USER MOD reduce.3.24.130724 H: found=0, std=0, add=1556, rem=0, adj=62 USER MOD reduce.3.24.130724 removed 1562 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 61 ASN : amide:sc= -3.59! C(o=-7!,f=-15!) USER MOD Set 1.2: C1920 LYS NZ :NH3+ 159:sc= -3.43! (180deg=-4.34!) USER MOD Set 2.1: A 12 MET CE :methyl 166:sc= -0.199 (180deg=-0.288) USER MOD Set 2.2: A 80 SER OG : rot -123:sc= -0.0056 USER MOD Set 2.3: B 12 MET CE :methyl 176:sc= -2.39 (180deg=-2.27) USER MOD Set 2.4: B 80 SER OG : rot -152:sc= -0.282 USER MOD Set 3.1: A 81 CYS SG : rot 36:sc= -5.19! USER MOD Set 3.2: A 84 MET CE :methyl -167:sc= -4.62! (180deg=-5.2!) USER MOD Set 3.3: C1910 MET CE :methyl -167:sc= -4.98! (180deg=-5.14!) USER MOD Set 4.1: A 73 GLN : amide:sc= -0.981 X(o=-0.66,f=-0.18) USER MOD Set 4.2: C1915 SER OG : rot 106:sc= 0.319 USER MOD Set 5.1: A 64 SER OG : rot -25:sc= 0.981 USER MOD Set 5.2: C1911 ASN :FLIP amide:sc= -0.0496 F(o=0.24,f=0.93) USER MOD Set 6.1: A 57 LYS NZ :NH3+ -176:sc= 1.24 (180deg=0) USER MOD Set 6.2: A 61 ASN : amide:sc= 0.704 K(o=1.9,f=-11!) USER MOD Single : A 3 CYS SG : rot 180:sc= 0.011 USER MOD Single : A 7 LYS NZ :NH3+ 164:sc= 1.95 (180deg=1.83) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot -170:sc= -0.04 USER MOD Single : A 17 HIS : no HD1:sc= 0 X(o=0,f=-0.044) USER MOD Single : A 18 LYS NZ :NH3+ -178:sc= 1.28 (180deg=1.21) USER MOD Single : A 19 TYR OH : rot 180:sc= -0.68 USER MOD Single : A 20 SER OG : rot -82:sc= -0.27 USER MOD Single : A 28 LYS NZ :NH3+ -110:sc= 0.697 (180deg=-0.633) USER MOD Single : A 30 ASN : amide:sc= -1.89! C(o=-1.9!,f=-6.8!) USER MOD Single : A 31 LYS NZ :NH3+ 156:sc= 0.0346 (180deg=0) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 160:sc= 1.27 (180deg=1.11) USER MOD Single : A 39 THR OG1 : rot -67:sc= -1.65! USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 THR OG1 : rot 109:sc= -1.02 USER MOD Single : A 56 GLN :FLIP amide:sc= -0.0297 F(o=-1.4!,f=-0.03) USER MOD Single : A 59 MET CE :methyl 172:sc= -2.8! (180deg=-3.18!) USER MOD Single : A 60 SER OG : rot 73:sc= 1.28 USER MOD Single : A 65 ASN : amide:sc= -0.19 K(o=-0.19,f=-2.2!) USER MOD Single : A 68 ASN :FLIP amide:sc= -0.012 F(o=-1.8!,f=-0.012) USER MOD Single : A 75 TYR OH : rot -99:sc= -1.91 USER MOD Single : A 76 CYS SG : rot 67:sc= -3.22! USER MOD Single : A 85 MET CE :methyl 177:sc= -7.92! (180deg=-8.06!) USER MOD Single : A 86 CYS SG : rot -30:sc= -0.169 USER MOD Single : A 87 ASN : amide:sc= 0.709 K(o=0.71,f=0) USER MOD Single : B 3 CYS SG : rot 180:sc= 0.00462 USER MOD Single : B 7 LYS NZ :NH3+ 171:sc= 1.83 (180deg=1.51) USER MOD Single : B 14 SER OG : rot 180:sc= 0 USER MOD Single : B 15 THR OG1 : rot -110:sc= -0.0185 USER MOD Single : B 17 HIS : no HD1:sc= 0 X(o=0,f=-0.062) USER MOD Single : B 18 LYS NZ :NH3+ 165:sc= 1.27 (180deg=1.23) USER MOD Single : B 19 TYR OH : rot 180:sc= -0.585 USER MOD Single : B 20 SER OG : rot -88:sc= -0.359 USER MOD Single : B 28 LYS NZ :NH3+ -117:sc= 0.506 (180deg=-0.158) USER MOD Single : B 30 ASN : amide:sc= -2.19! C(o=-2.2!,f=-6.8!) USER MOD Single : B 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 32 SER OG : rot 180:sc= 0 USER MOD Single : B 35 LYS NZ :NH3+ -146:sc= 1.15 (180deg=0.264) USER MOD Single : B 39 THR OG1 : rot 170:sc= -2.01! USER MOD Single : B 44 SER OG : rot 180:sc= 0 USER MOD Single : B 48 LYS NZ :NH3+ 138:sc= -0.0402 (180deg=-0.341) USER MOD Single : B 50 THR OG1 : rot 48:sc= 0.0699 USER MOD Single : B 56 GLN : amide:sc= -1.06 K(o=-1.1,f=-3.2!) USER MOD Single : B 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 59 MET CE :methyl 172:sc= -1.78 (180deg=-2.16) USER MOD Single : B 60 SER OG : rot -35:sc= 0.193 USER MOD Single : B 64 SER OG : rot -24:sc= 0.0186 USER MOD Single : B 65 ASN : amide:sc= 1.22 K(o=1.2,f=-0.11) USER MOD Single : B 68 ASN :FLIP amide:sc= -0.0972 F(o=-2.2!,f=-0.097) USER MOD Single : B 73 GLN : amide:sc= -0.482 X(o=-0.48,f=-0.33) USER MOD Single : B 75 TYR OH : rot -15:sc= -0.0844 USER MOD Single : B 76 CYS SG : rot 60:sc= 0.403 USER MOD Single : B 81 CYS SG : rot -54:sc= -13.4! USER MOD Single : B 84 MET CE :methyl 157:sc= -8.85! (180deg=-13.1!) USER MOD Single : B 85 MET CE :methyl -148:sc= -0.271 (180deg=-1.83!) USER MOD Single : B 86 CYS SG : rot 69:sc= -3.6! USER MOD Single : B 87 ASN : amide:sc= 0 X(o=0,f=-0.014) USER MOD Single : C1904 THR OG1 : rot 3:sc= 0.797 USER MOD Single : C1906 THR OG1 : rot 180:sc= 0.104 USER MOD Single : C1916 SER OG : rot 180:sc= 0 USER MOD Single : C1918 LYS NZ :NH3+ -134:sc= -0.628 (180deg=-1.98!) USER MOD Single : C1919 ASN : amide:sc= 0 K(o=0,f=-0.55) USER MOD ----------------------------------------------------------------- ATOM 44 N GLU C1899 -14.909 -8.364 1.728 1.00 0.40 N ATOM 45 CA GLU C1899 -13.572 -8.817 2.082 1.00 0.29 C ATOM 46 C GLU C1899 -12.907 -7.811 2.991 1.00 0.24 C ATOM 47 O GLU C1899 -11.997 -8.131 3.752 1.00 0.27 O ATOM 48 CB GLU C1899 -12.755 -8.913 0.811 1.00 0.30 C ATOM 49 CG GLU C1899 -13.209 -7.885 -0.211 1.00 0.35 C ATOM 50 CD GLU C1899 -14.192 -8.475 -1.197 1.00 0.62 C ATOM 51 OE1 GLU C1899 -13.755 -9.144 -2.151 1.00 0.76 O ATOM 52 OE2 GLU C1899 -15.417 -8.319 -0.982 1.00 0.97 O ATOM 0 HA GLU C1899 -13.637 -9.780 2.589 1.00 0.29 H new ATOM 0 HB2 GLU C1899 -11.700 -8.761 1.041 1.00 0.30 H new ATOM 0 HB3 GLU C1899 -12.848 -9.914 0.390 1.00 0.30 H new ATOM 0 HG2 GLU C1899 -13.670 -7.041 0.302 1.00 0.35 H new ATOM 0 HG3 GLU C1899 -12.343 -7.498 -0.748 1.00 0.35 H new ATOM 59 N LEU C1900 -13.382 -6.580 2.888 1.00 0.24 N ATOM 60 CA LEU C1900 -12.807 -5.464 3.599 1.00 0.25 C ATOM 61 C LEU C1900 -12.956 -5.641 5.121 1.00 0.28 C ATOM 62 O LEU C1900 -12.466 -4.828 5.899 1.00 0.44 O ATOM 63 CB LEU C1900 -13.460 -4.142 3.158 1.00 0.33 C ATOM 64 CG LEU C1900 -13.200 -3.655 1.726 1.00 0.20 C ATOM 65 CD1 LEU C1900 -11.733 -3.741 1.361 1.00 0.22 C ATOM 66 CD2 LEU C1900 -14.059 -4.372 0.715 1.00 0.31 C ATOM 0 H LEU C1900 -14.181 -6.332 2.305 1.00 0.24 H new ATOM 0 HA LEU C1900 -11.745 -5.430 3.357 1.00 0.25 H new ATOM 0 HB2 LEU C1900 -14.538 -4.242 3.287 1.00 0.33 H new ATOM 0 HB3 LEU C1900 -13.129 -3.361 3.842 1.00 0.33 H new ATOM 0 HG LEU C1900 -13.485 -2.603 1.699 1.00 0.20 H new ATOM 0 HD11 LEU C1900 -11.591 -3.387 0.340 1.00 0.22 H new ATOM 0 HD12 LEU C1900 -11.151 -3.122 2.044 1.00 0.22 H new ATOM 0 HD13 LEU C1900 -11.399 -4.776 1.436 1.00 0.22 H new ATOM 0 HD21 LEU C1900 -13.839 -3.993 -0.283 1.00 0.31 H new ATOM 0 HD22 LEU C1900 -13.849 -5.441 0.752 1.00 0.31 H new ATOM 0 HD23 LEU C1900 -15.111 -4.201 0.944 1.00 0.31 H new ATOM 78 N GLU C1901 -13.643 -6.699 5.544 1.00 0.27 N ATOM 79 CA GLU C1901 -13.728 -7.021 6.962 1.00 0.34 C ATOM 80 C GLU C1901 -12.416 -7.615 7.450 1.00 0.37 C ATOM 81 O GLU C1901 -11.765 -7.057 8.325 1.00 0.52 O ATOM 82 CB GLU C1901 -14.865 -8.006 7.247 1.00 0.48 C ATOM 83 CG GLU C1901 -16.247 -7.401 7.124 1.00 1.00 C ATOM 84 CD GLU C1901 -17.340 -8.352 7.563 1.00 1.11 C ATOM 85 OE1 GLU C1901 -17.591 -8.460 8.782 1.00 1.48 O ATOM 86 OE2 GLU C1901 -17.974 -8.983 6.686 1.00 1.44 O ATOM 0 H GLU C1901 -14.144 -7.341 4.930 1.00 0.27 H new ATOM 0 HA GLU C1901 -13.932 -6.092 7.495 1.00 0.34 H new ATOM 0 HB2 GLU C1901 -14.785 -8.847 6.558 1.00 0.48 H new ATOM 0 HB3 GLU C1901 -14.742 -8.406 8.254 1.00 0.48 H new ATOM 0 HG2 GLU C1901 -16.297 -6.493 7.725 1.00 1.00 H new ATOM 0 HG3 GLU C1901 -16.420 -7.107 6.089 1.00 1.00 H new ATOM 93 N ASP C1902 -12.029 -8.738 6.866 1.00 0.37 N ATOM 94 CA ASP C1902 -10.832 -9.448 7.301 1.00 0.46 C ATOM 95 C ASP C1902 -9.584 -8.895 6.619 1.00 0.44 C ATOM 96 O ASP C1902 -8.462 -9.100 7.087 1.00 0.58 O ATOM 97 CB ASP C1902 -10.974 -10.943 7.004 1.00 0.60 C ATOM 98 CG ASP C1902 -9.846 -11.768 7.590 1.00 1.18 C ATOM 99 OD1 ASP C1902 -9.815 -11.946 8.827 1.00 1.42 O ATOM 100 OD2 ASP C1902 -8.990 -12.255 6.823 1.00 2.01 O ATOM 0 H ASP C1902 -12.524 -9.179 6.091 1.00 0.37 H new ATOM 0 HA ASP C1902 -10.722 -9.302 8.376 1.00 0.46 H new ATOM 0 HB2 ASP C1902 -11.924 -11.299 7.403 1.00 0.60 H new ATOM 0 HB3 ASP C1902 -11.005 -11.093 5.925 1.00 0.60 H new ATOM 105 N ALA C1903 -9.781 -8.183 5.519 1.00 0.36 N ATOM 106 CA ALA C1903 -8.664 -7.643 4.759 1.00 0.46 C ATOM 107 C ALA C1903 -8.165 -6.334 5.354 1.00 0.37 C ATOM 108 O ALA C1903 -7.050 -6.262 5.870 1.00 0.37 O ATOM 109 CB ALA C1903 -9.062 -7.436 3.309 1.00 0.66 C ATOM 0 H ALA C1903 -10.700 -7.967 5.134 1.00 0.36 H new ATOM 0 HA ALA C1903 -7.851 -8.367 4.808 1.00 0.46 H new ATOM 0 HB1 ALA C1903 -8.216 -7.032 2.754 1.00 0.66 H new ATOM 0 HB2 ALA C1903 -9.359 -8.390 2.874 1.00 0.66 H new ATOM 0 HB3 ALA C1903 -9.897 -6.738 3.257 1.00 0.66 H new ATOM 115 N THR C1904 -8.995 -5.300 5.300 1.00 0.37 N ATOM 116 CA THR C1904 -8.567 -3.973 5.707 1.00 0.36 C ATOM 117 C THR C1904 -8.753 -3.749 7.203 1.00 0.34 C ATOM 118 O THR C1904 -8.579 -2.640 7.691 1.00 0.36 O ATOM 119 CB THR C1904 -9.299 -2.875 4.915 1.00 0.40 C ATOM 120 OG1 THR C1904 -10.711 -3.043 5.032 1.00 0.42 O ATOM 121 CG2 THR C1904 -8.904 -2.915 3.447 1.00 0.40 C ATOM 0 H THR C1904 -9.962 -5.356 4.980 1.00 0.37 H new ATOM 0 HA THR C1904 -7.502 -3.910 5.484 1.00 0.36 H new ATOM 0 HB THR C1904 -9.012 -1.909 5.330 1.00 0.40 H new ATOM 0 HG1 THR C1904 -10.902 -3.798 5.627 1.00 0.42 H new ATOM 0 HG21 THR C1904 -9.433 -2.130 2.906 1.00 0.40 H new ATOM 0 HG22 THR C1904 -7.829 -2.758 3.355 1.00 0.40 H new ATOM 0 HG23 THR C1904 -9.166 -3.886 3.026 1.00 0.40 H new ATOM 129 N GLU C1905 -9.109 -4.807 7.925 1.00 0.32 N ATOM 130 CA GLU C1905 -9.098 -4.777 9.386 1.00 0.32 C ATOM 131 C GLU C1905 -7.735 -4.320 9.852 1.00 0.28 C ATOM 132 O GLU C1905 -7.584 -3.424 10.687 1.00 0.32 O ATOM 133 CB GLU C1905 -9.305 -6.179 9.926 1.00 0.36 C ATOM 134 CG GLU C1905 -9.376 -6.261 11.443 1.00 0.62 C ATOM 135 CD GLU C1905 -10.591 -5.563 12.021 1.00 1.25 C ATOM 136 OE1 GLU C1905 -11.680 -6.169 12.040 1.00 2.06 O ATOM 137 OE2 GLU C1905 -10.460 -4.405 12.466 1.00 1.76 O ATOM 0 H GLU C1905 -9.409 -5.696 7.524 1.00 0.32 H new ATOM 0 HA GLU C1905 -9.886 -4.109 9.735 1.00 0.32 H new ATOM 0 HB2 GLU C1905 -10.227 -6.584 9.508 1.00 0.36 H new ATOM 0 HB3 GLU C1905 -8.491 -6.814 9.577 1.00 0.36 H new ATOM 0 HG2 GLU C1905 -9.389 -7.309 11.744 1.00 0.62 H new ATOM 0 HG3 GLU C1905 -8.475 -5.819 11.867 1.00 0.62 H new ATOM 144 N THR C1906 -6.744 -4.961 9.257 1.00 0.25 N ATOM 145 CA THR C1906 -5.359 -4.774 9.597 1.00 0.24 C ATOM 146 C THR C1906 -4.859 -3.398 9.172 1.00 0.21 C ATOM 147 O THR C1906 -3.706 -3.044 9.435 1.00 0.19 O ATOM 148 CB THR C1906 -4.525 -5.867 8.911 1.00 0.29 C ATOM 149 OG1 THR C1906 -5.371 -6.986 8.605 1.00 0.48 O ATOM 150 CG2 THR C1906 -3.397 -6.328 9.816 1.00 0.47 C ATOM 0 H THR C1906 -6.891 -5.639 8.509 1.00 0.25 H new ATOM 0 HA THR C1906 -5.255 -4.843 10.680 1.00 0.24 H new ATOM 0 HB THR C1906 -4.096 -5.457 7.996 1.00 0.29 H new ATOM 0 HG1 THR C1906 -4.843 -7.685 8.166 1.00 0.48 H new ATOM 0 HG21 THR C1906 -2.819 -7.102 9.311 1.00 0.47 H new ATOM 0 HG22 THR C1906 -2.748 -5.483 10.048 1.00 0.47 H new ATOM 0 HG23 THR C1906 -3.813 -6.730 10.740 1.00 0.47 H new ATOM 158 N ALA C1907 -5.724 -2.620 8.515 1.00 0.23 N ATOM 159 CA ALA C1907 -5.354 -1.283 8.086 1.00 0.21 C ATOM 160 C ALA C1907 -4.979 -0.432 9.285 1.00 0.21 C ATOM 161 O ALA C1907 -3.983 0.284 9.257 1.00 0.21 O ATOM 162 CB ALA C1907 -6.464 -0.613 7.285 1.00 0.22 C ATOM 0 H ALA C1907 -6.676 -2.896 8.274 1.00 0.23 H new ATOM 0 HA ALA C1907 -4.490 -1.377 7.428 1.00 0.21 H new ATOM 0 HB1 ALA C1907 -6.144 0.385 6.985 1.00 0.22 H new ATOM 0 HB2 ALA C1907 -6.682 -1.207 6.397 1.00 0.22 H new ATOM 0 HB3 ALA C1907 -7.361 -0.537 7.899 1.00 0.22 H new ATOM 168 N ASP C1908 -5.772 -0.537 10.344 1.00 0.24 N ATOM 169 CA ASP C1908 -5.490 0.172 11.588 1.00 0.26 C ATOM 170 C ASP C1908 -4.099 -0.188 12.106 1.00 0.27 C ATOM 171 O ASP C1908 -3.335 0.691 12.501 1.00 0.34 O ATOM 172 CB ASP C1908 -6.549 -0.163 12.642 1.00 0.33 C ATOM 173 CG ASP C1908 -6.277 0.497 13.983 1.00 0.44 C ATOM 174 OD1 ASP C1908 -5.521 -0.076 14.796 1.00 0.68 O ATOM 175 OD2 ASP C1908 -6.803 1.600 14.225 1.00 0.58 O ATOM 0 H ASP C1908 -6.617 -1.107 10.367 1.00 0.24 H new ATOM 0 HA ASP C1908 -5.519 1.243 11.389 1.00 0.26 H new ATOM 0 HB2 ASP C1908 -7.528 0.152 12.280 1.00 0.33 H new ATOM 0 HB3 ASP C1908 -6.591 -1.244 12.777 1.00 0.33 H new ATOM 180 N ALA C1909 -3.766 -1.478 12.073 1.00 0.23 N ATOM 181 CA ALA C1909 -2.461 -1.936 12.549 1.00 0.24 C ATOM 182 C ALA C1909 -1.333 -1.381 11.680 1.00 0.22 C ATOM 183 O ALA C1909 -0.471 -0.645 12.167 1.00 0.24 O ATOM 184 CB ALA C1909 -2.403 -3.451 12.590 1.00 0.27 C ATOM 0 H ALA C1909 -4.375 -2.218 11.725 1.00 0.23 H new ATOM 0 HA ALA C1909 -2.326 -1.559 13.563 1.00 0.24 H new ATOM 0 HB1 ALA C1909 -1.423 -3.768 12.947 1.00 0.27 H new ATOM 0 HB2 ALA C1909 -3.174 -3.827 13.263 1.00 0.27 H new ATOM 0 HB3 ALA C1909 -2.571 -3.849 11.589 1.00 0.27 H new ATOM 190 N MET C1910 -1.337 -1.747 10.396 1.00 0.19 N ATOM 191 CA MET C1910 -0.405 -1.187 9.425 1.00 0.19 C ATOM 192 C MET C1910 -0.291 0.332 9.510 1.00 0.19 C ATOM 193 O MET C1910 0.778 0.861 9.325 1.00 0.22 O ATOM 194 CB MET C1910 -0.820 -1.587 8.012 1.00 0.18 C ATOM 195 CG MET C1910 -0.113 -0.801 6.914 1.00 0.20 C ATOM 196 SD MET C1910 -0.534 -1.409 5.282 1.00 0.20 S ATOM 197 CE MET C1910 -0.030 -3.117 5.444 1.00 0.14 C ATOM 0 H MET C1910 -1.982 -2.434 10.006 1.00 0.19 H new ATOM 0 HA MET C1910 0.576 -1.597 9.664 1.00 0.19 H new ATOM 0 HB2 MET C1910 -0.619 -2.649 7.872 1.00 0.18 H new ATOM 0 HB3 MET C1910 -1.896 -1.450 7.908 1.00 0.18 H new ATOM 0 HG2 MET C1910 -0.383 0.252 6.990 1.00 0.20 H new ATOM 0 HG3 MET C1910 0.965 -0.865 7.058 1.00 0.20 H new ATOM 0 HE1 MET C1910 -0.005 -3.584 4.459 1.00 0.14 H new ATOM 0 HE2 MET C1910 0.962 -3.163 5.892 1.00 0.14 H new ATOM 0 HE3 MET C1910 -0.740 -3.647 6.079 1.00 0.14 H new ATOM 207 N ASN C1911 -1.375 1.031 9.788 1.00 0.21 N ATOM 208 CA ASN C1911 -1.346 2.498 9.823 1.00 0.22 C ATOM 209 C ASN C1911 -0.452 3.021 10.939 1.00 0.23 C ATOM 210 O ASN C1911 0.273 4.000 10.757 1.00 0.27 O ATOM 211 CB ASN C1911 -2.756 3.039 10.010 1.00 0.24 C ATOM 212 CG ASN C1911 -2.813 4.542 9.906 1.00 0.25 C ATOM 213 OD1 ASN C1911 -3.035 5.027 8.701 1.00 0.42 O flip ATOM 214 ND2 ASN C1911 -2.658 5.257 10.897 1.00 0.25 N flip ATOM 0 H ASN C1911 -2.285 0.619 9.993 1.00 0.21 H new ATOM 0 HA ASN C1911 -0.936 2.841 8.873 1.00 0.22 H new ATOM 0 HB2 ASN C1911 -3.413 2.600 9.259 1.00 0.24 H new ATOM 0 HB3 ASN C1911 -3.135 2.730 10.984 1.00 0.24 H new ATOM 0 HD21 ASN C1911 -2.489 4.834 11.810 1.00 0.25 H new ATOM 0 HD22 ASN C1911 -2.699 6.272 10.805 1.00 0.25 H new ATOM 221 N ARG C1912 -0.491 2.370 12.083 1.00 0.23 N ATOM 222 CA ARG C1912 0.287 2.820 13.227 1.00 0.26 C ATOM 223 C ARG C1912 1.767 2.689 12.924 1.00 0.28 C ATOM 224 O ARG C1912 2.569 3.568 13.242 1.00 0.38 O ATOM 225 CB ARG C1912 -0.055 2.001 14.464 1.00 0.30 C ATOM 226 CG ARG C1912 -1.552 1.864 14.710 1.00 0.75 C ATOM 227 CD ARG C1912 -2.280 3.186 14.501 1.00 1.46 C ATOM 228 NE ARG C1912 -1.803 4.232 15.407 1.00 2.17 N ATOM 229 CZ ARG C1912 -2.190 5.506 15.342 1.00 2.91 C ATOM 230 NH1 ARG C1912 -3.070 5.895 14.428 1.00 3.13 N ATOM 231 NH2 ARG C1912 -1.693 6.393 16.193 1.00 3.76 N ATOM 0 H ARG C1912 -1.048 1.532 12.249 1.00 0.23 H new ATOM 0 HA ARG C1912 0.045 3.865 13.421 1.00 0.26 H new ATOM 0 HB2 ARG C1912 0.381 1.007 14.363 1.00 0.30 H new ATOM 0 HB3 ARG C1912 0.407 2.465 15.336 1.00 0.30 H new ATOM 0 HG2 ARG C1912 -1.964 1.111 14.038 1.00 0.75 H new ATOM 0 HG3 ARG C1912 -1.723 1.511 15.727 1.00 0.75 H new ATOM 0 HD2 ARG C1912 -2.146 3.513 13.470 1.00 1.46 H new ATOM 0 HD3 ARG C1912 -3.349 3.037 14.652 1.00 1.46 H new ATOM 0 HE ARG C1912 -1.134 3.970 16.132 1.00 2.17 H new ATOM 0 HH11 ARG C1912 -3.455 5.218 13.770 1.00 3.13 H new ATOM 0 HH12 ARG C1912 -3.362 6.871 14.384 1.00 3.13 H new ATOM 0 HH21 ARG C1912 -1.015 6.100 16.897 1.00 3.76 H new ATOM 0 HH22 ARG C1912 -1.989 7.368 16.144 1.00 3.76 H new ATOM 245 N GLU C1913 2.112 1.585 12.290 1.00 0.23 N ATOM 246 CA GLU C1913 3.480 1.339 11.891 1.00 0.25 C ATOM 247 C GLU C1913 3.808 2.066 10.593 1.00 0.22 C ATOM 248 O GLU C1913 4.935 2.439 10.379 1.00 0.27 O ATOM 249 CB GLU C1913 3.723 -0.161 11.732 1.00 0.29 C ATOM 250 CG GLU C1913 2.732 -0.830 10.802 1.00 0.29 C ATOM 251 CD GLU C1913 2.959 -2.317 10.662 1.00 0.39 C ATOM 252 OE1 GLU C1913 3.299 -2.964 11.671 1.00 0.79 O ATOM 253 OE2 GLU C1913 2.811 -2.842 9.539 1.00 0.57 O ATOM 0 H GLU C1913 1.459 0.842 12.040 1.00 0.23 H new ATOM 0 HA GLU C1913 4.136 1.723 12.672 1.00 0.25 H new ATOM 0 HB2 GLU C1913 4.732 -0.321 11.353 1.00 0.29 H new ATOM 0 HB3 GLU C1913 3.671 -0.637 12.711 1.00 0.29 H new ATOM 0 HG2 GLU C1913 1.722 -0.656 11.172 1.00 0.29 H new ATOM 0 HG3 GLU C1913 2.795 -0.365 9.818 1.00 0.29 H new ATOM 260 N VAL C1914 2.809 2.275 9.741 1.00 0.19 N ATOM 261 CA VAL C1914 3.020 2.874 8.421 1.00 0.20 C ATOM 262 C VAL C1914 3.469 4.318 8.545 1.00 0.18 C ATOM 263 O VAL C1914 4.367 4.763 7.838 1.00 0.20 O ATOM 264 CB VAL C1914 1.738 2.796 7.537 1.00 0.24 C ATOM 265 CG1 VAL C1914 0.790 3.950 7.785 1.00 0.26 C ATOM 266 CG2 VAL C1914 2.081 2.730 6.070 1.00 0.29 C ATOM 0 H VAL C1914 1.837 2.037 9.940 1.00 0.19 H new ATOM 0 HA VAL C1914 3.806 2.297 7.934 1.00 0.20 H new ATOM 0 HB VAL C1914 1.231 1.876 7.827 1.00 0.24 H new ATOM 0 HG11 VAL C1914 -0.085 3.846 7.144 1.00 0.26 H new ATOM 0 HG12 VAL C1914 0.477 3.946 8.829 1.00 0.26 H new ATOM 0 HG13 VAL C1914 1.294 4.890 7.561 1.00 0.26 H new ATOM 0 HG21 VAL C1914 1.164 2.677 5.484 1.00 0.29 H new ATOM 0 HG22 VAL C1914 2.641 3.621 5.787 1.00 0.29 H new ATOM 0 HG23 VAL C1914 2.687 1.844 5.877 1.00 0.29 H new ATOM 276 N SER C1915 2.854 5.044 9.460 1.00 0.21 N ATOM 277 CA SER C1915 3.148 6.442 9.620 1.00 0.28 C ATOM 278 C SER C1915 4.501 6.588 10.306 1.00 0.28 C ATOM 279 O SER C1915 5.229 7.556 10.079 1.00 0.36 O ATOM 280 CB SER C1915 2.026 7.111 10.403 1.00 0.36 C ATOM 281 OG SER C1915 2.006 8.519 10.197 1.00 1.31 O ATOM 0 H SER C1915 2.148 4.681 10.101 1.00 0.21 H new ATOM 0 HA SER C1915 3.209 6.939 8.652 1.00 0.28 H new ATOM 0 HB2 SER C1915 1.069 6.686 10.102 1.00 0.36 H new ATOM 0 HB3 SER C1915 2.148 6.901 11.465 1.00 0.36 H new ATOM 0 HG SER C1915 1.259 8.753 9.608 1.00 1.31 H new ATOM 287 N SER C1916 4.842 5.595 11.125 1.00 0.25 N ATOM 288 CA SER C1916 6.156 5.538 11.746 1.00 0.27 C ATOM 289 C SER C1916 7.202 5.035 10.745 1.00 0.27 C ATOM 290 O SER C1916 8.312 5.561 10.677 1.00 0.29 O ATOM 291 CB SER C1916 6.115 4.623 12.975 1.00 0.31 C ATOM 292 OG SER C1916 7.332 4.677 13.702 1.00 1.04 O ATOM 0 H SER C1916 4.225 4.821 11.371 1.00 0.25 H new ATOM 0 HA SER C1916 6.437 6.543 12.062 1.00 0.27 H new ATOM 0 HB2 SER C1916 5.289 4.918 13.623 1.00 0.31 H new ATOM 0 HB3 SER C1916 5.923 3.597 12.660 1.00 0.31 H new ATOM 0 HG SER C1916 7.275 4.084 14.480 1.00 1.04 H new ATOM 298 N LEU C1917 6.831 4.022 9.965 1.00 0.30 N ATOM 299 CA LEU C1917 7.725 3.395 9.004 1.00 0.30 C ATOM 300 C LEU C1917 8.047 4.338 7.857 1.00 0.26 C ATOM 301 O LEU C1917 9.215 4.544 7.540 1.00 0.26 O ATOM 302 CB LEU C1917 7.124 2.083 8.469 1.00 0.42 C ATOM 303 CG LEU C1917 8.062 1.221 7.608 1.00 0.57 C ATOM 304 CD1 LEU C1917 7.449 -0.137 7.347 1.00 1.25 C ATOM 305 CD2 LEU C1917 8.356 1.890 6.285 1.00 1.16 C ATOM 0 H LEU C1917 5.896 3.614 9.985 1.00 0.30 H new ATOM 0 HA LEU C1917 8.655 3.161 9.522 1.00 0.30 H new ATOM 0 HB2 LEU C1917 6.789 1.486 9.317 1.00 0.42 H new ATOM 0 HB3 LEU C1917 6.239 2.324 7.880 1.00 0.42 H new ATOM 0 HG LEU C1917 8.993 1.101 8.162 1.00 0.57 H new ATOM 0 HD11 LEU C1917 8.128 -0.732 6.736 1.00 1.25 H new ATOM 0 HD12 LEU C1917 7.274 -0.646 8.295 1.00 1.25 H new ATOM 0 HD13 LEU C1917 6.502 -0.014 6.821 1.00 1.25 H new ATOM 0 HD21 LEU C1917 9.022 1.258 5.697 1.00 1.16 H new ATOM 0 HD22 LEU C1917 7.425 2.042 5.739 1.00 1.16 H new ATOM 0 HD23 LEU C1917 8.834 2.853 6.463 1.00 1.16 H new ATOM 317 N LYS C1918 7.030 4.895 7.213 1.00 0.28 N ATOM 318 CA LYS C1918 7.267 5.761 6.068 1.00 0.29 C ATOM 319 C LYS C1918 8.170 6.936 6.466 1.00 0.32 C ATOM 320 O LYS C1918 8.806 7.571 5.624 1.00 0.38 O ATOM 321 CB LYS C1918 5.941 6.217 5.432 1.00 0.39 C ATOM 322 CG LYS C1918 5.713 7.709 5.396 1.00 0.29 C ATOM 323 CD LYS C1918 5.070 8.178 6.685 1.00 0.40 C ATOM 324 CE LYS C1918 5.172 9.674 6.857 1.00 0.69 C ATOM 325 NZ LYS C1918 4.614 10.446 5.707 1.00 1.36 N ATOM 0 H LYS C1918 6.049 4.765 7.459 1.00 0.28 H new ATOM 0 HA LYS C1918 7.795 5.195 5.300 1.00 0.29 H new ATOM 0 HB2 LYS C1918 5.899 5.836 4.411 1.00 0.39 H new ATOM 0 HB3 LYS C1918 5.119 5.755 5.979 1.00 0.39 H new ATOM 0 HG2 LYS C1918 6.662 8.224 5.247 1.00 0.29 H new ATOM 0 HG3 LYS C1918 5.075 7.965 4.550 1.00 0.29 H new ATOM 0 HD2 LYS C1918 4.021 7.883 6.695 1.00 0.40 H new ATOM 0 HD3 LYS C1918 5.548 7.683 7.530 1.00 0.40 H new ATOM 0 HE2 LYS C1918 4.647 9.964 7.767 1.00 0.69 H new ATOM 0 HE3 LYS C1918 6.219 9.945 6.993 1.00 0.69 H new ATOM 0 HZ1 LYS C1918 5.278 11.201 5.441 1.00 1.36 H new ATOM 0 HZ2 LYS C1918 4.472 9.809 4.897 1.00 1.36 H new ATOM 0 HZ3 LYS C1918 3.703 10.867 5.981 1.00 1.36 H new ATOM 339 N ASN C1919 8.233 7.192 7.770 1.00 0.31 N ATOM 340 CA ASN C1919 9.128 8.192 8.325 1.00 0.33 C ATOM 341 C ASN C1919 10.480 7.583 8.714 1.00 0.32 C ATOM 342 O ASN C1919 11.498 8.268 8.666 1.00 0.41 O ATOM 343 CB ASN C1919 8.497 8.843 9.556 1.00 0.37 C ATOM 344 CG ASN C1919 9.337 9.983 10.102 1.00 0.43 C ATOM 345 OD1 ASN C1919 9.982 10.718 9.349 1.00 1.05 O ATOM 346 ND2 ASN C1919 9.350 10.131 11.416 1.00 1.15 N ATOM 0 H ASN C1919 7.665 6.711 8.467 1.00 0.31 H new ATOM 0 HA ASN C1919 9.296 8.944 7.554 1.00 0.33 H new ATOM 0 HB2 ASN C1919 7.506 9.217 9.298 1.00 0.37 H new ATOM 0 HB3 ASN C1919 8.362 8.090 10.333 1.00 0.37 H new ATOM 0 HD21 ASN C1919 9.907 10.873 11.840 1.00 1.15 H new ATOM 0 HD22 ASN C1919 8.803 9.503 12.005 1.00 1.15 H new ATOM 353 N LYS C1920 10.510 6.287 9.054 1.00 0.28 N ATOM 354 CA LYS C1920 11.694 5.682 9.603 1.00 0.37 C ATOM 355 C LYS C1920 12.585 5.303 8.444 1.00 0.41 C ATOM 356 O LYS C1920 13.787 5.109 8.587 1.00 0.53 O ATOM 357 CB LYS C1920 11.318 4.450 10.434 1.00 0.48 C ATOM 358 CG LYS C1920 10.903 3.246 9.599 1.00 0.33 C ATOM 359 CD LYS C1920 10.763 1.984 10.446 1.00 0.44 C ATOM 360 CE LYS C1920 11.860 1.843 11.496 1.00 1.36 C ATOM 361 NZ LYS C1920 13.184 1.504 10.914 1.00 1.64 N ATOM 0 H LYS C1920 9.719 5.651 8.952 1.00 0.28 H new