USER MOD reduce.3.24.130724 H: found=0, std=0, add=1556, rem=0, adj=61 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: A 73 GLN :FLIP amide:sc= -0.102 F(o=-3.8!,f=-0.31) USER MOD Set 1.2: C1911 ASN :FLIP amide:sc= -0.212 F(o=-1.1,f=-0.31) USER MOD Set 2.1: B 81 CYS SG : rot -107:sc= -13.4! USER MOD Set 2.2: B 85 MET CE :methyl -163:sc= -0.322 (180deg=-0.801) USER MOD Set 3.1: B 30 ASN : amide:sc= -2.53! C(o=-2.2!,f=-5.4!) USER MOD Set 3.2: B 32 SER OG : rot 180:sc= 0.321 USER MOD Set 4.1: B 18 LYS NZ :NH3+ 164:sc= 1.27 (180deg=1.18) USER MOD Set 4.2: B 19 TYR OH : rot -144:sc= 1.12 USER MOD Set 5.1: A 12 MET CE :methyl -170:sc= -0.393 (180deg=-0.607) USER MOD Set 5.2: A 80 SER OG : rot -126:sc= -0.184 USER MOD Set 5.3: B 12 MET CE :methyl -146:sc= -3.46! (180deg=-5.67!) USER MOD Set 5.4: B 80 SER OG : rot -132:sc= -1.1! USER MOD Set 6.1: A 87 ASN : amide:sc= 2.12 K(o=3.2,f=-0.049) USER MOD Set 6.2: B 17 HIS : no HD1:sc= 1.07 K(o=3.2,f=-4.8!) USER MOD Set 7.1: A 81 CYS SG : rot 93:sc= -5.87! USER MOD Set 7.2: A 84 MET CE :methyl -175:sc= -5! (180deg=-5.05!) USER MOD Set 7.3: C1910 MET CE :methyl -174:sc= -4.63! (180deg=-5.08!) USER MOD Set 8.1: A 76 CYS SG : rot -47:sc= -3.1! USER MOD Set 8.2: B 84 MET CE :methyl 148:sc= -7.13! (180deg=-11.7!) USER MOD Set 9.1: A 57 LYS NZ :NH3+ -151:sc= 1.23 (180deg=0) USER MOD Set 9.2: A 61 ASN : amide:sc= 0.644 K(o=1.9,f=-10!) USER MOD Set 9.3: C1904 THR OG1 : rot -64:sc= 0.00389 USER MOD Set10.1: A 30 ASN : amide:sc= -2.37! C(o=-2!,f=-5!) USER MOD Set10.2: A 32 SER OG : rot 180:sc= 0.322 USER MOD Set11.1: A 18 LYS NZ :NH3+ 155:sc= 1.2 (180deg=1.11) USER MOD Set11.2: A 19 TYR OH : rot -159:sc= 1.21 USER MOD Single : A 3 CYS SG : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ 175:sc= 1.2 (180deg=0.972) USER MOD Single : A 14 SER OG : rot 85:sc= 1.26 USER MOD Single : A 15 THR OG1 : rot 81:sc= 0.555 USER MOD Single : A 17 HIS : no HD1:sc= -0.213 X(o=-0.21,f=-0.011) USER MOD Single : A 20 SER OG : rot -92:sc= 0.987 USER MOD Single : A 28 LYS NZ :NH3+ -117:sc= -2.43! (180deg=-3.07!) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ -113:sc= 1.27 (180deg=0.56) USER MOD Single : A 39 THR OG1 : rot -4:sc= -0.832! USER MOD Single : A 44 SER OG : rot -118:sc= 0.919 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 THR OG1 : rot 100:sc= -3.8! USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 MET CE :methyl 151:sc= -2.35! (180deg=-3.64!) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot -18:sc= 1.17 USER MOD Single : A 65 ASN : amide:sc= 1.06 K(o=1.1,f=-0.34) USER MOD Single : A 68 ASN :FLIP amide:sc= -0.293 F(o=-2!,f=-0.29) USER MOD Single : A 75 TYR OH : rot 30:sc= -1.54 USER MOD Single : A 85 MET CE :methyl -163:sc= -6.71! (180deg=-8.39!) USER MOD Single : A 86 CYS SG : rot -31:sc= -0.201 USER MOD Single : B 3 CYS SG : rot 180:sc= 0 USER MOD Single : B 7 LYS NZ :NH3+ 169:sc= 1.25 (180deg=0.953) USER MOD Single : B 14 SER OG : rot 96:sc= 1.28 USER MOD Single : B 15 THR OG1 : rot 85:sc= 1.18 USER MOD Single : B 20 SER OG : rot -85:sc= 0.817 USER MOD Single : B 28 LYS NZ :NH3+ -116:sc= -1.52! (180deg=-3.19!) USER MOD Single : B 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 35 LYS NZ :NH3+ 138:sc= 1.24 (180deg=-0.007) USER MOD Single : B 39 THR OG1 : rot -8:sc= -0.752! USER MOD Single : B 44 SER OG : rot -125:sc= 1.34 USER MOD Single : B 48 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0874) USER MOD Single : B 50 THR OG1 : rot 150:sc= 0.0586 USER MOD Single : B 56 GLN : amide:sc= -0.797 K(o=-0.8,f=-4.7!) USER MOD Single : B 57 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0495) USER MOD Single : B 59 MET CE :methyl 156:sc= -3.3! (180deg=-3.54) USER MOD Single : B 60 SER OG : rot -27:sc= 0.313 USER MOD Single : B 61 ASN : amide:sc= -5.2! C(o=-5.2!,f=-5.6!) USER MOD Single : B 64 SER OG : rot 77:sc= 0.383 USER MOD Single : B 65 ASN : amide:sc= -0.956 X(o=-0.96,f=-0.7) USER MOD Single : B 68 ASN :FLIP amide:sc= -1.96! C(o=-3!,f=-2!) USER MOD Single : B 73 GLN : amide:sc= -0.109 K(o=-0.11,f=-2.3!) USER MOD Single : B 75 TYR OH : rot 70:sc= -0.244 USER MOD Single : B 76 CYS SG : rot 68:sc= -0.307 USER MOD Single : B 86 CYS SG : rot 180:sc= -0.716 USER MOD Single : B 87 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : C1906 THR OG1 : rot 72:sc= 1.31 USER MOD Single : C1915 SER OG : rot -87:sc= 0.493 USER MOD Single : C1916 SER OG : rot 86:sc= 0.00268 USER MOD Single : C1918 LYS NZ :NH3+ 164:sc= 1.3 (180deg=1.01) USER MOD Single : C1919 ASN : amide:sc= 0 K(o=0,f=-0.53) USER MOD Single : C1920 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 44 N GLU C1899 -14.693 -9.000 2.185 1.00 0.40 N ATOM 45 CA GLU C1899 -13.257 -9.228 2.320 1.00 0.29 C ATOM 46 C GLU C1899 -12.611 -8.011 2.940 1.00 0.24 C ATOM 47 O GLU C1899 -11.543 -8.077 3.546 1.00 0.27 O ATOM 48 CB GLU C1899 -12.670 -9.483 0.937 1.00 0.30 C ATOM 49 CG GLU C1899 -13.220 -8.543 -0.127 1.00 0.35 C ATOM 50 CD GLU C1899 -13.167 -9.150 -1.512 1.00 0.62 C ATOM 51 OE1 GLU C1899 -14.109 -9.856 -1.901 1.00 0.97 O ATOM 52 OE2 GLU C1899 -12.168 -8.910 -2.224 1.00 0.76 O ATOM 0 HA GLU C1899 -13.072 -10.090 2.960 1.00 0.29 H new ATOM 0 HB2 GLU C1899 -11.586 -9.376 0.983 1.00 0.30 H new ATOM 0 HB3 GLU C1899 -12.876 -10.513 0.645 1.00 0.30 H new ATOM 0 HG2 GLU C1899 -14.251 -8.287 0.116 1.00 0.35 H new ATOM 0 HG3 GLU C1899 -12.650 -7.614 -0.118 1.00 0.35 H new ATOM 59 N LEU C1900 -13.309 -6.905 2.779 1.00 0.24 N ATOM 60 CA LEU C1900 -12.913 -5.626 3.315 1.00 0.25 C ATOM 61 C LEU C1900 -12.979 -5.609 4.848 1.00 0.28 C ATOM 62 O LEU C1900 -12.723 -4.585 5.472 1.00 0.44 O ATOM 63 CB LEU C1900 -13.811 -4.554 2.698 1.00 0.33 C ATOM 64 CG LEU C1900 -13.176 -3.708 1.596 1.00 0.20 C ATOM 65 CD1 LEU C1900 -11.657 -3.790 1.629 1.00 0.22 C ATOM 66 CD2 LEU C1900 -13.717 -4.115 0.239 1.00 0.31 C ATOM 0 H LEU C1900 -14.186 -6.874 2.260 1.00 0.24 H new ATOM 0 HA LEU C1900 -11.873 -5.426 3.058 1.00 0.25 H new ATOM 0 HB2 LEU C1900 -14.698 -5.040 2.291 1.00 0.33 H new ATOM 0 HB3 LEU C1900 -14.148 -3.888 3.492 1.00 0.33 H new ATOM 0 HG LEU C1900 -13.444 -2.667 1.776 1.00 0.20 H new ATOM 0 HD11 LEU C1900 -11.242 -3.175 0.830 1.00 0.22 H new ATOM 0 HD12 LEU C1900 -11.294 -3.429 2.591 1.00 0.22 H new ATOM 0 HD13 LEU C1900 -11.345 -4.825 1.489 1.00 0.22 H new ATOM 0 HD21 LEU C1900 -13.255 -3.503 -0.535 1.00 0.31 H new ATOM 0 HD22 LEU C1900 -13.489 -5.165 0.056 1.00 0.31 H new ATOM 0 HD23 LEU C1900 -14.797 -3.970 0.220 1.00 0.31 H new ATOM 78 N GLU C1901 -13.346 -6.736 5.451 1.00 0.27 N ATOM 79 CA GLU C1901 -13.217 -6.893 6.892 1.00 0.34 C ATOM 80 C GLU C1901 -11.791 -7.261 7.249 1.00 0.37 C ATOM 81 O GLU C1901 -11.053 -6.446 7.790 1.00 0.52 O ATOM 82 CB GLU C1901 -14.145 -7.976 7.434 1.00 0.48 C ATOM 83 CG GLU C1901 -15.581 -7.540 7.597 1.00 1.00 C ATOM 84 CD GLU C1901 -16.381 -8.537 8.399 1.00 1.11 C ATOM 85 OE1 GLU C1901 -16.201 -8.594 9.634 1.00 1.48 O ATOM 86 OE2 GLU C1901 -17.189 -9.273 7.802 1.00 1.44 O ATOM 0 H GLU C1901 -13.732 -7.547 4.967 1.00 0.27 H new ATOM 0 HA GLU C1901 -13.493 -5.940 7.343 1.00 0.34 H new ATOM 0 HB2 GLU C1901 -14.112 -8.835 6.764 1.00 0.48 H new ATOM 0 HB3 GLU C1901 -13.768 -8.311 8.400 1.00 0.48 H new ATOM 0 HG2 GLU C1901 -15.612 -6.568 8.090 1.00 1.00 H new ATOM 0 HG3 GLU C1901 -16.037 -7.414 6.615 1.00 1.00 H new ATOM 93 N ASP C1902 -11.407 -8.489 6.914 1.00 0.37 N ATOM 94 CA ASP C1902 -10.089 -9.008 7.263 1.00 0.46 C ATOM 95 C ASP C1902 -8.992 -8.172 6.625 1.00 0.44 C ATOM 96 O ASP C1902 -7.932 -7.967 7.217 1.00 0.58 O ATOM 97 CB ASP C1902 -9.950 -10.460 6.808 1.00 0.60 C ATOM 98 CG ASP C1902 -8.708 -11.124 7.370 1.00 1.18 C ATOM 99 OD1 ASP C1902 -7.623 -10.946 6.780 1.00 2.01 O ATOM 100 OD2 ASP C1902 -8.805 -11.833 8.394 1.00 1.42 O ATOM 0 H ASP C1902 -11.993 -9.146 6.399 1.00 0.37 H new ATOM 0 HA ASP C1902 -9.986 -8.958 8.347 1.00 0.46 H new ATOM 0 HB2 ASP C1902 -10.831 -11.021 7.118 1.00 0.60 H new ATOM 0 HB3 ASP C1902 -9.917 -10.495 5.719 1.00 0.60 H new ATOM 105 N ALA C1903 -9.267 -7.678 5.426 1.00 0.36 N ATOM 106 CA ALA C1903 -8.294 -6.907 4.675 1.00 0.46 C ATOM 107 C ALA C1903 -7.884 -5.649 5.427 1.00 0.37 C ATOM 108 O ALA C1903 -6.735 -5.509 5.843 1.00 0.37 O ATOM 109 CB ALA C1903 -8.855 -6.538 3.316 1.00 0.66 C ATOM 0 H ALA C1903 -10.162 -7.800 4.953 1.00 0.36 H new ATOM 0 HA ALA C1903 -7.407 -7.526 4.543 1.00 0.46 H new ATOM 0 HB1 ALA C1903 -8.116 -5.960 2.762 1.00 0.66 H new ATOM 0 HB2 ALA C1903 -9.094 -7.446 2.763 1.00 0.66 H new ATOM 0 HB3 ALA C1903 -9.759 -5.943 3.445 1.00 0.66 H new ATOM 115 N THR C1904 -8.832 -4.746 5.624 1.00 0.37 N ATOM 116 CA THR C1904 -8.526 -3.453 6.203 1.00 0.36 C ATOM 117 C THR C1904 -8.607 -3.479 7.724 1.00 0.34 C ATOM 118 O THR C1904 -8.376 -2.469 8.382 1.00 0.36 O ATOM 119 CB THR C1904 -9.443 -2.363 5.630 1.00 0.40 C ATOM 120 OG1 THR C1904 -10.813 -2.708 5.845 1.00 0.42 O ATOM 121 CG2 THR C1904 -9.187 -2.195 4.139 1.00 0.40 C ATOM 0 H THR C1904 -9.815 -4.886 5.392 1.00 0.37 H new ATOM 0 HA THR C1904 -7.497 -3.215 5.933 1.00 0.36 H new ATOM 0 HB THR C1904 -9.227 -1.424 6.139 1.00 0.40 H new ATOM 0 HG1 THR C1904 -11.027 -3.523 5.345 1.00 0.42 H new ATOM 0 HG21 THR C1904 -9.842 -1.420 3.742 1.00 0.40 H new ATOM 0 HG22 THR C1904 -8.148 -1.909 3.978 1.00 0.40 H new ATOM 0 HG23 THR C1904 -9.387 -3.136 3.627 1.00 0.40 H new ATOM 129 N GLU C1905 -8.929 -4.636 8.286 1.00 0.32 N ATOM 130 CA GLU C1905 -8.788 -4.848 9.721 1.00 0.32 C ATOM 131 C GLU C1905 -7.343 -4.583 10.090 1.00 0.28 C ATOM 132 O GLU C1905 -7.024 -3.873 11.043 1.00 0.32 O ATOM 133 CB GLU C1905 -9.105 -6.292 10.065 1.00 0.36 C ATOM 134 CG GLU C1905 -9.354 -6.548 11.543 1.00 0.62 C ATOM 135 CD GLU C1905 -10.621 -5.891 12.047 1.00 1.25 C ATOM 136 OE1 GLU C1905 -11.719 -6.302 11.619 1.00 2.06 O ATOM 137 OE2 GLU C1905 -10.521 -4.942 12.856 1.00 1.76 O ATOM 0 H GLU C1905 -9.289 -5.440 7.772 1.00 0.32 H new ATOM 0 HA GLU C1905 -9.467 -4.187 10.260 1.00 0.32 H new ATOM 0 HB2 GLU C1905 -9.986 -6.601 9.502 1.00 0.36 H new ATOM 0 HB3 GLU C1905 -8.278 -6.921 9.734 1.00 0.36 H new ATOM 0 HG2 GLU C1905 -9.414 -7.623 11.716 1.00 0.62 H new ATOM 0 HG3 GLU C1905 -8.505 -6.179 12.119 1.00 0.62 H new ATOM 144 N THR C1906 -6.479 -5.165 9.274 1.00 0.25 N ATOM 145 CA THR C1906 -5.047 -5.039 9.412 1.00 0.24 C ATOM 146 C THR C1906 -4.568 -3.655 8.975 1.00 0.21 C ATOM 147 O THR C1906 -3.400 -3.308 9.163 1.00 0.19 O ATOM 148 CB THR C1906 -4.356 -6.121 8.566 1.00 0.29 C ATOM 149 OG1 THR C1906 -5.339 -6.810 7.775 1.00 0.48 O ATOM 150 CG2 THR C1906 -3.623 -7.120 9.447 1.00 0.47 C ATOM 0 H THR C1906 -6.763 -5.747 8.486 1.00 0.25 H new ATOM 0 HA THR C1906 -4.789 -5.168 10.463 1.00 0.24 H new ATOM 0 HB THR C1906 -3.627 -5.636 7.917 1.00 0.29 H new ATOM 0 HG1 THR C1906 -5.659 -6.218 7.062 1.00 0.48 H new ATOM 0 HG21 THR C1906 -3.144 -7.873 8.822 1.00 0.47 H new ATOM 0 HG22 THR C1906 -2.866 -6.600 10.034 1.00 0.47 H new ATOM 0 HG23 THR C1906 -4.333 -7.603 10.118 1.00 0.47 H new ATOM 158 N ALA C1907 -5.477 -2.859 8.405 1.00 0.23 N ATOM 159 CA ALA C1907 -5.118 -1.536 7.919 1.00 0.21 C ATOM 160 C ALA C1907 -4.694 -0.642 9.070 1.00 0.21 C ATOM 161 O ALA C1907 -3.646 -0.003 9.008 1.00 0.21 O ATOM 162 CB ALA C1907 -6.250 -0.889 7.127 1.00 0.22 C ATOM 0 H ALA C1907 -6.457 -3.110 8.272 1.00 0.23 H new ATOM 0 HA ALA C1907 -4.276 -1.659 7.238 1.00 0.21 H new ATOM 0 HB1 ALA C1907 -5.937 0.097 6.784 1.00 0.22 H new ATOM 0 HB2 ALA C1907 -6.494 -1.512 6.266 1.00 0.22 H new ATOM 0 HB3 ALA C1907 -7.129 -0.789 7.764 1.00 0.22 H new ATOM 168 N ASP C1908 -5.512 -0.604 10.116 1.00 0.24 N ATOM 169 CA ASP C1908 -5.177 0.151 11.323 1.00 0.26 C ATOM 170 C ASP C1908 -3.792 -0.248 11.836 1.00 0.27 C ATOM 171 O ASP C1908 -2.983 0.612 12.185 1.00 0.34 O ATOM 172 CB ASP C1908 -6.225 -0.086 12.413 1.00 0.33 C ATOM 173 CG ASP C1908 -6.096 0.882 13.577 1.00 0.44 C ATOM 174 OD1 ASP C1908 -5.098 0.807 14.322 1.00 0.68 O ATOM 175 OD2 ASP C1908 -7.008 1.718 13.762 1.00 0.58 O ATOM 0 H ASP C1908 -6.410 -1.085 10.155 1.00 0.24 H new ATOM 0 HA ASP C1908 -5.167 1.211 11.070 1.00 0.26 H new ATOM 0 HB2 ASP C1908 -7.221 0.006 11.979 1.00 0.33 H new ATOM 0 HB3 ASP C1908 -6.132 -1.107 12.784 1.00 0.33 H new ATOM 180 N ALA C1909 -3.515 -1.555 11.849 1.00 0.23 N ATOM 181 CA ALA C1909 -2.222 -2.067 12.306 1.00 0.24 C ATOM 182 C ALA C1909 -1.072 -1.473 11.490 1.00 0.22 C ATOM 183 O ALA C1909 -0.200 -0.792 12.038 1.00 0.24 O ATOM 184 CB ALA C1909 -2.196 -3.586 12.229 1.00 0.27 C ATOM 0 H ALA C1909 -4.170 -2.277 11.548 1.00 0.23 H new ATOM 0 HA ALA C1909 -2.089 -1.765 13.345 1.00 0.24 H new ATOM 0 HB1 ALA C1909 -1.228 -3.951 12.572 1.00 0.27 H new ATOM 0 HB2 ALA C1909 -2.983 -3.996 12.861 1.00 0.27 H new ATOM 0 HB3 ALA C1909 -2.358 -3.901 11.198 1.00 0.27 H new ATOM 190 N MET C1910 -1.070 -1.753 10.187 1.00 0.19 N ATOM 191 CA MET C1910 -0.124 -1.142 9.256 1.00 0.19 C ATOM 192 C MET C1910 -0.036 0.371 9.430 1.00 0.19 C ATOM 193 O MET C1910 1.046 0.916 9.456 1.00 0.22 O ATOM 194 CB MET C1910 -0.523 -1.478 7.815 1.00 0.18 C ATOM 195 CG MET C1910 0.166 -0.634 6.740 1.00 0.20 C ATOM 196 SD MET C1910 -0.182 -1.271 5.097 1.00 0.20 S ATOM 197 CE MET C1910 0.226 -3.003 5.321 1.00 0.14 C ATOM 0 H MET C1910 -1.720 -2.406 9.750 1.00 0.19 H new ATOM 0 HA MET C1910 0.862 -1.553 9.475 1.00 0.19 H new ATOM 0 HB2 MET C1910 -0.301 -2.529 7.628 1.00 0.18 H new ATOM 0 HB3 MET C1910 -1.602 -1.357 7.715 1.00 0.18 H new ATOM 0 HG2 MET C1910 -0.173 0.400 6.812 1.00 0.20 H new ATOM 0 HG3 MET C1910 1.242 -0.629 6.911 1.00 0.20 H new ATOM 0 HE1 MET C1910 0.165 -3.518 4.362 1.00 0.14 H new ATOM 0 HE2 MET C1910 1.238 -3.090 5.716 1.00 0.14 H new ATOM 0 HE3 MET C1910 -0.477 -3.455 6.021 1.00 0.14 H new ATOM 207 N ASN C1911 -1.171 1.033 9.573 1.00 0.21 N ATOM 208 CA ASN C1911 -1.218 2.500 9.635 1.00 0.22 C ATOM 209 C ASN C1911 -0.366 3.060 10.763 1.00 0.23 C ATOM 210 O ASN C1911 0.311 4.077 10.603 1.00 0.27 O ATOM 211 CB ASN C1911 -2.655 2.947 9.847 1.00 0.24 C ATOM 212 CG ASN C1911 -2.815 4.437 9.740 1.00 0.25 C ATOM 213 OD1 ASN C1911 -3.079 4.897 8.536 1.00 0.42 O flip ATOM 214 ND2 ASN C1911 -2.695 5.164 10.723 1.00 0.25 N flip ATOM 0 H ASN C1911 -2.083 0.582 9.650 1.00 0.21 H new ATOM 0 HA ASN C1911 -0.821 2.878 8.693 1.00 0.22 H new ATOM 0 HB2 ASN C1911 -3.296 2.462 9.110 1.00 0.24 H new ATOM 0 HB3 ASN C1911 -2.993 2.618 10.829 1.00 0.24 H new ATOM 0 HD21 ASN C1911 -2.490 4.758 11.636 1.00 0.25 H new ATOM 0 HD22 ASN C1911 -2.801 6.174 10.626 1.00 0.25 H new ATOM 221 N ARG C1912 -0.408 2.404 11.902 1.00 0.23 N ATOM 222 CA ARG C1912 0.310 2.860 13.059 1.00 0.26 C ATOM 223 C ARG C1912 1.801 2.873 12.789 1.00 0.28 C ATOM 224 O ARG C1912 2.476 3.882 12.979 1.00 0.38 O ATOM 225 CB ARG C1912 -0.013 1.946 14.220 1.00 0.30 C ATOM 226 CG ARG C1912 -1.501 1.871 14.529 1.00 0.75 C ATOM 227 CD ARG C1912 -2.167 3.234 14.410 1.00 1.46 C ATOM 228 NE ARG C1912 -3.627 3.141 14.452 1.00 2.17 N ATOM 229 CZ ARG C1912 -4.438 4.187 14.606 1.00 2.91 C ATOM 230 NH1 ARG C1912 -3.937 5.406 14.780 1.00 3.13 N ATOM 231 NH2 ARG C1912 -5.754 4.015 14.590 1.00 3.76 N ATOM 0 H ARG C1912 -0.939 1.545 12.046 1.00 0.23 H new ATOM 0 HA ARG C1912 0.008 3.879 13.300 1.00 0.26 H new ATOM 0 HB2 ARG C1912 0.356 0.945 13.999 1.00 0.30 H new ATOM 0 HB3 ARG C1912 0.518 2.293 15.106 1.00 0.30 H new ATOM 0 HG2 ARG C1912 -1.980 1.170 13.845 1.00 0.75 H new ATOM 0 HG3 ARG C1912 -1.645 1.482 15.537 1.00 0.75 H new ATOM 0 HD2 ARG C1912 -1.822 3.877 15.220 1.00 1.46 H new ATOM 0 HD3 ARG C1912 -1.861 3.706 13.476 1.00 1.46 H new ATOM 0 HE ARG C1912 -4.050 2.218 14.357 1.00 2.17 H new ATOM 0 HH11 ARG C1912 -2.927 5.545 14.796 1.00 3.13 H new ATOM 0 HH12 ARG C1912 -4.563 6.203 14.897 1.00 3.13 H new ATOM 0 HH21 ARG C1912 -6.145 3.082 14.460 1.00 3.76 H new ATOM 0 HH22 ARG C1912 -6.374 4.816 14.708 1.00 3.76 H new ATOM 245 N GLU C1913 2.291 1.750 12.317 1.00 0.23 N ATOM 246 CA GLU C1913 3.695 1.607 11.989 1.00 0.25 C ATOM 247 C GLU C1913 4.038 2.300 10.673 1.00 0.22 C ATOM 248 O GLU C1913 5.153 2.744 10.498 1.00 0.27 O ATOM 249 CB GLU C1913 4.063 0.130 11.902 1.00 0.29 C ATOM 250 CG GLU C1913 3.326 -0.608 10.800 1.00 0.29 C ATOM 251 CD GLU C1913 3.766 -2.045 10.680 1.00 0.39 C ATOM 252 OE1 GLU C1913 4.981 -2.313 10.768 1.00 0.79 O ATOM 253 OE2 GLU C1913 2.900 -2.914 10.469 1.00 0.57 O ATOM 0 H GLU C1913 1.733 0.913 12.149 1.00 0.23 H new ATOM 0 HA GLU C1913 4.271 2.083 12.782 1.00 0.25 H new ATOM 0 HB2 GLU C1913 5.136 0.039 11.736 1.00 0.29 H new ATOM 0 HB3 GLU C1913 3.847 -0.348 12.857 1.00 0.29 H new ATOM 0 HG2 GLU C1913 2.254 -0.574 10.997 1.00 0.29 H new ATOM 0 HG3 GLU C1913 3.492 -0.099 9.851 1.00 0.29 H new ATOM 260 N VAL C1914 3.075 2.384 9.755 1.00 0.19 N ATOM 261 CA VAL C1914 3.308 2.946 8.422 1.00 0.20 C ATOM 262 C VAL C1914 3.577 4.435 8.505 1.00 0.18 C ATOM 263 O VAL C1914 4.376 4.980 7.744 1.00 0.20 O ATOM 264 CB VAL C1914 2.096 2.719 7.474 1.00 0.24 C ATOM 265 CG1 VAL C1914 1.012 3.757 7.684 1.00 0.26 C ATOM 266 CG2 VAL C1914 2.519 2.731 6.028 1.00 0.29 C ATOM 0 H VAL C1914 2.118 2.067 9.911 1.00 0.19 H new ATOM 0 HA VAL C1914 4.177 2.428 8.016 1.00 0.20 H new ATOM 0 HB VAL C1914 1.693 1.737 7.722 1.00 0.24 H new ATOM 0 HG11 VAL C1914 0.184 3.562 7.002 1.00 0.26 H new ATOM 0 HG12 VAL C1914 0.655 3.707 8.712 1.00 0.26 H new ATOM 0 HG13 VAL C1914 1.416 4.750 7.489 1.00 0.26 H new ATOM 0 HG21 VAL C1914 1.648 2.570 5.393 1.00 0.29 H new ATOM 0 HG22 VAL C1914 2.969 3.694 5.789 1.00 0.29 H new ATOM 0 HG23 VAL C1914 3.246 1.938 5.855 1.00 0.29 H new ATOM 276 N SER C1915 2.906 5.085 9.435 1.00 0.21 N ATOM 277 CA SER C1915 3.022 6.510 9.596 1.00 0.28 C ATOM 278 C SER C1915 4.371 6.830 10.216 1.00 0.28 C ATOM 279 O SER C1915 4.949 7.894 10.000 1.00 0.36 O ATOM 280 CB SER C1915 1.855 7.007 10.431 1.00 0.36 C ATOM 281 OG SER C1915 1.802 6.356 11.689 1.00 1.31 O ATOM 0 H SER C1915 2.269 4.638 10.095 1.00 0.21 H new ATOM 0 HA SER C1915 2.978 7.024 8.636 1.00 0.28 H new ATOM 0 HB2 SER C1915 1.945 8.083 10.580 1.00 0.36 H new ATOM 0 HB3 SER C1915 0.923 6.837 9.893 1.00 0.36 H new ATOM 0 HG SER C1915 1.293 5.523 11.605 1.00 1.31 H new ATOM 287 N SER C1916 4.867 5.882 10.989 1.00 0.25 N ATOM 288 CA SER C1916 6.230 5.911 11.449 1.00 0.27 C ATOM 289 C SER C1916 7.166 5.401 10.345 1.00 0.27 C ATOM 290 O SER C1916 8.311 5.832 10.241 1.00 0.29 O ATOM 291 CB SER C1916 6.337 5.048 12.701 1.00 0.31 C ATOM 292 OG SER C1916 5.368 5.437 13.660 1.00 1.04 O ATOM 0 H SER C1916 4.333 5.075 11.311 1.00 0.25 H new ATOM 0 HA SER C1916 6.527 6.932 11.691 1.00 0.27 H new ATOM 0 HB2 SER C1916 6.197 3.999 12.439 1.00 0.31 H new ATOM 0 HB3 SER C1916 7.336 5.139 13.128 1.00 0.31 H new ATOM 0 HG SER C1916 4.523 4.976 13.477 1.00 1.04 H new ATOM 298 N LEU C1917 6.647 4.503 9.502 1.00 0.30 N ATOM 299 CA LEU C1917 7.435 3.852 8.465 1.00 0.30 C ATOM 300 C LEU C1917 7.835 4.798 7.371 1.00 0.26 C ATOM 301 O LEU C1917 9.019 4.962 7.100 1.00 0.26 O ATOM 302 CB LEU C1917 6.701 2.688 7.810 1.00 0.42 C ATOM 303 CG LEU C1917 7.516 1.999 6.716 1.00 0.57 C ATOM 304 CD1 LEU C1917 8.923 1.789 7.188 1.00 1.25 C ATOM 305 CD2 LEU C1917 6.926 0.674 6.334 1.00 1.16 C ATOM 0 H LEU C1917 5.670 4.211 9.524 1.00 0.30 H new ATOM 0 HA LEU C1917 8.319 3.485 8.987 1.00 0.30 H new ATOM 0 HB2 LEU C1917 6.439 1.956 8.574 1.00 0.42 H new ATOM 0 HB3 LEU C1917 5.766 3.051 7.383 1.00 0.42 H new ATOM 0 HG LEU C1917 7.502 2.646 5.839 1.00 0.57 H new ATOM 0 HD11 LEU C1917 9.500 1.298 6.405 1.00 1.25 H new ATOM 0 HD12 LEU C1917 9.376 2.752 7.422 1.00 1.25 H new ATOM 0 HD13 LEU C1917 8.918 1.164 8.081 1.00 1.25 H new ATOM 0 HD21 LEU C1917 7.534 0.216 5.554 1.00 1.16 H new ATOM 0 HD22 LEU C1917 6.903 0.021 7.206 1.00 1.16 H new ATOM 0 HD23 LEU C1917 5.911 0.821 5.964 1.00 1.16 H new ATOM 317 N LYS C1918 6.860 5.397 6.712 1.00 0.28 N ATOM 318 CA LYS C1918 7.180 6.280 5.609 1.00 0.29 C ATOM 319 C LYS C1918 8.071 7.432 6.106 1.00 0.32 C ATOM 320 O LYS C1918 8.701 8.123 5.323 1.00 0.38 O ATOM 321 CB LYS C1918 5.919 6.786 4.888 1.00 0.39 C ATOM 322 CG LYS C1918 5.490 8.177 5.277 1.00 0.29 C ATOM 323 CD LYS C1918 4.880 8.183 6.664 1.00 0.40 C ATOM 324 CE LYS C1918 5.219 9.446 7.413 1.00 0.69 C ATOM 325 NZ LYS C1918 4.733 10.673 6.725 1.00 1.36 N ATOM 0 H LYS C1918 5.866 5.292 6.914 1.00 0.28 H new ATOM 0 HA LYS C1918 7.739 5.714 4.864 1.00 0.29 H new ATOM 0 HB2 LYS C1918 6.097 6.762 3.813 1.00 0.39 H new ATOM 0 HB3 LYS C1918 5.099 6.097 5.091 1.00 0.39 H new ATOM 0 HG2 LYS C1918 6.348 8.848 5.249 1.00 0.29 H new ATOM 0 HG3 LYS C1918 4.766 8.555 4.555 1.00 0.29 H new ATOM 0 HD2 LYS C1918 3.797 8.085 6.586 1.00 0.40 H new ATOM 0 HD3 LYS C1918 5.239 7.320 7.224 1.00 0.40 H new ATOM 0 HE2 LYS C1918 4.784 9.399 8.411 1.00 0.69 H new ATOM 0 HE3 LYS C1918 6.300 9.509 7.539 1.00 0.69 H new ATOM 0 HZ1 LYS C1918 4.745 11.472 7.390 1.00 1.36 H new ATOM 0 HZ2 LYS C1918 5.352 10.886 5.917 1.00 1.36 H new ATOM 0 HZ3 LYS C1918 3.762 10.520 6.386 1.00 1.36 H new ATOM 339 N ASN C1919 8.127 7.588 7.436 1.00 0.31 N ATOM 340 CA ASN C1919 8.987 8.566 8.095 1.00 0.33 C ATOM 341 C ASN C1919 10.392 7.997 8.338 1.00 0.32 C ATOM 342 O ASN C1919 11.377 8.736 8.294 1.00 0.41 O ATOM 343 CB ASN C1919 8.361 8.997 9.428 1.00 0.37 C ATOM 344 CG ASN C1919 9.222 9.980 10.206 1.00 0.43 C ATOM 345 OD1 ASN C1919 9.947 10.788 9.627 1.00 1.05 O ATOM 346 ND2 ASN C1919 9.139 9.922 11.526 1.00 1.15 N ATOM 0 H ASN C1919 7.570 7.032 8.085 1.00 0.31 H new ATOM 0 HA ASN C1919 9.080 9.432 7.439 1.00 0.33 H new ATOM 0 HB2 ASN C1919 7.388 9.450 9.235 1.00 0.37 H new ATOM 0 HB3 ASN C1919 8.185 8.113 10.042 1.00 0.37 H new ATOM 0 HD21 ASN C1919 9.688 10.562 12.100 1.00 1.15 H new ATOM 0 HD22 ASN C1919 8.526 9.238 11.969 1.00 1.15 H new ATOM 353 N LYS C1920 10.500 6.683 8.559 1.00 0.28 N ATOM 354 CA LYS C1920 11.801 6.072 8.760 1.00 0.37 C ATOM 355 C LYS C1920 12.417 5.845 7.408 1.00 0.41 C ATOM 356 O LYS C1920 13.631 5.915 7.245 1.00 0.53 O ATOM 357 CB LYS C1920 11.767 4.764 9.599 1.00 0.48 C ATOM 358 CG LYS C1920 10.520 3.870 9.483 1.00 0.33 C ATOM 359 CD LYS C1920 10.634 2.671 10.425 1.00 0.44 C ATOM 360 CE LYS C1920 9.384 1.801 10.394 1.00 1.36 C ATOM 361 NZ LYS C1920 9.562 0.508 11.110 1.00 1.64 N ATOM 0 H LYS C1920 9.711 6.038 8.601 1.00 0.28 H new ATOM 0 HA LYS C1920 12.408 6.754 9.355 1.00 0.37 H new ATOM 0 