USER MOD reduce.3.24.130724 H: found=0, std=0, add=1556, rem=0, adj=60 USER MOD reduce.3.24.130724 removed 1562 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 64 SER OG : rot 180:sc= 0 USER MOD Set 1.2: C1920 LYS NZ :NH3+ -128:sc= 0.676 (180deg=0) USER MOD Set 2.1: B 18 LYS NZ :NH3+ 171:sc= 1.22 (180deg=1.16) USER MOD Set 2.2: B 19 TYR OH : rot -170:sc= -0.0973 USER MOD Set 3.1: A 12 MET CE :methyl -172:sc= 0 (180deg=-0.146) USER MOD Set 3.2: A 80 SER OG : rot -124:sc= -0.276! USER MOD Set 3.3: B 12 MET CE :methyl -140:sc= -3.3! (180deg=-6.12!) USER MOD Set 3.4: B 80 SER OG : rot -157:sc= -1.56! USER MOD Set 4.1: A 81 CYS SG : rot 96:sc= -6.39! USER MOD Set 4.2: A 84 MET CE :methyl -163:sc= -5.77! (180deg=-6.29!) USER MOD Set 4.3: C1910 MET CE :methyl 173:sc= -4.04! (180deg=-3.89!) USER MOD Set 5.1: A 76 CYS SG : rot -64:sc= -3.03 USER MOD Set 5.2: B 84 MET CE :methyl 156:sc= -6.93! (180deg=-12.2!) USER MOD Set 6.1: A 73 GLN :FLIP amide:sc= -0.0926 F(o=-1.6,f=-0.057) USER MOD Set 6.2: B 87 ASN :FLIP amide:sc= 0.0354 F(o=-1.1,f=-0.057) USER MOD Set 7.1: A 61 ASN : amide:sc= -1.35 X(o=-0.36,f=-0.81) USER MOD Set 7.2: C1904 THR OG1 : rot 7:sc= 0.988 USER MOD Set 8.1: A 18 LYS NZ :NH3+ -177:sc= 1.19 (180deg=1.09) USER MOD Set 8.2: A 19 TYR OH : rot -169:sc= 0.041 USER MOD Single : A 3 CYS SG : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ -168:sc= 1.1 (180deg=0.801) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 83:sc=-0.00875! USER MOD Single : A 17 HIS : no HD1:sc= -0.247 X(o=-0.25,f=0.051) USER MOD Single : A 20 SER OG : rot -103:sc= 1.24 USER MOD Single : A 28 LYS NZ :NH3+ 162:sc= -0.0605 (180deg=-0.365) USER MOD Single : A 30 ASN : amide:sc= -1.52! C(o=-1.5!,f=-5.9!) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 155:sc= 1.17 (180deg=0.89) USER MOD Single : A 39 THR OG1 : rot -5:sc= -0.246 USER MOD Single : A 44 SER OG : rot 59:sc= 0.0931 USER MOD Single : A 48 LYS NZ :NH3+ 168:sc= -0.0409 (180deg=-0.217) USER MOD Single : A 50 THR OG1 : rot 98:sc= -2.62! USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 MET CE :methyl 154:sc= -4.13 (180deg=-5.56!) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot -46:sc= 1.28 USER MOD Single : A 65 ASN : amide:sc= 0.0277 X(o=0.028,f=-0.11) USER MOD Single : A 68 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 TYR OH : rot 100:sc= -0.842 USER MOD Single : A 85 MET CE :methyl -168:sc= -7.07! (180deg=-7.71!) USER MOD Single : A 86 CYS SG : rot 110:sc= -1.39 USER MOD Single : A 87 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 3 CYS SG : rot 180:sc= 0 USER MOD Single : B 7 LYS NZ :NH3+ -173:sc= 1.19 (180deg=0.823) USER MOD Single : B 14 SER OG : rot 180:sc= 0 USER MOD Single : B 15 THR OG1 : rot 85:sc= 0.389 USER MOD Single : B 17 HIS : no HD1:sc= -0.242 X(o=-0.24,f=0.046) USER MOD Single : B 20 SER OG : rot -82:sc= 1.09 USER MOD Single : B 28 LYS NZ :NH3+ -121:sc= 0.602 (180deg=-0.0859) USER MOD Single : B 30 ASN : amide:sc= -1.57! C(o=-1.6!,f=-6.4!) USER MOD Single : B 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 32 SER OG : rot 180:sc= 0 USER MOD Single : B 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 39 THR OG1 : rot -5:sc= -0.0452 USER MOD Single : B 44 SER OG : rot 180:sc= 0.0843 USER MOD Single : B 48 LYS NZ :NH3+ 157:sc= 0.847 (180deg=0.322) USER MOD Single : B 50 THR OG1 : rot 47:sc= 0.139 USER MOD Single : B 56 GLN : amide:sc= 0.852 K(o=0.85,f=-0.55) USER MOD Single : B 57 LYS NZ :NH3+ -163:sc= -0.0861 (180deg=-0.361) USER MOD Single : B 59 MET CE :methyl 153:sc= -3.95 (180deg=-4.96!) USER MOD Single : B 60 SER OG : rot 20:sc= 0.0669 USER MOD Single : B 61 ASN :FLIP amide:sc= -0.322 F(o=-1.3,f=-0.32) USER MOD Single : B 65 ASN : amide:sc= 1.21 K(o=1.2,f=-0.018) USER MOD Single : B 68 ASN :FLIP amide:sc= -0.174 F(o=-1.6!,f=-0.17) USER MOD Single : B 73 GLN : amide:sc= -1.14 K(o=-1.1,f=-2.8!) USER MOD Single : B 75 TYR OH : rot 70:sc= -1.32 USER MOD Single : B 76 CYS SG : rot 68:sc= 0.994 USER MOD Single : B 81 CYS SG : rot -62:sc= -14.5! USER MOD Single : B 85 MET CE :methyl -139:sc=-0.00551 (180deg=-0.963) USER MOD Single : B 86 CYS SG : rot 180:sc= -3.58! USER MOD Single : C1906 THR OG1 : rot 180:sc= 0.114 USER MOD Single : C1911 ASN : amide:sc= 0.198 K(o=0.2,f=-0.71) USER MOD Single : C1915 SER OG : rot 180:sc= 0 USER MOD Single : C1916 SER OG : rot 91:sc= 0.171 USER MOD Single : C1918 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C1919 ASN : amide:sc= -0.0102 X(o=-0.01,f=-0.0028) USER MOD ----------------------------------------------------------------- ATOM 44 N GLU C1899 -14.724 -8.812 1.395 1.00 0.40 N ATOM 45 CA GLU C1899 -13.352 -9.173 1.682 1.00 0.29 C ATOM 46 C GLU C1899 -12.730 -8.162 2.631 1.00 0.24 C ATOM 47 O GLU C1899 -11.867 -8.493 3.442 1.00 0.27 O ATOM 48 CB GLU C1899 -12.587 -9.148 0.372 1.00 0.30 C ATOM 49 CG GLU C1899 -13.060 -8.009 -0.521 1.00 0.35 C ATOM 50 CD GLU C1899 -14.105 -8.456 -1.518 1.00 0.62 C ATOM 51 OE1 GLU C1899 -13.740 -8.989 -2.575 1.00 0.76 O ATOM 52 OE2 GLU C1899 -15.307 -8.288 -1.217 1.00 0.97 O ATOM 0 HA GLU C1899 -13.316 -10.159 2.145 1.00 0.29 H new ATOM 0 HB2 GLU C1899 -11.521 -9.038 0.572 1.00 0.30 H new ATOM 0 HB3 GLU C1899 -12.717 -10.098 -0.146 1.00 0.30 H new ATOM 0 HG2 GLU C1899 -13.470 -7.211 0.098 1.00 0.35 H new ATOM 0 HG3 GLU C1899 -12.207 -7.591 -1.055 1.00 0.35 H new ATOM 59 N LEU C1900 -13.198 -6.920 2.518 1.00 0.24 N ATOM 60 CA LEU C1900 -12.639 -5.808 3.265 1.00 0.25 C ATOM 61 C LEU C1900 -12.710 -6.058 4.776 1.00 0.28 C ATOM 62 O LEU C1900 -11.884 -5.548 5.524 1.00 0.44 O ATOM 63 CB LEU C1900 -13.340 -4.482 2.905 1.00 0.33 C ATOM 64 CG LEU C1900 -12.933 -3.816 1.583 1.00 0.20 C ATOM 65 CD1 LEU C1900 -11.429 -3.772 1.421 1.00 0.22 C ATOM 66 CD2 LEU C1900 -13.590 -4.462 0.400 1.00 0.31 C ATOM 0 H LEU C1900 -13.973 -6.663 1.907 1.00 0.24 H new ATOM 0 HA LEU C1900 -11.589 -5.726 2.984 1.00 0.25 H new ATOM 0 HB2 LEU C1900 -14.414 -4.664 2.876 1.00 0.33 H new ATOM 0 HB3 LEU C1900 -13.158 -3.772 3.712 1.00 0.33 H new ATOM 0 HG LEU C1900 -13.291 -2.787 1.626 1.00 0.20 H new ATOM 0 HD11 LEU C1900 -11.179 -3.294 0.474 1.00 0.22 H new ATOM 0 HD12 LEU C1900 -10.991 -3.203 2.241 1.00 0.22 H new ATOM 0 HD13 LEU C1900 -11.032 -4.787 1.431 1.00 0.22 H new ATOM 0 HD21 LEU C1900 -13.273 -3.958 -0.513 1.00 0.31 H new ATOM 0 HD22 LEU C1900 -13.303 -5.512 0.353 1.00 0.31 H new ATOM 0 HD23 LEU C1900 -14.673 -4.386 0.499 1.00 0.31 H new ATOM 78 N GLU C1901 -13.669 -6.874 5.214 1.00 0.27 N ATOM 79 CA GLU C1901 -13.822 -7.170 6.638 1.00 0.34 C ATOM 80 C GLU C1901 -12.547 -7.778 7.207 1.00 0.37 C ATOM 81 O GLU C1901 -12.064 -7.355 8.253 1.00 0.52 O ATOM 82 CB GLU C1901 -14.991 -8.124 6.874 1.00 0.48 C ATOM 83 CG GLU C1901 -15.213 -8.461 8.342 1.00 1.00 C ATOM 84 CD GLU C1901 -16.275 -9.521 8.551 1.00 1.11 C ATOM 85 OE1 GLU C1901 -17.469 -9.164 8.649 1.00 1.44 O ATOM 86 OE2 GLU C1901 -15.915 -10.715 8.634 1.00 1.48 O ATOM 0 H GLU C1901 -14.346 -7.338 4.609 1.00 0.27 H new ATOM 0 HA GLU C1901 -14.024 -6.228 7.149 1.00 0.34 H new ATOM 0 HB2 GLU C1901 -15.900 -7.679 6.470 1.00 0.48 H new ATOM 0 HB3 GLU C1901 -14.815 -9.046 6.320 1.00 0.48 H new ATOM 0 HG2 GLU C1901 -14.274 -8.804 8.776 1.00 1.00 H new ATOM 0 HG3 GLU C1901 -15.500 -7.556 8.878 1.00 1.00 H new ATOM 93 N ASP C1902 -12.009 -8.768 6.508 1.00 0.37 N ATOM 94 CA ASP C1902 -10.778 -9.422 6.934 1.00 0.46 C ATOM 95 C ASP C1902 -9.574 -8.661 6.411 1.00 0.44 C ATOM 96 O ASP C1902 -8.562 -8.520 7.098 1.00 0.58 O ATOM 97 CB ASP C1902 -10.720 -10.867 6.428 1.00 0.60 C ATOM 98 CG ASP C1902 -11.858 -11.724 6.935 1.00 1.18 C ATOM 99 OD1 ASP C1902 -11.796 -12.187 8.090 1.00 1.42 O ATOM 100 OD2 ASP C1902 -12.822 -11.949 6.173 1.00 2.01 O ATOM 0 H ASP C1902 -12.405 -9.136 5.643 1.00 0.37 H new ATOM 0 HA ASP C1902 -10.763 -9.430 8.024 1.00 0.46 H new ATOM 0 HB2 ASP C1902 -10.734 -10.864 5.338 1.00 0.60 H new ATOM 0 HB3 ASP C1902 -9.774 -11.314 6.733 1.00 0.60 H new ATOM 105 N ALA C1903 -9.703 -8.161 5.190 1.00 0.36 N ATOM 106 CA ALA C1903 -8.614 -7.482 4.506 1.00 0.46 C ATOM 107 C ALA C1903 -8.178 -6.225 5.245 1.00 0.37 C ATOM 108 O ALA C1903 -7.066 -6.152 5.773 1.00 0.37 O ATOM 109 CB ALA C1903 -9.039 -7.129 3.092 1.00 0.66 C ATOM 0 H ALA C1903 -10.565 -8.215 4.647 1.00 0.36 H new ATOM 0 HA ALA C1903 -7.762 -8.161 4.478 1.00 0.46 H new ATOM 0 HB1 ALA C1903 -8.221 -6.620 2.582 1.00 0.66 H new ATOM 0 HB2 ALA C1903 -9.293 -8.040 2.550 1.00 0.66 H new ATOM 0 HB3 ALA C1903 -9.909 -6.473 3.127 1.00 0.66 H new ATOM 115 N THR C1904 -9.066 -5.243 5.301 1.00 0.37 N ATOM 116 CA THR C1904 -8.713 -3.941 5.831 1.00 0.36 C ATOM 117 C THR C1904 -8.866 -3.882 7.348 1.00 0.34 C ATOM 118 O THR C1904 -8.621 -2.852 7.965 1.00 0.36 O ATOM 119 CB THR C1904 -9.528 -2.828 5.148 1.00 0.40 C ATOM 120 OG1 THR C1904 -10.921 -3.161 5.125 1.00 0.42 O ATOM 121 CG2 THR C1904 -9.040 -2.618 3.724 1.00 0.40 C ATOM 0 H THR C1904 -10.033 -5.326 4.986 1.00 0.37 H new ATOM 0 HA THR C1904 -7.659 -3.776 5.608 1.00 0.36 H new ATOM 0 HB THR C1904 -9.391 -1.910 5.720 1.00 0.40 H new ATOM 0 HG1 THR C1904 -11.072 -3.972 5.654 1.00 0.42 H new ATOM 0 HG21 THR C1904 -9.624 -1.828 3.252 1.00 0.40 H new ATOM 0 HG22 THR C1904 -7.988 -2.332 3.738 1.00 0.40 H new ATOM 0 HG23 THR C1904 -9.157 -3.543 3.159 1.00 0.40 H new ATOM 129 N GLU C1905 -9.263 -4.995 7.947 1.00 0.32 N ATOM 130 CA GLU C1905 -9.205 -5.145 9.396 1.00 0.32 C ATOM 131 C GLU C1905 -7.794 -4.833 9.860 1.00 0.28 C ATOM 132 O GLU C1905 -7.563 -4.080 10.809 1.00 0.32 O ATOM 133 CB GLU C1905 -9.514 -6.583 9.766 1.00 0.36 C ATOM 134 CG GLU C1905 -9.517 -6.866 11.263 1.00 0.62 C ATOM 135 CD GLU C1905 -10.703 -6.259 11.981 1.00 1.25 C ATOM 136 OE1 GLU C1905 -11.753 -6.930 12.064 1.00 2.06 O ATOM 137 OE2 GLU C1905 -10.594 -5.117 12.476 1.00 1.76 O ATOM 0 H GLU C1905 -9.629 -5.809 7.453 1.00 0.32 H new ATOM 0 HA GLU C1905 -9.926 -4.473 9.863 1.00 0.32 H new ATOM 0 HB2 GLU C1905 -10.489 -6.848 9.357 1.00 0.36 H new ATOM 0 HB3 GLU C1905 -8.781 -7.233 9.288 1.00 0.36 H new ATOM 0 HG2 GLU C1905 -9.517 -7.944 11.423 1.00 0.62 H new ATOM 0 HG3 GLU C1905 -8.597 -6.478 11.702 1.00 0.62 H new ATOM 144 N THR C1906 -6.854 -5.423 9.140 1.00 0.25 N ATOM 145 CA THR C1906 -5.446 -5.294 9.425 1.00 0.24 C ATOM 146 C THR C1906 -4.928 -3.913 9.040 1.00 0.21 C ATOM 147 O THR C1906 -3.779 -3.574 9.327 1.00 0.19 O ATOM 148 CB THR C1906 -4.664 -6.368 8.652 1.00 0.29 C ATOM 149 OG1 THR C1906 -5.578 -7.370 8.175 1.00 0.48 O ATOM 150 CG2 THR C1906 -3.625 -7.024 9.540 1.00 0.47 C ATOM 0 H THR C1906 -7.057 -6.011 8.332 1.00 0.25 H new ATOM 0 HA THR C1906 -5.302 -5.427 10.497 1.00 0.24 H new ATOM 0 HB THR C1906 -4.156 -5.891 7.814 1.00 0.29 H new ATOM 0 HG1 THR C1906 -5.083 -8.056 7.680 1.00 0.48 H new ATOM 0 HG21 THR C1906 -3.085 -7.780 8.970 1.00 0.47 H new ATOM 0 HG22 THR C1906 -2.924 -6.270 9.898 1.00 0.47 H new ATOM 0 HG23 THR C1906 -4.118 -7.494 10.391 1.00 0.47 H new ATOM 158 N ALA C1907 -5.775 -3.112 8.393 1.00 0.23 N ATOM 159 CA ALA C1907 -5.371 -1.781 7.972 1.00 0.21 C ATOM 160 C ALA C1907 -5.070 -0.914 9.180 1.00 0.21 C ATOM 161 O ALA C1907 -4.035 -0.252 9.242 1.00 0.21 O ATOM 162 CB ALA C1907 -6.421 -1.119 7.085 1.00 0.22 C ATOM 0 H ALA C1907 -6.734 -3.363 8.153 1.00 0.23 H new ATOM 0 HA ALA C1907 -4.464 -1.887 7.376 1.00 0.21 H new ATOM 0 HB1 ALA C1907 -6.078 -0.126 6.794 1.00 0.22 H new ATOM 0 HB2 ALA C1907 -6.578 -1.725 6.193 1.00 0.22 H new ATOM 0 HB3 ALA C1907 -7.359 -1.032 7.634 1.00 0.22 H new ATOM 168 N ASP C1908 -5.976 -0.938 10.148 1.00 0.24 N ATOM 169 CA ASP C1908 -5.774 -0.225 11.402 1.00 0.26 C ATOM 170 C ASP C1908 -4.450 -0.638 12.049 1.00 0.27 C ATOM 171 O ASP C1908 -3.745 0.197 12.623 1.00 0.34 O ATOM 172 CB ASP C1908 -6.940 -0.496 12.353 1.00 0.33 C ATOM 173 CG ASP C1908 -6.793 0.212 13.686 1.00 0.44 C ATOM 174 OD1 ASP C1908 -6.197 -0.377 14.610 1.00 0.68 O ATOM 175 OD2 ASP C1908 -7.298 1.343 13.825 1.00 0.58 O ATOM 0 H ASP C1908 -6.859 -1.444 10.089 1.00 0.24 H new ATOM 0 HA ASP C1908 -5.733 0.844 11.192 1.00 0.26 H new ATOM 0 HB2 ASP C1908 -7.869 -0.179 11.880 1.00 0.33 H new ATOM 0 HB3 ASP C1908 -7.020 -1.569 12.525 1.00 0.33 H new ATOM 180 N ALA C1909 -4.105 -1.921 11.924 1.00 0.23 N ATOM 181 CA ALA C1909 -2.841 -2.435 12.455 1.00 0.24 C ATOM 182 C ALA C1909 -1.645 -1.840 11.706 1.00 0.22 C ATOM 183 O ALA C1909 -0.817 -1.147 12.303 1.00 0.24 O ATOM 184 CB ALA C1909 -2.814 -3.957 12.384 1.00 0.27 C ATOM 0 H ALA C1909 -4.682 -2.622 11.460 1.00 0.23 H new ATOM 0 HA ALA C1909 -2.766 -2.134 13.500 1.00 0.24 H new ATOM 0 HB1 ALA C1909 -1.868 -4.323 12.782 1.00 0.27 H new ATOM 0 HB2 ALA C1909 -3.637 -4.363 12.972 1.00 0.27 H new ATOM 0 HB3 ALA C1909 -2.918 -4.275 11.347 1.00 0.27 H new ATOM 190 N MET C1910 -1.561 -2.113 10.399 1.00 0.19 N ATOM 191 CA MET C1910 -0.527 -1.535 9.534 1.00 0.19 C ATOM 192 C MET C1910 -0.375 -0.030 9.722 1.00 0.19 C ATOM 193 O MET C1910 0.701 0.504 9.542 1.00 0.22 O ATOM 194 CB MET C1910 -0.839 -1.834 8.059 1.00 0.18 C ATOM 195 CG MET C1910 -0.037 -0.997 7.053 1.00 0.20 C ATOM 196 SD MET C1910 -0.339 -1.504 5.355 1.00 0.20 S ATOM 197 CE MET C1910 0.072 -3.246 5.443 1.00 0.14 C ATOM 0 H MET C1910 -2.205 -2.738 9.913 1.00 0.19 H new ATOM 0 HA MET C1910 0.416 -2.000 9.822 1.00 0.19 H new ATOM 0 HB2 MET C1910 -0.647 -2.890 7.868 1.00 0.18 H new ATOM 0 HB3 MET C1910 -1.902 -1.667 7.885 1.00 0.18 H new ATOM 0 HG2 MET C1910 -0.298 0.055 7.168 1.00 0.20 H new ATOM 0 HG3 MET C1910 1.027 -1.087 7.274 1.00 0.20 H new ATOM 0 HE1 MET C1910 -0.183 -3.728 4.499 1.00 0.14 H new ATOM 0 HE2 MET C1910 1.140 -3.359 5.631 1.00 0.14 H new ATOM 0 HE3 MET C1910 -0.490 -3.712 6.252 1.00 0.14 H new ATOM 207 N ASN C1911 -1.432 0.661 10.094 1.00 0.21 N ATOM 208 CA ASN C1911 -1.371 2.114 10.177 1.00 0.22 C ATOM 209 C ASN C1911 -0.458 2.586 11.302 1.00 0.23 C ATOM 210 O ASN C1911 0.126 3.667 11.226 1.00 0.27 O ATOM 211 CB ASN C1911 -2.756 2.701 10.360 1.00 0.24 C ATOM 212 CG ASN C1911 -2.773 4.164 10.010 1.00 0.25 C ATOM 213 OD1 ASN C1911 -2.627 5.032 10.870 1.00 0.42 O ATOM 214 ND2 ASN C1911 -2.919 4.437 8.733 1.00 0.25 N ATOM 0 H ASN C1911 -2.333 0.252 10.341 1.00 0.21 H new ATOM 0 HA ASN C1911 -0.952 2.467 9.235 1.00 0.22 H new ATOM 0 HB2 ASN C1911 -3.468 2.165 9.732 1.00 0.24 H new ATOM 0 HB3 ASN C1911 -3.078 2.567 11.393 1.00 0.24 H new ATOM 0 HD21 ASN C1911 -2.915 5.406 8.415 1.00 0.25 H new ATOM 0 HD22 ASN C1911 -3.037 3.680 8.060 1.00 0.25 H new ATOM 221 N ARG C1912 -0.314 1.773 12.333 1.00 0.23 N ATOM 222 CA ARG C1912 0.537 2.117 13.448 1.00 0.26 C ATOM 223 C ARG C1912 1.995 2.002 13.039 1.00 0.28 C ATOM 224 O ARG C1912 2.820 2.858 13.358 1.00 0.38 O ATOM 225 CB ARG C1912 0.227 1.200 14.625 1.00 0.30 C ATOM 226 CG ARG C1912 -0.928 1.674 15.497 1.00 0.75 C ATOM 227 CD ARG C1912 -2.164 2.018 14.682 1.00 1.46 C ATOM 228 NE ARG C1912 -2.482 3.445 14.734 1.00 2.17 N ATOM 229 CZ ARG C1912 -3.473 4.006 14.044 1.00 2.91 C ATOM 230 NH1 ARG C1912 -4.259 3.255 13.286 1.00 3.13 N ATOM 231 NH2 ARG C1912 -3.692 5.314 14.123 1.00 3.76 N ATOM 0 H ARG C1912 -0.778 0.869 12.417 1.00 0.23 H new ATOM 0 HA ARG C1912 0.349 3.147 13.751 1.00 0.26 H new ATOM 0 HB2 ARG C1912 -0.004 0.205 14.245 1.00 0.30 H new ATOM 0 HB3 ARG C1912 1.120 1.106 15.243 1.00 0.30 H new ATOM 0 HG2 ARG C1912 -1.177 0.897 16.220 1.00 0.75 H new ATOM 0 HG3 ARG C1912 -0.615 2.550 16.066 1.00 0.75 H new ATOM 0 HD2 ARG C1912 -2.008 1.720 13.645 1.00 1.46 H new ATOM 0 HD3 ARG C1912 -3.013 1.445 15.054 1.00 1.46 H new ATOM 0 HE ARG C1912 -1.913 4.044 15.332 1.00 2.17 H new ATOM 0 HH11 ARG C1912 -4.105 2.248 13.232 1.00 3.13 H new ATOM 0 HH12 ARG C1912 -5.018 3.684 12.757 1.00 3.13 H new ATOM 0 HH21 ARG C1912 -3.099 5.896 14.715 1.00 3.76 H new ATOM 0 HH22 ARG C1912 -4.453 5.737 13.591 1.00 3.76 H new ATOM 245 N GLU C1913 2.298 0.951 12.299 1.00 0.23 N ATOM 246 CA GLU C1913 3.642 0.744 11.799 1.00 0.25 C ATOM 247 C GLU C1913 3.903 1.632 10.592 1.00 0.22 C ATOM 248 O GLU C1913 4.972 2.180 10.467 1.00 0.27 O ATOM 249 CB GLU C1913 3.855 -0.722 11.427 1.00 0.29 C ATOM 250 CG GLU C1913 2.900 -1.209 10.355 1.00 0.29 C ATOM 251 CD GLU C1913 3.033 -2.684 10.064 1.00 0.39 C ATOM 252 OE1 GLU C1913 3.474 -3.432 10.958 1.00 0.79 O ATOM 253 OE2 GLU C1913 2.729 -3.091 8.923 1.00 0.57 O ATOM 0 H GLU C1913 1.630 0.228 12.032 1.00 0.23 H new ATOM 0 HA GLU C1913 4.345 1.010 12.588 1.00 0.25 H new ATOM 0 HB2 GLU C1913 4.880 -0.858 11.081 1.00 0.29 H new ATOM 0 HB3 GLU C1913 3.736 -1.338 12.318 1.00 0.29 H new ATOM 0 HG2 GLU C1913 1.877 -0.998 10.666 1.00 0.29 H new ATOM 0 HG3 GLU C1913 3.077 -0.647 9.438 1.00 0.29 H new ATOM 260 N VAL C1914 2.897 1.801 9.738 1.00 0.19 N ATOM 261 CA VAL C1914 3.045 2.512 8.468 1.00 0.20 C ATOM 262 C VAL C1914 3.516 3.935 8.682 1.00 0.18 C ATOM 263 O VAL C1914 4.302 4.456 7.910 1.00 0.20 O ATOM 264 CB VAL C1914 1.712 2.519 7.666 1.00 0.24 C ATOM 265 CG1 VAL C1914 0.768 3.602 8.141 1.00 0.26 C ATOM 266 CG2 VAL C1914 1.952 2.678 6.183 1.00 0.29 C ATOM 0 H VAL C1914 1.954 1.449 9.906 1.00 0.19 H new ATOM 0 HA VAL C1914 3.800 1.977 7.892 1.00 0.20 H new ATOM 0 HB VAL C1914 1.247 1.550 7.847 1.00 0.24 H new ATOM 0 HG11 VAL C1914 -0.149 3.569 7.553 1.00 0.26 H new ATOM 0 HG12 VAL C1914 0.530 3.442 9.193 1.00 0.26 H new ATOM 0 HG13 VAL C1914 1.242 4.576 8.020 1.00 0.26 H new ATOM 0 HG21 VAL C1914 0.997 2.678 5.658 1.00 0.29 H new ATOM 0 HG22 VAL C1914 2.469 3.620 5.997 1.00 0.29 H new ATOM 0 HG23 VAL C1914 2.564 1.851 5.823 1.00 0.29 H new ATOM 276 N SER C1915 3.054 4.559 9.738 1.00 0.21 N ATOM 277 CA SER C1915 3.418 5.924 9.987 1.00 0.28 C ATOM 278 C SER C1915 4.844 5.992 10.527 1.00 0.28 C ATOM 279 O SER C1915 5.573 6.940 10.260 1.00 0.36 O ATOM 280 CB SER C1915 2.408 6.550 10.927 1.00 0.36 C ATOM 281 OG SER C1915 2.744 7.886 11.248 1.00 1.31 O ATOM 0 H SER C1915 2.431 4.144 10.431 1.00 0.21 H new ATOM 0 HA SER C1915 3.402 6.496 9.059 1.00 0.28 H new ATOM 0 HB2 SER C1915 1.420 6.524 10.468 1.00 0.36 H new ATOM 0 HB3 SER C1915 2.349 5.960 11.842 1.00 0.36 H new ATOM 0 HG SER C1915 2.069 8.256 11.854 1.00 1.31 H new ATOM 287 N SER C1916 5.243 4.960 11.262 1.00 0.25 N ATOM 288 CA SER C1916 6.604 4.838 11.754 1.00 0.27 C ATOM 289 C SER C1916 7.540 4.387 10.624 1.00 0.27 C ATOM 290 O SER C1916 8.614 4.950 10.424 1.00 0.29 O ATOM 291 CB SER C1916 6.611 3.831 12.898 1.00 0.31 C ATOM 292 OG SER C1916 5.638 4.177 13.872 1.00 1.04 O ATOM 0 H SER C1916 4.632 4.189 11.531 1.00 0.25 H new ATOM 0 HA SER C1916 6.962 5.803 12.113 1.00 0.27 H new ATOM 0 HB2 SER C1916 6.408 2.832 12.512 1.00 0.31 H new ATOM 0 HB3 SER C1916 7.599 3.801 13.357 1.00 0.31 H new ATOM 0 HG SER C1916 4.788 3.739 13.656 1.00 1.04 H new ATOM 298 N LEU C1917 7.099 3.363 9.907 1.00 0.30 N ATOM 299 CA LEU C1917 7.757 2.844 8.716 1.00 0.30 C ATOM 300 C LEU C1917 7.969 3.985 7.715 1.00 0.26 C ATOM 301 O LEU C1917 9.102 4.335 7.394 1.00 0.26 O ATOM 302 CB LEU C1917 6.861 1.705 8.142 1.00 0.42 C ATOM 303 CG LEU C1917 7.263 0.972 6.832 1.00 0.57 C ATOM 304 CD1 LEU C1917 8.260 1.731 6.008 1.00 1.25 C ATOM 305 CD2 LEU C1917 7.764 -0.430 7.085 1.00 1.16 C ATOM 0 H LEU C1917 6.247 2.855 10.145 1.00 0.30 H new ATOM 0 HA LEU C1917 8.741 2.434 8.942 1.00 0.30 H new ATOM 0 HB2 LEU C1917 6.767 0.947 8.919 1.00 0.42 H new ATOM 0 HB3 LEU C1917 5.868 2.125 7.984 1.00 0.42 H new ATOM 0 HG LEU C1917 6.340 0.910 6.255 1.00 0.57 H new ATOM 0 HD11 LEU C1917 8.496 1.163 5.108 1.00 1.25 H new ATOM 0 HD12 LEU C1917 7.840 2.697 5.727 1.00 1.25 H new ATOM 0 HD13 LEU C1917 9.169 1.886 6.589 1.00 1.25 H new ATOM 0 HD21 LEU C1917 8.031 -0.897 6.137 1.00 1.16 H new ATOM 0 HD22 LEU C1917 8.641 -0.392 7.731 1.00 1.16 H new ATOM 0 HD23 LEU C1917 6.982 -1.014 7.570 1.00 1.16 H new ATOM 317 N LYS C1918 6.887 4.559 7.218 1.00 0.28 N ATOM 318 CA LYS C1918 6.985 5.620 6.228 1.00 0.29 C ATOM 319 C LYS C1918 7.883 6.758 6.727 1.00 0.32 C ATOM 320 O LYS C1918 8.570 7.402 5.943 1.00 0.38 O ATOM 321 CB LYS C1918 5.585 6.104 5.837 1.00 0.39 C ATOM 322 CG LYS C1918 5.480 7.563 5.468 1.00 0.29 C ATOM 323 CD LYS C1918 4.968 8.367 6.649 1.00 0.40 C ATOM 324 CE LYS C1918 5.294 9.837 6.474 1.00 0.69 C ATOM 325 NZ LYS C1918 4.766 10.674 7.585 1.00 1.36 N ATOM 0 H LYS C1918 5.934 4.310 7.482 1.00 0.28 H new ATOM 0 HA LYS C1918 7.459 5.226 5.329 1.00 0.29 H new ATOM 0 HB2 LYS C1918 5.236 5.508 4.993 1.00 0.39 H new ATOM 0 HB3 LYS C1918 4.907 5.908 6.668 1.00 0.39 H new ATOM 0 HG2 LYS C1918 6.455 7.938 5.159 1.00 0.29 H new ATOM 0 HG3 LYS C1918 4.808 7.683 4.618 1.00 0.29 H new ATOM 0 HD2 LYS C1918 3.890 8.237 6.745 1.00 0.40 H new ATOM 0 