ATOM 0 HA LYS C1920 12.216 6.373 10.265 1.00 0.37 H new ATOM 0 HB2 LYS C1920 12.167 4.172 11.058 1.00 0.48 H new ATOM 0 HB3 LYS C1920 10.501 4.713 11.106 1.00 0.48 H new ATOM 0 HG2 LYS C1920 9.955 3.457 9.104 1.00 0.33 H new ATOM 0 HG3 LYS C1920 11.641 3.077 8.815 1.00 0.33 H new ATOM 0 HD2 LYS C1920 9.793 1.993 10.942 1.00 0.44 H new ATOM 0 HD3 LYS C1920 10.779 1.112 9.793 1.00 0.44 H new ATOM 0 HE2 LYS C1920 11.943 2.776 12.053 1.00 1.36 H new ATOM 0 HE3 LYS C1920 11.575 1.070 12.209 1.00 1.36 H new ATOM 0 HZ1 LYS C1920 13.935 1.764 11.585 1.00 1.64 H new ATOM 0 HZ2 LYS C1920 13.228 0.483 10.724 1.00 1.64 H new ATOM 0 HZ3 LYS C1920 13.317 2.028 10.025 1.00 1.64 H new ATOM 375 N LEU C1921 11.945 5.189 7.291 1.00 0.38 N ATOM 376 CA LEU C1921 12.632 5.027 6.037 1.00 0.46 C ATOM 377 C LEU C1921 13.406 6.287 5.707 1.00 0.59 C ATOM 378 O LEU C1921 14.632 6.296 5.744 1.00 0.92 O ATOM 379 CB LEU C1921 11.622 4.708 4.924 1.00 0.44 C ATOM 380 CG LEU C1921 11.152 3.259 4.872 1.00 0.38 C ATOM 381 CD1 LEU C1921 10.044 3.065 3.845 1.00 0.40 C ATOM 382 CD2 LEU C1921 12.316 2.364 4.532 1.00 0.48 C ATOM 0 H LEU C1921 10.929 5.207 7.207 1.00 0.38 H new ATOM 0 HA LEU C1921 13.335 4.198 6.117 1.00 0.46 H new ATOM 0 HB2 LEU C1921 10.751 5.352 5.050 1.00 0.44 H new ATOM 0 HB3 LEU C1921 12.071 4.963 3.964 1.00 0.44 H new ATOM 0 HG LEU C1921 10.752 2.999 5.852 1.00 0.38 H new ATOM 0 HD11 LEU C1921 9.735 2.020 3.836 1.00 0.40 H new ATOM 0 HD12 LEU C1921 9.192 3.693 4.106 1.00 0.40 H new ATOM 0 HD13 LEU C1921 10.411 3.343 2.857 1.00 0.40 H new ATOM 0 HD21 LEU C1921 11.980 1.328 4.495 1.00 0.48 H new ATOM 0 HD22 LEU C1921 12.722 2.649 3.561 1.00 0.48 H new ATOM 0 HD23 LEU C1921 13.089 2.467 5.293 1.00 0.48 H new ATOM 394 N ARG C1922 12.686 7.370 5.454 1.00 0.49 N ATOM 395 CA ARG C1922 13.299 8.598 4.980 1.00 0.66 C ATOM 396 C ARG C1922 14.148 9.255 6.074 1.00 0.65 C ATOM 397 O ARG C1922 14.721 10.330 5.882 1.00 0.78 O ATOM 398 CB ARG C1922 12.225 9.545 4.460 1.00 0.87 C ATOM 399 CG ARG C1922 12.717 10.379 3.290 1.00 1.15 C ATOM 400 CD ARG C1922 11.586 11.014 2.498 1.00 1.07 C ATOM 401 NE ARG C1922 10.866 12.053 3.233 1.00 1.64 N ATOM 402 CZ ARG C1922 11.180 13.348 3.181 1.00 2.45 C ATOM 403 NH1 ARG C1922 12.321 13.740 2.630 1.00 2.92 N ATOM 404 NH2 ARG C1922 10.360 14.245 3.706 1.00 3.23 N ATOM 0 H ARG C1922 11.674 7.421 5.570 1.00 0.49 H new ATOM 0 HA ARG C1922 13.973 8.357 4.158 1.00 0.66 H new ATOM 0 HB2 ARG C1922 11.352 8.969 4.152 1.00 0.87 H new ATOM 0 HB3 ARG C1922 11.903 10.205 5.265 1.00 0.87 H new ATOM 0 HG2 ARG C1922 13.378 11.162 3.661 1.00 1.15 H new ATOM 0 HG3 ARG C1922 13.310 9.750 2.626 1.00 1.15 H new ATOM 0 HD2 ARG C1922 11.992 11.444 1.582 1.00 1.07 H new ATOM 0 HD3 ARG C1922 10.882 10.237 2.200 1.00 1.07 H new ATOM 0 HE ARG C1922 10.080 11.771 3.818 1.00 1.64 H new ATOM 0 HH11 ARG C1922 12.964 13.049 2.243 1.00 2.92 H new ATOM 0 HH12 ARG C1922 12.555 14.732 2.593 1.00 2.92 H new ATOM 0 HH21 ARG C1922 9.491 13.945 4.148 1.00 3.23 H new ATOM 0 HH22 ARG C1922 10.597 15.236 3.668 1.00 3.23 H new ATOM 461 N LEU C1926 18.446 6.234 3.294 1.00 0.64 N ATOM 462 CA LEU C1926 17.806 5.299 2.386 1.00 0.60 C ATOM 463 C LEU C1926 18.445 5.348 1.011 1.00 0.54 C ATOM 464 O LEU C1926 18.909 6.399 0.562 1.00 0.72 O ATOM 465 CB LEU C1926 16.318 5.600 2.217 1.00 0.93 C ATOM 466 CG LEU C1926 15.386 5.128 3.328 1.00 0.48 C ATOM 467 CD1 LEU C1926 14.040 4.771 2.729 1.00 0.56 C ATOM 468 CD2 LEU C1926 15.956 3.945 4.087 1.00 0.57 C ATOM 0 HA LEU C1926 17.933 4.311 2.829 1.00 0.60 H new ATOM 0 HB2 LEU C1926 16.200 6.678 2.111 1.00 0.93 H new ATOM 0 HB3 LEU C1926 15.985 5.150 1.282 1.00 0.93 H new ATOM 0 HG LEU C1926 15.272 5.941 4.045 1.00 0.48 H new ATOM 0 HD11 LEU C1926 13.369 4.433 3.518 1.00 0.56 H new ATOM 0 HD12 LEU C1926 13.614 5.648 2.242 1.00 0.56 H new ATOM 0 HD13 LEU C1926 14.168 3.975 1.995 1.00 0.56 H new ATOM 0 HD21 LEU C1926 15.258 3.643 4.868 1.00 0.57 H new ATOM 0 HD22 LEU C1926 16.113 3.113 3.400 1.00 0.57 H new ATOM 0 HD23 LEU C1926 16.907 4.227 4.539 1.00 0.57 H new ATOM 480 N PRO C1927 18.473 4.205 0.324 1.00 0.46 N ATOM 481 CA PRO C1927 18.829 4.142 -1.084 1.00 0.55 C ATOM 482 C PRO C1927 17.595 4.293 -1.963 1.00 0.63 C ATOM 483 O PRO C1927 17.666 4.167 -3.185 1.00 1.12 O ATOM 484 CB PRO C1927 19.399 2.737 -1.213 1.00 0.54 C ATOM 485 CG PRO C1927 18.645 1.922 -0.215 1.00 0.44 C ATOM 486 CD PRO C1927 18.192 2.868 0.875 1.00 0.41 C ATOM 0 HA PRO C1927 19.516 4.930 -1.393 1.00 0.55 H new ATOM 0 HB2 PRO C1927 19.265 2.348 -2.222 1.00 0.54 H new ATOM 0 HB3 PRO C1927 20.469 2.724 -1.006 1.00 0.54 H new ATOM 0 HG2 PRO C1927 17.790 1.434 -0.682 1.00 0.44 H new ATOM 0 HG3 PRO C1927 19.276 1.134 0.196 1.00 0.44 H new ATOM 0 HD2 PRO C1927 17.132 2.742 1.098 1.00 0.41 H new ATOM 0 HD3 PRO C1927 18.736 2.697 1.804 1.00 0.41 H new ATOM 494 N PHE C1928 16.465 4.563 -1.322 1.00 0.30 N ATOM 495 CA PHE C1928 15.184 4.579 -1.999 1.00 0.27 C ATOM 496 C PHE C1928 14.244 5.578 -1.342 1.00 0.27 C ATOM 497 O PHE C1928 14.147 5.623 -0.122 1.00 0.31 O ATOM 498 CB PHE C1928 14.615 3.150 -2.004 1.00 0.24 C ATOM 499 CG PHE C1928 13.310 2.928 -1.310 1.00 0.23 C ATOM 500 CD1 PHE C1928 12.216 3.667 -1.681 1.00 0.30 C ATOM 501 CD2 PHE C1928 13.179 2.026 -0.274 1.00 0.26 C ATOM 502 CE1 PHE C1928 11.011 3.509 -1.045 1.00 0.33 C ATOM 503 CE2 PHE C1928 11.986 1.866 0.367 1.00 0.29 C ATOM 504 CZ PHE C1928 10.916 2.428 -0.044 1.00 0.27 C ATOM 0 H PHE C1928 16.415 4.775 -0.326 1.00 0.30 H new ATOM 0 HA PHE C1928 15.304 4.906 -3.032 1.00 0.27 H new ATOM 0 HB2 PHE C1928 14.503 2.836 -3.042 1.00 0.24 H new ATOM 0 HB3 PHE C1928 15.355 2.491 -1.550 1.00 0.24 H new ATOM 0 HD1 PHE C1928 12.304 4.383 -2.485 1.00 0.30 H new ATOM 0 HD2 PHE C1928 14.032 1.439 0.033 1.00 0.26 H new ATOM 0 HE1 PHE C1928 10.169 4.147 -1.267 1.00 0.33 H new ATOM 0 HE2 PHE C1928 11.945 1.245 1.249 1.00 0.29 H new ATOM 0 HZ PHE C1928 9.954 2.117 0.336 1.00 0.27 H new ATOM 514 N VAL C1929 13.550 6.355 -2.170 1.00 0.25 N ATOM 515 CA VAL C1929 12.621 7.394 -1.716 1.00 0.25 C ATOM 516 C VAL C1929 11.729 7.826 -2.856 1.00 0.25 C ATOM 517 O VAL C1929 12.058 7.623 -4.020 1.00 0.27 O ATOM 518 CB VAL C1929 13.347 8.654 -1.244 1.00 0.29 C ATOM 519 CG1 VAL C1929 13.964 8.451 0.116 1.00 0.62 C ATOM 520 CG2 VAL C1929 14.386 9.023 -2.275 1.00 0.62 C ATOM 0 H VAL C1929 13.615 6.283 -3.185 1.00 0.25 H new ATOM 0 HA VAL C1929 12.056 6.957 -0.893 1.00 0.25 H new ATOM 0 HB VAL C1929 12.634 9.472 -1.142 1.00 0.29 H new ATOM 0 HG11 VAL C1929 14.473 9.364 0.425 1.00 0.62 H new ATOM 0 HG12 VAL C1929 13.183 8.209 0.837 1.00 0.62 H new ATOM 0 HG13 VAL C1929 14.682 7.633 0.071 1.00 0.62 H new ATOM 0 HG21 VAL C1929 14.914 9.921 -1.954 1.00 0.62 H new ATOM 0 HG22 VAL C1929 15.097 8.204 -2.385 1.00 0.62 H new ATOM 0 HG23 VAL C1929 13.899 9.211 -3.232 1.00 0.62 H new ATOM 530 N VAL C1930 10.630 8.470 -2.531 1.00 0.26 N ATOM 531 CA VAL C1930 9.760 8.989 -3.560 1.00 0.26 C ATOM 532 C VAL C1930 10.214 10.378 -3.996 1.00 0.29 C ATOM 533 O VAL C1930 10.436 11.262 -3.168 1.00 0.32 O ATOM 534 CB VAL C1930 8.301 9.067 -3.105 1.00 0.28 C ATOM 535 CG1 VAL C1930 7.402 9.377 -4.291 1.00 0.34 C ATOM 536 CG2 VAL C1930 7.888 7.774 -2.429 1.00 0.32 C ATOM 0 H VAL C1930 10.321 8.645 -1.575 1.00 0.26 H new ATOM 0 HA VAL C1930 9.821 8.293 -4.397 1.00 0.26 H new ATOM 0 HB VAL C1930 8.198 9.872 -2.378 1.00 0.28 H new ATOM 0 HG11 VAL C1930 6.366 9.431 -3.958 1.00 0.34 H new ATOM 0 HG12 VAL C1930 7.693 10.332 -4.728 1.00 0.34 H new ATOM 0 HG13 VAL C1930 7.502 8.591 -5.039 1.00 0.34 H new ATOM 0 HG21 VAL C1930 6.848 7.846 -2.111 1.00 0.32 H new ATOM 0 HG22 VAL C1930 7.997 6.946 -3.130 1.00 0.32 H new ATOM 0 HG23 VAL C1930 8.522 7.599 -1.560 1.00 0.32 H new ATOM 546 N PRO C1931 10.411 10.557 -5.303 1.00 0.34 N ATOM 547 CA PRO C1931 10.664 11.865 -5.898 1.00 0.42 C ATOM 548 C PRO C1931 9.454 12.793 -5.771 1.00 0.45 C ATOM 549 O PRO C1931 8.376 12.366 -5.361 1.00 0.45 O ATOM 550 CB PRO C1931 10.957 11.550 -7.370 1.00 0.56 C ATOM 551 CG PRO C1931 10.385 10.193 -7.608 1.00 0.48 C ATOM 552 CD PRO C1931 10.429 9.475 -6.293 1.00 0.36 C ATOM 0 HA PRO C1931 11.481 12.389 -5.402 1.00 0.42 H new ATOM 0 HB2 PRO C1931 10.500 12.289 -8.028 1.00 0.56 H new ATOM 0 HB3 PRO C1931 12.029 11.565 -7.569 1.00 0.56 H new ATOM 0 HG2 PRO C1931 9.362 10.263 -7.978 1.00 0.48 H new ATOM 0 HG3 PRO C1931 10.961 9.656 -8.362 1.00 0.48 H new ATOM 0 HD2 PRO C1931 9.575 8.808 -6.172 1.00 0.36 H new ATOM 0 HD3 PRO C1931 11.327 8.863 -6.201 1.00 0.36 H new ATOM 560 N ARG C1932 9.641 14.067 -6.119 1.00 0.54 N ATOM 561 CA ARG C1932 8.569 15.068 -6.015 1.00 0.70 C ATOM 562 C ARG C1932 7.357 14.709 -6.881 1.00 0.89 C ATOM 563 O ARG C1932 6.294 15.316 -6.762 1.00 1.79 O ATOM 564 CB ARG C1932 9.079 16.472 -6.382 1.00 0.83 C ATOM 565 CG ARG C1932 9.578 16.612 -7.815 1.00 1.53 C ATOM 566 CD ARG C1932 10.976 16.045 -7.985 1.00 2.00 C ATOM 567 NE ARG C1932 11.383 15.997 -9.384 1.00 2.79 N ATOM 568 CZ ARG C1932 12.381 15.243 -9.845 1.00 3.62 C ATOM 569 NH1 ARG C1932 13.100 14.491 -9.011 1.00 3.88 N ATOM 570 NH2 ARG C1932 12.656 15.246 -11.142 1.00 4.56 N ATOM 0 H ARG C1932 10.523 14.434 -6.476 1.00 0.54 H new ATOM 0 HA ARG C1932 8.248 15.071 -4.973 1.00 0.70 H new ATOM 0 HB2 ARG C1932 8.275 17.190 -6.219 1.00 0.83 H new ATOM 0 HB3 ARG C1932 9.888 16.740 -5.702 1.00 0.83 H new ATOM 0 HG2 ARG C1932 8.893 16.098 -8.490 1.00 1.53 H new ATOM 0 HG3 ARG C1932 9.576 17.664 -8.099 1.00 1.53 H new ATOM 0 HD2 ARG C1932 11.684 16.654 -7.423 1.00 2.00 H new ATOM 0 HD3 ARG C1932 11.013 15.041 -7.563 1.00 2.00 H new ATOM 0 HE ARG C1932 10.873 16.576 -10.051 1.00 2.79 H new ATOM 0 HH11 ARG C1932 12.888 14.490 -8.013 1.00 3.88 H new ATOM 0 HH12 ARG C1932 13.862 13.916 -9.371 1.00 3.88 H new ATOM 0 HH21 ARG C1932 12.106 15.822 -11.779 1.00 4.56 H new ATOM 0 HH22 ARG C1932 13.418 14.672 -11.503 1.00 4.56 H new ATOM 584 N ARG C1933 7.537 13.738 -7.753 1.00 0.74 N ATOM 585 CA ARG C1933 6.457 13.179 -8.548 1.00 0.76 C ATOM 586 C ARG C1933 6.776 11.715 -8.788 1.00 0.65 C ATOM 587 O ARG C1933 7.749 11.217 -8.239 1.00 0.69 O ATOM 588 CB ARG C1933 6.296 13.932 -9.877 1.00 0.95 C ATOM 589 CG ARG C1933 7.571 14.026 -10.704 1.00 1.66 C ATOM 590 CD ARG C1933 7.312 14.667 -12.061 1.00 1.80 C ATOM 591 NE ARG C1933 6.784 16.025 -11.940 1.00 2.56 N ATOM 592 CZ ARG C1933 5.897 16.561 -12.780 1.00 2.86 C ATOM 593 NH1 ARG C1933 5.445 15.859 -13.813 1.00 2.53 N ATOM 594 NH2 ARG C1933 5.472 17.805 -12.597 1.00 3.92 N ATOM 0 H ARG C1933 8.445 13.309 -7.933 1.00 0.74 H new ATOM 0 HA ARG C1933 5.510 13.279 -8.017 1.00 0.76 H new ATOM 0 HB2 ARG C1933 5.528 13.437 -10.471 1.00 0.95 H new ATOM 0 HB3 ARG C1933 5.937 14.940 -9.669 1.00 0.95 H new ATOM 0 HG2 ARG C1933 8.315 14.609 -10.162 1.00 1.66 H new ATOM 0 HG3 ARG C1933 7.988 13.029 -10.845 1.00 1.66 H new ATOM 0 HD2 ARG C1933 8.240 14.690 -12.633 1.00 1.80 H new ATOM 0 HD3 ARG C1933 6.607 14.054 -12.622 1.00 1.80 H new ATOM 0 HE ARG C1933 7.115 16.599 -11.164 1.00 2.56 H new ATOM 0 HH11 ARG C1933 5.776 14.906 -13.966 1.00 2.53 H new ATOM 0 HH12 ARG C1933 4.767 16.272 -14.453 1.00 2.53 H new ATOM 0 HH21 ARG C1933 5.824 18.354 -11.812 1.00 3.92 H new ATOM 0 HH22 ARG C1933 4.794 18.212 -13.241 1.00 3.92 H new ATOM 654 N ALA A 2 1.670 -2.175 -17.527 1.00 0.37 N ATOM 655 CA ALA A 2 2.373 -1.076 -16.883 1.00 0.33 C ATOM 656 C ALA A 2 3.376 -1.632 -15.884 1.00 0.30 C ATOM 657 O ALA A 2 3.381 -2.835 -15.635 1.00 0.39 O ATOM 658 CB ALA A 2 1.379 -0.163 -16.185 1.00 0.33 C ATOM 0 HA ALA A 2 2.907 -0.495 -17.635 1.00 0.33 H new ATOM 0 HB1 ALA A 2 1.913 0.657 -15.705 1.00 0.33 H new ATOM 0 HB2 ALA A 2 0.678 0.239 -16.917 1.00 0.33 H new ATOM 0 HB3 ALA A 2 0.832 -0.729 -15.432 1.00 0.33 H new ATOM 664 N CYS A 3 4.219 -0.768 -15.322 1.00 0.29 N ATOM 665 CA CYS A 3 5.138 -1.167 -14.275 1.00 0.27 C ATOM 666 C CYS A 3 4.335 -1.526 -13.035 1.00 0.22 C ATOM 667 O CYS A 3 3.834 -0.644 -12.334 1.00 0.21 O ATOM 668 CB CYS A 3 6.121 -0.036 -13.974 1.00 0.32 C ATOM 669 SG CYS A 3 6.945 0.632 -15.436 1.00 0.43 S ATOM 0 H CYS A 3 4.279 0.217 -15.581 1.00 0.29 H new ATOM 0 HA CYS A 3 5.715 -2.033 -14.598 1.00 0.27 H new ATOM 0 HB2 CYS A 3 5.588 0.770 -13.470 1.00 0.32 H new ATOM 0 HB3 CYS A 3 6.877 -0.401 -13.279 1.00 0.32 H new ATOM 0 HG CYS A 3 7.755 1.585 -15.080 1.00 0.43 H new ATOM 675 N PRO A 4 4.194 -2.828 -12.770 1.00 0.20 N ATOM 676 CA PRO A 4 3.258 -3.348 -11.767 1.00 0.18 C ATOM 677 C PRO A 4 3.402 -2.694 -10.401 1.00 0.16 C ATOM 678 O PRO A 4 2.496 -1.999 -9.939 1.00 0.16 O ATOM 679 CB PRO A 4 3.665 -4.816 -11.676 1.00 0.21 C ATOM 680 CG PRO A 4 4.192 -5.135 -13.026 1.00 0.24 C ATOM 681 CD PRO A 4 4.946 -3.911 -13.435 1.00 0.24 C ATOM 0 HA PRO A 4 2.222 -3.164 -12.051 1.00 0.18 H new ATOM 0 HB2 PRO A 4 4.421 -4.972 -10.907 1.00 0.21 H new ATOM 0 HB3 PRO A 4 2.815 -5.449 -11.421 1.00 0.21 H new ATOM 0 HG2 PRO A 4 4.841 -6.011 -13.002 1.00 0.24 H new ATOM 0 HG3 PRO A 4 3.385 -5.356 -13.725 1.00 0.24 H new ATOM 0 HD2 PRO A 4 5.984 -3.945 -13.104 1.00 0.24 H new ATOM 0 HD3 PRO A 4 4.961 -3.788 -14.518 1.00 0.24 H new ATOM 689 N LEU A 5 4.557 -2.878 -9.781 1.00 0.16 N ATOM 690 CA LEU A 5 4.765 -2.400 -8.425 1.00 0.17 C ATOM 691 C LEU A 5 4.833 -0.878 -8.418 1.00 0.19 C ATOM 692 O LEU A 5 4.415 -0.238 -7.462 1.00 0.24 O ATOM 693 CB LEU A 5 6.044 -3.011 -7.839 1.00 0.17 C ATOM 694 CG LEU A 5 5.993 -3.384 -6.346 1.00 0.18 C ATOM 695 CD1 LEU A 5 5.843 -2.153 -5.473 1.00 0.20 C ATOM 696 CD2 LEU A 5 4.865 -4.362 -6.072 1.00 0.20 C ATOM 0 H LEU A 5 5.360 -3.352 -10.193 1.00 0.16 H new ATOM 0 HA LEU A 5 3.926 -2.710 -7.801 1.00 0.17 H new ATOM 0 HB2 LEU A 5 6.288 -3.908 -8.409 1.00 0.17 H new ATOM 0 HB3 LEU A 5 6.861 -2.306 -7.989 1.00 0.17 H new ATOM 0 HG LEU A 5 6.940 -3.863 -6.096 1.00 0.18 H new ATOM 0 HD11 LEU A 5 5.810 -2.452 -4.425 1.00 0.20 H new ATOM 0 HD12 LEU A 5 6.691 -1.487 -5.634 1.00 0.20 H new ATOM 0 HD13 LEU A 5 4.920 -1.634 -5.731 1.00 0.20 H new ATOM 0 HD21 LEU A 5 4.849 -4.611 -5.011 1.00 0.20 H new ATOM 0 HD22 LEU A 5 3.914 -3.909 -6.353 1.00 0.20 H new ATOM 0 HD23 LEU A 5 5.021 -5.270 -6.655 1.00 0.20 H new ATOM 708 N GLU A 6 5.333 -0.304 -9.508 1.00 0.19 N ATOM 709 CA GLU A 6 5.411 1.144 -9.637 1.00 0.23 C ATOM 710 C GLU A 6 4.032 1.771 -9.522 1.00 0.21 C ATOM 711 O GLU A 6 3.797 2.657 -8.697 1.00 0.25 O ATOM 712 CB GLU A 6 6.009 1.543 -10.983 1.00 0.32 C ATOM 713 CG GLU A 6 6.042 3.047 -11.204 1.00 0.47 C ATOM 714 CD GLU A 6 6.041 3.418 -12.669 1.00 0.90 C ATOM 715 OE1 GLU A 6 7.127 3.456 -13.278 1.00 1.39 O ATOM 716 OE2 GLU A 6 4.945 3.681 -13.216 1.00 1.78 O ATOM 0 H GLU A 6 5.689 -0.820 -10.313 1.00 0.19 H new ATOM 0 HA GLU A 6 6.050 1.504 -8.831 1.00 0.23 H new ATOM 0 HB2 GLU A 6 7.023 1.150 -11.053 1.00 0.32 H new ATOM 0 HB3 GLU A 6 5.431 1.078 -11.782 1.00 0.32 H new ATOM 0 HG2 GLU A 6 5.179 3.501 -10.717 1.00 0.47 H new ATOM 0 HG3 GLU A 6 6.931 3.461 -10.728 1.00 0.47 H new ATOM 723 N LYS A 7 3.124 1.292 -10.362 1.00 0.18 N ATOM 724 CA LYS A 7 1.791 1.851 -10.443 1.00 0.20 C ATOM 725 C LYS A 7 1.024 1.665 -9.149 1.00 0.17 C ATOM 726 O LYS A 7 0.135 2.444 -8.854 1.00 0.19 O ATOM 727 CB LYS A 7 1.030 1.257 -11.628 1.00 0.26 C ATOM 728 CG LYS A 7 1.307 1.997 -12.925 1.00 0.41 C ATOM 729 CD LYS A 7 0.661 3.371 -12.908 1.00 0.90 C ATOM 730 CE LYS A 7 1.168 4.260 -14.030 1.00 0.83 C ATOM 731 NZ LYS A 7 2.527 4.802 -13.747 1.00 1.16 N ATOM 0 H LYS A 7 3.293 0.513 -10.998 1.00 0.18 H new ATOM 0 HA LYS A 7 1.890 2.924 -10.604 1.00 0.20 H new ATOM 0 HB2 LYS A 7 1.306 0.209 -11.745 1.00 0.26 H new ATOM 0 HB3 LYS A 7 -0.040 1.283 -11.419 1.00 0.26 H new ATOM 0 HG2 LYS A 7 2.383 2.097 -13.070 1.00 0.41 H new ATOM 0 HG3 LYS A 7 0.925 1.420 -13.767 1.00 0.41 H new ATOM 0 HD2 LYS A 7 -0.420 3.263 -12.994 1.00 0.90 H new ATOM 0 HD3 LYS A 7 0.858 3.851 -11.950 1.00 0.90 H new ATOM 0 HE2 LYS A 7 1.192 3.691 -14.960 1.00 0.83 H new ATOM 0 HE3 LYS A 7 0.473 5.086 -14.179 1.00 0.83 H new ATOM 0 HZ1 LYS A 7 2.944 5.169 -14.626 1.00 1.16 H new ATOM 0 HZ2 LYS A 7 2.456 5.571 -13.050 1.00 1.16 H new ATOM 0 HZ3 LYS A 7 3.131 4.045 -13.367 1.00 1.16 H new ATOM 745 N ALA A 8 1.387 0.658 -8.367 1.00 0.18 N ATOM 746 CA ALA A 8 0.759 0.445 -7.070 1.00 0.19 C ATOM 747 C ALA A 8 0.801 1.719 -6.230 1.00 0.17 C ATOM 748 O ALA A 8 -0.220 2.149 -5.705 1.00 0.21 O ATOM 749 CB ALA A 8 1.432 -0.705 -6.333 1.00 0.20 C ATOM 0 H ALA A 8 2.109 -0.021 -8.606 1.00 0.18 H new ATOM 0 HA ALA A 8 -0.286 0.183 -7.237 1.00 0.19 H new ATOM 0 HB1 ALA A 8 0.950 -0.849 -5.366 1.00 0.20 H new ATOM 0 HB2 ALA A 8 1.343 -1.617 -6.923 1.00 0.20 H new ATOM 0 HB3 ALA A 8 2.486 -0.473 -6.181 1.00 0.20 H new ATOM 755 N LEU A 9 1.974 2.338 -6.139 1.00 0.14 N ATOM 756 CA LEU A 9 2.121 3.573 -5.368 1.00 0.14 C ATOM 757 C LEU A 9 1.629 4.766 -6.177 1.00 0.13 C ATOM 758 O LEU A 9 1.019 5.690 -5.640 1.00 0.16 O ATOM 759 CB LEU A 9 3.582 3.809 -4.958 1.00 0.15 C ATOM 760 CG LEU A 9 4.265 2.664 -4.203 1.00 0.16 C ATOM 761 CD1 LEU A 9 3.318 2.034 -3.199 1.00 0.19 C ATOM 762 CD2 LEU A 9 4.797 1.618 -5.160 1.00 0.15 C ATOM 0 H LEU A 9 2.831 2.010 -6.584 1.00 0.14 H new ATOM 0 HA LEU A 9 1.519 3.467 -4.466 1.00 0.14 H new ATOM 0 HB2 LEU A 9 4.161 4.020 -5.857 1.00 0.15 H new ATOM 0 HB3 LEU A 9 3.623 4.703 -4.336 1.00 0.15 H new ATOM 0 HG LEU A 9 5.110 3.086 -3.659 1.00 0.16 H new ATOM 0 HD11 LEU A 9 3.827 1.224 -2.677 1.00 0.19 H new ATOM 0 HD12 LEU A 9 2.999 2.787 -2.478 1.00 0.19 H new ATOM 0 HD13 LEU A 9 2.446 1.638 -3.720 1.00 0.19 H new ATOM 0 HD21 LEU A 9 5.276 0.818 -4.595 1.00 0.15 H new ATOM 0 HD22 LEU A 9 3.974 1.207 -5.744 1.00 0.15 H new ATOM 0 HD23 LEU A 9 5.525 2.075 -5.831 1.00 0.15 H new ATOM 774 N ASP A 10 1.909 4.724 -7.473 1.00 0.14 N ATOM 775 CA ASP A 10 1.500 5.771 -8.412 1.00 0.15 C ATOM 776 C ASP A 10 -0.003 6.020 -8.323 1.00 0.15 C ATOM 777 O ASP A 10 -0.452 7.147 -8.121 1.00 0.18 O ATOM 778 CB ASP A 10 1.882 5.328 -9.834 1.00 0.19 C ATOM 779 CG ASP A 10 1.594 6.354 -10.919 1.00 0.48 C ATOM 780 OD1 ASP A 10 0.445 6.817 -11.033 1.00 1.19 O ATOM 781 OD2 ASP A 10 2.524 6.667 -11.696 1.00 1.18 O ATOM 0 H ASP A 10 2.428 3.962 -7.908 1.00 0.14 H new ATOM 0 HA ASP A 10 2.007 6.703 -8.162 1.00 0.15 H new ATOM 0 HB2 ASP A 10 2.945 5.089 -9.852 1.00 0.19 H new ATOM 0 HB3 ASP A 10 1.345 4.409 -10.070 1.00 0.19 H new ATOM 786 N VAL A 11 -0.771 4.950 -8.442 1.00 0.16 N ATOM 787 CA VAL A 11 -2.217 5.053 -8.485 1.00 0.18 C ATOM 788 C VAL A 11 -2.797 5.310 -7.101 1.00 0.18 C ATOM 789 O VAL A 11 -3.916 5.800 -6.974 1.00 0.23 O ATOM 790 CB VAL A 11 -2.847 3.786 -9.086 1.00 0.20 C ATOM 791 CG1 VAL A 11 -2.184 3.464 -10.417 1.00 0.23 C ATOM 792 CG2 VAL A 11 -2.746 2.613 -8.120 1.00 0.18 C ATOM 0 H VAL A 11 -0.414 3.997 -8.511 1.00 0.16 H new ATOM 0 HA VAL A 11 -2.458 5.902 -9.125 1.00 0.18 H new ATOM 0 HB VAL A 11 -3.907 3.969 -9.261 1.00 0.20 H new ATOM 0 HG11 VAL A 11 -2.634 2.565 -10.839 1.00 0.23 H new ATOM 0 HG12 VAL A 11 -2.325 4.298 -11.105 1.00 0.23 H new ATOM 0 HG13 VAL A 11 -1.118 3.298 -10.262 1.00 0.23 H new ATOM 0 HG21 VAL A 11 -3.199 1.730 -8.571 1.00 0.18 H new ATOM 0 HG22 VAL A 11 -1.697 2.411 -7.901 1.00 0.18 H new ATOM 0 HG23 VAL A 11 -3.269 2.857 -7.195 1.00 0.18 H new ATOM 802 N MET A 12 -2.031 4.987 -6.064 1.00 0.16 N ATOM 803 CA MET A 12 -2.449 5.251 -4.695 1.00 0.20 C ATOM 804 C MET A 12 -2.749 6.723 -4.501 1.00 0.24 C ATOM 805 O MET A 12 -3.731 7.075 -3.863 1.00 0.40 O ATOM 806 CB MET A 12 -1.376 4.818 -3.706 1.00 0.25 C ATOM 807 CG MET A 12 -1.463 3.358 -3.322 1.00 0.17 C ATOM 808 SD MET A 12 -0.016 2.810 -2.409 1.00 0.72 S ATOM 809 CE MET A 12 -0.550 1.196 -1.893 1.00 0.19 C ATOM 0 H MET A 12 -1.117 4.542 -6.147 1.00 0.16 H new ATOM 0 HA MET A 12 -3.355 4.674 -4.509 1.00 0.20 H new ATOM 0 HB2 MET A 12 -0.395 5.014 -4.138 1.00 0.25 H new ATOM 0 HB3 MET A 12 -1.456 5.428 -2.806 1.00 0.25 H new ATOM 0 HG2 MET A 12 -2.355 3.196 -2.717 1.00 0.17 H new ATOM 0 HG3 MET A 12 -1.573 2.753 -4.222 1.00 0.17 H new ATOM 0 HE1 MET A 12 0.307 0.627 -1.534 1.00 0.19 H new ATOM 0 HE2 MET A 12 -1.282 1.294 -1.091 1.00 0.19 H new ATOM 0 HE3 MET A 12 -1.003 0.676 -2.737 1.00 0.19 H new ATOM 819 N VAL A 13 -1.892 7.576 -5.043 1.00 0.17 N ATOM 820 CA VAL A 13 -2.103 9.010 -4.959 1.00 0.19 C ATOM 821 C VAL A 13 -2.876 9.540 -6.174 1.00 0.20 C ATOM 822 O VAL A 13 -3.620 10.518 -6.073 1.00 0.28 O ATOM 823 CB VAL A 13 -0.772 9.774 -4.789 1.00 0.18 C ATOM 824 CG1 VAL A 13 -0.133 9.430 -3.451 1.00 0.21 C ATOM 825 CG2 VAL A 13 0.187 9.483 -5.921 1.00 0.19 C ATOM 0 H VAL A 13 -1.047 7.299 -5.544 1.00 0.17 H new ATOM 0 HA VAL A 13 -2.708 9.187 -4.070 1.00 0.19 H new ATOM 0 HB VAL A 13 -0.996 10.840 -4.813 1.00 0.18 H new ATOM 0 HG11 VAL A 13 0.805 9.976 -3.345 1.00 0.21 H new ATOM 0 HG12 VAL A 13 -0.809 9.709 -2.643 1.00 0.21 H new ATOM 0 HG13 VAL A 13 0.064 8.359 -3.406 1.00 0.21 H new ATOM 0 HG21 VAL A 13 1.112 10.039 -5.766 1.00 0.19 H new ATOM 0 HG22 VAL A 13 0.405 8.415 -5.948 1.00 0.19 H new ATOM 0 HG23 VAL A 13 -0.264 9.785 -6.866 1.00 0.19 H new ATOM 835 N SER A 14 -2.719 8.879 -7.318 1.00 0.19 N ATOM 836 CA SER A 14 -3.400 9.293 -8.541 1.00 0.22 C ATOM 837 C SER A 14 -4.905 9.028 -8.440 1.00 0.24 C ATOM 838 O SER A 14 -5.717 9.956 -8.497 1.00 0.28 O ATOM 839 CB SER A 14 -2.807 8.563 -9.752 1.00 0.24 C ATOM 840 OG SER A 14 -3.349 9.054 -10.968 1.00 1.12 O ATOM 0 H SER A 14 -2.127 8.055 -7.423 1.00 0.19 H new ATOM 0 HA SER A 14 -3.251 10.365 -8.672 1.00 0.22 H new ATOM 0 HB2 SER A 14 -1.724 8.686 -9.759 1.00 0.24 H new ATOM 0 HB3 SER A 14 -3.006 7.495 -9.668 1.00 0.24 H new ATOM 0 HG SER A 14 -2.951 8.571 -11.722 1.00 1.12 H new ATOM 846 N THR A 15 -5.270 7.763 -8.265 1.00 0.25 N ATOM 847 CA THR A 15 -6.664 7.370 -8.119 1.00 0.28 C ATOM 848 C THR A 15 -7.253 7.993 -6.853 1.00 0.30 C ATOM 849 O THR A 15 -8.460 8.230 -6.761 1.00 0.33 O ATOM 850 CB THR A 15 -6.802 5.835 -8.086 1.00 0.28 C ATOM 851 OG1 THR A 15 -6.046 5.264 -9.164 1.00 0.34 O ATOM 852 CG2 THR A 15 -8.255 5.406 -8.216 1.00 0.26 C ATOM 0 H THR A 15 -4.611 6.986 -8.221 1.00 0.25 H new ATOM 0 HA THR A 15 -7.220 7.737 -8.982 1.00 0.28 H new ATOM 0 HB THR A 15 -6.423 5.482 -7.127 1.00 0.28 H new ATOM 0 HG1 THR A 15 -6.257 4.310 -9.242 1.00 0.34 H new ATOM 0 HG21 THR A 15 -8.317 4.318 -8.189 1.00 0.26 H new ATOM 0 HG22 THR A 15 -8.833 5.823 -7.391 