HB2 LYS C1920 12.635 4.166 9.322 1.00 0.48 H new ATOM 0 HB3 LYS C1920 11.888 5.035 10.648 1.00 0.48 H new ATOM 0 HG2 LYS C1920 9.627 4.447 9.725 1.00 0.33 H new ATOM 0 HG3 LYS C1920 10.407 3.524 8.456 1.00 0.33 H new ATOM 0 HD2 LYS C1920 11.500 2.071 10.146 1.00 0.44 H new ATOM 0 HD3 LYS C1920 10.805 3.024 11.442 1.00 0.44 H new ATOM 0 HE2 LYS C1920 8.555 2.348 10.843 1.00 1.36 H new ATOM 0 HE3 LYS C1920 9.111 1.602 9.358 1.00 1.36 H new ATOM 0 HZ1 LYS C1920 8.681 -0.042 11.057 1.00 1.64 H new ATOM 0 HZ2 LYS C1920 10.334 -0.030 10.668 1.00 1.64 H new ATOM 0 HZ3 LYS C1920 9.795 0.692 12.107 1.00 1.64 H new ATOM 375 N LEU C1921 11.557 5.637 6.426 1.00 0.38 N ATOM 376 CA LEU C1921 11.991 5.523 5.055 1.00 0.46 C ATOM 377 C LEU C1921 12.178 6.907 4.447 1.00 0.59 C ATOM 378 O LEU C1921 12.687 7.056 3.342 1.00 0.92 O ATOM 379 CB LEU C1921 10.999 4.700 4.238 1.00 0.44 C ATOM 380 CG LEU C1921 10.691 3.307 4.790 1.00 0.38 C ATOM 381 CD1 LEU C1921 9.991 2.483 3.739 1.00 0.40 C ATOM 382 CD2 LEU C1921 11.948 2.594 5.255 1.00 0.48 C ATOM 0 H LEU C1921 10.550 5.544 6.560 1.00 0.38 H new ATOM 0 HA LEU C1921 12.949 5.004 5.037 1.00 0.46 H new ATOM 0 HB2 LEU C1921 10.065 5.257 4.163 1.00 0.44 H new ATOM 0 HB3 LEU C1921 11.388 4.593 3.226 1.00 0.44 H new ATOM 0 HG LEU C1921 10.040 3.429 5.656 1.00 0.38 H new ATOM 0 HD11 LEU C1921 9.774 1.492 4.138 1.00 0.40 H new ATOM 0 HD12 LEU C1921 9.059 2.971 3.455 1.00 0.40 H new ATOM 0 HD13 LEU C1921 10.633 2.389 2.863 1.00 0.40 H new ATOM 0 HD21 LEU C1921 11.686 1.608 5.640 1.00 0.48 H new ATOM 0 HD22 LEU C1921 12.636 2.485 4.416 1.00 0.48 H new ATOM 0 HD23 LEU C1921 12.426 3.176 6.043 1.00 0.48 H new ATOM 394 N ARG C1922 11.757 7.920 5.186 1.00 0.49 N ATOM 395 CA ARG C1922 12.068 9.300 4.851 1.00 0.66 C ATOM 396 C ARG C1922 13.420 9.668 5.440 1.00 0.65 C ATOM 397 O ARG C1922 13.900 10.793 5.294 1.00 0.78 O ATOM 398 CB ARG C1922 10.995 10.248 5.396 1.00 0.87 C ATOM 399 CG ARG C1922 9.909 10.616 4.399 1.00 1.15 C ATOM 400 CD ARG C1922 10.488 11.093 3.077 1.00 1.07 C ATOM 401 NE ARG C1922 9.496 11.818 2.289 1.00 1.64 N ATOM 402 CZ ARG C1922 9.717 12.304 1.071 1.00 2.45 C ATOM 403 NH1 ARG C1922 10.908 12.165 0.499 1.00 2.92 N ATOM 404 NH2 ARG C1922 8.738 12.927 0.429 1.00 3.23 N ATOM 0 H ARG C1922 11.194 7.811 6.029 1.00 0.49 H new ATOM 0 HA ARG C1922 12.096 9.398 3.766 1.00 0.66 H new ATOM 0 HB2 ARG C1922 10.529 9.786 6.266 1.00 0.87 H new ATOM 0 HB3 ARG C1922 11.478 11.162 5.741 1.00 0.87 H new ATOM 0 HG2 ARG C1922 9.270 9.751 4.224 1.00 1.15 H new ATOM 0 HG3 ARG C1922 9.278 11.398 4.822 1.00 1.15 H new ATOM 0 HD2 ARG C1922 11.346 11.738 3.266 1.00 1.07 H new ATOM 0 HD3 ARG C1922 10.852 10.237 2.508 1.00 1.07 H new ATOM 0 HE ARG C1922 8.573 11.961 2.699 1.00 1.64 H new ATOM 0 HH11 ARG C1922 11.659 11.684 0.994 1.00 2.92 H new ATOM 0 HH12 ARG C1922 11.072 12.540 -0.435 1.00 2.92 H new ATOM 0 HH21 ARG C1922 7.824 13.030 0.870 1.00 3.23 H new ATOM 0 HH22 ARG C1922 8.899 13.303 -0.505 1.00 3.23 H new ATOM 461 N LEU C1926 18.126 6.345 3.859 1.00 0.64 N ATOM 462 CA LEU C1926 17.474 5.463 2.909 1.00 0.60 C ATOM 463 C LEU C1926 17.944 5.707 1.479 1.00 0.54 C ATOM 464 O LEU C1926 18.021 6.847 1.019 1.00 0.72 O ATOM 465 CB LEU C1926 15.955 5.641 2.986 1.00 0.93 C ATOM 466 CG LEU C1926 15.192 4.653 3.881 1.00 0.48 C ATOM 467 CD1 LEU C1926 13.991 4.143 3.105 1.00 0.56 C ATOM 468 CD2 LEU C1926 16.072 3.482 4.289 1.00 0.57 C ATOM 0 HA LEU C1926 17.745 4.442 3.178 1.00 0.60 H new ATOM 0 HB2 LEU C1926 15.748 6.651 3.339 1.00 0.93 H new ATOM 0 HB3 LEU C1926 15.552 5.568 1.976 1.00 0.93 H new ATOM 0 HG LEU C1926 14.878 5.164 4.792 1.00 0.48 H new ATOM 0 HD11 LEU C1926 13.432 3.438 3.721 1.00 0.56 H new ATOM 0 HD12 LEU C1926 13.347 4.981 2.838 1.00 0.56 H new ATOM 0 HD13 LEU C1926 14.330 3.643 2.198 1.00 0.56 H new ATOM 0 HD21 LEU C1926 15.502 2.802 4.922 1.00 0.57 H new ATOM 0 HD22 LEU C1926 16.409 2.952 3.398 1.00 0.57 H new ATOM 0 HD23 LEU C1926 16.937 3.851 4.840 1.00 0.57 H new ATOM 480 N PRO C1927 18.264 4.621 0.759 1.00 0.46 N ATOM 481 CA PRO C1927 18.646 4.685 -0.648 1.00 0.55 C ATOM 482 C PRO C1927 17.425 4.683 -1.549 1.00 0.63 C ATOM 483 O PRO C1927 17.537 4.578 -2.771 1.00 1.12 O ATOM 484 CB PRO C1927 19.433 3.395 -0.836 1.00 0.54 C ATOM 485 CG PRO C1927 18.775 2.427 0.089 1.00 0.44 C ATOM 486 CD PRO C1927 18.284 3.236 1.266 1.00 0.41 C ATOM 0 HA PRO C1927 19.202 5.588 -0.898 1.00 0.55 H new ATOM 0 HB2 PRO C1927 19.391 3.050 -1.869 1.00 0.54 H new ATOM 0 HB3 PRO C1927 20.486 3.531 -0.588 1.00 0.54 H new ATOM 0 HG2 PRO C1927 17.948 1.917 -0.405 1.00 0.44 H new ATOM 0 HG3 PRO C1927 19.477 1.658 0.411 1.00 0.44 H new ATOM 0 HD2 PRO C1927 17.294 2.914 1.587 1.00 0.41 H new ATOM 0 HD3 PRO C1927 18.947 3.134 2.125 1.00 0.41 H new ATOM 494 N PHE C1928 16.264 4.789 -0.922 1.00 0.30 N ATOM 495 CA PHE C1928 15.004 4.698 -1.618 1.00 0.27 C ATOM 496 C PHE C1928 13.981 5.597 -0.950 1.00 0.27 C ATOM 497 O PHE C1928 13.803 5.549 0.266 1.00 0.31 O ATOM 498 CB PHE C1928 14.556 3.232 -1.663 1.00 0.24 C ATOM 499 CG PHE C1928 13.272 2.901 -0.986 1.00 0.23 C ATOM 500 CD1 PHE C1928 12.076 3.453 -1.390 1.00 0.30 C ATOM 501 CD2 PHE C1928 13.274 2.011 0.051 1.00 0.26 C ATOM 502 CE1 PHE C1928 10.910 3.121 -0.765 1.00 0.33 C ATOM 503 CE2 PHE C1928 12.104 1.666 0.682 1.00 0.29 C ATOM 504 CZ PHE C1928 10.924 2.226 0.273 1.00 0.27 C ATOM 0 H PHE C1928 16.176 4.940 0.083 1.00 0.30 H new ATOM 0 HA PHE C1928 15.111 5.043 -2.646 1.00 0.27 H new ATOM 0 HB2 PHE C1928 14.476 2.933 -2.708 1.00 0.24 H new ATOM 0 HB3 PHE C1928 15.342 2.623 -1.217 1.00 0.24 H new ATOM 0 HD1 PHE C1928 12.062 4.156 -2.210 1.00 0.30 H new ATOM 0 HD2 PHE C1928 14.206 1.574 0.378 1.00 0.26 H new ATOM 0 HE1 PHE C1928 9.978 3.562 -1.087 1.00 0.33 H new ATOM 0 HE2 PHE C1928 12.115 0.957 1.496 1.00 0.29 H new ATOM 0 HZ PHE C1928 10.002 1.962 0.769 1.00 0.27 H new ATOM 514 N VAL C1929 13.309 6.392 -1.768 1.00 0.25 N ATOM 515 CA VAL C1929 12.357 7.399 -1.319 1.00 0.25 C ATOM 516 C VAL C1929 11.531 7.861 -2.498 1.00 0.25 C ATOM 517 O VAL C1929 11.905 7.635 -3.645 1.00 0.27 O ATOM 518 CB VAL C1929 13.069 8.643 -0.771 1.00 0.29 C ATOM 519 CG1 VAL C1929 13.669 8.388 0.591 1.00 0.62 C ATOM 520 CG2 VAL C1929 14.135 9.052 -1.759 1.00 0.62 C ATOM 0 H VAL C1929 13.411 6.356 -2.782 1.00 0.25 H new ATOM 0 HA VAL C1929 11.747 6.945 -0.538 1.00 0.25 H new ATOM 0 HB VAL C1929 12.344 9.447 -0.647 1.00 0.29 H new ATOM 0 HG11 VAL C1929 14.164 9.292 0.945 1.00 0.62 H new ATOM 0 HG12 VAL C1929 12.880 8.109 1.290 1.00 0.62 H new ATOM 0 HG13 VAL C1929 14.396 7.579 0.523 1.00 0.62 H new ATOM 0 HG21 VAL C1929 14.654 9.936 -1.389 1.00 0.62 H new ATOM 0 HG22 VAL C1929 14.848 8.237 -1.883 1.00 0.62 H new ATOM 0 HG23 VAL C1929 13.673 9.279 -2.720 1.00 0.62 H new ATOM 530 N VAL C1930 10.437 8.537 -2.231 1.00 0.26 N ATOM 531 CA VAL C1930 9.670 9.131 -3.304 1.00 0.26 C ATOM 532 C VAL C1930 10.398 10.355 -3.856 1.00 0.29 C ATOM 533 O VAL C1930 10.670 11.317 -3.131 1.00 0.32 O ATOM 534 CB VAL C1930 8.260 9.538 -2.856 1.00 0.28 C ATOM 535 CG1 VAL C1930 7.488 10.141 -4.021 1.00 0.34 C ATOM 536 CG2 VAL C1930 7.526 8.341 -2.284 1.00 0.32 C ATOM 0 H VAL C1930 10.062 8.689 -1.295 1.00 0.26 H new ATOM 0 HA VAL C1930 9.568 8.373 -4.081 1.00 0.26 H new ATOM 0 HB VAL C1930 8.343 10.294 -2.075 1.00 0.28 H new ATOM 0 HG11 VAL C1930 6.490 10.425 -3.688 1.00 0.34 H new ATOM 0 HG12 VAL C1930 8.013 11.023 -4.387 1.00 0.34 H new ATOM 0 HG13 VAL C1930 7.408 9.407 -4.823 1.00 0.34 H new ATOM 0 HG21 VAL C1930 6.527 8.643 -1.970 1.00 0.32 H new ATOM 0 HG22 VAL C1930 7.448 7.564 -3.045 1.00 0.32 H new ATOM 0 HG23 VAL C1930 8.075 7.954 -1.425 1.00 0.32 H new ATOM 546 N PRO C1931 10.742 10.314 -5.142 1.00 0.34 N ATOM 547 CA PRO C1931 11.430 11.398 -5.831 1.00 0.42 C ATOM 548 C PRO C1931 10.460 12.456 -6.325 1.00 0.45 C ATOM 549 O PRO C1931 9.248 12.310 -6.177 1.00 0.45 O ATOM 550 CB PRO C1931 12.068 10.681 -7.012 1.00 0.56 C ATOM 551 CG PRO C1931 11.063 9.645 -7.366 1.00 0.48 C ATOM 552 CD PRO C1931 10.471 9.187 -6.057 1.00 0.36 C ATOM 0 HA PRO C1931 12.136 11.926 -5.190 1.00 0.42 H new ATOM 0 HB2 PRO C1931 12.254 11.361 -7.843 1.00 0.56 H new ATOM 0 HB3 PRO C1931 13.026 10.237 -6.743 1.00 0.56 H new ATOM 0 HG2 PRO C1931 10.294 10.053 -8.022 1.00 0.48 H new ATOM 0 HG3 PRO C1931 11.527 8.814 -7.898 1.00 0.48 H new ATOM 0 HD2 PRO C1931 9.403 8.991 -6.147 1.00 0.36 H new ATOM 0 HD3 PRO C1931 10.936 8.265 -5.707 1.00 0.36 H new ATOM 560 N ARG C1932 10.993 13.541 -6.855 1.00 0.54 N ATOM 561 CA ARG C1932 10.171 14.500 -7.566 1.00 0.70 C ATOM 562 C ARG C1932 9.516 13.791 -8.750 1.00 0.89 C ATOM 563 O ARG C1932 10.204 13.105 -9.513 1.00 1.79 O ATOM 564 CB ARG C1932 11.015 15.685 -8.035 1.00 0.83 C ATOM 565 CG ARG C1932 11.834 16.313 -6.918 1.00 1.53 C ATOM 566 CD ARG C1932 12.539 17.576 -7.375 1.00 2.00 C ATOM 567 NE ARG C1932 11.601 18.674 -7.601 1.00 2.79 N ATOM 568 CZ ARG C1932 11.813 19.922 -7.187 1.00 3.62 C ATOM 569 NH1 ARG C1932 12.942 20.232 -6.565 1.00 3.88 N ATOM 570 NH2 ARG C1932 10.899 20.857 -7.402 1.00 4.56 N ATOM 0 H ARG C1932 11.984 13.779 -6.807 1.00 0.54 H new ATOM 0 HA ARG C1932 9.399 14.892 -6.904 1.00 0.70 H new ATOM 0 HB2 ARG C1932 11.686 15.354 -8.828 1.00 0.83 H new ATOM 0 HB3 ARG C1932 10.360 16.442 -8.467 1.00 0.83 H new ATOM 0 HG2 ARG C1932 11.182 16.546 -6.076 1.00 1.53 H new ATOM 0 HG3 ARG C1932 12.572 15.595 -6.561 1.00 1.53 H new ATOM 0 HD2 ARG C1932 13.272 17.874 -6.625 1.00 2.00 H new ATOM 0 HD3 ARG C1932 13.088 17.373 -8.295 1.00 2.00 H new ATOM 0 HE ARG C1932 10.736 18.473 -8.104 1.00 2.79 H new ATOM 0 HH11 ARG C1932 13.649 19.515 -6.403 1.00 3.88 H new ATOM 0 HH12 ARG C1932 13.104 21.188 -6.248 1.00 3.88 H new ATOM 0 HH21 ARG C1932 10.032 20.621 -7.885 1.00 4.56 H new ATOM 0 HH22 ARG C1932 11.062 21.812 -7.085 1.00 4.56 H new ATOM 584 N ARG C1933 8.194 13.952 -8.879 1.00 0.74 N ATOM 585 CA ARG C1933 7.382 13.163 -9.813 1.00 0.76 C ATOM 586 C ARG C1933 7.303 11.716 -9.345 1.00 0.65 C ATOM 587 O ARG C1933 7.683 11.385 -8.228 1.00 0.69 O ATOM 588 CB ARG C1933 7.974 13.163 -11.226 1.00 0.95 C ATOM 589 CG ARG C1933 7.981 14.497 -11.941 1.00 1.66 C ATOM 590 CD ARG C1933 8.837 14.403 -13.197 1.00 1.80 C ATOM 591 NE ARG C1933 8.685 13.105 -13.864 1.00 2.56 N ATOM 592 CZ ARG C1933 7.746 12.817 -14.765 1.00 2.86 C ATOM 593 NH1 ARG C1933 6.873 13.742 -15.146 1.00 2.53 N ATOM 594 NH2 ARG C1933 7.679 11.594 -15.278 1.00 3.92 N ATOM 0 H ARG C1933 7.658 14.632 -8.340 1.00 0.74 H new ATOM 0 HA ARG C1933 6.394 13.622 -9.837 1.00 0.76 H new ATOM 0 HB2 ARG C1933 8.999 12.798 -11.169 1.00 0.95 H new ATOM 0 HB3 ARG C1933 7.415 12.451 -11.833 1.00 0.95 H new ATOM 0 HG2 ARG C1933 6.963 14.785 -12.204 1.00 1.66 H new ATOM 0 HG3 ARG C1933 8.371 15.272 -11.281 1.00 1.66 H new ATOM 0 HD2 ARG C1933 8.560 15.201 -13.886 1.00 1.80 H new ATOM 0 HD3 ARG C1933 9.884 14.557 -12.936 1.00 1.80 H new ATOM 0 HE ARG C1933 9.347 12.368 -13.620 1.00 2.56 H new ATOM 0 HH11 ARG C1933 6.918 14.680 -14.749 1.00 2.53 H new ATOM 0 HH12 ARG C1933 6.157 13.514 -15.836 1.00 2.53 H new ATOM 0 HH21 ARG C1933 8.344 10.880 -14.982 1.00 3.92 H new ATOM 0 HH22 ARG C1933 6.962 11.369 -15.968 1.00 3.92 H new ATOM 654 N ALA A 2 1.891 -2.196 -17.803 1.00 0.37 N ATOM 655 CA ALA A 2 2.457 -1.077 -17.068 1.00 0.33 C ATOM 656 C ALA A 2 3.508 -1.599 -16.099 1.00 0.30 C ATOM 657 O ALA A 2 3.626 -2.812 -15.920 1.00 0.39 O ATOM 658 CB ALA A 2 1.367 -0.317 -16.324 1.00 0.33 C ATOM 0 HA ALA A 2 2.925 -0.384 -17.767 1.00 0.33 H new ATOM 0 HB1 ALA A 2 1.811 0.517 -15.780 1.00 0.33 H new ATOM 0 HB2 ALA A 2 0.637 0.064 -17.038 1.00 0.33 H new ATOM 0 HB3 ALA A 2 0.872 -0.987 -15.621 1.00 0.33 H new ATOM 664 N CYS A 3 4.285 -0.703 -15.502 1.00 0.29 N ATOM 665 CA CYS A 3 5.220 -1.080 -14.461 1.00 0.27 C ATOM 666 C CYS A 3 4.430 -1.443 -13.217 1.00 0.22 C ATOM 667 O CYS A 3 3.938 -0.565 -12.512 1.00 0.21 O ATOM 668 CB CYS A 3 6.189 0.066 -14.174 1.00 0.32 C ATOM 669 SG CYS A 3 7.098 0.637 -15.627 1.00 0.43 S ATOM 0 H CYS A 3 4.282 0.292 -15.726 1.00 0.29 H new ATOM 0 HA CYS A 3 5.811 -1.937 -14.783 1.00 0.27 H new ATOM 0 HB2 CYS A 3 5.632 0.903 -13.754 1.00 0.32 H new ATOM 0 HB3 CYS A 3 6.902 -0.255 -13.415 1.00 0.32 H new ATOM 0 HG CYS A 3 7.891 1.609 -15.288 1.00 0.43 H new ATOM 675 N PRO A 4 4.292 -2.747 -12.948 1.00 0.20 N ATOM 676 CA PRO A 4 3.349 -3.264 -11.948 1.00 0.18 C ATOM 677 C PRO A 4 3.490 -2.590 -10.597 1.00 0.16 C ATOM 678 O PRO A 4 2.574 -1.910 -10.134 1.00 0.16 O ATOM 679 CB PRO A 4 3.762 -4.730 -11.832 1.00 0.21 C ATOM 680 CG PRO A 4 4.337 -5.061 -13.160 1.00 0.24 C ATOM 681 CD PRO A 4 5.074 -3.827 -13.578 1.00 0.24 C ATOM 0 HA PRO A 4 2.313 -3.096 -12.243 1.00 0.18 H new ATOM 0 HB2 PRO A 4 4.493 -4.875 -11.036 1.00 0.21 H new ATOM 0 HB3 PRO A 4 2.908 -5.366 -11.600 1.00 0.21 H new ATOM 0 HG2 PRO A 4 5.006 -5.919 -13.098 1.00 0.24 H new ATOM 0 HG3 PRO A 4 3.556 -5.317 -13.876 1.00 0.24 H new ATOM 0 HD2 PRO A 4 6.106 -3.835 -13.228 1.00 0.24 H new ATOM 0 HD3 PRO A 4 5.106 -3.723 -14.663 1.00 0.24 H new ATOM 689 N LEU A 5 4.652 -2.743 -9.995 1.00 0.16 N ATOM 690 CA LEU A 5 4.873 -2.244 -8.654 1.00 0.17 C ATOM 691 C LEU A 5 4.951 -0.723 -8.662 1.00 0.19 C ATOM 692 O LEU A 5 4.545 -0.075 -7.705 1.00 0.24 O ATOM 693 CB LEU A 5 6.148 -2.859 -8.069 1.00 0.17 C ATOM 694 CG LEU A 5 6.058 -3.302 -6.604 1.00 0.18 C ATOM 695 CD1 LEU A 5 5.852 -2.113 -5.685 1.00 0.20 C ATOM 696 CD2 LEU A 5 4.936 -4.310 -6.415 1.00 0.20 C ATOM 0 H LEU A 5 5.457 -3.209 -10.413 1.00 0.16 H new ATOM 0 HA LEU A 5 4.033 -2.534 -8.023 1.00 0.17 H new ATOM 0 HB2 LEU A 5 6.425 -3.722 -8.675 1.00 0.17 H new ATOM 0 HB3 LEU A 5 6.956 -2.133 -8.161 1.00 0.17 H new ATOM 0 HG LEU A 5 7.004 -3.777 -6.343 1.00 0.18 H new ATOM 0 HD11 LEU A 5 5.792 -2.457 -4.653 1.00 0.20 H new ATOM 0 HD12 LEU A 5 6.689 -1.423 -5.789 1.00 0.20 H new ATOM 0 HD13 LEU A 5 4.926 -1.603 -5.952 1.00 0.20 H new ATOM 0 HD21 LEU A 5 4.890 -4.611 -5.368 1.00 0.20 H new ATOM 0 HD22 LEU A 5 3.988 -3.857 -6.705 1.00 0.20 H new ATOM 0 HD23 LEU A 5 5.125 -5.185 -7.036 1.00 0.20 H new ATOM 708 N GLU A 6 5.441 -0.152 -9.758 1.00 0.19 N ATOM 709 CA GLU A 6 5.552 1.295 -9.857 1.00 0.23 C ATOM 710 C GLU A 6 4.174 1.940 -9.872 1.00 0.21 C ATOM 711 O GLU A 6 3.929 2.928 -9.174 1.00 0.25 O ATOM 712 CB GLU A 6 6.343 1.716 -11.097 1.00 0.32 C ATOM 713 CG GLU A 6 6.478 3.226 -11.240 1.00 0.47 C ATOM 714 CD GLU A 6 7.395 3.636 -12.371 1.00 0.90 C ATOM 715 OE1 GLU A 6 6.998 3.501 -13.546 1.00 1.78 O ATOM 716 OE2 GLU A 6 8.515 4.114 -12.091 1.00 1.39 O ATOM 0 H GLU A 6 5.763 -0.664 -10.579 1.00 0.19 H new ATOM 0 HA GLU A 6 6.095 1.641 -8.978 1.00 0.23 H new ATOM 0 HB2 GLU A 6 7.337 1.272 -11.054 1.00 0.32 H new ATOM 0 HB3 GLU A 6 5.854 1.316 -11.985 1.00 0.32 H new ATOM 0 HG2 GLU A 6 5.491 3.659 -11.405 1.00 0.47 H new ATOM 0 HG3 GLU A 6 6.856 3.641 -10.306 1.00 0.47 H new ATOM 723 N LYS A 7 3.270 1.368 -10.657 1.00 0.18 N ATOM 724 CA LYS A 7 1.918 1.886 -10.739 1.00 0.20 C ATOM 725 C LYS A 7 1.219 1.760 -9.397 1.00 0.17 C ATOM 726 O LYS A 7 0.423 2.610 -9.042 1.00 0.19 O ATOM 727 CB LYS A 7 1.114 1.183 -11.842 1.00 0.26 C ATOM 728 CG LYS A 7 1.634 1.463 -13.245 1.00 0.41 C ATOM 729 CD LYS A 7 1.659 2.955 -13.559 1.00 0.90 C ATOM 730 CE LYS A 7 0.259 3.544 -13.641 1.00 0.83 C ATOM 731 NZ LYS A 7 0.289 5.016 -13.846 1.00 1.16 N ATOM 0 H LYS A 7 3.450 0.551 -11.241 1.00 0.18 H new ATOM 0 HA LYS A 7 1.979 2.943 -11.000 1.00 0.20 H new ATOM 0 HB2 LYS A 7 1.132 0.108 -11.664 1.00 0.26 H new ATOM 0 HB3 LYS A 7 0.073 1.499 -11.779 1.00 0.26 H new ATOM 0 HG2 LYS A 7 2.639 1.054 -13.347 1.00 0.41 H new ATOM 0 HG3 LYS A 7 1.006 0.950 -13.973 1.00 0.41 H new ATOM 0 HD2 LYS A 7 2.228 3.478 -12.790 1.00 0.90 H new ATOM 0 HD3 LYS A 7 2.177 3.118 -14.504 1.00 0.90 H new ATOM 0 HE2 LYS A 7 -0.285 3.074 -14.460 1.00 0.83 H new ATOM 0 HE3 LYS A 7 -0.285 3.316 -12.725 1.00 0.83 H new ATOM 0 HZ1 LYS A 7 -0.680 5.368 -13.981 1.00 1.16 H new ATOM 0 HZ2 LYS A 7 0.710 5.474 -13.013 1.00 1.16 H new ATOM 0 HZ3 LYS A 7 0.858 5.238 -14.688 1.00 1.16 H new ATOM 745 N ALA A 8 1.548 0.715 -8.641 1.00 0.18 N ATOM 746 CA ALA A 8 0.968 0.508 -7.314 1.00 0.19 C ATOM 747 C ALA A 8 1.040 1.777 -6.467 1.00 0.17 C ATOM 748 O ALA A 8 0.023 2.235 -5.950 1.00 0.21 O ATOM 749 CB ALA A 8 1.660 -0.645 -6.604 1.00 0.20 C ATOM 0 H ALA A 8 2.214 -0.003 -8.924 1.00 0.18 H new ATOM 0 HA ALA A 8 -0.084 0.257 -7.448 1.00 0.19 H new ATOM 0 HB1 ALA A 8 1.216 -0.785 -5.618 1.00 0.20 H new ATOM 0 HB2 ALA A 8 1.540 -1.557 -7.189 1.00 0.20 H new ATOM 0 HB3 ALA A 8 2.721 -0.421 -6.495 1.00 0.20 H new ATOM 755 N LEU A 9 2.232 2.350 -6.333 1.00 0.14 N ATOM 756 CA LEU A 9 2.394 3.587 -5.563 1.00 0.14 C ATOM 757 C LEU A 9 1.785 4.777 -6.294 1.00 0.13 C ATOM 758 O LEU A 9 1.071 5.586 -5.696 1.00 0.16 O ATOM 759 CB LEU A 9 3.868 3.884 -5.265 1.00 0.15 C ATOM 760 CG LEU A 9 4.613 2.817 -4.461 1.00 0.16 C ATOM 761 CD1 LEU A 9 3.738 2.305 -3.339 1.00 0.19 C ATOM 762 CD2 LEU A 9 5.077 1.676 -5.346 1.00 0.15 C ATOM 0 H LEU A 9 3.093 1.986 -6.741 1.00 0.14 H new ATOM 0 HA LEU A 9 1.869 3.435 -4.620 1.00 0.14 H new ATOM 0 HB2 LEU A 9 4.389 4.028 -6.212 1.00 0.15 H new ATOM 0 HB3 LEU A 9 3.926 4.828 -4.722 1.00 0.15 H new ATOM 0 HG LEU A 9 5.503 3.278 -4.031 1.00 0.16 H new ATOM 0 HD11 LEU A 9 4.279 1.546 -2.773 1.00 0.19 H new ATOM 0 HD12 LEU A 9 3.474 3.130 -2.678 1.00 0.19 H new ATOM 0 HD13 LEU A 9 2.830 1.869 -3.756 1.00 0.19 H new ATOM 0 HD21 LEU A 9 5.602 0.937 -4.741 1.00 0.15 H new ATOM 0 HD22 LEU A 9 4.214 1.209 -5.821 1.00 0.15 H new ATOM 0 HD23 LEU A 9 5.749 2.061 -6.113 1.00 0.15 H new ATOM 774 N ASP A 10 2.074 4.874 -7.585 1.00 0.14 N ATOM 775 CA ASP A 10 1.598 5.980 -8.413 1.00 0.15 C ATOM 776 C ASP A 10 0.081 6.110 -8.362 1.00 0.15 C ATOM 777 O ASP A 10 -0.453 7.192 -8.102 1.00 0.18 O ATOM 778 CB ASP A 10 2.058 5.775 -9.864 1.00 0.19 C ATOM 779 CG ASP A 10 1.352 6.684 -10.853 1.00 0.48 C ATOM 780 OD1 ASP A 10 1.767 7.849 -11.009 1.00 1.18 O ATOM 781 OD2 ASP A 10 0.391 6.223 -11.505 1.00 1.19 O ATOM 0 H ASP A 10 2.642 4.193 -8.088 1.00 0.14 H new ATOM 0 HA ASP A 10 2.023 6.903 -8.018 1.00 0.15 H new ATOM 0 HB2 ASP A 10 3.132 5.949 -9.925 1.00 0.19 H new ATOM 0 HB3 ASP A 10 1.886 4.737 -10.149 1.00 0.19 H new ATOM 786 N VAL A 11 -0.612 5.004 -8.584 1.00 0.16 N ATOM 787 CA VAL A 11 -2.059 5.024 -8.679 1.00 0.18 C ATOM 788 C VAL A 11 -2.705 5.272 -7.326 1.00 0.18 C ATOM 789 O VAL A 11 -3.841 5.727 -7.270 1.00 0.23 O ATOM 790 CB VAL A 11 -2.628 3.724 -9.272 1.00 0.20 C ATOM 791 CG1 VAL A 11 -1.950 3.412 -10.593 1.00 0.23 C ATOM 792 CG2 VAL A 11 -2.490 2.570 -8.292 1.00 0.18 C ATOM 0 H VAL A 11 -0.193 4.081 -8.702 1.00 0.16 H new ATOM 0 HA VAL A 11 -2.299 5.846 -9.353 1.00 0.18 H new ATOM 0 HB VAL A 11 -3.693 3.864 -9.459 1.00 0.20 H new ATOM 0 HG11 VAL A 11 -2.361 2.490 -11.004 1.00 0.23 H new ATOM 0 HG12 VAL A 11 -2.123 4.230 -11.293 1.00 0.23 H new ATOM 0 HG13 VAL A 11 -0.879 3.292 -10.433 1.00 0.23 H new ATOM 0 HG21 VAL A 11 -2.900 1.664 -8.737 1.00 0.18 H new ATOM 0 HG22 VAL A 11 -1.437 2.415 -8.059 1.00 0.18 H new ATOM 0 HG23 VAL A 11 -3.034 2.803 -7.377 1.00 0.18 H new ATOM 802 N MET A 12 -1.993 4.976 -6.241 1.00 0.16 N ATOM 803 CA MET A 12 -2.532 5.222 -4.911 1.00 0.20 C ATOM 804 C MET A 12 -2.911 6.679 -4.770 1.00 0.24 C ATOM 805 O MET A 12 -4.065 6.996 -4.530 1.00 0.40 O ATOM 806 CB MET A 12 -1.546 4.852 -3.803 1.00 0.25 C ATOM 807 CG MET A 12 -1.359 3.362 -3.611 1.00 0.17 C ATOM 808 SD MET A 12 -1.208 2.908 -1.876 1.00 0.72 S ATOM 809 CE MET A 12 -0.684 1.210 -2.035 1.00 0.19 C ATOM 0 H MET A 12 -1.057 4.572 -6.257 1.00 0.16 H new ATOM 0 HA MET A 12 -3.411 4.587 -4.801 1.00 0.20 H new ATOM 0 HB2 MET A 12 -0.579 5.302 -4.027 1.00 0.25 H new ATOM 0 HB3 MET A 12 -1.891 5.287 -2.865 1.00 0.25 H new ATOM 0 HG2 MET A 12 -2.205 2.833 -4.050 1.00 0.17 H new ATOM 0 HG3 MET A 12 -0.467 3.038 -4.148 1.00 0.17 H new ATOM 0 HE1 MET A 12 -0.715 0.727 -1.059 1.00 0.19 H new ATOM 0 HE2 MET A 12 -1.350 0.686 -2.721 1.00 0.19 H new ATOM 0 HE3 MET A 12 0.334 1.178 -2.423 1.00 0.19 H new ATOM 819 N VAL A 13 -1.942 7.564 -4.969 1.00 0.17 N ATOM 820 CA VAL A 13 -2.181 8.992 -4.816 1.00 0.19 C ATOM 821 C VAL A 13 -2.912 9.578 -6.024 1.00 0.20 C ATOM 822 O VAL A 13 -3.650 10.557 -5.893 1.00 0.28 O ATOM 823 CB VAL A 13 -0.875 9.775 -4.560 1.00 0.18 C ATOM 824 CG1 VAL A 13 -0.323 9.444 -3.185 1.00 0.21 C ATOM 825 CG2 VAL A 13 0.164 9.485 -5.627 1.00 0.19 C ATOM 0 H VAL A 13 -0.988 7.319 -5.235 1.00 0.17 H new ATOM 0 HA VAL A 13 -2.820 9.101 -3.940 1.00 0.19 H new ATOM 0 HB VAL A 13 -1.110 10.838 -4.603 1.00 0.18 H new ATOM 0 HG11 VAL A 13 0.598 10.003 -3.018 1.00 0.21 H new ATOM 0 HG12 VAL A 13 -1.055 9.715 -2.424 1.00 0.21 H new ATOM 0 HG13 VAL A 13 -0.115 8.376 -3.124 1.00 0.21 H new ATOM 0 HG21 VAL A 13 1.070 10.052 -5.416 1.00 0.19 H new ATOM 0 HG22 VAL A 13 0.395 8.420 -5.630 1.00 0.19 H new ATOM 0 HG23 VAL A 13 -0.226 9.774 -6.603 1.00 0.19 H new ATOM 835 N SER A 14 -2.723 8.972 -7.192 1.00 0.19 N ATOM 836 CA SER A 14 -3.399 9.432 -8.400 1.00 0.22 C ATOM 837 C SER A 14 -4.901 9.167 -8.313 1.00 0.24 C ATOM 838 O SER A 14 -5.710 10.071 -8.527 1.00 0.28 O ATOM 839 CB SER A 14 -2.808 8.749 -9.633 1.00 0.24 C ATOM 840 OG SER A 14 -1.424 9.034 -9.747 1.00 1.12 O ATOM 0 H SER A 14 -2.112 8.167 -7.327 1.00 0.19 H new ATOM 0 HA SER A 14 -3.246 10.507 -8.490 1.00 0.22 H new ATOM 0 HB2 SER A 14 -2.958 7.672 -9.565 1.00 0.24 H new ATOM 0 HB3 SER A 14 -3.329 9.088 -10.528 1.00 0.24 H new ATOM 0 HG SER A 14 -0.913 8.398 -9.203 1.00 1.12 H new ATOM 846 N THR A 15 -5.265 7.935 -7.977 1.00 0.25 N ATOM 847 CA THR A 15 -6.664 7.554 -7.833 1.00 0.28 C ATOM 848 C THR A 15 -7.237 8.169 -6.555 1.00 0.30 C ATOM 849 O THR A 15 -8.429 8.476 -6.474 1.00 0.33 O ATOM 850 CB THR A 15 -6.809 6.022 -7.800 1.00 0.28 C ATOM 851 OG1 THR A 15 -5.981 5.444 -8.818 1.00 0.34 O ATOM 852 CG2 THR A 15 -8.249 5.592 -8.028 1.00 0.26 C ATOM 0 H THR A 15 -4.605 7.178 -7.798 1.00 0.25 H new ATOM 0 HA THR A 15 -7.220 7.930 -8.692 1.00 0.28 H new ATOM 0 HB THR A 15 -6.500 5.676 -6.814 1.00 0.28 H new ATOM 0 HG1 THR A 15 -5.058 5.386 -8.495 1.00 0.34 H new ATOM 0 HG21 THR A 15 -8.313 4.504 -7.998 1.00 0.26 H new ATOM 0 HG22 THR A 15 -8.883 6.014 -7.248 1.00 0.26 H new ATOM 0 HG23 THR A 15 -8.585 5.948 -9.002 