HD3 LYS C1918 5.417 7.996 7.570 1.00 0.40 H new ATOM 0 HE2 LYS C1918 6.375 9.961 6.412 1.00 0.69 H new ATOM 0 HE3 LYS C1918 4.878 10.188 5.530 1.00 0.69 H new ATOM 0 HZ1 LYS C1918 5.015 11.670 7.418 1.00 1.36 H new ATOM 0 HZ2 LYS C1918 3.731 10.579 7.630 1.00 1.36 H new ATOM 0 HZ3 LYS C1918 5.182 10.359 8.485 1.00 1.36 H new ATOM 339 N ASN C1919 7.913 6.953 8.040 1.00 0.31 N ATOM 340 CA ASN C1919 8.742 7.984 8.653 1.00 0.33 C ATOM 341 C ASN C1919 10.206 7.548 8.765 1.00 0.32 C ATOM 342 O ASN C1919 11.095 8.394 8.813 1.00 0.41 O ATOM 343 CB ASN C1919 8.195 8.350 10.039 1.00 0.37 C ATOM 344 CG ASN C1919 9.003 9.432 10.733 1.00 0.43 C ATOM 345 OD1 ASN C1919 8.781 10.623 10.516 1.00 1.05 O ATOM 346 ND2 ASN C1919 9.928 9.026 11.591 1.00 1.15 N ATOM 0 H ASN C1919 7.368 6.405 8.706 1.00 0.31 H new ATOM 0 HA ASN C1919 8.706 8.860 8.006 1.00 0.33 H new ATOM 0 HB2 ASN C1919 7.162 8.684 9.939 1.00 0.37 H new ATOM 0 HB3 ASN C1919 8.182 7.458 10.665 1.00 0.37 H new ATOM 0 HD21 ASN C1919 10.487 9.711 12.100 1.00 1.15 H new ATOM 0 HD22 ASN C1919 10.081 8.029 11.742 1.00 1.15 H new ATOM 353 N LYS C1920 10.482 6.240 8.772 1.00 0.28 N ATOM 354 CA LYS C1920 11.835 5.786 8.943 1.00 0.37 C ATOM 355 C LYS C1920 12.469 5.680 7.569 1.00 0.41 C ATOM 356 O LYS C1920 13.685 5.747 7.411 1.00 0.53 O ATOM 357 CB LYS C1920 11.866 4.460 9.714 1.00 0.48 C ATOM 358 CG LYS C1920 11.147 3.304 9.034 1.00 0.33 C ATOM 359 CD LYS C1920 11.132 2.057 9.912 1.00 0.44 C ATOM 360 CE LYS C1920 12.509 1.724 10.467 1.00 1.36 C ATOM 361 NZ LYS C1920 12.497 0.462 11.256 1.00 1.64 N ATOM 0 H LYS C1920 9.788 5.500 8.662 1.00 0.28 H new ATOM 0 HA LYS C1920 12.410 6.493 9.540 1.00 0.37 H new ATOM 0 HB2 LYS C1920 12.906 4.176 9.877 1.00 0.48 H new ATOM 0 HB3 LYS C1920 11.421 4.618 10.696 1.00 0.48 H new ATOM 0 HG2 LYS C1920 10.124 3.598 8.801 1.00 0.33 H new ATOM 0 HG3 LYS C1920 11.637 3.077 8.087 1.00 0.33 H new ATOM 0 HD2 LYS C1920 10.436 2.205 10.738 1.00 0.44 H new ATOM 0 HD3 LYS C1920 10.762 1.211 9.332 1.00 0.44 H new ATOM 0 HE2 LYS C1920 13.219 1.632 9.645 1.00 1.36 H new ATOM 0 HE3 LYS C1920 12.855 2.543 11.097 1.00 1.36 H new ATOM 0 HZ1 LYS C1920 12.924 0.632 12.189 1.00 1.64 H new ATOM 0 HZ2 LYS C1920 11.516 0.138 11.377 1.00 1.64 H new ATOM 0 HZ3 LYS C1920 13.043 -0.267 10.753 1.00 1.64 H new ATOM 375 N LEU C1921 11.611 5.554 6.568 1.00 0.38 N ATOM 376 CA LEU C1921 12.031 5.688 5.189 1.00 0.46 C ATOM 377 C LEU C1921 12.254 7.168 4.899 1.00 0.59 C ATOM 378 O LEU C1921 13.123 7.551 4.118 1.00 0.92 O ATOM 379 CB LEU C1921 10.978 5.098 4.241 1.00 0.44 C ATOM 380 CG LEU C1921 10.498 3.681 4.591 1.00 0.38 C ATOM 381 CD1 LEU C1921 9.741 3.056 3.427 1.00 0.40 C ATOM 382 CD2 LEU C1921 11.659 2.790 5.002 1.00 0.48 C ATOM 0 H LEU C1921 10.617 5.359 6.690 1.00 0.38 H new ATOM 0 HA LEU C1921 12.957 5.137 5.028 1.00 0.46 H new ATOM 0 HB2 LEU C1921 10.114 5.763 4.226 1.00 0.44 H new ATOM 0 HB3 LEU C1921 11.389 5.085 3.231 1.00 0.44 H new ATOM 0 HG LEU C1921 9.818 3.768 5.439 1.00 0.38 H new ATOM 0 HD11 LEU C1921 9.413 2.054 3.703 1.00 0.40 H new ATOM 0 HD12 LEU C1921 8.872 3.669 3.187 1.00 0.40 H new ATOM 0 HD13 LEU C1921 10.395 2.997 2.557 1.00 0.40 H new ATOM 0 HD21 LEU C1921 11.286 1.795 5.243 1.00 0.48 H new ATOM 0 HD22 LEU C1921 12.373 2.721 4.181 1.00 0.48 H new ATOM 0 HD23 LEU C1921 12.152 3.215 5.877 1.00 0.48 H new ATOM 394 N ARG C1922 11.463 7.993 5.578 1.00 0.49 N ATOM 395 CA ARG C1922 11.595 9.446 5.525 1.00 0.66 C ATOM 396 C ARG C1922 12.758 9.946 6.386 1.00 0.65 C ATOM 397 O ARG C1922 13.000 11.152 6.466 1.00 0.78 O ATOM 398 CB ARG C1922 10.296 10.109 6.003 1.00 0.87 C ATOM 399 CG ARG C1922 9.178 10.130 4.971 1.00 1.15 C ATOM 400 CD ARG C1922 9.630 10.750 3.661 1.00 1.07 C ATOM 401 NE ARG C1922 10.221 12.068 3.846 1.00 1.64 N ATOM 402 CZ ARG C1922 11.416 12.412 3.383 1.00 2.45 C ATOM 403 NH1 ARG C1922 12.141 11.536 2.700 1.00 2.92 N ATOM 404 NH2 ARG C1922 11.882 13.630 3.603 1.00 3.23 N ATOM 0 H ARG C1922 10.708 7.671 6.184 1.00 0.49 H new ATOM 0 HA ARG C1922 11.797 9.716 4.488 1.00 0.66 H new ATOM 0 HB2 ARG C1922 9.942 9.586 6.892 1.00 0.87 H new ATOM 0 HB3 ARG C1922 10.516 11.134 6.302 1.00 0.87 H new ATOM 0 HG2 ARG C1922 8.831 9.113 4.791 1.00 1.15 H new ATOM 0 HG3 ARG C1922 8.330 10.691 5.365 1.00 1.15 H new ATOM 0 HD2 ARG C1922 10.356 10.093 3.183 1.00 1.07 H new ATOM 0 HD3 ARG C1922 8.778 10.828 2.986 1.00 1.07 H new ATOM 0 HE ARG C1922 9.686 12.767 4.361 1.00 1.64 H new ATOM 0 HH11 ARG C1922 11.780 10.597 2.530 1.00 2.92 H new ATOM 0 HH12 ARG C1922 13.059 11.801 2.344 1.00 2.92 H new ATOM 0 HH21 ARG C1922 11.323 14.303 4.128 1.00 3.23 H new ATOM 0 HH22 ARG C1922 12.800 13.897 3.248 1.00 3.23 H new ATOM 461 N LEU C1926 17.498 5.890 3.954 1.00 0.64 N ATOM 462 CA LEU C1926 16.990 5.127 2.827 1.00 0.60 C ATOM 463 C LEU C1926 17.733 5.413 1.530 1.00 0.54 C ATOM 464 O LEU C1926 17.977 6.566 1.172 1.00 0.72 O ATOM 465 CB LEU C1926 15.502 5.396 2.626 1.00 0.93 C ATOM 466 CG LEU C1926 14.549 4.504 3.423 1.00 0.48 C ATOM 467 CD1 LEU C1926 13.512 3.913 2.486 1.00 0.56 C ATOM 468 CD2 LEU C1926 15.304 3.398 4.143 1.00 0.57 C ATOM 0 HA LEU C1926 17.152 4.078 3.073 1.00 0.60 H new ATOM 0 HB2 LEU C1926 15.302 6.435 2.888 1.00 0.93 H new ATOM 0 HB3 LEU C1926 15.272 5.285 1.566 1.00 0.93 H new ATOM 0 HG LEU C1926 14.052 5.111 4.180 1.00 0.48 H new ATOM 0 HD11 LEU C1926 12.831 3.277 3.051 1.00 0.56 H new ATOM 0 HD12 LEU C1926 12.948 4.717 2.013 1.00 0.56 H new ATOM 0 HD13 LEU C1926 14.010 3.320 1.719 1.00 0.56 H new ATOM 0 HD21 LEU C1926 14.600 2.780 4.701 1.00 0.57 H new ATOM 0 HD22 LEU C1926 15.829 2.781 3.413 1.00 0.57 H new ATOM 0 HD23 LEU C1926 16.025 3.838 4.832 1.00 0.57 H new ATOM 480 N PRO C1927 18.103 4.338 0.818 1.00 0.46 N ATOM 481 CA PRO C1927 18.611 4.423 -0.550 1.00 0.55 C ATOM 482 C PRO C1927 17.493 4.669 -1.545 1.00 0.63 C ATOM 483 O PRO C1927 17.740 4.982 -2.709 1.00 1.12 O ATOM 484 CB PRO C1927 19.206 3.040 -0.802 1.00 0.54 C ATOM 485 CG PRO C1927 18.468 2.127 0.115 1.00 0.44 C ATOM 486 CD PRO C1927 18.080 2.949 1.314 1.00 0.41 C ATOM 0 HA PRO C1927 19.321 5.242 -0.667 1.00 0.55 H new ATOM 0 HB2 PRO C1927 19.080 2.740 -1.842 1.00 0.54 H new ATOM 0 HB3 PRO C1927 20.276 3.027 -0.594 1.00 0.54 H new ATOM 0 HG2 PRO C1927 17.586 1.715 -0.375 1.00 0.44 H new ATOM 0 HG3 PRO C1927 19.093 1.284 0.409 1.00 0.44 H new ATOM 0 HD2 PRO C1927 17.092 2.674 1.684 1.00 0.41 H new ATOM 0 HD3 PRO C1927 18.780 2.808 2.138 1.00 0.41 H new ATOM 494 N PHE C1928 16.266 4.510 -1.072 1.00 0.30 N ATOM 495 CA PHE C1928 15.104 4.596 -1.928 1.00 0.27 C ATOM 496 C PHE C1928 14.078 5.531 -1.322 1.00 0.27 C ATOM 497 O PHE C1928 13.885 5.542 -0.109 1.00 0.31 O ATOM 498 CB PHE C1928 14.537 3.187 -2.170 1.00 0.24 C ATOM 499 CG PHE C1928 13.276 2.823 -1.445 1.00 0.23 C ATOM 500 CD1 PHE C1928 12.134 3.551 -1.669 1.00 0.30 C ATOM 501 CD2 PHE C1928 13.237 1.793 -0.526 1.00 0.26 C ATOM 502 CE1 PHE C1928 10.970 3.255 -0.999 1.00 0.33 C ATOM 503 CE2 PHE C1928 12.085 1.494 0.142 1.00 0.29 C ATOM 504 CZ PHE C1928 10.966 2.085 -0.132 1.00 0.27 C ATOM 0 H PHE C1928 16.054 4.320 -0.093 1.00 0.30 H new ATOM 0 HA PHE C1928 15.385 5.011 -2.896 1.00 0.27 H new ATOM 0 HB2 PHE C1928 14.357 3.074 -3.239 1.00 0.24 H new ATOM 0 HB3 PHE C1928 15.305 2.462 -1.898 1.00 0.24 H new ATOM 0 HD1 PHE C1928 12.150 4.365 -2.379 1.00 0.30 H new ATOM 0 HD2 PHE C1928 14.130 1.217 -0.333 1.00 0.26 H new ATOM 0 HE1 PHE C1928 10.089 3.869 -1.112 1.00 0.33 H new ATOM 0 HE2 PHE C1928 12.107 0.745 0.920 1.00 0.29 H new ATOM 0 HZ PHE C1928 10.039 1.714 0.279 1.00 0.27 H new ATOM 514 N VAL C1929 13.420 6.295 -2.180 1.00 0.25 N ATOM 515 CA VAL C1929 12.422 7.272 -1.770 1.00 0.25 C ATOM 516 C VAL C1929 11.570 7.675 -2.940 1.00 0.25 C ATOM 517 O VAL C1929 11.976 7.534 -4.092 1.00 0.27 O ATOM 518 CB VAL C1929 13.063 8.554 -1.243 1.00 0.29 C ATOM 519 CG1 VAL C1929 13.557 8.371 0.168 1.00 0.62 C ATOM 520 CG2 VAL C1929 14.183 8.947 -2.178 1.00 0.62 C ATOM 0 H VAL C1929 13.564 6.254 -3.189 1.00 0.25 H new ATOM 0 HA VAL C1929 11.833 6.794 -0.987 1.00 0.25 H new ATOM 0 HB VAL C1929 12.322 9.353 -1.212 1.00 0.29 H new ATOM 0 HG11 VAL C1929 14.009 9.299 0.519 1.00 0.62 H new ATOM 0 HG12 VAL C1929 12.720 8.108 0.815 1.00 0.62 H new ATOM 0 HG13 VAL C1929 14.300 7.574 0.193 1.00 0.62 H new ATOM 0 HG21 VAL C1929 14.654 9.862 -1.818 1.00 0.62 H new ATOM 0 HG22 VAL C1929 14.924 8.148 -2.215 1.00 0.62 H new ATOM 0 HG23 VAL C1929 13.781 9.115 -3.177 1.00 0.62 H new ATOM 530 N VAL C1930 10.412 8.219 -2.653 1.00 0.26 N ATOM 531 CA VAL C1930 9.592 8.762 -3.698 1.00 0.26 C ATOM 532 C VAL C1930 10.193 10.067 -4.204 1.00 0.29 C ATOM 533 O VAL C1930 10.523 10.956 -3.415 1.00 0.32 O ATOM 534 CB VAL C1930 8.151 9.024 -3.241 1.00 0.28 C ATOM 535 CG1 VAL C1930 7.318 9.547 -4.400 1.00 0.34 C ATOM 536 CG2 VAL C1930 7.536 7.764 -2.673 1.00 0.32 C ATOM 0 H VAL C1930 10.023 8.295 -1.713 1.00 0.26 H new ATOM 0 HA VAL C1930 9.561 8.018 -4.494 1.00 0.26 H new ATOM 0 HB VAL C1930 8.169 9.780 -2.456 1.00 0.28 H new ATOM 0 HG11 VAL C1930 6.298 9.729 -4.062 1.00 0.34 H new ATOM 0 HG12 VAL C1930 7.750 10.478 -4.767 1.00 0.34 H new ATOM 0 HG13 VAL C1930 7.308 8.810 -5.203 1.00 0.34 H new ATOM 0 HG21 VAL C1930 6.514 7.970 -2.354 1.00 0.32 H new ATOM 0 HG22 VAL C1930 7.528 6.987 -3.437 1.00 0.32 H new ATOM 0 HG23 VAL C1930 8.122 7.427 -1.818 1.00 0.32 H new ATOM 546 N PRO C1931 10.396 10.168 -5.518 1.00 0.34 N ATOM 547 CA PRO C1931 10.758 11.425 -6.171 1.00 0.42 C ATOM 548 C PRO C1931 9.717 12.507 -5.887 1.00 0.45 C ATOM 549 O PRO C1931 8.644 12.217 -5.361 1.00 0.45 O ATOM 550 CB PRO C1931 10.787 11.070 -7.666 1.00 0.56 C ATOM 551 CG PRO C1931 10.117 9.739 -7.780 1.00 0.48 C ATOM 552 CD PRO C1931 10.319 9.054 -6.461 1.00 0.36 C ATOM 0 HA PRO C1931 11.708 11.824 -5.816 1.00 0.42 H new ATOM 0 HB2 PRO C1931 10.265 11.823 -8.257 1.00 0.56 H new ATOM 0 HB3 PRO C1931 11.811 11.026 -8.038 1.00 0.56 H new ATOM 0 HG2 PRO C1931 9.056 9.855 -8.000 1.00 0.48 H new ATOM 0 HG3 PRO C1931 10.549 9.154 -8.592 1.00 0.48 H new ATOM 0 HD2 PRO C1931 9.494 8.382 -6.225 1.00 0.36 H new ATOM 0 HD3 PRO C1931 11.230 8.455 -6.453 1.00 0.36 H new ATOM 560 N ARG C1932 10.014 13.748 -6.250 1.00 0.54 N ATOM 561 CA ARG C1932 9.120 14.863 -5.937 1.00 0.70 C ATOM 562 C ARG C1932 7.820 14.781 -6.739 1.00 0.89 C ATOM 563 O ARG C1932 6.926 15.613 -6.591 1.00 1.79 O ATOM 564 CB ARG C1932 9.827 16.197 -6.165 1.00 0.83 C ATOM 565 CG ARG C1932 10.980 16.427 -5.201 1.00 1.53 C ATOM 566 CD ARG C1932 11.679 17.746 -5.464 1.00 2.00 C ATOM 567 NE ARG C1932 12.757 17.994 -4.504 1.00 2.79 N ATOM 568 CZ ARG C1932 13.866 18.675 -4.789 1.00 3.62 C ATOM 569 NH1 ARG C1932 14.054 19.161 -6.009 1.00 3.88 N ATOM 570 NH2 ARG C1932 14.794 18.863 -3.856 1.00 4.56 N ATOM 0 H ARG C1932 10.859 14.010 -6.757 1.00 0.54 H new ATOM 0 HA ARG C1932 8.854 14.794 -4.882 1.00 0.70 H new ATOM 0 HB2 ARG C1932 10.202 16.234 -7.188 1.00 0.83 H new ATOM 0 HB3 ARG C1932 9.106 17.007 -6.061 1.00 0.83 H new ATOM 0 HG2 ARG C1932 10.606 16.411 -4.177 1.00 1.53 H new ATOM 0 HG3 ARG C1932 11.697 15.611 -5.291 1.00 1.53 H new ATOM 0 HD2 ARG C1932 12.086 17.746 -6.475 1.00 2.00 H new ATOM 0 HD3 ARG C1932 10.953 18.558 -5.413 1.00 2.00 H new ATOM 0 HE ARG C1932 12.652 17.623 -3.560 1.00 2.79 H new ATOM 0 HH11 ARG C1932 13.349 19.014 -6.731 1.00 3.88 H new ATOM 0 HH12 ARG C1932 14.904 19.682 -6.225 1.00 3.88 H new ATOM 0 HH21 ARG C1932 14.658 18.485 -2.918 1.00 4.56 H new ATOM 0 HH22 ARG C1932 15.642 19.385 -4.078 1.00 4.56 H new ATOM 584 N ARG C1933 7.735 13.764 -7.579 1.00 0.74 N ATOM 585 CA ARG C1933 6.527 13.439 -8.316 1.00 0.76 C ATOM 586 C ARG C1933 6.649 12.012 -8.831 1.00 0.65 C ATOM 587 O ARG C1933 7.553 11.289 -8.423 1.00 0.69 O ATOM 588 CB ARG C1933 6.312 14.427 -9.465 1.00 0.95 C ATOM 589 CG ARG C1933 7.471 14.505 -10.443 1.00 1.66 C ATOM 590 CD ARG C1933 7.258 15.615 -11.454 1.00 1.80 C ATOM 591 NE ARG C1933 7.168 16.925 -10.811 1.00 2.56 N ATOM 592 CZ ARG C1933 6.711 18.021 -11.409 1.00 2.86 C ATOM 593 NH1 ARG C1933 6.270 17.966 -12.663 1.00 2.53 N ATOM 594 NH2 ARG C1933 6.692 19.173 -10.749 1.00 3.92 N ATOM 0 H ARG C1933 8.513 13.133 -7.771 1.00 0.74 H new ATOM 0 HA ARG C1933 5.659 13.516 -7.662 1.00 0.76 H new ATOM 0 HB2 ARG C1933 5.411 14.144 -10.009 1.00 0.95 H new ATOM 0 HB3 ARG C1933 6.135 15.419 -9.049 1.00 0.95 H new ATOM 0 HG2 ARG C1933 8.399 14.678 -9.899 1.00 1.66 H new ATOM 0 HG3 ARG C1933 7.578 13.552 -10.961 1.00 1.66 H new ATOM 0 HD2 ARG C1933 8.080 15.617 -12.170 1.00 1.80 H new ATOM 0 HD3 ARG C1933 6.345 15.423 -12.018 1.00 1.80 H new ATOM 0 HE ARG C1933 7.475 17.003 -9.842 1.00 2.56 H new ATOM 0 HH11 ARG C1933 6.282 17.081 -13.169 1.00 2.53 H new ATOM 0 HH12 ARG C1933 5.920 18.809 -13.118 1.00 2.53 H new ATOM 0 HH21 ARG C1933 7.027 19.215 -9.787 1.00 3.92 H new ATOM 0 HH22 ARG C1933 6.342 20.016 -11.204 1.00 3.92 H new ATOM 654 N ALA A 2 1.558 -1.989 -17.771 1.00 0.37 N ATOM 655 CA ALA A 2 2.360 -0.996 -17.074 1.00 0.33 C ATOM 656 C ALA A 2 3.309 -1.676 -16.103 1.00 0.30 C ATOM 657 O ALA A 2 3.200 -2.884 -15.890 1.00 0.39 O ATOM 658 CB ALA A 2 1.450 -0.030 -16.336 1.00 0.33 C ATOM 0 HA ALA A 2 2.952 -0.440 -17.801 1.00 0.33 H new ATOM 0 HB1 ALA A 2 2.054 0.713 -15.815 1.00 0.33 H new ATOM 0 HB2 ALA A 2 0.795 0.470 -17.050 1.00 0.33 H new ATOM 0 HB3 ALA A 2 0.846 -0.579 -15.613 1.00 0.33 H new ATOM 664 N CYS A 3 4.234 -0.915 -15.520 1.00 0.29 N ATOM 665 CA CYS A 3 5.115 -1.439 -14.498 1.00 0.27 C ATOM 666 C CYS A 3 4.287 -1.770 -13.270 1.00 0.22 C ATOM 667 O CYS A 3 3.825 -0.872 -12.564 1.00 0.21 O ATOM 668 CB CYS A 3 6.208 -0.427 -14.155 1.00 0.32 C ATOM 669 SG CYS A 3 7.221 0.072 -15.567 1.00 0.43 S ATOM 0 H CYS A 3 4.387 0.068 -15.744 1.00 0.29 H new ATOM 0 HA CYS A 3 5.606 -2.340 -14.864 1.00 0.27 H new ATOM 0 HB2 CYS A 3 5.745 0.460 -13.723 1.00 0.32 H new ATOM 0 HB3 CYS A 3 6.856 -0.854 -13.389 1.00 0.32 H new ATOM 0 HG CYS A 3 8.116 0.931 -15.177 1.00 0.43 H new ATOM 675 N PRO A 4 4.072 -3.067 -13.028 1.00 0.20 N ATOM 676 CA PRO A 4 3.123 -3.553 -12.023 1.00 0.18 C ATOM 677 C PRO A 4 3.290 -2.892 -10.665 1.00 0.16 C ATOM 678 O PRO A 4 2.384 -2.211 -10.181 1.00 0.16 O ATOM 679 CB PRO A 4 3.471 -5.034 -11.938 1.00 0.21 C ATOM 680 CG PRO A 4 3.937 -5.365 -13.308 1.00 0.24 C ATOM 681 CD PRO A 4 4.748 -4.180 -13.724 1.00 0.24 C ATOM 0 HA PRO A 4 2.091 -3.338 -12.299 1.00 0.18 H new ATOM 0 HB2 PRO A 4 4.246 -5.221 -11.195 1.00 0.21 H new ATOM 0 HB3 PRO A 4 2.606 -5.633 -11.654 1.00 0.21 H new ATOM 0 HG2 PRO A 4 4.534 -6.277 -13.315 1.00 0.24 H new ATOM 0 HG3 PRO A 4 3.098 -5.529 -13.984 1.00 0.24 H new ATOM 0 HD2 PRO A 4 5.790 -4.275 -13.420 1.00 0.24 H new ATOM 0 HD3 PRO A 4 4.743 -4.045 -14.806 1.00 0.24 H new ATOM 689 N LEU A 5 4.459 -3.065 -10.067 1.00 0.16 N ATOM 690 CA LEU A 5 4.696 -2.561 -8.726 1.00 0.17 C ATOM 691 C LEU A 5 4.767 -1.036 -8.744 1.00 0.19 C ATOM 692 O LEU A 5 4.370 -0.388 -7.783 1.00 0.24 O ATOM 693 CB LEU A 5 5.979 -3.171 -8.149 1.00 0.17 C ATOM 694 CG LEU A 5 5.929 -3.545 -6.655 1.00 0.18 C ATOM 695 CD1 LEU A 5 5.798 -2.314 -5.780 1.00 0.20 C ATOM 696 CD2 LEU A 5 4.781 -4.499 -6.381 1.00 0.20 C ATOM 0 H LEU A 5 5.253 -3.548 -10.487 1.00 0.16 H new ATOM 0 HA LEU A 5 3.867 -2.854 -8.082 1.00 0.17 H new ATOM 0 HB2 LEU A 5 6.222 -4.067 -8.721 1.00 0.17 H new ATOM 0 HB3 LEU A 5 6.795 -2.465 -8.300 1.00 0.17 H new ATOM 0 HG LEU A 5 6.869 -4.039 -6.409 1.00 0.18 H new ATOM 0 HD11 LEU A 5 5.766 -2.614 -4.733 1.00 0.20 H new ATOM 0 HD12 LEU A 5 6.654 -1.659 -5.944 1.00 0.20 H new ATOM 0 HD13 LEU A 5 4.881 -1.783 -6.034 1.00 0.20 H new ATOM 0 HD21 LEU A 5 4.763 -4.751 -5.321 1.00 0.20 H new ATOM 0 HD22 LEU A 5 3.840 -4.024 -6.657 1.00 0.20 H new ATOM 0 HD23 LEU A 5 4.915 -5.408 -6.968 1.00 0.20 H new ATOM 708 N GLU A 6 5.236 -0.466 -9.851 1.00 0.19 N ATOM 709 CA GLU A 6 5.302 0.985 -9.981 1.00 0.23 C ATOM 710 C GLU A 6 3.912 1.586 -9.865 1.00 0.21 C ATOM 711 O GLU A 6 3.695 2.546 -9.119 1.00 0.25 O ATOM 712 CB GLU A 6 5.916 1.404 -11.318 1.00 0.32 C ATOM 713 CG GLU A 6 5.971 2.913 -11.509 1.00 0.47 C ATOM 714 CD GLU A 6 6.429 3.315 -12.893 1.00 0.90 C ATOM 715 OE1 GLU A 6 5.574 3.432 -13.798 1.00 1.39 O ATOM 716 OE2 GLU A 6 7.642 3.526 -13.086 1.00 1.78 O ATOM 0 H GLU A 6 5.573 -0.982 -10.664 1.00 0.19 H new ATOM 0 HA GLU A 6 5.937 1.355 -9.176 1.00 0.23 H new ATOM 0 HB2 GLU A 6 6.925 0.999 -11.389 1.00 0.32 H new ATOM 0 HB3 GLU A 6 5.337 0.963 -12.130 1.00 0.32 H new ATOM 0 HG2 GLU A 6 4.983 3.334 -11.322 1.00 0.47 H new ATOM 0 HG3 GLU A 6 6.646 3.343 -10.769 1.00 0.47 H new ATOM 723 N LYS A 7 2.974 1.006 -10.605 1.00 0.18 N ATOM 724 CA LYS A 7 1.605 1.478 -10.602 1.00 0.20 C ATOM 725 C LYS A 7 1.027 1.454 -9.201 1.00 0.17 C ATOM 726 O LYS A 7 0.335 2.379 -8.815 1.00 0.19 O ATOM 727 CB LYS A 7 0.732 0.653 -11.553 1.00 0.26 C ATOM 728 CG LYS A 7 0.994 0.912 -13.033 1.00 0.41 C ATOM 729 CD LYS A 7 0.651 2.343 -13.440 1.00 0.90 C ATOM 730 CE LYS A 7 1.783 3.312 -13.130 1.00 0.83 C ATOM 731 NZ LYS A 7 1.449 4.707 -13.522 1.00 1.16 N ATOM 0 H LYS A 7 3.143 0.206 -11.215 1.00 0.18 H new ATOM 0 HA LYS A 7 1.612 2.509 -10.955 1.00 0.20 H new ATOM 0 HB2 LYS A 7 0.892 -0.405 -11.348 1.00 0.26 H new ATOM 0 HB3 LYS A 7 -0.316 0.864 -11.340 1.00 0.26 H new ATOM 0 HG2 LYS A 7 2.043 0.715 -13.254 1.00 0.41 H new ATOM 0 HG3 LYS A 7 0.406 0.216 -13.631 1.00 0.41 H new ATOM 0 HD2 LYS A 7 0.430 2.373 -14.507 1.00 0.90 H new ATOM 0 HD3 LYS A 7 -0.252 2.662 -12.919 1.00 0.90 H new ATOM 0 HE2 LYS A 7 2.006 3.279 -12.064 1.00 0.83 H new ATOM 0 HE3 LYS A 7 2.685 2.995 -13.654 1.00 0.83 H new ATOM 0 HZ1 LYS A 7 2.307 5.293 -13.485 1.00 1.16 H new ATOM 0 HZ2 LYS A 7 1.067 4.714 -14.489 1.00 1.16 H new ATOM 0 HZ3 LYS A 7 0.739 5.091 -12.866 1.00 1.16 H new ATOM 745 N ALA A 8 1.353 0.421 -8.435 1.00 0.18 N ATOM 746 CA ALA A 8 0.821 0.266 -7.082 1.00 0.19 C ATOM 747 C ALA A 8 0.939 1.552 -6.266 1.00 0.17 C ATOM 748 O ALA A 8 -0.031 1.993 -5.658 1.00 0.21 O ATOM 749 CB ALA A 8 1.521 -0.872 -6.362 1.00 0.20 C ATOM 0 H ALA A 8 1.985 -0.325 -8.726 1.00 0.18 H new ATOM 0 HA ALA A 8 -0.239 0.033 -7.180 1.00 0.19 H new ATOM 0 HB1 ALA A 8 1.112 -0.973 -5.357 1.00 0.20 H new ATOM 0 HB2 ALA A 8 1.366 -1.800 -6.912 1.00 0.20 H new ATOM 0 HB3 ALA A 8 2.589 -0.661 -6.300 1.00 0.20 H new ATOM 755 N LEU A 9 2.121 2.154 -6.263 1.00 0.14 N ATOM 756 CA LEU A 9 2.340 3.380 -5.501 1.00 0.14 C ATOM 757 C LEU A 9 1.778 4.589 -6.238 1.00 0.13 C ATOM 758 O LEU A 9 1.127 5.449 -5.639 1.00 0.16 O ATOM 759 CB LEU A 9 3.831 3.598 -5.213 1.00 0.15 C ATOM 760 CG LEU A 9 4.544 2.449 -4.493 1.00 0.16 C ATOM 761 CD1 LEU A 9 3.647 1.838 -3.432 1.00 0.19 C ATOM 762 CD2 LEU A 9 5.010 1.388 -5.472 1.00 0.15 C ATOM 0 H LEU A 9 2.937 1.819 -6.774 1.00 0.14 H new ATOM 0 HA LEU A 9 1.815 3.269 -4.552 1.00 0.14 H new ATOM 0 HB2 LEU A 9 4.342 3.782 -6.158 1.00 0.15 H new ATOM 0 HB3 LEU A 9 3.938 4.501 -4.612 1.00 0.15 H new ATOM 0 HG LEU A 9 5.425 2.863 -4.003 1.00 0.16 H new ATOM 0 HD11 LEU A 9 4.174 1.024 -2.934 1.00 0.19 H new ATOM 0 HD12 LEU A 9 3.380 2.599 -2.699 1.00 0.19 H new ATOM 0 HD13 LEU A 9 2.742 1.451 -3.900 1.00 0.19 H new ATOM 0 HD21 LEU A 9 5.512 0.587 -4.929 1.00 0.15 H new ATOM 0 HD22 LEU A 9 4.150 0.982 -6.005 1.00 0.15 H new ATOM 0 HD23 LEU A 9 5.703 1.832 -6.187 1.00 0.15 H new ATOM 774 N ASP A 10 2.027 4.638 -7.539 1.00 0.14 N ATOM 775 CA ASP A 10 1.568 5.737 -8.386 1.00 0.15 C ATOM 776 C ASP A 10 0.057 5.904 -8.317 1.00 0.15 C ATOM 777 O ASP A 10 -0.454 7.004 -8.099 1.00 0.18 O ATOM 778 CB ASP A 10 2.000 5.483 -9.836 1.00 0.19 C ATOM 779 CG ASP A 10 1.304 6.385 -10.839 1.00 0.48 C ATOM 780 OD1 ASP A 10 1.770 7.518 -11.058 1.00 1.19 O ATOM 781 OD2 ASP A 10 0.308 5.941 -11.451 1.00 1.18 O ATOM 0 H ASP A 10 2.551 3.920 -8.039 1.00 0.14 H new ATOM 0 HA ASP A 10 2.021 6.659 -8.021 1.00 0.15 H new ATOM 0 HB2 ASP A 10 3.078 5.626 -9.917 1.00 0.19 H new ATOM 0 HB3 ASP A 10 1.796 4.443 -10.091 1.00 0.19 H new ATOM 786 N VAL A 11 -0.655 4.801 -8.470 1.00 0.16 N ATOM 787 CA VAL A 11 -2.101 4.841 -8.563 1.00 0.18 C ATOM 788 C VAL A 11 -2.745 5.150 -7.220 1.00 0.18 C ATOM 789 O VAL A 11 -3.881 5.602 -7.182 1.00 0.23 O ATOM 790 CB VAL A 11 -2.685 3.531 -9.119 1.00 0.20 C ATOM 791 CG1 VAL A 11 -2.010 3.172 -10.431 1.00 0.23 C ATOM 792 CG2 VAL A 11 -2.564 2.403 -8.108 1.00 0.18 C ATOM 0 H VAL A 11 -0.253 3.866 -8.532 1.00 0.16 H new ATOM 0 HA VAL A 11 -2.333 5.646 -9.260 1.00 0.18 H new ATOM 0 HB VAL A 11 -3.748 3.680 -9.310 1.00 0.20 H new ATOM 0 HG11 VAL A 11 -2.432 2.243 -10.815 1.00 0.23 H new ATOM 0 HG12 VAL A 11 -2.173 3.971 -11.155 1.00 0.23 H