1.00 0.26 H new ATOM 0 HG23 THR A 15 -8.658 5.769 -9.161 1.00 0.26 H new ATOM 860 N PHE A 16 -6.380 8.249 -5.879 1.00 0.31 N ATOM 861 CA PHE A 16 -6.743 8.981 -4.670 1.00 0.37 C ATOM 862 C PHE A 16 -7.495 10.258 -5.025 1.00 0.42 C ATOM 863 O PHE A 16 -8.669 10.401 -4.700 1.00 0.54 O ATOM 864 CB PHE A 16 -5.475 9.321 -3.883 1.00 0.45 C ATOM 865 CG PHE A 16 -5.697 10.077 -2.607 1.00 0.36 C ATOM 866 CD1 PHE A 16 -6.158 9.432 -1.477 1.00 1.24 C ATOM 867 CD2 PHE A 16 -5.415 11.430 -2.536 1.00 1.26 C ATOM 868 CE1 PHE A 16 -6.337 10.122 -0.294 1.00 1.39 C ATOM 869 CE2 PHE A 16 -5.595 12.126 -1.360 1.00 1.43 C ATOM 870 CZ PHE A 16 -6.056 11.470 -0.237 1.00 0.99 C ATOM 0 H PHE A 16 -5.404 7.955 -5.907 1.00 0.31 H new ATOM 0 HA PHE A 16 -7.395 8.357 -4.059 1.00 0.37 H new ATOM 0 HB2 PHE A 16 -4.952 8.394 -3.650 1.00 0.45 H new ATOM 0 HB3 PHE A 16 -4.816 9.907 -4.523 1.00 0.45 H new ATOM 0 HD1 PHE A 16 -6.381 8.376 -1.518 1.00 1.24 H new ATOM 0 HD2 PHE A 16 -5.050 11.946 -3.412 1.00 1.26 H new ATOM 0 HE1 PHE A 16 -6.696 9.606 0.584 1.00 1.39 H new ATOM 0 HE2 PHE A 16 -5.376 13.183 -1.318 1.00 1.43 H new ATOM 0 HZ PHE A 16 -6.197 12.013 0.686 1.00 0.99 H new ATOM 880 N HIS A 17 -6.820 11.170 -5.720 1.00 0.44 N ATOM 881 CA HIS A 17 -7.425 12.448 -6.104 1.00 0.54 C ATOM 882 C HIS A 17 -8.552 12.228 -7.100 1.00 0.47 C ATOM 883 O HIS A 17 -9.511 12.995 -7.150 1.00 0.52 O ATOM 884 CB HIS A 17 -6.388 13.387 -6.724 1.00 0.72 C ATOM 885 CG HIS A 17 -5.252 13.733 -5.818 1.00 1.09 C ATOM 886 ND1 HIS A 17 -5.421 14.279 -4.564 1.00 2.16 N ATOM 887 CD2 HIS A 17 -3.919 13.614 -5.997 1.00 1.23 C ATOM 888 CE1 HIS A 17 -4.240 14.482 -4.018 1.00 2.80 C ATOM 889 NE2 HIS A 17 -3.313 14.087 -4.867 1.00 2.27 N ATOM 0 H HIS A 17 -5.855 11.051 -6.030 1.00 0.44 H new ATOM 0 HA HIS A 17 -7.821 12.906 -5.198 1.00 0.54 H new ATOM 0 HB2 HIS A 17 -5.989 12.924 -7.627 1.00 0.72 H new ATOM 0 HB3 HIS A 17 -6.886 14.307 -7.031 1.00 0.72 H new ATOM 0 HD2 HIS A 17 -3.423 13.218 -6.871 1.00 1.23 H new ATOM 0 HE1 HIS A 17 -4.061 14.902 -3.039 1.00 2.80 H new ATOM 0 HE2 HIS A 17 -2.306 14.128 -4.707 1.00 2.27 H new ATOM 898 N LYS A 18 -8.420 11.157 -7.868 1.00 0.43 N ATOM 899 CA LYS A 18 -9.369 10.801 -8.914 1.00 0.46 C ATOM 900 C LYS A 18 -10.782 10.600 -8.354 1.00 0.44 C ATOM 901 O LYS A 18 -11.768 10.877 -9.036 1.00 0.62 O ATOM 902 CB LYS A 18 -8.866 9.526 -9.600 1.00 0.55 C ATOM 903 CG LYS A 18 -9.729 9.003 -10.735 1.00 0.77 C ATOM 904 CD LYS A 18 -9.144 7.708 -11.281 1.00 0.73 C ATOM 905 CE LYS A 18 -10.009 7.098 -12.368 1.00 1.41 C ATOM 906 NZ LYS A 18 -9.450 5.807 -12.852 1.00 1.69 N ATOM 0 H LYS A 18 -7.642 10.503 -7.782 1.00 0.43 H new ATOM 0 HA LYS A 18 -9.435 11.616 -9.635 1.00 0.46 H new ATOM 0 HB2 LYS A 18 -7.865 9.715 -9.987 1.00 0.55 H new ATOM 0 HB3 LYS A 18 -8.774 8.743 -8.847 1.00 0.55 H new ATOM 0 HG2 LYS A 18 -10.745 8.831 -10.380 1.00 0.77 H new ATOM 0 HG3 LYS A 18 -9.790 9.747 -11.529 1.00 0.77 H new ATOM 0 HD2 LYS A 18 -8.148 7.901 -11.679 1.00 0.73 H new ATOM 0 HD3 LYS A 18 -9.029 6.992 -10.467 1.00 0.73 H new ATOM 0 HE2 LYS A 18 -11.017 6.938 -11.985 1.00 1.41 H new ATOM 0 HE3 LYS A 18 -10.092 7.795 -13.202 1.00 1.41 H new ATOM 0 HZ1 LYS A 18 -10.048 5.435 -13.618 1.00 1.69 H new ATOM 0 HZ2 LYS A 18 -8.485 5.959 -13.209 1.00 1.69 H new ATOM 0 HZ3 LYS A 18 -9.426 5.124 -12.068 1.00 1.69 H new ATOM 920 N TYR A 19 -10.885 10.122 -7.114 1.00 0.37 N ATOM 921 CA TYR A 19 -12.197 9.873 -6.521 1.00 0.41 C ATOM 922 C TYR A 19 -12.420 10.626 -5.211 1.00 0.48 C ATOM 923 O TYR A 19 -13.507 10.564 -4.651 1.00 0.73 O ATOM 924 CB TYR A 19 -12.423 8.372 -6.317 1.00 0.43 C ATOM 925 CG TYR A 19 -12.666 7.641 -7.616 1.00 0.38 C ATOM 926 CD1 TYR A 19 -13.928 7.629 -8.195 1.00 1.18 C ATOM 927 CD2 TYR A 19 -11.635 6.989 -8.274 1.00 1.14 C ATOM 928 CE1 TYR A 19 -14.154 6.993 -9.398 1.00 1.21 C ATOM 929 CE2 TYR A 19 -11.854 6.343 -9.474 1.00 1.14 C ATOM 930 CZ TYR A 19 -13.112 6.351 -10.033 1.00 0.48 C ATOM 931 OH TYR A 19 -13.326 5.737 -11.244 1.00 0.59 O ATOM 0 H TYR A 19 -10.092 9.903 -6.511 1.00 0.37 H new ATOM 0 HA TYR A 19 -12.930 10.257 -7.231 1.00 0.41 H new ATOM 0 HB2 TYR A 19 -11.554 7.942 -5.819 1.00 0.43 H new ATOM 0 HB3 TYR A 19 -13.276 8.223 -5.655 1.00 0.43 H new ATOM 0 HD1 TYR A 19 -14.746 8.126 -7.695 1.00 1.18 H new ATOM 0 HD2 TYR A 19 -10.645 6.986 -7.841 1.00 1.14 H new ATOM 0 HE1 TYR A 19 -15.140 6.998 -9.839 1.00 1.21 H new ATOM 0 HE2 TYR A 19 -11.042 5.834 -9.972 1.00 1.14 H new ATOM 0 HH TYR A 19 -12.490 5.332 -11.558 1.00 0.59 H new ATOM 941 N SER A 20 -11.408 11.331 -4.718 1.00 0.38 N ATOM 942 CA SER A 20 -11.587 12.156 -3.525 1.00 0.45 C ATOM 943 C SER A 20 -12.014 13.562 -3.926 1.00 0.54 C ATOM 944 O SER A 20 -13.009 14.089 -3.427 1.00 0.68 O ATOM 945 CB SER A 20 -10.304 12.194 -2.688 1.00 0.47 C ATOM 946 OG SER A 20 -9.200 12.622 -3.467 1.00 0.52 O ATOM 0 H SER A 20 -10.469 11.350 -5.116 1.00 0.38 H new ATOM 0 HA SER A 20 -12.371 11.714 -2.910 1.00 0.45 H new ATOM 0 HB2 SER A 20 -10.438 12.867 -1.841 1.00 0.47 H new ATOM 0 HB3 SER A 20 -10.103 11.204 -2.280 1.00 0.47 H new ATOM 0 HG SER A 20 -8.851 11.866 -3.983 1.00 0.52 H new ATOM 952 N GLY A 21 -11.271 14.155 -4.859 1.00 0.54 N ATOM 953 CA GLY A 21 -11.619 15.463 -5.377 1.00 0.65 C ATOM 954 C GLY A 21 -12.739 15.367 -6.387 1.00 0.68 C ATOM 955 O GLY A 21 -12.670 15.941 -7.474 1.00 0.82 O ATOM 0 H GLY A 21 -10.429 13.747 -5.266 1.00 0.54 H new ATOM 0 HA2 GLY A 21 -11.920 16.114 -4.556 1.00 0.65 H new ATOM 0 HA3 GLY A 21 -10.744 15.918 -5.841 1.00 0.65 H new ATOM 1057 N LYS A 28 -9.675 13.676 0.799 1.00 0.67 N ATOM 1058 CA LYS A 28 -10.507 12.926 1.719 1.00 0.64 C ATOM 1059 C LYS A 28 -11.583 12.144 0.988 1.00 0.48 C ATOM 1060 O LYS A 28 -12.453 12.717 0.332 1.00 0.54 O ATOM 1061 CB LYS A 28 -11.158 13.878 2.727 1.00 0.87 C ATOM 1062 CG LYS A 28 -11.861 13.175 3.872 1.00 1.00 C ATOM 1063 CD LYS A 28 -10.861 12.554 4.827 1.00 1.04 C ATOM 1064 CE LYS A 28 -10.066 13.614 5.575 1.00 1.55 C ATOM 1065 NZ LYS A 28 -10.939 14.481 6.413 1.00 2.03 N ATOM 0 HA LYS A 28 -9.868 12.214 2.242 1.00 0.64 H new ATOM 0 HB2 LYS A 28 -10.393 14.538 3.134 1.00 0.87 H new ATOM 0 HB3 LYS A 28 -11.877 14.508 2.204 1.00 0.87 H new ATOM 0 HG2 LYS A 28 -12.488 13.886 4.409 1.00 1.00 H new ATOM 0 HG3 LYS A 28 -12.521 12.402 3.478 1.00 1.00 H new ATOM 0 HD2 LYS A 28 -11.385 11.920 5.542 1.00 1.04 H new ATOM 0 HD3 LYS A 28 -10.178 11.911 4.272 1.00 1.04 H new ATOM 0 HE2 LYS A 28 -9.322 13.130 6.208 1.00 1.55 H new ATOM 0 HE3 LYS A 28 -9.522 14.231 4.860 1.00 1.55 H new ATOM 0 HZ1 LYS A 28 -10.979 15.435 6.001 1.00 2.03 H new ATOM 0 HZ2 LYS A 28 -11.897 14.078 6.448 1.00 2.03 H new ATOM 0 HZ3 LYS A 28 -10.551 14.536 7.377 1.00 2.03 H new ATOM 1079 N LEU A 29 -11.532 10.835 1.131 1.00 0.36 N ATOM 1080 CA LEU A 29 -12.556 9.975 0.553 1.00 0.32 C ATOM 1081 C LEU A 29 -13.526 9.499 1.626 1.00 0.34 C ATOM 1082 O LEU A 29 -13.129 8.829 2.580 1.00 0.40 O ATOM 1083 CB LEU A 29 -11.955 8.754 -0.157 1.00 0.30 C ATOM 1084 CG LEU A 29 -11.120 9.050 -1.403 1.00 0.30 C ATOM 1085 CD1 LEU A 29 -9.663 9.276 -1.034 1.00 0.32 C ATOM 1086 CD2 LEU A 29 -11.249 7.918 -2.412 1.00 0.33 C ATOM 0 H LEU A 29 -10.798 10.341 1.639 1.00 0.36 H new ATOM 0 HA LEU A 29 -13.086 10.575 -0.187 1.00 0.32 H new ATOM 0 HB2 LEU A 29 -11.331 8.215 0.555 1.00 0.30 H new ATOM 0 HB3 LEU A 29 -12.768 8.085 -0.439 1.00 0.30 H new ATOM 0 HG LEU A 29 -11.500 9.964 -1.860 1.00 0.30 H new ATOM 0 HD11 LEU A 29 -9.087 9.485 -1.936 1.00 0.32 H new ATOM 0 HD12 LEU A 29 -9.588 10.122 -0.351 1.00 0.32 H new ATOM 0 HD13 LEU A 29 -9.268 8.383 -0.550 1.00 0.32 H new ATOM 0 HD21 LEU A 29 -10.648 8.145 -3.293 1.00 0.33 H new ATOM 0 HD22 LEU A 29 -10.898 6.989 -1.963 1.00 0.33 H new ATOM 0 HD23 LEU A 29 -12.293 7.808 -2.704 1.00 0.33 H new ATOM 1098 N ASN A 30 -14.791 9.865 1.481 1.00 0.35 N ATOM 1099 CA ASN A 30 -15.830 9.329 2.350 1.00 0.35 C ATOM 1100 C ASN A 30 -16.352 8.025 1.752 1.00 0.31 C ATOM 1101 O ASN A 30 -15.785 7.524 0.776 1.00 0.29 O ATOM 1102 CB ASN A 30 -16.982 10.334 2.545 1.00 0.41 C ATOM 1103 CG ASN A 30 -17.903 10.444 1.340 1.00 0.62 C ATOM 1104 OD1 ASN A 30 -18.866 9.691 1.208 1.00 1.20 O ATOM 1105 ND2 ASN A 30 -17.635 11.401 0.471 1.00 0.63 N ATOM 0 H ASN A 30 -15.122 10.525 0.777 1.00 0.35 H new ATOM 0 HA ASN A 30 -15.401 9.140 3.334 1.00 0.35 H new ATOM 0 HB2 ASN A 30 -17.569 10.038 3.415 1.00 0.41 H new ATOM 0 HB3 ASN A 30 -16.563 11.316 2.763 1.00 0.41 H new ATOM 0 HD21 ASN A 30 -18.236 11.534 -0.342 1.00 0.63 H new ATOM 0 HD22 ASN A 30 -16.827 12.007 0.613 1.00 0.63 H new ATOM 1112 N LYS A 31 -17.417 7.485 2.334 1.00 0.32 N ATOM 1113 CA LYS A 31 -18.019 6.235 1.862 1.00 0.31 C ATOM 1114 C LYS A 31 -18.231 6.247 0.349 1.00 0.30 C ATOM 1115 O LYS A 31 -17.818 5.329 -0.355 1.00 0.31 O ATOM 1116 CB LYS A 31 -19.370 6.004 2.534 1.00 0.35 C ATOM 1117 CG LYS A 31 -19.327 5.974 4.052 1.00 0.45 C ATOM 1118 CD LYS A 31 -20.715 5.740 4.631 1.00 0.56 C ATOM 1119 CE LYS A 31 -21.679 6.856 4.247 1.00 1.22 C ATOM 1120 NZ LYS A 31 -23.070 6.565 4.676 1.00 1.70 N ATOM 0 H LYS A 31 -17.888 7.895 3.141 1.00 0.32 H new ATOM 0 HA LYS A 31 -17.327 5.434 2.120 1.00 0.31 H new ATOM 0 HB2 LYS A 31 -20.056 6.790 2.219 1.00 0.35 H new ATOM 0 HB3 LYS A 31 -19.781 5.060 2.177 1.00 0.35 H new ATOM 0 HG2 LYS A 31 -18.652 5.185 4.385 1.00 0.45 H new ATOM 0 HG3 LYS A 31 -18.926 6.916 4.427 1.00 0.45 H new ATOM 0 HD2 LYS A 31 -21.102 4.785 4.275 1.00 0.56 H new ATOM 0 HD3 LYS A 31 -20.650 5.672 5.717 1.00 0.56 H new ATOM 0 HE2 LYS A 31 -21.349 7.791 4.699 1.00 1.22 H new ATOM 0 HE3 LYS A 31 -21.656 6.999 3.167 1.00 1.22 H new ATOM 0 HZ1 LYS A 31 -23.596 7.457 4.776 1.00 1.70 H new ATOM 0 HZ2 LYS A 31 -23.535 5.967 3.964 1.00 1.70 H new ATOM 0 HZ3 LYS A 31 -23.055 6.067 5.589 1.00 1.70 H new ATOM 1134 N SER A 32 -18.861 7.307 -0.142 1.00 0.32 N ATOM 1135 CA SER A 32 -19.242 7.397 -1.543 1.00 0.34 C ATOM 1136 C SER A 32 -18.015 7.520 -2.447 1.00 0.31 C ATOM 1137 O SER A 32 -17.997 6.984 -3.559 1.00 0.34 O ATOM 1138 CB SER A 32 -20.180 8.590 -1.748 1.00 0.43 C ATOM 1139 OG SER A 32 -20.746 8.583 -3.046 1.00 1.29 O ATOM 0 H SER A 32 -19.120 8.121 0.415 1.00 0.32 H new ATOM 0 HA SER A 32 -19.762 6.479 -1.817 1.00 0.34 H new ATOM 0 HB2 SER A 32 -20.975 8.563 -1.002 1.00 0.43 H new ATOM 0 HB3 SER A 32 -19.630 9.518 -1.594 1.00 0.43 H new ATOM 0 HG SER A 32 -21.341 9.355 -3.147 1.00 1.29 H new ATOM 1145 N GLU A 33 -16.978 8.188 -1.957 1.00 0.30 N ATOM 1146 CA GLU A 33 -15.782 8.415 -2.751 1.00 0.31 C ATOM 1147 C GLU A 33 -15.012 7.115 -2.881 1.00 0.26 C ATOM 1148 O GLU A 33 -14.556 6.748 -3.965 1.00 0.27 O ATOM 1149 CB GLU A 33 -14.901 9.488 -2.108 1.00 0.37 C ATOM 1150 CG GLU A 33 -15.620 10.805 -1.842 1.00 0.51 C ATOM 1151 CD GLU A 33 -16.280 11.391 -3.077 1.00 0.88 C ATOM 1152 OE1 GLU A 33 -17.341 10.879 -3.485 1.00 1.68 O ATOM 1153 OE2 GLU A 33 -15.745 12.368 -3.638 1.00 1.46 O ATOM 0 H GLU A 33 -16.943 8.580 -1.016 1.00 0.30 H new ATOM 0 HA GLU A 33 -16.075 8.766 -3.741 1.00 0.31 H new ATOM 0 HB2 GLU A 33 -14.508 9.104 -1.167 1.00 0.37 H new ATOM 0 HB3 GLU A 33 -14.046 9.678 -2.757 1.00 0.37 H new ATOM 0 HG2 GLU A 33 -16.377 10.648 -1.074 1.00 0.51 H new ATOM 0 HG3 GLU A 33 -14.906 11.526 -1.444 1.00 0.51 H new ATOM 1160 N LEU A 34 -14.892 6.412 -1.764 1.00 0.23 N ATOM 1161 CA LEU A 34 -14.252 5.110 -1.746 1.00 0.20 C ATOM 1162 C LEU A 34 -15.056 4.104 -2.549 1.00 0.20 C ATOM 1163 O LEU A 34 -14.491 3.241 -3.212 1.00 0.23 O ATOM 1164 CB LEU A 34 -14.085 4.616 -0.311 1.00 0.18 C ATOM 1165 CG LEU A 34 -12.825 5.104 0.390 1.00 0.18 C ATOM 1166 CD1 LEU A 34 -12.886 4.774 1.868 1.00 0.21 C ATOM 1167 CD2 LEU A 34 -11.606 4.471 -0.253 1.00 0.18 C ATOM 0 H LEU A 34 -15.232 6.726 -0.855 1.00 0.23 H new ATOM 0 HA LEU A 34 -13.267 5.212 -2.201 1.00 0.20 H new ATOM 0 HB2 LEU A 34 -14.952 4.931 0.270 1.00 0.18 H new ATOM 0 HB3 LEU A 34 -14.083 3.526 -0.315 1.00 0.18 H new ATOM 0 HG LEU A 34 -12.752 6.187 0.287 1.00 0.18 H new ATOM 0 HD11 LEU A 34 -11.979 5.128 2.358 1.00 0.21 H new ATOM 0 HD12 LEU A 34 -13.753 5.261 2.314 1.00 0.21 H new ATOM 0 HD13 LEU A 34 -12.970 3.695 1.997 1.00 0.21 H new ATOM 0 HD21 LEU A 34 -10.705 4.822 0.251 1.00 0.18 H new ATOM 0 HD22 LEU A 34 -11.671 3.386 -0.166 1.00 0.18 H new ATOM 0 HD23 LEU A 34 -11.564 4.749 -1.306 1.00 0.18 H new ATOM 1179 N LYS A 35 -16.372 4.220 -2.500 1.00 0.23 N ATOM 1180 CA LYS A 35 -17.223 3.302 -3.229 1.00 0.29 C ATOM 1181 C LYS A 35 -16.954 3.396 -4.718 1.00 0.25 C ATOM 1182 O LYS A 35 -16.714 2.383 -5.361 1.00 0.27 O ATOM 1183 CB LYS A 35 -18.701 3.553 -2.924 1.00 0.42 C ATOM 1184 CG LYS A 35 -19.618 2.458 -3.445 1.00 0.60 C ATOM 1185 CD LYS A 35 -21.009 2.554 -2.842 1.00 0.71 C ATOM 1186 CE LYS A 35 -21.711 3.831 -3.254 1.00 0.53 C ATOM 1187 NZ LYS A 35 -23.036 3.975 -2.598 1.00 0.89 N ATOM 0 H LYS A 35 -16.869 4.934 -1.968 1.00 0.23 H new ATOM 0 HA LYS A 35 -16.986 2.290 -2.900 1.00 0.29 H new ATOM 0 HB2 LYS A 35 -18.832 3.644 -1.846 1.00 0.42 H new ATOM 0 HB3 LYS A 35 -18.999 4.505 -3.363 1.00 0.42 H new ATOM 0 HG2 LYS A 35 -19.687 2.527 -4.531 1.00 0.60 H new ATOM 0 HG3 LYS A 35 -19.188 1.483 -3.214 1.00 0.60 H new ATOM 0 HD2 LYS A 35 -21.602 1.695 -3.156 1.00 0.71 H new ATOM 0 HD3 LYS A 35 -20.938 2.512 -1.755 1.00 0.71 H new ATOM 0 HE2 LYS A 35 -21.086 4.687 -2.999 1.00 0.53 H new ATOM 0 HE3 LYS A 35 -21.839 3.841 -4.336 1.00 0.53 H new ATOM 0 HZ1 LYS A 35 -23.330 4.972 -2.624 1.00 0.89 H new ATOM 0 HZ2 LYS A 35 -23.737 3.394 -3.101 1.00 0.89 H new ATOM 0 HZ3 LYS A 35 -22.970 3.659 -1.609 1.00 0.89 H new ATOM 1201 N GLU A 36 -16.954 4.603 -5.264 1.00 0.25 N ATOM 1202 CA GLU A 36 -16.636 4.777 -6.674 1.00 0.28 C ATOM 1203 C GLU A 36 -15.203 4.357 -6.967 1.00 0.28 C ATOM 1204 O GLU A 36 -14.908 3.857 -8.047 1.00 0.34 O ATOM 1205 CB GLU A 36 -16.885 6.211 -7.125 1.00 0.32 C ATOM 1206 CG GLU A 36 -18.305 6.429 -7.601 1.00 0.66 C ATOM 1207 CD GLU A 36 -18.610 7.872 -7.918 1.00 0.77 C ATOM 1208 OE1 GLU A 36 -18.387 8.294 -9.072 1.00 1.28 O ATOM 1209 OE2 GLU A 36 -19.085 8.591 -7.020 1.00 1.49 O ATOM 0 H GLU A 36 -17.167 5.465 -4.762 1.00 0.25 H new ATOM 0 HA GLU A 36 -17.301 4.129 -7.244 1.00 0.28 H new ATOM 0 HB2 GLU A 36 -16.673 6.890 -6.299 1.00 0.32 H new ATOM 0 HB3 GLU A 36 -16.193 6.461 -7.929 1.00 0.32 H new ATOM 0 HG2 GLU A 36 -18.480 5.823 -8.490 1.00 0.66 H new ATOM 0 HG3 GLU A 36 -18.996 6.078 -6.835 1.00 0.66 H new ATOM 1216 N LEU A 37 -14.324 4.541 -5.995 1.00 0.25 N ATOM 1217 CA LEU A 37 -12.950 4.073 -6.110 1.00 0.27 C ATOM 1218 C LEU A 37 -12.932 2.567 -6.368 1.00 0.23 C ATOM 1219 O LEU A 37 -12.404 2.094 -7.378 1.00 0.24 O ATOM 1220 CB LEU A 37 -12.192 4.370 -4.817 1.00 0.32 C ATOM 1221 CG LEU A 37 -10.675 4.281 -4.914 1.00 0.40 C ATOM 1222 CD1 LEU A 37 -10.097 5.636 -5.276 1.00 0.33 C ATOM 1223 CD2 LEU A 37 -10.084 3.767 -3.612 1.00 0.74 C ATOM 0 H LEU A 37 -14.537 5.012 -5.116 1.00 0.25 H new ATOM 0 HA LEU A 37 -12.471 4.590 -6.942 1.00 0.27 H new ATOM 0 HB2 LEU A 37 -12.459 5.372 -4.481 1.00 0.32 H new ATOM 0 HB3 LEU A 37 -12.531 3.675 -4.049 1.00 0.32 H new ATOM 0 HG LEU A 37 -10.414 3.573 -5.701 1.00 0.40 H new ATOM 0 HD11 LEU A 37 -9.012 5.562 -5.343 1.00 0.33 H new ATOM 0 HD12 LEU A 37 -10.499 5.958 -6.237 1.00 0.33 H new ATOM 0 HD13 LEU A 37 -10.365 6.362 -4.509 1.00 0.33 H new ATOM 0 HD21 LEU A 37 -8.999 3.711 -3.702 1.00 0.74 H new ATOM 0 HD22 LEU A 37 -10.346 4.446 -2.800 1.00 0.74 H new ATOM 0 HD23 LEU A 37 -10.482 2.775 -3.398 1.00 0.74 H new ATOM 1235 N LEU A 38 -13.548 1.827 -5.455 1.00 0.20 N ATOM 1236 CA LEU A 38 -13.551 0.374 -5.515 1.00 0.20 C ATOM 1237 C LEU A 38 -14.454 -0.161 -6.627 1.00 0.22 C ATOM 1238 O LEU A 38 -14.109 -1.125 -7.287 1.00 0.24 O ATOM 1239 CB LEU A 38 -13.959 -0.220 -4.164 1.00 0.19 C ATOM 1240 CG LEU A 38 -12.872 -0.193 -3.084 1.00 0.18 C ATOM 1241 CD1 LEU A 38 -13.196 0.825 -2.008 1.00 0.19 C ATOM 1242 CD2 LEU A 38 -12.695 -1.573 -2.472 1.00 0.21 C ATOM 0 H LEU A 38 -14.055 2.214 -4.659 1.00 0.20 H new ATOM 0 HA LEU A 38 -12.533 0.063 -5.749 1.00 0.20 H new ATOM 0 HB2 LEU A 38 -14.829 0.323 -3.795 1.00 0.19 H new ATOM 0 HB3 LEU A 38 -14.270 -1.253 -4.318 1.00 0.19 H new ATOM 0 HG LEU A 38 -11.936 0.102 -3.557 1.00 0.18 H new ATOM 0 HD11 LEU A 38 -12.408 0.822 -1.255 1.00 0.19 H new ATOM 0 HD12 LEU A 38 -13.267 1.817 -2.455 1.00 0.19 H new ATOM 0 HD13 LEU A 38 -14.146 0.569 -1.539 1.00 0.19 H new ATOM 0 HD21 LEU A 38 -11.919 -1.535 -1.707 1.00 0.21 H new ATOM 0 HD22 LEU A 38 -13.634 -1.894 -2.021 1.00 0.21 H new ATOM 0 HD23 LEU A 38 -12.405 -2.281 -3.248 1.00 0.21 H new ATOM 1254 N THR A 39 -15.594 0.468 -6.849 1.00 0.23 N ATOM 1255 CA THR A 39 -16.544 -0.022 -7.852 1.00 0.26 C ATOM 1256 C THR A 39 -15.961 0.055 -9.257 1.00 0.27 C ATOM 1257 O THR A 39 -16.299 -0.749 -10.130 1.00 0.30 O ATOM 1258 CB THR A 39 -17.877 0.758 -7.828 1.00 0.29 C ATOM 1259 OG1 THR A 39 -17.627 2.165 -7.918 1.00 0.33 O ATOM 1260 CG2 THR A 39 -18.666 0.465 -6.563 1.00 0.30 C ATOM 0 H THR A 39 -15.890 1.312 -6.358 1.00 0.23 H new ATOM 0 HA THR A 39 -16.740 -1.062 -7.592 1.00 0.26 H new ATOM 0 HB THR A 39 -18.466 0.434 -8.686 1.00 0.29 H new ATOM 0 HG1 THR A 39 -17.171 2.469 -7.106 1.00 0.33 H new ATOM 0 HG21 THR A 39 -19.599 1.029 -6.577 1.00 0.30 H new ATOM 0 HG22 THR A 39 -18.888 -0.601 -6.511 1.00 0.30 H new ATOM 0 HG23 THR A 39 -18.079 0.756 -5.692 1.00 0.30 H new ATOM 1268 N ARG A 40 -15.090 1.025 -9.472 1.00 0.27 N ATOM 1269 CA ARG A 40 -14.520 1.256 -10.787 1.00 0.30 C ATOM 1270 C ARG A 40 -13.226 0.474 -10.991 1.00 0.29 C ATOM 1271 O ARG A 40 -13.066 -0.214 -11.998 1.00 0.33 O ATOM 1272 CB ARG A 40 -14.281 2.750 -10.990 1.00 0.34 C ATOM 1273 CG ARG A 40 -15.562 3.571 -10.958 1.00 0.36 C ATOM 1274 CD ARG A 40 -16.450 3.273 -12.150 1.00 0.47 C ATOM 1275 NE ARG A 40 -15.935 3.885 -13.376 1.00 0.67 N ATOM 1276 CZ ARG A 40 -15.857 3.264 -14.550 1.00 0.90 C ATOM 1277 NH1 ARG A 40 -16.203 1.990 -14.663 1.00 1.24 N ATOM 1278 NH2 ARG A 40 -15.419 3.926 -15.614 1.00 1.09 N ATOM 0 H ARG A 40 -14.761 1.667 -8.751 1.00 0.27 H new ATOM 0 HA ARG A 40 -15.232 0.899 -11.531 1.00 0.30 H new ATOM 0 HB2 ARG A 40 -13.605 3.112 -10.215 1.00 0.34 H new ATOM 0 HB3 ARG A 40 -13.781 2.905 -11.946 1.00 0.34 H new ATOM 0 HG2 ARG A 40 -16.106 3.360 -10.037 1.00 0.36 H new ATOM 0 HG3 ARG A 40 -15.314 4.632 -10.946 1.00 0.36 H new ATOM 0 HD2 ARG A 40 -16.526 2.194 -12.286 1.00 0.47 H new ATOM 0 HD3 ARG A 40 -17.457 3.642 -11.955 1.00 0.47 H new ATOM 0 HE ARG A 40 -15.615 4.852 -13.327 1.00 0.67 H new ATOM 0 HH11 ARG A 40 -16.533 1.477 -13.846 1.00 1.24 H new ATOM 0 HH12 ARG A 40 -16.140 1.523 -15.567 1.00 1.24 H new ATOM 0 HH21 ARG A 40 -15.145 4.905 -15.528 1.00 1.09 H new ATOM 0 HH22 ARG A 40 -15.357 3.456 -16.517 1.00 1.09 H new ATOM 1292 N GLU A 41 -12.304 0.575 -10.041 1.00 0.29 N ATOM 1293 CA GLU A 41 -11.001 -0.057 -10.200 1.00 0.32 C ATOM 1294 C GLU A 41 -10.878 -1.380 -9.448 1.00 0.35 C ATOM 1295 O GLU A 41 -10.090 -2.237 -9.837 1.00 0.46 O ATOM 1296 CB GLU A 41 -9.885 0.876 -9.751 1.00 0.38 C ATOM 1297 CG GLU A 41 -9.034 1.408 -10.892 1.00 0.47 C ATOM 1298 CD GLU A 41 -9.589 2.665 -11.530 1.00 0.83 C ATOM 1299 OE1 GLU A 41 -10.438 2.555 -12.434 1.00 1.54 O ATOM 1300 OE2 GLU A 41 -9.156 3.773 -11.146 1.00 1.60 O ATOM 0 H GLU A 41 -12.431 1.081 -9.165 1.00 0.29 H new ATOM 0 HA GLU A 41 -10.905 -0.271 -11.265 1.00 0.32 H new ATOM 0 HB2 GLU A 41 -10.322 1.717 -9.213 1.00 0.38 H new ATOM 0 HB3 GLU A 41 -9.243 0.347 -9.047 1.00 0.38 H new ATOM 0 HG2 GLU A 41 -8.030 1.613 -10.520 1.00 0.47 H new ATOM 0 HG3 GLU A 41 -8.940 0.635 -11.655 1.00 0.47 H new ATOM 1307 N LEU A 42 -11.649 -1.566 -8.385 1.00 0.28 N ATOM 1308 CA LEU A 42 -11.506 -2.770 -7.561 1.00 0.29 C ATOM 1309 C LEU A 42 -12.795 -3.611 -7.511 1.00 0.28 C ATOM 1310 O LEU A 42 -13.182 -4.054 -6.432 1.00 0.26 O ATOM 1311 CB LEU A 42 -11.117 -2.396 -6.118 1.00 0.27 C ATOM 1312 CG LEU A 42 -9.885 -1.505 -5.947 1.00 0.27 C ATOM 1313 CD1 LEU A 42 -10.260 -0.023 -5.982 1.00 0.27 C ATOM 1314 CD2 LEU A 42 -9.192 -1.847 -4.638 1.00 0.31 C ATOM 0 H LEU A 42 -12.369 -0.915 -8.073 1.00 0.28 H new ATOM 0 HA LEU A 42 -10.722 -3.365 -8.029 1.00 0.29 H new ATOM 0 HB2 LEU A 42 -11.967 -1.894 -5.656 1.00 0.27 H new ATOM 0 HB3 LEU A 42 -10.950 -3.318 -5.561 1.00 0.27 H new ATOM 0 HG LEU A 42 -9.205 -1.690 -6.778 1.00 0.27 H new ATOM 0 HD11 LEU A 42 -9.362 0.583 -5.858 1.00 0.27 H new ATOM 0 HD12 LEU A 42 -10.727 0.212 -6.939 1.00 0.27 H new ATOM 0 HD13 LEU A 42 -10.959 0.195 -5.174 1.00 0.27 H new ATOM 0 HD21 LEU A 42 -8.314 -1.213 -4.515 1.00 0.31 H new ATOM 0 HD22 LEU A 42 -9.879 -1.681 -3.808 1.00 0.31 H new ATOM 0 HD23 LEU A 42 -8.885 -2.893 -4.651 1.00 0.31 H new ATOM 1326 N PRO A 43 -13.469 -3.886 -8.651 1.00 0.32 N ATOM 1327 CA PRO A 43 -14.738 -4.624 -8.637 1.00 0.34 C ATOM 1328 C PRO A 43 -14.563 -6.037 -8.100 1.00 0.35 C ATOM 1329 O PRO A 43 -15.426 -6.556 -7.394 1.00 0.38 O ATOM 1330 CB PRO A 43 -15.169 -4.657 -10.110 1.00 0.43 C ATOM 1331 CG PRO A 43 -14.364 -3.597 -10.776 1.00 0.52 C ATOM 1332 CD PRO A 43 -13.069 -3.539 -10.024 1.00 0.36 C ATOM 0 HA PRO A 43 -15.475 -4.152 -7.987 1.00 0.34 H new ATOM 0 HB2 PRO A 43 -14.978 -5.634 -10.554 1.00 0.43 H new ATOM 0 HB3 PRO A 43 -16.237 -4.463 -10.212 1.00 0.43 H new ATOM 0 HG2 PRO A 43 -14.196 -3.834 -11.827 1.00 0.52 H new ATOM 0 HG3 PRO A 43 -14.879 -2.637 -10.744 1.00 0.52 H new ATOM 0 HD2 PRO A 43 -12.339 -4.244 -10.422 1.00 0.36 H new ATOM 0 HD3 PRO A 43 -12.617 -2.549 -10.075 1.00 0.36 H new ATOM 1340 N SER A 44 -13.428 -6.647 -8.419 1.00 0.37 N ATOM 1341 CA SER A 44 -13.118 -7.984 -7.942 1.00 0.41 C ATOM 1342 C SER A 44 -12.939 -7.989 -6.425 1.00 0.37 C ATOM 1343 O SER A 44 -13.173 -8.999 -5.770 1.00 0.42 O ATOM 1344 CB SER A 44 -11.856 -8.501 -8.631 1.00 0.48 C ATOM 1345 OG SER A 44 -11.996 -8.436 -10.040 1.00 1.09 O ATOM 0 H SER A 44 -12.706 -6.233 -9.009 1.00 0.37 H new ATOM 0 HA SER A 44 -13.950 -8.644 -8.186 1.00 0.41 H new ATOM 0 HB2 SER A 44 -10.996 -7.910 -8.318 1.00 0.48 H new ATOM 0 HB3 SER A 44 -11.664 -9.530 -8.326 1.00 0.48 H new ATOM 0 HG SER A 44 -11.179 -8.769 -10.466 1.00 1.09 H new ATOM 1351 N PHE A 45 -12.558 -6.837 -5.874 1.00 0.33 N ATOM 1352 CA PHE A 45 -12.353 -6.698 -4.435 1.00 0.34 C ATOM 1353 C PHE A 45 -13.658 -6.299 -3.758 1.00 0.36 C ATOM 1354 