 PHE B 72 0.539 -12.436 3.656 1.00 1.19 H new ATOM 0 HE1 PHE B 72 1.652 -9.182 0.135 1.00 1.20 H new ATOM 0 HE2 PHE B 72 -0.675 -12.472 1.523 1.00 1.20 H new ATOM 0 HZ PHE B 72 -0.118 -10.848 -0.241 1.00 0.32 H new ATOM 3424 N GLN B 73 2.874 -8.151 6.028 1.00 0.15 N ATOM 3425 CA GLN B 73 2.386 -6.812 6.369 1.00 0.14 C ATOM 3426 C GLN B 73 3.525 -5.809 6.263 1.00 0.12 C ATOM 3427 O GLN B 73 3.313 -4.669 5.865 1.00 0.13 O ATOM 3428 CB GLN B 73 1.753 -6.741 7.769 1.00 0.16 C ATOM 3429 CG GLN B 73 0.716 -5.639 7.892 1.00 0.26 C ATOM 3430 CD GLN B 73 0.254 -5.426 9.317 1.00 0.22 C ATOM 3431 OE1 GLN B 73 -0.691 -6.059 9.776 1.00 0.68 O ATOM 3432 NE2 GLN B 73 0.915 -4.527 10.023 1.00 0.60 N ATOM 0 H GLN B 73 2.874 -8.825 6.794 1.00 0.15 H new ATOM 0 HA GLN B 73 1.599 -6.567 5.655 1.00 0.14 H new ATOM 0 HB2 GLN B 73 1.287 -7.699 8.001 1.00 0.16 H new ATOM 0 HB3 GLN B 73 2.537 -6.580 8.509 1.00 0.16 H new ATOM 0 HG2 GLN B 73 1.134 -4.709 7.507 1.00 0.26 H new ATOM 0 HG3 GLN B 73 -0.144 -5.884 7.269 1.00 0.26 H new ATOM 0 HE21 GLN B 73 1.696 -4.022 9.603 1.00 0.60 H new ATOM 0 HE22 GLN B 73 0.645 -4.337 10.988 1.00 0.60 H new ATOM 3441 N GLU B 74 4.735 -6.266 6.579 1.00 0.14 N ATOM 3442 CA GLU B 74 5.928 -5.436 6.486 1.00 0.17 C ATOM 3443 C GLU B 74 6.171 -5.049 5.033 1.00 0.14 C ATOM 3444 O GLU B 74 6.626 -3.949 4.725 1.00 0.16 O ATOM 3445 CB GLU B 74 7.140 -6.199 7.020 1.00 0.27 C ATOM 3446 CG GLU B 74 8.167 -5.322 7.710 1.00 0.38 C ATOM 3447 CD GLU B 74 7.829 -5.088 9.167 1.00 0.43 C ATOM 3448 OE1 GLU B 74 6.991 -4.216 9.459 1.00 1.21 O ATOM 3449 OE2 GLU B 74 8.390 -5.796 10.032 1.00 1.10 O ATOM 0 H GLU B 74 4.913 -7.216 6.904 1.00 0.14 H new ATOM 0 HA GLU B 74 5.781 -4.536 7.083 1.00 0.17 H new ATOM 0 HB2 GLU B 74 6.797 -6.960 7.721 1.00 0.27 H new ATOM 0 HB3 GLU B 74 7.621 -6.721 6.193 1.00 0.27 H new ATOM 0 HG2 GLU B 74 9.149 -5.788 7.637 1.00 0.38 H new ATOM 0 HG3 GLU B 74 8.230 -4.364 7.194 1.00 0.38 H new ATOM 3456 N TYR B 75 5.857 -5.977 4.145 1.00 0.14 N ATOM 3457 CA TYR B 75 5.986 -5.757 2.718 1.00 0.14 C ATOM 3458 C TYR B 75 4.988 -4.704 2.255 1.00 0.11 C ATOM 3459 O TYR B 75 5.291 -3.881 1.396 1.00 0.13 O ATOM 3460 CB TYR B 75 5.752 -7.074 1.965 1.00 0.16 C ATOM 3461 CG TYR B 75 5.911 -6.958 0.468 1.00 0.17 C ATOM 3462 CD1 TYR B 75 4.863 -6.505 -0.325 1.00 1.19 C ATOM 3463 CD2 TYR B 75 7.110 -7.280 -0.148 1.00 1.21 C ATOM 3464 CE1 TYR B 75 5.005 -6.377 -1.691 1.00 1.20 C ATOM 3465 CE2 TYR B 75 7.261 -7.151 -1.518 1.00 1.22 C ATOM 3466 CZ TYR B 75 6.203 -6.699 -2.284 1.00 0.22 C ATOM 3467 OH TYR B 75 6.346 -6.569 -3.645 1.00 0.26 O ATOM 0 H TYR B 75 5.506 -6.902 4.394 1.00 0.14 H new ATOM 0 HA TYR B 75 6.993 -5.399 2.505 1.00 0.14 H new ATOM 0 HB2 TYR B 75 6.450 -7.824 2.338 1.00 0.16 H new ATOM 0 HB3 TYR B 75 4.748 -7.435 2.187 1.00 0.16 H new ATOM 0 HD1 TYR B 75 3.921 -6.249 0.137 1.00 1.19 H new ATOM 0 HD2 TYR B 75 7.937 -7.636 0.448 1.00 1.21 H new ATOM 0 HE1 TYR B 75 4.179 -6.026 -2.292 1.00 1.20 H new ATOM 0 HE2 TYR B 75 8.201 -7.402 -1.986 1.00 1.22 H new ATOM 0 HH TYR B 75 5.509 -6.238 -4.032 1.00 0.26 H new ATOM 3477 N CYS B 76 3.805 -4.727 2.837 1.00 0.11 N ATOM 3478 CA CYS B 76 2.731 -3.872 2.385 1.00 0.12 C ATOM 3479 C CYS B 76 2.764 -2.502 3.061 1.00 0.12 C ATOM 