new ATOM 0 HG13 VAL A 11 -0.940 3.044 -10.267 1.00 0.23 H new ATOM 0 HG21 VAL A 11 -2.985 1.490 -8.529 1.00 0.18 H new ATOM 0 HG22 VAL A 11 -1.513 2.241 -7.868 1.00 0.18 H new ATOM 0 HG23 VAL A 11 -3.107 2.668 -7.201 1.00 0.18 H new ATOM 802 N MET A 12 -2.033 4.915 -6.118 1.00 0.16 N ATOM 803 CA MET A 12 -2.582 5.244 -4.808 1.00 0.20 C ATOM 804 C MET A 12 -2.890 6.729 -4.728 1.00 0.24 C ATOM 805 O MET A 12 -4.025 7.118 -4.475 1.00 0.40 O ATOM 806 CB MET A 12 -1.643 4.860 -3.662 1.00 0.25 C ATOM 807 CG MET A 12 -1.478 3.364 -3.467 1.00 0.17 C ATOM 808 SD MET A 12 -1.102 2.932 -1.759 1.00 0.72 S ATOM 809 CE MET A 12 -0.679 1.206 -1.936 1.00 0.19 C ATOM 0 H MET A 12 -1.098 4.508 -6.106 1.00 0.16 H new ATOM 0 HA MET A 12 -3.497 4.662 -4.695 1.00 0.20 H new ATOM 0 HB2 MET A 12 -0.663 5.301 -3.847 1.00 0.25 H new ATOM 0 HB3 MET A 12 -2.020 5.296 -2.737 1.00 0.25 H new ATOM 0 HG2 MET A 12 -2.393 2.857 -3.774 1.00 0.17 H new ATOM 0 HG3 MET A 12 -0.680 3.002 -4.115 1.00 0.17 H new ATOM 0 HE1 MET A 12 -0.560 0.758 -0.950 1.00 0.19 H new ATOM 0 HE2 MET A 12 -1.473 0.690 -2.475 1.00 0.19 H new ATOM 0 HE3 MET A 12 0.255 1.115 -2.491 1.00 0.19 H new ATOM 819 N VAL A 13 -1.882 7.560 -4.981 1.00 0.17 N ATOM 820 CA VAL A 13 -2.060 9.006 -4.918 1.00 0.19 C ATOM 821 C VAL A 13 -2.825 9.523 -6.140 1.00 0.20 C ATOM 822 O VAL A 13 -3.536 10.526 -6.060 1.00 0.28 O ATOM 823 CB VAL A 13 -0.711 9.754 -4.790 1.00 0.18 C ATOM 824 CG1 VAL A 13 -0.009 9.391 -3.489 1.00 0.21 C ATOM 825 CG2 VAL A 13 0.192 9.469 -5.974 1.00 0.19 C ATOM 0 H VAL A 13 -0.940 7.259 -5.230 1.00 0.17 H new ATOM 0 HA VAL A 13 -2.645 9.208 -4.021 1.00 0.19 H new ATOM 0 HB VAL A 13 -0.928 10.822 -4.779 1.00 0.18 H new ATOM 0 HG11 VAL A 13 0.936 9.930 -3.423 1.00 0.21 H new ATOM 0 HG12 VAL A 13 -0.642 9.665 -2.645 1.00 0.21 H new ATOM 0 HG13 VAL A 13 0.182 8.318 -3.466 1.00 0.21 H new ATOM 0 HG21 VAL A 13 1.131 10.009 -5.854 1.00 0.19 H new ATOM 0 HG22 VAL A 13 0.393 8.399 -6.029 1.00 0.19 H new ATOM 0 HG23 VAL A 13 -0.298 9.794 -6.892 1.00 0.19 H new ATOM 835 N SER A 14 -2.690 8.823 -7.262 1.00 0.19 N ATOM 836 CA SER A 14 -3.384 9.189 -8.491 1.00 0.22 C ATOM 837 C SER A 14 -4.891 8.984 -8.335 1.00 0.24 C ATOM 838 O SER A 14 -5.677 9.918 -8.505 1.00 0.28 O ATOM 839 CB SER A 14 -2.848 8.356 -9.658 1.00 0.24 C ATOM 840 OG SER A 14 -3.445 8.721 -10.889 1.00 1.12 O ATOM 0 H SER A 14 -2.102 7.994 -7.345 1.00 0.19 H new ATOM 0 HA SER A 14 -3.203 10.244 -8.698 1.00 0.22 H new ATOM 0 HB2 SER A 14 -1.768 8.483 -9.728 1.00 0.24 H new ATOM 0 HB3 SER A 14 -3.033 7.299 -9.464 1.00 0.24 H new ATOM 0 HG SER A 14 -3.075 8.168 -11.609 1.00 1.12 H new ATOM 846 N THR A 15 -5.280 7.766 -7.983 1.00 0.25 N ATOM 847 CA THR A 15 -6.682 7.423 -7.794 1.00 0.28 C ATOM 848 C THR A 15 -7.243 8.157 -6.575 1.00 0.30 C ATOM 849 O THR A 15 -8.435 8.451 -6.499 1.00 0.33 O ATOM 850 CB THR A 15 -6.848 5.899 -7.637 1.00 0.28 C ATOM 851 OG1 THR A 15 -6.056 5.233 -8.630 1.00 0.34 O ATOM 852 CG2 THR A 15 -8.296 5.474 -7.801 1.00 0.26 C ATOM 0 H THR A 15 -4.636 6.992 -7.821 1.00 0.25 H new ATOM 0 HA THR A 15 -7.242 7.736 -8.675 1.00 0.28 H new ATOM 0 HB THR A 15 -6.521 5.627 -6.633 1.00 0.28 H new ATOM 0 HG1 THR A 15 -5.131 5.160 -8.315 1.00 0.34 H new ATOM 0 HG21 THR A 15 -8.373 4.393 -7.684 1.00 0.26 H new ATOM 0 HG22 THR A 15 -8.907 5.966 -7.044 1.00 0.26 H new ATOM 0 HG23 THR A 15 -8.648 5.757 -8.793 1.00 0.26 H new ATOM 860 N PHE A 16 -6.356 8.447 -5.623 1.00 0.31 N ATOM 861 CA PHE A 16 -6.685 9.276 -4.469 1.00 0.37 C ATOM 862 C PHE A 16 -7.309 10.591 -4.929 1.00 0.42 C ATOM 863 O PHE A 16 -8.481 10.853 -4.663 1.00 0.54 O ATOM 864 CB PHE A 16 -5.410 9.547 -3.664 1.00 0.45 C ATOM 865 CG PHE A 16 -5.609 10.292 -2.378 1.00 0.36 C ATOM 866 CD1 PHE A 16 -6.042 9.630 -1.242 1.00 1.26 C ATOM 867 CD2 PHE A 16 -5.338 11.647 -2.298 1.00 1.24 C ATOM 868 CE1 PHE A 16 -6.205 10.308 -0.049 1.00 1.43 C ATOM 869 CE2 PHE A 16 -5.495 12.330 -1.110 1.00 1.39 C ATOM 870 CZ PHE A 16 -5.929 11.658 0.015 1.00 0.99 C ATOM 0 H PHE A 16 -5.392 8.114 -5.632 1.00 0.31 H new ATOM 0 HA PHE A 16 -7.406 8.754 -3.839 1.00 0.37 H new ATOM 0 HB2 PHE A 16 -4.931 8.593 -3.442 1.00 0.45 H new ATOM 0 HB3 PHE A 16 -4.719 10.113 -4.289 1.00 0.45 H new ATOM 0 HD1 PHE A 16 -6.255 8.572 -1.289 1.00 1.26 H new ATOM 0 HD2 PHE A 16 -4.999 12.176 -3.177 1.00 1.24 H new ATOM 0 HE1 PHE A 16 -6.547 9.783 0.830 1.00 1.43 H new ATOM 0 HE2 PHE A 16 -5.279 13.387 -1.060 1.00 1.39 H new ATOM 0 HZ PHE A 16 -6.053 12.190 0.947 1.00 0.99 H new ATOM 880 N HIS A 17 -6.527 11.393 -5.654 1.00 0.44 N ATOM 881 CA HIS A 17 -6.998 12.679 -6.173 1.00 0.54 C ATOM 882 C HIS A 17 -8.174 12.489 -7.124 1.00 0.47 C ATOM 883 O HIS A 17 -9.055 13.344 -7.224 1.00 0.52 O ATOM 884 CB HIS A 17 -5.876 13.408 -6.925 1.00 0.72 C ATOM 885 CG HIS A 17 -4.853 14.059 -6.047 1.00 1.09 C ATOM 886 ND1 HIS A 17 -4.683 15.422 -5.984 1.00 2.16 N ATOM 887 CD2 HIS A 17 -3.930 13.530 -5.210 1.00 1.23 C ATOM 888 CE1 HIS A 17 -3.706 15.703 -5.151 1.00 2.80 C ATOM 889 NE2 HIS A 17 -3.229 14.574 -4.659 1.00 2.27 N ATOM 0 H HIS A 17 -5.561 11.174 -5.896 1.00 0.44 H new ATOM 0 HA HIS A 17 -7.315 13.274 -5.317 1.00 0.54 H new ATOM 0 HB2 HIS A 17 -5.373 12.695 -7.579 1.00 0.72 H new ATOM 0 HB3 HIS A 17 -6.322 14.169 -7.566 1.00 0.72 H new ATOM 0 HD2 HIS A 17 -3.774 12.480 -5.012 1.00 1.23 H new ATOM 0 HE1 HIS A 17 -3.352 16.694 -4.909 1.00 2.80 H new ATOM 0 HE2 HIS A 17 -2.469 14.492 -3.984 1.00 2.27 H new ATOM 898 N LYS A 18 -8.168 11.357 -7.813 1.00 0.43 N ATOM 899 CA LYS A 18 -9.155 11.054 -8.842 1.00 0.46 C ATOM 900 C LYS A 18 -10.584 11.089 -8.297 1.00 0.44 C ATOM 901 O LYS A 18 -11.499 11.520 -8.994 1.00 0.62 O ATOM 902 CB LYS A 18 -8.845 9.678 -9.445 1.00 0.55 C ATOM 903 CG LYS A 18 -9.723 9.283 -10.623 1.00 0.77 C ATOM 904 CD LYS A 18 -9.354 7.896 -11.132 1.00 0.73 C ATOM 905 CE LYS A 18 -10.240 7.459 -12.286 1.00 1.41 C ATOM 906 NZ LYS A 18 -9.953 6.060 -12.706 1.00 1.69 N ATOM 0 H LYS A 18 -7.477 10.620 -7.674 1.00 0.43 H new ATOM 0 HA LYS A 18 -9.092 11.822 -9.613 1.00 0.46 H new ATOM 0 HB2 LYS A 18 -7.803 9.664 -9.766 1.00 0.55 H new ATOM 0 HB3 LYS A 18 -8.948 8.924 -8.665 1.00 0.55 H new ATOM 0 HG2 LYS A 18 -10.771 9.298 -10.323 1.00 0.77 H new ATOM 0 HG3 LYS A 18 -9.611 10.012 -11.426 1.00 0.77 H new ATOM 0 HD2 LYS A 18 -8.312 7.893 -11.453 1.00 0.73 H new ATOM 0 HD3 LYS A 18 -9.438 7.177 -10.318 1.00 0.73 H new ATOM 0 HE2 LYS A 18 -11.286 7.543 -11.992 1.00 1.41 H new ATOM 0 HE3 LYS A 18 -10.092 8.130 -13.132 1.00 1.41 H new ATOM 0 HZ1 LYS A 18 -10.542 5.817 -13.528 1.00 1.69 H new ATOM 0 HZ2 LYS A 18 -8.949 5.973 -12.962 1.00 1.69 H new ATOM 0 HZ3 LYS A 18 -10.168 5.411 -11.922 1.00 1.69 H new ATOM 920 N TYR A 19 -10.780 10.656 -7.054 1.00 0.37 N ATOM 921 CA TYR A 19 -12.134 10.550 -6.508 1.00 0.41 C ATOM 922 C TYR A 19 -12.367 11.448 -5.295 1.00 0.48 C ATOM 923 O TYR A 19 -13.476 11.928 -5.104 1.00 0.73 O ATOM 924 CB TYR A 19 -12.452 9.095 -6.152 1.00 0.43 C ATOM 925 CG TYR A 19 -12.429 8.174 -7.348 1.00 0.38 C ATOM 926 CD1 TYR A 19 -13.475 8.159 -8.260 1.00 1.18 C ATOM 927 CD2 TYR A 19 -11.351 7.332 -7.577 1.00 1.14 C ATOM 928 CE1 TYR A 19 -13.443 7.331 -9.366 1.00 1.21 C ATOM 929 CE2 TYR A 19 -11.319 6.501 -8.677 1.00 1.14 C ATOM 930 CZ TYR A 19 -12.364 6.503 -9.567 1.00 0.48 C ATOM 931 OH TYR A 19 -12.314 5.693 -10.676 1.00 0.59 O ATOM 0 H TYR A 19 -10.036 10.377 -6.415 1.00 0.37 H new ATOM 0 HA TYR A 19 -12.810 10.897 -7.290 1.00 0.41 H new ATOM 0 HB2 TYR A 19 -11.731 8.742 -5.415 1.00 0.43 H new ATOM 0 HB3 TYR A 19 -13.435 9.048 -5.684 1.00 0.43 H new ATOM 0 HD1 TYR A 19 -14.327 8.804 -8.103 1.00 1.18 H new ATOM 0 HD2 TYR A 19 -10.524 7.327 -6.883 1.00 1.14 H new ATOM 0 HE1 TYR A 19 -14.262 7.334 -10.070 1.00 1.21 H new ATOM 0 HE2 TYR A 19 -10.473 5.849 -8.838 1.00 1.14 H new ATOM 0 HH TYR A 19 -11.579 5.051 -10.580 1.00 0.59 H new ATOM 941 N SER A 20 -11.338 11.681 -4.486 1.00 0.38 N ATOM 942 CA SER A 20 -11.506 12.456 -3.253 1.00 0.45 C ATOM 943 C SER A 20 -11.945 13.889 -3.549 1.00 0.54 C ATOM 944 O SER A 20 -12.821 14.434 -2.877 1.00 0.68 O ATOM 945 CB SER A 20 -10.202 12.459 -2.454 1.00 0.47 C ATOM 946 OG SER A 20 -9.125 12.913 -3.255 1.00 0.52 O ATOM 0 H SER A 20 -10.388 11.350 -4.655 1.00 0.38 H new ATOM 0 HA SER A 20 -12.290 11.982 -2.662 1.00 0.45 H new ATOM 0 HB2 SER A 20 -10.307 13.101 -1.579 1.00 0.47 H new ATOM 0 HB3 SER A 20 -9.991 11.454 -2.088 1.00 0.47 H new ATOM 0 HG SER A 20 -8.585 12.147 -3.542 1.00 0.52 H new ATOM 952 N GLY A 21 -11.349 14.489 -4.571 1.00 0.54 N ATOM 953 CA GLY A 21 -11.673 15.857 -4.920 1.00 0.65 C ATOM 954 C GLY A 21 -12.942 15.983 -5.748 1.00 0.68 C ATOM 955 O GLY A 21 -13.071 16.904 -6.554 1.00 0.82 O ATOM 0 H GLY A 21 -10.645 14.051 -5.165 1.00 0.54 H new ATOM 0 HA2 GLY A 21 -11.784 16.441 -4.006 1.00 0.65 H new ATOM 0 HA3 GLY A 21 -10.841 16.290 -5.475 1.00 0.65 H new ATOM 1057 N LYS A 28 -9.501 13.673 1.496 1.00 0.67 N ATOM 1058 CA LYS A 28 -10.374 12.813 2.277 1.00 0.64 C ATOM 1059 C LYS A 28 -11.344 12.072 1.387 1.00 0.48 C ATOM 1060 O LYS A 28 -12.182 12.677 0.719 1.00 0.54 O ATOM 1061 CB LYS A 28 -11.181 13.624 3.297 1.00 0.87 C ATOM 1062 CG LYS A 28 -10.351 14.530 4.185 1.00 1.00 C ATOM 1063 CD LYS A 28 -9.335 13.744 4.984 1.00 1.04 C ATOM 1064 CE LYS A 28 -8.651 14.619 6.020 1.00 1.55 C ATOM 1065 NZ LYS A 28 -9.605 15.092 7.059 1.00 2.03 N ATOM 0 HA LYS A 28 -9.733 12.101 2.798 1.00 0.64 H new ATOM 0 HB2 LYS A 28 -11.911 14.232 2.762 1.00 0.87 H new ATOM 0 HB3 LYS A 28 -11.742 12.934 3.928 1.00 0.87 H new ATOM 0 HG2 LYS A 28 -9.839 15.272 3.572 1.00 1.00 H new ATOM 0 HG3 LYS A 28 -11.006 15.075 4.864 1.00 1.00 H new ATOM 0 HD2 LYS A 28 -9.827 12.907 5.480 1.00 1.04 H new ATOM 0 HD3 LYS A 28 -8.588 13.322 4.312 1.00 1.04 H new ATOM 0 HE2 LYS A 28 -7.845 14.059 6.494 1.00 1.55 H new ATOM 0 HE3 LYS A 28 -8.195 15.478 5.527 1.00 1.55 H new ATOM 0 HZ1 LYS A 28 -9.076 15.417 7.893 1.00 2.03 H new ATOM 0 HZ2 LYS A 28 -10.170 15.878 6.679 1.00 2.03 H new ATOM 0 HZ3 LYS A 28 -10.236 14.312 7.332 1.00 2.03 H new ATOM 1079 N LEU A 29 -11.254 10.766 1.394 1.00 0.36 N ATOM 1080 CA LEU A 29 -12.250 9.965 0.709 1.00 0.32 C ATOM 1081 C LEU A 29 -13.306 9.507 1.696 1.00 0.34 C ATOM 1082 O LEU A 29 -13.052 8.644 2.537 1.00 0.40 O ATOM 1083 CB LEU A 29 -11.642 8.759 -0.009 1.00 0.30 C ATOM 1084 CG LEU A 29 -10.835 9.089 -1.264 1.00 0.30 C ATOM 1085 CD1 LEU A 29 -9.392 9.396 -0.909 1.00 0.32 C ATOM 1086 CD2 LEU A 29 -10.914 7.946 -2.259 1.00 0.33 C ATOM 0 H LEU A 29 -10.515 10.236 1.857 1.00 0.36 H new ATOM 0 HA LEU A 29 -12.704 10.595 -0.056 1.00 0.32 H new ATOM 0 HB2 LEU A 29 -10.996 8.228 0.690 1.00 0.30 H new ATOM 0 HB3 LEU A 29 -12.446 8.076 -0.282 1.00 0.30 H new ATOM 0 HG LEU A 29 -11.265 9.977 -1.727 1.00 0.30 H new ATOM 0 HD11 LEU A 29 -8.835 9.628 -1.817 1.00 0.32 H new ATOM 0 HD12 LEU A 29 -9.357 10.251 -0.234 1.00 0.32 H new ATOM 0 HD13 LEU A 29 -8.945 8.530 -0.421 1.00 0.32 H new ATOM 0 HD21 LEU A 29 -10.334 8.196 -3.147 1.00 0.33 H new ATOM 0 HD22 LEU A 29 -10.511 7.040 -1.806 1.00 0.33 H new ATOM 0 HD23 LEU A 29 -11.954 7.779 -2.540 1.00 0.33 H new ATOM 1098 N ASN A 30 -14.478 10.116 1.619 1.00 0.35 N ATOM 1099 CA ASN A 30 -15.597 9.703 2.447 1.00 0.35 C ATOM 1100 C ASN A 30 -16.243 8.461 1.847 1.00 0.31 C ATOM 1101 O ASN A 30 -15.723 7.895 0.882 1.00 0.29 O ATOM 1102 CB ASN A 30 -16.633 10.829 2.598 1.00 0.41 C ATOM 1103 CG ASN A 30 -17.395 11.124 1.319 1.00 0.62 C ATOM 1104 OD1 ASN A 30 -18.410 10.493 1.028 1.00 1.20 O ATOM 1105 ND2 ASN A 30 -16.936 12.108 0.567 1.00 0.63 N ATOM 0 H ASN A 30 -14.678 10.896 0.993 1.00 0.35 H new ATOM 0 HA ASN A 30 -15.220 9.471 3.443 1.00 0.35 H new ATOM 0 HB2 ASN A 30 -17.342 10.557 3.380 1.00 0.41 H new ATOM 0 HB3 ASN A 30 -16.127 11.736 2.928 1.00 0.41 H new ATOM 0 HD21 ASN A 30 -17.427 12.368 -0.288 1.00 0.63 H new ATOM 0 HD22 ASN A 30 -16.091 12.608 0.842 1.00 0.63 H new ATOM 1112 N LYS A 31 -17.365 8.048 2.423 1.00 0.32 N ATOM 1113 CA LYS A 31 -18.072 6.843 1.990 1.00 0.31 C ATOM 1114 C LYS A 31 -18.277 6.819 0.473 1.00 0.30 C ATOM 1115 O LYS A 31 -18.004 5.816 -0.186 1.00 0.31 O ATOM 1116 CB LYS A 31 -19.432 6.765 2.684 1.00 0.35 C ATOM 1117 CG LYS A 31 -19.351 6.788 4.201 1.00 0.45 C ATOM 1118 CD LYS A 31 -20.733 6.879 4.824 1.00 0.56 C ATOM 1119 CE LYS A 31 -20.660 6.983 6.337 1.00 1.22 C ATOM 1120 NZ LYS A 31 -21.994 7.243 6.939 1.00 1.70 N ATOM 0 H LYS A 31 -17.811 8.535 3.200 1.00 0.32 H new ATOM 0 HA LYS A 31 -17.459 5.984 2.263 1.00 0.31 H new ATOM 0 HB2 LYS A 31 -20.048 7.600 2.350 1.00 0.35 H new ATOM 0 HB3 LYS A 31 -19.937 5.851 2.371 1.00 0.35 H new ATOM 0 HG2 LYS A 31 -18.849 5.888 4.555 1.00 0.45 H new ATOM 0 HG3 LYS A 31 -18.748 7.637 4.523 1.00 0.45 H new ATOM 0 HD2 LYS A 31 -21.256 7.748 4.424 1.00 0.56 H new ATOM 0 HD3 LYS A 31 -21.316 6.001 4.547 1.00 0.56 H new ATOM 0 HE2 LYS A 31 -20.251 6.059 6.745 1.00 1.22 H new ATOM 0 HE3 LYS A 31 -19.974 7.784 6.613 1.00 1.22 H new ATOM 0 HZ1 LYS A 31 -21.902 7.307 7.973 1.00 1.70 H new ATOM 0 HZ2 LYS A 31 -22.373 8.138 6.569 1.00 1.70 H new ATOM 0 HZ3 LYS A 31 -22.642 6.466 6.697 1.00 1.70 H new ATOM 1134 N SER A 32 -18.729 7.938 -0.072 1.00 0.32 N ATOM 1135 CA SER A 32 -19.069 8.020 -1.483 1.00 0.34 C ATOM 1136 C SER A 32 -17.821 7.954 -2.367 1.00 0.31 C ATOM 1137 O SER A 32 -17.832 7.306 -3.417 1.00 0.34 O ATOM 1138 CB SER A 32 -19.848 9.314 -1.750 1.00 0.43 C ATOM 1139 OG SER A 32 -20.388 9.332 -3.059 1.00 1.29 O ATOM 0 H SER A 32 -18.869 8.806 0.445 1.00 0.32 H new ATOM 0 HA SER A 32 -19.693 7.162 -1.735 1.00 0.34 H new ATOM 0 HB2 SER A 32 -20.653 9.413 -1.022 1.00 0.43 H new ATOM 0 HB3 SER A 32 -19.189 10.172 -1.615 1.00 0.43 H new ATOM 0 HG SER A 32 -20.880 10.168 -3.199 1.00 1.29 H new ATOM 1145 N GLU A 33 -16.736 8.587 -1.923 1.00 0.30 N ATOM 1146 CA GLU A 33 -15.534 8.707 -2.743 1.00 0.31 C ATOM 1147 C GLU A 33 -14.855 7.356 -2.861 1.00 0.26 C ATOM 1148 O GLU A 33 -14.483 6.920 -3.951 1.00 0.27 O ATOM 1149 CB GLU A 33 -14.558 9.715 -2.130 1.00 0.37 C ATOM 1150 CG GLU A 33 -15.204 11.027 -1.709 1.00 0.51 C ATOM 1151 CD GLU A 33 -15.920 11.745 -2.838 1.00 0.88 C ATOM 1152 OE1 GLU A 33 -16.970 11.250 -3.292 1.00 1.46 O ATOM 1153 OE2 GLU A 33 -15.456 12.830 -3.237 1.00 1.68 O ATOM 0 H GLU A 33 -16.666 9.023 -1.003 1.00 0.30 H new ATOM 0 HA GLU A 33 -15.827 9.059 -3.732 1.00 0.31 H new ATOM 0 HB2 GLU A 33 -14.082 9.261 -1.261 1.00 0.37 H new ATOM 0 HB3 GLU A 33 -13.769 9.926 -2.852 1.00 0.37 H new ATOM 0 HG2 GLU A 33 -15.915 10.830 -0.907 1.00 0.51 H new ATOM 0 HG3 GLU A 33 -14.437 11.685 -1.301 1.00 0.51 H new ATOM 1160 N LEU A 34 -14.712 6.693 -1.723 1.00 0.23 N ATOM 1161 CA LEU A 34 -14.112 5.374 -1.682 1.00 0.20 C ATOM 1162 C LEU A 34 -14.950 4.377 -2.456 1.00 0.20 C ATOM 1163 O LEU A 34 -14.412 3.540 -3.176 1.00 0.23 O ATOM 1164 CB LEU A 34 -13.941 4.908 -0.241 1.00 0.18 C ATOM 1165 CG LEU A 34 -12.663 5.383 0.439 1.00 0.18 C ATOM 1166 CD1 LEU A 34 -12.696 5.046 1.915 1.00 0.21 C ATOM 1167 CD2 LEU A 34 -11.461 4.746 -0.232 1.00 0.18 C ATOM 0 H LEU A 34 -15.006 7.051 -0.814 1.00 0.23 H new ATOM 0 HA LEU A 34 -13.129 5.436 -2.149 1.00 0.20 H new ATOM 0 HB2 LEU A 34 -14.795 5.254 0.341 1.00 0.18 H new ATOM 0 HB3 LEU A 34 -13.962 3.818 -0.222 1.00 0.18 H new ATOM 0 HG LEU A 34 -12.586 6.466 0.341 1.00 0.18 H new ATOM 0 HD11 LEU A 34 -11.777 5.391 2.388 1.00 0.21 H new ATOM 0 HD12 LEU A 34 -13.550 5.537 2.381 1.00 0.21 H new ATOM 0 HD13 LEU A 34 -12.785 3.967 2.040 1.00 0.21 H new ATOM 0 HD21 LEU A 34 -10.548 5.087 0.256 1.00 0.18 H new ATOM 0 HD22 LEU A 34 -11.532 3.661 -0.151 1.00 0.18 H new ATOM 0 HD23 LEU A 34 -11.438 5.031 -1.284 1.00 0.18 H new ATOM 1179 N LYS A 35 -16.266 4.479 -2.328 1.00 0.23 N ATOM 1180 CA LYS A 35 -17.147 3.561 -3.023 1.00 0.29 C ATOM 1181 C LYS A 35 -16.934 3.643 -4.522 1.00 0.25 C ATOM 1182 O LYS A 35 -16.725 2.625 -5.168 1.00 0.27 O ATOM 1183 CB LYS A 35 -18.616 3.818 -2.689 1.00 0.42 C ATOM 1184 CG LYS A 35 -19.549 2.799 -3.325 1.00 0.60 C ATOM 1185 CD LYS A 35 -20.940 2.855 -2.724 1.00 0.71 C ATOM 1186 CE LYS A 35 -21.664 4.121 -3.123 1.00 0.53 C ATOM 1187 NZ LYS A 35 -22.981 4.245 -2.447 1.00 0.89 N ATOM 0 H LYS A 35 -16.739 5.179 -1.757 1.00 0.23 H new ATOM 0 HA LYS A 35 -16.897 2.557 -2.682 1.00 0.29 H new ATOM 0 HB2 LYS A 35 -18.747 3.799 -1.607 1.00 0.42 H new ATOM 0 HB3 LYS A 35 -18.892 4.817 -3.026 1.00 0.42 H new ATOM 0 HG2 LYS A 35 -19.609 2.982 -4.398 1.00 0.60 H new ATOM 0 HG3 LYS A 35 -19.137 1.798 -3.195 1.00 0.60 H new ATOM 0 HD2 LYS A 35 -21.514 1.988 -3.050 1.00 0.71 H new ATOM 0 HD3 LYS A 35 -20.871 2.801 -1.638 1.00 0.71 H new ATOM 0 HE2 LYS A 35 -21.047 4.985 -2.876 1.00 0.53 H new ATOM 0 HE3 LYS A 35 -21.809 4.131 -4.203 1.00 0.53 H new ATOM 0 HZ1 LYS A 35 -23.250 5.248 -2.391 1.00 0.89 H new ATOM 0 HZ2 LYS A 35 -23.700 3.724 -2.989 1.00 0.89 H new ATOM 0 HZ3 LYS A 35 -22.917 3.850 -1.487 1.00 0.89 H new ATOM 1201 N GLU A 36 -16.952 4.851 -5.068 1.00 0.25 N ATOM 1202 CA GLU A 36 -16.774 5.019 -6.500 1.00 0.28 C ATOM 1203 C GLU A 36 -15.400 4.503 -6.914 1.00 0.28 C ATOM 1204 O GLU A 36 -15.253 3.859 -7.951 1.00 0.34 O ATOM 1205 CB GLU A 36 -16.934 6.479 -6.912 1.00 0.32 C ATOM 1206 CG GLU A 36 -17.296 6.635 -8.377 1.00 0.66 C ATOM 1207 CD GLU A 36 -17.361 8.078 -8.822 1.00 0.77 C ATOM 1208 OE1 GLU A 36 -18.402 8.731 -8.592 1.00 1.28 O ATOM 1209 OE2 GLU A 36 -16.384 8.560 -9.431 1.00 1.49 O ATOM 0 H GLU A 36 -17.086 5.718 -4.547 1.00 0.25 H new ATOM 0 HA GLU A 36 -17.546 4.442 -7.009 1.00 0.28 H new ATOM 0 HB2 GLU A 36 -17.707 6.943 -6.299 1.00 0.32 H new ATOM 0 HB3 GLU A 36 -16.005 7.013 -6.712 1.00 0.32 H new ATOM 0 HG2 GLU A 36 -16.562 6.106 -8.985 1.00 0.66 H new ATOM 0 HG3 GLU A 36 -18.261 6.161 -8.559 1.00 0.66 H new ATOM 1216 N LEU A 37 -14.408 4.768 -6.075 1.00 0.25 N ATOM 1217 CA LEU A 37 -13.054 4.265 -6.279 1.00 0.27 C ATOM 1218 C LEU A 37 -13.063 2.746 -6.414 1.00 0.23 C ATOM 1219 O LEU A 37 -12.571 2.193 -7.403 1.00 0.24 O ATOM 1220 CB LEU A 37 -12.182 4.697 -5.096 1.00 0.32 C ATOM 1221 CG LEU A 37 -10.680 4.482 -5.254 1.00 0.40 C ATOM 1222 CD1 LEU A 37 -9.930 5.691 -4.725 1.00 0.33 C ATOM 1223 CD2 LEU A 37 -10.236 3.232 -4.515 1.00 0.74 C ATOM 0 H LEU A 37 -14.517 5.336 -5.235 1.00 0.25 H new ATOM 0 HA LEU A 37 -12.646 4.678 -7.201 1.00 0.27 H new ATOM 0 HB2 LEU A 37 -12.359 5.756 -4.908 1.00 0.32 H new ATOM 0 HB3 LEU A 37 -12.514 4.157 -4.210 1.00 0.32 H new ATOM 0 HG LEU A 37 -10.457 4.353 -6.313 1.00 0.40 H new ATOM 0 HD11 LEU A 37 -8.858 5.533 -4.840 1.00 0.33 H new ATOM 0 HD12 LEU A 37 -10.228 6.578 -5.285 1.00 0.33 H new ATOM 0 HD13 LEU A 37 -10.165 5.832 -3.670 1.00 0.33 H new ATOM 0 HD21 LEU A 37 -9.162 3.097 -4.641 1.00 0.74 H new ATOM 0 HD22 LEU A 37 -10.467 3.335 -3.455 1.00 0.74 H new ATOM 0 HD23 LEU A 37 -10.760 2.365 -4.918 1.00 0.74 H new ATOM 1235 N LEU A 38 -13.654 2.081 -5.432 1.00 0.20 N ATOM 1236 CA LEU A 38 -13.708 0.628 -5.409 1.00 0.20 C ATOM 1237 C LEU A 38 -14.628 0.071 -6.497 1.00 0.22 C ATOM 1238 O LEU A 38 -14.366 -0.989 -7.044 1.00 0.24 O ATOM 1239 CB LEU A 38 -14.136 0.130 -4.025 1.00 0.19 C ATOM 1240 CG LEU A 38 -13.026 0.128 -2.967 1.00 0.18 C ATOM 1241 CD1 LEU A 38 -13.380 1.042 -1.808 1.00 0.19 C ATOM 1242 CD2 LEU A 38 -12.772 -1.284 -2.464 1.00 0.21 C ATOM 0 H LEU A 38 -14.106 2.530 -4.635 1.00 0.20 H new ATOM 0 HA LEU A 38 -12.704 0.259 -5.619 1.00 0.20 H new ATOM 0 HB2 LEU A 38 -14.956 0.753 -3.669 1.00 0.19 H new ATOM 0 HB3 LEU A 38 -14.525 -0.883 -4.124 1.00 0.19 H new ATOM 0 HG LEU A 38 -12.115 0.503 -3.433 1.00 0.18 H new ATOM 0 HD11 LEU A 38 -12.577 1.023 -1.071 1.00 0.19 H new ATOM 0 HD12 LEU A 38 -13.512 2.060 -2.175 1.00 0.19 H new ATOM 0 HD13 LEU A 38 -14.306 0.700 -1.345 1.00 0.19 H new ATOM 0 HD21 LEU A 38 -11.981 -1.266 -1.714 1.00 0.21 H new ATOM 0 HD22 LEU A 38 -13.685 -1.682 -2.020 1.00 0.21 H new ATOM 0 HD23 LEU A 38 -12.468 -1.918 -3.297 1.00 0.21 H new ATOM 1254 N THR A 39 -15.690 0.788 -6.832 1.00 0.23 N ATOM 1255 CA THR A 39 -16.615 0.327 -7.871 1.00 0.26 C ATOM 1256 C THR A 39 -15.944 0.386 -9.230 1.00 0.27 C ATOM 1257 O THR A 39 -16.325 -0.314 -10.169 1.00 0.30 O ATOM 1258 CB THR A 39 -17.911 1.165 -7.936 1.00 0.29 C ATOM 1259 OG1 THR A 39 -17.604 2.554 -8.118 1.00 0.33 O ATOM 1260 CG2 THR A 39 -18.745 0.988 -6.683 1.00 0.30 C ATOM 0 H THR A 39 -15.936 1.683 -6.408 1.00 0.23 H new ATOM 0 HA THR A 39 -16.883 -0.697 -7.609 1.00 0.26 H new ATOM 0 HB THR A 39 -18.489 0.809 -8.789 1.00 0.29 H new ATOM 0 HG1 THR A 39 -16.633 2.682 -8.078 1.00 0.33 H new ATOM 0 HG21 THR A 39 -19.650 1.591 -6.760 