O PHE A 45 -13.675 -5.896 -2.598 1.00 0.40 O ATOM 1355 CB PHE A 45 -11.258 -5.667 -4.141 1.00 0.33 C ATOM 1356 CG PHE A 45 -9.938 -6.010 -4.774 1.00 0.35 C ATOM 1357 CD1 PHE A 45 -9.029 -6.814 -4.109 1.00 1.31 C ATOM 1358 CD2 PHE A 45 -9.610 -5.535 -6.035 1.00 1.17 C ATOM 1359 CE1 PHE A 45 -7.816 -7.139 -4.687 1.00 1.36 C ATOM 1360 CE2 PHE A 45 -8.399 -5.855 -6.618 1.00 1.15 C ATOM 1361 CZ PHE A 45 -7.501 -6.658 -5.943 1.00 0.46 C ATOM 0 H PHE A 45 -12.385 -5.984 -6.406 1.00 0.33 H new ATOM 0 HA PHE A 45 -12.030 -7.659 -4.035 1.00 0.34 H new ATOM 0 HB2 PHE A 45 -11.582 -4.690 -4.499 1.00 0.33 H new ATOM 0 HB3 PHE A 45 -11.126 -5.584 -3.062 1.00 0.33 H new ATOM 0 HD1 PHE A 45 -9.270 -7.192 -3.127 1.00 1.31 H new ATOM 0 HD2 PHE A 45 -10.309 -4.908 -6.568 1.00 1.17 H new ATOM 0 HE1 PHE A 45 -7.116 -7.768 -4.157 1.00 1.36 H new ATOM 0 HE2 PHE A 45 -8.155 -5.478 -7.600 1.00 1.15 H new ATOM 0 HZ PHE A 45 -6.554 -6.910 -6.396 1.00 0.46 H new ATOM 1371 N LEU A 46 -14.741 -6.381 -4.517 1.00 0.36 N ATOM 1372 CA LEU A 46 -16.077 -6.192 -3.976 1.00 0.40 C ATOM 1373 C LEU A 46 -16.897 -7.449 -4.224 1.00 0.55 C ATOM 1374 O LEU A 46 -17.644 -7.906 -3.370 1.00 0.70 O ATOM 1375 CB LEU A 46 -16.739 -4.974 -4.621 1.00 0.35 C ATOM 1376 CG LEU A 46 -15.901 -3.694 -4.568 1.00 0.32 C ATOM 1377 CD1 LEU A 46 -16.589 -2.576 -5.328 1.00 0.34 C ATOM 1378 CD2 LEU A 46 -15.645 -3.282 -3.124 1.00 0.30 C ATOM 0 H LEU A 46 -14.718 -6.579 -5.517 1.00 0.36 H new ATOM 0 HA LEU A 46 -16.018 -6.013 -2.902 1.00 0.40 H new ATOM 0 HB2 LEU A 46 -16.960 -5.206 -5.663 1.00 0.35 H new ATOM 0 HB3 LEU A 46 -17.693 -4.790 -4.126 1.00 0.35 H new ATOM 0 HG LEU A 46 -14.940 -3.892 -5.044 1.00 0.32 H new ATOM 0 HD11 LEU A 46 -15.979 -1.674 -5.280 1.00 0.34 H new ATOM 0 HD12 LEU A 46 -16.719 -2.870 -6.369 1.00 0.34 H new ATOM 0 HD13 LEU A 46 -17.564 -2.379 -4.882 1.00 0.34 H new ATOM 0 HD21 LEU A 46 -15.048 -2.370 -3.106 1.00 0.30 H new ATOM 0 HD22 LEU A 46 -16.596 -3.103 -2.623 1.00 0.30 H new ATOM 0 HD23 LEU A 46 -15.108 -4.078 -2.608 1.00 0.30 H new ATOM 1390 N GLY A 47 -16.744 -7.999 -5.411 1.00 0.64 N ATOM 1391 CA GLY A 47 -17.271 -9.313 -5.715 1.00 0.82 C ATOM 1392 C GLY A 47 -18.608 -9.309 -6.424 1.00 0.87 C ATOM 1393 O GLY A 47 -18.813 -10.112 -7.330 1.00 1.23 O ATOM 0 H GLY A 47 -16.255 -7.552 -6.186 1.00 0.64 H new ATOM 0 HA2 GLY A 47 -16.548 -9.845 -6.334 1.00 0.82 H new ATOM 0 HA3 GLY A 47 -17.369 -9.874 -4.786 1.00 0.82 H new ATOM 1397 N LYS A 48 -19.482 -8.369 -6.072 1.00 0.79 N ATOM 1398 CA LYS A 48 -20.857 -8.348 -6.590 1.00 0.95 C ATOM 1399 C LYS A 48 -21.615 -7.120 -6.116 1.00 0.73 C ATOM 1400 O LYS A 48 -21.832 -6.172 -6.867 1.00 0.97 O ATOM 1401 CB LYS A 48 -21.653 -9.593 -6.146 1.00 1.43 C ATOM 1402 CG LYS A 48 -21.544 -10.797 -7.070 1.00 2.17 C ATOM 1403 CD LYS A 48 -21.981 -10.462 -8.486 1.00 2.32 C ATOM 1404 CE LYS A 48 -21.827 -11.660 -9.406 1.00 2.88 C ATOM 1405 NZ LYS A 48 -22.104 -11.316 -10.827 1.00 3.51 N ATOM 0 H LYS A 48 -19.266 -7.608 -5.428 1.00 0.79 H new ATOM 0 HA LYS A 48 -20.767 -8.333 -7.676 1.00 0.95 H new ATOM 0 HB2 LYS A 48 -21.313 -9.886 -5.153 1.00 1.43 H new ATOM 0 HB3 LYS A 48 -22.704 -9.319 -6.056 1.00 1.43 H new ATOM 0 HG2 LYS A 48 -20.514 -11.154 -7.082 1.00 2.17 H new ATOM 0 HG3 LYS A 48 -22.158 -11.610 -6.682 1.00 2.17 H new ATOM 0 HD2 LYS A 48 -23.021 -10.135 -8.481 1.00 2.32 H new ATOM 0 HD3 LYS A 48 -21.388 -9.630 -8.865 1.00 2.32 H new ATOM 0 HE2 LYS A 48 -20.814 -12.054 -9.320 1.00 2.88 H new ATOM 0 HE3 LYS A 48 -22.505 -12.451 -9.086 1.00 2.88 H new ATOM 0 HZ1 LYS A 48 -21.987 -12.163 -11.418 1.00 3.51 H new ATOM 0 HZ2 LYS A 48 -23.079 -10.964 -10.915 1.00 3.51 H new ATOM 0 HZ3 LYS A 48 -21.440 -10.580 -11.142 1.00 3.51 H new ATOM 1419 N ARG A 49 -22.003 -7.153 -4.854 1.00 0.73 N ATOM 1420 CA ARG A 49 -22.950 -6.179 -4.313 1.00 0.70 C ATOM 1421 C ARG A 49 -22.299 -5.244 -3.301 1.00 0.61 C ATOM 1422 O ARG A 49 -22.227 -5.549 -2.111 1.00 0.75 O ATOM 1423 CB ARG A 49 -24.123 -6.904 -3.650 1.00 0.97 C ATOM 1424 CG ARG A 49 -23.689 -7.976 -2.662 1.00 1.10 C ATOM 1425 CD ARG A 49 -24.627 -8.056 -1.471 1.00 1.54 C ATOM 1426 NE ARG A 49 -24.276 -9.151 -0.570 1.00 2.02 N ATOM 1427 CZ ARG A 49 -24.019 -8.998 0.729 1.00 2.68 C ATOM 1428 NH1 ARG A 49 -23.966 -7.783 1.263 1.00 3.06 N ATOM 1429 NH2 ARG A 49 -23.785 -10.061 1.487 1.00 3.24 N ATOM 0 H ARG A 49 -21.679 -7.844 -4.178 1.00 0.73 H new ATOM 0 HA ARG A 49 -23.304 -5.575 -5.148 1.00 0.70 H new ATOM 0 HB2 ARG A 49 -24.746 -6.174 -3.133 1.00 0.97 H new ATOM 0 HB3 ARG A 49 -24.742 -7.361 -4.422 1.00 0.97 H new ATOM 0 HG2 ARG A 49 -23.656 -8.942 -3.165 1.00 1.10 H new ATOM 0 HG3 ARG A 49 -22.678 -7.763 -2.315 1.00 1.10 H new ATOM 0 HD2 ARG A 49 -24.599 -7.114 -0.924 1.00 1.54 H new ATOM 0 HD3 ARG A 49 -25.650 -8.190 -1.823 1.00 1.54 H new ATOM 0 HE ARG A 49 -24.224 -10.092 -0.960 1.00 2.02 H new ATOM 0 HH11 ARG A 49 -24.122 -6.962 0.679 1.00 3.06 H new ATOM 0 HH12 ARG A 49 -23.769 -7.671 2.258 1.00 3.06 H new ATOM 0 HH21 ARG A 49 -23.802 -10.994 1.076 1.00 3.24 H new ATOM 0 HH22 ARG A 49 -23.588 -9.945 2.481 1.00 3.24 H new ATOM 1443 N THR A 50 -21.834 -4.102 -3.753 1.00 0.55 N ATOM 1444 CA THR A 50 -21.185 -3.184 -2.846 1.00 0.50 C ATOM 1445 C THR A 50 -22.018 -1.961 -2.557 1.00 0.50 C ATOM 1446 O THR A 50 -22.074 -1.007 -3.333 1.00 0.56 O ATOM 1447 CB THR A 50 -19.806 -2.779 -3.336 1.00 0.54 C ATOM 1448 OG1 THR A 50 -19.655 -3.126 -4.721 1.00 0.91 O ATOM 1449 CG2 THR A 50 -18.767 -3.475 -2.485 1.00 0.51 C ATOM 0 H THR A 50 -21.891 -3.791 -4.723 1.00 0.55 H new ATOM 0 HA THR A 50 -21.069 -3.730 -1.910 1.00 0.50 H new ATOM 0 HB THR A 50 -19.677 -1.700 -3.248 1.00 0.54 H new ATOM 0 HG1 THR A 50 -19.655 -2.310 -5.264 1.00 0.91 H new ATOM 0 HG21 THR A 50 -17.770 -3.194 -2.825 1.00 0.51 H new ATOM 0 HG22 THR A 50 -18.892 -3.179 -1.443 1.00 0.51 H new ATOM 0 HG23 THR A 50 -18.889 -4.555 -2.572 1.00 0.51 H new ATOM 1457 N ASP A 51 -22.667 -2.022 -1.422 1.00 0.49 N ATOM 1458 CA ASP A 51 -23.454 -0.918 -0.914 1.00 0.51 C ATOM 1459 C ASP A 51 -22.785 -0.345 0.321 1.00 0.44 C ATOM 1460 O ASP A 51 -21.687 -0.775 0.691 1.00 0.43 O ATOM 1461 CB ASP A 51 -24.872 -1.378 -0.573 1.00 0.60 C ATOM 1462 CG ASP A 51 -25.733 -1.590 -1.800 1.00 1.15 C ATOM 1463 OD1 ASP A 51 -25.561 -2.617 -2.488 1.00 1.72 O ATOM 1464 OD2 ASP A 51 -26.603 -0.735 -2.072 1.00 1.94 O ATOM 0 H ASP A 51 -22.667 -2.843 -0.817 1.00 0.49 H new ATOM 0 HA ASP A 51 -23.518 -0.149 -1.684 1.00 0.51 H new ATOM 0 HB2 ASP A 51 -24.821 -2.308 -0.006 1.00 0.60 H new ATOM 0 HB3 ASP A 51 -25.344 -0.637 0.072 1.00 0.60 H new ATOM 1469 N GLU A 52 -23.454 0.594 0.968 1.00 0.47 N ATOM 1470 CA GLU A 52 -22.938 1.215 2.180 1.00 0.46 C ATOM 1471 C GLU A 52 -22.712 0.164 3.272 1.00 0.46 C ATOM 1472 O GLU A 52 -21.882 0.349 4.155 1.00 0.46 O ATOM 1473 CB GLU A 52 -23.915 2.282 2.678 1.00 0.49 C ATOM 1474 CG GLU A 52 -24.316 3.296 1.615 1.00 0.52 C ATOM 1475 CD GLU A 52 -23.179 4.200 1.182 1.00 0.71 C ATOM 1476 OE1 GLU A 52 -22.799 5.093 1.967 1.00 1.27 O ATOM 1477 OE2 GLU A 52 -22.679 4.036 0.047 1.00 1.44 O ATOM 0 H GLU A 52 -24.364 0.947 0.672 1.00 0.47 H new ATOM 0 HA GLU A 52 -21.982 1.684 1.947 1.00 0.46 H new ATOM 0 HB2 GLU A 52 -24.812 1.791 3.055 1.00 0.49 H new ATOM 0 HB3 GLU A 52 -23.464 2.810 3.518 1.00 0.49 H new ATOM 0 HG2 GLU A 52 -24.699 2.765 0.744 1.00 0.52 H new ATOM 0 HG3 GLU A 52 -25.131 3.909 1.999 1.00 0.52 H new ATOM 1484 N ALA A 53 -23.457 -0.937 3.199 1.00 0.52 N ATOM 1485 CA ALA A 53 -23.322 -2.036 4.152 1.00 0.58 C ATOM 1486 C ALA A 53 -21.922 -2.654 4.121 1.00 0.57 C ATOM 1487 O ALA A 53 -21.302 -2.862 5.166 1.00 0.68 O ATOM 1488 CB ALA A 53 -24.373 -3.099 3.876 1.00 0.65 C ATOM 0 H ALA A 53 -24.166 -1.092 2.483 1.00 0.52 H new ATOM 0 HA ALA A 53 -23.475 -1.626 5.150 1.00 0.58 H new ATOM 0 HB1 ALA A 53 -24.263 -3.914 4.592 1.00 0.65 H new ATOM 0 HB2 ALA A 53 -25.367 -2.662 3.973 1.00 0.65 H new ATOM 0 HB3 ALA A 53 -24.243 -3.485 2.865 1.00 0.65 H new ATOM 1494 N ALA A 54 -21.417 -2.947 2.927 1.00 0.49 N ATOM 1495 CA ALA A 54 -20.094 -3.547 2.804 1.00 0.50 C ATOM 1496 C ALA A 54 -19.010 -2.501 3.016 1.00 0.45 C ATOM 1497 O ALA A 54 -17.929 -2.798 3.525 1.00 0.52 O ATOM 1498 CB ALA A 54 -19.913 -4.231 1.454 1.00 0.49 C ATOM 0 H ALA A 54 -21.896 -2.781 2.042 1.00 0.49 H new ATOM 0 HA ALA A 54 -20.005 -4.308 3.579 1.00 0.50 H new ATOM 0 HB1 ALA A 54 -18.916 -4.667 1.398 1.00 0.49 H new ATOM 0 HB2 ALA A 54 -20.659 -5.017 1.342 1.00 0.49 H new ATOM 0 HB3 ALA A 54 -20.034 -3.499 0.656 1.00 0.49 H new ATOM 1504 N PHE A 55 -19.314 -1.269 2.645 1.00 0.36 N ATOM 1505 CA PHE A 55 -18.364 -0.175 2.779 1.00 0.32 C ATOM 1506 C PHE A 55 -18.298 0.340 4.207 1.00 0.34 C ATOM 1507 O PHE A 55 -17.339 1.010 4.582 1.00 0.34 O ATOM 1508 CB PHE A 55 -18.710 0.950 1.806 1.00 0.31 C ATOM 1509 CG PHE A 55 -18.125 0.714 0.449 1.00 0.28 C ATOM 1510 CD1 PHE A 55 -18.782 -0.075 -0.481 1.00 1.20 C ATOM 1511 CD2 PHE A 55 -16.899 1.257 0.116 1.00 1.20 C ATOM 1512 CE1 PHE A 55 -18.224 -0.310 -1.720 1.00 1.21 C ATOM 1513 CE2 PHE A 55 -16.339 1.019 -1.120 1.00 1.20 C ATOM 1514 CZ PHE A 55 -17.000 0.235 -2.039 1.00 0.31 C ATOM 0 H PHE A 55 -20.214 -1.000 2.247 1.00 0.36 H new ATOM 0 HA PHE A 55 -17.374 -0.558 2.530 1.00 0.32 H new ATOM 0 HB2 PHE A 55 -19.793 1.039 1.724 1.00 0.31 H new ATOM 0 HB3 PHE A 55 -18.342 1.897 2.200 1.00 0.31 H new ATOM 0 HD1 PHE A 55 -19.739 -0.510 -0.234 1.00 1.20 H new ATOM 0 HD2 PHE A 55 -16.375 1.874 0.831 1.00 1.20 H new ATOM 0 HE1 PHE A 55 -18.747 -0.922 -2.440 1.00 1.21 H new ATOM 0 HE2 PHE A 55 -15.380 1.448 -1.369 1.00 1.20 H new ATOM 0 HZ PHE A 55 -16.560 0.048 -3.007 1.00 0.31 H new ATOM 1524 N GLN A 56 -19.305 0.013 5.004 1.00 0.37 N ATOM 1525 CA GLN A 56 -19.339 0.425 6.398 1.00 0.40 C ATOM 1526 C GLN A 56 -18.182 -0.198 7.173 1.00 0.37 C ATOM 1527 O GLN A 56 -17.497 0.486 7.931 1.00 0.42 O ATOM 1528 CB GLN A 56 -20.675 0.036 7.031 1.00 0.46 C ATOM 1529 CG GLN A 56 -20.853 0.556 8.447 1.00 0.58 C ATOM 1530 CD GLN A 56 -22.234 0.279 9.003 1.00 0.68 C ATOM 1531 OE1 GLN A 56 -23.231 0.252 8.132 1.00 1.42 O flip ATOM 1532 NE2 GLN A 56 -22.404 0.102 10.207 1.00 1.00 N flip ATOM 0 H GLN A 56 -20.111 -0.538 4.707 1.00 0.37 H new ATOM 0 HA GLN A 56 -19.233 1.509 6.440 1.00 0.40 H new ATOM 0 HB2 GLN A 56 -21.486 0.415 6.409 1.00 0.46 H new ATOM 0 HB3 GLN A 56 -20.761 -1.051 7.039 1.00 0.46 H new ATOM 0 HG2 GLN A 56 -20.106 0.097 9.095 1.00 0.58 H new ATOM 0 HG3 GLN A 56 -20.669 1.630 8.461 1.00 0.58 H new ATOM 0 HE21 GLN A 56 -21.608 0.131 10.844 1.00 1.00 H new ATOM 0 HE22 GLN A 56 -23.341 -0.074 10.569 1.00 1.00 H new ATOM 1541 N LYS A 57 -17.949 -1.492 6.962 1.00 0.34 N ATOM 1542 CA LYS A 57 -16.858 -2.190 7.637 1.00 0.35 C ATOM 1543 C LYS A 57 -15.526 -1.730 7.072 1.00 0.29 C ATOM 1544 O LYS A 57 -14.540 -1.617 7.796 1.00 0.34 O ATOM 1545 CB LYS A 57 -16.995 -3.703 7.477 1.00 0.47 C ATOM 1546 CG LYS A 57 -17.398 -4.444 8.748 1.00 0.85 C ATOM 1547 CD LYS A 57 -16.235 -4.605 9.727 1.00 0.57 C ATOM 1548 CE LYS A 57 -16.132 -3.444 10.702 1.00 0.63 C ATOM 1549 NZ LYS A 57 -15.082 -3.670 11.732 1.00 0.92 N ATOM 0 H LYS A 57 -18.499 -2.076 6.332 1.00 0.34 H new ATOM 0 HA LYS A 57 -16.904 -1.953 8.700 1.00 0.35 H new ATOM 0 HB2 LYS A 57 -17.735 -3.907 6.703 1.00 0.47 H new ATOM 0 HB3 LYS A 57 -16.045 -4.105 7.124 1.00 0.47 H new ATOM 0 HG2 LYS A 57 -18.208 -3.904 9.238 1.00 0.85 H new ATOM 0 HG3 LYS A 57 -17.785 -5.428 8.484 1.00 0.85 H new ATOM 0 HD2 LYS A 57 -16.359 -5.534 10.284 1.00 0.57 H new ATOM 0 HD3 LYS A 57 -15.303 -4.690 9.168 1.00 0.57 H new ATOM 0 HE2 LYS A 57 -15.910 -2.529 10.153 1.00 0.63 H new ATOM 0 HE3 LYS A 57 -17.094 -3.296 11.192 1.00 0.63 H new ATOM 0 HZ1 LYS A 57 -15.092 -2.886 12.415 1.00 0.92 H new ATOM 0 HZ2 LYS A 57 -15.269 -4.564 12.228 1.00 0.92 H new ATOM 0 HZ3 LYS A 57 -14.150 -3.718 11.273 1.00 0.92 H new ATOM 1563 N LEU A 58 -15.516 -1.463 5.771 1.00 0.24 N ATOM 1564 CA LEU A 58 -14.338 -0.938 5.102 1.00 0.20 C ATOM 1565 C LEU A 58 -13.933 0.386 5.735 1.00 0.20 C ATOM 1566 O LEU A 58 -12.872 0.493 6.348 1.00 0.22 O ATOM 1567 CB LEU A 58 -14.617 -0.751 3.607 1.00 0.20 C ATOM 1568 CG LEU A 58 -13.472 -0.132 2.811 1.00 0.19 C ATOM 1569 CD1 LEU A 58 -12.182 -0.872 3.100 1.00 0.20 C ATOM 1570 CD2 LEU A 58 -13.783 -0.147 1.321 1.00 0.23 C ATOM 0 H LEU A 58 -16.318 -1.604 5.157 1.00 0.24 H new ATOM 0 HA LEU A 58 -13.519 -1.648 5.214 1.00 0.20 H new ATOM 0 HB2 LEU A 58 -14.858 -1.722 3.173 1.00 0.20 H new ATOM 0 HB3 LEU A 58 -15.500 -0.123 3.493 1.00 0.20 H new ATOM 0 HG LEU A 58 -13.353 0.907 3.117 1.00 0.19 H new ATOM 0 HD11 LEU A 58 -11.370 -0.424 2.528 1.00 0.20 H new ATOM 0 HD12 LEU A 58 -11.956 -0.807 4.164 1.00 0.20 H new ATOM 0 HD13 LEU A 58 -12.292 -1.919 2.816 1.00 0.20 H new ATOM 0 HD21 LEU A 58 -12.954 0.299 0.772 1.00 0.23 H new ATOM 0 HD22 LEU A 58 -13.927 -1.175 0.990 1.00 0.23 H new ATOM 0 HD23 LEU A 58 -14.692 0.425 1.133 1.00 0.23 H new ATOM 1582 N MET A 59 -14.798 1.378 5.567 1.00 0.21 N ATOM 1583 CA MET A 59 -14.677 2.673 6.219 1.00 0.26 C ATOM 1584 C MET A 59 -14.234 2.535 7.670 1.00 0.27 C ATOM 1585 O MET A 59 -13.322 3.220 8.117 1.00 0.33 O ATOM 1586 CB MET A 59 -16.029 3.377 6.177 1.00 0.36 C ATOM 1587 CG MET A 59 -15.905 4.871 6.047 1.00 0.34 C ATOM 1588 SD MET A 59 -15.061 5.320 4.529 1.00 0.72 S ATOM 1589 CE MET A 59 -14.562 6.974 4.938 1.00 0.32 C ATOM 0 H MET A 59 -15.617 1.303 4.963 1.00 0.21 H new ATOM 0 HA MET A 59 -13.921 3.251 5.688 1.00 0.26 H new ATOM 0 HB2 MET A 59 -16.609 2.991 5.339 1.00 0.36 H new ATOM 0 HB3 MET A 59 -16.585 3.141 7.084 1.00 0.36 H new ATOM 0 HG2 MET A 59 -16.896 5.324 6.063 1.00 0.34 H new ATOM 0 HG3 MET A 59 -15.359 5.269 6.902 1.00 0.34 H new ATOM 0 HE1 MET A 59 -13.901 7.357 4.161 1.00 0.32 H new ATOM 0 HE2 MET A 59 -15.443 7.612 5.012 1.00 0.32 H new ATOM 0 HE3 MET A 59 -14.036 6.970 5.893 1.00 0.32 H new ATOM 1599 N SER A 60 -14.890 1.636 8.390 1.00 0.28 N ATOM 1600 CA SER A 60 -14.602 1.404 9.798 1.00 0.35 C ATOM 1601 C SER A 60 -13.155 0.997 10.042 1.00 0.32 C ATOM 1602 O SER A 60 -12.429 1.662 10.783 1.00 0.36 O ATOM 1603 CB SER A 60 -15.492 0.304 10.335 1.00 0.41 C ATOM 1604 OG SER A 60 -16.833 0.737 10.485 1.00 0.64 O ATOM 0 H SER A 60 -15.635 1.048 8.016 1.00 0.28 H new ATOM 0 HA SER A 60 -14.788 2.348 10.310 1.00 0.35 H new ATOM 0 HB2 SER A 60 -15.460 -0.551 9.660 1.00 0.41 H new ATOM 0 HB3 SER A 60 -15.110 -0.035 11.298 1.00 0.41 H new ATOM 0 HG SER A 60 -17.248 0.828 9.602 1.00 0.64 H new ATOM 1610 N ASN A 61 -12.748 -0.101 9.416 1.00 0.30 N ATOM 1611 CA ASN A 61 -11.420 -0.669 9.635 1.00 0.31 C ATOM 1612 C ASN A 61 -10.355 0.266 9.097 1.00 0.31 C ATOM 1613 O ASN A 61 -9.174 0.154 9.425 1.00 0.39 O ATOM 1614 CB ASN A 61 -11.304 -2.037 8.960 1.00 0.34 C ATOM 1615 CG ASN A 61 -12.260 -3.063 9.535 1.00 0.43 C ATOM 1616 OD1 ASN A 61 -12.661 -2.981 10.693 1.00 0.95 O ATOM 1617 ND2 ASN A 61 -12.635 -4.043 8.729 1.00 0.57 N ATOM 0 H ASN A 61 -13.320 -0.619 8.749 1.00 0.30 H new ATOM 0 HA ASN A 61 -11.272 -0.795 10.707 1.00 0.31 H new ATOM 0 HB2 ASN A 61 -11.496 -1.927 7.893 1.00 0.34 H new ATOM 0 HB3 ASN A 61 -10.282 -2.402 9.064 1.00 0.34 H new ATOM 0 HD21 ASN A 61 -13.277 -4.761 9.064 1.00 0.57 H new ATOM 0 HD22 ASN A 61 -12.282 -4.080 7.773 1.00 0.57 H new ATOM 1624 N LEU A 62 -10.802 1.208 8.291 1.00 0.30 N ATOM 1625 CA LEU A 62 -9.912 2.185 7.669 1.00 0.33 C ATOM 1626 C LEU A 62 -9.752 3.402 8.559 1.00 0.33 C ATOM 1627 O LEU A 62 -8.653 3.919 8.740 1.00 0.38 O ATOM 1628 CB LEU A 62 -10.465 2.623 6.313 1.00 0.37 C ATOM 1629 CG LEU A 62 -9.745 2.055 5.094 1.00 0.24 C ATOM 1630 CD1 LEU A 62 -9.675 0.540 5.165 1.00 0.52 C ATOM 1631 CD2 LEU A 62 -10.452 2.500 3.824 1.00 0.28 C ATOM 0 H LEU A 62 -11.785 1.323 8.046 1.00 0.30 H new ATOM 0 HA LEU A 62 -8.940 1.713 7.528 1.00 0.33 H new ATOM 0 HB2 LEU A 62 -11.515 2.336 6.259 1.00 0.37 H new ATOM 0 HB3 LEU A 62 -10.429 3.711 6.260 1.00 0.37 H new ATOM 0 HG LEU A 62 -8.724 2.436 5.082 1.00 0.24 H new ATOM 0 HD11 LEU A 62 -9.157 0.158 4.285 1.00 0.52 H new ATOM 0 HD12 LEU A 62 -9.133 0.242 6.063 1.00 0.52 H new ATOM 0 HD13 LEU A 62 -10.685 0.130 5.198 1.00 0.52 H new ATOM 0 HD21 LEU A 62 -9.933 2.091 2.957 1.00 0.28 H new ATOM 0 HD22 LEU A 62 -11.481 2.140 3.835 1.00 0.28 H new ATOM 0 HD23 LEU A 62 -10.450 3.589 3.769 1.00 0.28 H new ATOM 1643 N ASP A 63 -10.871 3.846 9.102 1.00 0.37 N ATOM 1644 CA ASP A 63 -10.929 5.035 9.932 1.00 0.43 C ATOM 1645 C ASP A 63 -10.187 4.823 11.249 1.00 0.38 C ATOM 1646 O ASP A 63 -10.762 4.374 12.240 1.00 0.43 O ATOM 1647 CB ASP A 63 -12.394 5.392 10.182 1.00 0.56 C ATOM 1648 CG ASP A 63 -12.579 6.631 11.019 1.00 0.85 C ATOM 1649 OD1 ASP A 63 -11.900 7.642 10.760 1.00 1.56 O ATOM 1650 OD2 ASP A 63 -13.447 6.619 11.913 1.00 1.35 O ATOM 0 H ASP A 63 -11.773 3.387 8.978 1.00 0.37 H new ATOM 0 HA ASP A 63 -10.437 5.859 9.415 1.00 0.43 H new ATOM 0 HB2 ASP A 63 -12.893 5.533 9.223 1.00 0.56 H new ATOM 0 HB3 ASP A 63 -12.884 4.553 10.676 1.00 0.56 H new ATOM 1655 N SER A 64 -8.896 5.113 11.235 1.00 0.37 N ATOM 1656 CA SER A 64 -8.059 4.966 12.411 1.00 0.41 C ATOM 1657 C SER A 64 -8.063 6.270 13.197 1.00 0.52 C ATOM 1658 O SER A 64 -7.865 6.293 14.415 1.00 0.64 O ATOM 1659 CB SER A 64 -6.632 4.579 11.997 1.00 0.45 C ATOM 1660 OG SER A 64 -5.923 5.685 11.461 1.00 0.58 O ATOM 0 H SER A 64 -8.402 5.455 10.411 1.00 0.37 H new ATOM 0 HA SER A 64 -8.453 4.172 13.046 1.00 0.41 H new ATOM 0 HB2 SER A 64 -6.096 4.187 12.861 1.00 0.45 H new ATOM 0 HB3 SER A 64 -6.672 3.779 11.257 1.00 0.45 H new ATOM 0 HG SER A 64 -6.559 6.334 11.094 1.00 0.58 H new ATOM 1666 N ASN A 65 -8.309 7.357 12.475 1.00 0.60 N ATOM 1667 CA ASN A 65 -8.392 8.685 13.063 1.00 0.83 C ATOM 1668 C ASN A 65 -9.728 8.865 13.779 1.00 0.89 C ATOM 1669 O ASN A 65 -9.896 9.775 14.593 1.00 1.10 O ATOM 1670 CB ASN A 65 -8.206 9.751 11.976 1.00 0.95 C ATOM 1671 CG ASN A 65 -9.355 9.806 10.982 1.00 0.99 C ATOM 1672 OD1 ASN A 65 -10.280 10.603 11.126 1.00 1.52 O ATOM 1673 ND2 ASN A 65 -9.310 8.955 9.969 1.00 1.44 N ATOM 0 H ASN A 65 -8.456 7.341 11.466 1.00 0.60 H new ATOM 0 HA ASN A 65 -7.596 8.799 13.799 1.00 0.83 H new ATOM 0 HB2 ASN A 65 -8.098 10.727 12.449 1.00 0.95 H new ATOM 0 HB3 ASN A 65 -7.279 9.553 11.438 1.00 0.95 H new ATOM 0 HD21 ASN A 65 -10.059 8.947 9.276 1.00 1.44 H new ATOM 0 HD22 ASN A 65 -8.527 8.308 9.881 1.00 1.44 H new ATOM 1680 N ARG A 66 -10.665 7.977 13.458 1.00 0.79 N ATOM 1681 CA ARG A 66 -11.958 7.887 14.136 1.00 0.98 C ATOM 1682 C ARG A 66 -12.828 9.112 13.874 1.00 1.05 C ATOM 1683 O ARG A 66 -13.373 9.711 14.804 1.00 1.34 O ATOM 1684 CB ARG A 66 -11.786 7.664 15.645 1.00 1.26 C ATOM 1685 CG ARG A 66 -11.002 6.409 15.999 1.00 1.46 C ATOM 1686 CD ARG A 66 -11.470 5.201 15.197 1.00 1.25 C ATOM 1687 NE ARG A 66 -12.909 4.971 15.309 1.00 1.91 N ATOM 1688 CZ ARG A 66 -13.579 4.098 14.559 1.00 2.60 C ATOM 1689 NH1 ARG A 66 -12.948 3.391 13.626 1.00 2.85 N ATOM 1690 NH2 ARG A 66 -14.887 3.953 14.723 1.00 3.45 N ATOM 0 H ARG A 66 -10.548 7.291 12.712 1.00 0.79 H new ATOM 0 HA ARG A 66 -12.470 7.021 13.717 1.00 0.98 H new ATOM 0 HB2 ARG A 66 -11.281 8.529 16.075 1.00 1.26 H new ATOM 0 HB3 ARG A 66 -12.771 7.608 16.108 1.00 1.26 H new ATOM 0 HG2 ARG A 66 -9.941 6.579 15.813 1.00 1.46 H new ATOM 0 HG3 ARG A 66 -11.110 6.202 17.064 1.00 1.46 H new ATOM 0 HD2 ARG A 66 -11.210 5.344 14.148 1.00 1.25 H new ATOM 0 HD3 ARG A 66 -10.937 4.314 15.540 1.00 1.25 H new ATOM 0 HE ARG A 66 -13.430 5.510 16.001 1.00 1.91 H new ATOM 0 HH11 ARG A 66 -11.946 3.516 13.482 1.00 2.85 H new ATOM 0 HH12 ARG A 66 -13.466 2.724 13.054 1.00 2.85 H new ATOM 0 HH21 ARG A 66 -15.378 4.510 15.423 1.00 3.45 H new ATOM 0 HH22 ARG A 66 -15.402 3.285 14.150 1.00 3.45 H new ATOM 1704 N ASP A 67 -12.964 9.471 12.605 1.00 0.86 N ATOM 1705 CA ASP A 67 -13.883 10.533 12.202 1.00 1.00 C ATOM 1706 C ASP A 67 -14.770 10.067 11.055 1.00 0.88 C ATOM 1707 O ASP A 67 -15.584 10.835 10.544 1.00 0.94 O ATOM 1708 CB ASP A 67 -13.137 11.798 11.769 1.00 1.13 C ATOM 1709 CG ASP A 67 -12.500 12.551 12.920 1.00 1.57 C ATOM 1710 OD1 ASP A 67 -13.185 12.798 13.936 1.00 2.02 O ATOM 1711 OD2 ASP A 67 -11.320 12.939 12.795 1.00 2.08 O ATOM 0 H ASP A 67 -12.450 9.044 11.834 1.00 0.86 H new ATOM 0 HA ASP A 67 -14.494 10.770 13.073 1.00 1.00 H new ATOM 0 HB2 ASP A 67 -12.363 11.526 11.051 1.00 1.13 H new ATOM 0 HB3 ASP A 67 -13.832 12.460 11.253 1.00 1.13 H new ATOM 1716 N ASN A 68 -14.599 8.805 10.655 1.00 0.77 N ATOM 1717 CA ASN A 68 -15.333 8.228 9.522 1.00 0.74 C ATOM 1718 C ASN A 68 -14.915 8.915 8.232 1.00 0.65 C ATOM 1719 O ASN A 68 -15.685 9.008 7.275 1.00 0.66 O ATOM 1720 CB ASN A 68 -16.853 8.334 9.725 1.00 0.92 C ATOM 1721 CG ASN A 68 -17.397 7.369 10.763 1.00 1.13 C ATOM 1722 OD1 ASN A 68 -16.528 6.855 11.602 1.00 1.54 O flip ATOM 1723 ND2 ASN A 68 -18.589 7.061 10.775 1.00 1.75 N flip ATOM 0 H ASN A 68 -13.952 8.156 11.103 1.00 0.77 H new ATOM 0 HA ASN A 68 -15.085 7.169 9.458 1.00 0.74 H new ATOM 0 HB2 ASN A 68 -17.101 9.353 10.023 1.00 0.92 H new ATOM 0 HB3 ASN A 68 -17.352 8.150 8.773 1.00 0.92 H new ATOM 0 HD21 ASN A 68 -19.232 7.484 10.105 1.00 1.75 H new ATOM 0 HD22 ASN A 68 -18.934 6.383 11.455 1.00 1.75 H new ATOM 1730 N GLU A 69 -13.674 9.370 8.213 1.00 0.64 N ATOM 1731 CA GLU A 69 -13.114 10.051 7.063 1.00 0.63 C ATOM 1732 C GLU A 69 -11.775 9.424 6.701 1.00 0.54 C ATOM 1733 O GLU A 69 -10.855 9.412 7.521 1.00 0.65 O ATOM 1734 CB GLU A 69 -12.906 11.534 7.367 1.00 0.82 C ATOM 1735 CG GLU A 69 -14.167 12.290 7.745 1.00 0.95 C ATOM 1736 CD GLU A 69 -13.877 13.739 8.081 1.00 1.13 C ATOM 1737 OE1 GLU A 69 -13.617 14.524 7.149 1.00 1.65 O ATOM 1738 OE2 GLU A 69 -13.893 14.098 9.277 1.00 1.59 O ATOM 0 H GLU A 69 -13.027 9.277 8.996 1.00 0.64 H new ATOM 0 HA GLU A 69 -13.809 9.953 6.229 1.00 0.63 H new ATOM 0 HB2 GLU A 69 -12.187 11.626 8.181 1.00 0.82 H new ATOM 0 HB3 GLU A 69 -12.462 12.011 6.493 1.00 0.82 H new ATOM 0 HG2 GLU A 69 -14.879 12.244 6.921 1.00 0.95 H new ATOM 0 HG3 GLU A 69 -14.638 11.806 8.601 1.00 0.95 H new ATOM 1745 N VAL A 70 -11.659 8.896 5.494 1.00 0.40 N ATOM 1746 CA VAL A 70 -10.403 8.308 5.066 1.00 0.31 C ATOM 1747 C VAL A 70 -9.478 9.371 4.501 1.00 0.33 C ATOM 1748 O VAL A 70 -9.637 9.831 3.366 1.00 0.39 O ATOM 1749 CB VAL A 70 -10.594 7.173 4.036 1.00 0.28 C