1.00 0.26 H new ATOM 860 N PHE A 16 -6.360 8.355 -5.571 1.00 0.31 N ATOM 861 CA PHE A 16 -6.693 9.042 -4.329 1.00 0.37 C ATOM 862 C PHE A 16 -7.358 10.380 -4.615 1.00 0.42 C ATOM 863 O PHE A 16 -8.535 10.569 -4.323 1.00 0.54 O ATOM 864 CB PHE A 16 -5.413 9.253 -3.518 1.00 0.45 C ATOM 865 CG PHE A 16 -5.582 9.987 -2.226 1.00 0.36 C ATOM 866 CD1 PHE A 16 -6.251 9.406 -1.167 1.00 1.26 C ATOM 867 CD2 PHE A 16 -5.043 11.249 -2.065 1.00 1.24 C ATOM 868 CE1 PHE A 16 -6.384 10.075 0.032 1.00 1.43 C ATOM 869 CE2 PHE A 16 -5.171 11.919 -0.868 1.00 1.39 C ATOM 870 CZ PHE A 16 -5.842 11.330 0.180 1.00 0.99 C ATOM 0 H PHE A 16 -5.394 8.031 -5.615 1.00 0.31 H new ATOM 0 HA PHE A 16 -7.394 8.432 -3.760 1.00 0.37 H new ATOM 0 HB2 PHE A 16 -4.973 8.278 -3.307 1.00 0.45 H new ATOM 0 HB3 PHE A 16 -4.699 9.799 -4.135 1.00 0.45 H new ATOM 0 HD1 PHE A 16 -6.674 8.419 -1.278 1.00 1.26 H new ATOM 0 HD2 PHE A 16 -4.516 11.715 -2.885 1.00 1.24 H new ATOM 0 HE1 PHE A 16 -6.913 9.614 0.853 1.00 1.43 H new ATOM 0 HE2 PHE A 16 -4.746 12.905 -0.752 1.00 1.39 H new ATOM 0 HZ PHE A 16 -5.943 11.854 1.119 1.00 0.99 H new ATOM 880 N HIS A 17 -6.607 11.291 -5.225 1.00 0.44 N ATOM 881 CA HIS A 17 -7.111 12.630 -5.524 1.00 0.54 C ATOM 882 C HIS A 17 -8.219 12.566 -6.569 1.00 0.47 C ATOM 883 O HIS A 17 -9.068 13.453 -6.650 1.00 0.52 O ATOM 884 CB HIS A 17 -5.982 13.540 -6.022 1.00 0.72 C ATOM 885 CG HIS A 17 -4.903 13.786 -5.012 1.00 1.09 C ATOM 886 ND1 HIS A 17 -5.141 14.339 -3.775 1.00 2.16 N ATOM 887 CD2 HIS A 17 -3.570 13.549 -5.066 1.00 1.23 C ATOM 888 CE1 HIS A 17 -4.006 14.436 -3.114 1.00 2.80 C ATOM 889 NE2 HIS A 17 -3.038 13.963 -3.872 1.00 2.27 N ATOM 0 H HIS A 17 -5.645 11.128 -5.523 1.00 0.44 H new ATOM 0 HA HIS A 17 -7.516 13.047 -4.602 1.00 0.54 H new ATOM 0 HB2 HIS A 17 -5.537 13.095 -6.912 1.00 0.72 H new ATOM 0 HB3 HIS A 17 -6.408 14.497 -6.323 1.00 0.72 H new ATOM 0 HD2 HIS A 17 -3.028 13.116 -5.894 1.00 1.23 H new ATOM 0 HE1 HIS A 17 -3.889 14.836 -2.118 1.00 2.80 H new ATOM 0 HE2 HIS A 17 -2.053 13.913 -3.613 1.00 2.27 H new ATOM 898 N LYS A 18 -8.205 11.493 -7.345 1.00 0.43 N ATOM 899 CA LYS A 18 -9.155 11.285 -8.428 1.00 0.46 C ATOM 900 C LYS A 18 -10.586 11.129 -7.902 1.00 0.44 C ATOM 901 O LYS A 18 -11.525 11.671 -8.486 1.00 0.62 O ATOM 902 CB LYS A 18 -8.727 10.046 -9.223 1.00 0.55 C ATOM 903 CG LYS A 18 -9.629 9.669 -10.384 1.00 0.77 C ATOM 904 CD LYS A 18 -9.113 8.414 -11.073 1.00 0.73 C ATOM 905 CE LYS A 18 -10.075 7.906 -12.135 1.00 1.41 C ATOM 906 NZ LYS A 18 -9.615 6.626 -12.737 1.00 1.69 N ATOM 0 H LYS A 18 -7.529 10.736 -7.240 1.00 0.43 H new ATOM 0 HA LYS A 18 -9.153 12.161 -9.077 1.00 0.46 H new ATOM 0 HB2 LYS A 18 -7.721 10.212 -9.607 1.00 0.55 H new ATOM 0 HB3 LYS A 18 -8.671 9.199 -8.539 1.00 0.55 H new ATOM 0 HG2 LYS A 18 -10.644 9.502 -10.024 1.00 0.77 H new ATOM 0 HG3 LYS A 18 -9.675 10.491 -11.099 1.00 0.77 H new ATOM 0 HD2 LYS A 18 -8.147 8.624 -11.531 1.00 0.73 H new ATOM 0 HD3 LYS A 18 -8.950 7.634 -10.329 1.00 0.73 H new ATOM 0 HE2 LYS A 18 -11.061 7.765 -11.693 1.00 1.41 H new ATOM 0 HE3 LYS A 18 -10.181 8.657 -12.918 1.00 1.41 H new ATOM 0 HZ1 LYS A 18 -10.433 6.105 -13.112 1.00 1.69 H new ATOM 0 HZ2 LYS A 18 -8.948 6.826 -13.509 1.00 1.69 H new ATOM 0 HZ3 LYS A 18 -9.142 6.051 -12.011 1.00 1.69 H new ATOM 920 N TYR A 19 -10.756 10.414 -6.794 1.00 0.37 N ATOM 921 CA TYR A 19 -12.097 10.139 -6.276 1.00 0.41 C ATOM 922 C TYR A 19 -12.396 10.870 -4.973 1.00 0.48 C ATOM 923 O TYR A 19 -13.531 10.851 -4.512 1.00 0.73 O ATOM 924 CB TYR A 19 -12.309 8.635 -6.088 1.00 0.43 C ATOM 925 CG TYR A 19 -12.410 7.882 -7.392 1.00 0.38 C ATOM 926 CD1 TYR A 19 -13.629 7.734 -8.040 1.00 1.18 C ATOM 927 CD2 TYR A 19 -11.284 7.330 -7.982 1.00 1.14 C ATOM 928 CE1 TYR A 19 -13.721 7.061 -9.242 1.00 1.21 C ATOM 929 CE2 TYR A 19 -11.367 6.652 -9.179 1.00 1.14 C ATOM 930 CZ TYR A 19 -12.583 6.521 -9.806 1.00 0.48 C ATOM 931 OH TYR A 19 -12.657 5.860 -11.010 1.00 0.59 O ATOM 0 H TYR A 19 -9.995 10.018 -6.242 1.00 0.37 H new ATOM 0 HA TYR A 19 -12.794 10.517 -7.024 1.00 0.41 H new ATOM 0 HB2 TYR A 19 -11.483 8.228 -5.504 1.00 0.43 H new ATOM 0 HB3 TYR A 19 -13.219 8.472 -5.510 1.00 0.43 H new ATOM 0 HD1 TYR A 19 -14.520 8.152 -7.596 1.00 1.18 H new ATOM 0 HD2 TYR A 19 -10.325 7.433 -7.496 1.00 1.14 H new ATOM 0 HE1 TYR A 19 -14.675 6.958 -9.737 1.00 1.21 H new ATOM 0 HE2 TYR A 19 -10.480 6.225 -9.623 1.00 1.14 H new ATOM 0 HH TYR A 19 -11.882 5.269 -11.107 1.00 0.59 H new ATOM 941 N SER A 20 -11.395 11.501 -4.374 1.00 0.38 N ATOM 942 CA SER A 20 -11.627 12.280 -3.159 1.00 0.45 C ATOM 943 C SER A 20 -11.989 13.717 -3.519 1.00 0.54 C ATOM 944 O SER A 20 -12.989 14.257 -3.043 1.00 0.68 O ATOM 945 CB SER A 20 -10.398 12.241 -2.250 1.00 0.47 C ATOM 946 OG SER A 20 -9.232 12.620 -2.955 1.00 0.52 O ATOM 0 H SER A 20 -10.429 11.492 -4.700 1.00 0.38 H new ATOM 0 HA SER A 20 -12.462 11.838 -2.615 1.00 0.45 H new ATOM 0 HB2 SER A 20 -10.548 12.909 -1.402 1.00 0.47 H new ATOM 0 HB3 SER A 20 -10.272 11.237 -1.846 1.00 0.47 H new ATOM 0 HG SER A 20 -8.803 11.823 -3.330 1.00 0.52 H new ATOM 952 N GLY A 21 -11.175 14.330 -4.378 1.00 0.54 N ATOM 953 CA GLY A 21 -11.477 15.660 -4.873 1.00 0.65 C ATOM 954 C GLY A 21 -12.580 15.614 -5.905 1.00 0.68 C ATOM 955 O GLY A 21 -12.381 15.970 -7.069 1.00 0.82 O ATOM 0 H GLY A 21 -10.311 13.926 -4.739 1.00 0.54 H new ATOM 0 HA2 GLY A 21 -11.776 16.302 -4.044 1.00 0.65 H new ATOM 0 HA3 GLY A 21 -10.582 16.101 -5.311 1.00 0.65 H new ATOM 1057 N LYS A 28 -9.538 13.667 1.070 1.00 0.67 N ATOM 1058 CA LYS A 28 -10.401 12.987 2.007 1.00 0.64 C ATOM 1059 C LYS A 28 -11.523 12.271 1.279 1.00 0.48 C ATOM 1060 O LYS A 28 -12.344 12.891 0.607 1.00 0.54 O ATOM 1061 CB LYS A 28 -10.983 13.993 3.001 1.00 0.87 C ATOM 1062 CG LYS A 28 -11.627 13.354 4.215 1.00 1.00 C ATOM 1063 CD LYS A 28 -10.586 12.867 5.207 1.00 1.04 C ATOM 1064 CE LYS A 28 -9.995 14.012 6.019 1.00 1.55 C ATOM 1065 NZ LYS A 28 -8.997 14.809 5.258 1.00 2.03 N ATOM 0 HA LYS A 28 -9.812 12.246 2.547 1.00 0.64 H new ATOM 0 HB2 LYS A 28 -10.189 14.662 3.333 1.00 0.87 H new ATOM 0 HB3 LYS A 28 -11.724 14.607 2.490 1.00 0.87 H new ATOM 0 HG2 LYS A 28 -12.285 14.075 4.701 1.00 1.00 H new ATOM 0 HG3 LYS A 28 -12.250 12.517 3.899 1.00 1.00 H new ATOM 0 HD2 LYS A 28 -11.039 12.140 5.881 1.00 1.04 H new ATOM 0 HD3 LYS A 28 -9.788 12.352 4.672 1.00 1.04 H new ATOM 0 HE2 LYS A 28 -10.800 14.668 6.350 1.00 1.55 H new ATOM 0 HE3 LYS A 28 -9.523 13.609 6.915 1.00 1.55 H new ATOM 0 HZ1 LYS A 28 -8.067 14.729 5.716 1.00 2.03 H new ATOM 0 HZ2 LYS A 28 -8.935 14.449 4.284 1.00 2.03 H new ATOM 0 HZ3 LYS A 28 -9.290 15.807 5.241 1.00 2.03 H new ATOM 1079 N LEU A 29 -11.550 10.962 1.432 1.00 0.36 N ATOM 1080 CA LEU A 29 -12.606 10.149 0.849 1.00 0.32 C ATOM 1081 C LEU A 29 -13.614 9.745 1.914 1.00 0.34 C ATOM 1082 O LEU A 29 -13.257 9.120 2.915 1.00 0.40 O ATOM 1083 CB LEU A 29 -12.054 8.881 0.179 1.00 0.30 C ATOM 1084 CG LEU A 29 -11.193 9.093 -1.071 1.00 0.30 C ATOM 1085 CD1 LEU A 29 -9.727 9.252 -0.698 1.00 0.32 C ATOM 1086 CD2 LEU A 29 -11.380 7.941 -2.044 1.00 0.33 C ATOM 0 H LEU A 29 -10.852 10.435 1.956 1.00 0.36 H new ATOM 0 HA LEU A 29 -13.090 10.759 0.086 1.00 0.32 H new ATOM 0 HB2 LEU A 29 -11.462 8.336 0.914 1.00 0.30 H new ATOM 0 HB3 LEU A 29 -12.895 8.242 -0.089 1.00 0.30 H new ATOM 0 HG LEU A 29 -11.517 10.012 -1.559 1.00 0.30 H new ATOM 0 HD11 LEU A 29 -9.136 9.401 -1.602 1.00 0.32 H new ATOM 0 HD12 LEU A 29 -9.610 10.114 -0.041 1.00 0.32 H new ATOM 0 HD13 LEU A 29 -9.383 8.355 -0.183 1.00 0.32 H new ATOM 0 HD21 LEU A 29 -10.762 8.106 -2.927 1.00 0.33 H new ATOM 0 HD22 LEU A 29 -11.085 7.008 -1.564 1.00 0.33 H new ATOM 0 HD23 LEU A 29 -12.427 7.881 -2.340 1.00 0.33 H new ATOM 1098 N ASN A 30 -14.866 10.118 1.712 1.00 0.35 N ATOM 1099 CA ASN A 30 -15.934 9.652 2.580 1.00 0.35 C ATOM 1100 C ASN A 30 -16.491 8.347 2.013 1.00 0.31 C ATOM 1101 O ASN A 30 -15.945 7.814 1.044 1.00 0.29 O ATOM 1102 CB ASN A 30 -17.041 10.717 2.727 1.00 0.41 C ATOM 1103 CG ASN A 30 -18.088 10.672 1.623 1.00 0.62 C ATOM 1104 OD1 ASN A 30 -19.092 9.969 1.741 1.00 1.20 O ATOM 1105 ND2 ASN A 30 -17.881 11.429 0.556 1.00 0.63 N ATOM 0 H ASN A 30 -15.167 10.738 0.960 1.00 0.35 H new ATOM 0 HA ASN A 30 -15.537 9.473 3.579 1.00 0.35 H new ATOM 0 HB2 ASN A 30 -17.535 10.583 3.689 1.00 0.41 H new ATOM 0 HB3 ASN A 30 -16.582 11.705 2.739 1.00 0.41 H new ATOM 0 HD21 ASN A 30 -18.565 11.442 -0.201 1.00 0.63 H new ATOM 0 HD22 ASN A 30 -17.038 11.999 0.491 1.00 0.63 H new ATOM 1112 N LYS A 31 -17.558 7.836 2.621 1.00 0.32 N ATOM 1113 CA LYS A 31 -18.203 6.593 2.180 1.00 0.31 C ATOM 1114 C LYS A 31 -18.391 6.546 0.660 1.00 0.30 C ATOM 1115 O LYS A 31 -17.958 5.600 0.000 1.00 0.31 O ATOM 1116 CB LYS A 31 -19.571 6.448 2.850 1.00 0.35 C ATOM 1117 CG LYS A 31 -19.527 6.501 4.367 1.00 0.45 C ATOM 1118 CD LYS A 31 -20.927 6.425 4.953 1.00 0.56 C ATOM 1119 CE LYS A 31 -20.902 6.511 6.469 1.00 1.22 C ATOM 1120 NZ LYS A 31 -22.270 6.588 7.045 1.00 1.70 N ATOM 0 H LYS A 31 -18.002 8.267 3.432 1.00 0.32 H new ATOM 0 HA LYS A 31 -17.546 5.772 2.469 1.00 0.31 H new ATOM 0 HB2 LYS A 31 -20.227 7.240 2.488 1.00 0.35 H new ATOM 0 HB3 LYS A 31 -20.016 5.501 2.543 1.00 0.35 H new ATOM 0 HG2 LYS A 31 -18.924 5.676 4.746 1.00 0.45 H new ATOM 0 HG3 LYS A 31 -19.043 7.423 4.689 1.00 0.45 H new ATOM 0 HD2 LYS A 31 -21.535 7.236 4.552 1.00 0.56 H new ATOM 0 HD3 LYS A 31 -21.400 5.491 4.648 1.00 0.56 H new ATOM 0 HE2 LYS A 31 -20.387 5.639 6.873 1.00 1.22 H new ATOM 0 HE3 LYS A 31 -20.331 7.388 6.773 1.00 1.22 H new ATOM 0 HZ1 LYS A 31 -22.208 6.645 8.082 1.00 1.70 H new ATOM 0 HZ2 LYS A 31 -22.753 7.433 6.680 1.00 1.70 H new ATOM 0 HZ3 LYS A 31 -22.808 5.739 6.777 1.00 1.70 H new ATOM 1134 N SER A 32 -19.015 7.582 0.109 1.00 0.32 N ATOM 1135 CA SER A 32 -19.365 7.608 -1.306 1.00 0.34 C ATOM 1136 C SER A 32 -18.127 7.704 -2.198 1.00 0.31 C ATOM 1137 O SER A 32 -18.110 7.165 -3.311 1.00 0.34 O ATOM 1138 CB SER A 32 -20.307 8.780 -1.576 1.00 0.43 C ATOM 1139 OG SER A 32 -19.781 9.981 -1.037 1.00 1.29 O ATOM 0 H SER A 32 -19.290 8.418 0.624 1.00 0.32 H new ATOM 0 HA SER A 32 -19.865 6.670 -1.549 1.00 0.34 H new ATOM 0 HB2 SER A 32 -20.457 8.893 -2.650 1.00 0.43 H new ATOM 0 HB3 SER A 32 -21.284 8.576 -1.138 1.00 0.43 H new ATOM 0 HG SER A 32 -20.398 10.720 -1.221 1.00 1.29 H new ATOM 1145 N GLU A 33 -17.087 8.360 -1.698 1.00 0.30 N ATOM 1146 CA GLU A 33 -15.875 8.565 -2.473 1.00 0.31 C ATOM 1147 C GLU A 33 -15.125 7.258 -2.592 1.00 0.26 C ATOM 1148 O GLU A 33 -14.669 6.878 -3.672 1.00 0.27 O ATOM 1149 CB GLU A 33 -14.987 9.614 -1.806 1.00 0.37 C ATOM 1150 CG GLU A 33 -15.670 10.958 -1.623 1.00 0.51 C ATOM 1151 CD GLU A 33 -16.114 11.572 -2.932 1.00 0.88 C ATOM 1152 OE1 GLU A 33 -17.061 11.046 -3.557 1.00 1.46 O ATOM 1153 OE2 GLU A 33 -15.534 12.599 -3.332 1.00 1.68 O ATOM 0 H GLU A 33 -17.061 8.758 -0.759 1.00 0.30 H new ATOM 0 HA GLU A 33 -16.146 8.921 -3.467 1.00 0.31 H new ATOM 0 HB2 GLU A 33 -14.668 9.242 -0.832 1.00 0.37 H new ATOM 0 HB3 GLU A 33 -14.087 9.751 -2.406 1.00 0.37 H new ATOM 0 HG2 GLU A 33 -16.536 10.835 -0.972 1.00 0.51 H new ATOM 0 HG3 GLU A 33 -14.987 11.642 -1.119 1.00 0.51 H new ATOM 1160 N LEU A 34 -15.023 6.570 -1.468 1.00 0.23 N ATOM 1161 CA LEU A 34 -14.384 5.274 -1.432 1.00 0.20 C ATOM 1162 C LEU A 34 -15.172 4.264 -2.240 1.00 0.20 C ATOM 1163 O LEU A 34 -14.589 3.433 -2.931 1.00 0.23 O ATOM 1164 CB LEU A 34 -14.225 4.796 0.006 1.00 0.18 C ATOM 1165 CG LEU A 34 -12.933 5.231 0.681 1.00 0.18 C ATOM 1166 CD1 LEU A 34 -12.970 4.895 2.155 1.00 0.21 C ATOM 1167 CD2 LEU A 34 -11.751 4.562 0.004 1.00 0.18 C ATOM 0 H LEU A 34 -15.377 6.892 -0.567 1.00 0.23 H new ATOM 0 HA LEU A 34 -13.394 5.371 -1.877 1.00 0.20 H new ATOM 0 HB2 LEU A 34 -15.067 5.164 0.592 1.00 0.18 H new ATOM 0 HB3 LEU A 34 -14.278 3.707 0.021 1.00 0.18 H new ATOM 0 HG LEU A 34 -12.825 6.311 0.584 1.00 0.18 H new ATOM 0 HD11 LEU A 34 -12.039 5.212 2.624 1.00 0.21 H new ATOM 0 HD12 LEU A 34 -13.807 5.411 2.625 1.00 0.21 H new ATOM 0 HD13 LEU A 34 -13.091 3.819 2.280 1.00 0.21 H new ATOM 0 HD21 LEU A 34 -10.827 4.876 0.490 1.00 0.18 H new ATOM 0 HD22 LEU A 34 -11.852 3.479 0.082 1.00 0.18 H new ATOM 0 HD23 LEU A 34 -11.723 4.849 -1.047 1.00 0.18 H new ATOM 1179 N LYS A 35 -16.495 4.339 -2.176 1.00 0.23 N ATOM 1180 CA LYS A 35 -17.312 3.408 -2.929 1.00 0.29 C ATOM 1181 C LYS A 35 -17.036 3.556 -4.413 1.00 0.25 C ATOM 1182 O LYS A 35 -16.735 2.574 -5.076 1.00 0.27 O ATOM 1183 CB LYS A 35 -18.804 3.574 -2.637 1.00 0.42 C ATOM 1184 CG LYS A 35 -19.607 2.345 -3.042 1.00 0.60 C ATOM 1185 CD LYS A 35 -21.065 2.438 -2.636 1.00 0.71 C ATOM 1186 CE LYS A 35 -21.818 3.434 -3.492 1.00 0.53 C ATOM 1187 NZ LYS A 35 -23.276 3.389 -3.227 1.00 0.89 N ATOM 0 H LYS A 35 -17.013 5.021 -1.622 1.00 0.23 H new ATOM 0 HA LYS A 35 -17.039 2.402 -2.611 1.00 0.29 H new ATOM 0 HB2 LYS A 35 -18.946 3.765 -1.573 1.00 0.42 H new ATOM 0 HB3 LYS A 35 -19.183 4.446 -3.170 1.00 0.42 H new ATOM 0 HG2 LYS A 35 -19.543 2.214 -4.122 1.00 0.60 H new ATOM 0 HG3 LYS A 35 -19.163 1.460 -2.586 1.00 0.60 H new ATOM 0 HD2 LYS A 35 -21.531 1.457 -2.723 1.00 0.71 H new ATOM 0 HD3 LYS A 35 -21.134 2.732 -1.589 1.00 0.71 H new ATOM 0 HE2 LYS A 35 -21.443 4.439 -3.297 1.00 0.53 H new ATOM 0 HE3 LYS A 35 -21.632 3.223 -4.545 1.00 0.53 H new ATOM 0 HZ1 LYS A 35 -23.771 3.028 -4.068 1.00 0.89 H new ATOM 0 HZ2 LYS A 35 -23.463 2.761 -2.419 1.00 0.89 H new ATOM 0 HZ3 LYS A 35 -23.619 4.346 -3.008 1.00 0.89 H new ATOM 1201 N GLU A 36 -17.097 4.780 -4.927 1.00 0.25 N ATOM 1202 CA GLU A 36 -16.779 5.015 -6.332 1.00 0.28 C ATOM 1203 C GLU A 36 -15.376 4.520 -6.657 1.00 0.28 C ATOM 1204 O GLU A 36 -15.166 3.884 -7.687 1.00 0.34 O ATOM 1205 CB GLU A 36 -16.911 6.488 -6.700 1.00 0.32 C ATOM 1206 CG GLU A 36 -18.106 6.770 -7.592 1.00 0.66 C ATOM 1207 CD GLU A 36 -18.182 8.211 -8.043 1.00 0.77 C ATOM 1208 OE1 GLU A 36 -18.813 9.025 -7.341 1.00 1.49 O ATOM 1209 OE2 GLU A 36 -17.619 8.538 -9.108 1.00 1.28 O ATOM 0 H GLU A 36 -17.360 5.614 -4.401 1.00 0.25 H new ATOM 0 HA GLU A 36 -17.500 4.453 -6.926 1.00 0.28 H new ATOM 0 HB2 GLU A 36 -16.998 7.079 -5.788 1.00 0.32 H new ATOM 0 HB3 GLU A 36 -16.002 6.814 -7.206 1.00 0.32 H new ATOM 0 HG2 GLU A 36 -18.059 6.123 -8.468 1.00 0.66 H new ATOM 0 HG3 GLU A 36 -19.020 6.514 -7.056 1.00 0.66 H new ATOM 1216 N LEU A 37 -14.437 4.799 -5.760 1.00 0.25 N ATOM 1217 CA LEU A 37 -13.065 4.310 -5.884 1.00 0.27 C ATOM 1218 C LEU A 37 -13.055 2.811 -6.159 1.00 0.23 C ATOM 1219 O LEU A 37 -12.559 2.354 -7.192 1.00 0.24 O ATOM 1220 CB LEU A 37 -12.308 4.589 -4.585 1.00 0.32 C ATOM 1221 CG LEU A 37 -10.794 4.426 -4.657 1.00 0.40 C ATOM 1222 CD1 LEU A 37 -10.148 5.728 -5.093 1.00 0.33 C ATOM 1223 CD2 LEU A 37 -10.247 3.974 -3.315 1.00 0.74 C ATOM 0 H LEU A 37 -14.602 5.368 -4.929 1.00 0.25 H new ATOM 0 HA LEU A 37 -12.583 4.825 -6.715 1.00 0.27 H new ATOM 0 HB2 LEU A 37 -12.531 5.607 -4.267 1.00 0.32 H new ATOM 0 HB3 LEU A 37 -12.691 3.923 -3.812 1.00 0.32 H new ATOM 0 HG LEU A 37 -10.556 3.661 -5.396 1.00 0.40 H new ATOM 0 HD11 LEU A 37 -9.067 5.600 -5.141 1.00 0.33 H new ATOM 0 HD12 LEU A 37 -10.524 6.009 -6.077 1.00 0.33 H new ATOM 0 HD13 LEU A 37 -10.389 6.512 -4.375 1.00 0.33 H new ATOM 0 HD21 LEU A 37 -9.165 3.862 -3.382 1.00 0.74 H new ATOM 0 HD22 LEU A 37 -10.488 4.717 -2.555 1.00 0.74 H new ATOM 0 HD23 LEU A 37 -10.694 3.018 -3.043 1.00 0.74 H new ATOM 1235 N LEU A 38 -13.637 2.058 -5.237 1.00 0.20 N ATOM 1236 CA LEU A 38 -13.651 0.609 -5.328 1.00 0.20 C ATOM 1237 C LEU A 38 -14.540 0.118 -6.470 1.00 0.22 C ATOM 1238 O LEU A 38 -14.192 -0.825 -7.158 1.00 0.24 O ATOM 1239 CB LEU A 38 -14.087 -0.007 -3.997 1.00 0.19 C ATOM 1240 CG LEU A 38 -13.018 -0.002 -2.898 1.00 0.18 C ATOM 1241 CD1 LEU A 38 -13.375 0.974 -1.792 1.00 0.19 C ATOM 1242 CD2 LEU A 38 -12.828 -1.399 -2.329 1.00 0.21 C ATOM 0 H LEU A 38 -14.108 2.432 -4.413 1.00 0.20 H new ATOM 0 HA LEU A 38 -12.634 0.284 -5.548 1.00 0.20 H new ATOM 0 HB2 LEU A 38 -14.962 0.532 -3.634 1.00 0.19 H new ATOM 0 HB3 LEU A 38 -14.398 -1.036 -4.175 1.00 0.19 H new ATOM 0 HG LEU A 38 -12.079 0.322 -3.347 1.00 0.18 H new ATOM 0 HD11 LEU A 38 -12.599 0.956 -1.027 1.00 0.19 H new ATOM 0 HD12 LEU A 38 -13.454 1.979 -2.205 1.00 0.19 H new ATOM 0 HD13 LEU A 38 -14.329 0.688 -1.348 1.00 0.19 H new ATOM 0 HD21 LEU A 38 -12.065 -1.374 -1.551 1.00 0.21 H new ATOM 0 HD22 LEU A 38 -13.769 -1.750 -1.904 1.00 0.21 H new ATOM 0 HD23 LEU A 38 -12.514 -2.076 -3.123 1.00 0.21 H new ATOM 1254 N THR A 39 -15.669 0.765 -6.692 1.00 0.23 N ATOM 1255 CA THR A 39 -16.599 0.329 -7.745 1.00 0.26 C ATOM 1256 C THR A 39 -15.953 0.425 -9.121 1.00 0.27 C ATOM 1257 O THR A 39 -16.280 -0.336 -10.032 1.00 0.30 O ATOM 1258 CB THR A 39 -17.908 1.149 -7.764 1.00 0.29 C ATOM 1259 OG1 THR A 39 -17.620 2.546 -7.906 1.00 0.33 O ATOM 1260 CG2 THR A 39 -18.725 0.918 -6.503 1.00 0.30 C ATOM 0 H THR A 39 -15.972 1.587 -6.169 1.00 0.23 H new ATOM 0 HA THR A 39 -16.842 -0.708 -7.512 1.00 0.26 H new ATOM 0 HB THR A 39 -18.496 0.813 -8.618 1.00 0.29 H new ATOM 0 HG1 THR A 39 -16.650 2.683 -7.896 1.00 0.33 H new ATOM 0 HG21 THR A 39 -19.639 1.510 -6.548 1.00 0.30 H new ATOM 0 HG22 THR A 39 -18.980 -0.139 -6.423 1.00 0.30 H new ATOM 0 HG23 THR A 39 -18.142 1.217 -5.632 1.00 0.30 H new ATOM 1268 N ARG A 40 -15.029 1.361 -9.258 1.00 0.27 N ATOM 1269 CA ARG A 40 -14.412 1.640 -10.538 1.00 0.30 C ATOM 1270 C ARG A 40 -13.162 0.799 -10.760 1.00 0.29 C ATOM 1271 O ARG A 40 -13.125 -0.038 -11.662 1.00 0.33 O ATOM 1272 CB ARG A 40 -14.074 3.124 -10.630 1.00 0.34 C ATOM 1273 CG ARG A 40 -15.293 4.019 -10.788 1.00 0.36 C ATOM 1274 CD ARG A 40 -16.040 3.706 -12.071 1.00 0.47 C ATOM 1275 NE ARG A 40 -15.156 3.766 -13.230 1.00 0.67 N ATOM 1276 CZ ARG A 40 -15.534 3.498 -14.476 1.00 0.90 C ATOM 1277 NH1 ARG A 40 -16.796 3.194 -14.744 1.00 1.24 N ATOM 1278 NH2 ARG A 40 -14.639 3.540 -15.453 1.00 1.09 N ATOM 0 H ARG A 40 -14.690 1.942 -8.492 1.00 0.27 H new ATOM 0 HA ARG A 40 -15.124 1.376 -11.320 1.00 0.30 H new ATOM 0 HB2 ARG A 40 -13.530 3.420 -9.733 1.00 0.34 H new ATOM 0 HB3 ARG A 40 -13.405 3.284 -11.475 1.00 0.34 H new ATOM 0 HG2 ARG A 40 -15.958 3.886 -9.935 1.00 0.36 H new ATOM 0 HG3 ARG A 40 -14.983 5.064 -10.790 1.00 0.36 H new ATOM 0 HD2 ARG A 40 -16.485 2.713 -12.002 1.00 0.47 H new ATOM 0 HD3 ARG A 40 -16.859 4.414 -12.199 1.00 0.47 H new ATOM 0 HE ARG A 40 -14.184 4.031 -13.074 1.00 0.67 H new ATOM 0 HH11 ARG A 40 -17.484 3.165 -13.992 1.00 1.24 H new ATOM 0 HH12 ARG A 40 -17.079 2.990 -15.702 1.00 1.24 H new ATOM 0 HH21 ARG A 40 -13.669 3.777 -15.246 1.00 1.09 H new ATOM 0 HH22 ARG A 40 -14.921 3.336 -16.412 1.00 1.09 H new ATOM 1292 N GLU A 41 -12.142 1.022 -9.946 1.00 0.29 N ATOM 1293 CA GLU A 41 -10.862 0.354 -10.146 1.00 0.32 C ATOM 1294 C GLU A 41 -10.646 -0.837 -9.211 1.00 0.35 C ATOM 1295 O GLU A 41 -9.676 -1.566 -9.368 1.00 0.46 O ATOM 1296 CB GLU A 41 -9.701 1.341 -10.027 1.00 0.38 C ATOM 1297 CG GLU A 41 -9.407 2.091 -11.317 1.00 0.47 C ATOM 1298 CD GLU A 41 -9.855 3.541 -11.291 1.00 0.83 C ATOM 1299 OE1 GLU A 41 -11.073 3.792 -11.263 1.00 1.54 O ATOM 1300 OE2 GLU A 41 -8.986 4.437 -11.332 1.00 1.60 O ATOM 0 H GLU A 41 -12.173 1.655 -9.146 1.00 0.29 H new ATOM 0 HA GLU A 41 -10.890 -0.045 -11.160 1.00 0.32 H new ATOM 0 HB2 GLU A 41 -9.926 2.061 -9.241 1.00 0.38 H new ATOM 0 HB3 GLU A 41 -8.806 0.801 -9.718 1.00 0.38 H new ATOM 0 HG2 GLU A 41 -8.335 2.054 -11.513 1.00 0.47 H new ATOM 0 HG3 GLU A 41 -9.901 1.581 -12.145 1.00 0.47 H new ATOM 1307 N LEU A 42 -11.529 -1.042 -8.239 1.00 0.28 N ATOM 1308 CA LEU A 42 -11.394 -2.200 -7.343 1.00 0.29 C ATOM 1309 C LEU A 42 -12.638 -3.109 -7.361 1.00 0.28 C ATOM 1310 O LEU A 42 -13.034 -3.611 -6.306 1.00 0.26 O ATOM 1311 CB LEU A 42 -11.160 -1.750 -5.890 1.00 0.27 C ATOM 1312 CG LEU A 42 -9.914 -0.905 -5.620 1.00 0.27 C ATOM 1313 CD1 LEU A 42 -10.181 0.573 -5.888 1.00 0.27 C ATOM 1314 CD2 LEU A 42 -9.442 -1.115 -4.190 1.00 0.31 C ATOM 0 H LEU A 42 -12.330 -0.441 -8.048 1.00 0.28 H new ATOM 0 HA LEU A 42 -10.537 -2.762 -7.714 1.00 0.29 H new ATOM 0 HB2 LEU A 42 -12.032 -1.182 -5.566 1.00 0.27 H new ATOM 0 HB3 LEU A 42 -11.109 -2.640 -5.263 1.00 0.27 H new ATOM 0 HG LEU A 42 -9.127 -1.227 -6.302 1.00 0.27 H new ATOM 0 HD11 LEU A 42 -9.277 1.148 -5.687 1.00 0.27 H new ATOM 0 HD12 LEU A 42 -10.473 0.707 -6.930 1.00 0.27 H new ATOM 0 HD13 LEU A 42 -10.984 0.921 -5.239 1.00 0.27 H new ATOM 0 HD21 LEU A 42 -8.554 -0.509 -4.007 1.00 0.31 H new ATOM 0 HD22 LEU A 42 -10.232 -0.820 -3.499 1.00 0.31 H new ATOM 0 HD23 LEU A 42 -9.201 -2.167 -4.037 1.00 0.31 H new ATOM 1326 N PRO A 43 -13.263 -3.386 -8.531 1.00 0.32 N ATOM 1327 CA PRO A 43 -14.535 -4.116 -8.572 1.00 0.34 C ATOM 1328 C PRO A 43 -14.356 -5.565 -8.151 1.00 0.35 C ATOM 1329 O PRO A 43 -15.285 -6.208 -7.652 1.00 0.38 O ATOM 1330 CB PRO A 43 -14.972 -4.037 -10.041 1.00 0.43 C ATOM 1331 CG PRO A 43 -14.061 -3.044 -10.680 1.00 0.52 C ATOM 1332 CD PRO A 43 -12.789 -3.076 -9.886 1.00 0.36 C ATOM 0 HA PRO A 43 -15.270 -3.691 -7.888 1.00 0.34 H new ATOM 0 HB2 PRO A 43 -14.893 -5.010 -10.526 1.00 0.43 H new ATOM 0 HB3 PRO A 43 -16.013 -3.724 -10.124 1.00 0.43 H new ATOM 0 HG2 PRO A 43 -13.876 -3.300 -11.723 1.00 0.52 H new ATOM 0 HG3 PRO A 43 -14.502 -2.047 -10.670 1.00 0.52 H new ATOM 0 HD2 PRO A 43 -12.099 -3.834 -10.257 1.00 0.36 H new ATOM 0 HD3 PRO A 43 -12.264 -2.121 -9.923 1.00 0.36 H new ATOM 1340 N SER A 44 -13.144 -6.058 -8.336 1.00 0.37 N ATOM 1341 CA SER A 44 -12.800 -7.416 -7.979 1.00 0.41 C ATOM 1342 C SER A 44 -12.809 -7.594 -6.462 1.00 0.37 C ATOM 1343 O SER A 44 -13.130 -8.665 -5.953 1.00 0.42 O ATOM 1344 CB SER A 44 -11.433 -7.752 -8.579 1.00 0.48 C ATOM 1345 OG SER A 44 -10.578 -6.617 -8.544 1.00 1.09 O ATOM 0 H SER A 44 -12.373 -5.525 -8.738 1.00 0.37 H new ATOM 0 HA SER A 44 -13.542 -8.105 -8.383 1.00 0.41 H new ATOM 0 HB2 SER A 44 -10.979 -8.573 -8.025 1.00 0.48 H new ATOM 0 HB3 SER A 44 -11.555 -8.091 -9.608 1.00 0.48 H new ATOM 0 HG SER A 44 -10.337 -6.361 -9.459 1.00 1.09 H new ATOM 1351 N PHE A 45 -12.530 -6.518 -5.741 1.00 0.33 N ATOM 1352 CA PHE A 45 -12.458 -6.575 -4.287 1.00 0.34 C ATOM 1353 C PHE A 45 -13.804 -6.219 -3.660 1.00 0.36 C ATOM 1354 O PHE A 45 -13.915 -6.048 -2.448 1.00 0.40 O ATOM 1355 CB PHE A 45 -11.373 -5.625 -3.784 1.00 0.33 C ATOM 1356 CG PHE A 45 -10.052 -5.842 -4.466 1.00 0.35 C ATOM 1357 CD1 PHE A 45 -9.189 -6.826 -4.024 1.00 1.17 C ATOM 1358 CD2 PHE A 45 -9.688 -5.075 -5.559 1.00 1.31 C ATOM 1359 CE1 PHE A 45 -7.981 -7.043 -4.658 1.00 1.15 C ATOM 1360 CE2 PHE A 45 -8.484 -5.288 -6.201 1.00 1.36 C ATOM 1361 CZ PHE A 45 -7.629 -6.274 -5.749 1.00 0.46 C ATOM 0 H PHE A 45 -12.350 -5.596 -6.138 1.00 0.33 H new ATOM 0 HA PHE A 45 -12.207 -7.594 -3.993 1.00 0.34 H new ATOM 0 HB2 PHE A 45 -11.695 -4.596 -3.943 1.00 0.33 H new ATOM 0 HB3 PHE A 45 -11.249 -5.758 -2.709 1.00 0.33 H new ATOM 0 HD1 PHE A 45 -9.462 -7.433 -3.173 1.00 1.17 H new ATOM 0 HD2 PHE A 45 -10.353 -4.301 -5.914 1.00 1.31 H new ATOM 0 HE1 PHE A 45 -7.313 -7.813 -4.301 1.00 1.15 H new ATOM 0 HE2 PHE A 45 -8.212 -4.685 -7.055 1.00 1.36 H new ATOM 0 HZ PHE A 45 -6.686 -6.443 -6.248 1.00 0.46 H new ATOM 1371 N LEU A 46 -14.829 -6.110 -4.493 1.00 0.36 N ATOM 1372 CA LEU A 46 -16.154 -5.764 -4.006 1.00 0.40 C ATOM 1373 C LEU A 46 -17.118 -6.933 -4.114 1.00 0.55 C ATOM 1374 O LEU A 46 -18.076 -7.025 -3.350 1.00 0.70 O ATOM 1375 CB LEU A 46 -16.712 -4.568 -4.765 1.00 0.35 C ATOM 1376 CG LEU A 46 -15.947 -3.264 -4.570 1.00 0.32 C ATOM 1377 CD1 LEU A 46 -16.713 -2.117 -5.204 1.00 0.34 C ATOM 1378 CD2 LEU A 46 -15.712 -3.001 -3.089 1.00 0.30 C ATOM 0 H LEU A 46 -14.769 -6.255 -5.501 1.00 0.36 H new ATOM 0 HA LEU A 46 -16.050 -5.505 -2.952 1.00 0.40 H new ATOM 0 HB2 LEU A 46 -16.727 -4.807 -5.828 1.00 0.35 H new ATOM 0 HB3 LEU A 46 -17.747 -4.413 -4.459 1.00 0.35 H new ATOM 0 HG LEU A 46 -14.975 -3.347 -5.057 1.00 0.32 H new ATOM 0 HD11 LEU A 46 -16.161 -1.188 -5.061 1.00 0.34 H new ATOM 0 HD12 LEU A 46 -16.835 -2.306 -6.270 1.00 0.34 H new ATOM 0 HD13 LEU A 46 -17.694 -2.032 -4.736 1.00 0.34 H new ATOM 0 HD21 LEU A 46 -15.165 -2.066 -2.968 1.00 0.30 H new ATOM 0 HD22 LEU A 46 -16.671 -2.929 -2.576 1.00 0.30 H new ATOM 0 HD23 LEU A 46 -15.132 -3.819 -2.662 1.00 0.30 H new ATOM 1390 N GLY A 47 -16.871 -7.817 -5.066 1.00 0.64 N ATOM 1391 CA GLY A 47 -17.724 -8.977 -5.227 1.00 0.82 C ATOM 1392 C GLY A 47 -19.101 -8.623 -5.759 1.00 0.87 C ATOM 1393 O GLY A 47 -20.068 -9.334 -5.495 1.00 1.23 O ATOM 0 H GLY A 47 -16.098 -7.754 -5.729 1.00 0.64 H new ATOM 0 HA2 GLY A 47 -17.247 -9.682 -5.907 1.00 0.82 H new ATOM 0 HA3 GLY A 47 -17.829 -9.482 -4.267 1.00 0.82 H new ATOM 1397 N LYS A 48 -19.181 -7.498 -6.475 1.00 0.79 N ATOM 1398 CA LYS A 48 -20.399 -7.072 -7.179 1.00 0.95 C ATOM 1399 C LYS A 48 -21.492 -6.543 -6.237 1.00 0.73 C ATOM 1400 O LYS A 48 -22.055 -5.475 -6.481 1.00 0.97 O ATOM 1401 CB LYS A 48 -20.949 -8.211 -8.050 1.00 1.43 C ATOM 1402 CG LYS A 48 -22.202 -7.845 -8.837 1.00 2.17 C ATOM 1403 CD LYS A 48 -21.953 -6.689 -9.797 1.00 2.32 C ATOM 1404 CE LYS A 48 -20.953 -7.057 -10.881 1.00 2.88 C ATOM 1405 NZ LYS A 48 -20.680 -5.912 -11.786 1.00 3.51 N ATOM 0 H LYS A 48 -18.399 -6.852 -6.585 1.00 0.79 H new ATOM 0 HA LYS A 48 -20.107 -6.237 -7.816 1.00 0.95 H new ATOM 0 HB2 LYS A 48 -20.174 -8.526 -8.748 1.00 1.43 H new ATOM 0 HB3 LYS A 48 -21.171 -9.067 -7.412 1.00 1.43 H new ATOM 0 HG2 LYS A 48 -22.545 -8.715 -9.397 1.00 2.17 H new ATOM 0 HG3 LYS A 48 -23.000 -7.576 -8.145 1.00 2.17 H new ATOM 0 HD2 LYS A 48 -22.895 -6.391 -10.258 1.00 2.32 H new ATOM 0 HD3 LYS A 48 -21.584 -5.828 -9.240 1.00 2.32 H new ATOM 0 HE2 LYS A 48 -20.022 -7.387 -10.421 1.00 2.88 H new ATOM 0 HE3 LYS A 48 -21.337 -7.896 -11.461 1.00 2.88 H new ATOM 0 HZ1 LYS A 48 -19.994 -6.200 -12.513 1.00 3.51 H new ATOM 0 HZ2 LYS A 48 -21.565 -5.613 -12.244 1.00 3.51 H new ATOM 0 HZ3 LYS A 48 -20.290 -5.120 -11.236 1.00 3.51 H new ATOM 1419 N ARG A 49 -21.783 -7.270 -5.165 1.00 0.73 N ATOM 1420 CA ARG A 49 -22.912 -6.934 -4.293 1.00 0.70 C ATOM 1421 C ARG A 49 -22.550 -5.860 -3.275 1.00 0.61 C ATOM 1422 O ARG A 49 -23.124 -5.800 -2.187 1.00 0.75 O ATOM 1423 CB ARG A 49 -23.426 -8.186 -3.573 1.00 0.97 C ATOM 1424 CG ARG A 49 -22.462 -8.745 -2.539 1.00 1.10 C ATOM 1425 CD ARG A 49 -23.069 -9.921 -1.792 1.00 1.54 C ATOM 1426 NE ARG A 49 -23.282 -11.072 -2.662 1.00 2.02 N ATOM 1427 CZ ARG A 49 -23.204 -12.338 -2.258 1.00 2.68 C ATOM 1428 NH1 ARG A 49 -22.950 -12.622 -0.987 1.00 3.06 N ATOM 1429 NH2 ARG A 49 -23.394 -13.318 -3.130 1.00 3.24 N ATOM 0 H ARG A 49 -21.257 -8.095 -4.876 1.00 0.73 H new ATOM 0 HA ARG A 49 -23.701 -6.534 -4.930 1.00 0.70 H new ATOM 0 HB2 ARG A 49 -24.370 -7.949 -3.083 1.00 0.97 H new ATOM 0 HB3 ARG A 49 -23.636 -8.958 -4.313 1.00 0.97 H new ATOM 0 HG2 ARG A 49 -21.542 -9.060 -3.031 1.00 1.10 H new ATOM 0 HG3 ARG A 49 -22.192 -7.962 -1.830 1.00 1.10 H new ATOM 0 HD2 ARG A 49 -22.413 -10.205 -0.969 1.00 1.54 H new ATOM 0 HD3 ARG A 49 -24.019 -9.619 -1.352 1.00 1.54 H new ATOM 0 HE ARG A 49 -23.505 -10.896 -3.642 1.00 2.02 H new ATOM 0 HH11 ARG A 49 -22.813 -11.868 -0.313 1.00 3.06 H new ATOM 0 HH12 ARG A 49 -22.891 -13.594 -0.683 1.00 3.06 H new ATOM 0 HH21 ARG A 49 -23.599 -13.100 -4.105 1.00 3.24 H new ATOM 0 HH22 ARG A 49 -23.335 -14.290 -2.826 1.00 3.24 H new ATOM 1443 N THR A 50 -21.650 -4.984 -3.654 1.00 0.55 N ATOM 1444 CA THR A 50 -21.166 -3.961 -2.755 1.00 0.50 C ATOM 1445 C THR A 50 -22.081 -2.760 -2.677 1.00 0.50 C ATOM 1446 O THR A 50 -22.176 -1.955 -3.606 1.00 0.56 O ATOM 1447 CB THR A 50 -19.779 -3.497 -3.156 1.00 0.54 C ATOM 1448 OG1 THR A 50 -19.521 -3.896 -4.511 1.00 0.91 O ATOM 1449 CG2 THR A 50 -18.749 -4.083 -2.209 1.00 0.51 C ATOM 0 H THR A 50 -21.235 -4.959 -4.585 1.00 0.55 H new ATOM 0 HA THR A 50 -21.136 -4.425 -1.769 1.00 0.50 H new ATOM 0 HB THR A 50 -19.716 -2.411 -3.094 1.00 0.54 H new ATOM 0 HG1 THR A 50 -19.667 -3.134 -5.110 1.00 0.91 H new ATOM 0 HG21 THR A 50 -17.754 -3.747 -2.501 1.00 0.51 H new ATOM 0 HG22 THR A 50 -18.960 -3.752 -1.192 1.00 0.51 H new ATOM 0 HG23 THR A 50 -18.792 -5.171 -2.253 1.00 0.51 H new ATOM 1457 N ASP A 51 -22.770 -2.682 -1.567 1.00 0.49 N ATOM 1458 CA ASP A 51 -23.485 -1.483 -1.177 1.00 0.51 C ATOM 1459 C ASP A 51 -22.800 -0.899 0.044 1.00 0.44 C ATOM 1460 O ASP A 51 -21.634 -1.203 0.304 1.00 0.43 O ATOM 1461 CB ASP A 51 -24.958 -1.782 -0.889 1.00 0.60 C ATOM 1462 CG ASP A 51 -25.799 -1.789 -2.149 1.00 1.15 C ATOM 1463 OD1 ASP A 51 -25.983 -0.705 -2.746 1.00 1.72 O ATOM 1464 OD2 ASP A 51 -26.286 -2.873 -2.541 1.00 1.94 O ATOM 0 H ASP A 51 -22.854 -3.450 -0.901 1.00 0.49 H new ATOM 0 HA ASP A 51 -23.465 -0.763 -1.995 1.00 0.51 H new ATOM 0 HB2 ASP A 51 -25.040 -2.750 -0.394 1.00 0.60 H new ATOM 0 HB3 ASP A 51 -25.350 -1.036 -0.197 1.00 0.60 H new ATOM 1469 N GLU A 52 -23.509 -0.095 0.814 1.00 0.47 N ATOM 1470 CA GLU A 52 -22.928 0.515 2.001 1.00 0.46 C ATOM 1471 C GLU A 52 -22.737 -0.540 3.098 1.00 0.46 C ATOM 1472 O GLU A 52 -22.195 -0.254 4.165 1.00 0.46 O ATOM 1473 CB GLU A 52 -23.816 1.655 2.517 1.00 0.49 C ATOM 1474 CG GLU A 52 -24.524 2.448 1.422 1.00 0.52 C ATOM 1475 CD GLU A 52 -23.598 2.981 0.348 1.00 0.71 C ATOM 1476 OE1 GLU A 52 -22.819 3.911 0.630 1.00 1.27 O ATOM 1477 OE2 GLU A 52 -23.675 2.481 -0.795 1.00 1.44 O ATOM 0 H GLU A 52 -24.484 0.152 0.642 1.00 0.47 H new ATOM 0 HA GLU A 52 -21.956 0.929 1.732 1.00 0.46 H new ATOM 0 HB2 GLU A 52 -24.566 1.239 3.190 1.00 0.49 H new ATOM 0 HB3 GLU A 52 -23.204 2.338 3.105 1.00 0.49 H new ATOM 0 HG2 GLU A 52 -25.276 1.811 0.955 1.00 0.52 H new ATOM 0 HG3 GLU A 52 -25.053 3.284 1.878 1.00 0.52 H new ATOM 1484 N ALA A 53 -23.189 -1.763 2.819 1.00 0.52 N ATOM 1485 CA ALA A 53 -23.067 -2.870 3.760 1.00 0.58 C ATOM 1486 C ALA A 53 -21.628 -3.376 3.839 1.00 0.57 C ATOM 1487 O ALA A 53 -21.009 -3.325 4.902 1.00 0.68 O ATOM 1488 CB ALA A 53 -24.013 -3.997 3.377 1.00 0.65 C ATOM 0 H ALA A 53 -23.646 -2.010 1.941 1.00 0.52 H new ATOM 0 HA ALA A 53 -23.343 -2.504 4.749 1.00 0.58 H new ATOM 0 HB1 ALA A 53 -23.910 -4.816 4.089 1.00 0.65 H new ATOM 0 HB2 ALA A 53 -25.040 -3.631 3.391 1.00 0.65 H new ATOM 0 HB3 ALA A 53 -23.768 -4.353 2.376 1.00 0.65 H new ATOM 1494 N ALA A 54 -21.085 -3.855 2.717 1.00 0.49 N ATOM 1495 CA ALA A 54 -19.695 -4.322 2.689 1.00 0.50 C ATOM 1496 C ALA A 54 -18.757 -3.170 3.031 1.00 0.45 C ATOM 1497 O ALA A 54 -17.679 -3.367 3.594 1.00 0.52 O ATOM 1498 CB ALA A 54 -19.330 -4.919 1.331 1.00 0.49 C ATOM 0 H ALA A 54 -21.578 -3.930 1.827 1.00 0.49 H new ATOM 0 HA ALA A 54 -19.587 -5.110 3.434 1.00 0.50 H new ATOM 0 HB1 ALA A 54 -18.293 -5.254 1.348 1.00 0.49 H new ATOM 0 HB2 ALA A 54 -19.982 -5.766 1.119 1.00 0.49 H new ATOM 0 HB3 ALA A 54 -19.454 -4.163 0.556 1.00 0.49 H new ATOM 1504 N PHE A 55 -19.203 -1.964 2.710 1.00 0.36 N ATOM 1505 CA PHE A 55 -18.427 -0.760 2.951 1.00 0.32 C ATOM 1506 C PHE A 55 -18.488 -0.315 4.406 1.00 0.34 C ATOM 1507 O PHE A 55 -17.645 0.457 4.848 1.00 0.34 O ATOM 1508 CB PHE A 55 -18.904 0.367 2.038 1.00 0.31 C ATOM 1509 CG PHE A 55 -18.280 0.314 0.680 1.00 0.28 C ATOM 1510 CD1 PHE A 55 -18.737 -0.576 -0.277 1.00 1.20 C ATOM 1511 CD2 PHE A 55 -17.218 1.140 0.370 1.00 1.20 C ATOM 1512 CE1 PHE A 55 -18.148 -0.635 -1.521 1.00 1.21 C ATOM 1513 CE2 PHE A 55 -16.621 1.082 -0.871 1.00 1.20 C ATOM 1514 CZ PHE A 55 -17.086 0.194 -1.820 1.00 0.31 C ATOM 0 H PHE A 55 -20.111 -1.795 2.276 1.00 0.36 H new ATOM 0 HA PHE A 55 -17.387 -0.996 2.726 1.00 0.32 H new ATOM 0 HB2 PHE A 55 -19.988 0.313 1.937 1.00 0.31 H new ATOM 0 HB3 PHE A 55 -18.674 1.326 2.502 1.00 0.31 H new ATOM 0 HD1 PHE A 55 -19.564 -1.231 -0.046 1.00 1.20 H new ATOM 0 HD2 PHE A 55 -16.851 1.839 1.107 1.00 1.20 H new ATOM 0 HE1 PHE A 55 -18.517 -1.329 -2.261 1.00 1.21 H new ATOM 0 HE2 PHE A 55 -15.789 1.731 -1.101 1.00 1.20 H new ATOM 0 HZ PHE A 55 -16.620 0.148 -2.793 1.00 0.31 H new ATOM 1524 N GLN A 56 -19.470 -0.805 5.152 1.00 0.37 N ATOM 1525 CA GLN A 56 -19.619 -0.419 6.549 1.00 0.40 C ATOM 1526 C GLN A 56 -18.402 -0.854 7.362 1.00 0.37 C ATOM 1527 O GLN A 56 -17.871 -0.079 8.160 1.00 0.42 O ATOM 1528 CB GLN A 56 -20.901 -1.009 7.143 1.00 0.46 C ATOM 1529 CG GLN A 56 -21.115 -0.646 8.603 1.00 0.58 C ATOM 1530 CD GLN A 56 -22.482 -1.048 9.111 1.00 0.68 C ATOM 1531 OE1 GLN A 56 -23.432 -0.268 9.054 1.00 1.42 O ATOM 1532 NE2 GLN A 56 -22.593 -2.266 9.610 1.00 1.00 N ATOM 0 H GLN A 56 -20.171 -1.466 4.816 1.00 0.37 H new ATOM 0 HA GLN A 56 -19.691 0.668 6.594 1.00 0.40 H new ATOM 0 HB2 GLN A 56 -21.755 -0.662 6.561 1.00 0.46 H new ATOM 0 HB3 GLN A 56 -20.870 -2.094 7.047 1.00 0.46 H new ATOM 0 HG2 GLN A 56 -20.350 -1.131 9.209 1.00 0.58 H new ATOM 0 HG3 GLN A 56 -20.987 0.429 8.728 1.00 0.58 H new ATOM 0 HE21 GLN A 56 -21.780 -2.881 9.639 1.00 1.00 H new ATOM 0 HE22 GLN A 56 -23.492 -2.591 9.967 1.00 1.00 H new ATOM 1541 N LYS A 57 -17.938 -2.077 7.130 1.00 0.34 N ATOM 1542 CA LYS A 57 -16.774 -2.588 7.839 1.00 0.35 C ATOM 1543 C LYS A 57 -15.506 -2.021 7.228 1.00 0.29 C ATOM 1544 O LYS A 57 -14.544 -1.731 7.937 1.00 0.34 O ATOM 1545 CB LYS A 57 -16.735 -4.115 7.807 1.00 0.47 C ATOM 1546 CG LYS A 57 -16.939 -4.782 9.165 1.00 0.85 C ATOM 1547 CD LYS A 57 -15.712 -4.666 10.072 1.00 0.57 C ATOM 1548 CE LYS A 57 -15.730 -3.403 10.921 1.00 0.63 C ATOM 1549 NZ LYS A 57 -14.625 -3.386 11.919 1.00 0.92 N ATOM 0 H LYS A 57 -18.348 -2.728 6.461 1.00 0.34 H new ATOM 0 HA LYS A 57 -16.844 -2.274 8.880 1.00 0.35 H new ATOM 0 HB2 LYS A 57 -17.505 -4.471 7.122 1.00 0.47 H new ATOM 0 HB3 LYS A 57 -15.775 -4.433 7.401 1.00 0.47 H new ATOM 0 HG2 LYS A 57 -17.797 -4.329 9.662 1.00 0.85 H new ATOM 0 HG3 LYS A 57 -17.177 -5.835 9.016 1.00 0.85 H new ATOM 0 HD2 LYS A 57 -15.663 -5.538 10.725 1.00 0.57 H new ATOM 0 HD3 LYS A 57 -14.810 -4.675 9.460 1.00 0.57 H new ATOM 0 HE2 LYS A 57 -15.647 -2.530 10.274 1.00 0.63 H new ATOM 0 HE3 LYS A 57 -16.687 -3.327 11.438 1.00 0.63 H new ATOM 0 HZ1 LYS A 57 -14.917 -2.835 12.751 1.00 0.92 H new ATOM 0 HZ2 LYS A 57 -14.404 -4.360 12.209 1.00 0.92 H new ATOM 0 HZ3 LYS A 57 -13.781 -2.951 11.495 1.00 0.92 H new ATOM 1563 N LEU A 58 -15.517 -1.861 5.907 1.00 0.24 N ATOM 1564 CA LEU A 58 -14.408 -1.235 5.197 1.00 0.20 C ATOM 1565 C LEU A 58 -14.125 0.147 5.766 1.00 0.20 C ATOM 1566 O LEU A 58 -13.068 0.376 6.350 1.00 0.22 O ATOM 1567 CB LEU A 58 -14.717 -1.124 3.702 1.00 0.20 C ATOM 1568 CG LEU A 58 -13.720 -0.284 2.908 1.00 0.19 C ATOM 1569 CD1 LEU A 58 -12.309 -0.804 3.120 1.00 0.20 C ATOM 1570 CD2 LEU A 58 -14.084 -0.269 1.430 1.00 0.23 C ATOM 0 H LEU A 58 -16.286 -2.158 5.306 1.00 0.24 H new ATOM 0 HA LEU A 58 -13.526 -1.862 5.328 1.00 0.20 H new ATOM 0 HB2 LEU A 58 -14.748 -2.127 3.275 1.00 0.20 H new ATOM 0 HB3 LEU A 58 -15.712 -0.695 3.581 1.00 0.20 H new ATOM 0 HG LEU A 58 -13.763 0.743 3.270 1.00 0.19 H new ATOM 0 HD11 LEU A 58 -11.608 -0.196 2.548 1.00 0.20 H new ATOM 0 HD12 LEU A 58 -12.057 -0.750 4.179 1.00 0.20 H new ATOM 0 HD13 LEU A 58 -12.249 -1.840 2.785 1.00 0.20 H new ATOM 0 HD21 LEU A 58 -13.360 0.335 0.883 1.00 0.23 H new ATOM 0 HD22 LEU A 58 -14.073 -1.288 1.042 1.00 0.23 H new ATOM 0 HD23 LEU A 58 -15.080 0.156 1.305 1.00 0.23 H new ATOM 1582 N MET A 59 -15.079 1.051 5.574 1.00 0.21 N ATOM 1583 CA MET A 59 -15.015 2.401 6.105 1.00 0.26 C ATOM 1584 C MET A 59 -14.574 2.405 7.562 1.00 0.27 C ATOM 1585 O MET A 59 -13.768 3.228 7.966 1.00 0.33 O ATOM 1586 CB MET A 59 -16.391 3.056 6.003 1.00 0.36 C ATOM 1587 CG MET A 59 -16.324 4.555 5.837 1.00 0.34 C ATOM 1588 SD MET A 59 -15.644 5.011 4.237 1.00 0.72 S ATOM 1589 CE MET A 59 -14.779 6.506 4.673 1.00 0.32 C ATOM 0 H MET A 59 -15.927 0.862 5.039 1.00 0.21 H new ATOM 0 HA MET A 59 -14.283 2.957 5.519 1.00 0.26 H new ATOM 0 HB2 MET A 59 -16.929 2.627 5.158 1.00 0.36 H new ATOM 0 HB3 MET A 59 -16.966 2.821 6.899 1.00 0.36 H new ATOM 0 HG2 MET A 59 -17.323 4.979 5.943 1.00 0.34 H new ATOM 0 HG3 MET A 59 -15.710 4.983 6.630 1.00 0.34 H new ATOM 0 HE1 MET A 59 -13.926 6.640 4.007 1.00 0.32 H new ATOM 0 HE2 MET A 59 -15.453 7.357 4.576 1.00 0.32 H new ATOM 0 HE3 MET A 59 -14.428 6.436 5.703 1.00 0.32 H new ATOM 1599 N SER A 60 -15.108 1.472 8.331 1.00 0.28 N ATOM 1600 CA SER A 60 -14.826 1.387 9.757 1.00 0.35 C ATOM 1601 C SER A 60 -13.361 1.044 10.016 1.00 0.32 C ATOM 1602 O SER A 60 -12.669 1.757 10.740 1.00 0.36 O ATOM 1603 CB SER A 60 -15.707 0.313 10.380 1.00 0.41 C ATOM 1604 OG SER A 60 -15.700 0.384 11.795 1.00 0.64 O ATOM 0 H SER A 60 -15.747 0.754 7.988 1.00 0.28 H new ATOM 0 HA SER A 60 -15.035 2.359 10.204 1.00 0.35 H new ATOM 0 HB2 SER A 60 -16.728 0.424 10.015 1.00 0.41 H new ATOM 0 HB3 SER A 60 -15.360 -0.671 10.063 1.00 0.41 H new ATOM 0 HG SER A 60 -16.277 -0.319 12.161 1.00 0.64 H new ATOM 1610 N ASN A 61 -12.904 -0.055 9.426 1.00 0.30 N ATOM 1611 CA ASN A 61 -11.534 -0.527 9.621 1.00 0.31 C ATOM 1612 C ASN A 61 -10.547 0.488 9.081 1.00 0.31 C ATOM 1613 O ASN A 61 -9.493 0.738 9.667 1.00 0.39 O ATOM 1614 CB ASN A 61 -11.318 -1.862 8.909 1.00 0.34 C ATOM 1615 CG ASN A 61 -12.029 -3.017 9.578 1.00 0.43 C ATOM 1616 OD1 ASN A 61 -12.262 -3.009 10.783 1.00 0.95 O ATOM 1617 ND2 ASN A 61 -12.381 -4.027 8.799 1.00 0.57 N ATOM 0 H ASN A 61 -13.464 -0.640 8.805 1.00 0.30 H new ATOM 0 HA ASN A 61 -11.372 -0.660 10.691 1.00 0.31 H new ATOM 0 HB2 ASN A 61 -11.666 -1.777 7.879 1.00 0.34 H new ATOM 0 HB3 ASN A 61 -10.250 -2.076 8.868 1.00 0.34 H new ATOM 0 HD21 ASN A 61 -12.863 -4.834 9.196 1.00 0.57 H new ATOM 0 HD22 ASN A 61 -12.171 -3.999 7.801 1.00 0.57 H new ATOM 1624 N LEU A 62 -10.915 1.057 7.950 1.00 0.30 N ATOM 1625 CA LEU A 62 -10.108 2.065 7.282 1.00 0.33 C ATOM 1626 C LEU A 62 -9.977 3.308 8.142 1.00 0.33 C ATOM 1627 O LEU A 62 -8.875 3.759 8.444 1.00 0.38 O ATOM 1628 CB LEU A 62 -10.757 2.441 5.956 1.00 0.37 C ATOM 1629 CG LEU A 62 -9.798 2.503 4.782 1.00 0.24 C ATOM 1630 CD1 LEU A 62 -9.107 1.170 4.627 1.00 0.52 C ATOM 1631 CD2 LEU A 62 -10.532 2.875 3.509 1.00 0.28 C ATOM 0 H LEU A 62 -11.784 0.834 7.465 1.00 0.30 H new ATOM 0 HA LEU A 62 -9.115 1.651 7.109 1.00 0.33 H new ATOM 0 HB2 LEU A 62 -11.540 1.717 5.731 1.00 0.37 H new ATOM 0 HB3 LEU A 62 -11.241 3.411 6.065 1.00 0.37 H new ATOM 0 HG LEU A 62 -9.051 3.273 4.973 1.00 0.24 H new ATOM 0 HD11 LEU A 62 -8.418 1.213 3.784 1.00 0.52 H new ATOM 0 HD12 LEU A 62 -8.553 0.939 5.537 1.00 0.52 H new ATOM 0 HD13 LEU A 62 -9.851 0.393 4.448 1.00 0.52 H new ATOM 0 HD21 LEU A 62 -9.826 2.914 2.680 1.00 0.28 H new ATOM 0 HD22 LEU A 62 -11.298 2.128 3.299 1.00 0.28 H new ATOM 0 HD23 LEU A 62 -11.001 3.851 3.632 1.00 0.28 H new ATOM 1643 N ASP A 63 -11.126 3.852 8.511 1.00 0.37 N ATOM 1644 CA ASP A 63 -11.212 5.044 9.336 1.00 0.43 C ATOM 1645 C ASP A 63 -10.574 4.809 10.703 1.00 0.38 C ATOM 1646 O ASP A 63 -11.220 4.343 11.643 1.00 0.43 O ATOM 1647 CB ASP A 63 -12.680 5.438 9.465 1.00 0.56 C ATOM 1648 CG ASP A 63 -12.942 6.497 10.495 1.00 0.85 C ATOM 1649 OD1 ASP A 63 -12.249 7.530 10.498 1.00 1.35 O ATOM 1650 OD2 ASP A 63 -13.871 6.308 11.298 1.00 1.56 O ATOM 0 H ASP A 63 -12.034 3.473 8.243 1.00 0.37 H new ATOM 0 HA ASP A 63 -10.660 5.859 8.868 1.00 0.43 H new ATOM 0 HB2 ASP A 63 -13.037 5.791 8.497 1.00 0.56 H new ATOM 0 HB3 ASP A 63 -13.262 4.551 9.715 1.00 0.56 H new ATOM 1655 N SER A 64 -9.295 5.135 10.795 1.00 0.37 N ATOM 1656 CA SER A 64 -8.519 4.882 11.992 1.00 0.41 C ATOM 1657 C SER A 64 -8.649 6.061 12.953 1.00 0.52 C ATOM 1658 O SER A 64 -8.410 5.932 14.159 1.00 0.64 O ATOM 1659 CB SER A 64 -7.053 4.628 11.607 1.00 0.45 C ATOM 1660 OG SER A 64 -6.423 5.806 11.127 1.00 0.58 O ATOM 0 H SER A 64 -8.769 5.581 10.043 1.00 0.37 H new ATOM 0 HA SER A 64 -8.897 3.995 12.500 1.00 0.41 H new ATOM 0 HB2 SER A 64 -6.509 4.252 12.474 1.00 0.45 H new ATOM 0 HB3 SER A 64 -7.007 3.853 10.842 1.00 0.45 H new ATOM 0 HG SER A 64 -7.106 6.458 10.863 1.00 0.58 H new ATOM 1666 N ASN A 65 -9.053 7.207 12.410 1.00 0.60 N ATOM 1667 CA ASN A 65 -9.278 8.410 13.207 1.00 0.83 C ATOM 1668 C ASN A 65 -10.687 8.393 13.805 1.00 0.89 C ATOM 1669 O ASN A 65 -10.997 9.149 14.726 1.00 1.10 O ATOM 1670 CB ASN A 65 -9.067 9.667 12.352 1.00 0.95 C ATOM 1671 CG ASN A 65 -10.095 9.816 11.246 1.00 0.99 C ATOM 1672 OD1 ASN A 65 -11.122 10.470 11.424 1.00 1.52 O ATOM 1673 ND2 ASN A 65 -9.831 9.216 10.096 1.00 1.44 N ATOM 0 H ASN A 65 -9.232 7.328 11.413 1.00 0.60 H new ATOM 0 HA ASN A 65 -8.557 8.428 14.024 1.00 0.83 H new ATOM 0 HB2 ASN A 65 -9.104 10.546 12.995 1.00 0.95 H new ATOM 0 HB3 ASN A 65 -8.070 9.636 11.911 1.00 0.95 H new ATOM 0 HD21 ASN A 65 -10.490 9.287 9.320 1.00 1.44 H new ATOM 0 HD22 ASN A 65 -8.969 8.682 9.985 1.00 1.44 H new ATOM 1680 N ARG A 66 -11.527 7.521 13.252 1.00 0.79 N ATOM 1681 CA ARG A 66 -12.853 7.207 13.798 1.00 0.98 C ATOM 1682 C ARG A 66 -13.856 8.351 13.595 1.00 1.05 C ATOM 1683 O ARG A 66 -14.618 8.685 14.502 1.00 1.34 O ATOM 1684 CB ARG A 66 -12.765 6.825 15.284 1.00 1.26 C ATOM 1685 CG ARG A 66 -11.774 5.702 15.582 1.00 1.46 C ATOM 1686 CD ARG A 66 -11.998 4.482 14.696 1.00 1.25 C ATOM 1687 NE ARG A 66 -13.299 3.854 14.918 1.00 1.91 N ATOM 1688 CZ ARG A 66 -14.129 3.502 13.935 1.00 2.60 C ATOM 1689 NH1 ARG A 66 -13.782 3.694 12.669 1.00 2.85 N ATOM 1690 NH2 ARG A 66 -15.290 2.929 14.220 1.00 3.45 N ATOM 0 H ARG A 66 -11.307 7.004 12.401 1.00 0.79 H new ATOM 0 HA ARG A 66 -13.224 6.348 13.239 1.00 0.98 H new ATOM 0 HB2 ARG A 66 -12.482 7.707 15.859 1.00 1.26 H new ATOM 0 HB3 ARG A 66 -13.754 6.524 15.630 1.00 1.26 H new ATOM 0 HG2 ARG A 66 -10.758 6.070 15.440 1.00 1.46 H new ATOM 0 HG3 ARG A 66 -11.863 5.410 16.628 1.00 1.46 H new ATOM 0 HD2 ARG A 66 -11.916 4.778 13.650 1.00 1.25 H new ATOM 0 HD3 ARG A 66 -11.210 3.752 14.884 1.00 1.25 H new ATOM 0 HE ARG A 66 -13.589 3.675 15.879 1.00 1.91 H new ATOM 0 HH11 ARG A 66 -12.879 4.112 12.446 1.00 2.85 H new ATOM 0 HH12 ARG A 66 -14.419 3.424 11.919 1.00 2.85 H new ATOM 0 HH21 ARG A 66 -15.549 2.757 15.191 1.00 3.45 H new ATOM 0 HH22 ARG A 66 -15.924 2.660 13.468 1.00 3.45 H new ATOM 1704 N ASP A 67 -13.871 8.933 12.396 1.00 0.86 N ATOM 1705 CA ASP A 67 -14.878 9.941 12.045 1.00 1.00 C ATOM 1706 C ASP A 67 -15.518 9.621 10.687 1.00 0.88 C ATOM 1707 O ASP A 67 -16.323 10.391 10.162 1.00 0.94 O ATOM 1708 CB ASP A 67 -14.265 11.346 12.036 1.00 1.13 C ATOM 1709 CG ASP A 67 -15.307 12.438 11.866 1.00 1.57 C ATOM 1710 OD1 ASP A 67 -16.167 12.597 12.758 1.00 2.02 O ATOM 1711 OD2 ASP A 67 -15.269 13.151 10.844 1.00 2.08 O ATOM 0 H ASP A 67 -13.203 8.727 11.654 1.00 0.86 H new ATOM 0 HA ASP A 67 -15.659 9.916 12.805 1.00 1.00 H new ATOM 0 HB2 ASP A 67 -13.723 11.508 12.968 1.00 1.13 H new ATOM 0 HB3 ASP A 67 -13.537 11.415 11.228 1.00 1.13 H new ATOM 1716 N ASN A 68 -15.164 8.461 10.140 1.00 0.77 N ATOM 1717 CA ASN A 68 -15.682 7.987 8.847 1.00 0.74 C ATOM 1718 C ASN A 68 -15.196 8.836 7.677 1.00 0.65 C ATOM 1719 O ASN A 68 -15.849 8.900 6.633 1.00 0.66 O ATOM 1720 CB ASN A 68 -17.214 7.909 8.843 1.00 0.92 C ATOM 1721 CG ASN A 68 -17.744 6.591 9.384 1.00 1.13 C ATOM 1722 OD1 ASN A 68 -16.990 5.516 9.197 1.00 1.54 O flip ATOM 1723 ND2 ASN A 68 -18.830 6.537 9.959 1.00 1.75 N flip ATOM 0 H ASN A 68 -14.507 7.816 10.579 1.00 0.77 H new ATOM 0 HA ASN A 68 -15.284 6.981 8.715 1.00 0.74 H new ATOM 0 HB2 ASN A 68 -17.615 8.728 9.440 1.00 0.92 H new ATOM 0 HB3 ASN A 68 -17.577 8.049 7.825 1.00 0.92 H new ATOM 0 HD21 ASN A 68 -19.383 7.385 10.085 1.00 1.75 H new ATOM 0 HD22 ASN A 68 -19.177 5.645 10.310 1.00 1.75 H new ATOM 1730 N GLU A 69 -14.037 9.455 7.838 1.00 0.64 N ATOM 1731 CA GLU A 69 -13.403 10.181 6.747 1.00 0.63 C ATOM 1732 C GLU A 69 -11.988 9.665 6.541 1.00 0.54 C ATOM 1733 O GLU A 69 -11.172 9.674 7.464 1.00 0.65 O ATOM 1734 CB GLU A 69 -13.374 11.689 7.006 1.00 0.82 C ATOM 1735 CG GLU A 69 -14.732 12.362 6.907 1.00 0.95 C ATOM 1736 CD GLU A 69 -14.619 13.867 6.756 1.00 1.13 C ATOM 1737 OE1 GLU A 69 -14.285 14.551 7.747 1.00 1.59 O ATOM 1738 OE2 GLU A 69 -14.851 14.378 5.638 1.00 1.65 O ATOM 0 H GLU A 69 -13.515 9.470 8.714 1.00 0.64 H new ATOM 0 HA GLU A 69 -13.994 10.012 5.847 1.00 0.63 H new ATOM 0 HB2 GLU A 69 -12.963 11.868 8.000 1.00 0.82 H new ATOM 0 HB3 GLU A 69 -12.696 12.156 6.292 1.00 0.82 H new ATOM 0 HG2 GLU A 69 -15.276 11.954 6.055 1.00 0.95 H new ATOM 0 HG3 GLU A 69 -15.315 12.131 7.798 1.00 0.95 H new ATOM 1745 N VAL A 70 -11.705 9.208 5.334 1.00 0.40 N ATOM 1746 CA VAL A 70 -10.410 8.632 5.026 1.00 0.31 C ATOM 1747 C VAL A 70 -9.492 9.647 4.356 1.00 0.33 C ATOM 1748 O VAL A 70 -9.701 10.030 3.205 1.00 0.39 O ATOM 1749 CB VAL A 70 -10.558 7.386 4.124 1.00 0.28 C ATOM 1750 CG1 VAL A 70 -9.220 6.937 3.558 1.00 0.32 C