1.00 0.30 H new ATOM 0 HG22 THR A 39 -19.017 -0.062 -6.572 1.00 0.30 H new ATOM 0 HG23 THR A 39 -18.169 1.308 -5.814 1.00 0.30 H new ATOM 1268 N ARG A 40 -14.934 1.228 -9.313 1.00 0.27 N ATOM 1269 CA ARG A 40 -14.269 1.504 -10.561 1.00 0.30 C ATOM 1270 C ARG A 40 -13.113 0.554 -10.816 1.00 0.29 C ATOM 1271 O ARG A 40 -13.185 -0.303 -11.699 1.00 0.33 O ATOM 1272 CB ARG A 40 -13.784 2.948 -10.566 1.00 0.34 C ATOM 1273 CG ARG A 40 -14.818 3.923 -11.093 1.00 0.36 C ATOM 1274 CD ARG A 40 -15.252 3.513 -12.482 1.00 0.47 C ATOM 1275 NE ARG A 40 -14.090 3.199 -13.319 1.00 0.67 N ATOM 1276 CZ ARG A 40 -14.142 2.946 -14.622 1.00 0.90 C ATOM 1277 NH1 ARG A 40 -15.284 3.065 -15.288 1.00 1.24 N ATOM 1278 NH2 ARG A 40 -13.033 2.598 -15.260 1.00 1.09 N ATOM 0 H ARG A 40 -14.555 1.738 -8.515 1.00 0.27 H new ATOM 0 HA ARG A 40 -14.987 1.353 -11.367 1.00 0.30 H new ATOM 0 HB2 ARG A 40 -13.507 3.235 -9.552 1.00 0.34 H new ATOM 0 HB3 ARG A 40 -12.883 3.020 -11.175 1.00 0.34 H new ATOM 0 HG2 ARG A 40 -15.680 3.948 -10.426 1.00 0.36 H new ATOM 0 HG3 ARG A 40 -14.402 4.930 -11.115 1.00 0.36 H new ATOM 0 HD2 ARG A 40 -15.908 2.644 -12.421 1.00 0.47 H new ATOM 0 HD3 ARG A 40 -15.829 4.317 -12.940 1.00 0.47 H new ATOM 0 HE ARG A 40 -13.175 3.173 -12.868 1.00 0.67 H new ATOM 0 HH11 ARG A 40 -16.132 3.353 -14.799 1.00 1.24 H new ATOM 0 HH12 ARG A 40 -15.314 2.869 -16.288 1.00 1.24 H new ATOM 0 HH21 ARG A 40 -12.152 2.527 -14.750 1.00 1.09 H new ATOM 0 HH22 ARG A 40 -13.061 2.401 -16.260 1.00 1.09 H new ATOM 1292 N GLU A 41 -12.050 0.701 -10.046 1.00 0.29 N ATOM 1293 CA GLU A 41 -10.841 -0.059 -10.296 1.00 0.32 C ATOM 1294 C GLU A 41 -10.702 -1.259 -9.361 1.00 0.35 C ATOM 1295 O GLU A 41 -9.827 -2.096 -9.561 1.00 0.46 O ATOM 1296 CB GLU A 41 -9.609 0.840 -10.207 1.00 0.38 C ATOM 1297 CG GLU A 41 -9.354 1.671 -11.460 1.00 0.47 C ATOM 1298 CD GLU A 41 -10.361 2.793 -11.672 1.00 0.83 C ATOM 1299 OE1 GLU A 41 -10.207 3.867 -11.051 1.00 1.54 O ATOM 1300 OE2 GLU A 41 -11.303 2.607 -12.477 1.00 1.60 O ATOM 0 H GLU A 41 -12.000 1.335 -9.248 1.00 0.29 H new ATOM 0 HA GLU A 41 -10.917 -0.452 -11.310 1.00 0.32 H new ATOM 0 HB2 GLU A 41 -9.723 1.511 -9.356 1.00 0.38 H new ATOM 0 HB3 GLU A 41 -8.734 0.221 -10.010 1.00 0.38 H new ATOM 0 HG2 GLU A 41 -8.354 2.100 -11.402 1.00 0.47 H new ATOM 0 HG3 GLU A 41 -9.369 1.014 -12.329 1.00 0.47 H new ATOM 1307 N LEU A 42 -11.565 -1.359 -8.352 1.00 0.28 N ATOM 1308 CA LEU A 42 -11.499 -2.491 -7.422 1.00 0.29 C ATOM 1309 C LEU A 42 -12.805 -3.306 -7.385 1.00 0.28 C ATOM 1310 O LEU A 42 -13.220 -3.732 -6.308 1.00 0.26 O ATOM 1311 CB LEU A 42 -11.199 -2.010 -5.990 1.00 0.27 C ATOM 1312 CG LEU A 42 -9.954 -1.145 -5.801 1.00 0.27 C ATOM 1313 CD1 LEU A 42 -10.224 0.299 -6.204 1.00 0.27 C ATOM 1314 CD2 LEU A 42 -9.481 -1.223 -4.357 1.00 0.31 C ATOM 0 H LEU A 42 -12.306 -0.686 -8.157 1.00 0.28 H new ATOM 0 HA LEU A 42 -10.696 -3.129 -7.790 1.00 0.29 H new ATOM 0 HB2 LEU A 42 -12.061 -1.447 -5.633 1.00 0.27 H new ATOM 0 HB3 LEU A 42 -11.104 -2.887 -5.350 1.00 0.27 H new ATOM 0 HG LEU A 42 -9.166 -1.527 -6.450 1.00 0.27 H new ATOM 0 HD11 LEU A 42 -9.321 0.892 -6.059 1.00 0.27 H new ATOM 0 HD12 LEU A 42 -10.518 0.335 -7.253 1.00 0.27 H new ATOM 0 HD13 LEU A 42 -11.027 0.705 -5.588 1.00 0.27 H new ATOM 0 HD21 LEU A 42 -8.593 -0.603 -4.231 1.00 0.31 H new ATOM 0 HD22 LEU A 42 -10.270 -0.865 -3.696 1.00 0.31 H new ATOM 0 HD23 LEU A 42 -9.240 -2.257 -4.108 1.00 0.31 H new ATOM 1326 N PRO A 43 -13.472 -3.582 -8.534 1.00 0.32 N ATOM 1327 CA PRO A 43 -14.769 -4.268 -8.522 1.00 0.34 C ATOM 1328 C PRO A 43 -14.629 -5.707 -8.053 1.00 0.35 C ATOM 1329 O PRO A 43 -15.537 -6.272 -7.438 1.00 0.38 O ATOM 1330 CB PRO A 43 -15.238 -4.225 -9.982 1.00 0.43 C ATOM 1331 CG PRO A 43 -14.327 -3.261 -10.662 1.00 0.52 C ATOM 1332 CD PRO A 43 -13.034 -3.308 -9.908 1.00 0.36 C ATOM 0 HA PRO A 43 -15.473 -3.794 -7.838 1.00 0.34 H new ATOM 0 HB2 PRO A 43 -15.181 -5.211 -10.442 1.00 0.43 H new ATOM 0 HB3 PRO A 43 -16.276 -3.901 -10.052 1.00 0.43 H new ATOM 0 HG2 PRO A 43 -14.179 -3.535 -11.707 1.00 0.52 H new ATOM 0 HG3 PRO A 43 -14.747 -2.255 -10.653 1.00 0.52 H new ATOM 0 HD2 PRO A 43 -12.373 -4.088 -10.286 1.00 0.36 H new ATOM 0 HD3 PRO A 43 -12.489 -2.367 -9.979 1.00 0.36 H new ATOM 1340 N SER A 44 -13.472 -6.284 -8.338 1.00 0.37 N ATOM 1341 CA SER A 44 -13.159 -7.631 -7.907 1.00 0.41 C ATOM 1342 C SER A 44 -13.033 -7.676 -6.390 1.00 0.37 C ATOM 1343 O SER A 44 -13.415 -8.653 -5.754 1.00 0.42 O ATOM 1344 CB SER A 44 -11.867 -8.088 -8.584 1.00 0.48 C ATOM 1345 OG SER A 44 -10.922 -7.028 -8.633 1.00 1.09 O ATOM 0 H SER A 44 -12.730 -5.832 -8.872 1.00 0.37 H new ATOM 0 HA SER A 44 -13.962 -8.309 -8.195 1.00 0.41 H new ATOM 0 HB2 SER A 44 -11.445 -8.933 -8.040 1.00 0.48 H new ATOM 0 HB3 SER A 44 -12.083 -8.436 -9.594 1.00 0.48 H new ATOM 0 HG SER A 44 -10.732 -6.716 -7.723 1.00 1.09 H new ATOM 1351 N PHE A 45 -12.554 -6.573 -5.820 1.00 0.33 N ATOM 1352 CA PHE A 45 -12.361 -6.467 -4.381 1.00 0.34 C ATOM 1353 C PHE A 45 -13.645 -5.999 -3.701 1.00 0.36 C ATOM 1354 O PHE A 45 -13.642 -5.614 -2.530 1.00 0.40 O ATOM 1355 CB PHE A 45 -11.212 -5.506 -4.068 1.00 0.33 C ATOM 1356 CG PHE A 45 -9.931 -5.862 -4.771 1.00 0.35 C ATOM 1357 CD1 PHE A 45 -9.124 -6.877 -4.292 1.00 1.17 C ATOM 1358 CD2 PHE A 45 -9.541 -5.187 -5.917 1.00 1.31 C ATOM 1359 CE1 PHE A 45 -7.951 -7.214 -4.938 1.00 1.15 C ATOM 1360 CE2 PHE A 45 -8.370 -5.519 -6.570 1.00 1.36 C ATOM 1361 CZ PHE A 45 -7.574 -6.534 -6.080 1.00 0.46 C ATOM 0 H PHE A 45 -12.291 -5.736 -6.340 1.00 0.33 H new ATOM 0 HA PHE A 45 -12.106 -7.453 -3.994 1.00 0.34 H new ATOM 0 HB2 PHE A 45 -11.505 -4.495 -4.352 1.00 0.33 H new ATOM 0 HB3 PHE A 45 -11.038 -5.497 -2.992 1.00 0.33 H new ATOM 0 HD1 PHE A 45 -9.415 -7.413 -3.401 1.00 1.17 H new ATOM 0 HD2 PHE A 45 -10.160 -4.392 -6.304 1.00 1.31 H new ATOM 0 HE1 PHE A 45 -7.329 -8.008 -4.551 1.00 1.15 H new ATOM 0 HE2 PHE A 45 -8.078 -4.985 -7.462 1.00 1.36 H new ATOM 0 HZ PHE A 45 -6.658 -6.796 -6.588 1.00 0.46 H new ATOM 1371 N LEU A 46 -14.740 -6.000 -4.449 1.00 0.36 N ATOM 1372 CA LEU A 46 -16.039 -5.704 -3.875 1.00 0.40 C ATOM 1373 C LEU A 46 -16.894 -6.950 -3.814 1.00 0.55 C ATOM 1374 O LEU A 46 -17.704 -7.095 -2.904 1.00 0.70 O ATOM 1375 CB LEU A 46 -16.750 -4.596 -4.640 1.00 0.35 C ATOM 1376 CG LEU A 46 -16.037 -3.253 -4.570 1.00 0.32 C ATOM 1377 CD1 LEU A 46 -16.844 -2.187 -5.283 1.00 0.34 C ATOM 1378 CD2 LEU A 46 -15.795 -2.882 -3.111 1.00 0.30 C ATOM 0 H LEU A 46 -14.752 -6.202 -5.449 1.00 0.36 H new ATOM 0 HA LEU A 46 -15.877 -5.348 -2.858 1.00 0.40 H new ATOM 0 HB2 LEU A 46 -16.848 -4.892 -5.684 1.00 0.35 H new ATOM 0 HB3 LEU A 46 -17.760 -4.483 -4.245 1.00 0.35 H new ATOM 0 HG LEU A 46 -15.073 -3.327 -5.074 1.00 0.32 H new ATOM 0 HD11 LEU A 46 -16.320 -1.233 -5.223 1.00 0.34 H new ATOM 0 HD12 LEU A 46 -16.972 -2.466 -6.329 1.00 0.34 H new ATOM 0 HD13 LEU A 46 -17.822 -2.094 -4.810 1.00 0.34 H new ATOM 0 HD21 LEU A 46 -15.284 -1.920 -3.060 1.00 0.30 H new ATOM 0 HD22 LEU A 46 -16.750 -2.814 -2.590 1.00 0.30 H new ATOM 0 HD23 LEU A 46 -15.177 -3.646 -2.639 1.00 0.30 H new ATOM 1390 N GLY A 47 -16.713 -7.822 -4.791 1.00 0.64 N ATOM 1391 CA GLY A 47 -17.319 -9.140 -4.762 1.00 0.82 C ATOM 1392 C GLY A 47 -18.593 -9.252 -5.572 1.00 0.87 C ATOM 1393 O GLY A 47 -18.832 -10.288 -6.194 1.00 1.23 O ATOM 0 H GLY A 47 -16.147 -7.638 -5.619 1.00 0.64 H new ATOM 0 HA2 GLY A 47 -16.599 -9.868 -5.135 1.00 0.82 H new ATOM 0 HA3 GLY A 47 -17.534 -9.407 -3.727 1.00 0.82 H new ATOM 1397 N LYS A 48 -19.382 -8.173 -5.606 1.00 0.79 N ATOM 1398 CA LYS A 48 -20.682 -8.166 -6.288 1.00 0.95 C ATOM 1399 C LYS A 48 -21.499 -6.956 -5.859 1.00 0.73 C ATOM 1400 O LYS A 48 -21.614 -5.975 -6.591 1.00 0.97 O ATOM 1401 CB LYS A 48 -21.487 -9.443 -5.987 1.00 1.43 C ATOM 1402 CG LYS A 48 -22.834 -9.517 -6.699 1.00 2.17 C ATOM 1403 CD LYS A 48 -22.681 -9.516 -8.216 1.00 2.32 C ATOM 1404 CE LYS A 48 -21.962 -10.763 -8.716 1.00 2.88 C ATOM 1405 NZ LYS A 48 -22.708 -12.009 -8.394 1.00 3.51 N ATOM 0 H LYS A 48 -19.141 -7.285 -5.165 1.00 0.79 H new ATOM 0 HA LYS A 48 -20.484 -8.121 -7.359 1.00 0.95 H new ATOM 0 HB2 LYS A 48 -20.891 -10.310 -6.271 1.00 1.43 H new ATOM 0 HB3 LYS A 48 -21.653 -9.509 -4.912 1.00 1.43 H new ATOM 0 HG2 LYS A 48 -23.359 -10.421 -6.388 1.00 2.17 H new ATOM 0 HG3 LYS A 48 -23.451 -8.671 -6.397 1.00 2.17 H new ATOM 0 HD2 LYS A 48 -23.665 -9.454 -8.680 1.00 2.32 H new ATOM 0 HD3 LYS A 48 -22.127 -8.629 -8.524 1.00 2.32 H new ATOM 0 HE2 LYS A 48 -21.824 -10.693 -9.795 1.00 2.88 H new ATOM 0 HE3 LYS A 48 -20.969 -10.811 -8.270 1.00 2.88 H new ATOM 0 HZ1 LYS A 48 -22.297 -12.806 -8.921 1.00 3.51 H new ATOM 0 HZ2 LYS A 48 -22.643 -12.198 -7.373 1.00 3.51 H new ATOM 0 HZ3 LYS A 48 -23.706 -11.895 -8.662 1.00 3.51 H new ATOM 1419 N ARG A 49 -22.046 -7.030 -4.655 1.00 0.73 N ATOM 1420 CA ARG A 49 -22.940 -5.992 -4.156 1.00 0.70 C ATOM 1421 C ARG A 49 -22.226 -5.091 -3.156 1.00 0.61 C ATOM 1422 O ARG A 49 -21.967 -5.473 -2.014 1.00 0.75 O ATOM 1423 CB ARG A 49 -24.203 -6.614 -3.534 1.00 0.97 C ATOM 1424 CG ARG A 49 -23.943 -7.497 -2.323 1.00 1.10 C ATOM 1425 CD ARG A 49 -25.237 -8.056 -1.751 1.00 1.54 C ATOM 1426 NE ARG A 49 -25.840 -9.048 -2.637 1.00 2.02 N ATOM 1427 CZ ARG A 49 -27.146 -9.146 -2.872 1.00 2.68 C ATOM 1428 NH1 ARG A 49 -27.994 -8.295 -2.299 1.00 3.06 N ATOM 1429 NH2 ARG A 49 -27.602 -10.092 -3.684 1.00 3.24 N ATOM 0 H ARG A 49 -21.887 -7.799 -4.003 1.00 0.73 H new ATOM 0 HA ARG A 49 -23.247 -5.375 -5.000 1.00 0.70 H new ATOM 0 HB2 ARG A 49 -24.882 -5.812 -3.244 1.00 0.97 H new ATOM 0 HB3 ARG A 49 -24.714 -7.204 -4.295 1.00 0.97 H new ATOM 0 HG2 ARG A 49 -23.284 -8.318 -2.605 1.00 1.10 H new ATOM 0 HG3 ARG A 49 -23.424 -6.921 -1.557 1.00 1.10 H new ATOM 0 HD2 ARG A 49 -25.039 -8.509 -0.780 1.00 1.54 H new ATOM 0 HD3 ARG A 49 -25.942 -7.242 -1.584 1.00 1.54 H new ATOM 0 HE ARG A 49 -25.220 -9.708 -3.106 1.00 2.02 H new ATOM 0 HH11 ARG A 49 -27.643 -7.566 -1.678 1.00 3.06 H new ATOM 0 HH12 ARG A 49 -28.995 -8.372 -2.481 1.00 3.06 H new ATOM 0 HH21 ARG A 49 -26.952 -10.742 -4.126 1.00 3.24 H new ATOM 0 HH22 ARG A 49 -28.603 -10.169 -3.866 1.00 3.24 H new ATOM 1443 N THR A 50 -21.828 -3.920 -3.613 1.00 0.55 N ATOM 1444 CA THR A 50 -21.237 -2.947 -2.727 1.00 0.50 C ATOM 1445 C THR A 50 -22.083 -1.709 -2.582 1.00 0.50 C ATOM 1446 O THR A 50 -22.085 -0.821 -3.439 1.00 0.56 O ATOM 1447 CB THR A 50 -19.829 -2.582 -3.149 1.00 0.54 C ATOM 1448 OG1 THR A 50 -19.693 -2.762 -4.566 1.00 0.91 O ATOM 1449 CG2 THR A 50 -18.854 -3.459 -2.396 1.00 0.51 C ATOM 0 H THR A 50 -21.904 -3.624 -4.586 1.00 0.55 H new ATOM 0 HA THR A 50 -21.186 -3.424 -1.748 1.00 0.50 H new ATOM 0 HB THR A 50 -19.619 -1.538 -2.916 1.00 0.54 H new ATOM 0 HG1 THR A 50 -19.806 -1.900 -5.018 1.00 0.91 H new ATOM 0 HG21 THR A 50 -17.835 -3.207 -2.690 1.00 0.51 H new ATOM 0 HG22 THR A 50 -18.972 -3.298 -1.324 1.00 0.51 H new ATOM 0 HG23 THR A 50 -19.051 -4.505 -2.630 1.00 0.51 H new ATOM 1457 N ASP A 51 -22.812 -1.684 -1.501 1.00 0.49 N ATOM 1458 CA ASP A 51 -23.600 -0.523 -1.127 1.00 0.51 C ATOM 1459 C ASP A 51 -23.011 0.086 0.142 1.00 0.44 C ATOM 1460 O ASP A 51 -21.906 -0.279 0.550 1.00 0.43 O ATOM 1461 CB ASP A 51 -25.069 -0.913 -0.921 1.00 0.60 C ATOM 1462 CG ASP A 51 -26.008 0.268 -1.070 1.00 1.15 C ATOM 1463 OD1 ASP A 51 -26.463 0.532 -2.205 1.00 1.72 O ATOM 1464 OD2 ASP A 51 -26.288 0.944 -0.062 1.00 1.94 O ATOM 0 H ASP A 51 -22.882 -2.464 -0.848 1.00 0.49 H new ATOM 0 HA ASP A 51 -23.567 0.216 -1.927 1.00 0.51 H new ATOM 0 HB2 ASP A 51 -25.342 -1.684 -1.642 1.00 0.60 H new ATOM 0 HB3 ASP A 51 -25.191 -1.347 0.071 1.00 0.60 H new ATOM 1469 N GLU A 52 -23.752 0.979 0.782 1.00 0.47 N ATOM 1470 CA GLU A 52 -23.311 1.594 2.030 1.00 0.46 C ATOM 1471 C GLU A 52 -23.232 0.543 3.134 1.00 0.46 C ATOM 1472 O GLU A 52 -22.591 0.749 4.165 1.00 0.46 O ATOM 1473 CB GLU A 52 -24.281 2.704 2.440 1.00 0.49 C ATOM 1474 CG GLU A 52 -24.465 3.786 1.387 1.00 0.52 C ATOM 1475 CD GLU A 52 -23.183 4.533 1.088 1.00 0.71 C ATOM 1476 OE1 GLU A 52 -22.838 5.459 1.851 1.00 1.44 O ATOM 1477 OE2 GLU A 52 -22.514 4.193 0.097 1.00 1.27 O ATOM 0 H GLU A 52 -24.666 1.296 0.458 1.00 0.47 H new ATOM 0 HA GLU A 52 -22.321 2.024 1.878 1.00 0.46 H new ATOM 0 HB2 GLU A 52 -25.251 2.260 2.663 1.00 0.49 H new ATOM 0 HB3 GLU A 52 -23.922 3.165 3.360 1.00 0.49 H new ATOM 0 HG2 GLU A 52 -24.840 3.334 0.469 1.00 0.52 H new ATOM 0 HG3 GLU A 52 -25.222 4.493 1.727 1.00 0.52 H new ATOM 1484 N ALA A 53 -23.895 -0.584 2.897 1.00 0.52 N ATOM 1485 CA ALA A 53 -23.922 -1.689 3.838 1.00 0.58 C ATOM 1486 C ALA A 53 -22.526 -2.261 4.069 1.00 0.57 C ATOM 1487 O ALA A 53 -22.019 -2.242 5.189 1.00 0.68 O ATOM 1488 CB ALA A 53 -24.858 -2.774 3.336 1.00 0.65 C ATOM 0 H ALA A 53 -24.429 -0.753 2.044 1.00 0.52 H new ATOM 0 HA ALA A 53 -24.287 -1.310 4.793 1.00 0.58 H new ATOM 0 HB1 ALA A 53 -24.873 -3.600 4.048 1.00 0.65 H new ATOM 0 HB2 ALA A 53 -25.864 -2.367 3.231 1.00 0.65 H new ATOM 0 HB3 ALA A 53 -24.510 -3.135 2.368 1.00 0.65 H new ATOM 1494 N ALA A 54 -21.900 -2.761 3.008 1.00 0.49 N ATOM 1495 CA ALA A 54 -20.577 -3.362 3.127 1.00 0.50 C ATOM 1496 C ALA A 54 -19.514 -2.305 3.388 1.00 0.45 C ATOM 1497 O ALA A 54 -18.500 -2.572 4.037 1.00 0.52 O ATOM 1498 CB ALA A 54 -20.223 -4.154 1.877 1.00 0.49 C ATOM 0 H ALA A 54 -22.284 -2.762 2.063 1.00 0.49 H new ATOM 0 HA ALA A 54 -20.605 -4.043 3.977 1.00 0.50 H new ATOM 0 HB1 ALA A 54 -19.231 -4.592 1.992 1.00 0.49 H new ATOM 0 HB2 ALA A 54 -20.955 -4.948 1.730 1.00 0.49 H new ATOM 0 HB3 ALA A 54 -20.229 -3.491 1.012 1.00 0.49 H new ATOM 1504 N PHE A 55 -19.744 -1.102 2.886 1.00 0.36 N ATOM 1505 CA PHE A 55 -18.790 -0.017 3.062 1.00 0.32 C ATOM 1506 C PHE A 55 -18.772 0.482 4.499 1.00 0.34 C ATOM 1507 O PHE A 55 -17.817 1.128 4.917 1.00 0.34 O ATOM 1508 CB PHE A 55 -19.073 1.120 2.085 1.00 0.31 C ATOM 1509 CG PHE A 55 -18.401 0.913 0.761 1.00 0.28 C ATOM 1510 CD1 PHE A 55 -18.970 0.106 -0.209 1.00 1.20 C ATOM 1511 CD2 PHE A 55 -17.181 1.508 0.500 1.00 1.20 C ATOM 1512 CE1 PHE A 55 -18.335 -0.097 -1.416 1.00 1.21 C ATOM 1513 CE2 PHE A 55 -16.539 1.307 -0.703 1.00 1.20 C ATOM 1514 CZ PHE A 55 -17.118 0.502 -1.665 1.00 0.31 C ATOM 0 H PHE A 55 -20.579 -0.852 2.356 1.00 0.36 H new ATOM 0 HA PHE A 55 -17.797 -0.410 2.843 1.00 0.32 H new ATOM 0 HB2 PHE A 55 -20.149 1.207 1.934 1.00 0.31 H new ATOM 0 HB3 PHE A 55 -18.735 2.061 2.518 1.00 0.31 H new ATOM 0 HD1 PHE A 55 -19.921 -0.369 -0.019 1.00 1.20 H new ATOM 0 HD2 PHE A 55 -16.725 2.139 1.249 1.00 1.20 H new ATOM 0 HE1 PHE A 55 -18.791 -0.725 -2.167 1.00 1.21 H new ATOM 0 HE2 PHE A 55 -15.586 1.778 -0.893 1.00 1.20 H new ATOM 0 HZ PHE A 55 -16.619 0.342 -2.609 1.00 0.31 H new ATOM 1524 N GLN A 56 -19.814 0.155 5.255 1.00 0.37 N ATOM 1525 CA GLN A 56 -19.862 0.474 6.678 1.00 0.40 C ATOM 1526 C GLN A 56 -18.695 -0.192 7.410 1.00 0.37 C ATOM 1527 O GLN A 56 -18.174 0.335 8.394 1.00 0.42 O ATOM 1528 CB GLN A 56 -21.194 0.006 7.271 1.00 0.46 C ATOM 1529 CG GLN A 56 -21.328 0.254 8.764 1.00 0.58 C ATOM 1530 CD GLN A 56 -22.601 -0.334 9.338 1.00 0.68 C ATOM 1531 OE1 GLN A 56 -22.629 -1.491 9.756 1.00 1.42 O ATOM 1532 NE2 GLN A 56 -23.662 0.455 9.363 1.00 1.00 N ATOM 0 H GLN A 56 -20.639 -0.332 4.905 1.00 0.37 H new ATOM 0 HA GLN A 56 -19.778 1.554 6.801 1.00 0.40 H new ATOM 0 HB2 GLN A 56 -22.008 0.514 6.754 1.00 0.46 H new ATOM 0 HB3 GLN A 56 -21.311 -1.061 7.079 1.00 0.46 H new ATOM 0 HG2 GLN A 56 -20.469 -0.176 9.279 1.00 0.58 H new ATOM 0 HG3 GLN A 56 -21.309 1.327 8.954 1.00 0.58 H new ATOM 0 HE21 GLN A 56 -23.597 1.408 9.007 1.00 1.00 H new ATOM 0 HE22 GLN A 56 -24.545 0.110 9.739 1.00 1.00 H new ATOM 1541 N LYS A 57 -18.276 -1.346 6.903 1.00 0.34 N ATOM 1542 CA LYS A 57 -17.171 -2.084 7.490 1.00 0.35 C ATOM 1543 C LYS A 57 -15.845 -1.533 6.983 1.00 0.29 C ATOM 1544 O LYS A 57 -14.979 -1.153 7.770 1.00 0.34 O ATOM 1545 CB LYS A 57 -17.291 -3.573 7.142 1.00 0.47 C ATOM 1546 CG LYS A 57 -16.041 -4.400 7.437 1.00 0.85 C ATOM 1547 CD LYS A 57 -15.974 -4.889 8.881 1.00 0.57 C ATOM 1548 CE LYS A 57 -15.755 -3.763 9.882 1.00 0.63 C ATOM 1549 NZ LYS A 57 -15.547 -4.293 11.255 1.00 0.92 N ATOM 0 H LYS A 57 -18.689 -1.790 6.083 1.00 0.34 H new ATOM 0 HA LYS A 57 -17.207 -1.971 8.573 1.00 0.35 H new ATOM 0 HB2 LYS A 57 -18.129 -3.995 7.697 1.00 0.47 H new ATOM 0 HB3 LYS A 57 -17.530 -3.667 6.083 1.00 0.47 H new ATOM 0 HG2 LYS A 57 -16.015 -5.259 6.767 1.00 0.85 H new ATOM 0 HG3 LYS A 57 -15.157 -3.800 7.221 1.00 0.85 H new ATOM 0 HD2 LYS A 57 -16.900 -5.410 9.126 1.00 0.57 H new ATOM 0 HD3 LYS A 57 -15.166 -5.614 8.976 1.00 0.57 H new ATOM 0 HE2 LYS A 57 -14.890 -3.171 9.583 1.00 0.63 H new ATOM 0 HE3 LYS A 57 -16.616 -3.095 9.875 1.00 0.63 H new ATOM 0 HZ1 LYS A 57 -15.401 -3.502 11.914 1.00 0.92 H new ATOM 0 HZ2 LYS A 57 -16.384 -4.837 11.548 1.00 0.92 H new ATOM 0 HZ3 LYS A 57 -14.711 -4.911 11.265 1.00 0.92 H new ATOM 1563 N LEU A 58 -15.719 -1.475 5.662 1.00 0.24 N ATOM 1564 CA LEU A 58 -14.497 -1.021 5.005 1.00 0.20 C ATOM 1565 C LEU A 58 -14.063 0.346 5.527 1.00 0.20 C ATOM 1566 O LEU A 58 -12.970 0.498 6.067 1.00 0.22 O ATOM 1567 CB LEU A 58 -14.733 -0.953 3.496 1.00 0.20 C ATOM 1568 CG LEU A 58 -13.588 -0.355 2.683 1.00 0.19 C ATOM 1569 CD1 LEU A 58 -12.283 -1.052 3.019 1.00 0.20 C ATOM 1570 CD2 LEU A 58 -13.889 -0.449 1.195 1.00 0.23 C ATOM 0 H LEU A 58 -16.461 -1.741 5.015 1.00 0.24 H new ATOM 0 HA LEU A 58 -13.699 -1.731 5.225 1.00 0.20 H new ATOM 0 HB2 LEU A 58 -14.929 -1.961 3.130 1.00 0.20 H new ATOM 0 HB3 LEU A 58 -15.633 -0.366 3.312 1.00 0.20 H new ATOM 0 HG LEU A 58 -13.487 0.699 2.942 1.00 0.19 H new ATOM 0 HD11 LEU A 58 -11.475 -0.615 2.432 1.00 0.20 H new ATOM 0 HD12 LEU A 58 -12.067 -0.929 4.080 1.00 0.20 H new ATOM 0 HD13 LEU A 58 -12.367 -2.114 2.787 1.00 0.20 H new ATOM 0 HD21 LEU A 58 -13.063 -0.018 0.629 1.00 0.23 H new ATOM 0 HD22 LEU A 58 -14.015 -1.495 0.915 1.00 0.23 H new ATOM 0 HD23 LEU A 58 -14.805 0.099 0.974 1.00 0.23 H new ATOM 1582 N MET A 59 -14.929 1.321 5.318 1.00 0.21 N ATOM 1583 CA MET A 59 -14.771 2.679 5.845 1.00 0.26 C ATOM 1584 C MET A 59 -14.142 2.706 7.242 1.00 0.27 C ATOM 1585 O MET A 59 -13.200 3.455 7.496 1.00 0.33 O ATOM 1586 CB MET A 59 -16.142 3.350 5.917 1.00 0.36 C ATOM 1587 CG MET A 59 -16.075 4.846 5.765 1.00 0.34 C ATOM 1588 SD MET A 59 -15.563 5.307 4.108 1.00 0.72 S ATOM 1589 CE MET A 59 -14.725 6.831 4.470 1.00 0.32 C ATOM 0 H MET A 59 -15.779 1.197 4.769 1.00 0.21 H new ATOM 0 HA MET A 59 -14.100 3.209 5.169 1.00 0.26 H new ATOM 0 HB2 MET A 59 -16.782 2.940 5.136 1.00 0.36 H new ATOM 0 HB3 MET A 59 -16.609 3.108 6.872 1.00 0.36 H new ATOM 0 HG2 MET A 59 -17.051 5.280 5.981 1.00 0.34 H new ATOM 0 HG3 MET A 59 -15.375 5.257 6.492 1.00 0.34 H new ATOM 0 HE1 MET A 59 -13.974 7.024 3.704 1.00 0.32 H new ATOM 0 HE2 MET A 59 -15.446 7.648 4.485 1.00 0.32 H new ATOM 0 HE3 MET A 59 -14.240 6.757 5.443 1.00 0.32 H new ATOM 1599 N SER A 60 -14.670 1.879 8.134 1.00 0.28 N ATOM 1600 CA SER A 60 -14.253 1.870 9.533 1.00 0.35 C ATOM 1601 C SER A 60 -12.886 1.221 9.703 1.00 0.32 C ATOM 1602 O SER A 60 -12.096 1.623 10.560 1.00 0.36 O ATOM 1603 CB SER A 60 -15.270 1.094 10.353 1.00 0.41 C ATOM 1604 OG SER A 60 -15.048 1.243 11.748 1.00 0.64 O ATOM 0 H SER A 60 -15.396 1.198 7.912 1.00 0.28 H new ATOM 0 HA SER A 60 -14.189 2.903 9.874 1.00 0.35 H new ATOM 0 HB2 SER A 60 -16.274 1.438 10.106 1.00 0.41 H new ATOM 0 HB3 SER A 60 -15.221 0.038 10.088 1.00 0.41 H new ATOM 0 HG SER A 60 -15.722 0.732 12.243 1.00 0.64 H new ATOM 1610 N ASN A 61 -12.626 0.192 8.902 1.00 0.30 N ATOM 1611 CA ASN A 61 -11.341 -0.499 8.921 1.00 0.31 C ATOM 1612 C ASN A 61 -10.246 0.450 8.479 1.00 0.31 C ATOM 1613 O ASN A 61 -9.090 0.339 8.889 1.00 0.39 O ATOM 1614 CB ASN A 61 -11.362 -1.698 7.969 1.00 0.34 C ATOM 1615 CG ASN A 61 -12.256 -2.847 8.405 1.00 0.43 C ATOM 1616 OD1 ASN A 61 -12.862 -3.515 7.569 1.00 0.95 O ATOM 1617 ND2 ASN A 61 -12.324 -3.117 9.698 1.00 0.57 N ATOM 0 H ASN A 61 -13.293 -0.183 8.228 1.00 0.30 H new ATOM 0 HA ASN A 61 -11.153 -0.846 9.937 1.00 0.31 H new ATOM 0 HB2 ASN A 61 -11.687 -1.357 6.986 1.00 0.34 H new ATOM 0 HB3 ASN A 61 -10.344 -2.072 7.856 1.00 0.34 H new ATOM 0 HD21 ASN A 61 -12.891 -3.898 10.027 1.00 0.57 H new ATOM 0 HD22 ASN A 61 -11.809 -2.544 10.366 1.00 0.57 H new ATOM 1624 N LEU A 62 -10.645 1.386 7.641 1.00 0.30 N ATOM 1625 CA LEU A 62 -9.722 2.347 7.038 1.00 0.33 C ATOM 1626 C LEU A 62 -9.482 3.525 7.952 1.00 0.33 C ATOM 1627 O LEU A 62 -8.364 3.752 8.414 1.00 0.38 O ATOM 1628 CB LEU A 62 -10.275 2.856 5.710 1.00 0.37 