3480 O CYS B 76 2.399 -1.503 2.449 1.00 0.13 O ATOM 3481 CB CYS B 76 1.394 -4.565 2.624 1.00 0.14 C ATOM 3482 SG CYS B 76 1.319 -6.249 1.971 1.00 0.22 S ATOM 0 H CYS B 76 3.566 -5.330 3.624 1.00 0.11 H new ATOM 0 HA CYS B 76 2.862 -3.697 1.317 1.00 0.12 H new ATOM 0 HB2 CYS B 76 1.195 -4.591 3.695 1.00 0.14 H new ATOM 0 HB3 CYS B 76 0.601 -3.972 2.167 1.00 0.14 H new ATOM 0 HG CYS B 76 2.170 -6.999 2.606 1.00 0.22 H new ATOM 3488 N VAL B 77 3.200 -2.446 4.317 1.00 0.13 N ATOM 3489 CA VAL B 77 3.397 -1.162 4.988 1.00 0.14 C ATOM 3490 C VAL B 77 4.499 -0.398 4.269 1.00 0.14 C ATOM 3491 O VAL B 77 4.487 0.826 4.194 1.00 0.19 O ATOM 3492 CB VAL B 77 3.761 -1.339 6.479 1.00 0.16 C ATOM 3493 CG1 VAL B 77 4.969 -2.224 6.602 1.00 0.14 C ATOM 3494 CG2 VAL B 77 4.020 -0.006 7.167 1.00 0.20 C ATOM 0 H VAL B 77 3.422 -3.263 4.886 1.00 0.13 H new ATOM 0 HA VAL B 77 2.461 -0.605 4.950 1.00 0.14 H new ATOM 0 HB VAL B 77 2.909 -1.802 6.977 1.00 0.16 H new ATOM 0 HG11 VAL B 77 5.224 -2.347 7.655 1.00 0.14 H new ATOM 0 HG12 VAL B 77 4.752 -3.198 6.164 1.00 0.14 H new ATOM 0 HG13 VAL B 77 5.808 -1.769 6.076 1.00 0.14 H new ATOM 0 HG21 VAL B 77 4.272 -0.179 8.213 1.00 0.20 H new ATOM 0 HG22 VAL B 77 4.848 0.503 6.674 1.00 0.20 H new ATOM 0 HG23 VAL B 77 3.126 0.614 7.107 1.00 0.20 H new ATOM 3504 N PHE B 78 5.441 -1.161 3.726 1.00 0.11 N ATOM 3505 CA PHE B 78 6.456 -0.643 2.827 1.00 0.11 C ATOM 3506 C PHE B 78 5.793 0.141 1.694 1.00 0.11 C ATOM 3507 O PHE B 78 6.249 1.217 1.305 1.00 0.11 O ATOM 3508 CB PHE B 78 7.254 -1.829 2.269 1.00 0.12 C ATOM 3509 CG PHE B 78 8.056 -1.546 1.034 1.00 0.12 C ATOM 3510 CD1 PHE B 78 7.494 -1.701 -0.225 1.00 1.18 C ATOM 3511 CD2 PHE B 78 9.377 -1.151 1.130 1.00 1.17 C ATOM 3512 CE1 PHE B 78 8.234 -1.460 -1.363 1.00 1.18 C ATOM 3513 CE2 PHE B 78 10.126 -0.913 -0.002 1.00 1.18 C ATOM 3514 CZ PHE B 78 9.554 -1.067 -1.250 1.00 0.15 C ATOM 0 H PHE B 78 5.519 -2.163 3.901 1.00 0.11 H new ATOM 0 HA PHE B 78 7.127 0.032 3.358 1.00 0.11 H new ATOM 0 HB2 PHE B 78 7.930 -2.187 3.046 1.00 0.12 H new ATOM 0 HB3 PHE B 78 6.560 -2.641 2.052 1.00 0.12 H new ATOM 0 HD1 PHE B 78 6.464 -2.014 -0.315 1.00 1.18 H new ATOM 0 HD2 PHE B 78 9.828 -1.027 2.104 1.00 1.17 H new ATOM 0 HE1 PHE B 78 7.784 -1.578 -2.338 1.00 1.18 H new ATOM 0 HE2 PHE B 78 11.158 -0.607 0.086 1.00 1.18 H new ATOM 0 HZ PHE B 78 10.139 -0.880 -2.138 1.00 0.15 H new ATOM 3524 N LEU B 79 4.695 -0.412 1.188 1.00 0.14 N ATOM 3525 CA LEU B 79 3.976 0.183 0.077 1.00 0.16 C ATOM 3526 C LEU B 79 3.165 1.390 0.512 1.00 0.17 C ATOM 3527 O LEU B 79 3.257 2.458 -0.095 1.00 0.20 O ATOM 3528 CB LEU B 79 3.065 -0.844 -0.588 1.00 0.15 C ATOM 3529 CG LEU B 79 3.761 -1.790 -1.559 1.00 0.15 C ATOM 3530 CD1 LEU B 79 3.614 -3.227 -1.107 1.00 0.19 C ATOM 3531 CD2 LEU B 79 3.181 -1.613 -2.943 1.00 0.14 C ATOM 0 H LEU B 79 4.285 -1.278 1.536 1.00 0.14 H new ATOM 0 HA LEU B 79 4.720 0.520 -0.644 1.00 0.16 H new ATOM 0 HB2 LEU B 79 2.582 -1.436 0.189 1.00 0.15 H new ATOM 0 HB3 LEU B 79 2.276 -0.315 -1.122 1.00 0.15 H new ATOM 0 HG LEU B 79 4.824 -1.550 -1.582 1.00 0.15 H new ATOM 0 HD11 LEU B 79 4.118 -3.885 -1.815 1.00 0.19 H new ATOM 0 HD12 LEU B 79 4.061 -3.345 -0.120 1.00 0.19 H new ATOM 0 HD13 LEU B 79 2.557 -3.487 -1.060 1.00 0.19 H new