ATOM 1751 CG2 VAL A 70 -11.200 6.253 4.906 1.00 0.29 C ATOM 0 H VAL A 70 -12.357 9.225 4.550 1.00 0.40 H new ATOM 0 HA VAL A 70 -9.959 8.332 5.972 1.00 0.31 H new ATOM 0 HB VAL A 70 -11.198 7.658 3.284 1.00 0.28 H new ATOM 0 HG11 VAL A 70 -9.367 6.059 2.930 1.00 0.32 H new ATOM 0 HG12 VAL A 70 -8.789 7.741 2.962 1.00 0.32 H new ATOM 0 HG13 VAL A 70 -8.544 6.689 4.376 1.00 0.32 H new ATOM 0 HG21 VAL A 70 -11.301 5.379 4.263 1.00 0.29 H new ATOM 0 HG22 VAL A 70 -10.575 6.003 5.763 1.00 0.29 H new ATOM 0 HG23 VAL A 70 -12.185 6.563 5.253 1.00 0.29 H new ATOM 1761 N ASP A 71 -8.498 10.106 5.104 1.00 0.36 N ATOM 1762 CA ASP A 71 -7.408 10.873 4.524 1.00 0.40 C ATOM 1763 C ASP A 71 -6.395 9.879 3.985 1.00 0.32 C ATOM 1764 O ASP A 71 -6.619 8.671 4.079 1.00 0.29 O ATOM 1765 CB ASP A 71 -6.759 11.791 5.564 1.00 0.49 C ATOM 1766 CG ASP A 71 -6.027 12.964 4.931 1.00 0.61 C ATOM 1767 OD1 ASP A 71 -4.919 12.771 4.392 1.00 1.22 O ATOM 1768 OD2 ASP A 71 -6.566 14.086 4.969 1.00 1.32 O ATOM 0 H ASP A 71 -8.425 9.960 6.111 1.00 0.36 H new ATOM 0 HA ASP A 71 -7.784 11.515 3.728 1.00 0.40 H new ATOM 0 HB2 ASP A 71 -7.526 12.168 6.240 1.00 0.49 H new ATOM 0 HB3 ASP A 71 -6.059 11.213 6.167 1.00 0.49 H new ATOM 1773 N PHE A 72 -5.291 10.349 3.438 1.00 0.36 N ATOM 1774 CA PHE A 72 -4.332 9.448 2.826 1.00 0.36 C ATOM 1775 C PHE A 72 -3.782 8.446 3.839 1.00 0.30 C ATOM 1776 O PHE A 72 -3.433 7.320 3.480 1.00 0.39 O ATOM 1777 CB PHE A 72 -3.190 10.195 2.175 1.00 0.51 C ATOM 1778 CG PHE A 72 -2.515 9.305 1.199 1.00 0.58 C ATOM 1779 CD1 PHE A 72 -3.053 9.130 -0.059 1.00 1.38 C ATOM 1780 CD2 PHE A 72 -1.390 8.601 1.551 1.00 1.26 C ATOM 1781 CE1 PHE A 72 -2.470 8.275 -0.956 1.00 1.46 C ATOM 1782 CE2 PHE A 72 -0.803 7.741 0.661 1.00 1.29 C ATOM 1783 CZ PHE A 72 -1.335 7.576 -0.590 1.00 0.78 C ATOM 0 H PHE A 72 -5.037 11.336 3.404 1.00 0.36 H new ATOM 0 HA PHE A 72 -4.871 8.904 2.050 1.00 0.36 H new ATOM 0 HB2 PHE A 72 -3.563 11.087 1.673 1.00 0.51 H new ATOM 0 HB3 PHE A 72 -2.480 10.529 2.932 1.00 0.51 H new ATOM 0 HD1 PHE A 72 -3.943 9.673 -0.340 1.00 1.38 H new ATOM 0 HD2 PHE A 72 -0.965 8.726 2.536 1.00 1.26 H new ATOM 0 HE1 PHE A 72 -2.894 8.148 -1.941 1.00 1.46 H new ATOM 0 HE2 PHE A 72 0.082 7.192 0.947 1.00 1.29 H new ATOM 0 HZ PHE A 72 -0.868 6.900 -1.291 1.00 0.78 H new ATOM 1793 N GLN A 73 -3.699 8.861 5.094 1.00 0.30 N ATOM 1794 CA GLN A 73 -3.329 7.964 6.184 1.00 0.41 C ATOM 1795 C GLN A 73 -4.145 6.676 6.130 1.00 0.38 C ATOM 1796 O GLN A 73 -3.595 5.585 6.001 1.00 0.44 O ATOM 1797 CB GLN A 73 -3.545 8.649 7.534 1.00 0.61 C ATOM 1798 CG GLN A 73 -2.432 9.599 7.937 1.00 0.85 C ATOM 1799 CD GLN A 73 -1.231 8.876 8.514 1.00 0.83 C ATOM 1800 OE1 GLN A 73 -1.479 7.792 9.233 1.00 1.20 O flip ATOM 1801 NE2 GLN A 73 -0.095 9.314 8.349 1.00 1.48 N flip ATOM 0 H GLN A 73 -3.884 9.820 5.387 1.00 0.30 H new ATOM 0 HA GLN A 73 -2.274 7.716 6.070 1.00 0.41 H new ATOM 0 HB2 GLN A 73 -4.484 9.201 7.502 1.00 0.61 H new ATOM 0 HB3 GLN A 73 -3.651 7.884 8.304 1.00 0.61 H new ATOM 0 HG2 GLN A 73 -2.120 10.178 7.067 1.00 0.85 H new ATOM 0 HG3 GLN A 73 -2.813 10.308 8.672 1.00 0.85 H new ATOM 0 HE21 GLN A 73 0.052 10.153 7.787 1.00 1.48 H new ATOM 0 HE22 GLN A 73 0.701 8.839 8.774 1.00 1.48 H new ATOM 1810 N GLU A 74 -5.466 6.809 6.186 1.00 0.34 N ATOM 1811 CA GLU A 74 -6.347 5.647 6.199 1.00 0.37 C ATOM 1812 C GLU A 74 -6.353 4.986 4.821 1.00 0.32 C ATOM 1813 O GLU A 74 -6.815 3.858 4.653 1.00 0.36 O ATOM 1814 CB GLU A 74 -7.781 6.051 6.574 1.00 0.44 C ATOM 1815 CG GLU A 74 -7.917 7.429 7.219 1.00 0.52 C ATOM 1816 CD GLU A 74 -7.350 7.508 8.620 1.00 0.58 C ATOM 1817 OE1 GLU A 74 -8.068 7.170 9.579 1.00 1.29 O ATOM 1818 OE2 GLU A 74 -6.193 7.938 8.771 1.00 1.16 O ATOM 0 H GLU A 74 -5.949 7.707 6.223 1.00 0.34 H new ATOM 0 HA GLU A 74 -5.974 4.945 6.945 1.00 0.37 H new ATOM 0 HB2 GLU A 74 -8.396 6.025 5.675 1.00 0.44 H new ATOM 0 HB3 GLU A 74 -8.185 5.305 7.258 1.00 0.44 H new ATOM 0 HG2 GLU A 74 -7.413 8.164 6.592 1.00 0.52 H new ATOM 0 HG3 GLU A 74 -8.971 7.703 7.248 1.00 0.52 H new ATOM 1825 N TYR A 75 -5.818 5.702 3.845 1.00 0.26 N ATOM 1826 CA TYR A 75 -5.875 5.284 2.456 1.00 0.25 C ATOM 1827 C TYR A 75 -4.666 4.421 2.068 1.00 0.24 C ATOM 1828 O TYR A 75 -4.798 3.493 1.270 1.00 0.28 O ATOM 1829 CB TYR A 75 -5.962 6.525 1.567 1.00 0.25 C ATOM 1830 CG TYR A 75 -6.343 6.239 0.136 1.00 0.26 C ATOM 1831 CD1 TYR A 75 -5.434 5.660 -0.741 1.00 1.17 C ATOM 1832 CD2 TYR A 75 -7.612 6.547 -0.335 1.00 1.27 C ATOM 1833 CE1 TYR A 75 -5.774 5.394 -2.049 1.00 1.17 C ATOM 1834 CE2 TYR A 75 -7.958 6.286 -1.650 1.00 1.30 C ATOM 1835 CZ TYR A 75 -7.033 5.708 -2.500 1.00 0.38 C ATOM 1836 OH TYR A 75 -7.363 5.449 -3.807 1.00 0.47 O ATOM 0 H TYR A 75 -5.333 6.587 3.994 1.00 0.26 H new ATOM 0 HA TYR A 75 -6.761 4.665 2.315 1.00 0.25 H new ATOM 0 HB2 TYR A 75 -6.692 7.213 1.994 1.00 0.25 H new ATOM 0 HB3 TYR A 75 -4.998 7.034 1.579 1.00 0.25 H new ATOM 0 HD1 TYR A 75 -4.442 5.414 -0.391 1.00 1.17 H new ATOM 0 HD2 TYR A 75 -8.336 6.994 0.330 1.00 1.27 H new ATOM 0 HE1 TYR A 75 -5.055 4.941 -2.716 1.00 1.17 H new ATOM 0 HE2 TYR A 75 -8.946 6.533 -2.010 1.00 1.30 H new ATOM 0 HH TYR A 75 -6.856 4.673 -4.125 1.00 0.47 H new ATOM 1846 N CYS A 76 -3.490 4.716 2.618 1.00 0.22 N ATOM 1847 CA CYS A 76 -2.299 3.921 2.314 1.00 0.21 C ATOM 1848 C CYS A 76 -2.502 2.494 2.786 1.00 0.15 C ATOM 1849 O CYS A 76 -2.212 1.531 2.074 1.00 0.17 O ATOM 1850 CB CYS A 76 -1.043 4.512 2.974 1.00 0.27 C ATOM 1851 SG CYS A 76 -1.050 4.505 4.781 1.00 1.65 S ATOM 0 H CYS A 76 -3.335 5.487 3.267 1.00 0.22 H new ATOM 0 HA CYS A 76 -2.151 3.936 1.234 1.00 0.21 H new ATOM 0 HB2 CYS A 76 -0.173 3.954 2.628 1.00 0.27 H new ATOM 0 HB3 CYS A 76 -0.920 5.539 2.631 1.00 0.27 H new ATOM 0 HG CYS A 76 -2.186 4.967 5.212 1.00 1.65 H new ATOM 1857 N VAL A 77 -3.036 2.378 3.983 1.00 0.16 N ATOM 1858 CA VAL A 77 -3.254 1.095 4.601 1.00 0.17 C ATOM 1859 C VAL A 77 -4.455 0.398 3.999 1.00 0.17 C ATOM 1860 O VAL A 77 -4.625 -0.803 4.167 1.00 0.19 O ATOM 1861 CB VAL A 77 -3.425 1.251 6.112 1.00 0.20 C ATOM 1862 CG1 VAL A 77 -2.148 1.812 6.692 1.00 0.23 C ATOM 1863 CG2 VAL A 77 -4.605 2.155 6.445 1.00 0.19 C ATOM 0 H VAL A 77 -3.330 3.172 4.552 1.00 0.16 H new ATOM 0 HA VAL A 77 -2.377 0.476 4.413 1.00 0.17 H new ATOM 0 HB VAL A 77 -3.632 0.274 6.549 1.00 0.20 H new ATOM 0 HG11 VAL A 77 -2.258 1.928 7.770 1.00 0.23 H new ATOM 0 HG12 VAL A 77 -1.323 1.131 6.483 1.00 0.23 H new ATOM 0 HG13 VAL A 77 -1.940 2.783 6.242 1.00 0.23 H new ATOM 0 HG21 VAL A 77 -4.700 2.246 7.527 1.00 0.19 H new ATOM 0 HG22 VAL A 77 -4.441 3.141 6.011 1.00 0.19 H new ATOM 0 HG23 VAL A 77 -5.519 1.726 6.035 1.00 0.19 H new ATOM 1873 N PHE A 78 -5.283 1.161 3.302 1.00 0.20 N ATOM 1874 CA PHE A 78 -6.362 0.601 2.527 1.00 0.22 C ATOM 1875 C PHE A 78 -5.794 -0.419 1.563 1.00 0.19 C ATOM 1876 O PHE A 78 -6.008 -1.614 1.714 1.00 0.18 O ATOM 1877 CB PHE A 78 -7.085 1.733 1.778 1.00 0.30 C ATOM 1878 CG PHE A 78 -8.168 1.312 0.840 1.00 0.22 C ATOM 1879 CD1 PHE A 78 -9.254 0.576 1.269 1.00 1.19 C ATOM 1880 CD2 PHE A 78 -8.100 1.694 -0.485 1.00 1.21 C ATOM 1881 CE1 PHE A 78 -10.254 0.228 0.388 1.00 1.21 C ATOM 1882 CE2 PHE A 78 -9.088 1.347 -1.371 1.00 1.20 C ATOM 1883 CZ PHE A 78 -10.171 0.613 -0.937 1.00 0.22 C ATOM 0 H PHE A 78 -5.221 2.178 3.262 1.00 0.20 H new ATOM 0 HA PHE A 78 -7.084 0.103 3.174 1.00 0.22 H new ATOM 0 HB2 PHE A 78 -7.514 2.413 2.514 1.00 0.30 H new ATOM 0 HB3 PHE A 78 -6.344 2.300 1.214 1.00 0.30 H new ATOM 0 HD1 PHE A 78 -9.320 0.271 2.303 1.00 1.19 H new ATOM 0 HD2 PHE A 78 -7.257 2.274 -0.829 1.00 1.21 H new ATOM 0 HE1 PHE A 78 -11.102 -0.345 0.732 1.00 1.21 H new ATOM 0 HE2 PHE A 78 -9.018 1.648 -2.406 1.00 1.20 H new ATOM 0 HZ PHE A 78 -10.953 0.339 -1.630 1.00 0.22 H new ATOM 1893 N LEU A 79 -4.985 0.060 0.642 1.00 0.20 N ATOM 1894 CA LEU A 79 -4.499 -0.758 -0.448 1.00 0.19 C ATOM 1895 C LEU A 79 -3.500 -1.805 -0.012 1.00 0.16 C ATOM 1896 O LEU A 79 -3.623 -2.964 -0.375 1.00 0.18 O ATOM 1897 CB LEU A 79 -3.908 0.130 -1.520 1.00 0.22 C ATOM 1898 CG LEU A 79 -4.949 1.004 -2.186 1.00 0.15 C ATOM 1899 CD1 LEU A 79 -4.348 1.769 -3.349 1.00 0.16 C ATOM 1900 CD2 LEU A 79 -6.112 0.131 -2.623 1.00 0.16 C ATOM 0 H LEU A 79 -4.647 1.022 0.628 1.00 0.20 H new ATOM 0 HA LEU A 79 -5.353 -1.307 -0.845 1.00 0.19 H new ATOM 0 HB2 LEU A 79 -3.136 0.761 -1.080 1.00 0.22 H new ATOM 0 HB3 LEU A 79 -3.422 -0.490 -2.274 1.00 0.22 H new ATOM 0 HG LEU A 79 -5.315 1.749 -1.479 1.00 0.15 H new ATOM 0 HD11 LEU A 79 -5.115 2.390 -3.811 1.00 0.16 H new ATOM 0 HD12 LEU A 79 -3.538 2.402 -2.988 1.00 0.16 H new ATOM 0 HD13 LEU A 79 -3.958 1.065 -4.085 1.00 0.16 H new ATOM 0 HD21 LEU A 79 -6.870 0.749 -3.105 1.00 0.16 H new ATOM 0 HD22 LEU A 79 -5.757 -0.622 -3.326 1.00 0.16 H new ATOM 0 HD23 LEU A 79 -6.545 -0.361 -1.752 1.00 0.16 H new ATOM 1912 N SER A 80 -2.523 -1.427 0.772 1.00 0.15 N ATOM 1913 CA SER A 80 -1.501 -2.375 1.165 1.00 0.15 C ATOM 1914 C SER A 80 -2.117 -3.551 1.916 1.00 0.15 C ATOM 1915 O SER A 80 -1.623 -4.675 1.859 1.00 0.18 O ATOM 1916 CB SER A 80 -0.454 -1.671 1.999 1.00 0.17 C ATOM 1917 OG SER A 80 0.163 -0.645 1.248 1.00 0.23 O ATOM 0 H SER A 80 -2.410 -0.486 1.148 1.00 0.15 H new ATOM 0 HA SER A 80 -1.020 -2.778 0.274 1.00 0.15 H new ATOM 0 HB2 SER A 80 -0.914 -1.250 2.893 1.00 0.17 H new ATOM 0 HB3 SER A 80 0.296 -2.387 2.334 1.00 0.17 H new ATOM 0 HG SER A 80 1.135 -0.765 1.268 1.00 0.23 H new ATOM 1923 N CYS A 81 -3.216 -3.290 2.598 1.00 0.14 N ATOM 1924 CA CYS A 81 -3.945 -4.338 3.280 1.00 0.15 C ATOM 1925 C CYS A 81 -4.872 -5.093 2.330 1.00 0.14 C ATOM 1926 O CYS A 81 -5.259 -6.229 2.609 1.00 0.16 O ATOM 1927 CB CYS A 81 -4.699 -3.750 4.454 1.00 0.17 C ATOM 1928 SG CYS A 81 -3.603 -3.148 5.755 1.00 0.22 S ATOM 0 H CYS A 81 -3.623 -2.359 2.693 1.00 0.14 H new ATOM 0 HA CYS A 81 -3.232 -5.071 3.657 1.00 0.15 H new ATOM 0 HB2 CYS A 81 -5.325 -2.930 4.104 1.00 0.17 H new ATOM 0 HB3 CYS A 81 -5.366 -4.506 4.868 1.00 0.17 H new ATOM 0 HG CYS A 81 -3.369 -1.882 5.574 1.00 0.22 H new ATOM 1934 N ILE A 82 -5.213 -4.487 1.193 1.00 0.13 N ATOM 1935 CA ILE A 82 -5.997 -5.192 0.192 1.00 0.14 C ATOM 1936 C ILE A 82 -5.056 -6.041 -0.653 1.00 0.17 C ATOM 1937 O ILE A 82 -5.481 -6.988 -1.296 1.00 0.21 O ATOM 1938 CB ILE A 82 -6.831 -4.262 -0.723 1.00 0.15 C ATOM 1939 CG1 ILE A 82 -7.597 -3.234 0.092 1.00 0.15 C ATOM 1940 CG2 ILE A 82 -7.827 -5.076 -1.539 1.00 0.16 C ATOM 1941 CD1 ILE A 82 -8.486 -2.347 -0.745 1.00 0.18 C ATOM 0 H ILE A 82 -4.963 -3.529 0.949 1.00 0.13 H new ATOM 0 HA ILE A 82 -6.720 -5.809 0.726 1.00 0.14 H new ATOM 0 HB ILE A 82 -6.136 -3.748 -1.387 1.00 0.15 H new ATOM 0 HG12 ILE A 82 -8.206 -3.750 0.834 1.00 0.15 H new ATOM 0 HG13 ILE A 82 -6.888 -2.613 0.639 1.00 0.15 H new ATOM 0 HG21 ILE A 82 -8.406 -4.409 -2.177 1.00 0.16 H new ATOM 0 HG22 ILE A 82 -7.289 -5.794 -2.158 1.00 0.16 H new ATOM 0 HG23 ILE A 82 -8.499 -5.608 -0.866 1.00 0.16 H new ATOM 0 HD11 ILE A 82 -9.003 -1.637 -0.100 1.00 0.18 H new ATOM 0 HD12 ILE A 82 -7.879 -1.804 -1.470 1.00 0.18 H new ATOM 0 HD13 ILE A 82 -9.219 -2.959 -1.271 1.00 0.18 H new ATOM 1953 N ALA A 83 -3.767 -5.687 -0.669 1.00 0.18 N ATOM 1954 CA ALA A 83 -2.750 -6.588 -1.182 1.00 0.23 C ATOM 1955 C ALA A 83 -2.724 -7.868 -0.372 1.00 0.20 C ATOM 1956 O ALA A 83 -2.778 -8.967 -0.922 1.00 0.21 O ATOM 1957 CB ALA A 83 -1.401 -5.935 -1.112 1.00 0.30 C ATOM 0 H ALA A 83 -3.413 -4.791 -0.335 1.00 0.18 H new ATOM 0 HA ALA A 83 -2.990 -6.822 -2.219 1.00 0.23 H new ATOM 0 HB1 ALA A 83 -0.645 -6.619 -1.499 1.00 0.30 H new ATOM 0 HB2 ALA A 83 -1.406 -5.024 -1.710 1.00 0.30 H new ATOM 0 HB3 ALA A 83 -1.170 -5.687 -0.076 1.00 0.30 H new ATOM 1963 N MET A 84 -2.639 -7.718 0.945 1.00 0.22 N ATOM 1964 CA MET A 84 -2.683 -8.862 1.845 1.00 0.25 C ATOM 1965 C MET A 84 -3.979 -9.632 1.637 1.00 0.24 C ATOM 1966 O MET A 84 -4.003 -10.859 1.696 1.00 0.28 O ATOM 1967 CB MET A 84 -2.529 -8.418 3.300 1.00 0.30 C ATOM 1968 CG MET A 84 -1.100 -8.046 3.656 1.00 0.34 C ATOM 1969 SD MET A 84 -0.926 -7.443 5.344 1.00 0.36 S ATOM 1970 CE MET A 84 -1.843 -5.914 5.235 1.00 0.20 C ATOM 0 H MET A 84 -2.539 -6.816 1.412 1.00 0.22 H new ATOM 0 HA MET A 84 -1.847 -9.523 1.617 1.00 0.25 H new ATOM 0 HB2 MET A 84 -3.179 -7.562 3.484 1.00 0.30 H new ATOM 0 HB3 MET A 84 -2.865 -9.220 3.957 1.00 0.30 H new ATOM 0 HG2 MET A 84 -0.460 -8.917 3.520 1.00 0.34 H new ATOM 0 HG3 MET A 84 -0.747 -7.280 2.965 1.00 0.34 H new ATOM 0 HE1 MET A 84 -1.758 -5.371 6.176 1.00 0.20 H new ATOM 0 HE2 MET A 84 -1.439 -5.304 4.427 1.00 0.20 H new ATOM 0 HE3 MET A 84 -2.892 -6.132 5.035 1.00 0.20 H new ATOM 1980 N MET A 85 -5.050 -8.898 1.376 1.00 0.25 N ATOM 1981 CA MET A 85 -6.309 -9.502 0.964 1.00 0.36 C ATOM 1982 C MET A 85 -6.120 -10.261 -0.343 1.00 0.33 C ATOM 1983 O MET A 85 -6.479 -11.428 -0.448 1.00 0.43 O ATOM 1984 CB MET A 85 -7.370 -8.426 0.745 1.00 0.62 C ATOM 1985 CG MET A 85 -8.719 -8.995 0.343 1.00 0.77 C ATOM 1986 SD MET A 85 -9.639 -7.893 -0.736 1.00 0.67 S ATOM 1987 CE MET A 85 -10.355 -6.787 0.467 1.00 0.30 C ATOM 0 H MET A 85 -5.073 -7.880 1.442 1.00 0.25 H new ATOM 0 HA MET A 85 -6.631 -10.183 1.752 1.00 0.36 H new ATOM 0 HB2 MET A 85 -7.485 -7.846 1.660 1.00 0.62 H new ATOM 0 HB3 MET A 85 -7.027 -7.738 -0.028 1.00 0.62 H new ATOM 0 HG2 MET A 85 -8.571 -9.950 -0.160 1.00 0.77 H new ATOM 0 HG3 MET A 85 -9.307 -9.195 1.239 1.00 0.77 H new ATOM 0 HE1 MET A 85 -11.181 -6.240 0.012 1.00 0.30 H new ATOM 0 HE2 MET A 85 -10.725 -7.363 1.315 1.00 0.30 H new ATOM 0 HE3 MET A 85 -9.597 -6.082 0.809 1.00 0.30 H new ATOM 1997 N CYS A 86 -5.537 -9.575 -1.323 1.00 0.32 N ATOM 1998 CA CYS A 86 -5.368 -10.091 -2.673 1.00 0.43 C ATOM 1999 C CYS A 86 -4.566 -11.393 -2.717 1.00 0.43 C ATOM 2000 O CYS A 86 -4.588 -12.079 -3.721 1.00 0.58 O ATOM 2001 CB CYS A 86 -4.692 -9.029 -3.551 1.00 0.49 C ATOM 2002 SG CYS A 86 -4.648 -9.421 -5.317 1.00 0.57 S ATOM 0 H CYS A 86 -5.165 -8.634 -1.197 1.00 0.32 H new ATOM 0 HA CYS A 86 -6.362 -10.320 -3.056 1.00 0.43 H new ATOM 0 HB2 CYS A 86 -5.213 -8.081 -3.416 1.00 0.49 H new ATOM 0 HB3 CYS A 86 -3.670 -8.884 -3.200 1.00 0.49 H new ATOM 0 HG CYS A 86 -4.579 -10.710 -5.474 1.00 0.57 H new ATOM 2008 N ASN A 87 -3.844 -11.734 -1.655 1.00 0.36 N ATOM 2009 CA ASN A 87 -3.110 -13.002 -1.636 1.00 0.44 C ATOM 2010 C ASN A 87 -4.053 -14.158 -1.316 1.00 0.47 C ATOM 2011 O ASN A 87 -4.035 -15.194 -1.981 1.00 0.54 O ATOM 2012 CB ASN A 87 -1.965 -12.969 -0.622 1.00 0.54 C ATOM 2013 CG ASN A 87 -1.017 -14.150 -0.775 1.00 0.72 C ATOM 2014 OD1 ASN A 87 -0.074 -14.102 -1.569 1.00 1.43 O ATOM 2015 ND2 ASN A 87 -1.240 -15.207 -0.007 1.00 1.23 N ATOM 0 H ASN A 87 -3.749 -11.168 -0.812 1.00 0.36 H new ATOM 0 HA ASN A 87 -2.683 -13.151 -2.628 1.00 0.44 H new ATOM 0 HB2 ASN A 87 -1.406 -12.041 -0.740 1.00 0.54 H new ATOM 0 HB3 ASN A 87 -2.377 -12.967 0.387 1.00 0.54 H new ATOM 0 HD21 ASN A 87 -0.622 -16.016 -0.061 1.00 1.23 H new ATOM 0 HD22 ASN A 87 -2.030 -15.211 0.638 1.00 1.23 H new ATOM 2022 N GLU A 88 -4.881 -13.971 -0.298 1.00 0.56 N ATOM 2023 CA GLU A 88 -5.862 -14.979 0.094 1.00 0.70 C ATOM 2024 C GLU A 88 -7.065 -14.948 -0.839 1.00 0.73 C ATOM 2025 O GLU A 88 -7.548 -15.985 -1.300 1.00 0.82 O ATOM 2026 CB GLU A 88 -6.301 -14.751 1.545 1.00 0.96 C ATOM 2027 CG GLU A 88 -5.432 -15.466 2.570 1.00 1.81 C ATOM 2028 CD GLU A 88 -3.960 -15.109 2.459 1.00 2.18 C ATOM 2029 OE1 GLU A 88 -3.548 -14.089 3.038 1.00 2.78 O ATOM 2030 OE2 GLU A 88 -3.213 -15.855 1.790 1.00 2.60 O ATOM 0 H GLU A 88 -4.894 -13.127 0.275 1.00 0.56 H new ATOM 0 HA GLU A 88 -5.399 -15.963 0.019 1.00 0.70 H new ATOM 0 HB2 GLU A 88 -6.288 -13.681 1.755 1.00 0.96 H new ATOM 0 HB3 GLU A 88 -7.332 -15.086 1.660 1.00 0.96 H new ATOM 0 HG2 GLU A 88 -5.785 -15.219 3.571 1.00 1.81 H new ATOM 0 HG3 GLU A 88 -5.548 -16.543 2.448 1.00 1.81 H new ATOM 2285 N ALA B 2 -3.453 -0.011 -17.819 1.00 0.34 N ATOM 2286 CA ALA B 2 -4.010 -1.069 -16.999 1.00 0.30 C ATOM 2287 C ALA B 2 -5.003 -0.464 -16.020 1.00 0.27 C ATOM 2288 O ALA B 2 -5.092 0.758 -15.924 1.00 0.36 O ATOM 2289 CB ALA B 2 -2.894 -1.795 -16.262 1.00 0.30 C ATOM 0 HA ALA B 2 -4.528 -1.794 -17.627 1.00 0.30 H new ATOM 0 HB1 ALA B 2 -3.320 -2.589 -15.648 1.00 0.30 H new ATOM 0 HB2 ALA B 2 -2.202 -2.227 -16.985 1.00 0.30 H new ATOM 0 HB3 ALA B 2 -2.360 -1.090 -15.625 1.00 0.30 H new ATOM 2295 N CYS B 3 -5.754 -1.298 -15.311 1.00 0.25 N ATOM 2296 CA CYS B 3 -6.627 -0.818 -14.254 1.00 0.23 C ATOM 2297 C CYS B 3 -5.766 -0.350 -13.093 1.00 0.17 C ATOM 2298 O CYS B 3 -5.239 -1.168 -12.341 1.00 0.17 O ATOM 2299 CB CYS B 3 -7.585 -1.921 -13.803 1.00 0.28 C ATOM 2300 SG CYS B 3 -8.603 -2.605 -15.133 1.00 0.39 S ATOM 0 H CYS B 3 -5.774 -2.308 -15.451 1.00 0.25 H new ATOM 0 HA CYS B 3 -7.230 0.011 -14.623 1.00 0.23 H new ATOM 0 HB2 CYS B 3 -7.007 -2.727 -13.351 1.00 0.28 H new ATOM 0 HB3 CYS B 3 -8.239 -1.524 -13.027 1.00 0.28 H new ATOM 0 HG CYS B 3 -9.378 -3.532 -14.653 1.00 0.39 H new ATOM 2306 N PRO B 4 -5.606 0.971 -12.950 1.00 0.16 N ATOM 2307 CA PRO B 4 -4.601 1.564 -12.065 1.00 0.13 C ATOM 2308 C PRO B 4 -4.648 1.013 -10.651 1.00 0.12 C ATOM 2309 O PRO B 4 -3.701 0.377 -10.184 1.00 0.12 O ATOM 2310 CB PRO B 4 -4.987 3.041 -12.060 1.00 0.17 C ATOM 2311 CG PRO B 4 -5.642 3.257 -13.370 1.00 0.20 C ATOM 2312 CD PRO B 4 -6.417 2.002 -13.626 1.00 0.20 C ATOM 0 HA PRO B 4 -3.588 1.356 -12.410 1.00 0.13 H new ATOM 0 HB2 PRO B 4 -5.662 3.272 -11.236 1.00 0.17 H new ATOM 0 HB3 PRO B 4 -4.111 3.680 -11.944 1.00 0.17 H new ATOM 0 HG2 PRO B 4 -6.297 4.128 -13.345 1.00 0.20 H new ATOM 0 HG3 PRO B 4 -4.907 3.434 -14.155 1.00 0.20 H new ATOM 0 HD2 PRO B 4 -7.425 2.058 -13.214 1.00 0.20 H new ATOM 0 HD3 PRO B 4 -6.519 1.801 -14.692 1.00 0.20 H new ATOM 2320 N LEU B 5 -5.771 1.223 -9.990 1.00 0.13 N ATOM 2321 CA LEU B 5 -5.906 0.846 -8.598 1.00 0.14 C ATOM 2322 C LEU B 5 -5.991 -0.671 -8.464 1.00 0.16 C ATOM 2323 O LEU B 5 -5.524 -1.234 -7.482 1.00 0.22 O ATOM 2324 CB LEU B 5 -7.139 1.522 -7.995 1.00 0.15 C ATOM 2325 CG LEU B 5 -6.964 2.096 -6.589 1.00 0.16 C ATOM 2326 CD1 LEU B 5 -6.724 0.993 -5.595 1.00 0.18 C ATOM 2327 CD2 LEU B 5 -5.819 3.091 -6.539 1.00 0.17 C ATOM 0 H LEU B 5 -6.602 1.653 -10.396 1.00 0.13 H new ATOM 0 HA LEU B 5 -5.026 1.181 -8.049 1.00 0.14 H new ATOM 0 HB2 LEU B 5 -7.449 2.328 -8.660 1.00 0.15 H new ATOM 0 HB3 LEU B 5 -7.952 0.797 -7.972 1.00 0.15 H new ATOM 0 HG LEU B 5 -7.885 2.618 -6.329 1.00 0.16 H new ATOM 0 HD11 LEU B 5 -6.602 1.420 -4.600 1.00 0.18 H new ATOM 0 HD12 LEU B 5 -7.575 0.312 -5.595 1.00 0.18 H new ATOM 0 HD13 LEU B 5 -5.821 0.447 -5.869 1.00 0.18 H new ATOM 0 HD21 LEU B 5 -5.720 3.481 -5.526 1.00 0.17 H new ATOM 0 HD22 LEU B 5 -4.893 2.595 -6.829 1.00 0.17 H new ATOM 0 HD23 LEU B 5 -6.021 3.913 -7.226 1.00 0.17 H new ATOM 2339 N GLU B 6 -6.558 -1.333 -9.467 1.00 0.16 N ATOM 2340 CA GLU B 6 -6.682 -2.785 -9.432 1.00 0.20 C ATOM 2341 C GLU B 6 -5.309 -3.442 -9.482 1.00 0.18 C ATOM 2342 O GLU B 6 -5.028 -4.373 -8.722 1.00 0.23 O ATOM 2343 CB GLU B 6 -7.551 -3.300 -10.581 1.00 0.29 C ATOM 2344 CG GLU B 6 -7.712 -4.813 -10.577 1.00 0.43 C ATOM 2345 CD GLU B 6 -8.716 -5.306 -11.591 1.00 0.90 C ATOM 2346 OE1 GLU B 6 -8.428 -5.237 -12.806 1.00 1.79 O ATOM 2347 OE2 GLU B 6 -9.802 -5.765 -11.183 1.00 1.39 O ATOM 0 H GLU B 6 -6.935 -0.892 -10.306 1.00 0.16 H new ATOM 0 HA GLU B 6 -7.168 -3.050 -8.493 1.00 0.20 H new ATOM 0 HB2 GLU B 6 -8.535 -2.836 -10.520 1.00 0.29 H new ATOM 0 HB3 GLU B 6 -7.111 -2.990 -11.529 1.00 0.29 H new ATOM 0 HG2 GLU B 6 -6.746 -5.275 -10.777 1.00 0.43 H new ATOM 0 HG3 GLU B 6 -8.020 -5.137 -9.583 1.00 0.43 H new ATOM 2354 N LYS B 7 -4.451 -2.946 -10.369 1.00 0.16 N ATOM 2355 CA LYS B 7 -3.109 -3.483 -10.494 1.00 0.18 C ATOM 2356 C LYS B 7 -2.330 -3.252 -9.215 1.00 0.17 C ATOM 2357 O LYS B 7 -1.527 -4.087 -8.832 1.00 0.19 O ATOM 2358 CB LYS B 7 -2.376 -2.884 -11.707 1.00 0.25 C ATOM 2359 CG LYS B 7 -2.987 -3.285 -13.044 1.00 0.41 C ATOM 2360 CD LYS B 7 -3.040 -4.797 -13.229 1.00 0.90 C ATOM 2361 CE LYS B 7 -1.652 -5.409 -13.338 1.00 0.84 C ATOM 2362 NZ LYS B 7 -1.705 -6.892 -13.409 1.00 1.18 N ATOM 0 H LYS B 7 -4.664 -2.178 -11.006 1.00 0.16 H new ATOM 0 HA LYS B 7 -3.186 -4.557 -10.661 1.00 0.18 H new ATOM 0 HB2 LYS B 7 -2.382 -1.797 -11.625 1.00 0.25 H new ATOM 0 HB3 LYS B 7 -1.333 -3.200 -11.684 1.00 0.25 H new ATOM 0 HG2 LYS B 7 -3.995 -2.877 -13.116 1.00 0.41 H new ATOM 0 HG3 LYS B 7 -2.406 -2.843 -13.853 1.00 0.41 H new ATOM 0 HD2 LYS B 7 -3.569 -5.246 -12.388 1.00 0.90 H new ATOM 0 HD3 LYS B 7 -3.611 -5.032 -14.127 1.00 0.90 H new ATOM 0 HE2 LYS B 7 -1.153 -5.021 -14.226 1.00 0.84 H new ATOM 0 HE3 LYS B 7 -1.054 -5.108 -12.478 1.00 0.84 H new ATOM 0 HZ1 LYS B 7 -0.768 -7.261 -13.668 1.00 1.18 H new ATOM 0 HZ2 LYS B 7 -1.984 -7.274 -12.483 1.00 1.18 H new ATOM 0 HZ3 LYS B 7 -2.401 -7.181 -14.126 1.00 1.18 H new ATOM 2376 N ALA B 8 -2.597 -2.139 -8.541 1.00 0.17 N ATOM 2377 CA ALA B 8 -1.943 -1.831 -7.269 1.00 0.17 C ATOM 2378 C ALA B 8 -1.973 -3.023 -6.311 1.00 0.17 C ATOM 2379 O ALA B 8 -0.932 -3.438 -5.811 1.00 0.22 O ATOM 2380 CB ALA B 8 -2.582 -0.614 -6.617 1.00 0.18 C ATOM 0 H ALA B 8 -3.263 -1.432 -8.853 1.00 0.17 H new ATOM 0 HA ALA B 8 -0.899 -1.607 -7.487 1.00 0.17 H new ATOM 0 HB1 ALA B 8 -2.081 -0.402 -5.672 1.00 0.18 H new ATOM 0 HB2 ALA B 8 -2.486 0.246 -7.280 1.00 0.18 H new ATOM 0 HB3 ALA B 8 -3.637 -0.813 -6.431 1.00 0.18 H new ATOM 2386 N LEU B 9 -3.155 -3.589 -6.071 1.00 0.13 N ATOM 2387 CA LEU B 9 -3.272 -4.737 -5.171 1.00 0.12 C ATOM 2388 C LEU B 9 -2.725 -5.997 -5.831 1.00 0.14 C ATOM 2389 O LEU B 9 -1.990 -6.767 -5.209 1.00 0.18 O ATOM 2390 CB LEU B 9 -4.723 -4.994 -4.735 1.00 0.13 C ATOM 2391 CG LEU B 9 -5.423 -3.842 -4.014 1.00 0.13 C ATOM 2392 CD1 LEU B 9 -4.484 -3.202 -3.028 1.00 0.15 C ATOM 2393 CD2 LEU B 9 -5.956 -2.804 -4.982 1.00 0.13 C ATOM 0 H LEU B 9 -4.035 -3.277 -6.481 1.00 0.13 H new ATOM 0 HA LEU B 9 -2.686 -4.494 -4.285 1.00 0.12 H new ATOM 0 HB2 LEU B 9 -5.307 -5.250 -5.619 1.00 0.13 H new ATOM 0 HB3 LEU B 9 -4.735 -5.866 -4.081 1.00 0.13 H new ATOM 0 HG LEU B 9 -6.278 -4.259 -3.482 1.00 0.13 H new ATOM 0 HD11 LEU B 9 -4.993 -2.383 -2.520 1.00 0.15 H new ATOM 0 HD12 LEU B 9 -4.167 -3.943 -2.294 1.00 0.15 H new ATOM 0 HD13 LEU B 9 -3.611 -2.816 -3.555 1.00 0.15 H new ATOM 0 HD21 LEU B 9 -6.445 -2.005 -4.425 1.00 0.13 H new ATOM 0 HD22 LEU B 9 -5.131 -2.390 -5.562 1.00 0.13 H new ATOM 0 HD23 LEU B 9 -6.675 -3.270 -5.655 1.00 0.13 H new ATOM 2405 N ASP B 10 -3.092 -6.194 -7.090 1.00 0.14 N ATOM 2406 CA ASP B 10 -2.682 -7.373 -7.851 1.00 0.16 C ATOM 2407 C ASP B 10 -1.166 -7.515 -7.884 1.00 0.15 C ATOM 2408 O ASP B 10 -0.625 -8.577 -7.570 1.00 0.19 O ATOM 2409 CB ASP B 10 -3.236 -7.286 -9.279 1.00 0.20 C ATOM 2410 CG ASP B 10 -2.607 -8.286 -10.232 1.00 0.51 C ATOM 2411 OD1 ASP B 10 -3.059 -9.450 -10.274 1.00 1.19 O ATOM 2412 OD2 ASP B 10 -1.670 -7.903 -10.965 1.00 1.22 O ATOM 0 H ASP B 10 -3.680 -5.546 -7.614 1.00 0.14 H new ATOM 0 HA ASP B 10 -3.088 -8.255 -7.356 1.00 0.16 H new ATOM 0 HB2 ASP B 10 -4.314 -7.448 -9.253 1.00 0.20 H new ATOM 0 HB3 ASP B 10 -3.074 -6.279 -9.663 1.00 0.20 H new ATOM 2417 N VAL B 11 -0.481 -6.440 -8.235 1.00 0.15 N ATOM 2418 CA VAL B 11 0.960 -6.485 -8.416 1.00 0.16 C ATOM 2419 C VAL B 11 1.693 -6.621 -7.092 1.00 0.16 C ATOM 2420 O VAL B 11 2.823 -7.092 -7.070 1.00 0.20 O ATOM 2421 CB VAL B 11 1.492 -5.247 -9.157 1.00 0.18 C ATOM 2422 CG1 VAL B 11 0.734 -5.039 -10.457 1.00 0.21 C ATOM 2423 CG2 VAL B 11 1.421 -4.010 -8.272 1.00 0.17 C ATOM 0 H VAL B 11 -0.900 -5.525 -8.400 1.00 0.15 H new ATOM 0 HA VAL B 11 1.153 -7.369 -9.024 1.00 0.16 H new ATOM 0 HB VAL B 11 2.541 -5.417 -9.401 1.00 0.18 H new ATOM 0 HG11 VAL B 11 1.123 -4.159 -10.968 1.00 0.21 H new ATOM 0 HG12 VAL B 11 0.859 -5.914 -11.095 1.00 0.21 H new ATOM 0 HG13 VAL B 11 -0.325 -4.895 -10.242 1.00 0.21 H new ATOM 0 HG21 VAL B 11 1.803 -3.148 -8.820 1.00 0.17 H new ATOM 0 HG22 VAL B 11 0.386 -3.827 -7.985 1.00 0.17 H new ATOM 0 HG23 VAL B 11 2.023 -4.168 -7.377 1.00 0.17 H new ATOM 2433 N MET B 12 1.059 -6.216 -5.994 1.00 0.16 N ATOM 2434 CA MET B 12 1.679 -6.358 -4.681 1.00 0.20 C ATOM 2435 C MET B 12 2.052 -7.807 -4.442 1.00 0.23 C ATOM 2436 O MET B 12 3.216 -8.121 -4.250 1.00 0.39 O ATOM 2437 CB MET B 12 0.768 -5.881 -3.561 1.00 0.27 C ATOM 2438 CG MET B 12 0.616 -4.374 -3.482 1.00 0.16 C ATOM 2439 SD MET B 12 0.625 -3.783 -1.783 1.00 0.78 S ATOM 2440 CE MET B 12 0.102 -2.102 -2.021 1.00 0.19 C ATOM 0 H MET B 12 0.131 -5.793 -5.987 1.00 0.16 H new ATOM 0 HA MET B 12 2.572 -5.732 -4.675 1.00 0.20 H new ATOM 0 HB2 MET B 12 -0.217 -6.328 -3.694 1.00 0.27 H new ATOM 0 HB3 MET B 12 1.158 -6.246 -2.611 1.00 0.27 H new ATOM 0 HG2 MET B 12 1.426 -3.899 -4.035 1.00 0.16 H new ATOM 0 HG3 MET B 12 -0.316 -4.078 -3.964 1.00 0.16 H new ATOM 0 HE1 MET B 12 0.594 -1.461 -1.290 1.00 0.19 H new ATOM 0 HE2 MET B 12 0.369 -1.777 -3.026 1.00 0.19 H new ATOM 0 HE3 MET B 12 -0.978 -2.036 -1.893 1.00 0.19 H new ATOM 2450 N VAL B 13 1.064 -8.691 -4.506 1.00 0.18 N ATOM 2451 CA VAL B 13 1.296 -10.108 -4.252 1.00 0.19 C ATOM 2452 C VAL B 13 1.949 -10.801 -5.446 1.00 0.19 C ATOM 2453 O VAL B 13 2.697 -11.766 -5.276 1.00 0.25 O ATOM 2454 CB VAL B 13 -0.004 -10.844 -3.864 1.00 0.20 C ATOM 2455 CG1 VAL B 13 -0.470 -10.389 -2.498 1.00 0.21 C ATOM 2456 CG2 VAL B 13 -1.098 -10.624 -4.896 1.00 0.22 C ATOM 0 H VAL B 13 0.098 -8.453 -4.731 1.00 0.18 H new ATOM 0 HA VAL B 13 1.984 -10.157 -3.408 1.00 0.19 H new ATOM 0 HB VAL B 13 0.211 -11.912 -3.832 1.00 0.20 H new ATOM 0 HG11 VAL B 13 -1.388 -10.914 -2.233 1.00 0.21 H new ATOM 0 HG12 VAL B 13 0.300 -10.609 -1.759 1.00 0.21 H new ATOM 0 HG13 VAL B 13 -0.658 -9.316 -2.517 1.00 0.21 H new ATOM 0 HG21 VAL B 13 -1.999 -11.157 -4.591 1.00 0.22 H new ATOM 0 HG22 VAL B 13 -1.315 -9.559 -4.974 1.00 0.22 H new ATOM 0 HG23 VAL B 13 -0.766 -10.999 -5.864 1.00 0.22 H new ATOM 2466 N SER B 14 1.688 -10.300 -6.646 1.00 0.18 N ATOM 2467 CA SER B 14 2.282 -10.869 -7.848 1.00 0.21 C ATOM 2468 C SER B 14 3.788 -10.619 -7.875 1.00 0.23 C ATOM 2469 O SER B 14 4.574 -11.551 -8.050 1.00 0.26 O ATOM 2470 CB SER B 14 1.622 -10.284 -9.098 1.00 0.23 C ATOM 2471 OG SER B 14 0.230 -10.556 -9.102 1.00 1.12 O ATOM 0 H SER B 14 1.072 -9.504 -6.813 1.00 0.18 H new ATOM 0 HA SER B 14 2.113 -11.946 -7.837 1.00 0.21 H new ATOM 0 HB2 SER B 14 1.788 -9.207 -9.133 1.00 0.23 H new ATOM 0 HB3 SER B 14 2.083 -10.707 -9.991 1.00 0.23 H new ATOM 0 HG SER B 14 -0.255 -9.785 -8.740 1.00 1.12 H new ATOM 2477 N THR B 15 4.183 -9.367 -7.674 1.00 0.24 N ATOM 2478 CA THR B 15 5.592 -8.997 -7.648 1.00 0.26 C ATOM 2479 C THR B 15 6.236 -9.502 -6.356 1.00 0.28 C ATOM 2480 O THR B 15 7.429 -9.805 -6.314 1.00 0.31 O ATOM 2481 CB THR B 15 5.756 -7.468 -7.760 1.00 0.27 C ATOM 2482 OG1 THR B 15 4.865 -6.964 -8.763 1.00 0.33 O ATOM 2483 CG2 THR B 15 7.184 -7.087 -8.119 1.00 0.25 C ATOM 0 H THR B 15 3.542 -8.587 -7.526 1.00 0.24 H new ATOM 0 HA THR B 15 6.089 -9.458 -8.501 1.00 0.26 H new ATOM 0 HB THR B 15 5.519 -7.030 -6.790 1.00 0.27 H new ATOM 0 HG1 THR B 15 3.982 -6.810 -8.368 1.00 0.33 H new ATOM 0 HG21 THR B 15 7.264 -6.002 -8.190 1.00 0.25 H new ATOM 0 HG22 THR B 15 7.863 -7.451 -7.348 1.00 0.25 H new ATOM 0 HG23 THR B 15 7.450 -7.534 -9.077 1.00 0.25 H new ATOM 2491 N PHE B 16 5.418 -9.594 -5.311 1.00 0.30 N ATOM 2492 CA PHE B 16 5.821 -10.178 -4.035 1.00 0.36 C ATOM 2493 C PHE B 16 6.457 -11.544 -4.247 1.00 0.40 C ATOM 2494 O PHE B 16 7.648 -11.719 -4.014 1.00 0.51 O ATOM 2495 CB PHE B 16 4.592 -10.302 -3.131 1.00 0.44 C ATOM 2496 CG PHE B 16 4.832 -10.922 -1.790 1.00 0.34 C ATOM 2497 CD1 PHE B 16 5.567 -10.260 -0.828 1.00 1.21 C ATOM 2498 CD2 PHE B 16 4.293 -12.158 -1.485 1.00 1.27 C ATOM 2499 CE1 PHE B 16 5.769 -10.820 0.416 1.00 1.38 C ATOM 2500 CE2 PHE B 16 4.487 -12.722 -0.243 1.00 1.42 C ATOM 2501 CZ PHE B 16 5.226 -12.051 0.709 1.00 0.97 C ATOM 0 H PHE B 16 4.453 -9.264 -5.326 1.00 0.30 H new ATOM 0 HA PHE B 16 6.560 -9.531 -3.562 1.00 0.36 H new ATOM 0 HB2 PHE B 16 4.172 -9.307 -2.981 1.00 0.44 H new ATOM 0 HB3 PHE B 16 3.838 -10.891 -3.653 1.00 0.44 H new ATOM 0 HD1 PHE B 16 5.989 -9.292 -1.052 1.00 1.21 H new ATOM 0 HD2 PHE B 16 3.714 -12.687 -2.228 1.00 1.27 H new ATOM 0 HE1 PHE B 16 6.351 -10.295 1.158 1.00 1.38 H new ATOM 0 HE2 PHE B 16 4.061 -13.688 -0.015 1.00 1.42 H new ATOM 0 HZ PHE B 16 5.379 -12.491 1.684 1.00 0.97 H new ATOM 2511 N HIS B 17 5.660 -12.493 -4.730 1.00 0.41 N ATOM 2512 CA HIS B 17 6.133 -13.861 -4.943 1.00 0.51 C ATOM 2513 C HIS B 17 7.175 -13.904 -6.059 1.00 0.45 C ATOM 2514 O HIS B 17 8.002 -14.813 -6.118 1.00 0.51 O ATOM 2515 CB HIS B 17 4.965 -14.795 -5.286 1.00 0.68 C ATOM 2516 CG HIS B 17 3.949 -14.940 -4.192 1.00 1.09 C ATOM 2517 ND1 HIS B 17 4.260 -15.391 -2.928 1.00 2.16 N ATOM 2518 CD2 HIS B 17 2.618 -14.691 -4.181 1.00 1.26 C ATOM 2519 CE1 HIS B 17 3.166 -15.417 -2.189 1.00 2.82 C ATOM 2520 NE2 HIS B 17 2.156 -14.994 -2.924 1.00 2.30 N ATOM 0 H HIS B 17 4.683 -12.342 -4.982 1.00 0.41 H new ATOM 0 HA HIS B 17 6.594 -14.203 -4.016 1.00 0.51 H new ATOM 0 HB2 HIS B 17 4.467 -14.422 -6.181 1.00 0.68 H new ATOM 0 HB3 HIS B 17 5.362 -15.780 -5.530 1.00 0.68 H new ATOM 0 HD2 HIS B 17 2.029 -14.322 -5.008 1.00 1.26 H new ATOM 0 HE1 HIS B 17 3.108 -15.731 -1.157 1.00 2.82 H new ATOM 0 HE2 HIS B 17 1.190 -14.906 -2.610 1.00 2.30 H new ATOM 2529 N LYS B 18 7.128 -12.896 -6.919 1.00 0.42 N ATOM 2530 CA LYS B 18 8.009 -12.797 -8.076 1.00 0.46 C ATOM 2531 C LYS B 18 9.477 -12.620 -7.660 1.00 0.45 C ATOM 2532 O LYS B 18 10.370 -13.218 -8.261 1.00 0.62 O ATOM 2533 CB LYS B 18 7.542 -11.623 -8.945 1.00 0.55 C ATOM 2534 CG LYS B 18 8.369 -11.357 -10.191 1.00 0.76 C ATOM 2535 CD LYS B 18 7.819 -10.157 -10.953 1.00 0.71 C ATOM 2536 CE LYS B 18 8.715 -9.757 -12.114 1.00 1.40 C ATOM 2537 NZ LYS B 18 8.228 -8.528 -12.802 1.00 1.67 N ATOM 0 H LYS B 18 6.473 -12.118 -6.834 1.00 0.42 H new ATOM 0 HA LYS B 18 7.956 -13.725 -8.645 1.00 0.46 H new ATOM 0 HB2 LYS B 18 6.511 -11.806 -9.248 1.00 0.55 H new ATOM 0 HB3 LYS B 18 7.539 -10.721 -8.334 1.00 0.55 H new ATOM 0 HG2 LYS B 18 9.407 -11.174 -9.913 1.00 0.76 H new ATOM 0 HG3 LYS B 18 8.362 -12.237 -10.834 1.00 0.76 H new ATOM 0 HD2 LYS B 18 6.823 -10.392 -11.329 1.00 0.71 H new ATOM 0 HD3 LYS B 18 7.712 -9.313 -10.271 1.00 0.71 H new ATOM 0 HE2 LYS B 18 9.728 -9.590 -11.748 1.00 1.40 H new ATOM 0 HE3 LYS B 18 8.766 -10.577 -12.831 1.00 1.40 H new ATOM 0 HZ1 LYS B 18 8.988 -8.138 -13.395 1.00 1.67 H new ATOM 0 HZ2 LYS B 18 7.410 -8.765 -13.399 1.00 1.67 H new ATOM 0 HZ3 LYS B 18 7.946 -7.822 -12.093 1.00 1.67 H new ATOM 2551 N TYR B 19 9.726 -11.812 -6.633 1.00 0.39 N ATOM 2552 CA TYR B 19 11.100 -11.509 -6.227 1.00 0.43 C ATOM 2553 C TYR B 19 11.470 -12.129 -4.884 1.00 0.50 C ATOM 2554 O TYR B 19 12.629 -12.079 -4.491 1.00 0.74 O ATOM 2555 CB TYR B 19 11.327 -9.996 -6.178 1.00 0.46 C ATOM 2556 CG TYR B 19 11.347 -9.356 -7.543 1.00 0.41 C ATOM 2557 CD1 TYR B 19 12.522 -9.284 -8.277 1.00 1.17 C ATOM 2558 CD2 TYR B 19 10.190 -8.845 -8.105 1.00 1.17 C ATOM 2559 CE1 TYR B 19 12.539 -8.721 -9.538 1.00 1.21 C ATOM 2560 CE2 TYR B 19 10.199 -8.275 -9.360 1.00 1.17 C ATOM 2561 CZ TYR B 19 11.372 -8.216 -10.072 1.00 0.50 C ATOM 2562 OH TYR B 19 11.374 -7.673 -11.335 1.00 0.61 O ATOM 0 H TYR B 19 9.006 -11.359 -6.071 1.00 0.39 H new ATOM 0 HA TYR B 19 11.749 -11.954 -6.981 1.00 0.43 H new ATOM 0 HB2 TYR B 19 10.541 -9.536 -5.579 1.00 0.46 H new ATOM 0 HB3 TYR B 19 12.272 -9.793 -5.674 1.00 0.46 H new ATOM 0 HD1 TYR B 19 13.437 -9.674 -7.856 1.00 1.17 H new ATOM 0 HD2 TYR B 19 9.264 -8.894 -7.551 1.00 1.17 H new ATOM 0 HE1 TYR B 19 13.459 -8.677 -10.102 1.00 1.21 H new ATOM 0 HE2 TYR B 19 9.288 -7.877 -9.781 1.00 1.17 H new ATOM 0 HH TYR B 19 10.755 -6.914 -11.366 1.00 0.61 H new ATOM 2572 N SER B 20 10.501 -12.695 -4.175 1.00 0.41 N ATOM 2573 CA SER B 20 10.801 -13.370 -2.916 1.00 0.48 C ATOM 2574 C SER B 20 11.130 -14.836 -3.170 1.00 0.57 C ATOM 2575 O SER B 20 12.157 -15.343 -2.711 1.00 0.70 O ATOM 2576 CB SER B 20 9.632 -13.241 -1.941 1.00 0.49 C ATOM 2577 OG SER B 20 8.418 -13.652 -2.542 1.00 0.53 O ATOM 0 H SER B 20 9.517 -12.702 -4.443 1.00 0.41 H new ATOM 0 HA SER B 20 11.671 -12.892 -2.466 1.00 0.48 H new ATOM 0 HB2 SER B 20 9.825 -13.846 -1.055 1.00 0.49 H new ATOM 0 HB3 SER B 20 9.545 -12.207 -1.608 1.00 0.49 H new ATOM 0 HG SER B 20 8.031 -12.904 -3.043 1.00 0.53 H new ATOM 2583 N GLY B 21 10.256 -15.510 -3.916 1.00 0.57 N ATOM 2584 CA GLY B 21 10.514 -16.882 -4.311 1.00 0.68 C ATOM 2585 C GLY B 21 11.550 -16.944 -5.410 1.00 0.71 C ATOM 2586 O GLY B 21 11.281 -17.416 -6.517 1.00 0.86 O ATOM 0 H GLY B 21 9.373 -15.127 -4.253 1.00 0.57 H new ATOM 0 HA2 GLY B 21 10.858 -17.454 -3.449 1.00 0.68 H new ATOM 0 HA3 GLY B 21 9.589 -17.346 -4.652 1.00 0.68 H new ATOM 2688 N LYS B 28 8.977 -14.350 1.548 1.00 0.69 N ATOM 2689 CA LYS B 28 9.903 -13.611 2.376 1.00 0.68 C ATOM 2690 C LYS B 28 10.983 -12.965 1.523 1.00 0.50 C ATOM 2691 O LYS B 28 11.749 -13.653 0.850 1.00 0.54 O ATOM 2692 CB LYS B 28 10.534 -14.540 3.412 1.00 0.92 C ATOM 2693 CG LYS B 28 11.255 -13.809 4.528 1.00 0.93 C ATOM 2694 CD LYS B 28 10.289 -13.217 5.549 1.00 0.98 C ATOM 2695 CE LYS B 28 9.737 -14.279 6.492 1.00 1.51 C ATOM 2696 NZ LYS B 28 8.675 -15.112 5.865 1.00 1.98 N ATOM 0 HA LYS B 28 9.355 -12.823 2.893 1.00 0.68 H new ATOM 0 HB2 LYS B 28 9.756 -15.169 3.845 1.00 0.92 H new ATOM 0 HB3 LYS B 28 11.238 -15.204 2.910 1.00 0.92 H new ATOM 0 HG2 LYS B 28 11.935 -14.497 5.030 1.00 0.93 H new ATOM 0 HG3 LYS B 28 11.865 -13.012 4.103 1.00 0.93 H new ATOM 0 HD2 LYS B 28 10.800 -12.448 6.128 1.00 0.98 H new ATOM 0 HD3 LYS B 28 9.464 -12.730 5.029 1.00 0.98 H new ATOM 0 HE2 LYS B 28 10.551 -14.924 6.821 1.00 1.51 H new ATOM 0 HE3 LYS B 28 9.334 -13.795 7.382 1.00 1.51 H new ATOM 0 HZ1 LYS B 28 7.776 -14.962 6.365 1.00 1.98 H new ATOM 0 HZ2 LYS B 28 8.566 -14.841 4.867 1.00 1.98 H new ATOM 0 HZ3 LYS B 28 8.941 -16.116 5.924 1.00 1.98 H new ATOM 2710 N LEU B 29 11.039 -11.643 1.559 1.00 0.38 N ATOM 2711 CA LEU B 29 12.062 -10.910 0.833 1.00 0.32 C ATOM 2712 C LEU B 29 13.138 -10.422 1.785 1.00 0.33 C ATOM 2713 O LEU B 29 12.853 -9.683 2.727 1.00 0.42 O ATOM 2714 CB LEU B 29 11.482 -9.700 0.087 1.00 0.29 C ATOM 2715 CG LEU B 29 10.551 -10.012 -1.086 1.00 0.29 C ATOM 2716 CD1 LEU B 29 9.116 -10.132 -0.615 1.00 0.34 C ATOM 2717 CD2 LEU B 29 10.672 -8.943 -2.161 1.00 0.31 C ATOM 0 H LEU B 29 10.389 -11.057 2.083 1.00 0.38 H new ATOM 0 HA LEU B 29 12.486 -11.599 0.103 1.00 0.32 H new ATOM 0 HB2 LEU B 29 10.937 -9.085 0.803 1.00 0.29 H new ATOM 0 HB3 LEU B 29 12.311 -9.097 -0.284 1.00 0.29 H new ATOM 0 HG LEU B 29 10.850 -10.968 -1.515 1.00 0.29 H new ATOM 0 HD11 LEU B 29 8.471 -10.354 -1.465 1.00 0.34 H new ATOM 0 HD12 LEU B 29 9.040 -10.935 0.118 1.00 0.34 H new ATOM 0 HD13 LEU B 29 8.803 -9.193 -0.158 1.00 0.34 H new ATOM 0 HD21 LEU B 29 10.003 -9.181 -2.988 1.00 0.31 H new ATOM 0 HD22 LEU B 29 10.401 -7.974 -1.742 1.00 0.31 H new ATOM 0 HD23 LEU B 29 11.699 -8.907 -2.524 1.00 0.31 H new ATOM 2729 N ASN B 30 14.368 -10.841 1.552 1.00 0.31 N ATOM 2730 CA ASN B 30 15.490 -10.314 2.310 1.00 0.31 C ATOM 2731 C ASN B 30 16.017 -9.069 1.601 1.00 0.27 C ATOM 2732 O ASN B 30 15.402 -8.597 0.642 1.00 0.26 O ATOM 2733 CB ASN B 30 16.598 -11.369 2.481 1.00 0.35 C ATOM 2734 CG ASN B 30 17.566 -11.427 1.312 1.00 0.58 C ATOM 2735 OD1 ASN B 30 18.584 -10.734 1.307 1.00 1.17 O ATOM 2736 ND2 ASN B 30 17.282 -12.261 0.332 1.00 0.60 N ATOM 0 H ASN B 30 14.616 -11.539 0.850 1.00 0.31 H new ATOM 0 HA ASN B 30 15.155 -10.048 3.312 1.00 0.31 H new ATOM 0 HB2 ASN B 30 17.155 -11.155 3.393 1.00 0.35 H new ATOM 0 HB3 ASN B 30 16.139 -12.349 2.611 1.00 0.35 H new ATOM 0 HD21 ASN B 30 17.915 -12.348 -0.463 1.00 0.60 H new ATOM 0 HD22 ASN B 30 16.430 -12.820 0.369 1.00 0.60 H new ATOM 2743 N LYS B 31 17.138 -8.539 2.081 1.00 0.27 N ATOM 2744 CA LYS B 31 17.749 -7.343 1.506 1.00 0.26 C ATOM 2745 C LYS B 31 17.837 -7.424 -0.023 1.00 0.25 C ATOM 2746 O LYS B 31 17.369 -6.533 -0.731 1.00 0.28 O ATOM 2747 CB LYS B 31 19.160 -7.150 2.066 1.00 0.29 C ATOM 2748 CG LYS B 31 19.223 -7.076 3.578 1.00 0.40 C ATOM 2749 CD LYS B 31 20.658 -6.968 4.066 1.00 0.49 C ATOM 2750 CE LYS B 31 20.730 -6.912 5.582 1.00 1.20 C ATOM 2751 NZ LYS B 31 22.131 -6.957 6.075 1.00 1.72 N ATOM 0 H LYS B 31 17.648 -8.924 2.876 1.00 0.27 H new ATOM 0 HA LYS B 31 17.114 -6.499 1.775 1.00 0.26 H new ATOM 0 HB2 LYS B 31 19.789 -7.973 1.727 1.00 0.29 H new ATOM 0 HB3 LYS B 31 19.582 -6.235 1.651 1.00 0.29 H new ATOM 0 HG2 LYS B 31 18.652 -6.215 3.926 1.00 0.40 H new ATOM 0 HG3 LYS B 31 18.756 -7.962 4.007 1.00 0.40 H new ATOM 0 HD2 LYS B 31 21.231 -7.822 3.705 1.00 0.49 H new ATOM 0 HD3 LYS B 31 21.120 -6.074 3.646 1.00 0.49 H new ATOM 0 HE2 LYS B 31 20.251 -5.998 5.934 1.00 1.20 H new ATOM 0 HE3 LYS B 31 20.171 -7.748 6.003 1.00 1.20 H new ATOM 0 HZ1 LYS B 31 22.135 -6.917 7.114 1.00 1.72 H new ATOM 0 HZ2 LYS B 31 22.581 -7.840 5.761 1.00 1.72 H new ATOM 0 HZ3 LYS B 31 22.659 -6.146 5.695 1.00 1.72 H new ATOM 2765 N SER B 32 18.421 -8.504 -0.522 1.00 0.25 N ATOM 2766 CA SER B 32 18.682 -8.651 -1.949 1.00 0.27 C ATOM 2767 C SER B 32 17.388 -8.803 -2.750 1.00 0.24 C ATOM 2768 O SER B 32 17.297 -8.351 -3.894 1.00 0.27 O ATOM 2769 CB SER B 32 19.592 -9.853 -2.176 1.00 0.35 C ATOM 2770 OG SER B 32 19.083 -10.997 -1.512 1.00 1.27 O ATOM 0 H SER B 32 18.725 -9.297 0.043 1.00 0.25 H new ATOM 0 HA SER B 32 19.175 -7.745 -2.301 1.00 0.27 H new ATOM 0 HB2 SER B 32 19.678 -10.054 -3.244 1.00 0.35 H new ATOM 0 HB3 SER B 32 20.595 -9.631 -1.812 1.00 0.35 H new ATOM 0 HG SER B 32 19.679 -11.759 -1.670 1.00 1.27 H new ATOM 2776 N GLU B 33 16.389 -9.426 -2.140 1.00 0.25 N ATOM 2777 CA GLU B 33 15.117 -9.666 -2.810 1.00 0.27 C ATOM 2778 C GLU B 33 14.373 -8.361 -2.990 1.00 0.24 C ATOM 2779 O GLU B 33 13.851 -8.067 -4.067 1.00 0.26 O ATOM 2780 CB GLU B 33 14.266 -10.642 -2.002 1.00 0.34 C ATOM 2781 CG GLU B 33 14.947 -11.972 -1.749 1.00 0.47 C ATOM 2782 CD GLU B 33 15.300 -12.699 -3.028 1.00 0.83 C ATOM 2783 OE1 GLU B 33 16.202 -12.230 -3.760 1.00 1.43 O ATOM 2784 OE2 GLU B 33 14.693 -13.753 -3.295 1.00 1.65 O ATOM 0 H GLU B 33 16.434 -9.775 -1.182 1.00 0.25 H new ATOM 0 HA GLU B 33 15.316 -10.102 -3.789 1.00 0.27 H new ATOM 0 HB2 GLU B 33 14.013 -10.185 -1.045 1.00 0.34 H new ATOM 0 HB3 GLU B 33 13.329 -10.817 -2.530 1.00 0.34 H new ATOM 0 HG2 GLU B 33 15.854 -11.806 -1.168 1.00 0.47 H new ATOM 0 HG3 GLU B 33 14.293 -12.602 -1.146 1.00 0.47 H new ATOM 2791 N LEU B 34 14.344 -7.575 -1.926 1.00 0.21 N ATOM 2792 CA LEU B 34 13.715 -6.272 -1.966 1.00 0.21 C ATOM 2793 C LEU B 34 14.455 -5.344 -2.910 1.00 0.20 C ATOM 2794 O LEU B 34 13.834 -4.573 -3.635 1.00 0.24 O ATOM 2795 CB LEU B 34 13.648 -5.665 -0.567 1.00 0.21 C ATOM 2796 CG LEU B 34 12.387 -6.006 0.220 1.00 0.21 C ATOM 2797 CD1 LEU B 34 12.522 -5.552 1.662 1.00 0.24 C ATOM 2798 CD2 LEU B 34 11.181 -5.356 -0.436 1.00 0.21 C ATOM 0 H LEU B 34 14.751 -7.821 -1.023 1.00 0.21 H new ATOM 0 HA LEU B 34 12.698 -6.399 -2.338 1.00 0.21 H new ATOM 0 HB2 LEU B 34 14.515 -6.001 0.001 1.00 0.21 H new ATOM 0 HB3 LEU B 34 13.723 -4.581 -0.653 1.00 0.21 H new ATOM 0 HG LEU B 34 12.248 -7.087 0.218 1.00 0.21 H new ATOM 0 HD11 LEU B 34 11.613 -5.803 2.209 1.00 0.24 H new ATOM 0 HD12 LEU B 34 13.373 -6.053 2.123 1.00 0.24 H new ATOM 0 HD13 LEU B 34 12.676 -4.473 1.691 1.00 0.24 H new ATOM 0 HD21 LEU B 34 10.282 -5.602 0.130 1.00 0.21 H new ATOM 0 HD22 LEU B 34 11.315 -4.274 -0.452 1.00 0.21 H new ATOM 0 HD23 LEU B 34 11.080 -5.724 -1.457 1.00 0.21 H new ATOM 2810 N LYS B 35 15.780 -5.422 -2.917 1.00 0.21 N ATOM 2811 CA LYS B 35 16.557 -4.576 -3.801 1.00 0.26 C ATOM 2812 C LYS B 35 16.182 -4.846 -5.245 1.00 0.22 C ATOM 2813 O LYS B 35 15.842 -3.921 -5.968 1.00 0.24 O ATOM 2814 CB LYS B 35 18.063 -4.748 -3.600 1.00 0.37 C ATOM 2815 CG LYS B 35 18.848 -3.569 -4.160 1.00 0.54 C ATOM 2816 CD LYS B 35 20.327 -3.646 -3.836 1.00 0.68 C ATOM 2817 CE LYS B 35 21.012 -4.736 -4.632 1.00 0.61 C ATOM 2818 NZ LYS B 35 22.487 -4.688 -4.480 1.00 0.95 N ATOM 0 H LYS B 35 16.327 -6.052 -2.330 1.00 0.21 H new ATOM 0 HA LYS B 35 16.319 -3.542 -3.551 1.00 0.26 H new ATOM 0 HB2 LYS B 35 18.278 -4.855 -2.537 1.00 0.37 H new ATOM 0 HB3 LYS B 35 18.392 -5.667 -4.086 1.00 0.37 H new ATOM 0 HG2 LYS B 35 18.718 -3.532 -5.242 1.00 0.54 H new ATOM 0 HG3 LYS B 35 18.440 -2.642 -3.758 1.00 0.54 H new ATOM 0 HD2 LYS B 35 20.798 -2.687 -4.050 1.00 0.68 H new ATOM 0 HD3 LYS B 35 20.458 -3.835 -2.770 1.00 0.68 H new ATOM 0 HE2 LYS B 35 20.645 -5.709 -4.306 1.00 0.61 H new ATOM 0 HE3 LYS B 35 20.752 -4.634 -5.686 1.00 0.61 H new ATOM 0 HZ1 LYS B 35 22.856 -5.654 -4.371 1.00 0.95 H new ATOM 0 HZ2 LYS B 35 22.909 -4.249 -5.323 1.00 0.95 H new ATOM 0 HZ3 LYS B 35 22.731 -4.127 -3.639 1.00 0.95 H new ATOM 2832 N GLU B 36 16.200 -6.111 -5.657 1.00 0.22 N ATOM 2833 CA GLU B 36 15.798 -6.457 -7.012 1.00 0.24 C ATOM 2834 C GLU B 36 14.381 -5.977 -7.290 1.00 0.25 C ATOM 2835 O GLU B 36 14.107 -5.429 -8.356 1.00 0.32 O ATOM 2836 CB GLU B 36 15.891 -7.956 -7.262 1.00 0.28 C ATOM 2837 CG GLU B 36 17.034 -8.335 -8.186 1.00 0.65 C ATOM 2838 CD GLU B 36 17.056 -9.811 -8.512 1.00 0.77 C ATOM 2839 OE1 GLU B 36 16.402 -10.217 -9.494 1.00 1.30 O ATOM 2840 OE2 GLU B 36 17.724 -10.573 -7.785 1.00 1.48 O ATOM 0 H GLU B 36 16.485 -6.902 -5.079 1.00 0.22 H new ATOM 0 HA GLU B 36 16.488 -5.956 -7.691 1.00 0.24 H new ATOM 0 HB2 GLU B 36 16.016 -8.470 -6.309 1.00 0.28 H new ATOM 0 HB3 GLU B 36 14.952 -8.306 -7.692 1.00 0.28 H new ATOM 0 HG2 GLU B 36 16.953 -7.764 -9.111 1.00 0.65 H new ATOM 0 HG3 GLU B 36 17.979 -8.056 -7.721 1.00 0.65 H new ATOM 2847 N LEU B 37 13.498 -6.170 -6.315 1.00 0.23 N ATOM 2848 CA LEU B 37 12.124 -5.684 -6.396 1.00 0.26 C ATOM 2849 C LEU B 37 12.107 -4.212 -6.800 1.00 0.22 C ATOM 2850 O LEU B 37 11.549 -3.836 -7.835 1.00 0.22 O ATOM 2851 CB LEU B 37 11.446 -5.834 -5.033 1.00 0.32 C ATOM 2852 CG LEU B 37 9.929 -5.665 -5.018 1.00 0.41 C ATOM 2853 CD1 LEU B 37 9.245 -6.994 -5.286 1.00 0.34 C ATOM 2854 CD2 LEU B 37 9.472 -5.084 -3.690 1.00 0.74 C ATOM 0 H LEU B 37 13.713 -6.666 -5.450 1.00 0.23 H new ATOM 0 HA LEU B 37 11.590 -6.269 -7.144 1.00 0.26 H new ATOM 0 HB2 LEU B 37 11.686 -6.821 -4.637 1.00 0.32 H new ATOM 0 HB3 LEU B 37 11.880 -5.103 -4.351 1.00 0.32 H new ATOM 0 HG LEU B 37 9.650 -4.970 -5.810 1.00 0.41 H new ATOM 0 HD11 LEU B 37 8.164 -6.856 -5.272 1.00 0.34 H new ATOM 0 HD12 LEU B 37 9.550 -7.370 -6.263 1.00 0.34 H new ATOM 0 HD13 LEU B 37 9.529 -7.711 -4.516 1.00 0.34 H new ATOM 0 HD21 LEU B 37 8.388 -4.970 -3.696 1.00 0.74 H new ATOM 0 HD22 LEU B 37 9.762 -5.754 -2.881 1.00 0.74 H new ATOM 0 HD23 LEU B 37 9.938 -4.110 -3.539 1.00 0.74 H new ATOM 2866 N LEU B 38 12.757 -3.392 -5.983 1.00 0.19 N ATOM 2867 CA LEU B 38 12.783 -1.954 -6.192 1.00 0.19 C ATOM 2868 C LEU B 38 13.605 -1.568 -7.428 1.00 0.19 C ATOM 2869 O LEU B 38 13.212 -0.688 -8.173 1.00 0.21 O ATOM 2870 CB LEU B 38 13.310 -1.242 -4.941 1.00 0.19 C ATOM 2871 CG LEU B 38 12.309 -1.131 -3.782 1.00 0.19 C ATOM 2872 CD1 LEU B 38 12.726 -2.004 -2.611 1.00 0.20 C ATOM 2873 CD2 LEU B 38 12.171 0.315 -3.337 1.00 0.20 C ATOM 0 H LEU B 38 13.277 -3.705 -5.163 1.00 0.19 H new ATOM 0 HA LEU B 38 11.759 -1.629 -6.375 1.00 0.19 H new ATOM 0 HB2 LEU B 38 14.195 -1.771 -4.587 1.00 0.19 H new ATOM 0 HB3 LEU B 38 13.630 -0.238 -5.221 1.00 0.19 H new ATOM 0 HG LEU B 38 11.342 -1.484 -4.140 1.00 0.19 H new ATOM 0 HD11 LEU B 38 11.998 -1.905 -1.806 1.00 0.20 H new ATOM 0 HD12 LEU B 38 12.773 -3.045 -2.932 1.00 0.20 H new ATOM 0 HD13 LEU B 38 13.707 -1.690 -2.254 1.00 0.20 H new ATOM 0 HD21 LEU B 38 11.458 0.376 -2.515 1.00 0.20 H new ATOM 0 HD22 LEU B 38 13.140 0.688 -3.005 1.00 0.20 H new ATOM 0 HD23 LEU B 38 11.816 0.920 -4.171 1.00 0.20 H new ATOM 2885 N THR B 39 14.724 -2.238 -7.666 1.00 0.20 N ATOM 2886 CA THR B 39 15.571 -1.909 -8.817 1.00 0.22 C ATOM 2887 C THR B 39 14.830 -2.117 -10.131 1.00 0.23 C ATOM 2888 O THR B 39 15.091 -1.439 -11.125 1.00 0.27 O ATOM 2889 CB THR B 39 16.863 -2.749 -8.855 1.00 0.25 C ATOM 2890 OG1 THR B 39 16.558 -4.151 -8.874 1.00 0.30 O ATOM 2891 CG2 THR B 39 17.745 -2.450 -7.666 1.00 0.27 C ATOM 0 H THR B 39 15.068 -3.005 -7.088 1.00 0.20 H new ATOM 0 HA THR B 39 15.833 -0.858 -8.698 1.00 0.22 H new ATOM 0 HB THR B 39 17.396 -2.482 -9.767 1.00 0.25 H new ATOM 0 HG1 THR B 39 15.597 -4.279 -8.728 1.00 0.30 H new ATOM 0 HG21 THR B 39 18.648 -3.058 -7.721 1.00 0.27 H new ATOM 0 HG22 THR B 39 18.017 -1.394 -7.671 1.00 0.27 H new ATOM 0 HG23 THR B 39 17.207 -2.682 -6.747 1.00 0.27 H new ATOM 