C ATOM 1629 CG LEU A 62 -9.831 2.081 4.482 1.00 0.24 C ATOM 1630 CD1 LEU A 62 -9.942 0.590 4.727 1.00 0.52 C ATOM 1631 CD2 LEU A 62 -10.666 2.491 3.282 1.00 0.28 C ATOM 0 H LEU A 62 -11.616 1.508 7.354 1.00 0.30 H new ATOM 0 HA LEU A 62 -8.777 1.830 6.871 1.00 0.33 H new ATOM 0 HB2 LEU A 62 -11.364 2.837 5.757 1.00 0.37 H new ATOM 0 HB3 LEU A 62 -9.980 3.898 5.588 1.00 0.37 H new ATOM 0 HG LEU A 62 -8.786 2.313 4.276 1.00 0.24 H new ATOM 0 HD11 LEU A 62 -9.620 0.050 3.837 1.00 0.52 H new ATOM 0 HD12 LEU A 62 -9.309 0.312 5.569 1.00 0.52 H new ATOM 0 HD13 LEU A 62 -10.978 0.334 4.952 1.00 0.52 H new ATOM 0 HD21 LEU A 62 -10.342 1.931 2.405 1.00 0.28 H new ATOM 0 HD22 LEU A 62 -11.717 2.279 3.480 1.00 0.28 H new ATOM 0 HD23 LEU A 62 -10.540 3.558 3.098 1.00 0.28 H new ATOM 1643 N ASP A 63 -10.541 4.278 8.184 1.00 0.37 N ATOM 1644 CA ASP A 63 -10.476 5.455 9.026 1.00 0.43 C ATOM 1645 C ASP A 63 -10.131 5.035 10.443 1.00 0.38 C ATOM 1646 O ASP A 63 -11.007 4.629 11.201 1.00 0.43 O ATOM 1647 CB ASP A 63 -11.820 6.180 9.007 1.00 0.56 C ATOM 1648 CG ASP A 63 -11.741 7.571 9.590 1.00 0.85 C ATOM 1649 OD1 ASP A 63 -10.828 7.834 10.392 1.00 1.35 O ATOM 1650 OD2 ASP A 63 -12.607 8.402 9.255 1.00 1.56 O ATOM 0 H ASP A 63 -11.466 4.091 7.796 1.00 0.37 H new ATOM 0 HA ASP A 63 -9.708 6.132 8.652 1.00 0.43 H new ATOM 0 HB2 ASP A 63 -12.181 6.241 7.980 1.00 0.56 H new ATOM 0 HB3 ASP A 63 -12.551 5.597 9.567 1.00 0.56 H new ATOM 1655 N SER A 64 -8.858 5.121 10.797 1.00 0.37 N ATOM 1656 CA SER A 64 -8.388 4.553 12.045 1.00 0.41 C ATOM 1657 C SER A 64 -8.608 5.517 13.206 1.00 0.52 C ATOM 1658 O SER A 64 -8.403 5.167 14.369 1.00 0.64 O ATOM 1659 CB SER A 64 -6.918 4.145 11.925 1.00 0.45 C ATOM 1660 OG SER A 64 -6.049 5.262 11.940 1.00 0.58 O ATOM 0 H SER A 64 -8.137 5.577 10.238 1.00 0.37 H new ATOM 0 HA SER A 64 -8.971 3.656 12.256 1.00 0.41 H new ATOM 0 HB2 SER A 64 -6.661 3.476 12.746 1.00 0.45 H new ATOM 0 HB3 SER A 64 -6.772 3.586 11.001 1.00 0.45 H new ATOM 0 HG SER A 64 -6.395 5.954 11.339 1.00 0.58 H new ATOM 1666 N ASN A 65 -9.025 6.731 12.890 1.00 0.60 N ATOM 1667 CA ASN A 65 -9.422 7.680 13.918 1.00 0.83 C ATOM 1668 C ASN A 65 -10.944 7.743 13.979 1.00 0.89 C ATOM 1669 O ASN A 65 -11.521 8.298 14.915 1.00 1.10 O ATOM 1670 CB ASN A 65 -8.815 9.064 13.659 1.00 0.95 C ATOM 1671 CG ASN A 65 -9.346 9.728 12.405 1.00 0.99 C ATOM 1672 OD1 ASN A 65 -10.328 10.471 12.449 1.00 1.52 O ATOM 1673 ND2 ASN A 65 -8.695 9.475 11.278 1.00 1.44 N ATOM 0 H ASN A 65 -9.098 7.082 11.935 1.00 0.60 H new ATOM 0 HA ASN A 65 -9.042 7.344 14.883 1.00 0.83 H new ATOM 0 HB2 ASN A 65 -9.017 9.707 14.515 1.00 0.95 H new ATOM 0 HB3 ASN A 65 -7.732 8.969 13.580 1.00 0.95 H new ATOM 0 HD21 ASN A 65 -9.003 9.902 10.404 1.00 1.44 H new ATOM 0 HD22 ASN A 65 -7.886 8.854 11.285 1.00 1.44 H new ATOM 1680 N ARG A 66 -11.575 7.156 12.962 1.00 0.79 N ATOM 1681 CA ARG A 66 -13.027 7.018 12.884 1.00 0.98 C ATOM 1682 C ARG A 66 -13.728 8.373 12.834 1.00 1.05 C ATOM 1683 O ARG A 66 -14.212 8.878 13.849 1.00 1.34 O ATOM 1684 CB ARG A 66 -13.584 6.155 14.031 1.00 1.26 C ATOM 1685 CG ARG A 66 -13.405 4.655 13.817 1.00 1.46 C ATOM 1686 CD ARG A 66 -11.978 4.193 14.081 1.00 1.25 C ATOM 1687 NE ARG A 66 -11.657 2.964 13.347 1.00 1.91 N ATOM 1688 CZ ARG A 66 -10.526 2.270 13.494 1.00 2.60 C ATOM 1689 NH1 ARG A 66 -9.661 2.581 14.450 1.00 2.85 N ATOM 1690 NH2 ARG A 66 -10.269 1.253 12.683 1.00 3.45 N ATOM 0 H ARG A 66 -11.085 6.759 12.160 1.00 0.79 H new ATOM 0 HA ARG A 66 -13.239 6.502 11.947 1.00 0.98 H new ATOM 0 HB2 ARG A 66 -13.092 6.441 14.960 1.00 1.26 H new ATOM 0 HB3 ARG A 66 -14.645 6.371 14.153 1.00 1.26 H new ATOM 0 HG2 ARG A 66 -14.086 4.114 14.474 1.00 1.46 H new ATOM 0 HG3 ARG A 66 -13.682 4.402 12.794 1.00 1.46 H new ATOM 0 HD2 ARG A 66 -11.282 4.981 13.792 1.00 1.25 H new ATOM 0 HD3 ARG A 66 -11.843 4.024 15.149 1.00 1.25 H new ATOM 0 HE ARG A 66 -12.345 2.616 12.679 1.00 1.91 H new ATOM 0 HH11 ARG A 66 -9.857 3.357 15.082 1.00 2.85 H new ATOM 0 HH12 ARG A 66 -8.800 2.044 14.553 1.00 2.85 H new ATOM 0 HH21 ARG A 66 -10.934 1.004 11.951 1.00 3.45 H new ATOM 0 HH22 ARG A 66 -9.406 0.720 12.791 1.00 3.45 H new ATOM 1704 N ASP A 67 -13.747 8.975 11.653 1.00 0.86 N ATOM 1705 CA ASP A 67 -14.465 10.228 11.436 1.00 1.00 C ATOM 1706 C ASP A 67 -15.390 10.115 10.221 1.00 0.88 C ATOM 1707 O ASP A 67 -16.312 10.916 10.059 1.00 0.94 O ATOM 1708 CB ASP A 67 -13.477 11.378 11.239 1.00 1.13 C ATOM 1709 CG ASP A 67 -14.159 12.729 11.200 1.00 1.57 C ATOM 1710 OD1 ASP A 67 -14.498 13.260 12.280 1.00 2.08 O ATOM 1711 OD2 ASP A 67 -14.362 13.269 10.098 1.00 2.02 O ATOM 0 H ASP A 67 -13.272 8.616 10.825 1.00 0.86 H new ATOM 0 HA ASP A 67 -15.073 10.433 12.317 1.00 1.00 H new ATOM 0 HB2 ASP A 67 -12.746 11.367 12.047 1.00 1.13 H new ATOM 0 HB3 ASP A 67 -12.927 11.225 10.310 1.00 1.13 H new ATOM 1716 N ASN A 68 -15.125 9.101 9.390 1.00 0.77 N ATOM 1717 CA ASN A 68 -15.888 8.806 8.163 1.00 0.74 C ATOM 1718 C ASN A 68 -15.351 9.600 6.982 1.00 0.65 C ATOM 1719 O ASN A 68 -16.010 9.723 5.947 1.00 0.66 O ATOM 1720 CB ASN A 68 -17.399 9.035 8.328 1.00 0.92 C ATOM 1721 CG ASN A 68 -18.055 7.984 9.187 1.00 1.13 C ATOM 1722 OD1 ASN A 68 -18.368 6.886 8.725 1.00 1.54 O ATOM 1723 ND2 ASN A 68 -18.309 8.338 10.424 1.00 1.75 N ATOM 0 H ASN A 68 -14.359 8.447 9.551 1.00 0.77 H new ATOM 0 HA ASN A 68 -15.751 7.743 7.964 1.00 0.74 H new ATOM 0 HB2 ASN A 68 -17.568 10.017 8.770 1.00 0.92 H new ATOM 0 HB3 ASN A 68 -17.871 9.042 7.345 1.00 0.92 H new ATOM 0 HD21 ASN A 68 -18.787 7.691 11.052 1.00 1.75 H new ATOM 0 HD22 ASN A 68 -18.029 9.260 10.758 1.00 1.75 H new ATOM 1730 N GLU A 69 -14.138 10.113 7.139 1.00 0.64 N ATOM 1731 CA GLU A 69 -13.426 10.775 6.054 1.00 0.63 C ATOM 1732 C GLU A 69 -11.984 10.289 6.047 1.00 0.54 C ATOM 1733 O GLU A 69 -11.170 10.739 6.854 1.00 0.65 O ATOM 1734 CB GLU A 69 -13.463 12.304 6.195 1.00 0.82 C ATOM 1735 CG GLU A 69 -14.866 12.891 6.216 1.00 0.95 C ATOM 1736 CD GLU A 69 -14.885 14.390 5.982 1.00 1.13 C ATOM 1737 OE1 GLU A 69 -14.354 15.143 6.824 1.00 1.59 O ATOM 1738 OE2 GLU A 69 -15.434 14.824 4.946 1.00 1.65 O ATOM 0 H GLU A 69 -13.622 10.082 8.018 1.00 0.64 H new ATOM 0 HA GLU A 69 -13.917 10.524 5.114 1.00 0.63 H new ATOM 0 HB2 GLU A 69 -12.949 12.586 7.114 1.00 0.82 H new ATOM 0 HB3 GLU A 69 -12.907 12.748 5.369 1.00 0.82 H new ATOM 0 HG2 GLU A 69 -15.470 12.402 5.452 1.00 0.95 H new ATOM 0 HG3 GLU A 69 -15.331 12.673 7.178 1.00 0.95 H new ATOM 1745 N VAL A 70 -11.678 9.351 5.160 1.00 0.40 N ATOM 1746 CA VAL A 70 -10.357 8.743 5.134 1.00 0.31 C ATOM 1747 C VAL A 70 -9.306 9.720 4.636 1.00 0.33 C ATOM 1748 O VAL A 70 -9.283 10.086 3.458 1.00 0.39 O ATOM 1749 CB VAL A 70 -10.315 7.469 4.258 1.00 0.28 C ATOM 1750 CG1 VAL A 70 -8.901 6.920 4.160 1.00 0.32 C ATOM 1751 CG2 VAL A 70 -11.244 6.407 4.810 1.00 0.29 C ATOM 0 H VAL A 70 -12.323 8.997 4.454 1.00 0.40 H new ATOM 0 HA VAL A 70 -10.135 8.464 6.164 1.00 0.31 H new ATOM 0 HB VAL A 70 -10.650 7.744 3.258 1.00 0.28 H new ATOM 0 HG11 VAL A 70 -8.901 6.025 3.538 1.00 0.32 H new ATOM 0 HG12 VAL A 70 -8.249 7.671 3.714 1.00 0.32 H new ATOM 0 HG13 VAL A 70 -8.538 6.670 5.157 1.00 0.32 H new ATOM 0 HG21 VAL A 70 -11.199 5.520 4.178 1.00 0.29 H new ATOM 0 HG22 VAL A 70 -10.938 6.147 5.823 1.00 0.29 H new ATOM 0 HG23 VAL A 70 -12.265 6.789 4.826 1.00 0.29 H new ATOM 1761 N ASP A 71 -8.464 10.159 5.557 1.00 0.36 N ATOM 1762 CA ASP A 71 -7.276 10.924 5.218 1.00 0.40 C ATOM 1763 C ASP A 71 -6.296 9.992 4.517 1.00 0.32 C ATOM 1764 O ASP A 71 -6.405 8.776 4.671 1.00 0.29 O ATOM 1765 CB ASP A 71 -6.658 11.495 6.498 1.00 0.49 C ATOM 1766 CG ASP A 71 -5.480 12.408 6.236 1.00 0.61 C ATOM 1767 OD1 ASP A 71 -4.343 11.903 6.128 1.00 1.22 O ATOM 1768 OD2 ASP A 71 -5.686 13.639 6.165 1.00 1.32 O ATOM 0 H ASP A 71 -8.584 9.996 6.557 1.00 0.36 H new ATOM 0 HA ASP A 71 -7.525 11.755 4.557 1.00 0.40 H new ATOM 0 HB2 ASP A 71 -7.421 12.046 7.048 1.00 0.49 H new ATOM 0 HB3 ASP A 71 -6.337 10.672 7.137 1.00 0.49 H new ATOM 1773 N PHE A 72 -5.350 10.526 3.753 1.00 0.36 N ATOM 1774 CA PHE A 72 -4.413 9.673 3.031 1.00 0.36 C ATOM 1775 C PHE A 72 -3.674 8.748 3.995 1.00 0.30 C ATOM 1776 O PHE A 72 -3.369 7.601 3.664 1.00 0.39 O ATOM 1777 CB PHE A 72 -3.397 10.480 2.223 1.00 0.51 C ATOM 1778 CG PHE A 72 -2.636 9.607 1.266 1.00 0.58 C ATOM 1779 CD1 PHE A 72 -1.603 8.807 1.715 1.00 1.38 C ATOM 1780 CD2 PHE A 72 -2.985 9.551 -0.067 1.00 1.26 C ATOM 1781 CE1 PHE A 72 -0.935 7.972 0.854 1.00 1.46 C ATOM 1782 CE2 PHE A 72 -2.319 8.714 -0.937 1.00 1.29 C ATOM 1783 CZ PHE A 72 -1.287 7.921 -0.468 1.00 0.78 C ATOM 0 H PHE A 72 -5.212 11.528 3.618 1.00 0.36 H new ATOM 0 HA PHE A 72 -5.004 9.081 2.333 1.00 0.36 H new ATOM 0 HB2 PHE A 72 -3.912 11.265 1.670 1.00 0.51 H new ATOM 0 HB3 PHE A 72 -2.700 10.972 2.901 1.00 0.51 H new ATOM 0 HD1 PHE A 72 -1.317 8.839 2.756 1.00 1.38 H new ATOM 0 HD2 PHE A 72 -3.790 10.170 -0.434 1.00 1.26 H new ATOM 0 HE1 PHE A 72 -0.129 7.353 1.221 1.00 1.46 H new ATOM 0 HE2 PHE A 72 -2.601 8.678 -1.979 1.00 1.29 H new ATOM 0 HZ PHE A 72 -0.760 7.263 -1.143 1.00 0.78 H new ATOM 1793 N GLN A 73 -3.404 9.248 5.192 1.00 0.30 N ATOM 1794 CA GLN A 73 -2.740 8.457 6.217 1.00 0.41 C ATOM 1795 C GLN A 73 -3.525 7.180 6.503 1.00 0.38 C ATOM 1796 O GLN A 73 -2.941 6.140 6.765 1.00 0.44 O ATOM 1797 CB GLN A 73 -2.572 9.262 7.509 1.00 0.61 C ATOM 1798 CG GLN A 73 -1.778 10.550 7.348 1.00 0.85 C ATOM 1799 CD GLN A 73 -0.410 10.337 6.731 1.00 0.83 C ATOM 1800 OE1 GLN A 73 -0.325 10.489 5.420 1.00 1.20 O flip ATOM 1801 NE2 GLN A 73 0.567 10.072 7.429 1.00 1.48 N flip ATOM 0 H GLN A 73 -3.635 10.200 5.477 1.00 0.30 H new ATOM 0 HA GLN A 73 -1.752 8.190 5.842 1.00 0.41 H new ATOM 0 HB2 GLN A 73 -3.559 9.505 7.902 1.00 0.61 H new ATOM 0 HB3 GLN A 73 -2.078 8.635 8.252 1.00 0.61 H new ATOM 0 HG2 GLN A 73 -2.345 11.243 6.727 1.00 0.85 H new ATOM 0 HG3 GLN A 73 -1.660 11.020 8.324 1.00 0.85 H new ATOM 0 HE21 GLN A 73 0.459 9.963 8.437 1.00 1.48 H new ATOM 0 HE22 GLN A 73 1.486 9.961 7.000 1.00 1.48 H new ATOM 1810 N GLU A 74 -4.851 7.257 6.412 1.00 0.34 N ATOM 1811 CA GLU A 74 -5.703 6.105 6.680 1.00 0.37 C ATOM 1812 C GLU A 74 -5.931 5.331 5.380 1.00 0.32 C ATOM 1813 O GLU A 74 -6.490 4.235 5.373 1.00 0.36 O ATOM 1814 CB GLU A 74 -7.058 6.552 7.252 1.00 0.44 C ATOM 1815 CG GLU A 74 -7.000 7.802 8.125 1.00 0.52 C ATOM 1816 CD GLU A 74 -6.213 7.621 9.409 1.00 0.58 C ATOM 1817 OE1 GLU A 74 -6.804 7.185 10.417 1.00 1.29 O ATOM 1818 OE2 GLU A 74 -5.010 7.952 9.425 1.00 1.16 O ATOM 0 H GLU A 74 -5.356 8.105 6.155 1.00 0.34 H new ATOM 0 HA GLU A 74 -5.209 5.467 7.413 1.00 0.37 H new ATOM 0 HB2 GLU A 74 -7.744 6.735 6.425 1.00 0.44 H new ATOM 0 HB3 GLU A 74 -7.477 5.735 7.839 1.00 0.44 H new ATOM 0 HG2 GLU A 74 -6.556 8.614 7.550 1.00 0.52 H new ATOM 0 HG3 GLU A 74 -8.017 8.107 8.374 1.00 0.52 H new ATOM 1825 N TYR A 75 -5.482 5.919 4.280 1.00 0.26 N ATOM 1826 CA TYR A 75 -5.725 5.374 2.951 1.00 0.25 C ATOM 1827 C TYR A 75 -4.643 4.362 2.566 1.00 0.24 C ATOM 1828 O TYR A 75 -4.923 3.375 1.891 1.00 0.28 O ATOM 1829 CB TYR A 75 -5.783 6.522 1.932 1.00 0.25 C ATOM 1830 CG TYR A 75 -6.196 6.107 0.537 1.00 0.26 C ATOM 1831 CD1 TYR A 75 -5.345 5.365 -0.274 1.00 1.27 C ATOM 1832 CD2 TYR A 75 -7.444 6.453 0.036 1.00 1.17 C ATOM 1833 CE1 TYR A 75 -5.724 4.972 -1.541 1.00 1.30 C ATOM 1834 CE2 TYR A 75 -7.829 6.067 -1.235 1.00 1.17 C ATOM 1835 CZ TYR A 75 -6.964 5.324 -2.017 1.00 0.38 C ATOM 1836 OH TYR A 75 -7.339 4.931 -3.277 1.00 0.47 O ATOM 0 H TYR A 75 -4.941 6.784 4.283 1.00 0.26 H new ATOM 0 HA TYR A 75 -6.680 4.848 2.954 1.00 0.25 H new ATOM 0 HB2 TYR A 75 -6.482 7.276 2.294 1.00 0.25 H new ATOM 0 HB3 TYR A 75 -4.802 6.994 1.881 1.00 0.25 H new ATOM 0 HD1 TYR A 75 -4.368 5.091 0.095 1.00 1.27 H new ATOM 0 HD2 TYR A 75 -8.122 7.031 0.646 1.00 1.17 H new ATOM 0 HE1 TYR A 75 -5.051 4.392 -2.154 1.00 1.30 H new ATOM 0 HE2 TYR A 75 -8.801 6.345 -1.615 1.00 1.17 H new ATOM 0 HH TYR A 75 -7.918 4.143 -3.215 1.00 0.47 H new ATOM 1846 N CYS A 76 -3.412 4.605 2.993 1.00 0.22 N ATOM 1847 CA CYS A 76 -2.297 3.712 2.665 1.00 0.21 C ATOM 1848 C CYS A 76 -2.583 2.289 3.127 1.00 0.15 C ATOM 1849 O CYS A 76 -2.362 1.321 2.395 1.00 0.17 O ATOM 1850 CB CYS A 76 -1.005 4.207 3.319 1.00 0.27 C ATOM 1851 SG CYS A 76 -1.046 4.256 5.123 1.00 1.65 S ATOM 0 H CYS A 76 -3.155 5.409 3.566 1.00 0.22 H new ATOM 0 HA CYS A 76 -2.179 3.714 1.581 1.00 0.21 H new ATOM 0 HB2 CYS A 76 -0.184 3.562 3.005 1.00 0.27 H new ATOM 0 HB3 CYS A 76 -0.785 5.207 2.946 1.00 0.27 H new ATOM 0 HG CYS A 76 -1.940 5.115 5.514 1.00 1.65 H new ATOM 1857 N VAL A 77 -3.091 2.179 4.340 1.00 0.16 N ATOM 1858 CA VAL A 77 -3.362 0.892 4.944 1.00 0.17 C ATOM 1859 C VAL A 77 -4.540 0.208 4.280 1.00 0.17 C ATOM 1860 O VAL A 77 -4.668 -1.009 4.353 1.00 0.19 O ATOM 1861 CB VAL A 77 -3.609 1.035 6.450 1.00 0.20 C ATOM 1862 CG1 VAL A 77 -2.336 1.486 7.129 1.00 0.23 C ATOM 1863 CG2 VAL A 77 -4.738 2.015 6.735 1.00 0.19 C ATOM 0 H VAL A 77 -3.326 2.977 4.931 1.00 0.16 H new ATOM 0 HA VAL A 77 -2.480 0.269 4.795 1.00 0.17 H new ATOM 0 HB VAL A 77 -3.908 0.064 6.846 1.00 0.20 H new ATOM 0 HG11 VAL A 77 -2.511 1.588 8.200 1.00 0.23 H new ATOM 0 HG12 VAL A 77 -1.552 0.749 6.958 1.00 0.23 H new ATOM 0 HG13 VAL A 77 -2.026 2.447 6.719 1.00 0.23 H new ATOM 0 HG21 VAL A 77 -4.888 2.094 7.812 1.00 0.19 H new ATOM 0 HG22 VAL A 77 -4.480 2.994 6.332 1.00 0.19 H new ATOM 0 HG23 VAL A 77 -5.655 1.660 6.266 1.00 0.19 H new ATOM 1873 N PHE A 78 -5.386 0.991 3.624 1.00 0.20 N ATOM 1874 CA PHE A 78 -6.471 0.451 2.835 1.00 0.22 C ATOM 1875 C PHE A 78 -5.913 -0.533 1.822 1.00 0.19 C ATOM 1876 O PHE A 78 -6.196 -1.720 1.885 1.00 0.18 O ATOM 1877 CB PHE A 78 -7.213 1.604 2.141 1.00 0.30 C ATOM 1878 CG PHE A 78 -8.189 1.209 1.071 1.00 0.22 C ATOM 1879 CD1 PHE A 78 -9.174 0.265 1.303 1.00 1.19 C ATOM 1880 CD2 PHE A 78 -8.131 1.819 -0.169 1.00 1.21 C ATOM 1881 CE1 PHE A 78 -10.081 -0.062 0.317 1.00 1.21 C ATOM 1882 CE2 PHE A 78 -9.029 1.494 -1.160 1.00 1.20 C ATOM 1883 CZ PHE A 78 -10.007 0.551 -0.918 1.00 0.22 C ATOM 0 H PHE A 78 -5.336 2.010 3.627 1.00 0.20 H new ATOM 0 HA PHE A 78 -7.178 -0.079 3.473 1.00 0.22 H new ATOM 0 HB2 PHE A 78 -7.748 2.175 2.900 1.00 0.30 H new ATOM 0 HB3 PHE A 78 -6.473 2.273 1.701 1.00 0.30 H new ATOM 0 HD1 PHE A 78 -9.233 -0.220 2.266 1.00 1.19 H new ATOM 0 HD2 PHE A 78 -7.370 2.561 -0.362 1.00 1.21 H new ATOM 0 HE1 PHE A 78 -10.848 -0.797 0.511 1.00 1.21 H new ATOM 0 HE2 PHE A 78 -8.968 1.976 -2.125 1.00 1.20 H new ATOM 0 HZ PHE A 78 -10.713 0.293 -1.693 1.00 0.22 H new ATOM 1893 N LEU A 79 -5.047 -0.039 0.955 1.00 0.20 N ATOM 1894 CA LEU A 79 -4.574 -0.817 -0.174 1.00 0.19 C ATOM 1895 C LEU A 79 -3.552 -1.870 0.200 1.00 0.16 C ATOM 1896 O LEU A 79 -3.650 -3.007 -0.238 1.00 0.18 O ATOM 1897 CB LEU A 79 -4.017 0.113 -1.235 1.00 0.22 C ATOM 1898 CG LEU A 79 -5.104 0.868 -1.970 1.00 0.15 C ATOM 1899 CD1 LEU A 79 -4.514 1.702 -3.090 1.00 0.16 C ATOM 1900 CD2 LEU A 79 -6.131 -0.130 -2.480 1.00 0.16 C ATOM 0 H LEU A 79 -4.656 0.901 1.013 1.00 0.20 H new ATOM 0 HA LEU A 79 -5.433 -1.362 -0.565 1.00 0.19 H new ATOM 0 HB2 LEU A 79 -3.336 0.825 -0.769 1.00 0.22 H new ATOM 0 HB3 LEU A 79 -3.433 -0.465 -1.951 1.00 0.22 H new ATOM 0 HG LEU A 79 -5.600 1.564 -1.293 1.00 0.15 H new ATOM 0 HD11 LEU A 79 -5.312 2.236 -3.605 1.00 0.16 H new ATOM 0 HD12 LEU A 79 -3.806 2.419 -2.675 1.00 0.16 H new ATOM 0 HD13 LEU A 79 -3.999 1.051 -3.796 1.00 0.16 H new ATOM 0 HD21 LEU A 79 -6.921 0.400 -3.012 1.00 0.16 H new ATOM 0 HD22 LEU A 79 -5.648 -0.835 -3.156 1.00 0.16 H new ATOM 0 HD23 LEU A 79 -6.561 -0.672 -1.638 1.00 0.16 H new ATOM 1912 N SER A 80 -2.585 -1.519 1.008 1.00 0.15 N ATOM 1913 CA SER A 80 -1.564 -2.477 1.380 1.00 0.15 C ATOM 1914 C SER A 80 -2.184 -3.680 2.084 1.00 0.15 C ATOM 1915 O SER A 80 -1.671 -4.795 2.020 1.00 0.18 O ATOM 1916 CB SER A 80 -0.526 -1.800 2.244 1.00 0.17 C ATOM 1917 OG SER A 80 0.102 -0.761 1.525 1.00 0.23 O ATOM 0 H SER A 80 -2.479 -0.591 1.419 1.00 0.15 H new ATOM 0 HA SER A 80 -1.073 -2.849 0.481 1.00 0.15 H new ATOM 0 HB2 SER A 80 -0.995 -1.399 3.142 1.00 0.17 H new ATOM 0 HB3 SER A 80 0.217 -2.528 2.570 1.00 0.17 H new ATOM 0 HG SER A 80 1.072 -0.904 1.524 1.00 0.23 H new ATOM 1923 N CYS A 81 -3.302 -3.449 2.744 1.00 0.14 N ATOM 1924 CA CYS A 81 -4.040 -4.522 3.373 1.00 0.15 C ATOM 1925 C CYS A 81 -4.911 -5.270 2.366 1.00 0.14 C ATOM 1926 O CYS A 81 -5.342 -6.393 2.626 1.00 0.16 O ATOM 1927 CB CYS A 81 -4.853 -3.977 4.531 1.00 0.17 C ATOM 1928 SG CYS A 81 -3.818 -3.427 5.899 1.00 0.22 S ATOM 0 H CYS A 81 -3.718 -2.525 2.858 1.00 0.14 H new ATOM 0 HA CYS A 81 -3.330 -5.250 3.766 1.00 0.15 H new ATOM 0 HB2 CYS A 81 -5.463 -3.143 4.183 1.00 0.17 H new ATOM 0 HB3 CYS A 81 -5.538 -4.747 4.884 1.00 0.17 H new ATOM 0 HG CYS A 81 -3.617 -2.146 5.804 1.00 0.22 H new ATOM 1934 N ILE A 82 -5.156 -4.667 1.207 1.00 0.13 N ATOM 1935 CA ILE A 82 -5.880 -5.362 0.157 1.00 0.14 C ATOM 1936 C ILE A 82 -4.898 -6.218 -0.640 1.00 0.17 C ATOM 1937 O ILE A 82 -5.297 -7.133 -1.351 1.00 0.21 O ATOM 1938 CB ILE A 82 -6.661 -4.420 -0.788 1.00 0.15 C ATOM 1939 CG1 ILE A 82 -7.436 -3.382 0.001 1.00 0.15 C ATOM 1940 CG2 ILE A 82 -7.645 -5.214 -1.628 1.00 0.16 C ATOM 1941 CD1 ILE A 82 -8.243 -2.453 -0.872 1.00 0.18 C ATOM 0 H ILE A 82 -4.869 -3.716 0.976 1.00 0.13 H new ATOM 0 HA ILE A 82 -6.632 -5.985 0.642 1.00 0.14 H new ATOM 0 HB ILE A 82 -5.934 -3.922 -1.430 1.00 0.15 H new ATOM 0 HG12 ILE A 82 -8.105 -3.889 0.697 1.00 0.15 H new ATOM 0 HG13 ILE A 82 -6.739 -2.795 0.599 1.00 0.15 H new ATOM 0 HG21 ILE A 82 -8.188 -4.538 -2.289 1.00 0.16 H new ATOM 0 HG22 ILE A 82 -7.104 -5.948 -2.225 1.00 0.16 H new ATOM 0 HG23 ILE A 82 -8.351 -5.727 -0.974 1.00 0.16 H new ATOM 0 HD11 ILE A 82 -8.773 -1.735 -0.246 1.00 0.18 H new ATOM 0 HD12 ILE A 82 -7.576 -1.920 -1.550 1.00 0.18 H new ATOM 0 HD13 ILE A 82 -8.963 -3.031 -1.451 1.00 0.18 H new ATOM 1953 N ALA A 83 -3.605 -5.905 -0.540 1.00 0.18 N ATOM 1954 CA ALA A 83 -2.579 -6.852 -0.943 1.00 0.23 C ATOM 1955 C ALA A 83 -2.707 -8.115 -0.120 1.00 0.20 C ATOM 1956 O ALA A 83 -2.722 -9.223 -0.647 1.00 0.21 O ATOM 1957 CB ALA A 83 -1.204 -6.275 -0.742 1.00 0.30 C ATOM 0 H ALA A 83 -3.253 -5.015 -0.188 1.00 0.18 H new ATOM 0 HA ALA A 83 -2.716 -7.074 -2.001 1.00 0.23 H new ATOM 0 HB1 ALA A 83 -0.455 -7.004 -1.051 1.00 0.30 H new ATOM 0 HB2 ALA A 83 -1.098 -5.370 -1.340 1.00 0.30 H new ATOM 0 HB3 ALA A 83 -1.061 -6.033 0.311 1.00 0.30 H new ATOM 1963 N MET A 84 -2.798 -7.933 1.190 1.00 0.22 N ATOM 1964 CA MET A 84 -3.034 -9.052 2.094 1.00 0.25 C ATOM 1965 C MET A 84 -4.345 -9.743 1.747 1.00 0.24 C ATOM 1966 O MET A 84 -4.457 -10.966 1.845 1.00 0.28 O ATOM 1967 CB MET A 84 -3.025 -8.600 3.553 1.00 0.30 C ATOM 1968 CG MET A 84 -1.627 -8.535 4.147 1.00 0.34 C ATOM 1969 SD MET A 84 -1.611 -7.859 5.813 1.00 0.36 S ATOM 1970 CE MET A 84 -2.111 -6.182 5.461 1.00 0.20 C ATOM 0 H MET A 84 -2.713 -7.026 1.650 1.00 0.22 H new ATOM 0 HA MET A 84 -2.221 -9.767 1.968 1.00 0.25 H new ATOM 0 HB2 MET A 84 -3.491 -7.617 3.626 1.00 0.30 H new ATOM 0 HB3 MET A 84 -3.633 -9.285 4.144 1.00 0.30 H new ATOM 0 HG2 MET A 84 -1.196 -9.536 4.161 1.00 0.34 H new ATOM 0 HG3 MET A 84 -0.992 -7.924 3.505 1.00 0.34 H new ATOM 0 HE1 MET A 84 -1.869 -5.544 6.311 1.00 0.20 H new ATOM 0 HE2 MET A 84 -1.584 -5.823 4.577 1.00 0.20 H new ATOM 0 HE3 MET A 84 -3.185 -6.153 5.280 1.00 0.20 H new ATOM 1980 N MET A 85 -5.332 -8.955 1.335 1.00 0.25 N ATOM 1981 CA MET A 85 -6.561 -9.501 0.773 1.00 0.36 C ATOM 1982 C MET A 85 -6.230 -10.347 -0.444 1.00 0.33 C ATOM 1983 O MET A 85 -6.685 -11.478 -0.576 1.00 0.43 O ATOM 1984 CB MET A 85 -7.503 -8.383 0.321 1.00 0.62 C ATOM 1985 CG MET A 85 -8.875 -8.893 -0.092 1.00 0.77 C ATOM 1986 SD MET A 85 -9.762 -7.729 -1.132 1.00 0.67 S ATOM 1987 CE MET A 85 -10.328 -6.573 0.102 1.00 0.30 C ATOM 0 H MET A 85 -5.305 -7.936 1.380 1.00 0.25 H new ATOM 0 HA MET A 85 -7.046 -10.097 1.546 1.00 0.36 H new ATOM 0 HB2 MET A 85 -7.618 -7.663 1.131 1.00 0.62 H new ATOM 0 HB3 MET A 85 -7.052 -7.852 -0.517 1.00 0.62 H new ATOM 0 HG2 MET A 85 -8.762 -9.837 -0.625 1.00 0.77 H new ATOM 0 HG3 MET A 85 -9.465 -9.099 0.801 1.00 0.77 H new ATOM 0 HE1 MET A 85 -11.070 -5.906 -0.337 1.00 0.30 H new ATOM 0 HE2 MET A 85 -10.777 -7.118 0.932 1.00 0.30 H new ATOM 0 HE3 MET A 85 -9.484 -5.987 0.466 1.00 0.30 H new ATOM 1997 N CYS A 86 -5.414 -9.777 -1.321 1.00 0.32 N ATOM 1998 CA CYS A 86 -5.081 -10.389 -2.594 1.00 0.43 C ATOM 1999 C CYS A 86 -4.311 -11.696 -2.413 1.00 0.43 C ATOM 2000 O CYS A 86 -4.275 -12.511 -3.316 1.00 0.58 O ATOM 2001 CB CYS A 86 -4.280 -9.406 -3.455 1.00 0.49 C ATOM 2002 SG CYS A 86 -4.234 -9.827 -5.213 1.00 0.57 S ATOM 0 H CYS A 86 -4.965 -8.874 -1.166 1.00 0.32 H new ATOM 0 HA CYS A 86 -6.014 -10.632 -3.102 1.00 0.43 H new ATOM 0 HB2 CYS A 86 -4.708 -8.410 -3.343 1.00 0.49 H new ATOM 0 HB3 CYS A 86 -3.259 -9.359 -3.077 1.00 0.49 H new ATOM 0 HG CYS A 86 -4.942 -8.967 -5.884 1.00 0.57 H new ATOM 2008 N ASN A 87 -3.700 -11.906 -1.253 1.00 0.36 N ATOM 2009 CA ASN A 87 -3.041 -13.187 -0.974 1.00 0.44 C ATOM 2010 C ASN A 87 -4.086 -14.293 -0.886 1.00 0.47 C ATOM 2011 O ASN A 87 -3.872 -15.418 -1.340 1.00 0.54 O ATOM 2012 CB ASN A 87 -2.236 -13.116 0.327 1.00 0.54 C ATOM 2013 CG ASN A 87 -1.489 -14.405 0.632 1.00 0.72 C ATOM 2014 OD1 ASN A 87 -0.380 -14.622 0.142 1.00 1.43 O ATOM 2015 ND2 ASN A 87 -2.071 -15.253 1.469 1.00 1.23 N ATOM 0 H ASN A 87 -3.644 -11.222 -0.499 1.00 0.36 H new ATOM 0 HA ASN A 87 -2.350 -13.407 -1.788 1.00 0.44 H new ATOM 0 HB2 ASN A 87 -1.522 -12.295 0.262 1.00 0.54 H new ATOM 0 HB3 ASN A 87 -2.910 -12.888 1.153 1.00 0.54 H new ATOM 0 HD21 ASN A 87 -1.599 -16.120 1.727 1.00 1.23 H new ATOM 0 HD22 ASN A 87 -2.991 -15.039 1.855 1.00 1.23 H new ATOM 2022 N GLU A 88 -5.228 -13.944 -0.320 1.00 0.56 N ATOM 2023 CA GLU A 88 -6.346 -14.863 -0.194 1.00 0.70 C ATOM 2024 C GLU A 88 -7.218 -14.816 -1.449 1.00 0.73 C ATOM 2025 O GLU A 88 -7.760 -15.830 -1.883 1.00 0.82 O ATOM 2026 CB GLU A 88 -7.167 -14.499 1.048 1.00 0.96 C ATOM 2027 CG GLU A 88 -6.492 -14.896 2.353 1.00 1.81 C ATOM 2028 CD GLU A 88 -7.257 -14.441 3.578 1.00 2.18 C ATOM 2029 OE1 GLU A 88 -8.207 -15.136 3.993 1.00 2.60 O ATOM 2030 OE2 GLU A 88 -6.903 -13.392 4.147 1.00 2.78 O ATOM 0 H GLU A 88 -5.407 -13.016 0.065 1.00 0.56 H new ATOM 0 HA GLU A 88 -5.967 -15.879 -0.084 1.00 0.70 H new ATOM 0 HB2 GLU A 88 -7.348 -13.424 1.053 1.00 0.96 H new ATOM 0 HB3 GLU A 88 -8.140 -14.986 0.987 1.00 0.96 H new ATOM 0 HG2 GLU A 88 -6.381 -15.980 2.383 1.00 1.81 H new ATOM 0 HG3 GLU A 88 -5.488 -14.472 2.380 1.00 1.81 H new ATOM 2285 N ALA B 2 -3.565 -0.923 -17.704 1.00 0.34 N ATOM 2286 CA ALA B 2 -4.251 -1.871 -16.859 1.00 0.30 C ATOM 2287 C ALA B 2 -5.137 -1.101 -15.897 1.00 0.27 C ATOM 2288 O ALA B 2 -5.048 0.123 -15.839 1.00 0.36 O ATOM 2289 CB ALA B 2 -3.247 -2.729 -16.106 1.00 0.30 C ATOM 0 HA ALA B 2 -4.865 -2.538 -17.464 1.00 0.30 H new ATOM 0 HB1 ALA B 2 -3.778 -3.439 -15.473 1.00 0.30 H new ATOM 0 HB2 ALA B 2 -2.626 -3.272 -16.818 1.00 0.30 H new ATOM 0 HB3 ALA B 2 -2.616 -2.092 -15.486 1.00 0.30 H new ATOM 2295 N CYS B 3 -5.990 -1.797 -15.157 1.00 0.25 N ATOM 2296 CA CYS B 3 -6.802 -1.154 -14.142 1.00 0.23 C ATOM 2297 C CYS B 3 -5.887 -0.669 -13.032 1.00 0.17 C ATOM 2298 O CYS B 3 -5.363 -1.469 -12.254 1.00 0.17 O ATOM 2299 CB CYS B 3 -7.854 -2.116 -13.597 1.00 0.28 C ATOM 2300 SG CYS B 3 -8.990 -2.753 -14.852 1.00 0.39 S ATOM 0 H CYS B 3 -6.135 -2.803 -15.243 1.00 0.25 H new ATOM 0 HA CYS B 3 -7.333 -0.308 -14.578 1.00 0.23 H new ATOM 0 HB2 CYS B 3 -7.350 -2.956 -13.118 1.00 0.28 H new ATOM 0 HB3 CYS B 3 -8.431 -1.608 -12.824 1.00 0.28 H new ATOM 0 HG CYS B 3 -9.843 -3.561 -14.295 1.00 0.39 H new ATOM 2306 N PRO B 4 -5.671 0.649 -12.969 1.00 0.16 N ATOM 2307 CA PRO B 4 -4.650 1.261 -12.114 1.00 0.13 C ATOM 2308 C PRO B 4 -4.691 0.771 -10.673 1.00 0.12 C ATOM 2309 O PRO B 4 -3.731 0.174 -10.184 1.00 0.12 O ATOM 2310 CB PRO B 4 -5.009 2.741 -12.187 1.00 0.17 C ATOM 2311 CG PRO B 4 -5.589 2.896 -13.544 1.00 0.20 C ATOM 2312 CD PRO B 4 -6.419 1.666 -13.737 1.00 0.20 C ATOM 0 HA PRO B 4 -3.641 1.018 -12.446 1.00 0.13 H new ATOM 0 HB2 PRO B 4 -5.724 3.018 -11.412 1.00 0.17 H new ATOM 0 HB3 PRO B 4 -4.131 3.373 -12.052 1.00 0.17 H new ATOM 0 HG2 PRO B 4 -6.195 3.799 -13.616 1.00 0.20 H new ATOM 0 HG3 PRO B 4 -4.810 2.973 -14.303 1.00 0.20 H new ATOM 0 HD2 PRO B 4 -7.432 1.797 -13.357 1.00 0.20 H new ATOM 0 HD3 PRO B 4 -6.506 1.396 -14.790 1.00 0.20 H new ATOM 2320 N LEU B 5 -5.811 0.997 -10.006 1.00 0.13 N ATOM 2321 CA LEU B 5 -5.929 0.648 -8.602 1.00 0.14 C ATOM 2322 C LEU B 5 -5.976 -0.871 -8.432 1.00 0.16 C ATOM 2323 O LEU B 5 -5.490 -1.397 -7.440 1.00 0.22 O ATOM 2324 CB LEU B 5 -7.171 1.310 -7.996 1.00 0.15 C ATOM 2325 CG LEU B 5 -7.011 1.862 -6.572 1.00 0.16 C ATOM 2326 CD1 LEU B 5 -6.791 0.753 -5.572 1.00 0.18 C ATOM 2327 CD2 LEU B 5 -5.864 2.852 -6.496 1.00 0.17 C ATOM 0 H LEU B 5 -6.646 1.418 -10.412 1.00 0.13 H new ATOM 0 HA LEU B 5 -5.052 1.018 -8.071 1.00 0.14 H new ATOM 0 HB2 LEU B 5 -7.478 2.127 -8.649 1.00 0.15 H new ATOM 0 HB3 LEU B 5 -7.982 0.582 -7.993 1.00 0.15 H new ATOM 0 HG LEU B 5 -7.939 2.376 -6.322 1.00 0.16 H new ATOM 0 HD11 LEU B 5 -6.682 1.179 -4.575 1.00 0.18 H new ATOM 0 HD12 LEU B 5 -7.645 0.076 -5.586 1.00 0.18 H new ATOM 0 HD13 LEU B 5 -5.887 0.202 -5.832 1.00 0.18 H new ATOM 0 HD21 LEU B 5 -5.774 3.227 -5.476 1.00 0.17 H new ATOM 0 HD22 LEU B 5 -4.937 2.357 -6.784 1.00 0.17 H new ATOM 0 HD23 LEU B 5 -6.056 3.684 -7.173 1.00 0.17 H new ATOM 2339 N GLU B 6 -6.532 -1.573 -9.419 1.00 0.16 N ATOM 2340 CA GLU B 6 -6.582 -3.032 -9.376 1.00 0.20 C ATOM 2341 C GLU B 6 -5.175 -3.604 -9.313 1.00 0.18 C ATOM 2342 O GLU B 6 -4.880 -4.472 -8.486 1.00 0.23 O ATOM 2343 CB GLU B 6 -7.297 -3.607 -10.599 1.00 0.29 C ATOM 2344 CG GLU B 6 -7.334 -5.129 -10.606 1.00 0.43 C ATOM 2345 CD GLU B 6 -7.881 -5.707 -11.893 1.00 0.90 C ATOM 2346 OE1 GLU B 6 -9.107 -5.908 -11.984 1.00 1.79 O ATOM 2347 OE2 GLU B 6 -7.082 -5.978 -12.814 1.00 1.39 O ATOM 0 H GLU B 6 -6.951 -1.158 -10.251 1.00 0.16 H new ATOM 0 HA GLU B 6 -7.140 -3.312 -8.482 1.00 0.20 H new ATOM 0 HB2 GLU B 6 -8.317 -3.224 -10.630 1.00 0.29 H new ATOM 0 HB3 GLU B 6 -6.798 -3.257 -11.503 1.00 0.29 H new ATOM 0 HG2 GLU B 6 -6.326 -5.511 -10.443 1.00 0.43 H new ATOM 0 HG3 GLU B 6 -7.944 -5.475 -9.772 1.00 0.43 H new ATOM 2354 N LYS B 7 -4.310 -3.105 -10.192 1.00 0.16 N ATOM 2355 CA LYS B 7 -2.936 -3.558 -10.251 1.00 0.18 C ATOM 2356 C LYS B 7 -2.247 -3.368 -8.912 1.00 0.17 C ATOM 2357 O LYS B 7 -1.516 -4.240 -8.476 1.00 0.19 O ATOM 2358 CB LYS B 7 -2.160 -2.839 -11.364 1.00 0.25 C ATOM 2359 CG LYS B 7 -2.531 -3.279 -12.774 1.00 0.41 C ATOM 2360 CD LYS B 7 -2.198 -4.745 -13.036 1.00 0.90 C ATOM 2361 CE LYS B 7 -3.288 -5.677 -12.527 1.00 0.84 C ATOM 2362 NZ LYS B 7 -2.967 -7.107 -12.774 1.00 1.18 N ATOM 0 H LYS B 7 -4.544 -2.383 -10.874 1.00 0.16 H new ATOM 0 HA LYS B 7 -2.948 -4.623 -10.484 1.00 0.18 H new ATOM 0 HB2 LYS B 7 -2.330 -1.766 -11.274 1.00 0.25 H new ATOM 0 HB3 LYS B 7 -1.094 -3.006 -11.213 1.00 0.25 H new ATOM 0 HG2 LYS B 7 -3.597 -3.118 -12.932 1.00 0.41 H new ATOM 0 HG3 LYS B 7 -2.004 -2.655 -13.496 1.00 0.41 H new ATOM 0 HD2 LYS B 7 -2.059 -4.900 -14.106 1.00 0.90 H new ATOM 0 HD3 LYS B 7 -1.253 -4.994 -12.553 1.00 0.90 H new ATOM 0 HE2 LYS B 7 -3.429 -5.518 -11.458 1.00 0.84 H new ATOM 0 HE3 LYS B 7 -4.231 -5.429 -13.013 1.00 0.84 H new ATOM 0 HZ1 LYS B 7 -3.786 -7.696 -12.520 1.00 1.18 H new ATOM 0 HZ2 LYS B 7 -2.741 -7.243 -13.780 1.00 1.18 H new ATOM 0 HZ3 LYS B 7 -2.149 -7.384 -12.195 1.00 1.18 H new ATOM 2376 N ALA B 8 -2.523 -2.253 -8.248 1.00 0.17 N ATOM 2377 CA ALA B 8 -1.889 -1.939 -6.968 1.00 0.17 C ATOM 2378 C ALA B 8 -1.919 -3.122 -6.001 1.00 0.17 C ATOM 2379 O ALA B 8 -0.896 -3.474 -5.421 1.00 0.22 O ATOM 2380 CB ALA B 8 -2.552 -0.731 -6.328 1.00 0.18 C ATOM 0 H ALA B 8 -3.183 -1.547 -8.573 1.00 0.17 H new ATOM 0 HA ALA B 8 -0.844 -1.711 -7.178 1.00 0.17 H new ATOM 0 HB1 ALA B 8 -2.068 -0.512 -5.376 1.00 0.18 H new ATOM 0 HB2 ALA B 8 -2.457 0.130 -6.990 1.00 0.18 H new ATOM 0 HB3 ALA B 8 -3.607 -0.943 -6.157 1.00 0.18 H new ATOM 2386 N LEU B 9 -3.082 -3.742 -5.840 1.00 0.13 N ATOM 2387 CA LEU B 9 -3.217 -4.865 -4.915 1.00 0.12 C ATOM 2388 C LEU B 9 -2.697 -6.146 -5.547 1.00 0.14 C ATOM 2389 O LEU B 9 -1.989 -6.927 -4.909 1.00 0.18 O ATOM 2390 CB LEU B 9 -4.676 -5.067 -4.478 1.00 0.13 C ATOM 2391 CG LEU B 9 -5.363 -3.847 -3.862 1.00 0.13 C ATOM 2392 CD1 LEU B 9 -4.401 -3.087 -2.980 1.00 0.15 C ATOM 2393 CD2 LEU B 9 -5.941 -2.933 -4.924 1.00 0.13 C ATOM 0 H LEU B 9 -3.939 -3.491 -6.332 1.00 0.13 H new ATOM 0 HA LEU B 9 -2.622 -4.628 -4.033 1.00 0.12 H new ATOM 0 HB2 LEU B 9 -5.254 -5.386 -5.345 1.00 0.13 H new ATOM 0 HB3 LEU B 9 -4.709 -5.882 -3.755 1.00 0.13 H new ATOM 0 HG LEU B 9 -6.191 -4.209 -3.252 1.00 0.13 H new ATOM 0 HD11 LEU B 9 -4.907 -2.222 -2.550 1.00 0.15 H new ATOM 0 HD12 LEU B 9 -4.050 -3.738 -2.179 1.00 0.15 H new ATOM 0 HD13 LEU B 9 -3.550 -2.752 -3.574 1.00 0.15 H new ATOM 0 HD21 LEU B 9 -6.420 -2.078 -4.447 1.00 0.13 H new ATOM 0 HD22 LEU B 9 -5.142 -2.583 -5.577 1.00 0.13 H new ATOM 0 HD23 LEU B 9 -6.677 -3.480 -5.513 1.00 0.13 H new ATOM 2405 N ASP B 10 -3.049 -6.345 -6.811 1.00 0.14 N ATOM 2406 CA ASP B 10 -2.648 -7.532 -7.559 1.00 0.16 C ATOM 2407 C ASP B 10 -1.133 -7.679 -7.600 1.00 0.15 C ATOM 2408 O ASP B 10 -0.590 -8.744 -7.302 1.00 0.19 O ATOM 2409 CB ASP B 10 -3.200 -7.449 -8.986 1.00 0.20 C ATOM 2410 CG ASP B 10 -2.591 -8.476 -9.923 1.00 0.51 C ATOM 2411 OD1 ASP B 10 -3.060 -9.630 -9.929 1.00 1.22 O ATOM 2412 OD2 ASP B 10 -1.657 -8.119 -10.678 1.00 1.19 O ATOM 0 H ASP B 10 -3.619 -5.690 -7.346 1.00 0.14 H new ATOM 0 HA ASP B 10 -3.056 -8.407 -7.053 1.00 0.16 H new ATOM 0 HB2 ASP B 10 -4.281 -7.587 -8.959 1.00 0.20 H new ATOM 0 HB3 ASP B 10 -3.016 -6.451 -9.382 1.00 0.20 H new ATOM 2417 N VAL B 11 -0.453 -6.596 -7.937 1.00 0.15 N ATOM 2418 CA VAL B 11 0.981 -6.636 -8.143 1.00 0.16 C ATOM 2419 C VAL B 11 1.740 -6.777 -6.834 1.00 0.16 C ATOM 2420 O VAL B 11 2.886 -7.208 -6.840 1.00 0.20 O ATOM 2421 CB VAL B 11 1.491 -5.393 -8.894 1.00 0.18 C ATOM 2422 CG1 VAL B 11 0.699 -5.190 -10.177 1.00 0.21 C ATOM 2423 CG2 VAL B 11 1.432 -4.154 -8.009 1.00 0.17 C ATOM 0 H VAL B 11 -0.874 -5.677 -8.074 1.00 0.15 H new ATOM 0 HA VAL B 11 1.169 -7.518 -8.755 1.00 0.16 H new ATOM 0 HB VAL B 11 2.536 -5.556 -9.158 1.00 0.18 H new ATOM 0 HG11 VAL B 11 1.070 -4.307 -10.698 1.00 0.21 H new ATOM 0 HG12 VAL B 11 0.814 -6.064 -10.818 1.00 0.21 H new ATOM 0 HG13 VAL B 11 -0.355 -5.052 -9.936 1.00 0.21 H new ATOM 0 HG21 VAL B 11 1.798 -3.291 -8.566 1.00 0.17 H new ATOM 0 HG22 VAL B 11 0.402 -3.976 -7.700 1.00 0.17 H new ATOM 0 HG23 VAL B 11 2.054 -4.307 -7.127 1.00 0.17 H new ATOM 2433 N MET B 12 1.118 -6.418 -5.712 1.00 0.16 N ATOM 2434 CA MET B 12 1.781 -6.585 -4.426 1.00 0.20 C ATOM 2435 C MET B 12 2.119 -8.050 -4.198 1.00 0.23 C ATOM 2436 O MET B 12 3.277 -8.395 -3.996 1.00 0.39 O ATOM 2437 CB MET B 12 0.935 -6.072 -3.263 1.00 0.27 C ATOM 2438 CG MET B 12 0.761 -4.564 -3.230 1.00 0.16 C ATOM 2439 SD MET B 12 0.549 -3.941 -1.553 1.00 0.78 S ATOM 2440 CE MET B 12 0.065 -2.261 -1.869 1.00 0.19 C ATOM 0 H MET B 12 0.180 -6.020 -5.668 1.00 0.16 H new ATOM 0 HA MET B 12 2.694 -5.990 -4.459 1.00 0.20 H new ATOM 0 HB2 MET B 12 -0.049 -6.538 -3.313 1.00 0.27 H new ATOM 0 HB3 MET B 12 1.393 -6.393 -2.327 1.00 0.27 H new ATOM 0 HG2 MET B 12 1.630 -4.089 -3.685 1.00 0.16 H new ATOM 0 HG3 MET B 12 -0.105 -4.286 -3.831 1.00 0.16 H new ATOM 0 HE1 MET B 12 0.548 -1.601 -1.148 1.00 0.19 H new ATOM 0 HE2 MET B 12 0.367 -1.979 -2.878 1.00 0.19 H new ATOM 0 HE3 MET B 12 -1.017 -2.170 -1.776 1.00 0.19 H new ATOM 2450 N VAL B 13 1.111 -8.913 -4.272 1.00 0.18 N ATOM 2451 CA VAL B 13 1.319 -10.342 -4.061 1.00 0.19 C ATOM 2452 C VAL B 13 1.996 -10.986 -5.271 1.00 0.19 C ATOM 2453 O VAL B 13 2.738 -11.962 -5.133 1.00 0.25 O ATOM 2454 CB VAL B 13 -0.001 -11.083 -3.746 1.00 0.20 C ATOM 2455 CG1 VAL B 13 -0.594 -10.576 -2.444 1.00 0.21 C ATOM 2456 CG2 VAL B 13 -1.003 -10.938 -4.880 1.00 0.22 C ATOM 0 H VAL B 13 0.147 -8.650 -4.475 1.00 0.18 H new ATOM 0 HA VAL B 13 1.974 -10.435 -3.195 1.00 0.19 H new ATOM 0 HB VAL B 13 0.228 -12.143 -3.639 1.00 0.20 H new ATOM 0 HG11 VAL B 13 -1.523 -11.107 -2.236 1.00 0.21 H new ATOM 0 HG12 VAL B 13 0.112 -10.748 -1.631 1.00 0.21 H new ATOM 0 HG13 VAL B 13 -0.798 -9.509 -2.528 1.00 0.21 H new ATOM 0 HG21 VAL B 13 -1.919 -11.471 -4.626 1.00 0.22 H new ATOM 0 HG22 VAL B 13 -1.228 -9.883 -5.034 1.00 0.22 H new ATOM 0 HG23 VAL B 13 -0.581 -11.357 -5.794 1.00 0.22 H new ATOM 2466 N SER B 14 1.751 -10.427 -6.450 1.00 0.18 N ATOM 2467 CA SER B 14 2.348 -10.931 -7.678 1.00 0.21 C ATOM 2468 C SER B 14 3.859 -10.693 -7.674 1.00 0.23 C ATOM 2469 O SER B 14 4.645 -11.633 -7.803 1.00 0.26 O ATOM 2470 CB SER B 14 1.697 -10.253 -8.887 1.00 0.23 C ATOM 2471 OG SER B 14 2.177 -10.787 -10.109 1.00 1.12 O ATOM 0 H SER B 14 1.140 -9.621 -6.580 1.00 0.18 H new ATOM 0 HA SER B 14 2.175 -12.005 -7.743 1.00 0.21 H new ATOM 0 HB2 SER B 14 0.615 -10.378 -8.835 1.00 0.23 H new ATOM 0 HB3 SER B 14 1.896 -9.182 -8.855 1.00 0.23 H new ATOM 0 HG SER B 14 1.739 -10.333 -10.859 1.00 1.12 H new ATOM 2477 N THR B 15 4.256 -9.438 -7.494 1.00 0.24 N ATOM 2478 CA THR B 15 5.665 -9.069 -7.468 1.00 0.26 C ATOM 2479 C THR B 15 6.333 -9.645 -6.218 1.00 0.28 C ATOM 2480 O THR B 15 7.536 -9.913 -6.206 1.00 0.31 O ATOM 2481 CB THR B 15 5.825 -7.535 -7.506 1.00 0.27 C ATOM 2482 OG1 THR B 15 4.948 -6.988 -8.500 1.00 0.33 O ATOM 2483 CG2 THR B 15 7.252 -7.127 -7.836 1.00 0.25 C ATOM 0 H THR B 15 3.616 -8.655 -7.363 1.00 0.24 H new ATOM 0 HA THR B 15 6.151 -9.484 -8.351 1.00 0.26 H new ATOM 0 HB THR B 15 5.576 -7.150 -6.517 1.00 0.27 H new ATOM 0 HG1 THR B 15 4.057 -6.856 -8.113 1.00 0.33 H new ATOM 0 HG21 THR B 15 7.325 -6.040 -7.854 1.00 0.25 H new ATOM 0 HG22 THR B 15 7.928 -7.524 -7.079 1.00 0.25 H new ATOM 0 HG23 THR B 15 7.528 -7.525 -8.813 1.00 0.25 H new ATOM 2491 N PHE B 16 5.527 -9.843 -5.175 1.00 0.30 N ATOM 2492 CA PHE B 16 5.962 -10.526 -3.962 1.00 0.36 C ATOM 2493 C PHE B 16 6.569 -11.880 -4.317 1.00 0.40 C ATOM 2494 O PHE B 16 7.762 -12.102 -4.116 1.00 0.51 O ATOM 2495 CB PHE B 16 4.759 -10.710 -3.028 1.00 0.44 C ATOM 2496 CG PHE B 16 5.068 -11.299 -1.683 1.00 0.34 C ATOM 2497 CD1 PHE B 16 5.573 -10.505 -0.668 1.00 1.21 C ATOM 2498 CD2 PHE B 16 4.832 -12.638 -1.425 1.00 1.27 C ATOM 2499 CE1 PHE B 16 5.843 -11.037 0.578 1.00 1.38 C ATOM 2500 CE2 PHE B 16 5.095 -13.174 -0.180 1.00 1.42 C ATOM 2501 CZ PHE B 16 5.600 -12.371 0.821 1.00 0.97 C ATOM 0 H PHE B 16 4.555 -9.534 -5.149 1.00 0.30 H new ATOM 0 HA PHE B 16 6.721 -9.928 -3.457 1.00 0.36 H new ATOM 0 HB2 PHE B 16 4.285 -9.740 -2.880 1.00 0.44 H new ATOM 0 HB3 PHE B 16 4.029 -11.349 -3.526 1.00 0.44 H new ATOM 0 HD1 PHE B 16 5.758 -9.457 -0.852 1.00 1.21 H new ATOM 0 HD2 PHE B 16 4.438 -13.271 -2.206 1.00 1.27 H new ATOM 0 HE1 PHE B 16 6.244 -10.409 1.360 1.00 1.38 H new ATOM 0 HE2 PHE B 16 4.906 -14.220 0.010 1.00 1.42 H new ATOM 0 HZ PHE B 16 5.805 -12.788 1.796 1.00 0.97 H new ATOM 2511 N HIS B 17 5.747 -12.763 -4.883 1.00 0.41 N ATOM 2512 CA HIS B 17 6.196 -14.100 -5.288 1.00 0.51 C ATOM 2513 C HIS B 17 7.287 -14.011 -6.346 1.00 0.45 C ATOM 2514 O HIS B 17 8.172 -14.864 -6.418 1.00 0.51 O ATOM 2515 CB HIS B 17 5.030 -14.920 -5.851 1.00 0.68 C ATOM 2516 CG HIS B 17 4.098 -15.469 -4.818 1.00 1.09 C ATOM 2517 ND1 HIS B 17 3.956 -16.816 -4.579 1.00 2.16 N ATOM 2518 CD2 HIS B 17 3.241 -14.850 -3.974 1.00 1.26 C ATOM 2519 CE1 HIS B 17 3.057 -17.003 -3.639 1.00 2.82 C ATOM 2520 NE2 HIS B 17 2.606 -15.828 -3.248 1.00 2.30 N ATOM 0 H HIS B 17 4.762 -12.578 -5.073 1.00 0.41 H new ATOM 0 HA HIS B 17 6.592 -14.591 -4.399 1.00 0.51 H new ATOM 0 HB2 HIS B 17 4.461 -14.294 -6.538 1.00 0.68 H new ATOM 0 HB3 HIS B 17 5.434 -15.748 -6.434 1.00 0.68 H new ATOM 0 HD2 HIS B 17 3.085 -13.785 -3.887 1.00 1.26 H new ATOM 0 HE1 HIS B 17 2.740 -17.960 -3.251 1.00 2.82 H new ATOM 0 HE2 HIS B 17 1.902 -15.671 -2.526 1.00 2.30 H new ATOM 2529 N LYS B 18 7.207 -12.966 -7.157 1.00 0.42 N ATOM 2530 CA LYS B 18 8.100 -12.774 -8.291 1.00 0.46 C ATOM 2531 C LYS B 18 9.570 -12.730 -7.866 1.00 0.45 C ATOM 2532 O LYS B 18 10.435 -13.232 -8.583 1.00 0.62 O ATOM 2533 CB LYS B 18 7.717 -11.482 -9.021 1.00 0.55 C ATOM 2534 CG LYS B 18 8.489 -11.221 -10.305 1.00 0.76 C ATOM 2535 CD LYS B 18 8.055 -9.907 -10.940 1.00 0.71 C ATOM 2536 CE LYS B 18 8.840 -9.603 -12.207 1.00 1.40 C ATOM 2537 NZ LYS B 18 8.500 -8.265 -12.765 1.00 1.67 N ATOM 0 H LYS B 18 6.517 -12.223 -7.046 1.00 0.42 H new ATOM 0 HA LYS B 18 7.988 -13.627 -8.960 1.00 0.46 H new ATOM 0 HB2 LYS B 18 6.653 -11.515 -9.254 1.00 0.55 H new ATOM 0 HB3 LYS B 18 7.869 -10.641 -8.345 1.00 0.55 H new ATOM 0 HG2 LYS B 18 9.558 -11.192 -10.092 1.00 0.76 H new ATOM 0 HG3 LYS B 18 8.326 -12.040 -11.006 1.00 0.76 H new ATOM 0 HD2 LYS B 18 6.991 -9.951 -11.174 1.00 0.71 H new ATOM 0 HD3 LYS B 18 8.191 -9.096 -10.225 1.00 0.71 H new ATOM 0 HE2 LYS B 18 9.908 -9.645 -11.991 1.00 1.40 H new ATOM 0 HE3 LYS B 18 8.635 -10.370 -12.954 1.00 1.40 H new ATOM 0 HZ1 LYS B 18 9.160 -8.032 -13.534 1.00 1.67 H new ATOM 0 HZ2 LYS B 18 7.528 -8.280 -13.135 1.00 1.67 H new ATOM 0 HZ3 LYS B 18 8.574 -7.547 -12.016 1.00 1.67 H new ATOM 2551 N TYR B 19 9.859 -12.158 -6.700 1.00 0.39 N ATOM 2552 CA TYR B 19 11.250 -11.977 -6.286 1.00 0.43 C ATOM 2553 C TYR B 19 11.599 -12.728 -5.003 1.00 0.50 C ATOM 2554 O TYR B 19 12.728 -13.173 -4.850 1.00 0.74 O ATOM 2555 CB TYR B 19 11.572 -10.489 -6.127 1.00 0.46 C ATOM 2556 CG TYR B 19 11.435 -9.714 -7.417 1.00 0.41 C ATOM 2557 CD1 TYR B 19 12.402 -9.798 -8.408 1.00 1.17 C ATOM 2558 CD2 TYR B 19 10.327 -8.915 -7.651 1.00 1.17 C ATOM 2559 CE1 TYR B 19 12.265 -9.107 -9.599 1.00 1.21 C ATOM 2560 CE2 TYR B 19 10.189 -8.219 -8.833 1.00 1.17 C ATOM 2561 CZ TYR B 19 11.156 -8.319 -9.803 1.00 0.50 C ATOM 2562 OH TYR B 19 10.997 -7.644 -10.992 1.00 0.61 O ATOM 0 H TYR B 19 9.164 -11.817 -6.035 1.00 0.39 H new ATOM 0 HA TYR B 19 11.864 -12.405 -7.079 1.00 0.43 H new ATOM 0 HB2 TYR B 19 10.908 -10.057 -5.378 1.00 0.46 H new ATOM 0 HB3 TYR B 19 12.589 -10.381 -5.751 1.00 0.46 H new ATOM 0 HD1 TYR B 19 13.276 -10.412 -8.247 1.00 1.17 H new ATOM 0 HD2 TYR B 19 9.559 -8.836 -6.895 1.00 1.17 H new ATOM 0 HE1 TYR B 19 13.024 -9.186 -10.363 1.00 1.21 H new ATOM 0 HE2 TYR B 19 9.322 -7.596 -8.996 1.00 1.17 H new ATOM 0 HH TYR B 19 10.250 -7.015 -10.914 1.00 0.61 H new ATOM 2572 N SER B 20 10.643 -12.877 -4.093 1.00 0.41 N ATOM 2573 CA SER B 20 10.921 -13.502 -2.798 1.00 0.48 C ATOM 2574 C SER B 20 11.366 -14.956 -2.958 1.00 0.57 C ATOM 2575 O SER B 20 12.309 -15.405 -2.310 1.00 0.70 O ATOM 2576 CB SER B 20 9.689 -13.426 -1.902 1.00 0.49 C ATOM 2577 OG SER B 20 8.558 -13.976 -2.553 1.00 0.53 O ATOM 0 H SER B 20 9.676 -12.578 -4.222 1.00 0.41 H new ATOM 0 HA SER B 20 11.739 -12.952 -2.333 1.00 0.48 H new ATOM 0 HB2 SER B 20 9.876 -13.964 -0.973 1.00 0.49 H new ATOM 0 HB3 SER B 20 9.491 -12.388 -1.635 1.00 0.49 H new ATOM 0 HG SER B 20 8.167 -13.306 -3.152 1.00 0.53 H new ATOM 2583 N GLY B 21 10.685 -15.689 -3.833 1.00 0.57 N ATOM 2584 CA GLY B 21 11.013 -17.080 -4.050 1.00 0.68 C ATOM 2585 C GLY B 21 12.210 -17.286 -4.962 1.00 0.71 C ATOM 2586 O GLY B 21 12.288 -18.296 -5.664 1.00 0.86 O ATOM 0 H GLY B 21 9.909 -15.340 -4.396 1.00 0.57 H new ATOM 0 HA2 GLY B 21 11.214 -17.552 -3.088 1.00 0.68 H new ATOM 0 HA3 GLY B 21 10.148 -17.586 -4.479 1.00 0.68 H new ATOM 2688 N LYS B 28 9.323 -14.181 2.220 1.00 0.69 N ATOM 2689 CA LYS B 28 10.246 -13.224 2.815 1.00 0.68 C ATOM 2690 C LYS B 28 11.127 -12.580 1.765 1.00 0.50 C ATOM 2691 O LYS B 28 11.906 -13.254 1.097 1.00 0.54 O ATOM 2692 CB LYS B 28 11.145 -13.900 3.850 1.00 0.92 C ATOM 2693 CG LYS B 28 10.404 -14.696 4.908 1.00 0.93 C ATOM 2694 CD LYS B 28 9.451 -13.823 5.704 1.00 0.98 C ATOM 2695 CE LYS B 28 8.880 -14.577 6.890 1.00 1.51 C ATOM 2696 NZ LYS B 28 9.936 -14.917 7.881 1.00 1.98 N ATOM 0 HA LYS B 28 9.637 -12.459 3.297 1.00 0.68 H new ATOM 0 HB2 LYS B 28 11.836 -14.565 3.332 1.00 0.92 H new ATOM 0 HB3 LYS B 28 11.746 -13.136 4.344 1.00 0.92 H new ATOM 0 HG2 LYS B 28 9.847 -15.503 4.432 1.00 0.93 H new ATOM 0 HG3 LYS B 28 11.122 -15.160 5.584 1.00 0.93 H new ATOM 0 HD2 LYS B 28 9.974 -12.933 6.053 1.00 0.98 H new ATOM 0 HD3 LYS B 28 8.640 -13.484 5.060 1.00 0.98 H new ATOM 0 HE2 LYS B 28 8.110 -13.973 7.370 1.00 1.51 H new ATOM 0 HE3 LYS B 28 8.398 -15.491 6.543 1.00 1.51 H new ATOM 0 HZ1 LYS B 28 9.974 -15.949 8.007 1.00 1.98 H new ATOM 0 HZ2 LYS B 28 10.857 -14.576 7.538 1.00 1.98 H new ATOM 0 HZ3 LYS B 28 9.716 -14.465 8.791 1.00 1.98 H new ATOM 2710 N LEU B 29 11.034 -11.273 1.634 1.00 0.38 N ATOM 2711 CA LEU B 29 11.957 -10.557 0.777 1.00 0.32 C ATOM 2712 C LEU B 29 13.082 -9.974 1.608 1.00 0.33 C ATOM 2713 O LEU B 29 12.885 -9.005 2.342 1.00 0.42 O ATOM 2714 CB LEU B 29 11.270 -9.451 -0.024 1.00 0.29 C ATOM 2715 CG LEU B 29 10.377 -9.935 -1.162 1.00 0.29 C ATOM 2716 CD1 LEU B 29 8.982 -10.230 -0.654 1.00 0.34 C ATOM 2717 CD2 