ATOM 0 HD21 LEU B 79 3.680 -2.290 -3.636 1.00 0.14 H new ATOM 0 HD22 LEU B 79 2.114 -1.837 -2.922 1.00 0.14 H new ATOM 0 HD23 LEU B 79 3.330 -0.584 -3.271 1.00 0.14 H new ATOM 3543 N SER B 80 2.368 1.216 1.554 1.00 0.19 N ATOM 3544 CA SER B 80 1.588 2.314 2.106 1.00 0.21 C ATOM 3545 C SER B 80 2.500 3.453 2.504 1.00 0.20 C ATOM 3546 O SER B 80 2.119 4.623 2.446 1.00 0.24 O ATOM 3547 CB SER B 80 0.777 1.841 3.303 1.00 0.22 C ATOM 3548 OG SER B 80 1.357 0.697 3.895 1.00 0.18 O ATOM 0 H SER B 80 2.244 0.325 2.035 1.00 0.19 H new ATOM 0 HA SER B 80 0.897 2.670 1.341 1.00 0.21 H new ATOM 0 HB2 SER B 80 0.712 2.641 4.040 1.00 0.22 H new ATOM 0 HB3 SER B 80 -0.242 1.614 2.988 1.00 0.22 H new ATOM 0 HG SER B 80 0.653 0.137 4.283 1.00 0.18 H new ATOM 3554 N CYS B 81 3.710 3.100 2.899 1.00 0.17 N ATOM 3555 CA CYS B 81 4.727 4.078 3.160 1.00 0.18 C ATOM 3556 C CYS B 81 4.994 4.891 1.925 1.00 0.33 C ATOM 3557 O CYS B 81 4.858 6.094 1.961 1.00 0.72 O ATOM 3558 CB CYS B 81 6.018 3.432 3.612 1.00 0.30 C ATOM 3559 SG CYS B 81 7.479 4.406 3.197 1.00 1.83 S ATOM 0 H CYS B 81 4.004 2.134 3.044 1.00 0.17 H new ATOM 0 HA CYS B 81 4.361 4.722 3.960 1.00 0.18 H new ATOM 0 HB2 CYS B 81 5.984 3.281 4.691 1.00 0.30 H new ATOM 0 HB3 CYS B 81 6.104 2.446 3.155 1.00 0.30 H new ATOM 0 HG CYS B 81 8.109 3.844 2.209 1.00 1.83 H new ATOM 3565 N ILE B 82 5.357 4.230 0.831 1.00 0.17 N ATOM 3566 CA ILE B 82 5.724 4.945 -0.377 1.00 0.19 C ATOM 3567 C ILE B 82 4.592 5.865 -0.819 1.00 0.21 C ATOM 3568 O ILE B 82 4.830 7.016 -1.149 1.00 0.28 O ATOM 3569 CB ILE B 82 6.123 4.009 -1.539 1.00 0.19 C ATOM 3570 CG1 ILE B 82 7.249 3.067 -1.114 1.00 0.24 C ATOM 3571 CG2 ILE B 82 6.576 4.839 -2.729 1.00 0.24 C ATOM 3572 CD1 ILE B 82 7.997 2.465 -2.285 1.00 0.41 C ATOM 0 H ILE B 82 5.404 3.214 0.759 1.00 0.17 H new ATOM 0 HA ILE B 82 6.605 5.536 -0.126 1.00 0.19 H new ATOM 0 HB ILE B 82 5.255 3.410 -1.816 1.00 0.19 H new ATOM 0 HG12 ILE B 82 7.952 3.612 -0.484 1.00 0.24 H new ATOM 0 HG13 ILE B 82 6.832 2.264 -0.506 1.00 0.24 H new ATOM 0 HG21 ILE B 82 6.857 4.177 -3.548 1.00 0.24 H new ATOM 0 HG22 ILE B 82 5.762 5.489 -3.050 1.00 0.24 H new ATOM 0 HG23 ILE B 82 7.434 5.447 -2.443 1.00 0.24 H new ATOM 0 HD11 ILE B 82 8.783 1.806 -1.915 1.00 0.41 H new ATOM 0 HD12 ILE B 82 7.305 1.893 -2.903 1.00 0.41 H new ATOM 0 HD13 ILE B 82 8.442 3.262 -2.881 1.00 0.41 H new ATOM 3584 N ALA B 83 3.361 5.373 -0.774 1.00 0.26 N ATOM 3585 CA ALA B 83 2.203 6.177 -1.159 1.00 0.32 C ATOM 3586 C ALA B 83 2.036 7.395 -0.255 1.00 0.32 C ATOM 3587 O ALA B 83 1.818 8.508 -0.721 1.00 0.35 O ATOM 3588 CB ALA B 83 0.946 5.337 -1.119 1.00 0.42 C ATOM 0 H ALA B 83 3.136 4.424 -0.476 1.00 0.26 H new ATOM 0 HA ALA B 83 2.374 6.531 -2.176 1.00 0.32 H new ATOM 0 HB1 ALA B 83 0.091 5.948 -1.408 1.00 0.42 H new ATOM 0 HB2 ALA B 83 1.045 4.501 -1.811 1.00 0.42 H new ATOM 0 HB3 ALA B 83 0.795 4.956 -0.109 1.00 0.42 H new ATOM 3594 N MET B 84 2.135 7.170 1.043 1.00 0.33 N ATOM 3595 CA MET B 84 1.992 8.234 2.035 1.00 0.36 C ATOM 3596 C MET B 84 3.232 9.101 2.070 1.00 0.36 C ATOM 3597 O MET B 84 3.189 10.267 2.451 1.00 0.48 O ATOM 3598 CB MET B 84 1.726 7.598 3.383 1.00 0.38 C ATOM 3599 CG MET B 84 1.768 8.536 4.569 1.00 0.44 C ATOM 3600 SD MET B 84 1.562 7.612 6.097 