ATOM 1750 CG1 VAL A 70 -9.267 6.735 3.440 1.00 0.32 C ATOM 1751 CG2 VAL A 70 -11.282 5.989 4.689 1.00 0.29 C ATOM 0 H VAL A 70 -12.408 8.863 4.803 1.00 0.40 H new ATOM 0 HA VAL A 70 -9.950 7.866 5.954 1.00 0.31 H new ATOM 0 HB VAL A 70 -11.217 7.556 3.228 1.00 0.28 H new ATOM 0 HG11 VAL A 70 -9.438 5.935 2.719 1.00 0.32 H new ATOM 0 HG12 VAL A 70 -8.797 7.581 2.939 1.00 0.32 H new ATOM 0 HG13 VAL A 70 -8.613 6.374 4.234 1.00 0.32 H new ATOM 0 HG21 VAL A 70 -11.412 5.194 3.955 1.00 0.29 H new ATOM 0 HG22 VAL A 70 -10.672 5.624 5.515 1.00 0.29 H new ATOM 0 HG23 VAL A 70 -12.257 6.298 5.067 1.00 0.29 H new ATOM 1761 N ASP A 71 -8.552 9.793 5.341 1.00 0.36 N ATOM 1762 CA ASP A 71 -7.451 10.638 4.923 1.00 0.40 C ATOM 1763 C ASP A 71 -6.463 9.764 4.159 1.00 0.32 C ATOM 1764 O ASP A 71 -6.618 8.541 4.148 1.00 0.29 O ATOM 1765 CB ASP A 71 -6.794 11.260 6.162 1.00 0.49 C ATOM 1766 CG ASP A 71 -5.779 12.332 5.834 1.00 0.61 C ATOM 1767 OD1 ASP A 71 -6.176 13.506 5.695 1.00 1.22 O ATOM 1768 OD2 ASP A 71 -4.576 12.008 5.732 1.00 1.32 O ATOM 0 H ASP A 71 -8.543 9.559 6.334 1.00 0.36 H new ATOM 0 HA ASP A 71 -7.793 11.449 4.280 1.00 0.40 H new ATOM 0 HB2 ASP A 71 -7.569 11.687 6.798 1.00 0.49 H new ATOM 0 HB3 ASP A 71 -6.306 10.474 6.738 1.00 0.49 H new ATOM 1773 N PHE A 72 -5.456 10.352 3.529 1.00 0.36 N ATOM 1774 CA PHE A 72 -4.489 9.555 2.780 1.00 0.36 C ATOM 1775 C PHE A 72 -3.827 8.523 3.692 1.00 0.30 C ATOM 1776 O PHE A 72 -3.464 7.431 3.251 1.00 0.39 O ATOM 1777 CB PHE A 72 -3.433 10.430 2.122 1.00 0.51 C ATOM 1778 CG PHE A 72 -2.603 9.642 1.165 1.00 0.58 C ATOM 1779 CD1 PHE A 72 -3.216 8.902 0.172 1.00 1.26 C ATOM 1780 CD2 PHE A 72 -1.229 9.611 1.267 1.00 1.38 C ATOM 1781 CE1 PHE A 72 -2.478 8.141 -0.700 1.00 1.29 C ATOM 1782 CE2 PHE A 72 -0.484 8.860 0.389 1.00 1.46 C ATOM 1783 CZ PHE A 72 -1.100 8.126 -0.587 1.00 0.78 C ATOM 0 H PHE A 72 -5.287 11.358 3.519 1.00 0.36 H new ATOM 0 HA PHE A 72 -5.031 9.035 1.990 1.00 0.36 H new ATOM 0 HB2 PHE A 72 -3.915 11.254 1.597 1.00 0.51 H new ATOM 0 HB3 PHE A 72 -2.793 10.870 2.887 1.00 0.51 H new ATOM 0 HD1 PHE A 72 -4.292 8.923 0.081 1.00 1.26 H new ATOM 0 HD2 PHE A 72 -0.735 10.180 2.041 1.00 1.38 H new ATOM 0 HE1 PHE A 72 -2.969 7.560 -1.467 1.00 1.29 H new ATOM 0 HE2 PHE A 72 0.593 8.850 0.470 1.00 1.46 H new ATOM 0 HZ PHE A 72 -0.509 7.534 -1.270 1.00 0.78 H new ATOM 1793 N GLN A 73 -3.701 8.870 4.968 1.00 0.30 N ATOM 1794 CA GLN A 73 -3.192 7.953 5.985 1.00 0.41 C ATOM 1795 C GLN A 73 -3.974 6.641 5.966 1.00 0.38 C ATOM 1796 O GLN A 73 -3.394 5.555 5.889 1.00 0.44 O ATOM 1797 CB GLN A 73 -3.305 8.572 7.383 1.00 0.61 C ATOM 1798 CG GLN A 73 -2.518 9.857 7.584 1.00 0.85 C ATOM 1799 CD GLN A 73 -1.028 9.664 7.413 1.00 0.83 C ATOM 1800 OE1 GLN A 73 -0.315 9.330 8.362 1.00 1.20 O ATOM 1801 NE2 GLN A 73 -0.543 9.900 6.211 1.00 1.48 N ATOM 0 H GLN A 73 -3.948 9.792 5.327 1.00 0.30 H new ATOM 0 HA GLN A 73 -2.144 7.759 5.757 1.00 0.41 H new ATOM 0 HB2 GLN A 73 -4.356 8.771 7.591 1.00 0.61 H new ATOM 0 HB3 GLN A 73 -2.968 7.839 8.116 1.00 0.61 H new ATOM 0 HG2 GLN A 73 -2.867 10.606 6.873 1.00 0.85 H new ATOM 0 HG3 GLN A 73 -2.717 10.247 8.582 1.00 0.85 H new ATOM 0 HE21 GLN A 73 -1.169 10.174 5.453 1.00 1.48 H new ATOM 0 HE22 GLN A 73 0.458 9.808 6.038 1.00 1.48 H new ATOM 1810 N GLU A 74 -5.299 6.755 6.005 1.00 0.34 N ATOM 1811 CA GLU A 74 -6.167 5.591 6.099 1.00 0.37 C ATOM 1812 C GLU A 74 -6.257 4.925 4.735 1.00 0.32 C ATOM 1813 O GLU A 74 -6.568 3.742 4.612 1.00 0.36 O ATOM 1814 CB GLU A 74 -7.568 6.008 6.562 1.00 0.44 C ATOM 1815 CG GLU A 74 -7.595 7.258 7.435 1.00 0.52 C ATOM 1816 CD GLU A 74 -6.901 7.090 8.769 1.00 0.58 C ATOM 1817 OE1 GLU A 74 -5.664 7.202 8.817 1.00 1.29 O ATOM 1818 OE2 GLU A 74 -7.595 6.883 9.779 1.00 1.16 O ATOM 0 H GLU A 74 -5.794 7.646 5.973 1.00 0.34 H new ATOM 0 HA GLU A 74 -5.752 4.893 6.826 1.00 0.37 H new ATOM 0 HB2 GLU A 74 -8.192 6.178 5.685 1.00 0.44 H new ATOM 0 HB3 GLU A 74 -8.015 5.183 7.116 1.00 0.44 H new ATOM 0 HG2 GLU A 74 -7.125 8.078 6.893 1.00 0.52 H new ATOM 0 HG3 GLU A 74 -8.632 7.545 7.610 1.00 0.52 H new ATOM 1825 N TYR A 75 -5.960 5.710 3.715 1.00 0.26 N ATOM 1826 CA TYR A 75 -6.043 5.264 2.339 1.00 0.25 C ATOM 1827 C TYR A 75 -4.873 4.336 2.001 1.00 0.24 C ATOM 1828 O TYR A 75 -5.045 3.325 1.321 1.00 0.28 O ATOM 1829 CB TYR A 75 -6.051 6.486 1.423 1.00 0.25 C ATOM 1830 CG TYR A 75 -6.407 6.182 -0.006 1.00 0.26 C ATOM 1831 CD1 TYR A 75 -5.501 5.547 -0.846 1.00 1.27 C ATOM 1832 CD2 TYR A 75 -7.649 6.533 -0.515 1.00 1.17 C ATOM 1833 CE1 TYR A 75 -5.820 5.267 -2.156 1.00 1.30 C ATOM 1834 CE2 TYR A 75 -7.975 6.255 -1.831 1.00 1.17 C ATOM 1835 CZ TYR A 75 -7.053 5.622 -2.644 1.00 0.38 C ATOM 1836 OH TYR A 75 -7.363 5.349 -3.953 1.00 0.47 O ATOM 0 H TYR A 75 -5.654 6.677 3.820 1.00 0.26 H new ATOM 0 HA TYR A 75 -6.963 4.698 2.193 1.00 0.25 H new ATOM 0 HB2 TYR A 75 -6.760 7.216 1.815 1.00 0.25 H new ATOM 0 HB3 TYR A 75 -5.066 6.952 1.449 1.00 0.25 H new ATOM 0 HD1 TYR A 75 -4.530 5.268 -0.465 1.00 1.27 H new ATOM 0 HD2 TYR A 75 -8.368 7.028 0.121 1.00 1.17 H new ATOM 0 HE1 TYR A 75 -5.105 4.771 -2.795 1.00 1.30 H new ATOM 0 HE2 TYR A 75 -8.944 6.531 -2.221 1.00 1.17 H new ATOM 0 HH TYR A 75 -7.236 6.156 -4.494 1.00 0.47 H new ATOM 1846 N CYS A 76 -3.687 4.687 2.479 1.00 0.22 N ATOM 1847 CA CYS A 76 -2.504 3.858 2.275 1.00 0.21 C ATOM 1848 C CYS A 76 -2.703 2.480 2.875 1.00 0.15 C ATOM 1849 O CYS A 76 -2.458 1.461 2.227 1.00 0.17 O ATOM 1850 CB CYS A 76 -1.282 4.523 2.899 1.00 0.27 C ATOM 1851 SG CYS A 76 -0.888 6.137 2.202 1.00 1.65 S ATOM 0 H CYS A 76 -3.517 5.540 3.011 1.00 0.22 H new ATOM 0 HA CYS A 76 -2.344 3.750 1.202 1.00 0.21 H new ATOM 0 HB2 CYS A 76 -1.449 4.633 3.971 1.00 0.27 H new ATOM 0 HB3 CYS A 76 -0.421 3.866 2.776 1.00 0.27 H new ATOM 0 HG CYS A 76 -1.831 6.980 2.500 1.00 1.65 H new ATOM 1857 N VAL A 77 -3.173 2.451 4.106 1.00 0.16 N ATOM 1858 CA VAL A 77 -3.365 1.200 4.807 1.00 0.17 C ATOM 1859 C VAL A 77 -4.589 0.465 4.287 1.00 0.17 C ATOM 1860 O VAL A 77 -4.706 -0.740 4.466 1.00 0.19 O ATOM 1861 CB VAL A 77 -3.455 1.424 6.319 1.00 0.20 C ATOM 1862 CG1 VAL A 77 -2.143 1.998 6.811 1.00 0.23 C ATOM 1863 CG2 VAL A 77 -4.611 2.344 6.680 1.00 0.19 C ATOM 0 H VAL A 77 -3.429 3.281 4.641 1.00 0.16 H new ATOM 0 HA VAL A 77 -2.494 0.573 4.616 1.00 0.17 H new ATOM 0 HB VAL A 77 -3.644 0.467 6.805 1.00 0.20 H new ATOM 0 HG11 VAL A 77 -2.198 2.161 7.887 1.00 0.23 H new ATOM 0 HG12 VAL A 77 -1.335 1.300 6.590 1.00 0.23 H new ATOM 0 HG13 VAL A 77 -1.950 2.947 6.310 1.00 0.23 H new ATOM 0 HG21 VAL A 77 -4.644 2.480 7.761 1.00 0.19 H new ATOM 0 HG22 VAL A 77 -4.471 3.311 6.197 1.00 0.19 H new ATOM 0 HG23 VAL A 77 -5.548 1.901 6.341 1.00 0.19 H new ATOM 1873 N PHE A 78 -5.486 1.195 3.635 1.00 0.20 N ATOM 1874 CA PHE A 78 -6.571 0.582 2.898 1.00 0.22 C ATOM 1875 C PHE A 78 -5.988 -0.385 1.881 1.00 0.19 C ATOM 1876 O PHE A 78 -6.156 -1.592 1.997 1.00 0.18 O ATOM 1877 CB PHE A 78 -7.403 1.673 2.205 1.00 0.30 C ATOM 1878 CG PHE A 78 -8.356 1.192 1.150 1.00 0.22 C ATOM 1879 CD1 PHE A 78 -9.357 0.278 1.434 1.00 1.19 C ATOM 1880 CD2 PHE A 78 -8.252 1.690 -0.134 1.00 1.21 C ATOM 1881 CE1 PHE A 78 -10.236 -0.130 0.447 1.00 1.21 C ATOM 1882 CE2 PHE A 78 -9.118 1.287 -1.122 1.00 1.20 C ATOM 1883 CZ PHE A 78 -10.113 0.376 -0.834 1.00 0.22 C ATOM 0 H PHE A 78 -5.478 2.215 3.605 1.00 0.20 H new ATOM 0 HA PHE A 78 -7.226 0.032 3.574 1.00 0.22 H new ATOM 0 HB2 PHE A 78 -7.971 2.209 2.965 1.00 0.30 H new ATOM 0 HB3 PHE A 78 -6.720 2.392 1.752 1.00 0.30 H new ATOM 0 HD1 PHE A 78 -9.452 -0.119 2.434 1.00 1.19 H new ATOM 0 HD2 PHE A 78 -7.478 2.407 -0.365 1.00 1.21 H new ATOM 0 HE1 PHE A 78 -11.016 -0.841 0.676 1.00 1.21 H new ATOM 0 HE2 PHE A 78 -9.020 1.683 -2.122 1.00 1.20 H new ATOM 0 HZ PHE A 78 -10.795 0.058 -1.608 1.00 0.22 H new ATOM 1893 N LEU A 79 -5.227 0.160 0.944 1.00 0.20 N ATOM 1894 CA LEU A 79 -4.724 -0.608 -0.181 1.00 0.19 C ATOM 1895 C LEU A 79 -3.693 -1.644 0.214 1.00 0.16 C ATOM 1896 O LEU A 79 -3.777 -2.791 -0.204 1.00 0.18 O ATOM 1897 CB LEU A 79 -4.154 0.323 -1.236 1.00 0.22 C ATOM 1898 CG LEU A 79 -5.224 1.022 -2.046 1.00 0.15 C ATOM 1899 CD1 LEU A 79 -4.608 1.785 -3.206 1.00 0.16 C ATOM 1900 CD2 LEU A 79 -6.231 -0.010 -2.525 1.00 0.16 C ATOM 0 H LEU A 79 -4.943 1.140 0.943 1.00 0.20 H new ATOM 0 HA LEU A 79 -5.574 -1.156 -0.589 1.00 0.19 H new ATOM 0 HB2 LEU A 79 -3.526 1.071 -0.752 1.00 0.22 H new ATOM 0 HB3 LEU A 79 -3.512 -0.247 -1.907 1.00 0.22 H new ATOM 0 HG LEU A 79 -5.739 1.754 -1.423 1.00 0.15 H new ATOM 0 HD11 LEU A 79 -5.395 2.280 -3.775 1.00 0.16 H new ATOM 0 HD12 LEU A 79 -3.913 2.532 -2.822 1.00 0.16 H new ATOM 0 HD13 LEU A 79 -4.073 1.091 -3.855 1.00 0.16 H new ATOM 0 HD21 LEU A 79 -7.007 0.483 -3.110 1.00 0.16 H new ATOM 0 HD22 LEU A 79 -5.726 -0.751 -3.144 1.00 0.16 H new ATOM 0 HD23 LEU A 79 -6.684 -0.503 -1.665 1.00 0.16 H new ATOM 1912 N SER A 80 -2.730 -1.264 1.015 1.00 0.15 N ATOM 1913 CA SER A 80 -1.686 -2.190 1.392 1.00 0.15 C ATOM 1914 C SER A 80 -2.257 -3.371 2.171 1.00 0.15 C ATOM 1915 O SER A 80 -1.705 -4.467 2.156 1.00 0.18 O ATOM 1916 CB SER A 80 -0.618 -1.465 2.175 1.00 0.17 C ATOM 1917 OG SER A 80 0.005 -0.490 1.364 1.00 0.23 O ATOM 0 H SER A 80 -2.645 -0.330 1.417 1.00 0.15 H new ATOM 0 HA SER A 80 -1.229 -2.597 0.490 1.00 0.15 H new ATOM 0 HB2 SER A 80 -1.059 -0.991 3.052 1.00 0.17 H new ATOM 0 HB3 SER A 80 0.125 -2.177 2.536 1.00 0.17 H new ATOM 0 HG SER A 80 0.970 -0.656 1.337 1.00 0.23 H new ATOM 1923 N CYS A 81 -3.366 -3.151 2.847 1.00 0.14 N ATOM 1924 CA CYS A 81 -4.060 -4.235 3.509 1.00 0.15 C ATOM 1925 C CYS A 81 -4.908 -5.026 2.521 1.00 0.14 C ATOM 1926 O CYS A 81 -5.307 -6.159 2.797 1.00 0.16 O ATOM 1927 CB CYS A 81 -4.887 -3.701 4.666 1.00 0.17 C ATOM 1928 SG CYS A 81 -3.864 -3.155 6.047 1.00 0.22 S ATOM 0 H CYS A 81 -3.804 -2.236 2.952 1.00 0.14 H new ATOM 0 HA CYS A 81 -3.322 -4.925 3.918 1.00 0.15 H new ATOM 0 HB2 CYS A 81 -5.498 -2.868 4.318 1.00 0.17 H new ATOM 0 HB3 CYS A 81 -5.571 -4.477 5.009 1.00 0.17 H new ATOM 0 HG CYS A 81 -2.774 -2.611 5.592 1.00 0.22 H new ATOM 1934 N ILE A 82 -5.174 -4.444 1.356 1.00 0.13 N ATOM 1935 CA ILE A 82 -5.839 -5.183 0.299 1.00 0.14 C ATOM 1936 C ILE A 82 -4.809 -6.022 -0.452 1.00 0.17 C ATOM 1937 O ILE A 82 -5.168 -6.946 -1.163 1.00 0.21 O ATOM 1938 CB ILE A 82 -6.624 -4.295 -0.694 1.00 0.15 C ATOM 1939 CG1 ILE A 82 -7.386 -3.199 0.030 1.00 0.15 C ATOM 1940 CG2 ILE A 82 -7.625 -5.135 -1.468 1.00 0.16 C ATOM 1941 CD1 ILE A 82 -8.275 -2.392 -0.885 1.00 0.18 C ATOM 0 H ILE A 82 -4.942 -3.478 1.126 1.00 0.13 H new ATOM 0 HA ILE A 82 -6.583 -5.817 0.781 1.00 0.14 H new ATOM 0 HB ILE A 82 -5.898 -3.844 -1.371 1.00 0.15 H new ATOM 0 HG12 ILE A 82 -7.994 -3.646 0.816 1.00 0.15 H new ATOM 0 HG13 ILE A 82 -6.675 -2.532 0.518 1.00 0.15 H new ATOM 0 HG21 ILE A 82 -8.172 -4.499 -2.164 1.00 0.16 H new ATOM 0 HG22 ILE A 82 -7.097 -5.911 -2.023 1.00 0.16 H new ATOM 0 HG23 ILE A 82 -8.325 -5.599 -0.773 1.00 0.16 H new ATOM 0 HD11 ILE A 82 -8.792 -1.626 -0.307 1.00 0.18 H new ATOM 0 HD12 ILE A 82 -7.668 -1.918 -1.656 1.00 0.18 H new ATOM 0 HD13 ILE A 82 -9.008 -3.049 -1.353 1.00 0.18 H new ATOM 1953 N ALA A 83 -3.521 -5.682 -0.319 1.00 0.18 N ATOM 1954 CA ALA A 83 -2.462 -6.616 -0.693 1.00 0.23 C ATOM 1955 C ALA A 83 -2.650 -7.912 0.070 1.00 0.20 C ATOM 1956 O ALA A 83 -2.682 -8.998 -0.507 1.00 0.21 O ATOM 1957 CB ALA A 83 -1.092 -6.050 -0.376 1.00 0.30 C ATOM 0 H ALA A 83 -3.195 -4.784 0.038 1.00 0.18 H new ATOM 0 HA ALA A 83 -2.523 -6.791 -1.767 1.00 0.23 H new ATOM 0 HB1 ALA A 83 -0.325 -6.769 -0.666 1.00 0.30 H new ATOM 0 HB2 ALA A 83 -0.946 -5.121 -0.927 1.00 0.30 H new ATOM 0 HB3 ALA A 83 -1.018 -5.853 0.693 1.00 0.30 H new ATOM 1963 N MET A 84 -2.786 -7.778 1.380 1.00 0.22 N ATOM 1964 CA MET A 84 -3.052 -8.923 2.244 1.00 0.25 C ATOM 1965 C MET A 84 -4.364 -9.596 1.858 1.00 0.24 C ATOM 1966 O MET A 84 -4.481 -10.822 1.917 1.00 0.28 O ATOM 1967 CB MET A 84 -3.061 -8.509 3.715 1.00 0.30 C ATOM 1968 CG MET A 84 -1.669 -8.437 4.321 1.00 0.34 C ATOM 1969 SD MET A 84 -1.661 -7.696 5.961 1.00 0.36 S ATOM 1970 CE MET A 84 -2.147 -6.028 5.542 1.00 0.20 C ATOM 0 H MET A 84 -2.717 -6.887 1.871 1.00 0.22 H new ATOM 0 HA MET A 84 -2.247 -9.645 2.106 1.00 0.25 H new ATOM 0 HB2 MET A 84 -3.543 -7.536 3.810 1.00 0.30 H new ATOM 0 HB3 MET A 84 -3.662 -9.219 4.283 1.00 0.30 H new ATOM 0 HG2 MET A 84 -1.250 -9.442 4.379 1.00 0.34 H new ATOM 0 HG3 MET A 84 -1.020 -7.859 3.663 1.00 0.34 H new ATOM 0 HE1 MET A 84 -1.972 -5.373 6.395 1.00 0.20 H new ATOM 0 HE2 MET A 84 -1.560 -5.681 4.692 1.00 0.20 H new ATOM 0 HE3 MET A 84 -3.206 -6.012 5.283 1.00 0.20 H new ATOM 1980 N MET A 85 -5.342 -8.791 1.452 1.00 0.25 N ATOM 1981 CA MET A 85 -6.569 -9.324 0.875 1.00 0.36 C ATOM 1982 C MET A 85 -6.237 -10.134 -0.361 1.00 0.33 C ATOM 1983 O MET A 85 -6.622 -11.291 -0.492 1.00 0.43 O ATOM 1984 CB MET A 85 -7.522 -8.211 0.435 1.00 0.62 C ATOM 1985 CG MET A 85 -8.888 -8.742 0.026 1.00 0.77 C ATOM 1986 SD MET A 85 -9.846 -7.561 -0.923 1.00 0.67 S ATOM 1987 CE MET A 85 -10.312 -6.422 0.369 1.00 0.30 C ATOM 0 H MET A 85 -5.308 -7.773 1.512 1.00 0.25 H new ATOM 0 HA MET A 85 -7.046 -9.931 1.644 1.00 0.36 H new ATOM 0 HB2 MET A 85 -7.642 -7.497 1.250 1.00 0.62 H new ATOM 0 HB3 MET A 85 -7.081 -7.669 -0.402 1.00 0.62 H new ATOM 0 HG2 MET A 85 -8.757 -9.650 -0.562 1.00 0.77 H new ATOM 0 HG3 MET A 85 -9.446 -9.019 0.920 1.00 0.77 H new ATOM 0 HE1 MET A 85 -10.872 -5.592 -0.062 1.00 0.30 H new ATOM 0 HE2 MET A 85 -10.934 -6.937 1.101 1.00 0.30 H new ATOM 0 HE3 MET A 85 -9.416 -6.040 0.858 1.00 0.30 H new ATOM 1997 N CYS A 86 -5.495 -9.497 -1.254 1.00 0.32 N ATOM 1998 CA CYS A 86 -5.226 -10.035 -2.571 1.00 0.43 C ATOM 1999 C CYS A 86 -4.410 -11.314 -2.499 1.00 0.43 C ATOM 2000 O CYS A 86 -4.426 -12.091 -3.432 1.00 0.58 O ATOM 2001 CB CYS A 86 -4.511 -8.994 -3.438 1.00 0.49 C ATOM 2002 SG CYS A 86 -4.465 -9.412 -5.197 1.00 0.57 S ATOM 0 H CYS A 86 -5.063 -8.589 -1.081 1.00 0.32 H new ATOM 0 HA CYS A 86 -6.184 -10.280 -3.029 1.00 0.43 H new ATOM 0 HB2 CYS A 86 -5.008 -8.031 -3.316 1.00 0.49 H new ATOM 0 HB3 CYS A 86 -3.490 -8.874 -3.076 1.00 0.49 H new ATOM 0 HG CYS A 86 -4.446 -10.704 -5.336 1.00 0.57 H new ATOM 2008 N ASN A 87 -3.697 -11.534 -1.400 1.00 0.36 N ATOM 2009 CA ASN A 87 -2.977 -12.792 -1.216 1.00 0.44 C ATOM 2010 C ASN A 87 -3.965 -13.914 -0.970 1.00 0.47 C ATOM 2011 O ASN A 87 -3.969 -14.921 -1.674 1.00 0.54 O ATOM 2012 CB ASN A 87 -1.997 -12.709 -0.047 1.00 0.54 C ATOM 2013 CG ASN A 87 -1.182 -13.984 0.121 1.00 0.72 C ATOM 2014 OD1 ASN A 87 -0.139 -14.152 -0.513 1.00 1.43 O ATOM 2015 ND2 ASN A 87 -1.641 -14.887 0.978 1.00 1.23 N ATOM 0 H ASN A 87 -3.601 -10.869 -0.632 1.00 0.36 H new ATOM 0 HA ASN A 87 -2.407 -12.990 -2.124 1.00 0.44 H new ATOM 0 HB2 ASN A 87 -1.322 -11.868 -0.202 1.00 0.54 H new ATOM 0 HB3 ASN A 87 -2.548 -12.510 0.872 1.00 0.54 H new ATOM 0 HD21 ASN A 87 -1.126 -15.754 1.129 1.00 1.23 H new ATOM 0 HD22 ASN A 87 -2.509 -14.714 1.486 1.00 1.23 H new ATOM 2022 N GLU A 88 -4.821 -13.710 0.020 1.00 0.56 N ATOM 2023 CA GLU A 88 -5.855 -14.674 0.354 1.00 0.70 C ATOM 2024 C GLU A 88 -6.805 -14.847 -0.822 1.00 0.73 C ATOM 2025 O GLU A 88 -7.279 -15.944 -1.101 1.00 0.82 O ATOM 2026 CB GLU A 88 -6.616 -14.202 1.591 1.00 0.96 C ATOM 2027 CG GLU A 88 -5.733 -14.055 2.816 1.00 1.81 C ATOM 2028 CD GLU A 88 -4.969 -15.323 3.134 1.00 2.18 C ATOM 2029 OE1 GLU A 88 -5.542 -16.221 3.794 1.00 2.78 O ATOM 2030 OE2 GLU A 88 -3.795 -15.435 2.727 1.00 2.60 O ATOM 0 H GLU A 88 -4.818 -12.878 0.610 1.00 0.56 H new ATOM 0 HA GLU A 88 -5.394 -15.638 0.570 1.00 0.70 H new ATOM 0 HB2 GLU A 88 -7.089 -13.244 1.375 1.00 0.96 H new ATOM 0 HB3 GLU A 88 -7.415 -14.910 1.810 1.00 0.96 H new ATOM 0 HG2 GLU A 88 -5.027 -13.240 2.656 1.00 1.81 H new ATOM 0 HG3 GLU A 88 -6.348 -13.780 3.673 1.00 1.81 H new ATOM 2285 N ALA B 2 -3.478 -0.371 -17.758 1.00 0.34 N ATOM 2286 CA ALA B 2 -4.100 -1.408 -16.960 1.00 0.30 C ATOM 2287 C ALA B 2 -5.041 -0.751 -15.966 1.00 0.27 C ATOM 2288 O ALA B 2 -5.038 0.472 -15.845 1.00 0.36 O ATOM 2289 CB ALA B 2 -3.045 -2.240 -16.241 1.00 0.30 C ATOM 0 HA ALA B 2 -4.662 -2.083 -17.605 1.00 0.30 H new ATOM 0 HB1 ALA B 2 -3.533 -3.013 -15.647 1.00 0.30 H new ATOM 0 HB2 ALA B 2 -2.388 -2.707 -16.975 1.00 0.30 H new ATOM 0 HB3 ALA B 2 -2.458 -1.596 -15.586 1.00 0.30 H new ATOM 2295 N CYS B 3 -5.847 -1.546 -15.275 1.00 0.25 N ATOM 2296 CA CYS B 3 -6.709 -1.028 -14.228 1.00 0.23 C ATOM 2297 C CYS B 3 -5.837 -0.538 -13.078 1.00 0.17 C ATOM 2298 O CYS B 3 -5.296 -1.341 -12.316 1.00 0.17 O ATOM 2299 CB CYS B 3 -7.677 -2.109 -13.751 1.00 0.28 C ATOM 2300 SG CYS B 3 -8.596 -2.918 -15.080 1.00 0.39 S ATOM 0 H CYS B 3 -5.920 -2.553 -15.423 1.00 0.25 H new ATOM 0 HA CYS B 3 -7.303 -0.199 -14.614 1.00 0.23 H new ATOM 0 HB2 CYS B 3 -7.117 -2.864 -13.199 1.00 0.28 H new ATOM 0 HB3 CYS B 3 -8.386 -1.664 -13.053 1.00 0.28 H new ATOM 0 HG CYS B 3 -9.387 -3.818 -14.575 1.00 0.39 H new ATOM 2306 N PRO B 4 -5.686 0.788 -12.958 1.00 0.16 N ATOM 2307 CA PRO B 4 -4.690 1.410 -12.077 1.00 0.13 C ATOM 2308 C PRO B 4 -4.742 0.911 -10.638 1.00 0.12 C ATOM 2309 O PRO B 4 -3.798 0.288 -10.151 1.00 0.12 O ATOM 2310 CB PRO B 4 -5.081 2.882 -12.129 1.00 0.17 C ATOM 2311 CG PRO B 4 -5.692 3.054 -13.468 1.00 0.20 C ATOM 2312 CD PRO B 4 -6.476 1.798 -13.690 1.00 0.20 C ATOM 0 HA PRO B 4 -3.674 1.185 -12.402 1.00 0.13 H new ATOM 0 HB2 PRO B 4 -5.785 3.134 -11.336 1.00 0.17 H new ATOM 0 HB3 PRO B 4 -4.213 3.529 -12.002 1.00 0.17 H new ATOM 0 HG2 PRO B 4 -6.335 3.934 -13.500 1.00 0.20 H new ATOM 0 HG3 PRO B 4 -4.931 3.187 -14.237 1.00 0.20 H new ATOM 0 HD2 PRO B 4 -7.490 1.880 -13.299 1.00 0.20 H new ATOM 0 HD3 PRO B 4 -6.561 1.556 -14.749 1.00 0.20 H new ATOM 2320 N LEU B 5 -5.864 1.150 -9.974 1.00 0.13 N ATOM 2321 CA LEU B 5 -5.993 0.812 -8.567 1.00 0.14 C ATOM 2322 C LEU B 5 -6.062 -0.703 -8.400 1.00 0.16 C ATOM 2323 O LEU B 5 -5.583 -1.242 -7.412 1.00 0.22 O ATOM 2324 CB LEU B 5 -7.241 1.484 -7.980 1.00 0.15 C ATOM 2325 CG LEU B 5 -7.123 2.014 -6.546 1.00 0.16 C ATOM 2326 CD1 LEU B 5 -6.928 0.884 -5.568 1.00 0.18 C ATOM 2327 CD2 LEU B 5 -5.983 3.003 -6.424 1.00 0.17 C ATOM 0 H LEU B 5 -6.694 1.575 -10.387 1.00 0.13 H new ATOM 0 HA LEU B 5 -5.120 1.178 -8.027 1.00 0.14 H new ATOM 0 HB2 LEU B 5 -7.518 2.315 -8.629 1.00 0.15 H new ATOM 0 HB3 LEU B 5 -8.061 0.767 -8.012 1.00 0.15 H new ATOM 0 HG LEU B 5 -8.055 2.526 -6.308 1.00 0.16 H new ATOM 0 HD11 LEU B 5 -6.847 1.287 -4.558 1.00 0.18 H new ATOM 0 HD12 LEU B 5 -7.780 0.206 -5.621 1.00 0.18 H new ATOM 0 HD13 LEU B 5 -6.016 0.341 -5.816 1.00 0.18 H new ATOM 0 HD21 LEU B 5 -5.922 3.363 -5.397 1.00 0.17 H new ATOM 0 HD22 LEU B 5 -5.047 2.514 -6.693 1.00 0.17 H new ATOM 0 HD23 LEU B 5 -6.158 3.845 -7.094 1.00 0.17 H new ATOM 2339 N GLU B 6 -6.635 -1.383 -9.388 1.00 0.16 N ATOM 2340 CA GLU B 6 -6.722 -2.840 -9.364 1.00 0.20 C ATOM 2341 C GLU B 6 -5.336 -3.456 -9.269 1.00 0.18 C ATOM 2342 O GLU B 6 -5.055 -4.257 -8.371 1.00 0.23 O ATOM 2343 CB GLU B 6 -7.397 -3.369 -10.627 1.00 0.29 C ATOM 2344 CG GLU B 6 -7.443 -4.889 -10.686 1.00 0.43 C ATOM 2345 CD GLU B 6 -7.544 -5.418 -12.101 1.00 0.90 C ATOM 2346 OE1 GLU B 6 -8.677 -5.586 -12.599 1.00 1.39 O ATOM 2347 OE2 GLU B 6 -6.489 -5.684 -12.718 1.00 1.79 O ATOM 0 H GLU B 6 -7.046 -0.949 -10.215 1.00 0.16 H new ATOM 0 HA GLU B 6 -7.314 -3.115 -8.491 1.00 0.20 H new ATOM 0 HB2 GLU B 6 -8.413 -2.978 -10.680 1.00 0.29 H new ATOM 0 HB3 GLU B 6 -6.865 -2.993 -11.501 1.00 0.29 H new ATOM 0 HG2 GLU B 6 -6.547 -5.294 -10.215 1.00 0.43 H new ATOM 0 HG3 GLU B 6 -8.296 -5.245 -10.108 1.00 0.43 H new ATOM 2354 N LYS B 7 -4.474 -3.069 -10.200 1.00 0.16 N ATOM 2355 CA LYS B 7 -3.152 -3.645 -10.299 1.00 0.18 C ATOM 2356 C LYS B 7 -2.311 -3.332 -9.077 1.00 0.17 C ATOM 2357 O LYS B 7 -1.412 -4.086 -8.751 1.00 0.19 O ATOM 2358 CB LYS B 7 -2.457 -3.188 -11.584 1.00 0.25 C ATOM 2359 CG LYS B 7 -2.813 -4.059 -12.777 1.00 0.41 C ATOM 2360 CD LYS B 7 -2.169 -5.430 -12.655 1.00 0.90 C ATOM 2361 CE LYS B 7 -2.751 -6.428 -13.641 1.00 0.84 C ATOM 2362 NZ LYS B 7 -4.095 -6.922 -13.217 1.00 1.18 N ATOM 0 H LYS B 7 -4.675 -2.353 -10.899 1.00 0.16 H new ATOM 0 HA LYS B 7 -3.265 -4.728 -10.341 1.00 0.18 H new ATOM 0 HB2 LYS B 7 -2.734 -2.155 -11.796 1.00 0.25 H new ATOM 0 HB3 LYS B 7 -1.377 -3.204 -11.435 1.00 0.25 H new ATOM 0 HG2 LYS B 7 -3.896 -4.165 -12.845 1.00 0.41 H new ATOM 0 HG3 LYS B 7 -2.482 -3.577 -13.697 1.00 0.41 H new ATOM 0 HD2 LYS B 7 -1.095 -5.341 -12.822 1.00 0.90 H new ATOM 0 HD3 LYS B 7 -2.304 -5.804 -11.640 1.00 0.90 H new ATOM 0 HE2 LYS B 7 -2.830 -5.962 -14.623 1.00 0.84 H new ATOM 0 HE3 LYS B 7 -2.071 -7.274 -13.744 1.00 0.84 H new ATOM 0 HZ1 LYS B 7 -4.519 -7.478 -13.987 1.00 1.18 H new ATOM 0 HZ2 LYS B 7 -3.994 -7.520 -12.372 1.00 1.18 H new ATOM 0 HZ3 LYS B 7 -4.709 -6.112 -12.997 1.00 1.18 H new ATOM 2376 N ALA B 8 -2.624 -2.243 -8.393 1.00 0.17 N ATOM 2377 CA ALA B 8 -1.929 -1.902 -7.162 1.00 0.17 C ATOM 2378 C ALA B 8 -1.921 -3.082 -6.192 1.00 0.17 C ATOM 2379 O ALA B 8 -0.872 -3.457 -5.683 1.00 0.22 O ATOM 2380 CB ALA B 8 -2.560 -0.679 -6.509 1.00 0.18 C ATOM 0 H ALA B 8 -3.351 -1.583 -8.668 1.00 0.17 H new ATOM 0 HA ALA B 8 -0.896 -1.664 -7.415 1.00 0.17 H new ATOM 0 HB1 ALA B 8 -2.025 -0.441 -5.590 1.00 0.18 H new ATOM 0 HB2 ALA B 8 -2.503 0.168 -7.192 1.00 0.18 H new ATOM 0 HB3 ALA B 8 -3.604 -0.888 -6.277 1.00 0.18 H new ATOM 2386 N LEU B 9 -3.087 -3.684 -5.968 1.00 0.13 N ATOM 2387 CA LEU B 9 -3.193 -4.826 -5.059 1.00 0.12 C ATOM 2388 C LEU B 9 -2.745 -6.100 -5.763 1.00 0.14 C ATOM 2389 O LEU B 9 -2.096 -6.961 -5.169 1.00 0.18 O ATOM 2390 CB LEU B 9 -4.629 -5.013 -4.546 1.00 0.13 C ATOM 2391 CG LEU B 9 -5.287 -3.790 -3.899 1.00 0.13 C ATOM 2392 CD1 LEU B 9 -4.301 -3.040 -3.037 1.00 0.15 C ATOM 2393 CD2 LEU B 9 -5.883 -2.864 -4.939 1.00 0.13 C ATOM 0 H LEU B 9 -3.967 -3.403 -6.400 1.00 0.13 H new ATOM 0 HA LEU B 9 -2.546 -4.623 -4.205 1.00 0.12 H new ATOM 0 HB2 LEU B 9 -5.251 -5.333 -5.382 1.00 0.13 H new ATOM 0 HB3 LEU B 9 -4.629 -5.825 -3.819 1.00 0.13 H new ATOM 0 HG LEU B 9 -6.097 -4.154 -3.267 1.00 0.13 H new ATOM 0 HD11 LEU B 9 -4.793 -2.176 -2.589 1.00 0.15 H new ATOM 0 HD12 LEU B 9 -3.933 -3.697 -2.249 1.00 0.15 H new ATOM 0 HD13 LEU B 9 -3.464 -2.704 -3.649 1.00 0.15 