LEU B 29 10.340 -8.912 -2.281 1.00 0.31 C ATOM 0 H LEU B 29 10.339 -10.691 2.102 1.00 0.38 H new ATOM 0 HA LEU B 29 12.358 -11.273 0.059 1.00 0.32 H new ATOM 0 HB2 LEU B 29 10.669 -8.850 0.658 1.00 0.29 H new ATOM 0 HB3 LEU B 29 12.035 -8.794 -0.438 1.00 0.29 H new ATOM 0 HG LEU B 29 10.795 -10.859 -1.561 1.00 0.29 H new ATOM 0 HD11 LEU B 29 8.359 -10.574 -1.480 1.00 0.34 H new ATOM 0 HD12 LEU B 29 9.030 -11.004 0.112 1.00 0.34 H new ATOM 0 HD13 LEU B 29 8.551 -9.324 -0.227 1.00 0.34 H new ATOM 0 HD21 LEU B 29 9.698 -9.274 -3.084 1.00 0.31 H new ATOM 0 HD22 LEU B 29 9.947 -7.970 -1.900 1.00 0.31 H new ATOM 0 HD23 LEU B 29 11.348 -8.756 -2.665 1.00 0.31 H new ATOM 2729 N ASN B 30 14.249 -10.586 1.518 1.00 0.31 N ATOM 2730 CA ASN B 30 15.422 -10.070 2.199 1.00 0.31 C ATOM 2731 C ASN B 30 15.995 -8.903 1.409 1.00 0.27 C ATOM 2732 O ASN B 30 15.380 -8.442 0.441 1.00 0.26 O ATOM 2733 CB ASN B 30 16.487 -11.159 2.390 1.00 0.35 C ATOM 2734 CG ASN B 30 17.153 -11.580 1.098 1.00 0.58 C ATOM 2735 OD1 ASN B 30 18.132 -10.977 0.661 1.00 1.17 O ATOM 2736 ND2 ASN B 30 16.647 -12.631 0.495 1.00 0.60 N ATOM 0 H ASN B 30 14.409 -11.439 0.982 1.00 0.31 H new ATOM 0 HA ASN B 30 15.122 -9.729 3.190 1.00 0.31 H new ATOM 0 HB2 ASN B 30 17.248 -10.796 3.081 1.00 0.35 H new ATOM 0 HB3 ASN B 30 16.026 -12.031 2.853 1.00 0.35 H new ATOM 0 HD21 ASN B 30 17.067 -12.975 -0.368 1.00 0.60 H new ATOM 0 HD22 ASN B 30 15.834 -13.103 0.890 1.00 0.60 H new ATOM 2743 N LYS B 31 17.164 -8.432 1.825 1.00 0.27 N ATOM 2744 CA LYS B 31 17.798 -7.274 1.209 1.00 0.26 C ATOM 2745 C LYS B 31 17.871 -7.423 -0.312 1.00 0.25 C ATOM 2746 O LYS B 31 17.520 -6.511 -1.057 1.00 0.28 O ATOM 2747 CB LYS B 31 19.210 -7.090 1.769 1.00 0.29 C ATOM 2748 CG LYS B 31 19.259 -6.935 3.277 1.00 0.40 C ATOM 2749 CD LYS B 31 20.689 -6.944 3.790 1.00 0.49 C ATOM 2750 CE LYS B 31 20.740 -6.871 5.306 1.00 1.20 C ATOM 2751 NZ LYS B 31 22.123 -7.047 5.820 1.00 1.72 N ATOM 0 H LYS B 31 17.696 -8.839 2.594 1.00 0.27 H new ATOM 0 HA LYS B 31 17.191 -6.399 1.442 1.00 0.26 H new ATOM 0 HB2 LYS B 31 19.818 -7.948 1.482 1.00 0.29 H new ATOM 0 HB3 LYS B 31 19.661 -6.211 1.309 1.00 0.29 H new ATOM 0 HG2 LYS B 31 18.774 -6.002 3.564 1.00 0.40 H new ATOM 0 HG3 LYS B 31 18.698 -7.743 3.746 1.00 0.40 H new ATOM 0 HD2 LYS B 31 21.192 -7.850 3.452 1.00 0.49 H new ATOM 0 HD3 LYS B 31 21.233 -6.100 3.366 1.00 0.49 H new ATOM 0 HE2 LYS B 31 20.349 -5.909 5.637 1.00 1.20 H new ATOM 0 HE3 LYS B 31 20.094 -7.640 5.729 1.00 1.20 H new ATOM 0 HZ1 LYS B 31 22.117 -6.991 6.858 1.00 1.72 H new ATOM 0 HZ2 LYS B 31 22.487 -7.975 5.525 1.00 1.72 H new ATOM 0 HZ3 LYS B 31 22.734 -6.298 5.436 1.00 1.72 H new ATOM 2765 N SER B 32 18.305 -8.588 -0.761 1.00 0.25 N ATOM 2766 CA SER B 32 18.533 -8.828 -2.177 1.00 0.27 C ATOM 2767 C SER B 32 17.215 -8.877 -2.954 1.00 0.24 C ATOM 2768 O SER B 32 17.125 -8.345 -4.066 1.00 0.27 O ATOM 2769 CB SER B 32 19.310 -10.135 -2.357 1.00 0.35 C ATOM 2770 OG SER B 32 19.758 -10.297 -3.695 1.00 1.27 O ATOM 0 H SER B 32 18.508 -9.388 -0.162 1.00 0.25 H new ATOM 0 HA SER B 32 19.119 -8.001 -2.577 1.00 0.27 H new ATOM 0 HB2 SER B 32 20.166 -10.146 -1.682 1.00 0.35 H new ATOM 0 HB3 SER B 32 18.676 -10.977 -2.081 1.00 0.35 H new ATOM 0 HG SER B 32 20.251 -11.140 -3.775 1.00 1.27 H new ATOM 2776 N GLU B 33 16.191 -9.481 -2.358 1.00 0.25 N ATOM 2777 CA GLU B 33 14.922 -9.690 -3.048 1.00 0.27 C ATOM 2778 C GLU B 33 14.214 -8.363 -3.260 1.00 0.24 C ATOM 2779 O GLU B 33 13.751 -8.057 -4.361 1.00 0.26 O ATOM 2780 CB GLU B 33 14.013 -10.630 -2.251 1.00 0.34 C ATOM 2781 CG GLU B 33 14.711 -11.878 -1.734 1.00 0.47 C ATOM 2782 CD GLU B 33 15.342 -12.717 -2.827 1.00 0.83 C ATOM 2783 OE1 GLU B 33 16.348 -12.275 -3.420 1.00 1.43 O ATOM 2784 OE2 GLU B 33 14.862 -13.840 -3.064 1.00 1.65 O ATOM 0 H GLU B 33 16.215 -9.834 -1.401 1.00 0.25 H new ATOM 0 HA GLU B 33 15.137 -10.146 -4.014 1.00 0.27 H new ATOM 0 HB2 GLU B 33 13.595 -10.084 -1.405 1.00 0.34 H new ATOM 0 HB3 GLU B 33 13.176 -10.930 -2.882 1.00 0.34 H new ATOM 0 HG2 GLU B 33 15.482 -11.584 -1.022 1.00 0.47 H new ATOM 0 HG3 GLU B 33 13.990 -12.488 -1.190 1.00 0.47 H new ATOM 2791 N LEU B 34 14.148 -7.573 -2.196 1.00 0.21 N ATOM 2792 CA LEU B 34 13.527 -6.264 -2.263 1.00 0.21 C ATOM 2793 C LEU B 34 14.277 -5.357 -3.221 1.00 0.20 C ATOM 2794 O LEU B 34 13.664 -4.622 -3.988 1.00 0.24 O ATOM 2795 CB LEU B 34 13.463 -5.628 -0.878 1.00 0.21 C ATOM 2796 CG LEU B 34 12.243 -6.009 -0.046 1.00 0.21 C ATOM 2797 CD1 LEU B 34 12.391 -5.498 1.375 1.00 0.24 C ATOM 2798 CD2 LEU B 34 10.988 -5.445 -0.688 1.00 0.21 C ATOM 0 H LEU B 34 14.518 -7.819 -1.278 1.00 0.21 H new ATOM 0 HA LEU B 34 12.511 -6.393 -2.636 1.00 0.21 H new ATOM 0 HB2 LEU B 34 14.361 -5.906 -0.326 1.00 0.21 H new ATOM 0 HB3 LEU B 34 13.481 -4.544 -0.992 1.00 0.21 H new ATOM 0 HG LEU B 34 12.163 -7.095 -0.010 1.00 0.21 H new ATOM 0 HD11 LEU B 34 11.512 -5.778 1.956 1.00 0.24 H new ATOM 0 HD12 LEU B 34 13.280 -5.936 1.828 1.00 0.24 H new ATOM 0 HD13 LEU B 34 12.487 -4.412 1.363 1.00 0.24 H new ATOM 0 HD21 LEU B 34 10.119 -5.720 -0.090 1.00 0.21 H new ATOM 0 HD22 LEU B 34 11.063 -4.359 -0.741 1.00 0.21 H new ATOM 0 HD23 LEU B 34 10.880 -5.851 -1.694 1.00 0.21 H new ATOM 2810 N LYS B 35 15.601 -5.425 -3.188 1.00 0.21 N ATOM 2811 CA LYS B 35 16.409 -4.591 -4.060 1.00 0.26 C ATOM 2812 C LYS B 35 16.067 -4.845 -5.513 1.00 0.22 C ATOM 2813 O LYS B 35 15.785 -3.910 -6.254 1.00 0.24 O ATOM 2814 CB LYS B 35 17.901 -4.812 -3.837 1.00 0.37 C ATOM 2815 CG LYS B 35 18.757 -3.882 -4.679 1.00 0.54 C ATOM 2816 CD LYS B 35 20.195 -3.841 -4.190 1.00 0.68 C ATOM 2817 CE LYS B 35 20.916 -5.143 -4.466 1.00 0.61 C ATOM 2818 NZ LYS B 35 22.280 -5.165 -3.876 1.00 0.95 N ATOM 0 H LYS B 35 16.131 -6.042 -2.573 1.00 0.21 H new ATOM 0 HA LYS B 35 16.180 -3.555 -3.811 1.00 0.26 H new ATOM 0 HB2 LYS B 35 18.134 -4.661 -2.783 1.00 0.37 H new ATOM 0 HB3 LYS B 35 18.152 -5.846 -4.074 1.00 0.37 H new ATOM 0 HG2 LYS B 35 18.736 -4.210 -5.718 1.00 0.54 H new ATOM 0 HG3 LYS B 35 18.336 -2.877 -4.653 1.00 0.54 H new ATOM 0 HD2 LYS B 35 20.723 -3.022 -4.679 1.00 0.68 H new ATOM 0 HD3 LYS B 35 20.210 -3.636 -3.120 1.00 0.68 H new ATOM 0 HE2 LYS B 35 20.334 -5.971 -4.062 1.00 0.61 H new ATOM 0 HE3 LYS B 35 20.985 -5.297 -5.543 1.00 0.61 H new ATOM 0 HZ1 LYS B 35 22.736 -6.075 -4.090 1.00 0.95 H new ATOM 0 HZ2 LYS B 35 22.845 -4.391 -4.280 1.00 0.95 H new ATOM 0 HZ3 LYS B 35 22.214 -5.045 -2.845 1.00 0.95 H new ATOM 2832 N GLU B 36 16.062 -6.107 -5.917 1.00 0.22 N ATOM 2833 CA GLU B 36 15.773 -6.443 -7.300 1.00 0.24 C ATOM 2834 C GLU B 36 14.362 -5.992 -7.658 1.00 0.25 C ATOM 2835 O GLU B 36 14.124 -5.477 -8.747 1.00 0.32 O ATOM 2836 CB GLU B 36 15.920 -7.938 -7.548 1.00 0.28 C ATOM 2837 CG GLU B 36 16.195 -8.258 -9.004 1.00 0.65 C ATOM 2838 CD GLU B 36 16.226 -9.746 -9.301 1.00 0.77 C ATOM 2839 OE1 GLU B 36 17.289 -10.374 -9.098 1.00 1.30 O ATOM 2840 OE2 GLU B 36 15.199 -10.290 -9.756 1.00 1.48 O ATOM 0 H GLU B 36 16.253 -6.906 -5.313 1.00 0.22 H new ATOM 0 HA GLU B 36 16.493 -5.924 -7.933 1.00 0.24 H new ATOM 0 HB2 GLU B 36 16.732 -8.327 -6.934 1.00 0.28 H new ATOM 0 HB3 GLU B 36 15.009 -8.447 -7.233 1.00 0.28 H new ATOM 0 HG2 GLU B 36 15.430 -7.788 -9.622 1.00 0.65 H new ATOM 0 HG3 GLU B 36 17.150 -7.818 -9.290 1.00 0.65 H new ATOM 2847 N LEU B 37 13.446 -6.169 -6.719 1.00 0.23 N ATOM 2848 CA LEU B 37 12.072 -5.708 -6.871 1.00 0.26 C ATOM 2849 C LEU B 37 12.048 -4.213 -7.182 1.00 0.22 C ATOM 2850 O LEU B 37 11.469 -3.780 -8.183 1.00 0.22 O ATOM 2851 CB LEU B 37 11.309 -5.988 -5.576 1.00 0.32 C ATOM 2852 CG LEU B 37 9.794 -5.816 -5.631 1.00 0.41 C ATOM 2853 CD1 LEU B 37 9.117 -6.961 -4.901 1.00 0.34 C ATOM 2854 CD2 LEU B 37 9.387 -4.492 -5.006 1.00 0.74 C ATOM 0 H LEU B 37 13.632 -6.635 -5.831 1.00 0.23 H new ATOM 0 HA LEU B 37 11.599 -6.238 -7.698 1.00 0.26 H new ATOM 0 HB2 LEU B 37 11.526 -7.010 -5.266 1.00 0.32 H new ATOM 0 HB3 LEU B 37 11.700 -5.330 -4.800 1.00 0.32 H new ATOM 0 HG LEU B 37 9.480 -5.820 -6.675 1.00 0.41 H new ATOM 0 HD11 LEU B 37 8.036 -6.831 -4.944 1.00 0.34 H new ATOM 0 HD12 LEU B 37 9.389 -7.905 -5.373 1.00 0.34 H new ATOM 0 HD13 LEU B 37 9.440 -6.970 -3.860 1.00 0.34 H new ATOM 0 HD21 LEU B 37 8.303 -4.385 -5.053 1.00 0.74 H new ATOM 0 HD22 LEU B 37 9.709 -4.467 -3.965 1.00 0.74 H new ATOM 0 HD23 LEU B 37 9.857 -3.673 -5.551 1.00 0.74 H new ATOM 2866 N LEU B 38 12.707 -3.436 -6.330 1.00 0.19 N ATOM 2867 CA LEU B 38 12.741 -1.988 -6.470 1.00 0.19 C ATOM 2868 C LEU B 38 13.565 -1.547 -7.684 1.00 0.19 C ATOM 2869 O LEU B 38 13.242 -0.555 -8.320 1.00 0.21 O ATOM 2870 CB LEU B 38 13.269 -1.338 -5.184 1.00 0.19 C ATOM 2871 CG LEU B 38 12.251 -1.216 -4.044 1.00 0.19 C ATOM 2872 CD1 LEU B 38 12.720 -1.984 -2.818 1.00 0.20 C ATOM 2873 CD2 LEU B 38 12.018 0.249 -3.694 1.00 0.20 C ATOM 0 H LEU B 38 13.229 -3.790 -5.529 1.00 0.19 H new ATOM 0 HA LEU B 38 11.719 -1.650 -6.639 1.00 0.19 H new ATOM 0 HB2 LEU B 38 14.121 -1.917 -4.827 1.00 0.19 H new ATOM 0 HB3 LEU B 38 13.639 -0.342 -5.426 1.00 0.19 H new ATOM 0 HG LEU B 38 11.309 -1.649 -4.380 1.00 0.19 H new ATOM 0 HD11 LEU B 38 11.983 -1.884 -2.022 1.00 0.20 H new ATOM 0 HD12 LEU B 38 12.839 -3.037 -3.072 1.00 0.20 H new ATOM 0 HD13 LEU B 38 13.675 -1.582 -2.480 1.00 0.20 H new ATOM 0 HD21 LEU B 38 11.293 0.318 -2.883 1.00 0.20 H new ATOM 0 HD22 LEU B 38 12.958 0.702 -3.380 1.00 0.20 H new ATOM 0 HD23 LEU B 38 11.636 0.776 -4.568 1.00 0.20 H new ATOM 2885 N THR B 39 14.616 -2.286 -8.025 1.00 0.20 N ATOM 2886 CA THR B 39 15.424 -1.946 -9.200 1.00 0.22 C ATOM 2887 C THR B 39 14.635 -2.169 -10.476 1.00 0.23 C ATOM 2888 O THR B 39 14.919 -1.586 -11.519 1.00 0.27 O ATOM 2889 CB THR B 39 16.714 -2.784 -9.291 1.00 0.25 C ATOM 2890 OG1 THR B 39 16.412 -4.186 -9.295 1.00 0.30 O ATOM 2891 CG2 THR B 39 17.634 -2.482 -8.141 1.00 0.27 C ATOM 0 H THR B 39 14.928 -3.113 -7.516 1.00 0.20 H new ATOM 0 HA THR B 39 15.691 -0.895 -9.087 1.00 0.22 H new ATOM 0 HB THR B 39 17.210 -2.519 -10.225 1.00 0.25 H new ATOM 0 HG1 THR B 39 15.451 -4.314 -9.155 1.00 0.30 H new ATOM 0 HG21 THR B 39 18.537 -3.086 -8.229 1.00 0.27 H new ATOM 0 HG22 THR B 39 17.902 -1.425 -8.157 1.00 0.27 H new ATOM 0 HG23 THR B 39 17.131 -2.715 -7.202 1.00 0.27 H new ATOM 2899 N ARG B 40 13.642 -3.024 -10.370 1.00 0.24 N ATOM 2900 CA ARG B 40 12.886 -3.453 -11.515 1.00 0.27 C ATOM 2901 C ARG B 40 11.694 -2.552 -11.782 1.00 0.27 C ATOM 2902 O ARG B 40 11.679 -1.798 -12.756 1.00 0.30 O ATOM 2903 CB ARG B 40 12.434 -4.891 -11.304 1.00 0.31 C ATOM 2904 CG ARG B 40 13.437 -5.909 -11.802 1.00 0.34 C ATOM 2905 CD ARG B 40 13.757 -5.646 -13.252 1.00 0.44 C ATOM 2906 NE ARG B 40 12.527 -5.447 -14.029 1.00 0.64 N ATOM 2907 CZ ARG B 40 12.470 -5.361 -15.353 1.00 0.87 C ATOM 2908 NH1 ARG B 40 13.554 -5.555 -16.090 1.00 1.22 N ATOM 2909 NH2 ARG B 40 11.307 -5.100 -15.939 1.00 1.06 N ATOM 0 H ARG B 40 13.340 -3.438 -9.488 1.00 0.24 H new ATOM 0 HA ARG B 40 13.529 -3.392 -12.393 1.00 0.27 H new ATOM 0 HB2 ARG B 40 12.254 -5.057 -10.242 1.00 0.31 H new ATOM 0 HB3 ARG B 40 11.484 -5.046 -11.816 1.00 0.31 H new ATOM 0 HG2 ARG B 40 14.347 -5.858 -11.205 1.00 0.34 H new ATOM 0 HG3 ARG B 40 13.035 -6.916 -11.686 1.00 0.34 H new ATOM 0 HD2 ARG B 40 14.392 -4.764 -13.335 1.00 0.44 H new ATOM 0 HD3 ARG B 40 14.321 -6.484 -13.663 1.00 0.44 H new ATOM 0 HE ARG B 40 11.651 -5.369 -13.513 1.00 0.64 H new ATOM 0 HH11 ARG B 40 14.444 -5.773 -15.641 1.00 1.22 H new ATOM 0 HH12 ARG B 40 13.499 -5.487 -17.106 1.00 1.22 H new ATOM 0 HH21 ARG B 40 10.469 -4.968 -15.373 1.00 1.06 H new ATOM 0 HH22 ARG B 40 11.252 -5.032 -16.955 1.00 1.06 H new ATOM 2923 N GLU B 41 10.702 -2.621 -10.914 1.00 0.27 N ATOM 2924 CA GLU B 41 9.465 -1.901 -11.145 1.00 0.30 C ATOM 2925 C GLU B 41 9.388 -0.607 -10.340 1.00 0.34 C ATOM 2926 O GLU B 41 8.487 0.192 -10.551 1.00 0.46 O ATOM 2927 CB GLU B 41 8.249 -2.792 -10.871 1.00 0.36 C ATOM 2928 CG GLU B 41 7.916 -3.739 -12.022 1.00 0.45 C ATOM 2929 CD GLU B 41 8.890 -4.904 -12.149 1.00 0.83 C ATOM 2930 OE1 GLU B 41 8.760 -5.887 -11.381 1.00 1.54 O ATOM 2931 OE2 GLU B 41 9.780 -4.850 -13.024 1.00 1.59 O ATOM 0 H GLU B 41 10.728 -3.163 -10.050 1.00 0.27 H new ATOM 0 HA GLU B 41 9.454 -1.621 -12.198 1.00 0.30 H new ATOM 0 HB2 GLU B 41 8.433 -3.378 -9.971 1.00 0.36 H new ATOM 0 HB3 GLU B 41 7.384 -2.160 -10.669 1.00 0.36 H new ATOM 0 HG2 GLU B 41 6.909 -4.131 -11.880 1.00 0.45 H new ATOM 0 HG3 GLU B 41 7.911 -3.176 -12.956 1.00 0.45 H new ATOM 2938 N LEU B 42 10.328 -0.387 -9.424 1.00 0.27 N ATOM 2939 CA LEU B 42 10.318 0.853 -8.639 1.00 0.28 C ATOM 2940 C LEU B 42 11.602 1.684 -8.810 1.00 0.27 C ATOM 2941 O LEU B 42 12.083 2.250 -7.829 1.00 0.26 O ATOM 2942 CB LEU B 42 10.142 0.548 -7.144 1.00 0.27 C ATOM 2943 CG LEU B 42 8.909 -0.269 -6.752 1.00 0.27 C ATOM 2944 CD1 LEU B 42 9.130 -1.744 -7.018 1.00 0.26 C ATOM 2945 CD2 LEU B 42 8.569 -0.041 -5.288 1.00 0.32 C ATOM 0 H LEU B 42 11.089 -1.030 -9.207 1.00 0.27 H new ATOM 0 HA LEU B 42 9.478 1.435 -9.018 1.00 0.28 H new ATOM 0 HB2 LEU B 42 11.028 0.015 -6.798 1.00 0.27 H new ATOM 0 HB3 LEU B 42 10.109 1.495 -6.605 1.00 0.27 H new ATOM 0 HG LEU B 42 8.071 0.065 -7.364 1.00 0.27 H new ATOM 0 HD11 LEU B 42 8.239 -2.303 -6.731 1.00 0.26 H new ATOM 0 HD12 LEU B 42 9.328 -1.897 -8.079 1.00 0.26 H new ATOM 0 HD13 LEU B 42 9.982 -2.095 -6.436 1.00 0.26 H new ATOM 0 HD21 LEU B 42 7.690 -0.628 -5.023 1.00 0.32 H new ATOM 0 HD22 LEU B 42 9.411 -0.347 -4.667 1.00 0.32 H new ATOM 0 HD23 LEU B 42 8.362 1.016 -5.123 1.00 0.32 H new ATOM 2957 N PRO B 43 12.168 1.828 -10.032 1.00 0.31 N ATOM 2958 CA PRO B 43 13.447 2.524 -10.205 1.00 0.33 C ATOM 2959 C PRO B 43 13.319 4.009 -9.893 1.00 0.33 C ATOM 2960 O PRO B 43 14.269 4.654 -9.441 1.00 0.36 O ATOM 2961 CB PRO B 43 13.796 2.314 -11.684 1.00 0.41 C ATOM 2962 CG PRO B 43 12.850 1.270 -12.176 1.00 0.51 C ATOM 2963 CD PRO B 43 11.623 1.390 -11.324 1.00 0.35 C ATOM 0 HA PRO B 43 14.213 2.142 -9.531 1.00 0.33 H new ATOM 0 HB2 PRO B 43 13.685 3.240 -12.248 1.00 0.41 H new ATOM 0 HB3 PRO B 43 14.831 1.991 -11.801 1.00 0.41 H new ATOM 0 HG2 PRO B 43 12.611 1.425 -13.228 1.00 0.51 H new ATOM 0 HG3 PRO B 43 13.288 0.275 -12.091 1.00 0.51 H new ATOM 0 HD2 PRO B 43 10.916 2.113 -11.731 1.00 0.35 H new ATOM 0 HD3 PRO B 43 11.094 0.441 -11.239 1.00 0.35 H new ATOM 2971 N SER B 44 12.127 4.535 -10.131 1.00 0.36 N ATOM 2972 CA SER B 44 11.824 5.924 -9.848 1.00 0.39 C ATOM 2973 C SER B 44 11.782 6.172 -8.345 1.00 0.35 C ATOM 2974 O SER B 44 12.326 7.163 -7.854 1.00 0.40 O ATOM 2975 CB SER B 44 10.481 6.281 -10.481 1.00 0.46 C ATOM 2976 OG SER B 44 9.559 5.213 -10.327 1.00 1.09 O ATOM 0 H SER B 44 11.346 4.010 -10.525 1.00 0.36 H new ATOM 0 HA SER B 44 12.607 6.554 -10.270 1.00 0.39 H new ATOM 0 HB2 SER B 44 10.082 7.183 -10.017 1.00 0.46 H new ATOM 0 HB3 SER B 44 10.618 6.501 -11.540 1.00 0.46 H new ATOM 0 HG SER B 44 8.703 5.458 -10.736 1.00 1.09 H new ATOM 2982 N PHE B 45 11.168 5.247 -7.618 1.00 0.30 N ATOM 2983 CA PHE B 45 10.973 5.392 -6.179 1.00 0.28 C ATOM 2984 C PHE B 45 12.234 5.034 -5.414 1.00 0.28 C ATOM 2985 O PHE B 45 12.170 4.679 -4.247 1.00 0.27 O ATOM 2986 CB PHE B 45 9.825 4.507 -5.688 1.00 0.31 C ATOM 2987 CG PHE B 45 8.608 4.525 -6.564 1.00 0.28 C ATOM 2988 CD1 PHE B 45 7.980 5.715 -6.901 1.00 1.17 C ATOM 2989 CD2 PHE B 45 8.091 3.338 -7.050 1.00 1.28 C ATOM 2990 CE1 PHE B 45 6.858 5.711 -7.706 1.00 1.18 C ATOM 2991 CE2 PHE B 45 6.972 3.328 -7.853 1.00 1.34 C ATOM 2992 CZ PHE B 45 6.353 4.513 -8.180 1.00 0.47 C ATOM 0 H PHE B 45 10.793 4.381 -8.005 1.00 0.30 H new ATOM 0 HA PHE B 45 10.728 6.438 -5.994 1.00 0.28 H new ATOM 0 HB2 PHE B 45 10.183 3.481 -5.606 1.00 0.31 H new ATOM 0 HB3 PHE B 45 9.540 4.826 -4.685 1.00 0.31 H new ATOM 0 HD1 PHE B 45 8.371 6.651 -6.531 1.00 1.17 H new ATOM 0 HD2 PHE B 45 8.572 2.405 -6.796 1.00 1.28 H new ATOM 0 HE1 PHE B 45 6.375 6.642 -7.965 1.00 1.18 H new ATOM 0 HE2 PHE B 45 6.581 2.392 -8.225 1.00 1.34 H new ATOM 0 HZ PHE B 45 5.473 4.508 -8.806 1.00 0.47 H new ATOM 3002 N LEU B 46 13.377 5.132 -6.059 1.00 0.32 N ATOM 3003 CA LEU B 46 14.627 4.992 -5.345 1.00 0.33 C ATOM 3004 C LEU B 46 15.181 6.374 -5.030 1.00 0.39 C ATOM 3005 O LEU B 46 15.879 6.559 -4.042 1.00 0.47 O ATOM 3006 CB LEU B 46 15.642 4.152 -6.132 1.00 0.35 C ATOM 3007 CG LEU B 46 15.146 2.764 -6.560 1.00 0.32 C ATOM 3008 CD1 LEU B 46 16.317 1.864 -6.922 1.00 0.41 C ATOM 3009 CD2 LEU B 46 14.281 2.131 -5.473 1.00 0.30 C ATOM 0 H LEU B 46 13.467 5.305 -7.060 1.00 0.32 H new ATOM 0 HA LEU B 46 14.439 4.459 -4.413 1.00 0.33 H new ATOM 0 HB2 LEU B 46 15.936 4.706 -7.023 1.00 0.35 H new ATOM 0 HB3 LEU B 46 16.538 4.029 -5.523 1.00 0.35 H new ATOM 0 HG LEU B 46 14.525 2.884 -7.448 1.00 0.32 H new ATOM 0 HD11 LEU B 46 15.944 0.885 -7.223 1.00 0.41 H new ATOM 0 HD12 LEU B 46 16.876 2.308 -7.746 1.00 0.41 H new ATOM 0 HD13 LEU B 46 16.972 1.753 -6.057 1.00 0.41 H new ATOM 0 HD21 LEU B 46 13.943 1.149 -5.803 1.00 0.30 H new ATOM 0 HD22 LEU B 46 14.865 2.026 -4.559 1.00 0.30 H new ATOM 0 HD23 LEU B 46 13.416 2.766 -5.280 1.00 0.30 H new ATOM 3021 N GLY B 47 14.823 7.349 -5.866 1.00 0.41 N ATOM 3022 CA GLY B 47 15.276 8.730 -5.701 1.00 0.49 C ATOM 3023 C GLY B 47 16.781 8.919 -5.865 1.00 0.53 C ATOM 3024 O GLY B 47 17.232 9.962 -6.333 1.00 0.60 O ATOM 0 H GLY B 47 14.215 7.205 -6.672 1.00 0.41 H new ATOM 0 HA2 GLY B 47 14.761 9.359 -6.428 1.00 0.49 H new ATOM 0 HA3 GLY B 47 14.983 9.081 -4.711 1.00 0.49 H new ATOM 3028 N LYS B 48 17.544 7.921 -5.475 1.00 0.54 N ATOM 3029 CA LYS B 48 18.987 7.933 -5.609 1.00 0.67 C ATOM 3030 C LYS B 48 19.436 6.630 -6.251 1.00 0.70 C ATOM 3031 O LYS B 48 19.718 6.588 -7.448 1.00 1.18 O ATOM 3032 CB LYS B 48 19.630 8.129 -4.225 1.00 0.82 C ATOM 3033 CG LYS B 48 21.105 7.752 -4.128 1.00 1.41 C ATOM 3034 CD LYS B 48 21.983 8.570 -5.056 1.00 2.04 C ATOM 3035 CE LYS B 48 23.451 8.224 -4.860 1.00 2.61 C ATOM 3036 NZ LYS B 48 23.727 6.778 -5.085 1.00 3.21 N ATOM 0 H LYS B 48 17.177 7.069 -5.051 1.00 0.54 H new ATOM 0 HA LYS B 48 19.303 8.759 -6.247 1.00 0.67 H new ATOM 0 HB2 LYS B 48 19.520 9.175 -3.937 1.00 0.82 H new ATOM 0 HB3 LYS B 48 19.073 7.538 -3.498 1.00 0.82 H new ATOM 0 HG2 LYS B 48 21.443 7.889 -3.101 1.00 1.41 H new ATOM 0 HG3 LYS B 48 21.221 6.694 -4.364 1.00 1.41 H new ATOM 0 HD2 LYS B 48 21.697 8.384 -6.091 1.00 2.04 H new ATOM 0 HD3 LYS B 48 21.827 9.632 -4.868 1.00 2.04 H new ATOM 0 HE2 LYS B 48 24.056 8.818 -5.545 1.00 2.61 H new ATOM 0 HE3 LYS B 48 23.754 8.496 -3.849 1.00 2.61 H new ATOM 0 HZ1 LYS B 48 24.730 6.650 -5.326 1.00 3.21 H new ATOM 0 HZ2 LYS B 48 23.508 6.244 -4.220 1.00 3.21 H new ATOM 0 HZ3 LYS B 48 23.136 6.429 -5.866 1.00 3.21 H new ATOM 3050 N ARG B 49 19.438 5.567 -5.455 1.00 0.54 N ATOM 3051 CA ARG B 49 19.848 4.242 -5.899 1.00 0.54 C ATOM 3052 C ARG B 49 19.989 3.346 -4.686 1.00 0.51 C ATOM 3053 O ARG B 49 20.253 3.831 -3.587 1.00 0.55 O ATOM 3054 CB ARG B 49 21.188 4.285 -6.645 1.00 0.66 C ATOM 3055 CG ARG B 49 21.489 3.014 -7.423 1.00 0.74 C ATOM 3056 CD ARG B 49 20.419 2.752 -8.469 1.00 0.73 C ATOM 3057 NE ARG B 49 20.269 3.889 -9.376 1.00 1.28 N ATOM 3058 CZ ARG B 49 19.146 4.190 -10.021 1.00 1.46 C ATOM 3059 NH1 ARG B 49 18.093 3.386 -9.944 1.00 1.43 N ATOM 3060 NH2 ARG B 49 19.086 5.288 -10.763 1.00 2.26 N ATOM 0 H ARG B 49 19.153 5.602 -4.476 1.00 0.54 H new ATOM 0 HA ARG B 49 19.091 3.859 -6.584 1.00 0.54 H new ATOM 0 HB2 ARG B 49 21.185 5.131 -7.333 1.00 0.66 H new ATOM 0 HB3 ARG B 49 21.989 4.461 -5.927 1.00 0.66 H new ATOM 0 HG2 ARG B 49 22.462 3.101 -7.906 1.00 0.74 H new ATOM 0 HG3 ARG B 49 21.548 2.169 -6.737 1.00 0.74 H new ATOM 0 HD2 ARG B 49 20.677 1.861 -9.040 1.00 0.73 H new ATOM 0 HD3 ARG B 49 19.468 2.550 -7.976 1.00 0.73 H new ATOM 0 HE ARG B 49 21.079 4.491 -9.524 1.00 1.28 H new ATOM 0 HH11 ARG B 49 18.143 2.532 -9.388 1.00 1.43 H new ATOM 0 HH12 ARG B 49 17.234 3.622 -10.441 1.00 1.43 H new ATOM 0 HH21 ARG B 49 19.900 5.898 -10.837 1.00 2.26 H new ATOM 0 HH22 ARG B 49 18.226 5.522 -11.259 1.00 2.26 H new ATOM 3074 N THR B 50 19.808 2.053 -4.876 1.00 0.51 N ATOM 3075 CA THR B 50 20.019 1.108 -3.807 1.00 0.51 C ATOM 3076 C THR B 50 21.513 0.950 -3.535 1.00 0.61 C ATOM 3077 O THR B 50 22.214 0.224 -4.240 1.00 0.82 O ATOM 3078 CB THR B 50 19.390 -0.247 -4.156 1.00 0.57 C ATOM 3079 OG1 THR B 50 19.701 -0.592 -5.515 1.00 0.69 O ATOM 3080 CG2 THR B 50 17.879 -0.201 -3.974 1.00 0.57 C ATOM 0 H THR B 50 19.516 1.638 -5.761 1.00 0.51 H new ATOM 0 HA THR B 50 19.537 1.486 -2.905 1.00 0.51 H new ATOM 0 HB THR B 50 19.800 -1.001 -3.485 1.00 0.57 H new ATOM 0 HG1 THR B 