1.00 0.38 S ATOM 3601 CE MET B 84 2.478 6.140 5.647 1.00 0.22 C ATOM 0 H MET B 84 2.316 6.250 1.444 1.00 0.33 H new ATOM 0 HA MET B 84 1.156 8.882 1.770 1.00 0.36 H new ATOM 0 HB2 MET B 84 0.745 7.123 3.353 1.00 0.38 H new ATOM 0 HB3 MET B 84 2.459 6.807 3.542 1.00 0.38 H new ATOM 0 HG2 MET B 84 2.717 9.072 4.585 1.00 0.44 H new ATOM 0 HG3 MET B 84 0.980 9.284 4.479 1.00 0.44 H new ATOM 0 HE1 MET B 84 2.907 5.691 6.543 1.00 0.22 H new ATOM 0 HE2 MET B 84 1.807 5.426 5.168 1.00 0.22 H new ATOM 0 HE3 MET B 84 3.278 6.406 4.956 1.00 0.22 H new ATOM 3611 N MET B 85 4.329 8.522 1.660 1.00 0.28 N ATOM 3612 CA MET B 85 5.542 9.257 1.467 1.00 0.29 C ATOM 3613 C MET B 85 5.382 10.128 0.217 1.00 0.34 C ATOM 3614 O MET B 85 5.961 11.206 0.109 1.00 0.48 O ATOM 3615 CB MET B 85 6.700 8.286 1.350 1.00 0.28 C ATOM 3616 CG MET B 85 7.994 8.874 1.861 1.00 0.32 C ATOM 3617 SD MET B 85 9.437 8.319 0.929 1.00 0.29 S ATOM 3618 CE MET B 85 9.372 6.583 1.335 1.00 0.25 C ATOM 0 H MET B 85 4.403 7.526 1.451 1.00 0.28 H new ATOM 0 HA MET B 85 5.752 9.911 2.314 1.00 0.29 H new ATOM 0 HB2 MET B 85 6.469 7.380 1.910 1.00 0.28 H new ATOM 0 HB3 MET B 85 6.823 7.994 0.307 1.00 0.28 H new ATOM 0 HG2 MET B 85 7.935 9.961 1.816 1.00 0.32 H new ATOM 0 HG3 MET B 85 8.120 8.605 2.910 1.00 0.32 H new ATOM 0 HE1 MET B 85 10.235 6.076 0.904 1.00 0.25 H new ATOM 0 HE2 MET B 85 9.384 6.462 2.418 1.00 0.25 H new ATOM 0 HE3 MET B 85 8.457 6.149 0.932 1.00 0.25 H new ATOM 3628 N CYS B 86 4.543 9.655 -0.713 1.00 0.31 N ATOM 3629 CA CYS B 86 4.126 10.447 -1.869 1.00 0.34 C ATOM 3630 C CYS B 86 3.158 11.538 -1.431 1.00 0.39 C ATOM 3631 O CYS B 86 2.953 12.514 -2.141 1.00 0.46 O ATOM 3632 CB CYS B 86 3.434 9.588 -2.939 1.00 0.39 C ATOM 3633 SG CYS B 86 4.440 8.266 -3.642 1.00 0.94 S ATOM 0 H CYS B 86 4.139 8.719 -0.683 1.00 0.31 H new ATOM 0 HA CYS B 86 5.029 10.880 -2.300 1.00 0.34 H new ATOM 0 HB2 CYS B 86 2.538 9.146 -2.502 1.00 0.39 H new ATOM 0 HB3 CYS B 86 3.106 10.241 -3.748 1.00 0.39 H new ATOM 0 HG CYS B 86 4.762 7.422 -2.707 1.00 0.94 H new ATOM 3639 N ASN B 87 2.543 11.361 -0.272 1.00 0.45 N ATOM 3640 CA ASN B 87 1.666 12.388 0.270 1.00 0.58 C ATOM 3641 C ASN B 87 2.499 13.613 0.632 1.00 0.68 C ATOM 3642 O ASN B 87 2.067 14.756 0.483 1.00 0.89 O ATOM 3643 CB ASN B 87 0.898 11.875 1.494 1.00 0.72 C ATOM 3644 CG ASN B 87 0.012 12.936 2.123 1.00 1.10 C ATOM 3645 OD1 ASN B 87 -1.232 13.011 1.677 1.00 1.72 O flip ATOM 3646 ND2 ASN B 87 0.439 13.677 3.003 1.00 1.77 N flip ATOM 0 H ASN B 87 2.633 10.526 0.306 1.00 0.45 H new ATOM 0 HA ASN B 87 0.928 12.658 -0.485 1.00 0.58 H new ATOM 0 HB2 ASN B 87 0.284 11.023 1.201 1.00 0.72 H new ATOM 0 HB3 ASN B 87 1.609 11.515 2.238 1.00 0.72 H new ATOM 0 HD21 ASN B 87 1.404 13.588 3.320 1.00 1.77 H new ATOM 0 HD22 ASN B 87 -0.171 14.381 3.417 1.00 1.77 H new ATOM 3653 N GLU B 88 3.719 13.354 1.080 1.00 0.70 N ATOM 3654 CA GLU B 88 4.662 14.415 1.380 1.00 0.89 C ATOM 3655 C GLU B 88 5.157 15.069 0.087 1.00 0.86 C ATOM 3656 O GLU B 88 5.237 16.295 -0.010 1.00 1.06 O ATOM 3657 CB GLU B 88 5.842 13.850 2.183 1.00 1.03 C ATOM 3658 CG GLU B 88 5.420 13.214 3.504 1.00 1.51 C ATOM 3659 CD GLU B 88 6.560 12.518 4.230 1.00 1.72 C ATOM 3660 OE1 GLU B 88 7.456 13.214 4.759 1.00 1.98 O ATOM 3661 OE2 