H new ATOM 0 HD21 LEU B 9 -6.341 -2.008 -4.444 1.00 0.13 H new ATOM 0 HD22 LEU B 9 -5.097 -2.518 -5.611 1.00 0.13 H new ATOM 0 HD23 LEU B 9 -6.640 -3.400 -5.512 1.00 0.13 H new ATOM 2405 N ASP B 10 -3.105 -6.196 -7.036 1.00 0.14 N ATOM 2406 CA ASP B 10 -2.755 -7.336 -7.882 1.00 0.16 C ATOM 2407 C ASP B 10 -1.252 -7.590 -7.855 1.00 0.15 C ATOM 2408 O ASP B 10 -0.796 -8.698 -7.569 1.00 0.19 O ATOM 2409 CB ASP B 10 -3.215 -7.036 -9.318 1.00 0.20 C ATOM 2410 CG ASP B 10 -2.989 -8.166 -10.307 1.00 0.51 C ATOM 2411 OD1 ASP B 10 -1.837 -8.614 -10.478 1.00 1.22 O ATOM 2412 OD2 ASP B 10 -3.970 -8.580 -10.962 1.00 1.19 O ATOM 0 H ASP B 10 -3.652 -5.482 -7.517 1.00 0.14 H new ATOM 0 HA ASP B 10 -3.251 -8.232 -7.508 1.00 0.16 H new ATOM 0 HB2 ASP B 10 -4.278 -6.793 -9.301 1.00 0.20 H new ATOM 0 HB3 ASP B 10 -2.691 -6.149 -9.675 1.00 0.20 H new ATOM 2417 N VAL B 11 -0.490 -6.548 -8.124 1.00 0.15 N ATOM 2418 CA VAL B 11 0.952 -6.663 -8.240 1.00 0.16 C ATOM 2419 C VAL B 11 1.614 -6.770 -6.873 1.00 0.16 C ATOM 2420 O VAL B 11 2.740 -7.241 -6.758 1.00 0.20 O ATOM 2421 CB VAL B 11 1.538 -5.471 -9.005 1.00 0.18 C ATOM 2422 CG1 VAL B 11 0.791 -5.282 -10.319 1.00 0.21 C ATOM 2423 CG2 VAL B 11 1.496 -4.208 -8.157 1.00 0.17 C ATOM 0 H VAL B 11 -0.849 -5.604 -8.268 1.00 0.15 H new ATOM 0 HA VAL B 11 1.157 -7.578 -8.796 1.00 0.16 H new ATOM 0 HB VAL B 11 2.585 -5.676 -9.230 1.00 0.18 H new ATOM 0 HG11 VAL B 11 1.212 -4.433 -10.858 1.00 0.21 H new ATOM 0 HG12 VAL B 11 0.889 -6.182 -10.926 1.00 0.21 H new ATOM 0 HG13 VAL B 11 -0.263 -5.095 -10.115 1.00 0.21 H new ATOM 0 HG21 VAL B 11 1.917 -3.376 -8.722 1.00 0.17 H new ATOM 0 HG22 VAL B 11 0.463 -3.981 -7.893 1.00 0.17 H new ATOM 0 HG23 VAL B 11 2.078 -4.361 -7.248 1.00 0.17 H new ATOM 2433 N MET B 12 0.906 -6.339 -5.836 1.00 0.16 N ATOM 2434 CA MET B 12 1.402 -6.455 -4.473 1.00 0.20 C ATOM 2435 C MET B 12 1.709 -7.900 -4.139 1.00 0.23 C ATOM 2436 O MET B 12 2.723 -8.192 -3.523 1.00 0.39 O ATOM 2437 CB MET B 12 0.384 -5.904 -3.484 1.00 0.27 C ATOM 2438 CG MET B 12 0.502 -4.410 -3.274 1.00 0.16 C ATOM 2439 SD MET B 12 -0.912 -3.728 -2.398 1.00 0.78 S ATOM 2440 CE MET B 12 -0.296 -2.112 -1.981 1.00 0.19 C ATOM 0 H MET B 12 -0.014 -5.906 -5.915 1.00 0.16 H new ATOM 0 HA MET B 12 2.320 -5.872 -4.397 1.00 0.20 H new ATOM 0 HB2 MET B 12 -0.620 -6.136 -3.839 1.00 0.27 H new ATOM 0 HB3 MET B 12 0.508 -6.409 -2.526 1.00 0.27 H new ATOM 0 HG2 MET B 12 1.412 -4.195 -2.713 1.00 0.16 H new ATOM 0 HG3 MET B 12 0.600 -3.916 -4.241 1.00 0.16 H new ATOM 0 HE1 MET B 12 -1.084 -1.537 -1.495 1.00 0.19 H new ATOM 0 HE2 MET B 12 0.553 -2.210 -1.304 1.00 0.19 H new ATOM 0 HE3 MET B 12 0.021 -1.598 -2.888 1.00 0.19 H new ATOM 2450 N VAL B 13 0.823 -8.799 -4.545 1.00 0.18 N ATOM 2451 CA VAL B 13 1.036 -10.222 -4.329 1.00 0.19 C ATOM 2452 C VAL B 13 1.737 -10.877 -5.522 1.00 0.19 C ATOM 2453 O VAL B 13 2.477 -11.850 -5.360 1.00 0.25 O ATOM 2454 CB VAL B 13 -0.282 -10.954 -4.015 1.00 0.20 C ATOM 2455 CG1 VAL B 13 -0.839 -10.468 -2.689 1.00 0.21 C ATOM 2456 CG2 VAL B 13 -1.304 -10.760 -5.124 1.00 0.22 C ATOM 0 H VAL B 13 -0.047 -8.568 -5.024 1.00 0.18 H new ATOM 0 HA VAL B 13 1.689 -10.312 -3.461 1.00 0.19 H new ATOM 0 HB VAL B 13 -0.070 -12.021 -3.946 1.00 0.20 H new ATOM 0 HG11 VAL B 13 -1.771 -10.990 -2.473 1.00 0.21 H new ATOM 0 HG12 VAL B 13 -0.118 -10.669 -1.896 1.00 0.21 H new ATOM 0 HG13 VAL B 13 -1.028 -9.396 -2.745 1.00 0.21 H new ATOM 0 HG21 VAL B 13 -2.222 -11.290 -4.870 1.00 0.22 H new ATOM 0 HG22 VAL B 13 -1.518 -9.698 -5.239 1.00 0.22 H new ATOM 0 HG23 VAL B 13 -0.905 -11.153 -6.059 1.00 0.22 H new ATOM 2466 N SER B 14 1.517 -10.337 -6.716 1.00 0.18 N ATOM 2467 CA SER B 14 2.125 -10.883 -7.923 1.00 0.21 C ATOM 2468 C SER B 14 3.634 -10.619 -7.936 1.00 0.23 C ATOM 2469 O SER B 14 4.438 -11.554 -7.935 1.00 0.26 O ATOM 2470 CB SER B 14 1.463 -10.284 -9.169 1.00 0.23 C ATOM 2471 OG SER B 14 1.931 -10.906 -10.355 1.00 1.12 O ATOM 0 H SER B 14 0.923 -9.523 -6.873 1.00 0.18 H new ATOM 0 HA SER B 14 1.969 -11.962 -7.931 1.00 0.21 H new ATOM 0 HB2 SER B 14 0.381 -10.399 -9.099 1.00 0.23 H new ATOM 0 HB3 SER B 14 1.668 -9.214 -9.213 1.00 0.23 H new ATOM 0 HG SER B 14 1.489 -10.504 -11.132 1.00 1.12 H new ATOM 2477 N THR B 15 4.011 -9.344 -7.909 1.00 0.24 N ATOM 2478 CA THR B 15 5.414 -8.955 -7.893 1.00 0.26 C ATOM 2479 C THR B 15 6.075 -9.437 -6.599 1.00 0.28 C ATOM 2480 O THR B 15 7.285 -9.667 -6.550 1.00 0.31 O ATOM 2481 CB THR B 15 5.562 -7.425 -8.035 1.00 0.27 C ATOM 2482 OG1 THR B 15 4.751 -6.964 -9.123 1.00 0.33 O ATOM 2483 CG2 THR B 15 7.012 -7.033 -8.289 1.00 0.25 C ATOM 0 H THR B 15 3.359 -8.560 -7.898 1.00 0.24 H new ATOM 0 HA THR B 15 5.913 -9.423 -8.742 1.00 0.26 H new ATOM 0 HB THR B 15 5.237 -6.964 -7.102 1.00 0.27 H new ATOM 0 HG1 THR B 15 5.327 -6.676 -9.861 1.00 0.33 H new ATOM 0 HG21 THR B 15 7.085 -5.950 -8.385 1.00 0.25 H new ATOM 0 HG22 THR B 15 7.630 -7.366 -7.455 1.00 0.25 H new ATOM 0 HG23 THR B 15 7.360 -7.503 -9.209 1.00 0.25 H new ATOM 2491 N PHE B 16 5.254 -9.602 -5.564 1.00 0.30 N ATOM 2492 CA PHE B 16 5.685 -10.199 -4.304 1.00 0.36 C ATOM 2493 C PHE B 16 6.411 -11.513 -4.562 1.00 0.40 C ATOM 2494 O PHE B 16 7.600 -11.633 -4.288 1.00 0.51 O ATOM 2495 CB PHE B 16 4.463 -10.441 -3.415 1.00 0.44 C ATOM 2496 CG PHE B 16 4.751 -11.060 -2.079 1.00 0.34 C ATOM 2497 CD1 PHE B 16 5.272 -10.301 -1.046 1.00 1.27 C ATOM 2498 CD2 PHE B 16 4.477 -12.397 -1.851 1.00 1.21 C ATOM 2499 CE1 PHE B 16 5.517 -10.865 0.190 1.00 1.42 C ATOM 2500 CE2 PHE B 16 4.723 -12.967 -0.618 1.00 1.38 C ATOM 2501 CZ PHE B 16 5.242 -12.199 0.402 1.00 0.97 C ATOM 0 H PHE B 16 4.272 -9.326 -5.576 1.00 0.30 H new ATOM 0 HA PHE B 16 6.372 -9.518 -3.801 1.00 0.36 H new ATOM 0 HB2 PHE B 16 3.958 -9.489 -3.254 1.00 0.44 H new ATOM 0 HB3 PHE B 16 3.766 -11.085 -3.952 1.00 0.44 H new ATOM 0 HD1 PHE B 16 5.489 -9.256 -1.208 1.00 1.27 H new ATOM 0 HD2 PHE B 16 4.066 -13.001 -2.646 1.00 1.21 H new ATOM 0 HE1 PHE B 16 5.923 -10.262 0.989 1.00 1.42 H new ATOM 0 HE2 PHE B 16 4.509 -14.013 -0.453 1.00 1.38 H new ATOM 0 HZ PHE B 16 5.433 -12.643 1.368 1.00 0.97 H new ATOM 2511 N HIS B 17 5.695 -12.485 -5.123 1.00 0.41 N ATOM 2512 CA HIS B 17 6.275 -13.801 -5.403 1.00 0.51 C ATOM 2513 C HIS B 17 7.343 -13.694 -6.481 1.00 0.45 C ATOM 2514 O HIS B 17 8.290 -14.479 -6.516 1.00 0.51 O ATOM 2515 CB HIS B 17 5.201 -14.794 -5.857 1.00 0.68 C ATOM 2516 CG HIS B 17 4.117 -15.029 -4.855 1.00 1.09 C ATOM 2517 ND1 HIS B 17 4.356 -15.441 -3.560 1.00 2.16 N ATOM 2518 CD2 HIS B 17 2.774 -14.900 -4.963 1.00 1.26 C ATOM 2519 CE1 HIS B 17 3.208 -15.557 -2.920 1.00 2.82 C ATOM 2520 NE2 HIS B 17 2.237 -15.233 -3.748 1.00 2.30 N ATOM 0 H HIS B 17 4.716 -12.389 -5.393 1.00 0.41 H new ATOM 0 HA HIS B 17 6.724 -14.165 -4.479 1.00 0.51 H new ATOM 0 HB2 HIS B 17 4.753 -14.429 -6.781 1.00 0.68 H new ATOM 0 HB3 HIS B 17 5.678 -15.746 -6.089 1.00 0.68 H new ATOM 0 HD2 HIS B 17 2.228 -14.592 -5.843 1.00 1.26 H new ATOM 0 HE1 HIS B 17 3.086 -15.865 -1.892 1.00 2.82 H new ATOM 0 HE2 HIS B 17 1.243 -15.230 -3.521 1.00 2.30 H new ATOM 2529 N LYS B 18 7.173 -12.706 -7.344 1.00 0.42 N ATOM 2530 CA LYS B 18 8.062 -12.470 -8.472 1.00 0.46 C ATOM 2531 C LYS B 18 9.507 -12.231 -8.016 1.00 0.45 C ATOM 2532 O LYS B 18 10.452 -12.614 -8.706 1.00 0.62 O ATOM 2533 CB LYS B 18 7.527 -11.267 -9.257 1.00 0.55 C ATOM 2534 CG LYS B 18 8.320 -10.876 -10.490 1.00 0.76 C ATOM 2535 CD LYS B 18 7.708 -9.644 -11.136 1.00 0.71 C ATOM 2536 CE LYS B 18 8.508 -9.161 -12.331 1.00 1.40 C ATOM 2537 NZ LYS B 18 7.928 -7.921 -12.910 1.00 1.67 N ATOM 0 H LYS B 18 6.405 -12.037 -7.281 1.00 0.42 H new ATOM 0 HA LYS B 18 8.082 -13.355 -9.109 1.00 0.46 H new ATOM 0 HB2 LYS B 18 6.502 -11.482 -9.561 1.00 0.55 H new ATOM 0 HB3 LYS B 18 7.487 -10.408 -8.587 1.00 0.55 H new ATOM 0 HG2 LYS B 18 9.356 -10.676 -10.217 1.00 0.76 H new ATOM 0 HG3 LYS B 18 8.331 -11.702 -11.202 1.00 0.76 H new ATOM 0 HD2 LYS B 18 6.689 -9.870 -11.451 1.00 0.71 H new ATOM 0 HD3 LYS B 18 7.643 -8.844 -10.398 1.00 0.71 H new ATOM 0 HE2 LYS B 18 9.539 -8.975 -12.029 1.00 1.40 H new ATOM 0 HE3 LYS B 18 8.534 -9.941 -13.092 1.00 1.40 H new ATOM 0 HZ1 LYS B 18 8.620 -7.479 -13.548 1.00 1.67 H new ATOM 0 HZ2 LYS B 18 7.067 -8.157 -13.444 1.00 1.67 H new ATOM 0 HZ3 LYS B 18 7.690 -7.259 -12.144 1.00 1.67 H new ATOM 2551 N TYR B 19 9.685 -11.605 -6.854 1.00 0.39 N ATOM 2552 CA TYR B 19 11.031 -11.310 -6.362 1.00 0.43 C ATOM 2553 C TYR B 19 11.322 -11.932 -4.998 1.00 0.50 C ATOM 2554 O TYR B 19 12.441 -11.825 -4.510 1.00 0.74 O ATOM 2555 CB TYR B 19 11.267 -9.801 -6.328 1.00 0.46 C ATOM 2556 CG TYR B 19 11.432 -9.216 -7.710 1.00 0.41 C ATOM 2557 CD1 TYR B 19 12.653 -9.283 -8.364 1.00 1.17 C ATOM 2558 CD2 TYR B 19 10.365 -8.624 -8.369 1.00 1.17 C ATOM 2559 CE1 TYR B 19 12.806 -8.779 -9.639 1.00 1.21 C ATOM 2560 CE2 TYR B 19 10.512 -8.114 -9.642 1.00 1.17 C ATOM 2561 CZ TYR B 19 11.733 -8.197 -10.275 1.00 0.50 C ATOM 2562 OH TYR B 19 11.876 -7.711 -11.553 1.00 0.61 O ATOM 0 H TYR B 19 8.928 -11.296 -6.244 1.00 0.39 H new ATOM 0 HA TYR B 19 11.727 -11.769 -7.064 1.00 0.43 H new ATOM 0 HB2 TYR B 19 10.429 -9.316 -5.828 1.00 0.46 H new ATOM 0 HB3 TYR B 19 12.158 -9.588 -5.737 1.00 0.46 H new ATOM 0 HD1 TYR B 19 13.498 -9.737 -7.867 1.00 1.17 H new ATOM 0 HD2 TYR B 19 9.405 -8.561 -7.878 1.00 1.17 H new ATOM 0 HE1 TYR B 19 13.763 -8.841 -10.136 1.00 1.21 H new ATOM 0 HE2 TYR B 19 9.673 -7.651 -10.141 1.00 1.17 H new ATOM 0 HH TYR B 19 11.024 -7.333 -11.857 1.00 0.61 H new ATOM 2572 N SER B 20 10.337 -12.569 -4.379 1.00 0.41 N ATOM 2573 CA SER B 20 10.580 -13.269 -3.121 1.00 0.48 C ATOM 2574 C SER B 20 10.984 -14.711 -3.394 1.00 0.57 C ATOM 2575 O SER B 20 12.008 -15.185 -2.902 1.00 0.70 O ATOM 2576 CB SER B 20 9.346 -13.221 -2.218 1.00 0.49 C ATOM 2577 OG SER B 20 8.197 -13.709 -2.889 1.00 0.53 O ATOM 0 H SER B 20 9.376 -12.617 -4.719 1.00 0.41 H new ATOM 0 HA SER B 20 11.396 -12.766 -2.602 1.00 0.48 H new ATOM 0 HB2 SER B 20 9.526 -13.814 -1.322 1.00 0.49 H new ATOM 0 HB3 SER B 20 9.171 -12.196 -1.892 1.00 0.49 H new ATOM 0 HG SER B 20 7.759 -12.973 -3.365 1.00 0.53 H new ATOM 2583 N GLY B 21 10.184 -15.396 -4.207 1.00 0.57 N ATOM 2584 CA GLY B 21 10.502 -16.756 -4.602 1.00 0.68 C ATOM 2585 C GLY B 21 11.562 -16.779 -5.678 1.00 0.71 C ATOM 2586 O GLY B 21 11.429 -17.461 -6.694 1.00 0.86 O ATOM 0 H GLY B 21 9.317 -15.030 -4.601 1.00 0.57 H new ATOM 0 HA2 GLY B 21 10.848 -17.318 -3.735 1.00 0.68 H new ATOM 0 HA3 GLY B 21 9.602 -17.252 -4.964 1.00 0.68 H new ATOM 2688 N LYS B 28 8.923 -14.306 1.458 1.00 0.69 N ATOM 2689 CA LYS B 28 9.810 -13.473 2.245 1.00 0.68 C ATOM 2690 C LYS B 28 10.846 -12.780 1.374 1.00 0.50 C ATOM 2691 O LYS B 28 11.665 -13.432 0.726 1.00 0.54 O ATOM 2692 CB LYS B 28 10.510 -14.321 3.308 1.00 0.92 C ATOM 2693 CG LYS B 28 11.277 -13.505 4.331 1.00 0.93 C ATOM 2694 CD LYS B 28 10.345 -12.783 5.291 1.00 0.98 C ATOM 2695 CE LYS B 28 9.589 -13.760 6.176 1.00 1.51 C ATOM 2696 NZ LYS B 28 10.506 -14.536 7.052 1.00 1.98 N ATOM 0 HA LYS B 28 9.207 -12.703 2.726 1.00 0.68 H new ATOM 0 HB2 LYS B 28 9.766 -14.928 3.824 1.00 0.92 H new ATOM 0 HB3 LYS B 28 11.197 -15.010 2.816 1.00 0.92 H new ATOM 0 HG2 LYS B 28 11.942 -14.160 4.894 1.00 0.93 H new ATOM 0 HG3 LYS B 28 11.906 -12.777 3.818 1.00 0.93 H new ATOM 0 HD2 LYS B 28 10.921 -12.098 5.913 1.00 0.98 H new ATOM 0 HD3 LYS B 28 9.635 -12.179 4.725 1.00 0.98 H new ATOM 0 HE2 LYS B 28 8.874 -13.214 6.791 1.00 1.51 H new ATOM 0 HE3 LYS B 28 9.015 -14.446 5.553 1.00 1.51 H new ATOM 0 HZ1 LYS B 28 10.442 -15.546 6.813 1.00 1.98 H new ATOM 0 HZ2 LYS B 28 11.483 -14.208 6.910 1.00 1.98 H new ATOM 0 HZ3 LYS B 28 10.236 -14.398 8.047 1.00 1.98 H new ATOM 2710 N LEU B 29 10.820 -11.455 1.378 1.00 0.38 N ATOM 2711 CA LEU B 29 11.807 -10.679 0.645 1.00 0.32 C ATOM 2712 C LEU B 29 12.835 -10.089 1.594 1.00 0.33 C ATOM 2713 O LEU B 29 12.500 -9.284 2.459 1.00 0.42 O ATOM 2714 CB LEU B 29 11.162 -9.540 -0.155 1.00 0.29 C ATOM 2715 CG LEU B 29 10.259 -9.961 -1.313 1.00 0.29 C ATOM 2716 CD1 LEU B 29 8.833 -10.141 -0.840 1.00 0.34 C ATOM 2717 CD2 LEU B 29 10.323 -8.940 -2.438 1.00 0.31 C ATOM 0 H LEU B 29 10.128 -10.897 1.879 1.00 0.38 H new ATOM 0 HA LEU B 29 12.291 -11.364 -0.052 1.00 0.32 H new ATOM 0 HB2 LEU B 29 10.577 -8.927 0.531 1.00 0.29 H new ATOM 0 HB3 LEU B 29 11.956 -8.907 -0.551 1.00 0.29 H new ATOM 0 HG LEU B 29 10.616 -10.917 -1.695 1.00 0.29 H new ATOM 0 HD11 LEU B 29 8.206 -10.441 -1.680 1.00 0.34 H new ATOM 0 HD12 LEU B 29 8.800 -10.911 -0.069 1.00 0.34 H new ATOM 0 HD13 LEU B 29 8.464 -9.201 -0.430 1.00 0.34 H new ATOM 0 HD21 LEU B 29 9.674 -9.257 -3.254 1.00 0.31 H new ATOM 0 HD22 LEU B 29 9.993 -7.969 -2.068 1.00 0.31 H new ATOM 0 HD23 LEU B 29 11.348 -8.861 -2.800 1.00 0.31 H new ATOM 2729 N ASN B 30 14.082 -10.499 1.444 1.00 0.31 N ATOM 2730 CA ASN B 30 15.164 -9.880 2.191 1.00 0.31 C ATOM 2731 C ASN B 30 15.655 -8.654 1.431 1.00 0.27 C ATOM 2732 O ASN B 30 15.027 -8.239 0.453 1.00 0.26 O ATOM 2733 CB ASN B 30 16.320 -10.865 2.433 1.00 0.35 C ATOM 2734 CG ASN B 30 17.169 -11.107 1.203 1.00 0.58 C ATOM 2735 OD1 ASN B 30 18.131 -10.385 0.944 1.00 1.17 O ATOM 2736 ND2 ASN B 30 16.836 -12.127 0.446 1.00 0.60 N ATOM 0 H ASN B 30 14.370 -11.251 0.818 1.00 0.31 H new ATOM 0 HA ASN B 30 14.787 -9.581 3.169 1.00 0.31 H new ATOM 0 HB2 ASN B 30 16.953 -10.482 3.233 1.00 0.35 H new ATOM 0 HB3 ASN B 30 15.912 -11.815 2.777 1.00 0.35 H new ATOM 0 HD21 ASN B 30 17.382 -12.343 -0.388 1.00 0.60 H new ATOM 0 HD22 ASN B 30 16.032 -12.704 0.692 1.00 0.60 H new ATOM 2743 N LYS B 31 16.766 -8.075 1.882 1.00 0.27 N ATOM 2744 CA LYS B 31 17.328 -6.879 1.257 1.00 0.26 C ATOM 2745 C LYS B 31 17.450 -7.045 -0.257 1.00 0.25 C ATOM 2746 O LYS B 31 16.996 -6.203 -1.026 1.00 0.28 O ATOM 2747 CB LYS B 31 18.719 -6.582 1.821 1.00 0.29 C ATOM 2748 CG LYS B 31 18.762 -6.392 3.325 1.00 0.40 C ATOM 2749 CD LYS B 31 20.179 -6.105 3.801 1.00 0.49 C ATOM 2750 CE LYS B 31 21.118 -7.259 3.475 1.00 1.20 C ATOM 2751 NZ LYS B 31 22.532 -6.941 3.800 1.00 1.72 N ATOM 0 H LYS B 31 17.298 -8.417 2.683 1.00 0.27 H new ATOM 0 HA LYS B 31 16.648 -6.055 1.476 1.00 0.26 H new ATOM 0 HB2 LYS B 31 19.388 -7.399 1.552 1.00 0.29 H new ATOM 0 HB3 LYS B 31 19.106 -5.682 1.343 1.00 0.29 H new ATOM 0 HG2 LYS B 31 18.106 -5.569 3.610 1.00 0.40 H new ATOM 0 HG3 LYS B 31 18.384 -7.287 3.819 1.00 0.40 H new ATOM 0 HD2 LYS B 31 20.545 -5.192 3.331 1.00 0.49 H new ATOM 0 HD3 LYS B 31 20.175 -5.930 4.877 1.00 0.49 H new ATOM 0 HE2 LYS B 31 20.809 -8.144 4.031 1.00 1.20 H new ATOM 0 HE3 LYS B 31 21.037 -7.503 2.416 1.00 1.20 H new ATOM 0 HZ1 LYS B 31 23.134 -7.755 3.562 1.00 1.72 H new ATOM 0 HZ2 LYS B 31 22.837 -6.112 3.251 1.00 1.72 H new ATOM 0 HZ3 LYS B 31 22.617 -6.733 4.816 1.00 1.72 H new ATOM 2765 N SER B 32 18.047 -8.151 -0.671 1.00 0.25 N ATOM 2766 CA SER B 32 18.352 -8.384 -2.074 1.00 0.27 C ATOM 2767 C SER B 32 17.076 -8.597 -2.888 1.00 0.24 C ATOM 2768 O SER B 32 16.989 -8.174 -4.044 1.00 0.27 O ATOM 2769 CB SER B 32 19.279 -9.595 -2.204 1.00 0.35 C ATOM 2770 OG SER B 32 19.782 -9.730 -3.523 1.00 1.27 O ATOM 0 H SER B 32 18.332 -8.908 -0.049 1.00 0.25 H new ATOM 0 HA SER B 32 18.854 -7.502 -2.471 1.00 0.27 H new ATOM 0 HB2 SER B 32 20.110 -9.494 -1.506 1.00 0.35 H new ATOM 0 HB3 SER B 32 18.738 -10.499 -1.926 1.00 0.35 H new ATOM 0 HG SER B 32 20.371 -10.512 -3.570 1.00 1.27 H new ATOM 2776 N GLU B 33 16.077 -9.222 -2.276 1.00 0.25 N ATOM 2777 CA GLU B 33 14.828 -9.509 -2.968 1.00 0.27 C ATOM 2778 C GLU B 33 14.057 -8.217 -3.187 1.00 0.24 C ATOM 2779 O GLU B 33 13.548 -7.956 -4.279 1.00 0.26 O ATOM 2780 CB GLU B 33 13.979 -10.502 -2.174 1.00 0.34 C ATOM 2781 CG GLU B 33 14.706 -11.790 -1.815 1.00 0.47 C ATOM 2782 CD GLU B 33 15.295 -12.502 -3.019 1.00 0.83 C ATOM 2783 OE1 GLU B 33 16.349 -12.054 -3.520 1.00 1.65 O ATOM 2784 OE2 GLU B 33 14.724 -13.520 -3.459 1.00 1.43 O ATOM 0 H GLU B 33 16.108 -9.538 -1.307 1.00 0.25 H new ATOM 0 HA GLU B 33 15.060 -9.960 -3.933 1.00 0.27 H new ATOM 0 HB2 GLU B 33 13.639 -10.021 -1.257 1.00 0.34 H new ATOM 0 HB3 GLU B 33 13.089 -10.748 -2.754 1.00 0.34 H new ATOM 0 HG2 GLU B 33 15.505 -11.564 -1.109 1.00 0.47 H new ATOM 0 HG3 GLU B 33 14.013 -12.461 -1.308 1.00 0.47 H new ATOM 2791 N LEU B 34 13.999 -7.397 -2.143 1.00 0.21 N ATOM 2792 CA LEU B 34 13.361 -6.096 -2.229 1.00 0.21 C ATOM 2793 C LEU B 34 14.116 -5.184 -3.181 1.00 0.20 C ATOM 2794 O LEU B 34 13.514 -4.400 -3.904 1.00 0.24 O ATOM 2795 CB LEU B 34 13.270 -5.450 -0.849 1.00 0.21 C ATOM 2796 CG LEU B 34 12.040 -5.833 -0.038 1.00 0.21 C ATOM 2797 CD1 LEU B 34 12.182 -5.362 1.399 1.00 0.24 C ATOM 2798 CD2 LEU B 34 10.798 -5.232 -0.678 1.00 0.21 C ATOM 0 H LEU B 34 14.389 -7.615 -1.226 1.00 0.21 H new ATOM 0 HA LEU B 34 12.353 -6.242 -2.616 1.00 0.21 H new ATOM 0 HB2 LEU B 34 14.160 -5.718 -0.280 1.00 0.21 H new ATOM 0 HB3 LEU B 34 13.284 -4.367 -0.970 1.00 0.21 H new ATOM 0 HG LEU B 34 11.944 -6.919 -0.030 1.00 0.21 H new ATOM 0 HD11 LEU B 34 11.294 -5.644 1.964 1.00 0.24 H new ATOM 0 HD12 LEU B 34 13.060 -5.825 1.849 1.00 0.24 H new ATOM 0 HD13 LEU B 34 12.294 -4.278 1.417 1.00 0.24 H new ATOM 0 HD21 LEU B 34 9.919 -5.508 -0.096 1.00 0.21 H new ATOM 0 HD22 LEU B 34 10.891 -4.146 -0.703 1.00 0.21 H new ATOM 0 HD23 LEU B 34 10.693 -5.611 -1.695 1.00 0.21 H new ATOM 2810 N LYS B 35 15.434 -5.296 -3.187 1.00 0.21 N ATOM 2811 CA LYS B 35 16.247 -4.471 -4.057 1.00 0.26 C ATOM 2812 C LYS B 35 15.884 -4.712 -5.510 1.00 0.22 C ATOM 2813 O LYS B 35 15.605 -3.771 -6.239 1.00 0.24 O ATOM 2814 CB LYS B 35 17.738 -4.716 -3.826 1.00 0.37 C ATOM 2815 CG LYS B 35 18.619 -3.685 -4.514 1.00 0.54 C ATOM 2816 CD LYS B 35 20.043 -3.721 -3.991 1.00 0.68 C ATOM 2817 CE LYS B 35 20.709 -5.047 -4.299 1.00 0.61 C ATOM 2818 NZ LYS B 35 22.066 -5.145 -3.707 1.00 0.95 N ATOM 0 H LYS B 35 15.959 -5.947 -2.602 1.00 0.21 H new ATOM 0 HA LYS B 35 16.042 -3.428 -3.815 1.00 0.26 H new ATOM 0 HB2 LYS B 35 17.942 -4.704 -2.755 1.00 0.37 H new ATOM 0 HB3 LYS B 35 17.999 -5.710 -4.189 1.00 0.37 H new ATOM 0 HG2 LYS B 35 18.622 -3.868 -5.588 1.00 0.54 H new ATOM 0 HG3 LYS B 35 18.201 -2.690 -4.362 1.00 0.54 H new ATOM 0 HD2 LYS B 35 20.618 -2.910 -4.439 1.00 0.68 H new ATOM 0 HD3 LYS B 35 20.042 -3.554 -2.914 1.00 0.68 H new ATOM 0 HE2 LYS B 35 20.089 -5.859 -3.919 1.00 0.61 H new ATOM 0 HE3 LYS B 35 20.776 -5.175 -5.379 1.00 0.61 H new ATOM 0 HZ1 LYS B 35 22.680 -5.700 -4.336 1.00 0.95 H new ATOM 0 HZ2 LYS B 35 22.463 -4.191 -3.589 1.00 0.95 H new ATOM 0 HZ3 LYS B 35 22.007 -5.613 -2.780 1.00 0.95 H new ATOM 2832 N GLU B 36 15.851 -5.970 -5.930 1.00 0.22 N ATOM 2833 CA GLU B 36 15.456 -6.281 -7.296 1.00 0.24 C ATOM 2834 C GLU B 36 14.006 -5.891 -7.550 1.00 0.25 C ATOM 2835 O GLU B 36 13.649 -5.508 -8.658 1.00 0.32 O ATOM 2836 CB GLU B 36 15.679 -7.748 -7.620 1.00 0.28 C ATOM 2837 CG GLU B 36 17.080 -8.033 -8.135 1.00 0.65 C ATOM 2838 CD GLU B 36 17.357 -9.504 -8.326 1.00 0.77 C ATOM 2839 OE1 GLU B 36 17.059 -10.035 -9.415 1.00 1.30 O ATOM 2840 OE2 GLU B 36 17.889 -10.137 -7.390 1.00 1.48 O ATOM 0 H GLU B 36 16.089 -6.779 -5.355 1.00 0.22 H new ATOM 0 HA GLU B 36 16.090 -5.692 -7.959 1.00 0.24 H new ATOM 0 HB2 GLU B 36 15.498 -8.344 -6.726 1.00 0.28 H new ATOM 0 HB3 GLU B 36 14.951 -8.065 -8.367 1.00 0.28 H new ATOM 0 HG2 GLU B 36 17.223 -7.517 -9.084 1.00 0.65 H new ATOM 0 HG3 GLU B 36 17.808 -7.621 -7.436 1.00 0.65 H new ATOM 2847 N LEU B 37 13.182 -5.974 -6.517 1.00 0.23 N ATOM 2848 CA LEU B 37 11.803 -5.515 -6.603 1.00 0.26 C ATOM 2849 C LEU B 37 11.773 -4.045 -7.016 1.00 0.22 C ATOM 2850 O LEU B 37 11.188 -3.675 -8.037 1.00 0.22 O ATOM 2851 CB LEU B 37 11.119 -5.662 -5.244 1.00 0.32 C ATOM 2852 CG LEU B 37 9.597 -5.579 -5.258 1.00 0.41 C ATOM 2853 CD1 LEU B 37 8.995 -6.961 -5.435 1.00 0.34 C ATOM 2854 CD2 LEU B 37 9.086 -4.926 -3.983 1.00 0.74 C ATOM 0 H LEU B 37 13.444 -6.355 -5.608 1.00 0.23 H new ATOM 0 HA LEU B 37 11.278 -6.118 -7.344 1.00 0.26 H new ATOM 0 HB2 LEU B 37 11.408 -6.621 -4.814 1.00 0.32 H new ATOM 0 HB3 LEU B 37 11.501 -4.887 -4.580 1.00 0.32 H new ATOM 0 HG LEU B 37 9.290 -4.961 -6.102 1.00 0.41 H new ATOM 0 HD11 LEU B 37 7.908 -6.886 -5.443 1.00 0.34 H new ATOM 0 HD12 LEU B 37 9.336 -7.388 -6.378 1.00 0.34 H new ATOM 0 HD13 LEU B 37 9.308 -7.603 -4.611 1.00 0.34 H new ATOM 0 HD21 LEU B 37 7.998 -4.875 -4.011 1.00 0.74 H new ATOM 0 HD22 LEU B 37 9.400 -5.515 -3.121 1.00 0.74 H new ATOM 0 HD23 LEU B 37 9.494 -3.919 -3.901 1.00 0.74 H new ATOM 2866 N LEU B 38 12.442 -3.220 -6.219 1.00 0.19 N ATOM 2867 CA LEU B 38 12.452 -1.781 -6.421 1.00 0.19 C ATOM 2868 C LEU B 38 13.293 -1.366 -7.633 1.00 0.19 C ATOM 2869 O LEU B 38 12.910 -0.471 -8.366 1.00 0.21 O ATOM 2870 CB LEU B 38 12.944 -1.069 -5.158 1.00 0.19 C ATOM 2871 CG LEU B 38 11.919 -0.971 -4.021 1.00 0.19 C ATOM 2872 CD1 LEU B 38 12.314 -1.862 -2.858 1.00 0.20 C ATOM 2873 CD2 LEU B 38 11.782 0.471 -3.564 1.00 0.20 C ATOM 0 H LEU B 38 12.991 -3.531 -5.417 1.00 0.19 H new ATOM 0 HA LEU B 38 11.425 -1.478 -6.627 1.00 0.19 H new ATOM 0 HB2 LEU B 38 13.826 -1.591 -4.786 1.00 0.19 H new ATOM 0 HB3 LEU B 38 13.260 -0.061 -5.428 1.00 0.19 H new ATOM 0 HG LEU B 38 10.955 -1.314 -4.396 1.00 0.19 H new ATOM 0 HD11 LEU B 38 11.572 -1.775 -2.065 1.00 0.20 H new ATOM 0 HD12 LEU B 38 12.366 -2.898 -3.194 1.00 0.20 H new ATOM 0 HD13 LEU B 38 13.288 -1.554 -2.479 1.00 0.20 H new ATOM 0 HD21 LEU B 38 11.052 0.529 -2.757 1.00 0.20 H new ATOM 0 HD22 LEU B 38 12.746 0.833 -3.208 1.00 0.20 H new ATOM 0 HD23 LEU B 38 11.449 1.087 -4.399 1.00 0.20 H new ATOM 2885 N THR B 39 14.421 -2.023 -7.861 1.00 0.20 N ATOM 2886 CA THR B 39 15.303 -1.647 -8.969 1.00 0.22 C ATOM 2887 C THR B 39 14.632 -1.861 -10.319 1.00 0.23 C ATOM 2888 O THR B 39 14.908 -1.148 -11.284 1.00 0.27 O ATOM 2889 CB THR B 39 16.623 -2.444 -8.949 1.00 0.25 C ATOM 2890 OG1 THR B 39 16.351 -3.847 -8.892 1.00 0.30 O ATOM 2891 CG2 THR B 39 17.472 -2.055 -7.761 1.00 0.27 C ATOM 0 H THR B 39 14.749 -2.811 -7.303 1.00 0.20 H new ATOM 0 HA THR B 39 15.519 -0.587 -8.833 1.00 0.22 H new ATOM 0 HB THR B 39 17.168 -2.211 -9.864 1.00 0.25 H new ATOM 0 HG1 THR B 39 17.180 -4.347 -9.041 1.00 0.30 H new ATOM 0 HG21 THR B 39 18.397 -2.632 -7.770 1.00 0.27 H new ATOM 0 HG22 THR B 39 17.707 -0.992 -7.814 1.00 0.27 H new ATOM 0 HG23 THR B 39 