2899 N ARG B 40 13.897 -3.054 -10.124 1.00 0.24 N ATOM 2900 CA ARG B 40 13.195 -3.437 -11.328 1.00 0.27 C ATOM 2901 C ARG B 40 11.939 -2.601 -11.542 1.00 0.27 C ATOM 2902 O ARG B 40 11.861 -1.832 -12.499 1.00 0.30 O ATOM 2903 CB ARG B 40 12.842 -4.919 -11.264 1.00 0.31 C ATOM 2904 CG ARG B 40 14.038 -5.841 -11.431 1.00 0.34 C ATOM 2905 CD ARG B 40 14.703 -5.643 -12.779 1.00 0.44 C ATOM 2906 NE ARG B 40 13.748 -5.783 -13.877 1.00 0.64 N ATOM 2907 CZ ARG B 40 14.050 -5.633 -15.164 1.00 0.87 C ATOM 2908 NH1 ARG B 40 15.298 -5.379 -15.538 1.00 1.22 N ATOM 2909 NH2 ARG B 40 13.095 -5.747 -16.076 1.00 1.06 N ATOM 0 H ARG B 40 13.610 -3.564 -9.289 1.00 0.24 H new ATOM 0 HA ARG B 40 13.854 -3.254 -12.177 1.00 0.27 H new ATOM 0 HB2 ARG B 40 12.364 -5.128 -10.307 1.00 0.31 H new ATOM 0 HB3 ARG B 40 12.111 -5.143 -12.041 1.00 0.31 H new ATOM 0 HG2 ARG B 40 14.759 -5.652 -10.636 1.00 0.34 H new ATOM 0 HG3 ARG B 40 13.717 -6.878 -11.330 1.00 0.34 H new ATOM 0 HD2 ARG B 40 15.160 -4.654 -12.818 1.00 0.44 H new ATOM 0 HD3 ARG B 40 15.506 -6.370 -12.899 1.00 0.44 H new ATOM 0 HE ARG B 40 12.783 -6.012 -13.640 1.00 0.64 H new ATOM 0 HH11 ARG B 40 16.034 -5.297 -14.837 1.00 1.22 H new ATOM 0 HH12 ARG B 40 15.521 -5.265 -16.527 1.00 1.22 H new ATOM 0 HH21 ARG B 40 12.137 -5.948 -15.789 1.00 1.06 H new ATOM 0 HH22 ARG B 40 13.318 -5.633 -17.065 1.00 1.06 H new ATOM 2923 N GLU B 41 10.965 -2.742 -10.654 1.00 0.27 N ATOM 2924 CA GLU B 41 9.683 -2.074 -10.836 1.00 0.30 C ATOM 2925 C GLU B 41 9.539 -0.806 -9.996 1.00 0.34 C ATOM 2926 O GLU B 41 8.567 -0.077 -10.156 1.00 0.46 O ATOM 2927 CB GLU B 41 8.513 -3.027 -10.574 1.00 0.36 C ATOM 2928 CG GLU B 41 8.144 -3.869 -11.789 1.00 0.45 C ATOM 2929 CD GLU B 41 8.564 -5.325 -11.654 1.00 0.83 C ATOM 2930 OE1 GLU B 41 9.780 -5.600 -11.679 1.00 1.54 O ATOM 2931 OE2 GLU B 41 7.683 -6.200 -11.552 1.00 1.59 O ATOM 0 H GLU B 41 11.036 -3.307 -9.808 1.00 0.27 H new ATOM 0 HA GLU B 41 9.656 -1.764 -11.881 1.00 0.30 H new ATOM 0 HB2 GLU B 41 8.769 -3.688 -9.746 1.00 0.36 H new ATOM 0 HB3 GLU B 41 7.643 -2.448 -10.263 1.00 0.36 H new ATOM 0 HG2 GLU B 41 7.066 -3.821 -11.944 1.00 0.45 H new ATOM 0 HG3 GLU B 41 8.613 -3.442 -12.676 1.00 0.45 H new ATOM 2938 N LEU B 42 10.479 -0.531 -9.096 1.00 0.27 N ATOM 2939 CA LEU B 42 10.413 0.704 -8.303 1.00 0.28 C ATOM 2940 C LEU B 42 11.658 1.592 -8.476 1.00 0.27 C ATOM 2941 O LEU B 42 12.117 2.180 -7.497 1.00 0.26 O ATOM 2942 CB LEU B 42 10.263 0.391 -6.807 1.00 0.27 C ATOM 2943 CG LEU B 42 9.015 -0.385 -6.391 1.00 0.27 C ATOM 2944 CD1 LEU B 42 9.222 -1.875 -6.570 1.00 0.26 C ATOM 2945 CD2 LEU B 42 8.652 -0.067 -4.950 1.00 0.32 C ATOM 0 H LEU B 42 11.281 -1.129 -8.896 1.00 0.27 H new ATOM 0 HA LEU B 42 9.541 1.243 -8.674 1.00 0.28 H new ATOM 0 HB2 LEU B 42 11.138 -0.175 -6.488 1.00 0.27 H new ATOM 0 HB3 LEU B 42 10.276 1.333 -6.259 1.00 0.27 H new ATOM 0 HG LEU B 42 8.190 -0.078 -7.034 1.00 0.27 H new ATOM 0 HD11 LEU B 42 8.320 -2.407 -6.267 1.00 0.26 H new ATOM 0 HD12 LEU B 42 9.435 -2.089 -7.617 1.00 0.26 H new ATOM 0 HD13 LEU B 42 10.060 -2.202 -5.955 1.00 0.26 H new ATOM 0 HD21 LEU B 42 7.761 -0.627 -4.667 1.00 0.32 H new ATOM 0 HD22 LEU B 42 9.479 -0.346 -4.296 1.00 0.32 H new ATOM 0 HD23 LEU B 42 8.456 1.001 -4.851 1.00 0.32 H new ATOM 2957 N PRO B 43 12.210 1.759 -9.700 1.00 0.31 N ATOM 2958 CA PRO B 43 13.480 2.471 -9.880 1.00 0.33 C ATOM 2959 C PRO B 43 13.335 3.956 -9.582 1.00 0.33 C ATOM 2960 O PRO B 43 14.303 4.641 -9.242 1.00 0.36 O ATOM 2961 CB PRO B 43 13.826 2.259 -11.358 1.00 0.41 C ATOM 2962 CG PRO B 43 12.869 1.229 -11.856 1.00 0.51 C ATOM 2963 CD PRO B 43 11.651 1.340 -10.991 1.00 0.35 C ATOM 0 HA PRO B 43 14.251 2.102 -9.203 1.00 0.33 H new ATOM 0 HB2 PRO B 43 13.728 3.188 -11.920 1.00 0.41 H new ATOM 0 HB3 PRO B 43 14.857 1.924 -11.474 1.00 0.41 H new ATOM 0 HG2 PRO B 43 12.620 1.402 -12.903 1.00 0.51 H new ATOM 0 HG3 PRO B 43 13.303 0.231 -11.792 1.00 0.51 H new ATOM 0 HD2 PRO B 43 10.942 2.070 -11.382 1.00 0.35 H new ATOM 0 HD3 PRO B 43 11.121 0.391 -10.914 1.00 0.35 H new ATOM 2971 N SER B 44 12.113 4.439 -9.714 1.00 0.36 N ATOM 2972 CA SER B 44 11.791 5.828 -9.460 1.00 0.39 C ATOM 2973 C SER B 44 11.814 6.135 -7.967 1.00 0.35 C ATOM 2974 O SER B 44 12.461 7.086 -7.528 1.00 0.40 O ATOM 2975 CB SER B 44 10.410 6.116 -10.031 1.00 0.46 C ATOM 2976 OG SER B 44 9.547 5.008 -9.823 1.00 1.09 O ATOM 0 H SER B 44 11.314 3.875 -10.002 1.00 0.36 H new ATOM 0 HA SER B 44 12.538 6.462 -9.938 1.00 0.39 H new ATOM 0 HB2 SER B 44 9.992 7.004 -9.558 1.00 0.46 H new ATOM 0 HB3 SER B 44 10.488 6.329 -11.097 1.00 0.46 H new ATOM 0 HG SER B 44 9.173 4.719 -10.682 1.00 1.09 H new ATOM 2982 N PHE B 45 11.118 5.303 -7.194 1.00 0.30 N ATOM 2983 CA PHE B 45 10.969 5.489 -5.753 1.00 0.28 C ATOM 2984 C PHE B 45 12.247 5.164 -5.003 1.00 0.28 C ATOM 2985 O PHE B 45 12.202 4.777 -3.848 1.00 0.27 O ATOM 2986 CB PHE B 45 9.842 4.594 -5.221 1.00 0.31 C ATOM 2987 CG PHE B 45 8.659 4.491 -6.135 1.00 0.28 C ATOM 2988 CD1 PHE B 45 7.739 5.519 -6.230 1.00 1.17 C ATOM 2989 CD2 PHE B 45 8.472 3.355 -6.901 1.00 1.28 C ATOM 2990 CE1 PHE B 45 6.652 5.413 -7.075 1.00 1.18 C ATOM 2991 CE2 PHE B 45 7.391 3.242 -7.744 1.00 1.34 C ATOM 2992 CZ PHE B 45 6.479 4.271 -7.833 1.00 0.47 C ATOM 0 H PHE B 45 10.639 4.477 -7.552 1.00 0.30 H new ATOM 0 HA PHE B 45 10.731 6.540 -5.588 1.00 0.28 H new ATOM 0 HB2 PHE B 45 10.239 3.594 -5.044 1.00 0.31 H new ATOM 0 HB3 PHE B 45 9.510 4.980 -4.257 1.00 0.31 H new ATOM 0 HD1 PHE B 45 7.872 6.413 -5.638 1.00 1.17 H new ATOM 0 HD2 PHE B 45 9.184 2.546 -6.836 1.00 1.28 H new ATOM 0 HE1 PHE B 45 5.939 6.221 -7.143 1.00 1.18 H new ATOM 0 HE2 PHE B 45 7.257 2.348 -8.335 1.00 1.34 H new ATOM 0 HZ PHE B 45 5.630 4.185 -8.495 1.00 0.47 H new ATOM 3002 N LEU B 46 13.387 5.333 -5.641 1.00 0.32 N ATOM 3003 CA LEU B 46 14.644 5.198 -4.935 1.00 0.33 C ATOM 3004 C LEU B 46 15.203 6.582 -4.632 1.00 0.39 C ATOM 3005 O LEU B 46 16.020 6.751 -3.731 1.00 0.47 O ATOM 3006 CB LEU B 46 15.647 4.354 -5.734 1.00 0.35 C ATOM 3007 CG LEU B 46 15.127 2.979 -6.179 1.00 0.32 C ATOM 3008 CD1 LEU B 46 16.275 2.071 -6.587 1.00 0.41 C ATOM 3009 CD2 LEU B 46 14.274 2.333 -5.090 1.00 0.30 C ATOM 0 H LEU B 46 13.470 5.561 -6.632 1.00 0.32 H new ATOM 0 HA LEU B 46 14.467 4.673 -3.996 1.00 0.33 H new ATOM 0 HB2 LEU B 46 15.949 4.915 -6.618 1.00 0.35 H new ATOM 0 HB3 LEU B 46 16.541 4.209 -5.128 1.00 0.35 H new ATOM 0 HG LEU B 46 14.491 3.128 -7.052 1.00 0.32 H new ATOM 0 HD11 LEU B 46 15.881 1.103 -6.898 1.00 0.41 H new ATOM 0 HD12 LEU B 46 16.820 2.524 -7.415 1.00 0.41 H new ATOM 0 HD13 LEU B 46 16.948 1.933 -5.741 1.00 0.41 H new ATOM 0 HD21 LEU B 46 13.920 1.361 -5.434 1.00 0.30 H new ATOM 0 HD22 LEU B 46 14.872 2.203 -4.188 1.00 0.30 H new ATOM 0 HD23 LEU B 46 13.420 2.973 -4.869 1.00 0.30 H new ATOM 3021 N GLY B 47 14.732 7.576 -5.385 1.00 0.41 N ATOM 3022 CA GLY B 47 15.147 8.964 -5.189 1.00 0.49 C ATOM 3023 C GLY B 47 16.591 9.225 -5.575 1.00 0.53 C ATOM 3024 O GLY B 47 16.933 10.308 -6.047 1.00 0.60 O ATOM 0 H GLY B 47 14.059 7.444 -6.140 1.00 0.41 H new ATOM 0 HA2 GLY B 47 14.499 9.615 -5.776 1.00 0.49 H new ATOM 0 HA3 GLY B 47 15.005 9.233 -4.142 1.00 0.49 H new ATOM 3028 N LYS B 48 17.428 8.232 -5.372 1.00 0.54 N ATOM 3029 CA LYS B 48 18.801 8.261 -5.827 1.00 0.67 C ATOM 3030 C LYS B 48 19.143 6.931 -6.487 1.00 0.70 C ATOM 3031 O LYS B 48 19.146 6.824 -7.714 1.00 1.18 O ATOM 3032 CB LYS B 48 19.765 8.567 -4.667 1.00 0.82 C ATOM 3033 CG LYS B 48 19.275 8.101 -3.300 1.00 1.41 C ATOM 3034 CD LYS B 48 20.422 7.961 -2.308 1.00 2.04 C ATOM 3035 CE LYS B 48 20.980 9.313 -1.886 1.00 2.61 C ATOM 3036 NZ LYS B 48 20.034 10.057 -1.014 1.00 3.21 N ATOM 0 H LYS B 48 17.173 7.374 -4.882 1.00 0.54 H new ATOM 0 HA LYS B 48 18.914 9.061 -6.559 1.00 0.67 H new ATOM 0 HB2 LYS B 48 20.725 8.096 -4.875 1.00 0.82 H new ATOM 0 HB3 LYS B 48 19.939 9.642 -4.630 1.00 0.82 H new ATOM 0 HG2 LYS B 48 18.544 8.812 -2.914 1.00 1.41 H new ATOM 0 HG3 LYS B 48 18.764 7.144 -3.403 1.00 1.41 H new ATOM 0 HD2 LYS B 48 20.075 7.421 -1.427 1.00 2.04 H new ATOM 0 HD3 LYS B 48 21.217 7.364 -2.755 1.00 2.04 H new ATOM 0 HE2 LYS B 48 21.922 9.168 -1.358 1.00 2.61 H new ATOM 0 HE3 LYS B 48 21.200 9.907 -2.773 1.00 2.61 H new ATOM 0 HZ1 LYS B 48 20.513 10.889 -0.613 1.00 3.21 H new ATOM 0 HZ2 LYS B 48 19.215 10.366 -1.575 1.00 3.21 H new ATOM 0 HZ3 LYS B 48 19.712 9.438 -0.243 1.00 3.21 H new ATOM 3050 N ARG B 49 19.370 5.916 -5.660 1.00 0.54 N ATOM 3051 CA ARG B 49 19.698 4.575 -6.118 1.00 0.54 C ATOM 3052 C ARG B 49 19.990 3.701 -4.907 1.00 0.51 C ATOM 3053 O ARG B 49 20.576 4.168 -3.930 1.00 0.55 O ATOM 3054 CB ARG B 49 20.911 4.594 -7.062 1.00 0.66 C ATOM 3055 CG ARG B 49 21.241 3.241 -7.678 1.00 0.74 C ATOM 3056 CD ARG B 49 20.040 2.641 -8.395 1.00 0.73 C ATOM 3057 NE ARG B 49 19.528 3.508 -9.458 1.00 1.28 N ATOM 3058 CZ ARG B 49 18.652 3.114 -10.381 1.00 1.46 C ATOM 3059 NH1 ARG B 49 18.266 1.843 -10.437 1.00 1.43 N ATOM 3060 NH2 ARG B 49 18.190 3.986 -11.266 1.00 2.26 N ATOM 0 H ARG B 49 19.331 6.004 -4.645 1.00 0.54 H new ATOM 0 HA ARG B 49 18.852 4.172 -6.674 1.00 0.54 H new ATOM 0 HB2 ARG B 49 20.724 5.310 -7.863 1.00 0.66 H new ATOM 0 HB3 ARG B 49 21.781 4.952 -6.511 1.00 0.66 H new ATOM 0 HG2 ARG B 49 22.066 3.353 -8.381 1.00 0.74 H new ATOM 0 HG3 ARG B 49 21.578 2.558 -6.898 1.00 0.74 H new ATOM 0 HD2 ARG B 49 20.320 1.677 -8.820 1.00 0.73 H new ATOM 0 HD3 ARG B 49 19.247 2.452 -7.672 1.00 0.73 H new ATOM 0 HE ARG B 49 19.862 4.471 -9.494 1.00 1.28 H new ATOM 0 HH11 ARG B 49 18.641 1.166 -9.772 1.00 1.43 H new ATOM 0 HH12 ARG B 49 17.595 1.544 -11.145 1.00 1.43 H new ATOM 0 HH21 ARG B 49 18.505 4.956 -11.239 1.00 2.26 H new ATOM 0 HH22 ARG B 49 17.519 3.687 -11.974 1.00 2.26 H new ATOM 3074 N THR B 50 19.551 2.456 -4.958 1.00 0.51 N ATOM 3075 CA THR B 50 19.821 1.507 -3.899 1.00 0.51 C ATOM 3076 C THR B 50 21.316 1.224 -3.790 1.00 0.61 C ATOM 3077 O THR B 50 21.996 1.009 -4.797 1.00 0.82 O ATOM 3078 CB THR B 50 19.053 0.203 -4.138 1.00 0.57 C ATOM 3079 OG1 THR B 50 19.014 -0.086 -5.543 1.00 0.69 O ATOM 3080 CG2 THR B 50 17.635 0.299 -3.591 1.00 0.57 C ATOM 0 H THR B 50 19.001 2.079 -5.730 1.00 0.51 H new ATOM 0 HA THR B 50 19.485 1.946 -2.960 1.00 0.51 H new ATOM 0 HB THR B 50 19.569 -0.602 -3.614 1.00 0.57 H new ATOM 0 HG1 THR B 50 18.982 -1.056 -5.677 1.00 0.69 H new ATOM 0 HG21 THR B 50 17.111 -0.639 -3.773 1.00 0.57 H new ATOM 0 HG22 THR B 50 17.671 0.493 -2.519 1.00 0.57 H new ATOM 0 HG23 THR B 50 17.107 1.112 -4.089 1.00 0.57 H new ATOM 3088 N ASP B 51 21.827 1.257 -2.567 1.00 0.58 N ATOM 3089 CA ASP B 51 23.241 0.999 -2.319 1.00 0.72 C ATOM 3090 C ASP B 51 23.384 -0.107 -1.285 1.00 0.60 C ATOM 3091 O ASP B 51 22.416 -0.460 -0.610 1.00 0.58 O ATOM 3092 CB ASP B 51 23.936 2.268 -1.821 1.00 0.91 C ATOM 3093 CG ASP B 51 25.435 2.252 -2.056 1.00 1.35 C ATOM 3094 OD1 ASP B 51 26.171 1.644 -1.244 1.00 1.91 O ATOM 3095 OD2 ASP B 51 25.886 2.865 -3.044 1.00 1.98 O ATOM 0 H ASP B 51 21.283 1.460 -1.728 1.00 0.58 H new ATOM 0 HA ASP B 51 23.711 0.688 -3.252 1.00 0.72 H new ATOM 0 HB2 ASP B 51 23.504 3.134 -2.323 1.00 0.91 H new ATOM 0 HB3 ASP B 51 23.742 2.388 -0.755 1.00 0.91 H new ATOM 3100 N GLU B 52 24.592 -0.623 -1.135 1.00 0.68 N ATOM 3101 CA GLU B 52 24.844 -1.741 -0.238 1.00 0.66 C ATOM 3102 C GLU B 52 24.879 -1.265 1.209 1.00 0.55 C ATOM 3103 O GLU B 52 24.204 -1.824 2.074 1.00 0.50 O ATOM 3104 CB GLU B 52 26.163 -2.426 -0.604 1.00 0.83 C ATOM 3105 CG GLU B 52 26.223 -2.896 -2.049 1.00 1.57 C ATOM 3106 CD GLU B 52 25.126 -3.885 -2.388 1.00 2.22 C ATOM 3107 OE1 GLU B 52 23.971 -3.455 -2.590 1.00 2.79 O ATOM 3108 OE2 GLU B 52 25.408 -5.097 -2.455 1.00 2.89 O ATOM 0 H GLU B 52 25.419 -0.284 -1.626 1.00 0.68 H new ATOM 0 HA GLU B 52 24.034 -2.462 -0.345 1.00 0.66 H new ATOM 0 HB2 GLU B 52 26.985 -1.734 -0.421 1.00 0.83 H new ATOM 0 HB3 GLU B 52 26.314 -3.282 0.054 1.00 0.83 H new ATOM 0 HG2 GLU B 52 26.146 -2.033 -2.711 1.00 1.57 H new ATOM 0 HG3 GLU B 52 27.193 -3.357 -2.237 1.00 1.57 H new ATOM 3115 N ALA B 53 25.644 -0.206 1.457 1.00 0.58 N ATOM 3116 CA ALA B 53 25.787 0.341 2.801 1.00 0.58 C ATOM 3117 C ALA B 53 24.489 0.990 3.268 1.00 0.53 C ATOM 3118 O ALA B 53 24.290 1.225 4.458 1.00 0.58 O ATOM 3119 CB ALA B 53 26.926 1.350 2.844 1.00 0.70 C ATOM 0 H ALA B 53 26.175 0.291 0.742 1.00 0.58 H new ATOM 0 HA ALA B 53 26.019 -0.481 3.478 1.00 0.58 H new ATOM 0 HB1 ALA B 53 27.020 1.749 3.854 1.00 0.70 H new ATOM 0 HB2 ALA B 53 27.857 0.860 2.559 1.00 0.70 H new ATOM 0 HB3 ALA B 53 26.717 2.164 2.150 1.00 0.70 H new ATOM 3125 N ALA B 54 23.613 1.277 2.316 1.00 0.52 N ATOM 3126 CA ALA B 54 22.323 1.872 2.618 1.00 0.51 C ATOM 3127 C ALA B 54 21.273 0.798 2.861 1.00 0.39 C ATOM 3128 O ALA B 54 20.423 0.931 3.737 1.00 0.35 O ATOM 3129 CB ALA B 54 21.881 2.764 1.474 1.00 0.63 C ATOM 0 H ALA B 54 23.775 1.106 1.324 1.00 0.52 H new ATOM 0 HA ALA B 54 22.428 2.468 3.525 1.00 0.51 H new ATOM 0 HB1 ALA B 54 20.913 3.205 1.710 1.00 0.63 H new ATOM 0 HB2 ALA B 54 22.615 3.556 1.326 1.00 0.63 H new ATOM 0 HB3 ALA B 54 21.797 2.172 0.562 1.00 0.63 H new ATOM 3135 N PHE B 55 21.337 -0.273 2.080 1.00 0.38 N ATOM 3136 CA PHE B 55 20.324 -1.314 2.148 1.00 0.32 C ATOM 3137 C PHE B 55 20.402 -2.091 3.456 1.00 0.31 C ATOM 3138 O PHE B 55 19.396 -2.641 3.913 1.00 0.31 O ATOM 3139 CB PHE B 55 20.435 -2.275 0.969 1.00 0.41 C ATOM 3140 CG PHE B 55 19.091 -2.718 0.472 1.00 0.36 C ATOM 3141 CD1 PHE B 55 18.274 -3.520 1.253 1.00 1.23 C ATOM 3142 CD2 PHE B 55 18.636 -2.311 -0.767 1.00 1.25 C ATOM 3143 CE1 PHE B 55 17.028 -3.905 0.806 1.00 1.30 C ATOM 3144 CE2 PHE B 55 17.393 -2.695 -1.222 1.00 1.22 C ATOM 3145 CZ PHE B 55 16.586 -3.494 -0.434 1.00 0.46 C ATOM 0 H PHE B 55 22.075 -0.442 1.397 1.00 0.38 H new ATOM 0 HA PHE B 55 19.357 -0.814 2.102 1.00 0.32 H new ATOM 0 HB2 PHE B 55 20.979 -1.791 0.158 1.00 0.41 H new ATOM 0 HB3 PHE B 55 21.016 -3.148 1.267 1.00 0.41 H new ATOM 0 HD1 PHE B 55 18.617 -3.847 2.223 1.00 1.23 H new ATOM 0 HD2 PHE B 55 19.261 -1.685 -1.386 1.00 1.25 H new ATOM 0 HE1 PHE B 55 16.399 -4.527 1.426 1.00 1.30 H new ATOM 0 HE2 PHE B 55 17.050 -2.372 -2.194 1.00 1.22 H new ATOM 0 HZ PHE B 55 15.612 -3.796 -0.789 1.00 0.46 H new ATOM 3155 N GLN B 56 21.582 -2.132 4.066 1.00 0.35 N ATOM 3156 CA GLN B 56 21.729 -2.768 5.370 1.00 0.41 C ATOM 3157 C GLN B 56 20.829 -2.068 6.384 1.00 0.42 C ATOM 3158 O GLN B 56 20.330 -2.680 7.327 1.00 0.52 O ATOM 3159 CB GLN B 56 23.190 -2.744 5.835 1.00 0.51 C ATOM 3160 CG GLN B 56 23.705 -1.361 6.197 1.00 0.53 C ATOM 3161 CD GLN B 56 25.183 -1.360 6.522 1.00 0.69 C ATOM 3162 OE1 GLN B 56 26.019 -1.152 5.646 1.00 1.15 O ATOM 3163 NE2 GLN B 56 25.516 -1.599 7.778 1.00 1.53 N ATOM 0 H GLN B 56 22.441 -1.737 3.684 1.00 0.35 H new ATOM 0 HA GLN B 56 21.428 -3.812 5.286 1.00 0.41 H new ATOM 0 HB2 GLN B 56 23.295 -3.397 6.702 1.00 0.51 H new ATOM 0 HB3 GLN B 56 23.818 -3.158 5.046 1.00 0.51 H new ATOM 0 HG2 GLN B 56 23.518 -0.679 5.368 1.00 0.53 H new ATOM 0 HG3 GLN B 56 23.148 -0.982 7.054 1.00 0.53 H new ATOM 0 HE21 GLN B 56 24.790 -1.767 8.475 1.00 1.53 H new ATOM 0 HE22 GLN B 56 26.499 -1.616 8.051 1.00 1.53 H new ATOM 3172 N LYS B 57 20.607 -0.779 6.156 1.00 0.36 N ATOM 3173 CA LYS B 57 19.688 0.000 6.964 1.00 0.39 C ATOM 3174 C LYS B 57 18.275 -0.145 6.416 1.00 0.34 C ATOM 3175 O LYS B 57 17.324 -0.303 7.171 1.00 0.41 O ATOM 3176 CB LYS B 57 20.096 1.476 6.960 1.00 0.44 C ATOM 3177 CG LYS B 57 21.498 1.729 7.490 1.00 0.54 C ATOM 3178 CD LYS B 57 21.905 3.181 7.306 1.00 0.61 C ATOM 3179 CE LYS B 57 23.290 3.450 7.867 1.00 0.79 C ATOM 3180 NZ LYS B 57 23.318 3.380 9.353 1.00 1.27 N ATOM 0 H LYS B 57 21.058 -0.250 5.409 1.00 0.36 H new ATOM 0 HA LYS B 57 19.719 -0.370 7.989 1.00 0.39 H new ATOM 0 HB2 LYS B 57 20.029 1.859 5.942 1.00 0.44 H new ATOM 0 HB3 LYS B 57 19.384 2.041 7.561 1.00 0.44 H new ATOM 0 HG2 LYS B 57 21.542 1.468 8.547 1.00 0.54 H new ATOM 0 HG3 LYS B 57 22.207 1.082 6.973 1.00 0.54 H new ATOM 0 HD2 LYS B 57 21.886 3.433 6.246 1.00 0.61 H new ATOM 0 HD3 LYS B 57 21.180 3.828 7.800 1.00 0.61 H new ATOM 0 HE2 LYS B 57 23.993 2.725 7.458 1.00 0.79 H new ATOM 0 HE3 LYS B 57 23.625 4.436 7.545 1.00 0.79 H new ATOM 0 HZ1 LYS B 57 24.245 3.701 9.698 1.00 1.27 H new ATOM 0 HZ2 LYS B 57 22.572 3.991 9.743 1.00 1.27 H new ATOM 0 HZ3 LYS B 57 23.156 2.399 9.657 1.00 1.27 H new ATOM 3194 N LEU B 58 18.162 -0.117 5.087 1.00 0.27 N ATOM 3195 CA LEU B 58 16.867 -0.156 4.406 1.00 0.25 C ATOM 3196 C LEU B 58 16.043 -1.380 4.791 1.00 0.24 C ATOM 3197 O LEU B 58 14.895 -1.251 5.209 1.00 0.26 O ATOM 3198 CB LEU B 58 17.052 -0.143 2.888 1.00 0.22 C ATOM 3199 CG LEU B 58 15.742 -0.203 2.110 1.00 0.22 C ATOM 3200 CD1 LEU B 58 14.898 1.001 2.441 1.00 0.26 C ATOM 3201 CD2 LEU B 58 15.982 -0.276 0.615 1.00 0.23 C ATOM 0 H LEU B 58 18.961 -0.067 4.455 1.00 0.27 H new ATOM 0 HA LEU B 58 16.327 0.735 4.725 1.00 0.25 H new ATOM 0 HB2 LEU B 58 17.592 0.761 2.604 1.00 0.22 H new ATOM 0 HB3 LEU B 58 17.675 -0.990 2.600 1.00 0.22 H new ATOM 0 HG LEU B 58 15.216 -1.111 2.405 1.00 0.22 H new ATOM 0 HD11 LEU B 58 13.963 0.954 1.883 1.00 0.26 H new ATOM 0 HD12 LEU B 58 14.683 1.012 3.509 1.00 0.26 H new ATOM 0 HD13 LEU B 58 15.437 1.909 2.170 1.00 0.26 H new ATOM 0 HD21 LEU B 58 15.025 -0.317 0.094 1.00 0.23 H new ATOM 0 HD22 LEU B 58 16.533 0.607 0.291 1.00 0.23 H new ATOM 0 HD23 LEU B 58 16.560 -1.170 0.383 1.00 0.23 H new ATOM 3213 N MET B 59 16.628 -2.558 4.619 1.00 0.24 N ATOM 3214 CA MET B 59 15.963 -3.819 4.946 1.00 0.27 C ATOM 3215 C MET B 59 15.285 -3.763 6.310 1.00 0.34 C ATOM 3216 O MET B 59 14.080 -3.982 6.427 1.00 0.41 O ATOM 3217 CB MET B 59 16.986 -4.962 4.888 1.00 0.28 C ATOM 3218 CG MET B 59 16.756 -6.119 5.863 1.00 0.30 C ATOM 3219 SD MET B 59 15.094 -6.816 5.814 1.00 0.31 S ATOM 3220 CE MET B 59 14.867 -7.038 4.062 1.00 0.25 C ATOM 0 H MET B 59 17.573 -2.670 4.251 1.00 0.24 H new ATOM 0 HA MET B 59 15.178 -3.998 4.211 1.00 0.27 H new ATOM 0 HB2 MET B 59 16.995 -5.363 3.875 1.00 0.28 H new ATOM 0 HB3 MET B 59 17.976 -4.547 5.075 1.00 0.28 H new ATOM 0 HG2 MET B 59 17.475 -6.909 5.646 1.00 0.30 H new ATOM 0 HG3 MET B 59 16.961 -5.771 6.875 1.00 0.30 H new ATOM 0 HE1 MET B 59 14.123 -7.815 3.887 1.00 0.25 H new ATOM 0 HE2 MET B 59 14.526 -6.103 3.618 1.00 0.25 H new ATOM 0 HE3 MET B 59 15.813 -7.332 3.607 1.00 0.25 H new ATOM 3230 N SER B 60 16.051 -3.427 7.324 1.00 0.39 N ATOM 3231 CA SER B 60 15.555 -3.454 8.681 1.00 0.51 C ATOM 3232 C SER B 60 14.843 -2.146 9.022 1.00 0.44 C ATOM 3233 O SER B 60 14.307 -1.977 10.120 1.00 0.51 O ATOM 3234 CB SER B 60 16.711 -3.748 9.628 1.00 0.70 C ATOM 3235 OG SER B 60 16.265 -3.899 10.963 1.00 1.36 O ATOM 0 H SER B 60 17.023 -3.131 7.233 1.00 0.39 H new ATOM 0 HA SER B 60 14.815 -4.247 8.790 1.00 0.51 H new ATOM 0 HB2 SER B 60 17.221 -4.657 9.309 1.00 0.70 H new ATOM 0 HB3 SER B 60 17.439 -2.939 9.576 1.00 0.70 H new ATOM 0 HG SER B 60 15.441 -3.384 11.093 1.00 1.36 H new ATOM 3241 N ASN B 61 14.836 -1.223 8.065 1.00 0.37 N ATOM 3242 CA ASN B 61 14.079 0.012 8.192 1.00 0.42 C ATOM 3243 C ASN B 61 12.628 -0.303 7.894 1.00 0.44 C ATOM 3244 O ASN B 61 11.714 0.409 8.304 1.00 0.64 O ATOM 3245 CB ASN B 61 14.617 1.076 7.244 1.00 0.46 C ATOM 3246 CG ASN B 61 14.479 2.469 7.813 1.00 0.47 C ATOM 3247 OD1 ASN B 61 14.426 2.660 9.027 1.00 0.96 O ATOM 3248 ND2 ASN B 61 14.454 3.452 6.942 1.00 0.92 N ATOM 0 H ASN B 61 15.351 -1.311 7.189 1.00 0.37 H new ATOM 0 HA ASN B 61 14.173 0.412 9.202 1.00 0.42 H new ATOM 0 HB2 ASN B 61 15.667 0.874 7.032 1.00 0.46 H new ATOM 0 HB3 ASN B 61 14.084 1.018 6.295 1.00 0.46 H new ATOM 0 HD21 ASN B 61 14.388 4.417 7.264 1.00 0.92 H new ATOM 0 HD22 ASN B 61 14.500 3.250 5.943 1.00 0.92 H new ATOM 3255 N LEU B 62 12.443 -1.399 7.168 1.00 0.33 N ATOM 3256 CA LEU B 62 11.142 -2.012 7.002 1.00 0.39 C ATOM 3257 C LEU B 62 10.937 -3.037 8.102 1.00 0.54 C ATOM 3258 O LEU B 62 10.164 -2.820 9.034 1.00 1.18 O ATOM 3259 CB LEU B 62 11.032 -2.714 5.642 1.00 0.35 C ATOM 3260 CG LEU B 62 10.707 -1.826 4.443 1.00 0.25 C ATOM 3261 CD1 LEU B 62 9.417 -1.066 4.686 1.00 0.24 C ATOM 3262 CD2 LEU B 62 11.852 -0.876 4.130 1.00 0.22 C ATOM 0 H LEU B 62 13.195 -1.884 6.679 1.00 0.33 H new ATOM 0 HA LEU B 62 10.382 -1.232 7.053 1.00 0.39 H new ATOM 0 HB2 LEU B 62 11.975 -3.224 5.444 1.00 0.35 H new ATOM 0 HB3 LEU B 62 10.263 -3.483 5.716 1.00 0.35 H new ATOM 0 HG LEU B 62 10.571 -2.467 3.572 1.00 0.25 H new ATOM 0 HD11 LEU B 62 9.197 -0.437 3.823 1.00 0.24 H new ATOM 0 HD12 LEU B 62 8.601 -1.773 4.837 1.00 0.24 H new ATOM 0 HD13 LEU B 62 9.524 -0.441 5.573 1.00 0.24 H new ATOM 0 HD21 LEU B 62 11.588 -0.258 3.271 1.00 0.22 H new ATOM 0 HD22 LEU B 62 12.041 -0.237 4.993 1.00 0.22 H new ATOM 0 HD23 LEU B 62 12.749 -1.451 3.901 1.00 0.22 H new ATOM 3274 N ASP B 63 11.695 -4.125 7.997 1.00 0.31 N ATOM 3275 CA ASP B 63 11.587 -5.266 8.903 1.00 0.33 C ATOM 3276 C ASP B 63 11.763 -4.843 10.358 1.00 0.37 C ATOM 3277 O ASP B 63 12.869 -4.534 10.803 1.00 0.43 O ATOM 3278 CB ASP B 63 12.631 -6.319 8.516 1.00 0.40 C ATOM 3279 CG ASP B 63 12.639 -7.531 9.425 1.00 0.38 C ATOM 3280 OD1 ASP B 63 11.640 -7.764 10.138 1.00 1.08 O ATOM 3281 OD2 ASP B 63 13.655 -8.252 9.437 1.00 1.15 O ATOM 0 H ASP B 63 12.407 -4.241 7.276 1.00 0.31 H new ATOM 0 HA ASP B 63 10.588 -5.692 8.810 1.00 0.33 H new ATOM 0 HB2 ASP B 63 12.444 -6.644 7.493 1.00 0.40 H new ATOM 0 HB3 ASP B 63 13.619 -5.860 8.529 1.00 0.40 H new ATOM 3286 N SER B 64 10.657 -4.828 11.086 1.00 0.43 N ATOM 3287 CA SER B 64 10.658 -4.432 12.484 1.00 0.52 C ATOM 3288 C SER B 64 11.154 -5.567 13.369 1.00 0.58 C ATOM 3289 O SER B 64 11.590 -5.342 14.498 1.00 0.71 O ATOM 3290 CB SER B 64 9.255 -4.011 12.904 1.00 0.67 C ATOM 3291 OG SER B 64 8.754 -3.005 12.038 1.00 1.14 O ATOM 0 H SER B 64 9.739 -5.089 10.726 1.00 0.43 H new ATOM 0 HA SER B 64 11.336 -3.587 12.604 1.00 0.52 H new ATOM 0 HB2 SER B 64 8.591 -4.875 12.889 1.00 0.67 H new ATOM 0 HB3 SER B 64 9.272 -3.640 13.929 1.00 0.67 H new ATOM 0 HG SER B 64 8.472 -3.412 11.192 1.00 1.14 H new ATOM 3297 N ASN B 65 11.095 -6.784 12.846 1.00 0.60 N ATOM 3298 CA ASN B 65 11.592 -7.949 13.566 1.00 0.75 C ATOM 3299 C ASN B 65 13.113 -7.951 13.521 1.00 0.76 C ATOM 3300 O ASN B 65 13.776 -8.554 14.363 1.00 0.91 O ATOM 3301 CB ASN B 