GLU B 88 6.550 11.269 4.305 1.00 2.33 O ATOM 0 H GLU B 88 4.078 12.413 1.243 1.00 0.70 H new ATOM 0 HA GLU B 88 4.161 15.176 1.978 1.00 0.89 H new ATOM 0 HB2 GLU B 88 6.362 13.106 1.579 1.00 1.03 H new ATOM 0 HB3 GLU B 88 6.553 14.651 2.384 1.00 1.03 H new ATOM 0 HG2 GLU B 88 5.002 13.984 4.153 1.00 1.51 H new ATOM 0 HG3 GLU B 88 4.626 12.492 3.314 1.00 1.51 H new ATOM 3668 N PHE B 89 5.465 14.247 -0.916 1.00 0.69 N ATOM 3669 CA PHE B 89 6.028 14.739 -2.175 1.00 0.71 C ATOM 3670 C PHE B 89 4.960 15.076 -3.224 1.00 0.73 C ATOM 3671 O PHE B 89 4.713 16.246 -3.503 1.00 0.88 O ATOM 3672 CB PHE B 89 6.998 13.709 -2.746 1.00 0.69 C ATOM 3673 CG PHE B 89 8.268 13.582 -1.953 1.00 0.91 C ATOM 3674 CD1 PHE B 89 8.344 12.725 -0.869 1.00 1.53 C ATOM 3675 CD2 PHE B 89 9.388 14.324 -2.293 1.00 1.65 C ATOM 3676 CE1 PHE B 89 9.509 12.609 -0.138 1.00 1.89 C ATOM 3677 CE2 PHE B 89 10.556 14.214 -1.566 1.00 1.99 C ATOM 3678 CZ PHE B 89 10.617 13.355 -0.488 1.00 1.81 C ATOM 0 H PHE B 89 5.334 13.236 -0.882 1.00 0.69 H new ATOM 0 HA PHE B 89 6.550 15.667 -1.943 1.00 0.71 H new ATOM 0 HB2 PHE B 89 6.504 12.738 -2.785 1.00 0.69 H new ATOM 0 HB3 PHE B 89 7.245 13.983 -3.772 1.00 0.69 H new ATOM 0 HD1 PHE B 89 7.480 12.139 -0.591 1.00 1.53 H new ATOM 0 HD2 PHE B 89 9.346 14.996 -3.137 1.00 1.65 H new ATOM 0 HE1 PHE B 89 9.554 11.936 0.706 1.00 1.89 H new ATOM 0 HE2 PHE B 89 11.421 14.799 -1.841 1.00 1.99 H new ATOM 0 HZ PHE B 89 11.530 13.266 0.081 1.00 1.81 H new ATOM 3688 N PHE B 90 4.328 14.047 -3.785 1.00 0.63 N ATOM 3689 CA PHE B 90 3.371 14.213 -4.886 1.00 0.66 C ATOM 3690 C PHE B 90 2.161 15.031 -4.449 1.00 0.69 C ATOM 3691 O PHE B 90 1.815 16.033 -5.077 1.00 0.83 O ATOM 3692 CB PHE B 90 2.914 12.843 -5.398 1.00 0.69 C ATOM 3693 CG PHE B 90 1.986 12.918 -6.581 1.00 0.95 C ATOM 3694 CD1 PHE B 90 2.490 12.969 -7.870 1.00 1.44 C ATOM 3695 CD2 PHE B 90 0.610 12.938 -6.402 1.00 1.79 C ATOM 3696 CE1 PHE B 90 1.641 13.039 -8.960 1.00 1.68 C ATOM 3697 CE2 PHE B 90 -0.243 13.006 -7.488 1.00 2.09 C ATOM 3698 CZ PHE B 90 0.274 13.057 -8.767 1.00 1.67 C ATOM 0 H PHE B 90 4.461 13.079 -3.494 1.00 0.63 H new ATOM 0 HA PHE B 90 3.874 14.751 -5.689 1.00 0.66 H new ATOM 0 HB2 PHE B 90 3.791 12.256 -5.672 1.00 0.69 H new ATOM 0 HB3 PHE B 90 2.414 12.311 -4.589 1.00 0.69 H new ATOM 0 HD1 PHE B 90 3.559 12.954 -8.026 1.00 1.44 H new ATOM 0 HD2 PHE B 90 0.201 12.900 -5.403 1.00 1.79 H new ATOM 0 HE1 PHE B 90 2.047 13.079 -9.960 1.00 1.68 H new ATOM 0 HE2 PHE B 90 -1.312 13.019 -7.336 1.00 2.09 H new ATOM 0 HZ PHE B 90 -0.391 13.111 -9.616 1.00 1.67 H new ATOM 3708 N GLU B 91 1.509 14.579 -3.383 1.00 0.70 N ATOM 3709 CA GLU B 91 0.406 15.317 -2.781 1.00 0.83 C ATOM 3710 C GLU B 91 0.898 16.701 -2.372 1.00 1.01 C ATOM 3711 O GLU B 91 0.179 17.690 -2.490 1.00 1.21 O ATOM 3712 CB GLU B 91 -0.142 14.529 -1.588 1.00 0.95 C ATOM 3713 CG GLU B 91 -1.064 15.322 -0.675 1.00 1.64 C ATOM 3714 CD GLU B 91 -2.321 15.778 -1.375 1.00 2.04 C ATOM 3715 OE1 GLU B 91 -3.031 14.917 -1.933 1.00 2.45 O ATOM 3716 OE2 GLU B 91 -2.591 16.998 -1.382 1.00 2.62 O ATOM 0 H GLU B 91 1.728 13.699 -2.916 1.00 0.70 H new ATOM 0 HA GLU B 91 -0.407 15.445 -3.496 1.00 0.83 H new ATOM 0 HB2 GLU B 91 -0.682 13.659 -1.961 1.00 0.95 H new ATOM 0 HB3 GLU B 91 