16.926 -2.261 -6.840 1.00 0.27 H new ATOM 2899 N ARG B 40 13.758 -2.848 -10.380 1.00 0.24 N ATOM 2900 CA ARG B 40 13.114 -3.215 -11.625 1.00 0.27 C ATOM 2901 C ARG B 40 11.808 -2.451 -11.829 1.00 0.27 C ATOM 2902 O ARG B 40 11.592 -1.865 -12.886 1.00 0.30 O ATOM 2903 CB ARG B 40 12.866 -4.718 -11.648 1.00 0.31 C ATOM 2904 CG ARG B 40 14.147 -5.539 -11.615 1.00 0.34 C ATOM 2905 CD ARG B 40 14.958 -5.379 -12.888 1.00 0.44 C ATOM 2906 NE ARG B 40 14.369 -6.112 -14.008 1.00 0.64 N ATOM 2907 CZ ARG B 40 14.217 -5.616 -15.235 1.00 0.87 C ATOM 2908 NH1 ARG B 40 14.562 -4.362 -15.501 1.00 1.22 N ATOM 2909 NH2 ARG B 40 13.712 -6.381 -16.194 1.00 1.06 N ATOM 0 H ARG B 40 13.477 -3.412 -9.577 1.00 0.24 H new ATOM 0 HA ARG B 40 13.778 -2.946 -12.447 1.00 0.27 H new ATOM 0 HB2 ARG B 40 12.246 -4.990 -10.794 1.00 0.31 H new ATOM 0 HB3 ARG B 40 12.302 -4.973 -12.545 1.00 0.31 H new ATOM 0 HG2 ARG B 40 14.751 -5.235 -10.760 1.00 0.34 H new ATOM 0 HG3 ARG B 40 13.900 -6.591 -11.472 1.00 0.34 H new ATOM 0 HD2 ARG B 40 15.028 -4.322 -13.143 1.00 0.44 H new ATOM 0 HD3 ARG B 40 15.975 -5.733 -12.717 1.00 0.44 H new ATOM 0 HE ARG B 40 14.053 -7.067 -13.838 1.00 0.64 H new ATOM 0 HH11 ARG B 40 14.946 -3.771 -14.764 1.00 1.22 H new ATOM 0 HH12 ARG B 40 14.443 -3.989 -16.443 1.00 1.22 H new ATOM 0 HH21 ARG B 40 13.442 -7.343 -15.990 1.00 1.06 H new ATOM 0 HH22 ARG B 40 13.593 -6.007 -17.135 1.00 1.06 H new ATOM 2923 N GLU B 41 10.939 -2.450 -10.823 1.00 0.27 N ATOM 2924 CA GLU B 41 9.630 -1.824 -10.976 1.00 0.30 C ATOM 2925 C GLU B 41 9.556 -0.431 -10.359 1.00 0.34 C ATOM 2926 O GLU B 41 8.748 0.385 -10.792 1.00 0.46 O ATOM 2927 CB GLU B 41 8.520 -2.693 -10.389 1.00 0.36 C ATOM 2928 CG GLU B 41 7.619 -3.305 -11.453 1.00 0.45 C ATOM 2929 CD GLU B 41 8.130 -4.637 -11.965 1.00 0.83 C ATOM 2930 OE1 GLU B 41 8.923 -4.639 -12.929 1.00 1.54 O ATOM 2931 OE2 GLU B 41 7.721 -5.688 -11.430 1.00 1.59 O ATOM 0 H GLU B 41 11.112 -2.868 -9.909 1.00 0.27 H new ATOM 0 HA GLU B 41 9.484 -1.722 -12.051 1.00 0.30 H new ATOM 0 HB2 GLU B 41 8.966 -3.491 -9.796 1.00 0.36 H new ATOM 0 HB3 GLU B 41 7.915 -2.091 -9.711 1.00 0.36 H new ATOM 0 HG2 GLU B 41 6.619 -3.440 -11.041 1.00 0.45 H new ATOM 0 HG3 GLU B 41 7.529 -2.611 -12.289 1.00 0.45 H new ATOM 2938 N LEU B 42 10.388 -0.139 -9.365 1.00 0.27 N ATOM 2939 CA LEU B 42 10.297 1.154 -8.676 1.00 0.28 C ATOM 2940 C LEU B 42 11.584 1.989 -8.786 1.00 0.27 C ATOM 2941 O LEU B 42 12.024 2.551 -7.787 1.00 0.26 O ATOM 2942 CB LEU B 42 9.991 0.951 -7.184 1.00 0.27 C ATOM 2943 CG LEU B 42 8.752 0.121 -6.852 1.00 0.27 C ATOM 2944 CD1 LEU B 42 9.104 -1.351 -6.770 1.00 0.26 C ATOM 2945 CD2 LEU B 42 8.146 0.597 -5.543 1.00 0.32 C ATOM 0 H LEU B 42 11.119 -0.761 -9.020 1.00 0.27 H new ATOM 0 HA LEU B 42 9.491 1.695 -9.171 1.00 0.28 H new ATOM 0 HB2 LEU B 42 10.855 0.476 -6.719 1.00 0.27 H new ATOM 0 HB3 LEU B 42 9.879 1.932 -6.721 1.00 0.27 H new ATOM 0 HG LEU B 42 8.018 0.251 -7.648 1.00 0.27 H new ATOM 0 HD11 LEU B 42 8.209 -1.926 -6.533 1.00 0.26 H new ATOM 0 HD12 LEU B 42 9.506 -1.683 -7.727 1.00 0.26 H new ATOM 0 HD13 LEU B 42 9.851 -1.504 -5.991 1.00 0.26 H new ATOM 0 HD21 LEU B 42 7.263 0.001 -5.313 1.00 0.32 H new ATOM 0 HD22 LEU B 42 8.877 0.487 -4.742 1.00 0.32 H new ATOM 0 HD23 LEU B 42 7.862 1.646 -5.633 1.00 0.32 H new ATOM 2957 N PRO B 43 12.195 2.133 -9.983 1.00 0.31 N ATOM 2958 CA PRO B 43 13.463 2.858 -10.119 1.00 0.33 C ATOM 2959 C PRO B 43 13.322 4.326 -9.730 1.00 0.33 C ATOM 2960 O PRO B 43 14.229 4.920 -9.140 1.00 0.36 O ATOM 2961 CB PRO B 43 13.807 2.731 -11.605 1.00 0.41 C ATOM 2962 CG PRO B 43 12.962 1.612 -12.110 1.00 0.51 C ATOM 2963 CD PRO B 43 11.715 1.641 -11.281 1.00 0.35 C ATOM 0 HA PRO B 43 14.233 2.452 -9.463 1.00 0.33 H new ATOM 0 HB2 PRO B 43 13.593 3.657 -12.139 1.00 0.41 H new ATOM 0 HB3 PRO B 43 14.867 2.519 -11.747 1.00 0.41 H new ATOM 0 HG2 PRO B 43 12.732 1.741 -13.168 1.00 0.51 H new ATOM 0 HG3 PRO B 43 13.477 0.656 -12.010 1.00 0.51 H new ATOM 0 HD2 PRO B 43 10.961 2.301 -11.709 1.00 0.35 H new ATOM 0 HD3 PRO B 43 11.263 0.653 -11.196 1.00 0.35 H new ATOM 2971 N SER B 44 12.171 4.904 -10.052 1.00 0.36 N ATOM 2972 CA SER B 44 11.887 6.286 -9.708 1.00 0.39 C ATOM 2973 C SER B 44 11.783 6.456 -8.197 1.00 0.35 C ATOM 2974 O SER B 44 12.210 7.468 -7.647 1.00 0.40 O ATOM 2975 CB SER B 44 10.588 6.734 -10.373 1.00 0.46 C ATOM 2976 OG SER B 44 10.639 6.539 -11.776 1.00 1.09 O ATOM 0 H SER B 44 11.418 4.432 -10.553 1.00 0.36 H new ATOM 0 HA SER B 44 12.707 6.906 -10.070 1.00 0.39 H new ATOM 0 HB2 SER B 44 9.751 6.175 -9.955 1.00 0.46 H new ATOM 0 HB3 SER B 44 10.409 7.787 -10.155 1.00 0.46 H new ATOM 0 HG SER B 44 9.795 6.832 -12.178 1.00 1.09 H new ATOM 2982 N PHE B 45 11.246 5.438 -7.530 1.00 0.30 N ATOM 2983 CA PHE B 45 11.048 5.468 -6.085 1.00 0.28 C ATOM 2984 C PHE B 45 12.333 5.150 -5.344 1.00 0.28 C ATOM 2985 O PHE B 45 12.298 4.806 -4.175 1.00 0.27 O ATOM 2986 CB PHE B 45 9.978 4.457 -5.661 1.00 0.31 C ATOM 2987 CG PHE B 45 8.631 4.676 -6.282 1.00 0.28 C ATOM 2988 CD1 PHE B 45 7.735 5.569 -5.722 1.00 1.17 C ATOM 2989 CD2 PHE B 45 8.256 3.972 -7.413 1.00 1.28 C ATOM 2990 CE1 PHE B 45 6.488 5.757 -6.280 1.00 1.18 C ATOM 2991 CE2 PHE B 45 7.011 4.154 -7.974 1.00 1.34 C ATOM 2992 CZ PHE B 45 6.125 5.045 -7.409 1.00 0.47 C ATOM 0 H PHE B 45 10.937 4.573 -7.974 1.00 0.30 H new ATOM 0 HA PHE B 45 10.726 6.477 -5.830 1.00 0.28 H new ATOM 0 HB2 PHE B 45 10.322 3.455 -5.916 1.00 0.31 H new ATOM 0 HB3 PHE B 45 9.874 4.492 -4.577 1.00 0.31 H new ATOM 0 HD1 PHE B 45 8.015 6.124 -4.839 1.00 1.17 H new ATOM 0 HD2 PHE B 45 8.947 3.273 -7.860 1.00 1.28 H new ATOM 0 HE1 PHE B 45 5.797 6.458 -5.837 1.00 1.18 H new ATOM 0 HE2 PHE B 45 6.730 3.598 -8.856 1.00 1.34 H new ATOM 0 HZ PHE B 45 5.148 5.187 -7.847 1.00 0.47 H new ATOM 3002 N LEU B 46 13.465 5.264 -6.004 1.00 0.32 N ATOM 3003 CA LEU B 46 14.729 5.091 -5.314 1.00 0.33 C ATOM 3004 C LEU B 46 15.359 6.450 -5.044 1.00 0.39 C ATOM 3005 O LEU B 46 16.189 6.598 -4.147 1.00 0.47 O ATOM 3006 CB LEU B 46 15.682 4.191 -6.108 1.00 0.35 C ATOM 3007 CG LEU B 46 15.105 2.826 -6.513 1.00 0.32 C ATOM 3008 CD1 LEU B 46 16.219 1.865 -6.890 1.00 0.41 C ATOM 3009 CD2 LEU B 46 14.225 2.248 -5.407 1.00 0.30 C ATOM 0 H LEU B 46 13.539 5.472 -7.000 1.00 0.32 H new ATOM 0 HA LEU B 46 14.537 4.596 -4.362 1.00 0.33 H new ATOM 0 HB2 LEU B 46 15.989 4.720 -7.010 1.00 0.35 H new ATOM 0 HB3 LEU B 46 16.581 4.026 -5.514 1.00 0.35 H new ATOM 0 HG LEU B 46 14.474 2.971 -7.390 1.00 0.32 H new ATOM 0 HD11 LEU B 46 15.790 0.904 -7.174 1.00 0.41 H new ATOM 0 HD12 LEU B 46 16.783 2.273 -7.729 1.00 0.41 H new ATOM 0 HD13 LEU B 46 16.885 1.728 -6.038 1.00 0.41 H new ATOM 0 HD21 LEU B 46 13.831 1.282 -5.723 1.00 0.30 H new ATOM 0 HD22 LEU B 46 14.817 2.120 -4.501 1.00 0.30 H new ATOM 0 HD23 LEU B 46 13.398 2.929 -5.207 1.00 0.30 H new ATOM 3021 N GLY B 47 14.935 7.446 -5.821 1.00 0.41 N ATOM 3022 CA GLY B 47 15.451 8.806 -5.699 1.00 0.49 C ATOM 3023 C GLY B 47 16.898 8.943 -6.138 1.00 0.53 C ATOM 3024 O GLY B 47 17.289 9.964 -6.704 1.00 0.60 O ATOM 0 H GLY B 47 14.229 7.333 -6.548 1.00 0.41 H new ATOM 0 HA2 GLY B 47 14.833 9.476 -6.296 1.00 0.49 H new ATOM 0 HA3 GLY B 47 15.361 9.129 -4.662 1.00 0.49 H new ATOM 3028 N LYS B 48 17.680 7.906 -5.899 1.00 0.54 N ATOM 3029 CA LYS B 48 19.049 7.831 -6.373 1.00 0.67 C ATOM 3030 C LYS B 48 19.307 6.449 -6.951 1.00 0.70 C ATOM 3031 O LYS B 48 19.225 6.246 -8.164 1.00 1.18 O ATOM 3032 CB LYS B 48 20.036 8.116 -5.237 1.00 0.82 C ATOM 3033 CG LYS B 48 19.970 9.537 -4.715 1.00 1.41 C ATOM 3034 CD LYS B 48 20.368 10.545 -5.779 1.00 2.04 C ATOM 3035 CE LYS B 48 20.302 11.968 -5.252 1.00 2.61 C ATOM 3036 NZ LYS B 48 21.166 12.157 -4.057 1.00 3.21 N ATOM 0 H LYS B 48 17.381 7.088 -5.368 1.00 0.54 H new ATOM 0 HA LYS B 48 19.195 8.585 -7.146 1.00 0.67 H new ATOM 0 HB2 LYS B 48 19.840 7.427 -4.415 1.00 0.82 H new ATOM 0 HB3 LYS B 48 21.048 7.914 -5.588 1.00 0.82 H new ATOM 0 HG2 LYS B 48 18.958 9.752 -4.371 1.00 1.41 H new ATOM 0 HG3 LYS B 48 20.629 9.639 -3.853 1.00 1.41 H new ATOM 0 HD2 LYS B 48 21.379 10.331 -6.124 1.00 2.04 H new ATOM 0 HD3 LYS B 48 19.709 10.445 -6.641 1.00 2.04 H new ATOM 0 HE2 LYS B 48 20.610 12.660 -6.036 1.00 2.61 H new ATOM 0 HE3 LYS B 48 19.271 12.213 -4.997 1.00 2.61 H new ATOM 0 HZ1 LYS B 48 21.665 13.067 -4.130 1.00 3.21 H new ATOM 0 HZ2 LYS B 48 20.578 12.152 -3.199 1.00 3.21 H new ATOM 0 HZ3 LYS B 48 21.861 11.385 -4.005 1.00 3.21 H new ATOM 3050 N ARG B 49 19.549 5.500 -6.056 1.00 0.54 N ATOM 3051 CA ARG B 49 19.849 4.119 -6.414 1.00 0.54 C ATOM 3052 C ARG B 49 20.132 3.326 -5.139 1.00 0.51 C ATOM 3053 O ARG B 49 20.490 3.905 -4.112 1.00 0.55 O ATOM 3054 CB ARG B 49 21.050 4.043 -7.370 1.00 0.66 C ATOM 3055 CG ARG B 49 21.350 2.639 -7.872 1.00 0.74 C ATOM 3056 CD ARG B 49 20.152 2.026 -8.583 1.00 0.73 C ATOM 3057 NE ARG B 49 20.398 0.642 -8.971 1.00 1.28 N ATOM 3058 CZ ARG B 49 19.659 -0.032 -9.849 1.00 1.46 C ATOM 3059 NH1 ARG B 49 18.607 0.540 -10.428 1.00 1.43 N ATOM 3060 NH2 ARG B 49 19.961 -1.286 -10.146 1.00 2.26 N ATOM 0 H ARG B 49 19.543 5.669 -5.050 1.00 0.54 H new ATOM 0 HA ARG B 49 18.990 3.691 -6.931 1.00 0.54 H new ATOM 0 HB2 ARG B 49 20.863 4.692 -8.226 1.00 0.66 H new ATOM 0 HB3 ARG B 49 21.932 4.433 -6.862 1.00 0.66 H new ATOM 0 HG2 ARG B 49 22.200 2.670 -8.553 1.00 0.74 H new ATOM 0 HG3 ARG B 49 21.637 2.006 -7.032 1.00 0.74 H new ATOM 0 HD2 ARG B 49 19.281 2.070 -7.930 1.00 0.73 H new ATOM 0 HD3 ARG B 49 19.916 2.615 -9.469 1.00 0.73 H new ATOM 0 HE ARG B 49 21.187 0.159 -8.542 1.00 1.28 H new ATOM 0 HH11 ARG B 49 18.361 1.503 -10.200 1.00 1.43 H new ATOM 0 HH12 ARG B 49 18.047 0.015 -11.100 1.00 1.43 H new ATOM 0 HH21 ARG B 49 20.761 -1.737 -9.702 1.00 2.26 H new ATOM 0 HH22 ARG B 49 19.394 -1.801 -10.819 1.00 2.26 H new ATOM 3074 N THR B 50 19.962 2.018 -5.205 1.00 0.51 N ATOM 3075 CA THR B 50 20.131 1.161 -4.051 1.00 0.51 C ATOM 3076 C THR B 50 21.603 0.879 -3.749 1.00 0.61 C ATOM 3077 O THR B 50 22.285 0.192 -4.511 1.00 0.82 O ATOM 3078 CB THR B 50 19.378 -0.155 -4.266 1.00 0.57 C ATOM 3079 OG1 THR B 50 19.582 -0.611 -5.613 1.00 0.69 O ATOM 3080 CG2 THR B 50 17.889 0.027 -4.005 1.00 0.57 C ATOM 0 H THR B 50 19.704 1.523 -6.059 1.00 0.51 H new ATOM 0 HA THR B 50 19.719 1.687 -3.190 1.00 0.51 H new ATOM 0 HB THR B 50 19.763 -0.896 -3.565 1.00 0.57 H new ATOM 0 HG1 THR B 50 20.536 -0.563 -5.834 1.00 0.69 H new ATOM 0 HG21 THR B 50 17.373 -0.920 -4.164 1.00 0.57 H new ATOM 0 HG22 THR B 50 17.737 0.355 -2.977 1.00 0.57 H new ATOM 0 HG23 THR B 50 17.489 0.777 -4.688 1.00 0.57 H new ATOM 3088 N ASP B 51 22.085 1.434 -2.642 1.00 0.58 N ATOM 3089 CA ASP B 51 23.437 1.162 -2.163 1.00 0.72 C ATOM 3090 C ASP B 51 23.401 0.036 -1.138 1.00 0.60 C ATOM 3091 O ASP B 51 22.384 -0.165 -0.468 1.00 0.58 O ATOM 3092 CB ASP B 51 24.060 2.410 -1.526 1.00 0.91 C ATOM 3093 CG ASP B 51 24.259 3.548 -2.507 1.00 1.35 C ATOM 3094 OD1 ASP B 51 25.010 3.373 -3.489 1.00 1.91 O ATOM 3095 OD2 ASP B 51 23.692 4.640 -2.282 1.00 1.98 O ATOM 0 H ASP B 51 21.556 2.079 -2.056 1.00 0.58 H new ATOM 0 HA ASP B 51 24.048 0.869 -3.017 1.00 0.72 H new ATOM 0 HB2 ASP B 51 23.422 2.750 -0.710 1.00 0.91 H new ATOM 0 HB3 ASP B 51 25.022 2.144 -1.088 1.00 0.91 H new ATOM 3100 N GLU B 52 24.508 -0.682 -1.000 1.00 0.68 N ATOM 3101 CA GLU B 52 24.564 -1.835 -0.106 1.00 0.66 C ATOM 3102 C GLU B 52 24.500 -1.407 1.359 1.00 0.55 C ATOM 3103 O GLU B 52 23.720 -1.959 2.142 1.00 0.50 O ATOM 3104 CB GLU B 52 25.834 -2.653 -0.355 1.00 0.83 C ATOM 3105 CG GLU B 52 25.932 -3.206 -1.767 1.00 1.57 C ATOM 3106 CD GLU B 52 24.675 -3.936 -2.192 1.00 2.22 C ATOM 3107 OE1 GLU B 52 24.439 -5.067 -1.710 1.00 2.79 O ATOM 3108 OE2 GLU B 52 23.914 -3.383 -3.009 1.00 2.89 O ATOM 0 H GLU B 52 25.379 -0.488 -1.494 1.00 0.68 H new ATOM 0 HA GLU B 52 23.694 -2.457 -0.320 1.00 0.66 H new ATOM 0 HB2 GLU B 52 26.704 -2.027 -0.157 1.00 0.83 H new ATOM 0 HB3 GLU B 52 25.869 -3.480 0.354 1.00 0.83 H new ATOM 0 HG2 GLU B 52 26.126 -2.388 -2.461 1.00 1.57 H new ATOM 0 HG3 GLU B 52 26.782 -3.886 -1.829 1.00 1.57 H new ATOM 3115 N ALA B 53 25.302 -0.412 1.720 1.00 0.58 N ATOM 3116 CA ALA B 53 25.351 0.074 3.095 1.00 0.58 C ATOM 3117 C ALA B 53 24.094 0.864 3.442 1.00 0.53 C ATOM 3118 O ALA B 53 23.843 1.181 4.603 1.00 0.58 O ATOM 3119 CB ALA B 53 26.593 0.922 3.317 1.00 0.70 C ATOM 0 H ALA B 53 25.928 0.075 1.079 1.00 0.58 H new ATOM 0 HA ALA B 53 25.399 -0.791 3.757 1.00 0.58 H new ATOM 0 HB1 ALA B 53 26.613 1.276 4.348 1.00 0.70 H new ATOM 0 HB2 ALA B 53 27.482 0.323 3.122 1.00 0.70 H new ATOM 0 HB3 ALA B 53 26.576 1.777 2.641 1.00 0.70 H new ATOM 3125 N ALA B 54 23.312 1.183 2.424 1.00 0.52 N ATOM 3126 CA ALA B 54 22.042 1.858 2.622 1.00 0.51 C ATOM 3127 C ALA B 54 20.932 0.839 2.816 1.00 0.39 C ATOM 3128 O ALA B 54 20.021 1.041 3.612 1.00 0.35 O ATOM 3129 CB ALA B 54 21.722 2.739 1.431 1.00 0.63 C ATOM 0 H ALA B 54 23.536 0.984 1.449 1.00 0.52 H new ATOM 0 HA ALA B 54 22.117 2.480 3.514 1.00 0.51 H new ATOM 0 HB1 ALA B 54 20.767 3.238 1.594 1.00 0.63 H new ATOM 0 HB2 ALA B 54 22.506 3.486 1.310 1.00 0.63 H new ATOM 0 HB3 ALA B 54 21.662 2.127 0.531 1.00 0.63 H new ATOM 3135 N PHE B 55 21.017 -0.261 2.083 1.00 0.38 N ATOM 3136 CA PHE B 55 19.976 -1.277 2.122 1.00 0.32 C ATOM 3137 C PHE B 55 19.974 -2.036 3.446 1.00 0.31 C ATOM 3138 O PHE B 55 18.932 -2.524 3.881 1.00 0.31 O ATOM 3139 CB PHE B 55 20.118 -2.253 0.958 1.00 0.41 C ATOM 3140 CG PHE B 55 18.797 -2.582 0.330 1.00 0.36 C ATOM 3141 CD1 PHE B 55 17.825 -3.263 1.044 1.00 1.25 C ATOM 3142 CD2 PHE B 55 18.517 -2.183 -0.962 1.00 1.23 C ATOM 3143 CE1 PHE B 55 16.599 -3.546 0.477 1.00 1.22 C ATOM 3144 CE2 PHE B 55 17.293 -2.458 -1.535 1.00 1.30 C ATOM 3145 CZ PHE B 55 16.333 -3.142 -0.815 1.00 0.46 C ATOM 0 H PHE B 55 21.793 -0.473 1.456 1.00 0.38 H new ATOM 0 HA PHE B 55 19.022 -0.758 2.030 1.00 0.32 H new ATOM 0 HB2 PHE B 55 20.779 -1.824 0.205 1.00 0.41 H new ATOM 0 HB3 PHE B 55 20.589 -3.170 1.311 1.00 0.41 H new ATOM 0 HD1 PHE B 55 18.029 -3.576 2.057 1.00 1.25 H new ATOM 0 HD2 PHE B 55 19.265 -1.650 -1.530 1.00 1.23 H new ATOM 0 HE1 PHE B 55 15.851 -4.082 1.042 1.00 1.22 H new ATOM 0 HE2 PHE B 55 17.085 -2.139 -2.546 1.00 1.30 H new ATOM 0 HZ PHE B 55 15.375 -3.360 -1.263 1.00 0.46 H new ATOM 3155 N GLN B 56 21.134 -2.134 4.092 1.00 0.35 N ATOM 3156 CA GLN B 56 21.204 -2.752 5.414 1.00 0.41 C ATOM 3157 C GLN B 56 20.389 -1.935 6.411 1.00 0.42 C ATOM 3158 O GLN B 56 19.862 -2.459 7.395 1.00 0.52 O ATOM 3159 CB GLN B 56 22.655 -2.881 5.887 1.00 0.51 C ATOM 3160 CG GLN B 56 23.404 -1.563 5.934 1.00 0.53 C ATOM 3161 CD GLN B 56 24.833 -1.722 6.408 1.00 0.69 C ATOM 3162 OE1 GLN B 56 25.739 -1.962 5.612 1.00 1.15 O ATOM 3163 NE2 GLN B 56 25.045 -1.588 7.707 1.00 1.53 N ATOM 0 H GLN B 56 22.026 -1.799 3.728 1.00 0.35 H new ATOM 0 HA GLN B 56 20.785 -3.756 5.348 1.00 0.41 H new ATOM 0 HB2 GLN B 56 22.665 -3.329 6.881 1.00 0.51 H new ATOM 0 HB3 GLN B 56 23.184 -3.565 5.224 1.00 0.51 H new ATOM 0 HG2 GLN B 56 23.402 -1.113 4.941 1.00 0.53 H new ATOM 0 HG3 GLN B 56 22.880 -0.875 6.597 1.00 0.53 H new ATOM 0 HE21 GLN B 56 24.265 -1.389 8.333 1.00 1.53 H new ATOM 0 HE22 GLN B 56 25.989 -1.684 8.082 1.00 1.53 H new ATOM 3172 N LYS B 57 20.280 -0.644 6.135 1.00 0.36 N ATOM 3173 CA LYS B 57 19.436 0.241 6.915 1.00 0.39 C ATOM 3174 C LYS B 57 18.006 0.139 6.412 1.00 0.34 C ATOM 3175 O LYS B 57 17.073 -0.037 7.190 1.00 0.41 O ATOM 3176 CB LYS B 57 19.930 1.681 6.789 1.00 0.44 C ATOM 3177 CG LYS B 57 21.387 1.859 7.177 1.00 0.54 C ATOM 3178 CD LYS B 57 21.885 3.246 6.814 1.00 0.61 C ATOM 3179 CE LYS B 57 23.374 3.385 7.081 1.00 0.79 C ATOM 3180 NZ LYS B 57 23.891 4.711 6.654 1.00 1.27 N ATOM 0 H LYS B 57 20.772 -0.185 5.368 1.00 0.36 H new ATOM 0 HA LYS B 57 19.476 -0.052 7.964 1.00 0.39 H new ATOM 0 HB2 LYS B 57 19.793 2.015 5.760 1.00 0.44 H new ATOM 0 HB3 LYS B 57 19.314 2.324 7.417 1.00 0.44 H new ATOM 0 HG2 LYS B 57 21.503 1.697 8.249 1.00 0.54 H new ATOM 0 HG3 LYS B 57 21.995 1.108 6.673 1.00 0.54 H new ATOM 0 HD2 LYS B 57 21.682 3.444 5.761 1.00 0.61 H new ATOM 0 HD3 LYS B 57 21.339 3.993 7.390 1.00 0.61 H new ATOM 0 HE2 LYS B 57 23.567 3.245 8.145 1.00 0.79 H new ATOM 0 HE3 LYS B 57 23.913 2.598 6.553 1.00 0.79 H new ATOM 0 HZ1 LYS B 57 24.910 4.767 6.853 1.00 1.27 H new ATOM 0 HZ2 LYS B 57 23.730 4.834 5.634 1.00 1.27 H new ATOM 0 HZ3 LYS B 57 23.395 5.461 7.176 1.00 1.27 H new ATOM 3194 N LEU B 58 17.865 0.221 5.090 1.00 0.27 N ATOM 3195 CA LEU B 58 16.568 0.174 4.420 1.00 0.25 C ATOM 3196 C LEU B 58 15.733 -1.017 4.872 1.00 0.24 C ATOM 3197 O LEU B 58 14.589 -0.853 5.279 1.00 0.26 O ATOM 3198 CB LEU B 58 16.756 0.108 2.906 1.00 0.22 C ATOM 3199 CG LEU B 58 15.452 0.076 2.116 1.00 0.22 C ATOM 3200 CD1 LEU B 58 14.705 1.374 2.301 1.00 0.26 C ATOM 3201 CD2 LEU B 58 15.709 -0.164 0.645 1.00 0.23 C ATOM 0 H LEU B 58 18.653 0.323 4.450 1.00 0.27 H new ATOM 0 HA LEU B 58 16.036 1.086 4.691 1.00 0.25 H new ATOM 0 HB2 LEU B 58 17.341 0.970 2.586 1.00 0.22 H new ATOM 0 HB3 LEU B 58 17.338 -0.781 2.662 1.00 0.22 H new ATOM 0 HG LEU B 58 14.847 -0.748 2.495 1.00 0.22 H new ATOM 0 HD11 LEU B 58 13.775 1.343 1.733 1.00 0.26 H new ATOM 0 HD12 LEU B 58 14.480 1.517 3.358 1.00 0.26 H new ATOM 0 HD13 LEU B 58 15.319 2.201 1.945 1.00 0.26 H new ATOM 0 HD21 LEU B 58 14.761 -0.182 0.108 1.00 0.23 H new ATOM 0 HD22 LEU B 58 16.335 0.636 0.250 1.00 0.23 H new ATOM 0 HD23 LEU B 58 16.217 -1.120 0.516 1.00 0.23 H new ATOM 3213 N MET B 59 16.309 -2.210 4.780 1.00 0.24 N ATOM 3214 CA MET B 59 15.630 -3.432 5.207 1.00 0.27 C ATOM 3215 C MET B 59 15.029 -3.282 6.598 1.00 0.34 C ATOM 3216 O MET B 59 13.845 -3.535 6.803 1.00 0.41 O ATOM 3217 CB MET B 59 16.605 -4.611 5.183 1.00 0.28 C ATOM 3218 CG MET B 59 16.148 -5.816 5.994 1.00 0.30 C ATOM 3219 SD MET B 59 14.460 -6.320 5.628 1.00 0.31 S ATOM 3220 CE MET B 59 14.595 -6.706 3.894 1.00 0.25 C ATOM 0 H MET B 59 17.249 -2.359 4.412 1.00 0.24 H new ATOM 0 HA MET B 59 14.815 -3.621 4.509 1.00 0.27 H new ATOM 0 HB2 MET B 59 16.758 -4.920 4.149 1.00 0.28 H new ATOM 0 HB3 MET B 59 17.571 -4.277 5.562 1.00 0.28 H new ATOM 0 HG2 MET B 59 16.820 -6.652 5.800 1.00 0.30 H new ATOM 0 HG3 MET B 59 16.228 -5.583 7.056 1.00 0.30 H new ATOM 0 HE1 MET B 59 13.669 -7.168 3.551 1.00 0.25 H new ATOM 0 HE2 MET B 59 14.774 -5.790 3.330 1.00 0.25 H new ATOM 0 HE3 MET B 59 15.424 -7.396 3.738 1.00 0.25 H new ATOM 3230 N SER B 60 15.834 -2.829 7.538 1.00 0.39 N ATOM 3231 CA SER B 60 15.396 -2.716 8.916 1.00 0.51 C ATOM 3232 C SER B 60 14.530 -1.472 9.106 1.00 0.44 C ATOM 3233 O SER B 60 14.013 -1.217 10.195 1.00 0.51 O ATOM 3234 CB SER B 60 16.610 -2.694 9.839 1.00 0.70 C ATOM 3235 OG SER B 60 16.226 -2.787 11.201 1.00 1.36 O ATOM 0 H SER B 60 16.796 -2.533 7.373 1.00 0.39 H new ATOM 0 HA SER B 60 14.784 -3.581 9.170 1.00 0.51 H new ATOM 0 HB2 SER B 60 17.274 -3.522 9.589 1.00 0.70 H new ATOM 0 HB3 SER B 60 17.173 -1.774 9.680 1.00 0.70 H new ATOM 0 HG SER B 60 15.381 -2.309 11.336 1.00 1.36 H new ATOM 3241 N ASN B 61 14.377 -0.701 8.038 1.00 0.37 N ATOM 3242 CA ASN B 61 13.468 0.427 8.037 1.00 0.42 C ATOM 3243 C ASN B 61 12.098 -0.039 7.590 1.00 0.44 C ATOM 3244 O ASN B 61 11.127 0.702 7.660 1.00 0.64 O ATOM 3245 CB ASN B 61 13.984 1.572 7.172 1.00 0.46 C ATOM 3246 CG ASN B 61 15.102 2.335 7.849 1.00 0.47 C ATOM 3247 OD1 ASN B 61 15.179 2.384 9.077 1.00 0.96 O ATOM 3248 ND2 ASN B 61 15.961 2.954 7.058 1.00 0.92 N ATOM 0 H ASN B 61 14.875 -0.841 7.159 1.00 0.37 H new ATOM 0 HA ASN B 61 13.396 0.822 9.051 1.00 0.42 H new ATOM 0 HB2 ASN B 61 14.340 1.176 6.221 1.00 0.46 H new ATOM 0 HB3 ASN B 61 13.164 2.254 6.947 1.00 0.46 H new ATOM 0 HD21 ASN B 61 16.724 3.498 7.460 1.00 0.92 H new ATOM 0 HD22 ASN B 61 15.861 2.887 6.045 1.00 0.92 H new ATOM 3255 N LEU B 62 12.039 -1.277 7.114 1.00 0.33 N ATOM 3256 CA LEU B 62 10.772 -1.957 6.940 1.00 0.39 C ATOM 3257 C LEU B 62 10.607 -2.970 8.050 1.00 0.54 C ATOM 3258 O LEU B 62 9.827 -2.769 8.979 1.00 1.18 O ATOM 3259 CB LEU B 62 10.691 -2.681 5.589 1.00 0.35 C ATOM 3260 CG LEU B 62 10.490 -1.792 4.370 1.00 0.25 C ATOM 3261 CD1 LEU B 62 9.328 -0.845 4.597 1.00 0.24 C ATOM 3262 CD2 LEU B 62 11.756 -1.033 4.046 1.00 0.22 C ATOM 0 H LEU B 62 12.855 -1.825 6.843 1.00 0.33 H new ATOM 0 HA LEU B 62 9.979 -1.209 6.969 1.00 0.39 H new ATOM 0 HB2 LEU B 62 11.608 -3.254 5.450 1.00 0.35 H new ATOM 0 HB3 LEU B 62 9.871 -3.398 5.631 1.00 0.35 H new ATOM 0 HG LEU B 62 10.253 -2.423 3.514 1.00 0.25 H new ATOM 0 HD11 LEU B 62 9.195 -0.215 3.718 1.00 0.24 H new ATOM 0 HD12 LEU B 62 8.419 -1.420 4.772 1.00 0.24 H new ATOM 0 HD13 LEU B 62 9.534 -0.218 5.465 1.00 0.24 H new ATOM 0 HD21 LEU B 62 11.589 -0.404 3.171 1.00 0.22 H new ATOM 0 HD22 LEU B 62 12.033 -0.408 4.895 1.00 0.22 H new ATOM 0 HD23 LEU B 62 12.560 -1.739 3.838 1.00 0.22 H new ATOM 3274 N ASP B 63 11.410 -4.022 7.968 1.00 0.31 N ATOM 3275 CA ASP B 63 11.322 -5.150 8.879 1.00 0.33 C ATOM 3276 C ASP B 63 11.565 -4.726 10.317 1.00 0.37 C ATOM 3277 O ASP B 63 12.661 -4.291 10.684 1.00 0.43 O ATOM 3278 CB ASP B 63 12.316 -6.228 8.468 1.00 0.40 C ATOM 3279 CG ASP B 63 12.386 -7.372 9.454 1.00 0.38 C ATOM 3280 OD1 ASP B 63 11.330 -7.776 9.988 1.00 1.15 O ATOM 3281 OD2 ASP B 63 13.502 -7.867 9.702 1.00 1.08 O ATOM 0 H ASP B 63 12.143 -4.115 7.265 1.00 0.31 H new ATOM 0 HA ASP B 63 10.311 -5.553 8.821 1.00 0.33 H new ATOM 0 HB2 ASP B 63 12.038 -6.616 7.488 1.00 0.40 H new ATOM 0 HB3 ASP B 63 13.305 -5.782 8.366 1.00 0.40 H new ATOM 3286 N SER B 64 10.524 -4.845 11.116 1.00 0.43 N ATOM 3287 CA SER B 64 10.576 -4.475 12.513 1.00 0.52 C ATOM 3288 C SER B 64 11.188 -5.598 13.340 1.00 0.58 C ATOM 3289 O SER B 64 11.570 -5.394 14.493 1.00 0.71 O ATOM 3290 CB SER B 64 9.165 -4.164 13.005 1.00 0.67 C ATOM 3291 OG SER B 64 9.181 -3.513 14.267 1.00 1.14 O ATOM 0 H SER B 64 9.618 -5.202 10.813 1.00 0.43 H new ATOM 0 HA SER B 64 11.202 -3.590 12.626 1.00 0.52 H new ATOM 0 HB2 SER B 64 8.656 -3.533 12.276 1.00 0.67 H new ATOM 0 HB3 SER B 64 8.593 -5.089 13.080 1.00 0.67 H new ATOM 0 HG SER B 64 10.010 -3.735 14.739 1.00 1.14 H new ATOM 3297 N ASN B 65 11.290 -6.781 12.742 1.00 0.60 N ATOM 3298 CA ASN B 65 11.812 -7.949 13.439 1.00 0.75 C ATOM 3299 C ASN B 65 13.333 -7.927 13.431 1.00 0.76 C ATOM 3300 O ASN B 65 13.977 -8.596 14.241 1.00 