65 11.033 -9.233 12.942 1.00 0.89 C ATOM 3302 CG ASN B 65 11.501 -10.499 13.638 1.00 1.52 C ATOM 3303 OD1 ASN B 65 11.725 -10.519 14.849 1.00 1.87 O ATOM 3304 ND2 ASN B 65 11.653 -11.566 12.871 1.00 2.34 N ATOM 0 H ASN B 65 10.708 -6.991 11.925 1.00 0.60 H new ATOM 0 HA ASN B 65 11.264 -7.905 14.605 1.00 0.75 H new ATOM 0 HB2 ASN B 65 9.944 -9.195 12.967 1.00 0.89 H new ATOM 0 HB3 ASN B 65 11.326 -9.275 11.893 1.00 0.89 H new ATOM 0 HD21 ASN B 65 11.966 -12.447 13.279 1.00 2.34 H new ATOM 0 HD22 ASN B 65 11.457 -11.508 11.872 1.00 2.34 H new ATOM 3311 N ARG B 66 13.646 -7.231 12.535 1.00 0.68 N ATOM 3312 CA ARG B 66 15.086 -7.072 12.352 1.00 0.81 C ATOM 3313 C ARG B 66 15.754 -8.426 12.165 1.00 0.88 C ATOM 3314 O ARG B 66 16.789 -8.714 12.765 1.00 1.11 O ATOM 3315 CB ARG B 66 15.715 -6.328 13.534 1.00 1.04 C ATOM 3316 CG ARG B 66 15.044 -5.001 13.846 1.00 1.10 C ATOM 3317 CD ARG B 66 15.928 -4.118 14.706 1.00 1.39 C ATOM 3318 NE ARG B 66 17.120 -3.686 13.980 1.00 2.08 N ATOM 3319 CZ ARG B 66 17.445 -2.410 13.771 1.00 2.77 C ATOM 3320 NH1 ARG B 66 16.706 -1.436 14.287 1.00 2.86 N ATOM 3321 NH2 ARG B 66 18.519 -2.108 13.054 1.00 3.79 N ATOM 0 H ARG B 66 13.087 -6.739 11.838 1.00 0.68 H new ATOM 0 HA ARG B 66 15.244 -6.476 11.453 1.00 0.81 H new ATOM 0 HB2 ARG B 66 15.671 -6.964 14.418 1.00 1.04 H new ATOM 0 HB3 ARG B 66 16.769 -6.151 13.321 1.00 1.04 H new ATOM 0 HG2 ARG B 66 14.807 -4.484 12.916 1.00 1.10 H new ATOM 0 HG3 ARG B 66 14.100 -5.182 14.359 1.00 1.10 H new ATOM 0 HD2 ARG B 66 15.364 -3.245 15.034 1.00 1.39 H new ATOM 0 HD3 ARG B 66 16.224 -4.661 15.603 1.00 1.39 H new ATOM 0 HE ARG B 66 17.742 -4.405 13.610 1.00 2.08 H new ATOM 0 HH11 ARG B 66 15.884 -1.662 14.847 1.00 2.86 H new ATOM 0 HH12 ARG B 66 16.960 -0.462 14.123 1.00 2.86 H new ATOM 0 HH21 ARG B 66 19.096 -2.852 12.662 1.00 3.79 H new ATOM 0 HH22 ARG B 66 18.768 -1.132 12.894 1.00 3.79 H new ATOM 3335 N ASP B 67 15.170 -9.244 11.307 1.00 0.75 N ATOM 3336 CA ASP B 67 15.683 -10.580 11.062 1.00 0.88 C ATOM 3337 C ASP B 67 16.281 -10.627 9.667 1.00 0.77 C ATOM 3338 O ASP B 67 16.777 -11.662 9.218 1.00 0.96 O ATOM 3339 CB ASP B 67 14.572 -11.620 11.203 1.00 1.00 C ATOM 3340 CG ASP B 67 15.092 -12.953 11.700 1.00 1.39 C ATOM 3341 OD1 ASP B 67 15.229 -13.113 12.932 1.00 1.95 O ATOM 3342 OD2 ASP B 67 15.359 -13.851 10.874 1.00 1.93 O ATOM 0 H ASP B 67 14.338 -9.005 10.767 1.00 0.75 H new ATOM 0 HA ASP B 67 16.452 -10.814 11.799 1.00 0.88 H new ATOM 0 HB2 ASP B 67 13.815 -11.248 11.893 1.00 1.00 H new ATOM 0 HB3 ASP B 67 14.084 -11.760 10.239 1.00 1.00 H new ATOM 3347 N ASN B 68 16.201 -9.475 8.993 1.00 0.62 N ATOM 3348 CA ASN B 68 16.783 -9.276 7.664 1.00 0.55 C ATOM 3349 C ASN B 68 15.916 -9.927 6.600 1.00 0.43 C ATOM 3350 O ASN B 68 16.402 -10.330 5.541 1.00 0.57 O ATOM 3351 CB ASN B 68 18.223 -9.803 7.587 1.00 0.77 C ATOM 3352 CG ASN B 68 19.218 -8.929 8.334 1.00 1.30 C ATOM 3353 OD1 ASN B 68 18.775 -8.277 9.398 1.00 1.41 O flip ATOM 3354 ND2 ASN B 68 20.385 -8.848 7.955 1.00 2.22 N flip ATOM 0 H ASN B 68 15.727 -8.649 9.358 1.00 0.62 H new ATOM 0 HA ASN B 68 16.819 -8.203 7.478 1.00 0.55 H new ATOM 0 HB2 ASN B 68 18.257 -10.813 7.996 1.00 0.77 H new ATOM 0 HB3 ASN B 68 18.523 -9.873 6.541 1.00 0.77 H new ATOM 0 HD21 ASN B 68 20.690 -9.365 7.131 1.00 2.22 H new ATOM 0 HD22 ASN B 68 21.048 -8.264 8.465 1.00 2.22 H new ATOM 3361 N GLU B 69 14.621 -9.976 6.874 1.00 0.42 N ATOM 3362 CA GLU B 69 13.663 -10.592 5.977 1.00 0.42 C ATOM 3363 C GLU B 69 12.268 -10.023 6.216 1.00 0.39 C ATOM 3364 O GLU B 69 11.724 -10.113 7.317 1.00 0.54 O ATOM 3365 CB GLU B 69 13.672 -12.112 6.149 1.00 0.60 C ATOM 3366 CG GLU B 69 13.543 -12.573 7.593 1.00 1.04 C ATOM 3367 CD GLU B 69 13.518 -14.079 7.715 1.00 1.44 C ATOM 3368 OE1 GLU B 69 14.546 -14.721 7.410 1.00 2.09 O ATOM 3369 OE2 GLU B 69 12.469 -14.630 8.106 1.00 1.84 O ATOM 0 H GLU B 69 14.208 -9.590 7.723 1.00 0.42 H new ATOM 0 HA GLU B 69 13.950 -10.366 4.950 1.00 0.42 H new ATOM 0 HB2 GLU B 69 12.854 -12.538 5.568 1.00 0.60 H new ATOM 0 HB3 GLU B 69 14.598 -12.509 5.733 1.00 0.60 H new ATOM 0 HG2 GLU B 69 14.376 -12.178 8.174 1.00 1.04 H new ATOM 0 HG3 GLU B 69 12.630 -12.161 8.023 1.00 1.04 H new ATOM 3376 N VAL B 70 11.701 -9.437 5.179 1.00 0.28 N ATOM 3377 CA VAL B 70 10.406 -8.781 5.272 1.00 0.25 C ATOM 3378 C VAL B 70 9.266 -9.744 4.943 1.00 0.25 C ATOM 3379 O VAL B 70 9.297 -10.441 3.924 1.00 0.33 O ATOM 3380 CB VAL B 70 10.359 -7.549 4.338 1.00 0.26 C ATOM 3381 CG1 VAL B 70 8.934 -7.156 3.995 1.00 0.29 C ATOM 3382 CG2 VAL B 70 11.073 -6.380 4.991 1.00 0.30 C ATOM 0 H VAL B 70 12.121 -9.401 4.250 1.00 0.28 H new ATOM 0 HA VAL B 70 10.273 -8.449 6.302 1.00 0.25 H new ATOM 0 HB VAL B 70 10.863 -7.817 3.409 1.00 0.26 H new ATOM 0 HG11 VAL B 70 8.945 -6.287 3.337 1.00 0.29 H new ATOM 0 HG12 VAL B 70 8.439 -7.986 3.491 1.00 0.29 H new ATOM 0 HG13 VAL B 70 8.394 -6.912 4.910 1.00 0.29 H new ATOM 0 HG21 VAL B 70 11.037 -5.515 4.328 1.00 0.30 H new ATOM 0 HG22 VAL B 70 10.584 -6.136 5.934 1.00 0.30 H new ATOM 0 HG23 VAL B 70 12.112 -6.648 5.180 1.00 0.30 H new ATOM 3392 N ASP B 71 8.271 -9.785 5.829 1.00 0.25 N ATOM 3393 CA ASP B 71 7.094 -10.624 5.633 1.00 0.29 C ATOM 3394 C ASP B 71 5.937 -9.778 5.097 1.00 0.22 C ATOM 3395 O ASP B 71 6.122 -8.604 4.795 1.00 0.21 O ATOM 3396 CB ASP B 71 6.697 -11.333 6.933 1.00 0.42 C ATOM 3397 CG ASP B 71 5.916 -12.611 6.674 1.00 1.18 C ATOM 3398 OD1 ASP B 71 4.674 -12.547 6.559 1.00 2.06 O ATOM 3399 OD2 ASP B 71 6.543 -13.687 6.572 1.00 1.72 O ATOM 0 H ASP B 71 8.259 -9.243 6.693 1.00 0.25 H new ATOM 0 HA ASP B 71 7.335 -11.395 4.901 1.00 0.29 H new ATOM 0 HB2 ASP B 71 7.594 -11.567 7.506 1.00 0.42 H new ATOM 0 HB3 ASP B 71 6.096 -10.659 7.544 1.00 0.42 H new ATOM 3404 N PHE B 72 4.752 -10.369 4.996 1.00 0.21 N ATOM 3405 CA PHE B 72 3.658 -9.800 4.210 1.00 0.19 C ATOM 3406 C PHE B 72 3.253 -8.376 4.626 1.00 0.15 C ATOM 3407 O PHE B 72 3.306 -7.462 3.799 1.00 0.14 O ATOM 3408 CB PHE B 72 2.440 -10.718 4.255 1.00 0.21 C ATOM 3409 CG PHE B 72 1.576 -10.621 3.028 1.00 0.20 C ATOM 3410 CD1 PHE B 72 1.861 -9.701 2.025 1.00 1.19 C ATOM 3411 CD2 PHE B 72 0.490 -11.459 2.870 1.00 1.18 C ATOM 3412 CE1 PHE B 72 1.080 -9.621 0.894 1.00 1.20 C ATOM 3413 CE2 PHE B 72 -0.295 -11.386 1.738 1.00 1.20 C ATOM 3414 CZ PHE B 72 0.000 -10.466 0.750 1.00 0.32 C ATOM 0 H PHE B 72 4.521 -11.251 5.453 1.00 0.21 H new ATOM 0 HA PHE B 72 4.039 -9.721 3.192 1.00 0.19 H new ATOM 0 HB2 PHE B 72 2.775 -11.748 4.375 1.00 0.21 H new ATOM 0 HB3 PHE B 72 1.842 -10.473 5.133 1.00 0.21 H new ATOM 0 HD1 PHE B 72 2.708 -9.039 2.135 1.00 1.19 H new ATOM 0 HD2 PHE B 72 0.253 -12.178 3.640 1.00 1.18 H new ATOM 0 HE1 PHE B 72 1.312 -8.900 0.124 1.00 1.20 H new ATOM 0 HE2 PHE B 72 -1.141 -12.048 1.624 1.00 1.20 H new ATOM 0 HZ PHE B 72 -0.616 -10.409 -0.135 1.00 0.32 H new ATOM 3424 N GLN B 73 2.828 -8.170 5.875 1.00 0.15 N ATOM 3425 CA GLN B 73 2.366 -6.837 6.291 1.00 0.14 C ATOM 3426 C GLN B 73 3.511 -5.842 6.202 1.00 0.12 C ATOM 3427 O GLN B 73 3.308 -4.699 5.797 1.00 0.13 O ATOM 3428 CB GLN B 73 1.780 -6.835 7.711 1.00 0.16 C ATOM 3429 CG GLN B 73 0.823 -5.681 7.972 1.00 0.26 C ATOM 3430 CD GLN B 73 0.337 -5.646 9.409 1.00 0.22 C ATOM 3431 OE1 GLN B 73 -0.662 -6.270 9.751 1.00 0.68 O ATOM 3432 NE2 GLN B 73 1.031 -4.907 10.259 1.00 0.60 N ATOM 0 H GLN B 73 2.793 -8.886 6.601 1.00 0.15 H new ATOM 0 HA GLN B 73 1.566 -6.545 5.611 1.00 0.14 H new ATOM 0 HB2 GLN B 73 1.257 -7.776 7.881 1.00 0.16 H new ATOM 0 HB3 GLN B 73 2.596 -6.790 8.432 1.00 0.16 H new ATOM 0 HG2 GLN B 73 1.320 -4.740 7.736 1.00 0.26 H new ATOM 0 HG3 GLN B 73 -0.034 -5.765 7.303 1.00 0.26 H new ATOM 0 HE21 GLN B 73 1.857 -4.402 9.939 1.00 0.60 H new ATOM 0 HE22 GLN B 73 0.740 -4.843 11.234 1.00 0.60 H new ATOM 3441 N GLU B 74 4.717 -6.296 6.543 1.00 0.14 N ATOM 3442 CA GLU B 74 5.905 -5.456 6.473 1.00 0.17 C ATOM 3443 C GLU B 74 6.187 -5.077 5.019 1.00 0.14 C ATOM 3444 O GLU B 74 6.652 -3.977 4.720 1.00 0.16 O ATOM 3445 CB GLU B 74 7.106 -6.198 7.066 1.00 0.27 C ATOM 3446 CG GLU B 74 8.174 -5.283 7.638 1.00 0.38 C ATOM 3447 CD GLU B 74 7.737 -4.630 8.934 1.00 0.43 C ATOM 3448 OE1 GLU B 74 6.944 -3.674 8.885 1.00 1.21 O ATOM 3449 OE2 GLU B 74 8.182 -5.078 10.014 1.00 1.10 O ATOM 0 H GLU B 74 4.894 -7.245 6.871 1.00 0.14 H new ATOM 0 HA GLU B 74 5.734 -4.547 7.049 1.00 0.17 H new ATOM 0 HB2 GLU B 74 6.755 -6.867 7.852 1.00 0.27 H new ATOM 0 HB3 GLU B 74 7.553 -6.822 6.292 1.00 0.27 H new ATOM 0 HG2 GLU B 74 9.085 -5.855 7.811 1.00 0.38 H new ATOM 0 HG3 GLU B 74 8.417 -4.511 6.908 1.00 0.38 H new ATOM 3456 N TYR B 75 5.885 -6.004 4.122 1.00 0.14 N ATOM 3457 CA TYR B 75 6.049 -5.791 2.692 1.00 0.14 C ATOM 3458 C TYR B 75 5.066 -4.740 2.195 1.00 0.11 C ATOM 3459 O TYR B 75 5.410 -3.893 1.378 1.00 0.13 O ATOM 3460 CB TYR B 75 5.841 -7.119 1.942 1.00 0.16 C ATOM 3461 CG TYR B 75 5.971 -7.027 0.437 1.00 0.17 C ATOM 3462 CD1 TYR B 75 4.943 -6.508 -0.349 1.00 1.21 C ATOM 3463 CD2 TYR B 75 7.122 -7.464 -0.201 1.00 1.19 C ATOM 3464 CE1 TYR B 75 5.064 -6.421 -1.720 1.00 1.22 C ATOM 3465 CE2 TYR B 75 7.250 -7.382 -1.576 1.00 1.20 C ATOM 3466 CZ TYR B 75 6.220 -6.858 -2.330 1.00 0.22 C ATOM 3467 OH TYR B 75 6.347 -6.773 -3.697 1.00 0.26 O ATOM 0 H TYR B 75 5.519 -6.925 4.365 1.00 0.14 H new ATOM 0 HA TYR B 75 7.060 -5.430 2.501 1.00 0.14 H new ATOM 0 HB2 TYR B 75 6.565 -7.845 2.311 1.00 0.16 H new ATOM 0 HB3 TYR B 75 4.851 -7.505 2.184 1.00 0.16 H new ATOM 0 HD1 TYR B 75 4.034 -6.167 0.125 1.00 1.21 H new ATOM 0 HD2 TYR B 75 7.931 -7.875 0.385 1.00 1.19 H new ATOM 0 HE1 TYR B 75 4.258 -6.013 -2.312 1.00 1.22 H new ATOM 0 HE2 TYR B 75 8.153 -7.727 -2.058 1.00 1.20 H new ATOM 0 HH TYR B 75 6.430 -5.833 -3.960 1.00 0.26 H new ATOM 3477 N CYS B 76 3.847 -4.788 2.698 1.00 0.11 N ATOM 3478 CA CYS B 76 2.805 -3.907 2.218 1.00 0.12 C ATOM 3479 C CYS B 76 2.853 -2.544 2.907 1.00 0.12 C ATOM 3480 O CYS B 76 2.555 -1.530 2.281 1.00 0.13 O ATOM 3481 CB CYS B 76 1.441 -4.563 2.415 1.00 0.14 C ATOM 3482 SG CYS B 76 1.326 -6.227 1.723 1.00 0.22 S ATOM 0 H CYS B 76 3.556 -5.427 3.438 1.00 0.11 H new ATOM 0 HA CYS B 76 2.971 -3.736 1.154 1.00 0.12 H new ATOM 0 HB2 CYS B 76 1.220 -4.607 3.481 1.00 0.14 H new ATOM 0 HB3 CYS B 76 0.677 -3.935 1.957 1.00 0.14 H new ATOM 0 HG CYS B 76 2.084 -7.034 2.404 1.00 0.22 H new ATOM 3488 N VAL B 77 3.224 -2.508 4.187 1.00 0.13 N ATOM 3489 CA VAL B 77 3.386 -1.230 4.886 1.00 0.14 C ATOM 3490 C VAL B 77 4.524 -0.460 4.228 1.00 0.14 C ATOM 3491 O VAL B 77 4.524 0.765 4.183 1.00 0.19 O ATOM 3492 CB VAL B 77 3.651 -1.420 6.405 1.00 0.16 C ATOM 3493 CG1 VAL B 77 4.919 -2.204 6.625 1.00 0.14 C ATOM 3494 CG2 VAL B 77 3.719 -0.088 7.150 1.00 0.20 C ATOM 0 H VAL B 77 3.416 -3.334 4.755 1.00 0.13 H new ATOM 0 HA VAL B 77 2.456 -0.667 4.807 1.00 0.14 H new ATOM 0 HB VAL B 77 2.808 -1.979 6.811 1.00 0.16 H new ATOM 0 HG11 VAL B 77 5.089 -2.328 7.694 1.00 0.14 H new ATOM 0 HG12 VAL B 77 4.827 -3.184 6.156 1.00 0.14 H new ATOM 0 HG13 VAL B 77 5.759 -1.668 6.183 1.00 0.14 H new ATOM 0 HG21 VAL B 77 3.906 -0.272 8.208 1.00 0.20 H new ATOM 0 HG22 VAL B 77 4.526 0.518 6.739 1.00 0.20 H new ATOM 0 HG23 VAL B 77 2.773 0.442 7.035 1.00 0.20 H new ATOM 3504 N PHE B 78 5.478 -1.218 3.702 1.00 0.11 N ATOM 3505 CA PHE B 78 6.519 -0.691 2.833 1.00 0.11 C ATOM 3506 C PHE B 78 5.902 0.099 1.686 1.00 0.11 C ATOM 3507 O PHE B 78 6.339 1.202 1.355 1.00 0.11 O ATOM 3508 CB PHE B 78 7.327 -1.872 2.290 1.00 0.12 C ATOM 3509 CG PHE B 78 8.134 -1.582 1.060 1.00 0.12 C ATOM 3510 CD1 PHE B 78 7.586 -1.759 -0.203 1.00 1.17 C ATOM 3511 CD2 PHE B 78 9.441 -1.153 1.169 1.00 1.18 C ATOM 3512 CE1 PHE B 78 8.330 -1.510 -1.335 1.00 1.18 C ATOM 3513 CE2 PHE B 78 10.193 -0.898 0.043 1.00 1.18 C ATOM 3514 CZ PHE B 78 9.639 -1.077 -1.212 1.00 0.15 C ATOM 0 H PHE B 78 5.550 -2.222 3.868 1.00 0.11 H new ATOM 0 HA PHE B 78 7.168 -0.017 3.392 1.00 0.11 H new ATOM 0 HB2 PHE B 78 8.000 -2.221 3.073 1.00 0.12 H new ATOM 0 HB3 PHE B 78 6.641 -2.690 2.071 1.00 0.12 H new ATOM 0 HD1 PHE B 78 6.564 -2.096 -0.299 1.00 1.17 H new ATOM 0 HD2 PHE B 78 9.879 -1.016 2.147 1.00 1.18 H new ATOM 0 HE1 PHE B 78 7.895 -1.652 -2.313 1.00 1.18 H new ATOM 0 HE2 PHE B 78 11.214 -0.559 0.140 1.00 1.18 H new ATOM 0 HZ PHE B 78 10.228 -0.879 -2.096 1.00 0.15 H new ATOM 3524 N LEU B 79 4.878 -0.486 1.095 1.00 0.14 N ATOM 3525 CA LEU B 79 4.200 0.103 -0.040 1.00 0.16 C ATOM 3526 C LEU B 79 3.402 1.325 0.351 1.00 0.17 C ATOM 3527 O LEU B 79 3.531 2.386 -0.259 1.00 0.20 O ATOM 3528 CB LEU B 79 3.281 -0.921 -0.676 1.00 0.15 C ATOM 3529 CG LEU B 79 3.960 -1.852 -1.658 1.00 0.15 C ATOM 3530 CD1 LEU B 79 3.879 -3.287 -1.192 1.00 0.19 C ATOM 3531 CD2 LEU B 79 3.310 -1.686 -3.001 1.00 0.14 C ATOM 0 H LEU B 79 4.494 -1.384 1.390 1.00 0.14 H new ATOM 0 HA LEU B 79 4.962 0.416 -0.753 1.00 0.16 H new ATOM 0 HB2 LEU B 79 2.822 -1.518 0.112 1.00 0.15 H new ATOM 0 HB3 LEU B 79 2.475 -0.397 -1.190 1.00 0.15 H new ATOM 0 HG LEU B 79 5.018 -1.598 -1.729 1.00 0.15 H new ATOM 0 HD11 LEU B 79 4.375 -3.933 -1.916 1.00 0.19 H new ATOM 0 HD12 LEU B 79 4.370 -3.383 -0.224 1.00 0.19 H new ATOM 0 HD13 LEU B 79 2.833 -3.581 -1.099 1.00 0.19 H new ATOM 0 HD21 LEU B 79 3.788 -2.350 -3.721 1.00 0.14 H new ATOM 0 HD22 LEU B 79 2.251 -1.934 -2.926 1.00 0.14 H new ATOM 0 HD23 LEU B 79 3.418 -0.653 -3.333 1.00 0.14 H new ATOM 3543 N SER B 80 2.582 1.176 1.371 1.00 0.19 N ATOM 3544 CA SER B 80 1.766 2.269 1.844 1.00 0.21 C ATOM 3545 C SER B 80 2.650 3.388 2.342 1.00 0.20 C ATOM 3546 O SER B 80 2.278 4.559 2.296 1.00 0.24 O ATOM 3547 CB SER B 80 0.836 1.774 2.930 1.00 0.22 C ATOM 3548 OG SER B 80 1.491 0.861 3.787 1.00 0.18 O ATOM 0 H SER B 80 2.465 0.305 1.888 1.00 0.19 H new ATOM 0 HA SER B 80 1.158 2.659 1.027 1.00 0.21 H new ATOM 0 HB2 SER B 80 0.467 2.620 3.510 1.00 0.22 H new ATOM 0 HB3 SER B 80 -0.032 1.294 2.478 1.00 0.22 H new ATOM 0 HG SER B 80 0.926 0.071 3.917 1.00 0.18 H new ATOM 3554 N CYS B 81 3.830 3.014 2.800 1.00 0.17 N ATOM 3555 CA CYS B 81 4.854 3.970 3.110 1.00 0.18 C ATOM 3556 C CYS B 81 5.166 4.796 1.885 1.00 0.33 C ATOM 3557 O CYS B 81 5.004 5.997 1.909 1.00 0.72 O ATOM 3558 CB CYS B 81 6.124 3.289 3.591 1.00 0.30 C ATOM 3559 SG CYS B 81 7.595 4.299 3.337 1.00 1.83 S ATOM 0 H CYS B 81 4.096 2.043 2.964 1.00 0.17 H new ATOM 0 HA CYS B 81 4.483 4.610 3.911 1.00 0.18 H new ATOM 0 HB2 CYS B 81 6.027 3.056 4.651 1.00 0.30 H new ATOM 0 HB3 CYS B 81 6.244 2.341 3.066 1.00 0.30 H new ATOM 0 HG CYS B 81 8.298 3.805 2.361 1.00 1.83 H new ATOM 3565 N ILE B 82 5.584 4.141 0.804 1.00 0.17 N ATOM 3566 CA ILE B 82 5.981 4.855 -0.401 1.00 0.19 C ATOM 3567 C ILE B 82 4.856 5.750 -0.904 1.00 0.21 C ATOM 3568 O ILE B 82 5.074 6.914 -1.214 1.00 0.28 O ATOM 3569 CB ILE B 82 6.412 3.914 -1.543 1.00 0.19 C ATOM 3570 CG1 ILE B 82 7.518 2.969 -1.082 1.00 0.24 C ATOM 3571 CG2 ILE B 82 6.894 4.740 -2.724 1.00 0.24 C ATOM 3572 CD1 ILE B 82 8.303 2.364 -2.225 1.00 0.41 C ATOM 0 H ILE B 82 5.655 3.125 0.740 1.00 0.17 H new ATOM 0 HA ILE B 82 6.842 5.459 -0.114 1.00 0.19 H new ATOM 0 HB ILE B 82 5.554 3.312 -1.842 1.00 0.19 H new ATOM 0 HG12 ILE B 82 8.201 3.512 -0.428 1.00 0.24 H new ATOM 0 HG13 ILE B 82 7.078 2.168 -0.488 1.00 0.24 H new ATOM 0 HG21 ILE B 82 7.199 4.076 -3.532 1.00 0.24 H new ATOM 0 HG22 ILE B 82 6.087 5.386 -3.070 1.00 0.24 H new ATOM 0 HG23 ILE B 82 7.742 5.352 -2.418 1.00 0.24 H new ATOM 0 HD11 ILE B 82 9.073 1.703 -1.828 1.00 0.41 H new ATOM 0 HD12 ILE B 82 7.631 1.794 -2.867 1.00 0.41 H new ATOM 0 HD13 ILE B 82 8.772 3.159 -2.805 1.00 0.41 H new ATOM 3584 N ALA B 83 3.652 5.210 -0.961 1.00 0.26 N ATOM 3585 CA ALA B 83 2.507 5.966 -1.443 1.00 0.32 C ATOM 3586 C ALA B 83 2.232 7.182 -0.562 1.00 0.32 C ATOM 3587 O ALA B 83 1.989 8.278 -1.057 1.00 0.35 O ATOM 3588 CB ALA B 83 1.284 5.075 -1.512 1.00 0.42 C ATOM 0 H ALA B 83 3.440 4.252 -0.680 1.00 0.26 H new ATOM 0 HA ALA B 83 2.739 6.328 -2.445 1.00 0.32 H new ATOM 0 HB1 ALA B 83 0.433 5.652 -1.874 1.00 0.42 H new ATOM 0 HB2 ALA B 83 1.476 4.246 -2.193 1.00 0.42 H new ATOM 0 HB3 ALA B 83 1.061 4.685 -0.519 1.00 0.42 H new ATOM 3594 N MET B 84 2.291 6.983 0.745 1.00 0.33 N ATOM 3595 CA MET B 84 2.019 8.047 1.708 1.00 0.36 C ATOM 3596 C MET B 84 3.218 8.969 1.854 1.00 0.36 C ATOM 3597 O MET B 84 3.088 10.144 2.190 1.00 0.48 O ATOM 3598 CB MET B 84 1.650 7.420 3.041 1.00 0.38 C ATOM 3599 CG MET B 84 1.523 8.392 4.194 1.00 0.44 C ATOM 3600 SD MET B 84 1.278 7.512 5.739 1.00 0.38 S ATOM 3601 CE MET B 84 2.376 6.126 5.443 1.00 0.22 C ATOM 0 H MET B 84 2.527 6.086 1.170 1.00 0.33 H new ATOM 0 HA MET B 84 1.187 8.654 1.351 1.00 0.36 H new ATOM 0 HB2 MET B 84 0.704 6.891 2.926 1.00 0.38 H new ATOM 0 HB3 MET B 84 2.404 6.675 3.296 1.00 0.38 H new ATOM 0 HG2 MET B 84 2.420 9.007 4.258 1.00 0.44 H new ATOM 0 HG3 MET B 84 0.686 9.067 4.017 1.00 0.44 H new ATOM 0 HE1 MET B 84 2.807 5.795 6.388 1.00 0.22 H new ATOM 0 HE2 MET B 84 1.815 5.307 4.993 1.00 0.22 H new ATOM 0 HE3 MET B 84 3.175 6.432 4.768 1.00 0.22 H new ATOM 3611 N MET B 85 4.381 8.423 1.592 1.00 0.28 N ATOM 3612 CA MET B 85 5.591 9.199 1.545 1.00 0.29 C ATOM 3613 C MET B 85 5.547 10.100 0.312 1.00 0.34 C ATOM 3614 O MET B 85 6.091 11.203 0.296 1.00 0.48 O ATOM 3615 CB MET B 85 6.784 8.267 1.500 1.00 0.28 C ATOM 3616 CG MET B 85 8.054 8.935 1.954 1.00 0.32 C ATOM 3617 SD MET B 85 9.494 8.396 1.013 1.00 0.29 S ATOM 3618 CE MET B 85 9.440 6.663 1.420 1.00 0.25 C ATOM 0 H MET B 85 4.513 7.429 1.406 1.00 0.28 H new ATOM 0 HA MET B 85 5.682 9.824 2.434 1.00 0.29 H new ATOM 0 HB2 MET B 85 6.588 7.400 2.131 1.00 0.28 H new ATOM 0 HB3 MET B 85 6.915 7.898 0.483 1.00 0.28 H new ATOM 0 HG2 MET B 85 7.946 10.015 1.859 1.00 0.32 H new ATOM 0 HG3 MET B 85 8.215 8.722 3.011 1.00 0.32 H new ATOM 0 HE1 MET B 85 10.402 6.205 1.190 1.00 0.25 H new ATOM 0 HE2 MET B 85 9.227 6.545 2.482 1.00 0.25 H new ATOM 0 HE3 MET B 85 8.658 6.177 0.837 1.00 0.25 H new ATOM 3628 N CYS B 86 4.868 9.600 -0.721 1.00 0.31 N ATOM 3629 CA CYS B 86 4.600 10.363 -1.931 1.00 0.34 C ATOM 3630 C CYS B 86 3.475 11.353 -1.676 1.00 0.39 C ATOM 3631 O CYS B 86 3.448 12.435 -2.252 1.00 0.46 O ATOM 3632 CB CYS B 86 4.217 9.420 -3.077 1.00 0.39 C ATOM 3633 SG CYS B 86 3.801 10.254 -4.626 1.00 0.94 S ATOM 0 H CYS B 86 4.490 8.653 -0.738 1.00 0.31 H new ATOM 0 HA CYS B 86 5.501 10.909 -2.212 1.00 0.34 H new ATOM 0 HB2 CYS B 86 5.045 8.735 -3.259 1.00 0.39 H new ATOM 0 HB3 CYS B 86 3.366 8.816 -2.764 1.00 0.39 H new ATOM 0 HG CYS B 86 3.495 9.368 -5.527 1.00 0.94 H new ATOM 3639 N ASN B 87 2.552 10.962 -0.809 1.00 0.45 N ATOM 3640 CA ASN B 87 1.457 11.826 -0.375 1.00 0.58 C ATOM 3641 C ASN B 87 1.993 13.183 0.083 1.00 0.68 C ATOM 3642 O ASN B 87 1.447 14.227 -0.260 1.00 0.89 O ATOM 3643 CB ASN B 87 0.666 11.152 0.754 1.00 0.72 C ATOM 3644 CG ASN B 87 0.110 12.126 1.782 1.00 1.10 C ATOM 3645 OD1 ASN B 87 0.752 12.405 2.794 1.00 1.72 O ATOM 3646 ND2 ASN B 87 -1.080 12.642 1.539 1.00 1.77 N ATOM 0 H ASN B 87 2.539 10.035 -0.384 1.00 0.45 H new ATOM 0 HA ASN B 87 0.788 11.990 -1.220 1.00 0.58 H new ATOM 0 HB2 ASN B 87 -0.159 10.587 0.320 1.00 0.72 H new ATOM 0 HB3 ASN B 87 1.312 10.435 1.260 1.00 0.72 H new ATOM 0 HD21 ASN B 87 -1.497 13.296 2.201 1.00 1.77 H new ATOM 0 HD22 ASN B 87 -1.583 12.387 0.689 1.00 1.77 H new ATOM 3653 N GLU B 88 3.095 13.151 0.829 1.00 0.70 N ATOM 3654 CA GLU B 88 3.729 14.366 1.332 1.00 0.89 C ATOM 3655 C GLU B 88 4.115 15.279 0.173 1.00 0.86 C ATOM 3656 O GLU B 88 3.953 16.495 0.227 1.00 1.06 O ATOM 3657 CB GLU B 88 4.991 14.006 2.118 1.00 1.03 C ATOM 3658 CG GLU B 88 4.794 12.905 3.147 1.00 1.51 C ATOM 3659 CD GLU B 88 6.108 12.392 3.701 1.00 1.72 C ATOM 3660 OE1 GLU B 88 7.173 12.783 3.175 1.00 1.98 O ATOM 3661 OE2 GLU B 88 6.086 11.590 4.659 1.00 2.33 O ATOM 0 H GLU B 88 3.570 12.290 1.100 1.00 0.70 H new ATOM 0 HA GLU B 88 3.021 14.881 1.981 1.00 0.89 H new ATOM 0 HB2 GLU B 88 5.766 13.697 1.417 1.00 1.03 H new ATOM 0 HB3 GLU B 88 5.357 14.899 2.624 1.00 1.03 H new ATOM 0 HG2 GLU B 88 4.180 13.281 3.965 1.00 1.51 H new ATOM 0 HG3 GLU B 88 4.247 12.079 2.692 1.00 1.51 H new ATOM 3668 N PHE B 89 4.601 14.662 -0.883 1.00 0.69 N ATOM 3669 CA PHE B 89 5.150 15.371 -2.018 1.00 0.71 C ATOM 3670 C PHE B 89 4.089 15.676 -3.073 1.00 0.73 C ATOM 3671 O PHE B 89 3.734 16.830 -3.313 1.00 0.88 O ATOM 3672 CB PHE B 89 6.251 14.514 -2.632 1.00 0.69 C ATOM 3673 CG PHE B 89 6.620 14.922 -4.017 1.00 0.91 C ATOM 3674 CD1 PHE B 89 7.322 16.086 -4.252 1.00 1.65 C ATOM 3675 CD2 PHE B 89 6.226 14.146 -5.087 1.00 1.53 C ATOM 3676 CE1 PHE B 89 7.633 16.472 -5.537 1.00 1.99 C ATOM 3677 CE2 PHE B 89 6.524 14.525 -6.375 1.00 1.89 C ATOM 3678 CZ PHE B 89 7.231 15.692 -6.601 1.00 1.81 C ATOM 0 H PHE B 89 4.626 13.647 -0.978 1.00 0.69 H new ATOM 0 HA PHE B 89 5.544 16.326 -1.672 1.00 0.71 H new ATOM 0 HB2 PHE B 89 7.137 14.566 -1.999 1.00 0.69 H new ATOM 0 HB3 PHE B 89 5.927 13.473 -2.643 1.00 0.69 H new ATOM 0 HD1 PHE B 89 7.631 16.701 -3.420 1.00 1.65 H new ATOM 0 HD2 PHE B 89 5.678 13.232 -4.912 1.00 1.53 H new ATOM 0 HE1 PHE B 89 8.189 17.381 -5.711 1.00 1.99 H new ATOM 0 HE2 PHE B 89 6.207 13.914 -7.207 1.00 1.89 H new ATOM 0 HZ PHE B 89 7.468 15.993 -7.611 1.00 1.81 H new ATOM 3688 N PHE B 90 3.610 14.614 -3.701 1.00 0.63 N ATOM 3689 CA PHE B 90 2.712 14.696 -4.851 1.00 0.66 C ATOM 3690 C PHE B 90 1.428 15.442 -4.513 1.00 0.69 C ATOM 3691 O PHE B 90 0.870 16.150 -5.353 1.00 0.83 O ATOM 3692 CB PHE B 90 2.401 13.279 -5.351 1.00 0.69 C ATOM 3693 CG PHE B 90 1.452 13.223 -6.518 1.00 0.95 C ATOM 3694 CD1 PHE B 90 1.916 13.393 -7.812 1.00 1.79 C ATOM 3695 CD2 PHE B 90 0.100 12.991 -6.319 1.00 1.44 C ATOM 3696 CE1 PHE B 90 1.051 13.333 -8.887 1.00 2.09 C ATOM 3697 CE2 PHE B 90 -0.771 12.930 -7.390 1.00 1.68 C ATOM 3698 CZ PHE B 90 -0.295 13.102 -8.676 1.00 1.67 C ATOM 0 H PHE B 90 3.834 13.658 -3.426 1.00 0.63 H new ATOM 0 HA PHE B 90 3.210 15.261 -5.639 1.00 0.66 H new ATOM 0 HB2 PHE B 90 3.335 12.794 -5.635 1.00 0.69 H new ATOM 0 HB3 PHE B 90 1.980 12.701 -4.528 1.00 0.69 H new ATOM 0 HD1 PHE B 90 2.967 13.575 -7.982 1.00 1.79 H new ATOM 0 HD2 PHE B 90 -0.277 12.856 -5.316 1.00 1.44 H new ATOM 0 HE1 PHE B 90 1.426 13.466 -9.891 1.00 2.09 H new ATOM 0 HE2 PHE B 90 -1.822 12.748 -7.222 1.00 1.68 H new ATOM 0 HZ PHE B 90 -0.974 13.056 -9.515 1.00 1.67 H new