0.696 14.155 -1.000 1.00 0.95 H new ATOM 0 HG2 GLU B 91 -1.333 14.709 0.185 1.00 1.64 H new ATOM 0 HG3 GLU B 91 -0.530 16.191 -0.292 1.00 1.64 H new ATOM 3723 N GLY B 92 2.151 16.763 -1.938 1.00 1.09 N ATOM 3724 CA GLY B 92 2.772 18.036 -1.646 1.00 1.36 C ATOM 3725 C GLY B 92 2.089 18.768 -0.515 1.00 1.53 C ATOM 3726 O GLY B 92 1.864 19.977 -0.594 1.00 1.90 O ATOM 0 H GLY B 92 2.748 15.950 -1.783 1.00 1.09 H new ATOM 0 HA2 GLY B 92 3.819 17.875 -1.390 1.00 1.36 H new ATOM 0 HA3 GLY B 92 2.754 18.659 -2.540 1.00 1.36 H new ATOM 3730 N PHE B 93 1.739 18.029 0.522 1.00 1.50 N ATOM 3731 CA PHE B 93 1.088 18.605 1.683 1.00 1.82 C ATOM 3732 C PHE B 93 2.092 18.709 2.825 1.00 1.98 C ATOM 3733 O PHE B 93 2.363 17.732 3.517 1.00 2.12 O ATOM 3734 CB PHE B 93 -0.118 17.744 2.080 1.00 2.19 C ATOM 3735 CG PHE B 93 -1.008 18.363 3.119 1.00 2.75 C ATOM 3736 CD1 PHE B 93 -1.525 19.634 2.939 1.00 3.37 C ATOM 3737 CD2 PHE B 93 -1.332 17.669 4.271 1.00 3.14 C ATOM 3738 CE1 PHE B 93 -2.348 20.201 3.891 1.00 3.97 C ATOM 3739 CE2 PHE B 93 -2.154 18.230 5.226 1.00 3.73 C ATOM 3740 CZ PHE B 93 -2.663 19.499 5.036 1.00 4.00 C ATOM 0 H PHE B 93 1.896 17.023 0.583 1.00 1.50 H new ATOM 0 HA PHE B 93 0.726 19.606 1.449 1.00 1.82 H new ATOM 0 HB2 PHE B 93 -0.710 17.537 1.189 1.00 2.19 H new ATOM 0 HB3 PHE B 93 0.243 16.785 2.453 1.00 2.19 H new ATOM 0 HD1 PHE B 93 -1.282 20.188 2.044 1.00 3.37 H new ATOM 0 HD2 PHE B 93 -0.936 16.676 4.424 1.00 3.14 H new ATOM 0 HE1 PHE B 93 -2.745 21.194 3.740 1.00 3.97 H new ATOM 0 HE2 PHE B 93 -2.399 17.677 6.121 1.00 3.73 H new ATOM 0 HZ PHE B 93 -3.306 19.941 5.782 1.00 4.00 H new ATOM 3750 N PRO B 94 2.708 19.886 2.989 1.00 2.52 N ATOM 3751 CA PRO B 94 3.711 20.136 4.007 1.00 3.07 C ATOM 3752 C PRO B 94 3.151 20.898 5.203 1.00 3.02 C ATOM 3753 O PRO B 94 3.647 21.970 5.567 1.00 3.41 O ATOM 3754 CB PRO B 94 4.696 21.000 3.227 1.00 3.84 C ATOM 3755 CG PRO B 94 3.842 21.803 2.289 1.00 3.90 C ATOM 3756 CD PRO B 94 2.519 21.077 2.158 1.00 3.08 C ATOM 0 HA PRO B 94 4.130 19.229 4.442 1.00 3.07 H new ATOM 0 HB2 PRO B 94 5.268 21.646 3.892 1.00 3.84 H new ATOM 0 HB3 PRO B 94 5.414 20.387 2.682 1.00 3.84 H new ATOM 0 HG2 PRO B 94 3.691 22.812 2.674 1.00 3.90 H new ATOM 0 HG3 PRO B 94 4.325 21.901 1.317 1.00 3.90 H new ATOM 0 HD2 PRO B 94 1.688 21.687 2.512 1.00 3.08 H new ATOM 0 HD3 PRO B 94 2.304 20.815 1.122 1.00 3.08 H new ATOM 3764 N ASP B 95 2.132 20.333 5.819 1.00 2.85 N ATOM 3765 CA ASP B 95 1.435 21.005 6.912 1.00 3.20 C ATOM 3766 C ASP B 95 1.323 20.099 8.130 1.00 3.38 C ATOM 3767 O ASP B 95 1.466 20.544 9.268 1.00 3.79 O ATOM 3768 CB ASP B 95 0.043 21.445 6.455 1.00 3.91 C ATOM 3769 CG ASP B 95 -0.710 22.220 7.519 1.00 4.67 C ATOM 3770 OD1 ASP B 95 -0.437 23.426 7.685 1.00 5.10 O ATOM 3771 OD2 ASP B 95 -1.590 21.633 8.181 1.00 5.19 O ATOM 0 H ASP B 95 1.764 19.411 5.586 1.00 2.85 H new ATOM 0 HA ASP B 95 2.014 21.884 7.195 1.00 3.20 H new ATOM 0 HB2 ASP B 95 0.138 22.062 5.562 1.00 3.91 H new ATOM 0 HB3 ASP B 95 -0.537 20.566 6.175 1.00 3.91 H new ATOM 3776 N LYS B 96 1.078 18.824 7.882 1.00 3.54 N ATOM 3777 CA LYS B 96 0.942 17.843 8.948 1.00 4.45 C ATOM 3778 C LYS B 96 2.237 17.059 9.101 1.00 4.54 C ATOM 3779 O LYS B 96 2.475 16.384 10.102 1.00 4.98 O ATOM 3780 CB LYS