0.91 O ATOM 3301 CB ASN B 65 11.316 -9.245 12.787 1.00 0.89 C ATOM 3302 CG ASN B 65 9.809 -9.285 12.609 1.00 1.52 C ATOM 3303 OD1 ASN B 65 9.071 -9.688 13.510 1.00 1.87 O ATOM 3304 ND2 ASN B 65 9.340 -8.875 11.440 1.00 2.34 N ATOM 0 H ASN B 65 11.017 -6.955 11.775 1.00 0.60 H new ATOM 0 HA ASN B 65 11.452 -7.916 14.467 1.00 0.75 H new ATOM 0 HB2 ASN B 65 11.794 -9.361 11.814 1.00 0.89 H new ATOM 0 HB3 ASN B 65 11.626 -10.093 13.397 1.00 0.89 H new ATOM 0 HD21 ASN B 65 8.336 -8.886 11.261 1.00 2.34 H new ATOM 0 HD22 ASN B 65 9.983 -8.548 10.719 1.00 2.34 H new ATOM 3311 N ARG B 66 13.894 -7.155 12.499 1.00 0.68 N ATOM 3312 CA ARG B 66 15.341 -7.016 12.350 1.00 0.81 C ATOM 3313 C ARG B 66 15.963 -8.354 11.966 1.00 0.88 C ATOM 3314 O ARG B 66 17.066 -8.694 12.388 1.00 1.11 O ATOM 3315 CB ARG B 66 15.970 -6.470 13.636 1.00 1.04 C ATOM 3316 CG ARG B 66 15.427 -5.109 14.040 1.00 1.10 C ATOM 3317 CD ARG B 66 16.095 -4.594 15.300 1.00 1.39 C ATOM 3318 NE ARG B 66 15.571 -3.290 15.704 1.00 2.08 N ATOM 3319 CZ ARG B 66 16.336 -2.265 16.069 1.00 2.77 C ATOM 3320 NH1 ARG B 66 17.659 -2.388 16.073 1.00 2.86 N ATOM 3321 NH2 ARG B 66 15.783 -1.113 16.429 1.00 3.79 N ATOM 0 H ARG B 66 13.356 -6.609 11.826 1.00 0.68 H new ATOM 0 HA ARG B 66 15.540 -6.302 11.551 1.00 0.81 H new ATOM 0 HB2 ARG B 66 15.796 -7.178 14.446 1.00 1.04 H new ATOM 0 HB3 ARG B 66 17.049 -6.398 13.502 1.00 1.04 H new ATOM 0 HG2 ARG B 66 15.583 -4.399 13.228 1.00 1.10 H new ATOM 0 HG3 ARG B 66 14.351 -5.179 14.200 1.00 1.10 H new ATOM 0 HD2 ARG B 66 15.946 -5.311 16.108 1.00 1.39 H new ATOM 0 HD3 ARG B 66 17.170 -4.518 15.135 1.00 1.39 H new ATOM 0 HE ARG B 66 14.559 -3.159 15.706 1.00 2.08 H new ATOM 0 HH11 ARG B 66 18.090 -3.270 15.796 1.00 2.86 H new ATOM 0 HH12 ARG B 66 18.244 -1.601 16.353 1.00 2.86 H new ATOM 0 HH21 ARG B 66 14.768 -1.012 16.426 1.00 3.79 H new ATOM 0 HH22 ARG B 66 16.373 -0.329 16.708 1.00 3.79 H new ATOM 3335 N ASP B 67 15.259 -9.081 11.110 1.00 0.75 N ATOM 3336 CA ASP B 67 15.668 -10.412 10.693 1.00 0.88 C ATOM 3337 C ASP B 67 16.268 -10.327 9.297 1.00 0.77 C ATOM 3338 O ASP B 67 16.696 -11.325 8.714 1.00 0.96 O ATOM 3339 CB ASP B 67 14.461 -11.355 10.715 1.00 1.00 C ATOM 3340 CG ASP B 67 14.822 -12.799 10.424 1.00 1.39 C ATOM 3341 OD1 ASP B 67 15.937 -13.230 10.788 1.00 1.95 O ATOM 3342 OD2 ASP B 67 13.971 -13.521 9.861 1.00 1.93 O ATOM 0 H ASP B 67 14.388 -8.763 10.685 1.00 0.75 H new ATOM 0 HA ASP B 67 16.418 -10.808 11.378 1.00 0.88 H new ATOM 0 HB2 ASP B 67 13.982 -11.298 11.692 1.00 1.00 H new ATOM 0 HB3 ASP B 67 13.730 -11.016 9.981 1.00 1.00 H new ATOM 3347 N ASN B 68 16.272 -9.103 8.772 1.00 0.62 N ATOM 3348 CA ASN B 68 16.900 -8.784 7.491 1.00 0.55 C ATOM 3349 C ASN B 68 16.066 -9.306 6.328 1.00 0.43 C ATOM 3350 O ASN B 68 16.555 -9.423 5.205 1.00 0.57 O ATOM 3351 CB ASN B 68 18.336 -9.331 7.406 1.00 0.77 C ATOM 3352 CG ASN B 68 19.322 -8.598 8.305 1.00 1.30 C ATOM 3353 OD1 ASN B 68 18.868 -8.151 9.466 1.00 1.41 O flip ATOM 3354 ND2 ASN B 68 20.493 -8.448 7.960 1.00 2.22 N flip ATOM 0 H ASN B 68 15.837 -8.300 9.226 1.00 0.62 H new ATOM 0 HA ASN B 68 16.952 -7.697 7.423 1.00 0.55 H new ATOM 0 HB2 ASN B 68 18.330 -10.388 7.673 1.00 0.77 H new ATOM 0 HB3 ASN B 68 18.680 -9.265 6.374 1.00 0.77 H new ATOM 0 HD21 ASN B 68 20.809 -8.805 7.058 1.00 2.22 H new ATOM 0 HD22 ASN B 68 21.148 -7.966 8.576 1.00 2.22 H new ATOM 3361 N GLU B 69 14.797 -9.577 6.601 1.00 0.42 N ATOM 3362 CA GLU B 69 13.870 -10.050 5.588 1.00 0.42 C ATOM 3363 C GLU B 69 12.440 -9.677 5.971 1.00 0.39 C ATOM 3364 O GLU B 69 11.989 -9.940 7.089 1.00 0.54 O ATOM 3365 CB GLU B 69 14.021 -11.559 5.365 1.00 0.60 C ATOM 3366 CG GLU B 69 14.031 -12.386 6.638 1.00 1.04 C ATOM 3367 CD GLU B 69 14.295 -13.850 6.369 1.00 1.44 C ATOM 3368 OE1 GLU B 69 15.470 -14.218 6.154 1.00 2.09 O ATOM 3369 OE2 GLU B 69 13.332 -14.644 6.361 1.00 1.84 O ATOM 0 H GLU B 69 14.384 -9.475 7.528 1.00 0.42 H new ATOM 0 HA GLU B 69 14.105 -9.562 4.642 1.00 0.42 H new ATOM 0 HB2 GLU B 69 13.205 -11.903 4.730 1.00 0.60 H new ATOM 0 HB3 GLU B 69 14.947 -11.742 4.821 1.00 0.60 H new ATOM 0 HG2 GLU B 69 14.794 -12.000 7.314 1.00 1.04 H new ATOM 0 HG3 GLU B 69 13.072 -12.279 7.146 1.00 1.04 H new ATOM 3376 N VAL B 70 11.745 -9.065 5.028 1.00 0.28 N ATOM 3377 CA VAL B 70 10.444 -8.456 5.268 1.00 0.25 C ATOM 3378 C VAL B 70 9.293 -9.448 5.100 1.00 0.25 C ATOM 3379 O VAL B 70 9.210 -10.161 4.095 1.00 0.33 O ATOM 3380 CB VAL B 70 10.259 -7.244 4.325 1.00 0.26 C ATOM 3381 CG1 VAL B 70 8.796 -6.948 4.060 1.00 0.29 C ATOM 3382 CG2 VAL B 70 10.928 -6.022 4.918 1.00 0.30 C ATOM 0 H VAL B 70 12.069 -8.975 4.065 1.00 0.28 H new ATOM 0 HA VAL B 70 10.420 -8.123 6.306 1.00 0.25 H new ATOM 0 HB VAL B 70 10.724 -7.496 3.372 1.00 0.26 H new ATOM 0 HG11 VAL B 70 8.713 -6.090 3.393 1.00 0.29 H new ATOM 0 HG12 VAL B 70 8.328 -7.815 3.595 1.00 0.29 H new ATOM 0 HG13 VAL B 70 8.293 -6.726 5.001 1.00 0.29 H new ATOM 0 HG21 VAL B 70 10.794 -5.173 4.248 1.00 0.30 H new ATOM 0 HG22 VAL B 70 10.480 -5.796 5.886 1.00 0.30 H new ATOM 0 HG23 VAL B 70 11.993 -6.217 5.048 1.00 0.30 H new ATOM 3392 N ASP B 71 8.413 -9.479 6.099 1.00 0.25 N ATOM 3393 CA ASP B 71 7.230 -10.340 6.078 1.00 0.29 C ATOM 3394 C ASP B 71 6.078 -9.627 5.357 1.00 0.22 C ATOM 3395 O ASP B 71 6.259 -8.527 4.845 1.00 0.21 O ATOM 3396 CB ASP B 71 6.835 -10.729 7.507 1.00 0.42 C ATOM 3397 CG ASP B 71 5.898 -11.922 7.553 1.00 1.18 C ATOM 3398 OD1 ASP B 71 6.381 -13.070 7.491 1.00 1.72 O ATOM 3399 OD2 ASP B 71 4.670 -11.714 7.649 1.00 2.06 O ATOM 0 H ASP B 71 8.498 -8.911 6.942 1.00 0.25 H new ATOM 0 HA ASP B 71 7.459 -11.255 5.532 1.00 0.29 H new ATOM 0 HB2 ASP B 71 7.735 -10.957 8.079 1.00 0.42 H new ATOM 0 HB3 ASP B 71 6.357 -9.878 7.991 1.00 0.42 H new ATOM 3404 N PHE B 72 4.895 -10.230 5.335 1.00 0.21 N ATOM 3405 CA PHE B 72 3.835 -9.789 4.434 1.00 0.19 C ATOM 3406 C PHE B 72 3.280 -8.397 4.775 1.00 0.15 C ATOM 3407 O PHE B 72 3.285 -7.516 3.913 1.00 0.14 O ATOM 3408 CB PHE B 72 2.705 -10.816 4.383 1.00 0.21 C ATOM 3409 CG PHE B 72 1.782 -10.632 3.210 1.00 0.20 C ATOM 3410 CD1 PHE B 72 2.224 -10.030 2.036 1.00 1.18 C ATOM 3411 CD2 PHE B 72 0.473 -11.072 3.276 1.00 1.19 C ATOM 3412 CE1 PHE B 72 1.377 -9.873 0.959 1.00 1.20 C ATOM 3413 CE2 PHE B 72 -0.377 -10.916 2.202 1.00 1.20 C ATOM 3414 CZ PHE B 72 0.076 -10.316 1.041 1.00 0.32 C ATOM 0 H PHE B 72 4.646 -11.022 5.927 1.00 0.21 H new ATOM 0 HA PHE B 72 4.293 -9.705 3.448 1.00 0.19 H new ATOM 0 HB2 PHE B 72 3.135 -11.817 4.344 1.00 0.21 H new ATOM 0 HB3 PHE B 72 2.126 -10.754 5.304 1.00 0.21 H new ATOM 0 HD1 PHE B 72 3.244 -9.681 1.967 1.00 1.18 H new ATOM 0 HD2 PHE B 72 0.113 -11.543 4.179 1.00 1.19 H new ATOM 0 HE1 PHE B 72 1.733 -9.404 0.054 1.00 1.20 H new ATOM 0 HE2 PHE B 72 -1.398 -11.263 2.267 1.00 1.20 H new ATOM 0 HZ PHE B 72 -0.590 -10.195 0.200 1.00 0.32 H new ATOM 3424 N GLN B 73 2.790 -8.178 5.999 1.00 0.15 N ATOM 3425 CA GLN B 73 2.259 -6.854 6.347 1.00 0.14 C ATOM 3426 C GLN B 73 3.370 -5.814 6.266 1.00 0.12 C ATOM 3427 O GLN B 73 3.116 -4.671 5.908 1.00 0.13 O ATOM 3428 CB GLN B 73 1.587 -6.817 7.733 1.00 0.16 C ATOM 3429 CG GLN B 73 0.890 -5.501 8.020 1.00 0.26 C ATOM 3430 CD GLN B 73 0.312 -5.444 9.417 1.00 0.22 C ATOM 3431 OE1 GLN B 73 -0.148 -6.448 9.957 1.00 0.68 O ATOM 3432 NE2 GLN B 73 0.382 -4.278 10.032 1.00 0.60 N ATOM 0 H GLN B 73 2.749 -8.873 6.744 1.00 0.15 H new ATOM 0 HA GLN B 73 1.480 -6.621 5.621 1.00 0.14 H new ATOM 0 HB2 GLN B 73 0.862 -7.628 7.801 1.00 0.16 H new ATOM 0 HB3 GLN B 73 2.340 -6.998 8.500 1.00 0.16 H new ATOM 0 HG2 GLN B 73 1.598 -4.683 7.890 1.00 0.26 H new ATOM 0 HG3 GLN B 73 0.091 -5.350 7.293 1.00 0.26 H new ATOM 0 HE21 GLN B 73 0.771 -3.469 9.548 1.00 0.60 H new ATOM 0 HE22 GLN B 73 0.047 -4.186 10.991 1.00 0.60 H new ATOM 3441 N GLU B 74 4.606 -6.230 6.549 1.00 0.14 N ATOM 3442 CA GLU B 74 5.751 -5.337 6.444 1.00 0.17 C ATOM 3443 C GLU B 74 5.984 -4.970 4.984 1.00 0.14 C ATOM 3444 O GLU B 74 6.336 -3.841 4.659 1.00 0.16 O ATOM 3445 CB GLU B 74 7.010 -5.992 7.005 1.00 0.27 C ATOM 3446 CG GLU B 74 7.963 -5.007 7.660 1.00 0.38 C ATOM 3447 CD GLU B 74 7.563 -4.708 9.092 1.00 0.43 C ATOM 3448 OE1 GLU B 74 6.704 -3.830 9.310 1.00 1.10 O ATOM 3449 OE2 GLU B 74 8.095 -5.370 10.010 1.00 1.21 O ATOM 0 H GLU B 74 4.835 -7.177 6.851 1.00 0.14 H new ATOM 0 HA GLU B 74 5.537 -4.440 7.025 1.00 0.17 H new ATOM 0 HB2 GLU B 74 6.722 -6.748 7.736 1.00 0.27 H new ATOM 0 HB3 GLU B 74 7.531 -6.509 6.199 1.00 0.27 H new ATOM 0 HG2 GLU B 74 8.975 -5.412 7.642 1.00 0.38 H new ATOM 0 HG3 GLU B 74 7.980 -4.081 7.086 1.00 0.38 H new ATOM 3456 N TYR B 75 5.779 -5.946 4.111 1.00 0.14 N ATOM 3457 CA TYR B 75 5.893 -5.742 2.675 1.00 0.14 C ATOM 3458 C TYR B 75 4.859 -4.726 2.215 1.00 0.11 C ATOM 3459 O TYR B 75 5.124 -3.896 1.352 1.00 0.13 O ATOM 3460 CB TYR B 75 5.690 -7.078 1.939 1.00 0.16 C ATOM 3461 CG TYR B 75 5.810 -6.995 0.430 1.00 0.17 C ATOM 3462 CD1 TYR B 75 4.771 -6.498 -0.349 1.00 1.19 C ATOM 3463 CD2 TYR B 75 6.966 -7.412 -0.213 1.00 1.21 C ATOM 3464 CE1 TYR B 75 4.880 -6.417 -1.723 1.00 1.20 C ATOM 3465 CE2 TYR B 75 7.082 -7.333 -1.590 1.00 1.22 C ATOM 3466 CZ TYR B 75 6.037 -6.834 -2.339 1.00 0.22 C ATOM 3467 OH TYR B 75 6.148 -6.761 -3.709 1.00 0.26 O ATOM 0 H TYR B 75 5.530 -6.898 4.378 1.00 0.14 H new ATOM 0 HA TYR B 75 6.888 -5.361 2.444 1.00 0.14 H new ATOM 0 HB2 TYR B 75 6.422 -7.796 2.309 1.00 0.16 H new ATOM 0 HB3 TYR B 75 4.704 -7.470 2.190 1.00 0.16 H new ATOM 0 HD1 TYR B 75 3.861 -6.169 0.130 1.00 1.19 H new ATOM 0 HD2 TYR B 75 7.787 -7.804 0.369 1.00 1.21 H new ATOM 0 HE1 TYR B 75 4.061 -6.028 -2.311 1.00 1.20 H new ATOM 0 HE2 TYR B 75 7.989 -7.661 -2.077 1.00 1.22 H new ATOM 0 HH TYR B 75 5.261 -6.626 -4.102 1.00 0.26 H new ATOM 3477 N CYS B 76 3.685 -4.789 2.812 1.00 0.11 N ATOM 3478 CA CYS B 76 2.587 -3.954 2.382 1.00 0.12 C ATOM 3479 C CYS B 76 2.623 -2.586 3.044 1.00 0.12 C ATOM 3480 O CYS B 76 2.337 -1.582 2.397 1.00 0.13 O ATOM 3481 CB CYS B 76 1.258 -4.652 2.656 1.00 0.14 C ATOM 3482 SG CYS B 76 1.205 -6.368 2.095 1.00 0.22 S ATOM 0 H CYS B 76 3.470 -5.408 3.593 1.00 0.11 H new ATOM 0 HA CYS B 76 2.690 -3.795 1.309 1.00 0.12 H new ATOM 0 HB2 CYS B 76 1.058 -4.624 3.727 1.00 0.14 H new ATOM 0 HB3 CYS B 76 0.459 -4.095 2.167 1.00 0.14 H new ATOM 0 HG CYS B 76 2.134 -7.050 2.697 1.00 0.22 H new ATOM 3488 N VAL B 77 2.969 -2.531 4.324 1.00 0.13 N ATOM 3489 CA VAL B 77 3.150 -1.247 4.984 1.00 0.14 C ATOM 3490 C VAL B 77 4.262 -0.498 4.276 1.00 0.14 C ATOM 3491 O VAL B 77 4.186 0.704 4.098 1.00 0.19 O ATOM 3492 CB VAL B 77 3.478 -1.397 6.488 1.00 0.16 C ATOM 3493 CG1 VAL B 77 4.729 -2.215 6.658 1.00 0.14 C ATOM 3494 CG2 VAL B 77 3.636 -0.045 7.171 1.00 0.20 C ATOM 0 H VAL B 77 3.127 -3.346 4.916 1.00 0.13 H new ATOM 0 HA VAL B 77 2.213 -0.693 4.925 1.00 0.14 H new ATOM 0 HB VAL B 77 2.641 -1.908 6.964 1.00 0.16 H new ATOM 0 HG11 VAL B 77 4.955 -2.317 7.719 1.00 0.14 H new ATOM 0 HG12 VAL B 77 4.580 -3.203 6.222 1.00 0.14 H new ATOM 0 HG13 VAL B 77 5.559 -1.718 6.156 1.00 0.14 H new ATOM 0 HG21 VAL B 77 3.866 -0.195 8.226 1.00 0.20 H new ATOM 0 HG22 VAL B 77 4.447 0.509 6.698 1.00 0.20 H new ATOM 0 HG23 VAL B 77 2.708 0.520 7.078 1.00 0.20 H new ATOM 3504 N PHE B 78 5.271 -1.247 3.845 1.00 0.11 N ATOM 3505 CA PHE B 78 6.315 -0.735 2.971 1.00 0.11 C ATOM 3506 C PHE B 78 5.702 0.045 1.822 1.00 0.11 C ATOM 3507 O PHE B 78 6.117 1.163 1.509 1.00 0.11 O ATOM 3508 CB PHE B 78 7.123 -1.916 2.424 1.00 0.12 C ATOM 3509 CG PHE B 78 7.933 -1.598 1.207 1.00 0.12 C ATOM 3510 CD1 PHE B 78 9.201 -1.069 1.330 1.00 1.18 C ATOM 3511 CD2 PHE B 78 7.419 -1.831 -0.059 1.00 1.17 C ATOM 3512 CE1 PHE B 78 9.952 -0.774 0.211 1.00 1.18 C ATOM 3513 CE2 PHE B 78 8.159 -1.540 -1.184 1.00 1.18 C ATOM 3514 CZ PHE B 78 9.428 -1.009 -1.050 1.00 0.15 C ATOM 0 H PHE B 78 5.386 -2.229 4.094 1.00 0.11 H new ATOM 0 HA PHE B 78 6.967 -0.067 3.534 1.00 0.11 H new ATOM 0 HB2 PHE B 78 7.791 -2.277 3.206 1.00 0.12 H new ATOM 0 HB3 PHE B 78 6.439 -2.731 2.188 1.00 0.12 H new ATOM 0 HD1 PHE B 78 9.610 -0.884 2.312 1.00 1.18 H new ATOM 0 HD2 PHE B 78 6.427 -2.245 -0.165 1.00 1.17 H new ATOM 0 HE1 PHE B 78 10.944 -0.362 0.317 1.00 1.18 H new ATOM 0 HE2 PHE B 78 7.749 -1.726 -2.166 1.00 1.18 H new ATOM 0 HZ PHE B 78 10.012 -0.777 -1.929 1.00 0.15 H new ATOM 3524 N LEU B 79 4.697 -0.560 1.217 1.00 0.14 N ATOM 3525 CA LEU B 79 4.025 0.018 0.078 1.00 0.16 C ATOM 3526 C LEU B 79 3.312 1.304 0.438 1.00 0.17 C ATOM 3527 O LEU B 79 3.504 2.335 -0.203 1.00 0.20 O ATOM 3528 CB LEU B 79 3.039 -0.985 -0.508 1.00 0.15 C ATOM 3529 CG LEU B 79 3.639 -1.963 -1.504 1.00 0.15 C ATOM 3530 CD1 LEU B 79 3.315 -3.390 -1.125 1.00 0.19 C ATOM 3531 CD2 LEU B 79 3.107 -1.657 -2.877 1.00 0.14 C ATOM 0 H LEU B 79 4.327 -1.466 1.505 1.00 0.14 H new ATOM 0 HA LEU B 79 4.782 0.261 -0.667 1.00 0.16 H new ATOM 0 HB2 LEU B 79 2.589 -1.550 0.308 1.00 0.15 H new ATOM 0 HB3 LEU B 79 2.234 -0.437 -0.998 1.00 0.15 H new ATOM 0 HG LEU B 79 4.723 -1.854 -1.496 1.00 0.15 H new ATOM 0 HD11 LEU B 79 3.756 -4.069 -1.854 1.00 0.19 H new ATOM 0 HD12 LEU B 79 3.721 -3.605 -0.137 1.00 0.19 H new ATOM 0 HD13 LEU B 79 2.234 -3.526 -1.110 1.00 0.19 H new ATOM 0 HD21 LEU B 79 3.534 -2.356 -3.597 1.00 0.14 H new ATOM 0 HD22 LEU B 79 2.021 -1.755 -2.877 1.00 0.14 H new ATOM 0 HD23 LEU B 79 3.380 -0.639 -3.154 1.00 0.14 H new ATOM 3543 N SER B 80 2.516 1.253 1.484 1.00 0.19 N ATOM 3544 CA SER B 80 1.736 2.400 1.878 1.00 0.21 C ATOM 3545 C SER B 80 2.644 3.482 2.418 1.00 0.20 C ATOM 3546 O SER B 80 2.343 4.672 2.339 1.00 0.24 O ATOM 3547 CB SER B 80 0.703 1.972 2.898 1.00 0.22 C ATOM 3548 OG SER B 80 1.207 0.942 3.732 1.00 0.18 O ATOM 0 H SER B 80 2.394 0.430 2.074 1.00 0.19 H new ATOM 0 HA SER B 80 1.214 2.813 1.015 1.00 0.21 H new ATOM 0 HB2 SER B 80 0.412 2.828 3.507 1.00 0.22 H new ATOM 0 HB3 SER B 80 -0.195 1.624 2.387 1.00 0.22 H new ATOM 0 HG SER B 80 0.464 0.391 4.056 1.00 0.18 H new ATOM 3554 N CYS B 81 3.769 3.051 2.947 1.00 0.17 N ATOM 3555 CA CYS B 81 4.802 3.958 3.362 1.00 0.18 C ATOM 3556 C CYS B 81 5.363 4.697 2.172 1.00 0.33 C ATOM 3557 O CYS B 81 5.555 5.892 2.248 1.00 0.72 O ATOM 3558 CB CYS B 81 5.899 3.219 4.111 1.00 0.30 C ATOM 3559 SG CYS B 81 5.362 2.625 5.725 1.00 1.83 S ATOM 0 H CYS B 81 3.987 2.066 3.098 1.00 0.17 H new ATOM 0 HA CYS B 81 4.366 4.689 4.043 1.00 0.18 H new ATOM 0 HB2 CYS B 81 6.236 2.374 3.511 1.00 0.30 H new ATOM 0 HB3 CYS B 81 6.755 3.881 4.239 1.00 0.30 H new ATOM 0 HG CYS B 81 4.874 3.615 6.412 1.00 1.83 H new ATOM 3565 N ILE B 82 5.603 4.005 1.063 1.00 0.17 N ATOM 3566 CA ILE B 82 6.065 4.684 -0.138 1.00 0.19 C ATOM 3567 C ILE B 82 5.028 5.700 -0.601 1.00 0.21 C ATOM 3568 O ILE B 82 5.357 6.845 -0.872 1.00 0.28 O ATOM 3569 CB ILE B 82 6.386 3.724 -1.307 1.00 0.19 C ATOM 3570 CG1 ILE B 82 7.534 2.787 -0.936 1.00 0.24 C ATOM 3571 CG2 ILE B 82 6.741 4.524 -2.552 1.00 0.24 C ATOM 3572 CD1 ILE B 82 8.319 2.293 -2.137 1.00 0.41 C ATOM 0 H ILE B 82 5.488 2.996 0.972 1.00 0.17 H new ATOM 0 HA ILE B 82 6.996 5.179 0.138 1.00 0.19 H new ATOM 0 HB ILE B 82 5.503 3.118 -1.512 1.00 0.19 H new ATOM 0 HG12 ILE B 82 8.211 3.305 -0.256 1.00 0.24 H new ATOM 0 HG13 ILE B 82 7.133 1.930 -0.395 1.00 0.24 H new ATOM 0 HG21 ILE B 82 6.966 3.841 -3.371 1.00 0.24 H new ATOM 0 HG22 ILE B 82 5.899 5.158 -2.829 1.00 0.24 H new ATOM 0 HG23 ILE B 82 7.613 5.146 -2.348 1.00 0.24 H new ATOM 0 HD11 ILE B 82 9.119 1.632 -1.802 1.00 0.41 H new ATOM 0 HD12 ILE B 82 7.654 1.747 -2.807 1.00 0.41 H new ATOM 0 HD13 ILE B 82 8.749 3.144 -2.666 1.00 0.41 H new ATOM 3584 N ALA B 83 3.774 5.279 -0.661 1.00 0.26 N ATOM 3585 CA ALA B 83 2.695 6.153 -1.107 1.00 0.32 C ATOM 3586 C ALA B 83 2.550 7.376 -0.205 1.00 0.32 C ATOM 3587 O ALA B 83 2.423 8.501 -0.678 1.00 0.35 O ATOM 3588 CB ALA B 83 1.392 5.381 -1.149 1.00 0.42 C ATOM 0 H ALA B 83 3.476 4.337 -0.407 1.00 0.26 H new ATOM 0 HA ALA B 83 2.943 6.507 -2.108 1.00 0.32 H new ATOM 0 HB1 ALA B 83 0.590 6.039 -1.483 1.00 0.42 H new ATOM 0 HB2 ALA B 83 1.487 4.544 -1.841 1.00 0.42 H new ATOM 0 HB3 ALA B 83 1.161 5.003 -0.153 1.00 0.42 H new ATOM 3594 N MET B 84 2.579 7.146 1.093 1.00 0.33 N ATOM 3595 CA MET B 84 2.419 8.209 2.078 1.00 0.36 C ATOM 3596 C MET B 84 3.705 8.998 2.263 1.00 0.36 C ATOM 3597 O MET B 84 3.691 10.142 2.713 1.00 0.48 O ATOM 3598 CB MET B 84 1.969 7.589 3.381 1.00 0.38 C ATOM 3599 CG MET B 84 1.889 8.543 4.550 1.00 0.44 C ATOM 3600 SD MET B 84 1.561 7.644 6.065 1.00 0.38 S ATOM 3601 CE MET B 84 2.411 6.126 5.646 1.00 0.22 C ATOM 0 H MET B 84 2.714 6.220 1.499 1.00 0.33 H new ATOM 0 HA MET B 84 1.668 8.917 1.726 1.00 0.36 H new ATOM 0 HB2 MET B 84 0.988 7.139 3.232 1.00 0.38 H new ATOM 0 HB3 MET B 84 2.655 6.781 3.637 1.00 0.38 H new ATOM 0 HG2 MET B 84 2.824 9.095 4.642 1.00 0.44 H new ATOM 0 HG3 MET B 84 1.101 9.276 4.376 1.00 0.44 H new ATOM 0 HE1 MET B 84 2.684 5.598 6.560 1.00 0.22 H new ATOM 0 HE2 MET B 84 1.756 5.496 5.044 1.00 0.22 H new ATOM 0 HE3 MET B 84 3.312 6.358 5.079 1.00 0.22 H new ATOM 3611 N MET B 85 4.818 8.385 1.919 1.00 0.28 N ATOM 3612 CA MET B 85 6.085 9.086 1.889 1.00 0.29 C ATOM 3613 C MET B 85 6.185 9.856 0.576 1.00 0.34 C ATOM 3614 O MET B 85 6.982 10.773 0.427 1.00 0.48 O ATOM 3615 CB MET B 85 7.230 8.108 2.061 1.00 0.28 C ATOM 3616 CG MET B 85 8.515 8.774 2.496 1.00 0.32 C ATOM 3617 SD MET B 85 9.835 8.528 1.296 1.00 0.29 S ATOM 3618 CE MET B 85 9.817 6.749 1.283 1.00 0.25 C ATOM 0 H MET B 85 4.871 7.401 1.656 1.00 0.28 H new ATOM 0 HA MET B 85 6.146 9.795 2.714 1.00 0.29 H new ATOM 0 HB2 MET B 85 6.950 7.355 2.798 1.00 0.28 H new ATOM 0 HB3 MET B 85 7.399 7.585 1.119 1.00 0.28 H new ATOM 0 HG2 MET B 85 8.343 9.842 2.633 1.00 0.32 H new ATOM 0 HG3 MET B 85 8.823 8.374 3.462 1.00 0.32 H new ATOM 0 HE1 MET B 85 10.825 6.376 1.099 1.00 0.25 H new ATOM 0 HE2 MET B 85 9.465 6.382 2.247 1.00 0.25 H new ATOM 0 HE3 MET B 85 9.151 6.398 0.495 1.00 0.25 H new ATOM 3628 N CYS B 86 5.352 9.450 -0.374 1.00 0.31 N ATOM 3629 CA CYS B 86 5.140 10.191 -1.607 1.00 0.34 C ATOM 3630 C CYS B 86 4.190 11.345 -1.349 1.00 0.39 C ATOM 3631 O CYS B 86 4.264 12.384 -1.995 1.00 0.46 O ATOM 3632 CB CYS B 86 4.543 9.271 -2.676 1.00 0.39 C ATOM 3633 SG CYS B 86 3.956 10.128 -4.151 1.00 0.94 S ATOM 0 H CYS B 86 4.803 8.593 -0.309 1.00 0.31 H new ATOM 0 HA CYS B 86 6.097 10.575 -1.959 1.00 0.34 H new ATOM 0 HB2 CYS B 86 5.296 8.540 -2.971 1.00 0.39 H new ATOM 0 HB3 CYS B 86 3.713 8.716 -2.238 1.00 0.39 H new ATOM 0 HG CYS B 86 4.971 10.605 -4.809 1.00 0.94 H new ATOM 3639 N ASN B 87 3.290 11.139 -0.399 1.00 0.45 N ATOM 3640 CA ASN B 87 2.310 12.144 -0.015 1.00 0.58 C ATOM 3641 C ASN B 87 2.980 13.475 0.313 1.00 0.68 C ATOM 3642 O ASN B 87 2.535 14.537 -0.124 1.00 0.89 O ATOM 3643 CB ASN B 87 1.507 11.654 1.188 1.00 0.72 C ATOM 3644 CG ASN B 87 0.611 12.723 1.776 1.00 1.10 C ATOM 3645 OD1 ASN B 87 0.984 13.413 2.725 1.00 1.72 O ATOM 3646 ND2 ASN B 87 -0.571 12.872 1.211 1.00 1.77 N ATOM 0 H ASN B 87 3.219 10.269 0.128 1.00 0.45 H new ATOM 0 HA ASN B 87 1.639 12.303 -0.859 1.00 0.58 H new ATOM 0 HB2 ASN B 87 0.898 10.801 0.888 1.00 0.72 H new ATOM 0 HB3 ASN B 87 2.194 11.300 1.957 1.00 0.72 H new ATOM 0 HD21 ASN B 87 -1.217 13.581 1.559 1.00 1.77 H new ATOM 0 HD22 ASN B 87 -0.840 12.278 0.426 1.00 1.77 H new ATOM 3653 N GLU B 88 4.059 13.410 1.073 1.00 0.70 N ATOM 3654 CA GLU B 88 4.784 14.609 1.455 1.00 0.89 C ATOM 3655 C GLU B 88 5.470 15.257 0.242 1.00 0.86 C ATOM 3656 O GLU B 88 5.661 16.468 0.211 1.00 1.06 O ATOM 3657 CB GLU B 88 5.776 14.299 2.594 1.00 1.03 C ATOM 3658 CG GLU B 88 6.686 13.101 2.345 1.00 1.51 C ATOM 3659 CD GLU B 88 7.148 12.430 3.630 1.00 1.72 C ATOM 3660 OE1 GLU B 88 8.175 12.854 4.200 1.00 1.98 O ATOM 3661 OE2 GLU B 88 6.485 11.469 4.084 1.00 2.33 O ATOM 0 H GLU B 88 4.452 12.542 1.437 1.00 0.70 H new ATOM 0 HA GLU B 88 4.070 15.340 1.834 1.00 0.89 H new ATOM 0 HB2 GLU B 88 6.396 15.179 2.765 1.00 1.03 H new ATOM 0 HB3 GLU B 88 5.212 14.124 3.510 1.00 1.03 H new ATOM 0 HG2 GLU B 88 6.158 12.372 1.730 1.00 1.51 H new ATOM 0 HG3 GLU B 88 7.558 13.425 1.777 1.00 1.51 H new ATOM 3668 N PHE B 89 5.805 14.457 -0.769 1.00 0.69 N ATOM 3669 CA PHE B 89 6.425 14.980 -1.990 1.00 0.71 C ATOM 3670 C PHE B 89 5.399 15.351 -3.066 1.00 0.73 C ATOM 3671 O PHE B 89 5.149 16.530 -3.325 1.00 0.88 O ATOM 3672 CB PHE B 89 7.389 13.951 -2.574 1.00 0.69 C ATOM 3673 CG PHE B 89 8.675 13.824 -1.816 1.00 0.91 C ATOM 3674 CD1 PHE B 89 8.756 13.009 -0.702 1.00 1.53 C ATOM 3675 CD2 PHE B 89 9.805 14.514 -2.224 1.00 1.65 C ATOM 3676 CE1 PHE B 89 9.941 12.884 -0.007 1.00 1.89 C ATOM 3677 CE2 PHE B 89 10.992 14.395 -1.532 1.00 1.99 C ATOM 3678 CZ PHE B 89 11.061 13.577 -0.421 1.00 1.81 C ATOM 0 H PHE B 89 5.659 13.447 -0.769 1.00 0.69 H new ATOM 0 HA PHE B 89 6.955 15.887 -1.700 1.00 0.71 H new ATOM 0 HB2 PHE B 89 6.896 12.979 -2.599 1.00 0.69 H new ATOM 0 HB3 PHE B 89 7.612 14.222 -3.606 1.00 0.69 H new ATOM 0 HD1 PHE B 89 7.883 12.465 -0.373 1.00 1.53 H new ATOM 0 HD2 PHE B 89 9.756 15.152 -3.094 1.00 1.65 H new ATOM 0 HE1 PHE B 89 9.993 12.244 0.861 1.00 1.89 H new ATOM 0 HE2 PHE B 89 11.866 14.940 -1.858 1.00 1.99 H new ATOM 0 HZ PHE B 89 11.989 13.480 0.123 1.00 1.81 H new ATOM 3688 N PHE B 90 4.795 14.333 -3.668 1.00 0.63 N ATOM 3689 CA PHE B 90 3.971 14.499 -4.862 1.00 0.66 C ATOM 3690 C PHE B 90 2.611 15.096 -4.537 1.00 0.69 C ATOM 3691 O PHE B 90 2.060 15.878 -5.317 1.00 0.83 O ATOM 3692 CB PHE B 90 3.791 13.148 -5.558 1.00 0.69 C ATOM 3693 CG PHE B 90 2.889 13.189 -6.763 1.00 0.95 C ATOM 3694 CD1 PHE B 90 3.270 13.866 -7.909 1.00 1.79 C ATOM 3695 CD2 PHE B 90 1.662 12.544 -6.747 1.00 1.44 C ATOM 3696 CE1 PHE B 90 2.446 13.900 -9.017 1.00 2.09 C ATOM 3697 CE2 PHE B 90 0.834 12.574 -7.853 1.00 1.68 C ATOM 3698 CZ PHE B 90 1.227 13.253 -8.989 1.00 1.67 C ATOM 0 H PHE B 90 4.862 13.369 -3.343 1.00 0.63 H new ATOM 0 HA PHE B 90 4.486 15.194 -5.525 1.00 0.66 H new ATOM 0 HB2 PHE B 90 4.769 12.776 -5.863 1.00 0.69 H new ATOM 0 HB3 PHE B 90 3.388 12.433 -4.841 1.00 0.69 H new ATOM 0 HD1 PHE B 90 4.223 14.374 -7.937 1.00 1.79 H new ATOM 0 HD2 PHE B 90 1.350 12.012 -5.860 1.00 1.44 H new ATOM 0 HE1 PHE B 90 2.755 14.432 -9.904 1.00 2.09 H new ATOM 0 HE2 PHE B 90 -0.119 12.067 -7.829 1.00 1.68 H new ATOM 0 HZ PHE B 90 0.582 13.278 -9.855 1.00 1.67 H new