B 96 -0.223 16.905 8.619 1.00 5.36 C ATOM 3781 CG LYS B 96 -0.512 15.860 9.679 1.00 6.28 C ATOM 3782 CD LYS B 96 -1.143 16.467 10.917 1.00 7.13 C ATOM 3783 CE LYS B 96 -1.556 15.387 11.900 1.00 7.93 C ATOM 3784 NZ LYS B 96 -2.481 14.402 11.276 1.00 8.39 N ATOM 0 H LYS B 96 0.968 18.440 6.943 1.00 3.54 H new ATOM 0 HA LYS B 96 0.737 18.348 9.892 1.00 4.45 H new ATOM 0 HB2 LYS B 96 -1.121 17.503 8.463 1.00 5.36 H new ATOM 0 HB3 LYS B 96 -0.010 16.399 7.677 1.00 5.36 H new ATOM 0 HG2 LYS B 96 -1.177 15.101 9.268 1.00 6.28 H new ATOM 0 HG3 LYS B 96 0.415 15.356 9.954 1.00 6.28 H new ATOM 0 HD2 LYS B 96 -0.437 17.147 11.393 1.00 7.13 H new ATOM 0 HD3 LYS B 96 -2.014 17.058 10.633 1.00 7.13 H new ATOM 0 HE2 LYS B 96 -0.669 14.871 12.268 1.00 7.93 H new ATOM 0 HE3 LYS B 96 -2.040 15.845 12.763 1.00 7.93 H new ATOM 0 HZ1 LYS B 96 -3.215 14.132 11.962 1.00 8.39 H new ATOM 0 HZ2 LYS B 96 -2.929 14.828 10.440 1.00 8.39 H new ATOM 0 HZ3 LYS B 96 -1.947 13.557 10.990 1.00 8.39 H new ATOM 3798 N GLN B 97 3.073 17.187 8.095 1.00 4.59 N ATOM 3799 CA GLN B 97 4.334 16.465 8.017 1.00 5.12 C ATOM 3800 C GLN B 97 5.445 17.428 7.576 1.00 5.38 C ATOM 3801 O GLN B 97 5.159 18.601 7.319 1.00 5.51 O ATOM 3802 CB GLN B 97 4.190 15.292 7.036 1.00 5.83 C ATOM 3803 CG GLN B 97 3.184 14.244 7.491 1.00 6.21 C ATOM 3804 CD GLN B 97 3.089 13.064 6.545 1.00 6.95 C ATOM 3805 OE1 GLN B 97 3.815 12.082 6.689 1.00 7.21 O ATOM 3806 NE2 GLN B 97 2.187 13.141 5.583 1.00 7.59 N ATOM 0 H GLN B 97 2.900 17.800 7.298 1.00 4.59 H new ATOM 0 HA GLN B 97 4.599 16.062 8.994 1.00 5.12 H new ATOM 0 HB2 GLN B 97 3.887 15.677 6.062 1.00 5.83 H new ATOM 0 HB3 GLN B 97 5.162 14.818 6.903 1.00 5.83 H new ATOM 0 HG2 GLN B 97 3.463 13.886 8.482 1.00 6.21 H new ATOM 0 HG3 GLN B 97 2.202 14.708 7.585 1.00 6.21 H new ATOM 0 HE21 GLN B 97 1.603 13.973 5.497 1.00 7.59 H new ATOM 0 HE22 GLN B 97 2.074 12.368 4.927 1.00 7.59 H new ATOM 3815 N PRO B 98 6.719 16.966 7.522 1.00 5.81 N ATOM 3816 CA PRO B 98 7.855 17.787 7.069 1.00 6.41 C ATOM 3817 C PRO B 98 7.542 18.637 5.834 1.00 6.44 C ATOM 3818 O PRO B 98 6.880 18.185 4.897 1.00 6.84 O ATOM 3819 CB PRO B 98 8.917 16.743 6.742 1.00 7.08 C ATOM 3820 CG PRO B 98 8.658 15.641 7.708 1.00 6.87 C ATOM 3821 CD PRO B 98 7.167 15.615 7.928 1.00 6.10 C ATOM 0 HA PRO B 98 8.151 18.515 7.825 1.00 6.41 H new ATOM 0 HB2 PRO B 98 8.831 16.397 5.712 1.00 7.08 H new ATOM 0 HB3 PRO B 98 9.922 17.148 6.860 1.00 7.08 H new ATOM 0 HG2 PRO B 98 9.010 14.688 7.314 1.00 6.87 H new ATOM 0 HG3 PRO B 98 9.187 15.813 8.646 1.00 6.87 H new ATOM 0 HD2 PRO B 98 6.689 14.840 7.329 1.00 6.10 H new ATOM 0 HD3 PRO B 98 6.921 15.410 8.970 1.00 6.10 H new ATOM 3829 N ARG B 99 8.038 19.866 5.839 1.00 6.34 N ATOM 3830 CA ARG B 99 7.731 20.821 4.784 1.00 6.64 C ATOM 3831 C ARG B 99 8.851 20.876 3.750 1.00 6.40 C ATOM 3832 O ARG B 99 8.638 21.288 2.610 1.00 6.77 O ATOM 3833 CB ARG B 99 7.483 22.205 5.391 1.00 6.94 C ATOM 3834 CG ARG B 99 7.100 23.269 4.376 1.00 7.54 C ATOM 3835 CD ARG B 99 6.608 24.534 5.059 1.00 7.94 C ATOM 3836 NE ARG B 99 5.368 24.303 5.801 1.00 8.46 N ATOM 3837 CZ ARG B 99 4.757 25.225 6.543 1.00 8.94 C ATOM 3838 NH1 ARG B 99 5.285 26.438 6.676 1.00 8.99 N ATOM 3839 NH2 ARG B 99 3.623 24.923 7.161 1.00 9.56 N ATOM 0 H ARG B 99 8.657 20.226 6.565 1.00 6.34 H new ATOM 0 HA ARG B 99 6.826 20.493 4.272 1.00 6.64 H new ATOM 0 HB2 ARG B 99 6.691 22.127 6.135 1.00 6.94 H new ATOM 0 HB3 ARG B 99 8.383 22.526 5.916 1.00 6.94 H new ATOM 0 HG2 ARG B 99 7.961 23.503 3.749 1.00 7.54 H new ATOM 0 HG3 ARG B 99 6.322 22.883 3.718 1.00 7.54 H new ATOM 0 HD2 ARG B 99 7.376 24.902 5.740 1.00 7.94 H new ATOM 0 HD3 ARG B 99 6.445 25.311 4.312 1.00 7.94 H new ATOM 0 HE ARG B 99 4.945 23.377 5.746 1.00 8.46 H new ATOM 0 HH11 ARG B 99 6.162 26.666 6.209 1.00 8.99 H new ATOM 0 HH12 ARG B 99 4.813 27.140 7.245 1.00 8.99 H new ATOM 0 HH21 ARG B 99 3.224 23.989 7.067 1.00 9.56 H new ATOM 0 HH22 ARG B 99 3.150 25.625 7.731 1.00 9.56 H new ATOM 3853 N LYS B 100 10.040 20.458 4.148 1.00 6.04 N ATOM 3854 CA LYS B 100 11.171 20.422 3.234 1.00 5.97 C ATOM 3855 C LYS B 100 11.292 19.060 2.563 1.00 5.32 C ATOM 3856 O LYS B 100 11.780 18.102 3.160 1.00 5.54 O ATOM 3857 CB LYS B 100 12.472 20.768 3.964 1.00 6.71 C ATOM 3858 CG LYS B 100 12.599 22.240 4.320 1.00 7.02 C ATOM 3859 CD LYS B 100 12.629 23.110 3.072 1.00 7.50 C ATOM 3860 CE LYS B 100 12.810 24.580 3.414 1.00 8.06 C ATOM 3861 NZ LYS B 100 14.130 24.853 4.043 1.00 8.50 N ATOM 0 H LYS B 100 10.248 20.140 5.094 1.00 6.04 H new ATOM 0 HA LYS B 100 10.995 21.170 2.461 1.00 5.97 H new ATOM 0 HB2 LYS B 100 12.535 20.176 4.877 1.00 6.71 H new ATOM 0 HB3 LYS B 100 13.317 20.480 3.339 1.00 6.71 H new ATOM 0 HG2 LYS B 100 11.763 22.537 4.953 1.00 7.02 H new ATOM 0 HG3 LYS B 100 13.509 22.399 4.899 1.00 7.02 H new ATOM 0 HD2 LYS B 100 13.441 22.785 2.422 1.00 7.50 H new ATOM 0 HD3 LYS B 100 11.702 22.978 2.514 1.00 7.50 H new ATOM 0 HE2 LYS B 100 12.711 25.177 2.507 1.00 8.06 H new ATOM 0 HE3 LYS B 100 12.015 24.894 4.091 1.00 8.06 H new ATOM 0 HZ1 LYS B 100 14.287 25.880 4.088 1.00 8.50 H new ATOM 0 HZ2 LYS B 100 14.145 24.458 5.005 1.00 8.50 H new ATOM 0 HZ3 LYS B 100 14.882 24.412 3.476 1.00 8.50 H new ATOM 3875 N LYS B 101 10.824 18.977 1.328 1.00 4.83 N ATOM 3876 CA LYS B 101 10.956 17.760 0.543 1.00 4.42 C ATOM 3877 C LYS B 101 12.034 17.955 -0.511 1.00 4.87 C ATOM 3878 O LYS B 101 13.212 17.674 -0.214 1.00 5.44 O ATOM 3879 CB LYS B 101 9.639 17.369 -0.138 1.00 3.91 C ATOM 3880 CG LYS B 101 8.567 16.814 0.794 1.00 3.27 C ATOM 3881 CD LYS B 101 7.923 17.891 1.660 1.00 3.64 C ATOM 3882 CE LYS B 101 7.386 19.052 0.830 1.00 4.21 C ATOM 3883 NZ LYS B 101 6.558 18.596 -0.316 1.00 4.79 N ATOM 3884 OXT LYS B 101 11.701 18.413 -1.625 1.00 5.06 O ATOM 0 H LYS B 101 10.348 19.740 0.846 1.00 4.83 H new ATOM 0 HA LYS B 101 11.229 16.953 1.222 1.00 4.42 H new ATOM 0 HB2 LYS B 101 9.237 18.245 -0.647 1.00 3.91 H new ATOM 0 HB3 LYS B 101 9.852 16.625 -0.905 1.00 3.91 H new ATOM 0 HG2 LYS B 101 7.796 16.321 0.201 1.00 3.27 H new ATOM 0 HG3 LYS B 101 9.009 16.053 1.437 1.00 3.27 H new ATOM 0 HD2 LYS B 101 7.109 17.452 2.237 1.00 3.64 H new ATOM 0 HD3 LYS B 101 8.655 18.266 2.375 1.00 3.64 H new ATOM 0 HE2 LYS B 101 6.790 19.705 1.467 1.00 4.21 H new ATOM 0 HE3 LYS B 101 8.221 19.645 0.458 1.00 4.21 H new ATOM 0 HZ1 LYS B 101 5.775 19.264 -0.466 1.00 4.79 H new ATOM 0 HZ2 LYS B 101 7.145 18.553 -1.173 1.00 4.79 H new ATOM 0 HZ3 LYS B 101 6.174 17.651 -0.112 1.00 4.79 H new TER 3898 LYS B 101