50 20.657 -0.453 -5.677 1.00 0.69 H new ATOM 0 HG21 THR B 50 17.452 -1.172 -4.227 1.00 0.57 H new ATOM 0 HG22 THR B 50 17.645 0.040 -2.937 1.00 0.57 H new ATOM 0 HG23 THR B 50 17.457 0.562 -4.628 1.00 0.57 H new ATOM 3088 N ASP B 51 21.993 1.661 -2.525 1.00 0.58 N ATOM 3089 CA ASP B 51 23.400 1.617 -2.151 1.00 0.72 C ATOM 3090 C ASP B 51 23.623 0.557 -1.091 1.00 0.60 C ATOM 3091 O ASP B 51 22.741 0.296 -0.278 1.00 0.58 O ATOM 3092 CB ASP B 51 23.875 2.981 -1.637 1.00 0.91 C ATOM 3093 CG ASP B 51 24.116 3.987 -2.749 1.00 1.35 C ATOM 3094 OD1 ASP B 51 25.166 3.893 -3.418 1.00 1.98 O ATOM 3095 OD2 ASP B 51 23.270 4.885 -2.951 1.00 1.91 O ATOM 0 H ASP B 51 21.425 2.279 -1.946 1.00 0.58 H new ATOM 0 HA ASP B 51 23.981 1.365 -3.038 1.00 0.72 H new ATOM 0 HB2 ASP B 51 23.132 3.382 -0.948 1.00 0.91 H new ATOM 0 HB3 ASP B 51 24.796 2.848 -1.070 1.00 0.91 H new ATOM 3100 N GLU B 52 24.803 -0.041 -1.094 1.00 0.68 N ATOM 3101 CA GLU B 52 25.117 -1.136 -0.183 1.00 0.66 C ATOM 3102 C GLU B 52 25.086 -0.682 1.276 1.00 0.55 C ATOM 3103 O GLU B 52 24.469 -1.331 2.123 1.00 0.50 O ATOM 3104 CB GLU B 52 26.480 -1.723 -0.539 1.00 0.83 C ATOM 3105 CG GLU B 52 26.508 -2.332 -1.930 1.00 1.57 C ATOM 3106 CD GLU B 52 27.909 -2.598 -2.431 1.00 2.22 C ATOM 3107 OE1 GLU B 52 28.578 -1.634 -2.857 1.00 2.79 O ATOM 3108 OE2 GLU B 52 28.338 -3.771 -2.419 1.00 2.89 O ATOM 0 H GLU B 52 25.566 0.214 -1.721 1.00 0.68 H new ATOM 0 HA GLU B 52 24.354 -1.906 -0.295 1.00 0.66 H new ATOM 0 HB2 GLU B 52 27.237 -0.941 -0.473 1.00 0.83 H new ATOM 0 HB3 GLU B 52 26.745 -2.486 0.193 1.00 0.83 H new ATOM 0 HG2 GLU B 52 25.947 -3.267 -1.923 1.00 1.57 H new ATOM 0 HG3 GLU B 52 26.001 -1.662 -2.624 1.00 1.57 H new ATOM 3115 N ALA B 53 25.718 0.450 1.565 1.00 0.58 N ATOM 3116 CA ALA B 53 25.757 0.971 2.930 1.00 0.58 C ATOM 3117 C ALA B 53 24.391 1.504 3.347 1.00 0.53 C ATOM 3118 O ALA B 53 24.128 1.722 4.528 1.00 0.58 O ATOM 3119 CB ALA B 53 26.808 2.059 3.058 1.00 0.70 C ATOM 0 H ALA B 53 26.208 1.023 0.878 1.00 0.58 H new ATOM 0 HA ALA B 53 26.023 0.150 3.596 1.00 0.58 H new ATOM 0 HB1 ALA B 53 26.821 2.434 4.082 1.00 0.70 H new ATOM 0 HB2 ALA B 53 27.787 1.650 2.809 1.00 0.70 H new ATOM 0 HB3 ALA B 53 26.571 2.876 2.376 1.00 0.70 H new ATOM 3125 N ALA B 54 23.533 1.725 2.367 1.00 0.52 N ATOM 3126 CA ALA B 54 22.189 2.210 2.623 1.00 0.51 C ATOM 3127 C ALA B 54 21.208 1.061 2.790 1.00 0.39 C ATOM 3128 O ALA B 54 20.270 1.147 3.574 1.00 0.35 O ATOM 3129 CB ALA B 54 21.733 3.094 1.490 1.00 0.63 C ATOM 0 H ALA B 54 23.745 1.575 1.381 1.00 0.52 H new ATOM 0 HA ALA B 54 22.214 2.781 3.551 1.00 0.51 H new ATOM 0 HB1 ALA B 54 20.724 3.453 1.692 1.00 0.63 H new ATOM 0 HB2 ALA B 54 22.408 3.944 1.398 1.00 0.63 H new ATOM 0 HB3 ALA B 54 21.737 2.525 0.560 1.00 0.63 H new ATOM 3135 N PHE B 55 21.408 -0.005 2.029 1.00 0.38 N ATOM 3136 CA PHE B 55 20.476 -1.125 2.043 1.00 0.32 C ATOM 3137 C PHE B 55 20.528 -1.879 3.368 1.00 0.31 C ATOM 3138 O PHE B 55 19.544 -2.503 3.772 1.00 0.31 O ATOM 3139 CB PHE B 55 20.724 -2.083 0.878 1.00 0.41 C ATOM 3140 CG PHE B 55 19.442 -2.628 0.322 1.00 0.36 C ATOM 3141 CD1 PHE B 55 18.629 -3.441 1.095 1.00 1.23 C ATOM 3142 CD2 PHE B 55 19.032 -2.297 -0.956 1.00 1.25 C ATOM 3143 CE1 PHE B 55 17.430 -3.912 0.603 1.00 1.30 C ATOM 3144 CE2 PHE B 55 17.838 -2.770 -1.454 1.00 1.22 C ATOM 3145 CZ PHE B 55 17.034 -3.576 -0.673 1.00 0.46 C ATOM 0 H PHE B 55 22.201 -0.119 1.398 1.00 0.38 H new ATOM 0 HA PHE B 55 19.477 -0.704 1.927 1.00 0.32 H new ATOM 0 HB2 PHE B 55 21.270 -1.564 0.090 1.00 0.41 H new ATOM 0 HB3 PHE B 55 21.354 -2.907 1.213 1.00 0.41 H new ATOM 0 HD1 PHE B 55 18.938 -3.709 2.095 1.00 1.23 H new ATOM 0 HD2 PHE B 55 19.654 -1.662 -1.570 1.00 1.25 H new ATOM 0 HE1 PHE B 55 16.803 -4.542 1.216 1.00 1.30 H new ATOM 0 HE2 PHE B 55 17.531 -2.510 -2.456 1.00 1.22 H new ATOM 0 HZ PHE B 55 16.096 -3.943 -1.062 1.00 0.46 H new ATOM 3155 N GLN B 56 21.665 -1.812 4.053 1.00 0.35 N ATOM 3156 CA GLN B 56 21.769 -2.391 5.387 1.00 0.41 C ATOM 3157 C GLN B 56 20.793 -1.681 6.319 1.00 0.42 C ATOM 3158 O GLN B 56 20.329 -2.243 7.309 1.00 0.52 O ATOM 3159 CB GLN B 56 23.201 -2.290 5.921 1.00 0.51 C ATOM 3160 CG GLN B 56 23.665 -0.871 6.201 1.00 0.53 C ATOM 3161 CD GLN B 56 25.112 -0.813 6.645 1.00 0.69 C ATOM 3162 OE1 GLN B 56 25.624 -1.746 7.264 1.00 1.15 O ATOM 3163 NE2 GLN B 56 25.778 0.286 6.336 1.00 1.53 N ATOM 0 H GLN B 56 22.518 -1.368 3.712 1.00 0.35 H new ATOM 0 HA GLN B 56 21.514 -3.450 5.336 1.00 0.41 H new ATOM 0 HB2 GLN B 56 23.276 -2.872 6.840 1.00 0.51 H new ATOM 0 HB3 GLN B 56 23.879 -2.746 5.199 1.00 0.51 H new ATOM 0 HG2 GLN B 56 23.539 -0.267 5.303 1.00 0.53 H new ATOM 0 HG3 GLN B 56 23.033 -0.431 6.972 1.00 0.53 H new ATOM 0 HE21 GLN B 56 25.315 1.035 5.822 1.00 1.53 H new ATOM 0 HE22 GLN B 56 26.755 0.385 6.612 1.00 1.53 H new ATOM 3172 N LYS B 57 20.483 -0.439 5.970 1.00 0.36 N ATOM 3173 CA LYS B 57 19.460 0.330 6.652 1.00 0.39 C ATOM 3174 C LYS B 57 18.092 -0.026 6.083 1.00 0.34 C ATOM 3175 O LYS B 57 17.168 -0.339 6.825 1.00 0.41 O ATOM 3176 CB LYS B 57 19.708 1.829 6.457 1.00 0.44 C ATOM 3177 CG LYS B 57 21.053 2.310 6.965 1.00 0.54 C ATOM 3178 CD LYS B 57 21.365 3.704 6.444 1.00 0.61 C ATOM 3179 CE LYS B 57 22.624 4.278 7.072 1.00 0.79 C ATOM 3180 NZ LYS B 57 22.505 4.403 8.549 1.00 1.27 N ATOM 0 H LYS B 57 20.936 0.061 5.205 1.00 0.36 H new ATOM 0 HA LYS B 57 19.493 0.095 7.716 1.00 0.39 H new ATOM 0 HB2 LYS B 57 19.629 2.063 5.395 1.00 0.44 H new ATOM 0 HB3 LYS B 57 18.921 2.385 6.966 1.00 0.44 H new ATOM 0 HG2 LYS B 57 21.053 2.317 8.055 1.00 0.54 H new ATOM 0 HG3 LYS B 57 21.834 1.617 6.651 1.00 0.54 H new ATOM 0 HD2 LYS B 57 21.484 3.668 5.361 1.00 0.61 H new ATOM 0 HD3 LYS B 57 20.523 4.365 6.650 1.00 0.61 H new ATOM 0 HE2 LYS B 57 23.473 3.639 6.830 1.00 0.79 H new ATOM 0 HE3 LYS B 57 22.829 5.258 6.641 1.00 0.79 H new ATOM 0 HZ1 LYS B 57 23.241 5.047 8.903 1.00 1.27 H new ATOM 0 HZ2 LYS B 57 21.567 4.782 8.791 1.00 1.27 H new ATOM 0 HZ3 LYS B 57 22.624 3.467 8.987 1.00 1.27 H new ATOM 3194 N LEU B 58 17.998 -0.003 4.751 1.00 0.27 N ATOM 3195 CA LEU B 58 16.729 -0.167 4.040 1.00 0.25 C ATOM 3196 C LEU B 58 15.955 -1.394 4.497 1.00 0.24 C ATOM 3197 O LEU B 58 14.810 -1.276 4.916 1.00 0.26 O ATOM 3198 CB LEU B 58 16.950 -0.262 2.532 1.00 0.22 C ATOM 3199 CG LEU B 58 15.654 -0.335 1.731 1.00 0.22 C ATOM 3200 CD1 LEU B 58 14.879 0.947 1.898 1.00 0.26 C ATOM 3201 CD2 LEU B 58 15.910 -0.588 0.263 1.00 0.23 C ATOM 0 H LEU B 58 18.800 0.130 4.135 1.00 0.27 H new ATOM 0 HA LEU B 58 16.140 0.719 4.276 1.00 0.25 H new ATOM 0 HB2 LEU B 58 17.524 0.604 2.202 1.00 0.22 H new ATOM 0 HB3 LEU B 58 17.552 -1.145 2.316 1.00 0.22 H new ATOM 0 HG LEU B 58 15.074 -1.174 2.116 1.00 0.22 H new ATOM 0 HD11 LEU B 58 13.954 0.890 1.324 1.00 0.26 H new ATOM 0 HD12 LEU B 58 14.644 1.095 2.952 1.00 0.26 H new ATOM 0 HD13 LEU B 58 15.478 1.784 1.539 1.00 0.26 H new ATOM 0 HD21 LEU B 58 14.960 -0.633 -0.270 1.00 0.23 H new ATOM 0 HD22 LEU B 58 16.517 0.220 -0.145 1.00 0.23 H new ATOM 0 HD23 LEU B 58 16.438 -1.534 0.143 1.00 0.23 H new ATOM 3213 N MET B 59 16.584 -2.558 4.392 1.00 0.24 N ATOM 3214 CA MET B 59 15.958 -3.822 4.783 1.00 0.27 C ATOM 3215 C MET B 59 15.226 -3.701 6.112 1.00 0.34 C ATOM 3216 O MET B 59 14.039 -4.003 6.208 1.00 0.41 O ATOM 3217 CB MET B 59 17.028 -4.923 4.843 1.00 0.28 C ATOM 3218 CG MET B 59 16.728 -6.100 5.776 1.00 0.30 C ATOM 3219 SD MET B 59 15.081 -6.806 5.588 1.00 0.31 S ATOM 3220 CE MET B 59 14.962 -6.945 3.815 1.00 0.25 C ATOM 0 H MET B 59 17.535 -2.656 4.037 1.00 0.24 H new ATOM 0 HA MET B 59 15.211 -4.085 4.034 1.00 0.27 H new ATOM 0 HB2 MET B 59 17.177 -5.312 3.836 1.00 0.28 H new ATOM 0 HB3 MET B 59 17.970 -4.470 5.153 1.00 0.28 H new ATOM 0 HG2 MET B 59 17.466 -6.882 5.601 1.00 0.30 H new ATOM 0 HG3 MET B 59 16.852 -5.770 6.807 1.00 0.30 H new ATOM 0 HE1 MET B 59 14.278 -7.754 3.559 1.00 0.25 H new ATOM 0 HE2 MET B 59 14.588 -6.009 3.401 1.00 0.25 H new ATOM 0 HE3 MET B 59 15.947 -7.157 3.400 1.00 0.25 H new ATOM 3230 N SER B 60 15.919 -3.205 7.114 1.00 0.39 N ATOM 3231 CA SER B 60 15.371 -3.148 8.451 1.00 0.51 C ATOM 3232 C SER B 60 14.631 -1.826 8.687 1.00 0.44 C ATOM 3233 O SER B 60 14.064 -1.592 9.760 1.00 0.51 O ATOM 3234 CB SER B 60 16.495 -3.380 9.452 1.00 0.70 C ATOM 3235 OG SER B 60 15.991 -3.631 10.755 1.00 1.36 O ATOM 0 H SER B 60 16.865 -2.835 7.027 1.00 0.39 H new ATOM 0 HA SER B 60 14.627 -3.934 8.584 1.00 0.51 H new ATOM 0 HB2 SER B 60 17.103 -4.224 9.128 1.00 0.70 H new ATOM 0 HB3 SER B 60 17.148 -2.507 9.476 1.00 0.70 H new ATOM 0 HG SER B 60 15.054 -3.910 10.695 1.00 1.36 H new ATOM 3241 N ASN B 61 14.638 -0.958 7.679 1.00 0.37 N ATOM 3242 CA ASN B 61 13.811 0.239 7.700 1.00 0.42 C ATOM 3243 C ASN B 61 12.426 -0.135 7.235 1.00 0.44 C ATOM 3244 O ASN B 61 11.478 0.631 7.358 1.00 0.64 O ATOM 3245 CB ASN B 61 14.390 1.355 6.833 1.00 0.46 C ATOM 3246 CG ASN B 61 15.309 2.273 7.615 1.00 0.47 C ATOM 3247 OD1 ASN B 61 15.306 3.549 7.267 1.00 0.96 O flip ATOM 3248 ND2 ASN B 61 15.998 1.848 8.541 1.00 0.92 N flip ATOM 0 H ASN B 61 15.208 -1.063 6.839 1.00 0.37 H new ATOM 0 HA ASN B 61 13.778 0.628 8.718 1.00 0.42 H new ATOM 0 HB2 ASN B 61 14.940 0.917 6.000 1.00 0.46 H new ATOM 0 HB3 ASN B 61 13.575 1.939 6.405 1.00 0.46 H new ATOM 0 HD21 ASN B 61 15.975 0.857 8.781 1.00 0.92 H new ATOM 0 HD22 ASN B 61 16.593 2.487 9.069 1.00 0.92 H new ATOM 3255 N LEU B 62 12.330 -1.322 6.682 1.00 0.33 N ATOM 3256 CA LEU B 62 11.054 -1.943 6.454 1.00 0.39 C ATOM 3257 C LEU B 62 10.830 -2.975 7.535 1.00 0.54 C ATOM 3258 O LEU B 62 10.046 -2.755 8.452 1.00 1.18 O ATOM 3259 CB LEU B 62 10.985 -2.589 5.071 1.00 0.35 C ATOM 3260 CG LEU B 62 10.793 -1.618 3.909 1.00 0.25 C ATOM 3261 CD1 LEU B 62 9.628 -0.680 4.187 1.00 0.24 C ATOM 3262 CD2 LEU B 62 12.062 -0.835 3.615 1.00 0.22 C ATOM 0 H LEU B 62 13.130 -1.878 6.381 1.00 0.33 H new ATOM 0 HA LEU B 62 10.272 -1.184 6.489 1.00 0.39 H new ATOM 0 HB2 LEU B 62 11.903 -3.153 4.905 1.00 0.35 H new ATOM 0 HB3 LEU B 62 10.165 -3.307 5.063 1.00 0.35 H new ATOM 0 HG LEU B 62 10.562 -2.205 3.020 1.00 0.25 H new ATOM 0 HD11 LEU B 62 9.505 0.006 3.349 1.00 0.24 H new ATOM 0 HD12 LEU B 62 8.715 -1.262 4.317 1.00 0.24 H new ATOM 0 HD13 LEU B 62 9.828 -0.111 5.095 1.00 0.24 H new ATOM 0 HD21 LEU B 62 11.885 -0.155 2.782 1.00 0.22 H new ATOM 0 HD22 LEU B 62 12.348 -0.262 4.497 1.00 0.22 H new ATOM 0 HD23 LEU B 62 12.864 -1.526 3.355 1.00 0.22 H new ATOM 3274 N ASP B 63 11.586 -4.065 7.458 1.00 0.31 N ATOM 3275 CA ASP B 63 11.499 -5.132 8.440 1.00 0.33 C ATOM 3276 C ASP B 63 11.913 -4.630 9.812 1.00 0.37 C ATOM 3277 O ASP B 63 13.101 -4.463 10.108 1.00 0.43 O ATOM 3278 CB ASP B 63 12.366 -6.322 8.026 1.00 0.40 C ATOM 3279 CG ASP B 63 12.524 -7.340 9.135 1.00 0.38 C ATOM 3280 OD1 ASP B 63 11.517 -7.673 9.802 1.00 1.15 O ATOM 3281 OD2 ASP B 63 13.660 -7.810 9.345 1.00 1.08 O ATOM 0 H ASP B 63 12.269 -4.230 6.719 1.00 0.31 H new ATOM 0 HA ASP B 63 10.462 -5.463 8.490 1.00 0.33 H new ATOM 0 HB2 ASP B 63 11.922 -6.805 7.155 1.00 0.40 H new ATOM 0 HB3 ASP B 63 13.350 -5.963 7.725 1.00 0.40 H new ATOM 3286 N SER B 64 10.923 -4.382 10.644 1.00 0.43 N ATOM 3287 CA SER B 64 11.152 -3.837 11.964 1.00 0.52 C ATOM 3288 C SER B 64 11.498 -4.944 12.954 1.00 0.58 C ATOM 3289 O SER B 64 11.785 -4.684 14.124 1.00 0.71 O ATOM 3290 CB SER B 64 9.913 -3.071 12.418 1.00 0.67 C ATOM 3291 OG SER B 64 9.571 -2.058 11.480 1.00 1.14 O ATOM 0 H SER B 64 9.941 -4.552 10.425 1.00 0.43 H new ATOM 0 HA SER B 64 11.999 -3.152 11.925 1.00 0.52 H new ATOM 0 HB2 SER B 64 9.077 -3.761 12.536 1.00 0.67 H new ATOM 0 HB3 SER B 64 10.096 -2.622 13.394 1.00 0.67 H new ATOM 0 HG SER B 64 8.773 -1.581 11.790 1.00 1.14 H new ATOM 3297 N ASN B 65 11.483 -6.182 12.476 1.00 0.60 N ATOM 3298 CA ASN B 65 11.778 -7.333 13.320 1.00 0.75 C ATOM 3299 C ASN B 65 13.272 -7.622 13.299 1.00 0.76 C ATOM 3300 O ASN B 65 13.772 -8.414 14.099 1.00 0.91 O ATOM 3301 CB ASN B 65 11.002 -8.567 12.842 1.00 0.89 C ATOM 3302 CG ASN B 65 9.538 -8.268 12.572 1.00 1.52 C ATOM 3303 OD1 ASN B 65 8.691 -8.360 13.463 1.00 1.87 O ATOM 3304 ND2 ASN B 65 9.236 -7.913 11.335 1.00 2.34 N ATOM 0 H ASN B 65 11.269 -6.415 11.506 1.00 0.60 H new ATOM 0 HA ASN B 65 11.470 -7.102 14.340 1.00 0.75 H new ATOM 0 HB2 ASN B 65 11.464 -8.952 11.933 1.00 0.89 H new ATOM 0 HB3 ASN B 65 11.076 -9.352 13.595 1.00 0.89 H new ATOM 0 HD21 ASN B 65 8.269 -7.702 11.086 1.00 2.34 H new ATOM 0 HD22 ASN B 65 9.970 -7.850 10.629 1.00 2.34 H new ATOM 3311 N ARG B 66 13.975 -6.965 12.371 1.00 0.68 N ATOM 3312 CA ARG B 66 15.421 -7.119 12.216 1.00 0.81 C ATOM 3313 C ARG B 66 15.771 -8.575 11.923 1.00 0.88 C ATOM 3314 O ARG B 66 16.735 -9.122 12.462 1.00 1.11 O ATOM 3315 CB ARG B 66 16.162 -6.638 13.466 1.00 1.04 C ATOM 3316 CG ARG B 66 15.862 -5.196 13.842 1.00 1.10 C ATOM 3317 CD ARG B 66 16.691 -4.754 15.035 1.00 1.39 C ATOM 3318 NE ARG B 66 16.532 -5.656 16.173 1.00 2.08 N ATOM 3319 CZ ARG B 66 17.276 -5.611 17.274 1.00 2.77 C ATOM 3320 NH1 ARG B 66 18.190 -4.661 17.429 1.00 2.86 N ATOM 3321 NH2 ARG B 66 17.085 -6.509 18.230 1.00 3.79 N ATOM 0 H ARG B 66 13.556 -6.313 11.708 1.00 0.68 H new ATOM 0 HA ARG B 66 15.738 -6.503 11.374 1.00 0.81 H new ATOM 0 HB2 ARG B 66 15.899 -7.284 14.304 1.00 1.04 H new ATOM 0 HB3 ARG B 66 17.235 -6.746 13.305 1.00 1.04 H new ATOM 0 HG2 ARG B 66 16.068 -4.546 12.992 1.00 1.10 H new ATOM 0 HG3 ARG B 66 14.802 -5.091 14.074 1.00 1.10 H new ATOM 0 HD2 ARG B 66 17.742 -4.710 14.750 1.00 1.39 H new ATOM 0 HD3 ARG B 66 16.398 -3.746 15.327 1.00 1.39 H new ATOM 0 HE ARG B 66 15.802 -6.367 16.119 1.00 2.08 H new ATOM 0 HH11 ARG B 66 18.325 -3.960 16.701 1.00 2.86 H new ATOM 0 HH12 ARG B 66 18.757 -4.632 18.276 1.00 2.86 H new ATOM 0 HH21 ARG B 66 16.371 -7.229 18.118 1.00 3.79 H new ATOM 0 HH22 ARG B 66 17.652 -6.480 19.077 1.00 3.79 H new ATOM 3335 N ASP B 67 14.995 -9.179 11.042 1.00 0.75 N ATOM 3336 CA ASP B 67 15.145 -10.584 10.710 1.00 0.88 C ATOM 3337 C ASP B 67 15.825 -10.705 9.354 1.00 0.77 C ATOM 3338 O ASP B 67 16.235 -11.787 8.935 1.00 0.96 O ATOM 3339 CB ASP B 67 13.767 -11.257 10.700 1.00 1.00 C ATOM 3340 CG ASP B 67 13.831 -12.766 10.566 1.00 1.39 C ATOM 3341 OD1 ASP B 67 14.749 -13.388 11.139 1.00 1.95 O ATOM 3342 OD2 ASP B 67 12.940 -13.343 9.916 1.00 1.93 O ATOM 0 H ASP B 67 14.243 -8.710 10.537 1.00 0.75 H new ATOM 0 HA ASP B 67 15.763 -11.085 11.455 1.00 0.88 H new ATOM 0 HB2 ASP B 67 13.241 -11.004 11.621 1.00 1.00 H new ATOM 0 HB3 ASP B 67 13.180 -10.852 9.876 1.00 1.00 H new ATOM 3347 N ASN B 68 15.933 -9.559 8.675 1.00 0.62 N ATOM 3348 CA ASN B 68 16.646 -9.449 7.399 1.00 0.55 C ATOM 3349 C ASN B 68 15.862 -10.110 6.281 1.00 0.43 C ATOM 3350 O ASN B 68 16.432 -10.542 5.283 1.00 0.57 O ATOM 3351 CB ASN B 68 18.061 -10.045 7.474 1.00 0.77 C ATOM 3352 CG ASN B 68 19.050 -9.163 8.216 1.00 1.30 C ATOM 3353 OD1 ASN B 68 18.597 -8.493 9.262 1.00 1.41 O flip ATOM 3354 ND2 ASN B 68 20.227 -9.103 7.857 1.00 2.22 N flip ATOM 0 H ASN B 68 15.528 -8.680 8.996 1.00 0.62 H new ATOM 0 HA ASN B 68 16.744 -8.385 7.183 1.00 0.55 H new ATOM 0 HB2 ASN B 68 18.012 -11.016 7.966 1.00 0.77 H new ATOM 0 HB3 ASN B 68 18.428 -10.218 6.462 1.00 0.77 H new ATOM 0 HD21 ASN B 68 20.540 -9.634 7.045 1.00 2.22 H new ATOM 0 HD22 ASN B 68 20.888 -8.522 8.372 1.00 2.22 H new ATOM 3361 N GLU B 69 14.551 -10.146 6.446 1.00 0.42 N ATOM 3362 CA GLU B 69 13.650 -10.700 5.452 1.00 0.42 C ATOM 3363 C GLU B 69 12.231 -10.226 5.737 1.00 0.39 C ATOM 3364 O GLU B 69 11.607 -10.628 6.722 1.00 0.54 O ATOM 3365 CB GLU B 69 13.732 -12.233 5.405 1.00 0.60 C ATOM 3366 CG GLU B 69 13.626 -12.918 6.760 1.00 1.04 C ATOM 3367 CD GLU B 69 13.648 -14.429 6.648 1.00 1.44 C ATOM 3368 OE1 GLU B 69 14.644 -14.978 6.133 1.00 2.09 O ATOM 3369 OE2 GLU B 69 12.664 -15.080 7.065 1.00 1.84 O ATOM 0 H GLU B 69 14.080 -9.790 7.278 1.00 0.42 H new ATOM 0 HA GLU B 69 13.951 -10.343 4.467 1.00 0.42 H new ATOM 0 HB2 GLU B 69 12.935 -12.606 4.761 1.00 0.60 H new ATOM 0 HB3 GLU B 69 14.676 -12.519 4.942 1.00 0.60 H new ATOM 0 HG2 GLU B 69 14.450 -12.592 7.394 1.00 1.04 H new ATOM 0 HG3 GLU B 69 12.704 -12.606 7.250 1.00 1.04 H new ATOM 3376 N VAL B 70 11.745 -9.354 4.870 1.00 0.28 N ATOM 3377 CA VAL B 70 10.471 -8.682 5.066 1.00 0.25 C ATOM 3378 C VAL B 70 9.282 -9.637 4.939 1.00 0.25 C ATOM 3379 O VAL B 70 9.161 -10.376 3.958 1.00 0.33 O ATOM 3380 CB VAL B 70 10.341 -7.504 4.069 1.00 0.26 C ATOM 3381 CG1 VAL B 70 8.895 -7.170 3.765 1.00 0.29 C ATOM 3382 CG2 VAL B 70 11.041 -6.277 4.624 1.00 0.30 C ATOM 0 H VAL B 70 12.224 -9.091 4.008 1.00 0.28 H new ATOM 0 HA VAL B 70 10.453 -8.297 6.085 1.00 0.25 H new ATOM 0 HB VAL B 70 10.813 -7.813 3.136 1.00 0.26 H new ATOM 0 HG11 VAL B 70 8.854 -6.338 3.062 1.00 0.29 H new ATOM 0 HG12 VAL B 70 8.405 -8.040 3.327 1.00 0.29 H new ATOM 0 HG13 VAL B 70 8.384 -6.891 4.687 1.00 0.29 H new ATOM 0 HG21 VAL B 70 10.945 -5.453 3.917 1.00 0.30 H new ATOM 0 HG22 VAL B 70 10.585 -5.996 5.573 1.00 0.30 H new ATOM 0 HG23 VAL B 70 12.096 -6.500 4.781 1.00 0.30 H new ATOM 3392 N ASP B 71 8.426 -9.618 5.962 1.00 0.25 N ATOM 3393 CA ASP B 71 7.206 -10.422 5.987 1.00 0.29 C ATOM 3394 C ASP B 71 6.097 -9.738 5.195 1.00 0.22 C ATOM 3395 O ASP B 71 6.314 -8.695 4.590 1.00 0.21 O ATOM 3396 CB ASP B 71 6.743 -10.690 7.428 1.00 0.42 C ATOM 3397 CG ASP B 71 6.298 -9.439 8.170 1.00 1.18 C ATOM 3398 OD1 ASP B 71 5.144 -8.997 7.975 1.00 1.72 O ATOM 3399 OD2 ASP B 71 7.092 -8.910 8.979 1.00 2.06 O ATOM 0 H ASP B 71 8.560 -9.045 6.795 1.00 0.25 H new ATOM 0 HA ASP B 71 7.431 -11.381 5.521 1.00 0.29 H new ATOM 0 HB2 ASP B 71 5.919 -11.403 7.409 1.00 0.42 H new ATOM 0 HB3 ASP B 71 7.557 -11.159 7.980 1.00 0.42 H new ATOM 3404 N PHE B 72 4.902 -10.313 5.217 1.00 0.21 N ATOM 3405 CA PHE B 72 3.843 -9.890 4.313 1.00 0.19 C ATOM 3406 C PHE B 72 3.289 -8.503 4.654 1.00 0.15 C ATOM 3407 O PHE B 72 3.211 -7.645 3.772 1.00 0.14 O ATOM 3408 CB PHE B 72 2.719 -10.922 4.288 1.00 0.21 C ATOM 3409 CG PHE B 72 1.784 -10.769 3.121 1.00 0.20 C ATOM 3410 CD1 PHE B 72 2.217 -10.209 1.924 1.00 1.19 C ATOM 3411 CD2 PHE B 72 0.474 -11.197 3.216 1.00 1.18 C ATOM 3412 CE1 PHE B 72 1.358 -10.075 0.853 1.00 1.20 C ATOM 3413 CE2 PHE B 72 -0.388 -11.069 2.148 1.00 1.20 C ATOM 3414 CZ PHE B 72 0.054 -10.506 0.966 1.00 0.32 C ATOM 0 H PHE B 72 4.643 -11.071 5.849 1.00 0.21 H new ATOM 0 HA PHE B 72 4.287 -9.816 3.320 1.00 0.19 H new ATOM 0 HB2 PHE B 72 3.155 -11.921 4.264 1.00 0.21 H new ATOM 0 HB3 PHE B 72 2.147 -10.846 5.213 1.00 0.21 H new ATOM 0 HD1 PHE B 72 3.240 -9.874 1.832 1.00 1.19 H new ATOM 0 HD2 PHE B 72 0.121 -11.637 4.137 1.00 1.18 H new ATOM 0 HE1 PHE B 72 1.706 -9.634 -0.070 1.00 1.20 H new ATOM 0 HE2 PHE B 72 -1.409 -11.409 2.235 1.00 1.20 H new ATOM 0 HZ PHE B 72 -0.623 -10.404 0.131 1.00 0.32 H new ATOM 3424 N GLN B 73 2.894 -8.261 5.904 1.00 0.15 N ATOM 3425 CA GLN B 73 2.362 -6.947 6.257 1.00 0.14 C ATOM 3426 C GLN B 73 3.467 -5.912 6.159 1.00 0.12 C ATOM 3427 O GLN B 73 3.226 -4.795 5.713 1.00 0.13 O ATOM 3428 CB GLN B 73 1.726 -6.901 7.655 1.00 0.16 C ATOM 3429 CG GLN B 73 0.589 -5.899 7.736 1.00 0.26 C ATOM 3430 CD GLN B 73 0.134 -5.626 9.153 1.00 0.22 C ATOM 3431 OE1 GLN B 73 -0.720 -6.322 9.690 1.00 0.68 O ATOM 3432 NE2 GLN B 73 0.697 -4.604 9.763 1.00 0.60 N ATOM 0 H GLN B 73 2.930 -8.936 6.668 1.00 0.15 H new ATOM 0 HA GLN B 73 1.564 -6.727 5.547 1.00 0.14 H new ATOM 0 HB2 GLN B 73 1.354 -7.892 7.916 1.00 0.16 H new ATOM 0 HB3 GLN B 73 2.488 -6.643 8.390 1.00 0.16 H new ATOM 0 HG2 GLN B 73 0.905 -4.963 7.276 1.00 0.26 H new ATOM 0 HG3 GLN B 73 -0.256 -6.270 7.155 1.00 0.26 H new ATOM 0 HE21 GLN B 73 1.404 -4.049 9.281 1.00 0.60 H new ATOM 0 HE22 GLN B 73 0.426 -4.367 10.717 1.00 0.60 H new ATOM 3441 N GLU B 74 4.687 -6.305 6.528 1.00 0.14 N ATOM 3442 CA GLU B 74 5.833 -5.410 6.440 1.00 0.17 C ATOM 3443 C GLU B 74 6.111 -5.076 4.978 1.00 0.14 C ATOM 3444 O GLU B 74 6.529 -3.971 4.641 1.00 0.16 O ATOM 3445 CB GLU B 74 7.069 -6.054 7.060 1.00 0.27 C ATOM 3446 CG GLU B 74 8.101 -5.048 7.536 1.00 0.38 C ATOM 3447 CD GLU B 74 7.775 -4.508 8.913 1.00 0.43 C ATOM 3448 OE1 GLU B 74 6.972 -3.563 9.015 1.00 1.10 O ATOM 3449 OE2 GLU B 74 8.324 -5.039 9.909 1.00 1.21 O ATOM 0 H GLU B 74 4.903 -7.234 6.889 1.00 0.14 H new ATOM 0 HA GLU B 74 5.603 -4.497 6.989 1.00 0.17 H new ATOM 0 HB2 GLU B 74 6.762 -6.674 7.902 1.00 0.27 H new ATOM 0 HB3 GLU B 74 7.530 -6.717 6.328 1.00 0.27 H new ATOM 0 HG2 GLU B 74 9.084 -5.519 7.555 1.00 0.38 H new ATOM 0 HG3 GLU B 74 8.156 -4.222 6.827 1.00 0.38 H new ATOM 3456 N TYR B 75 5.866 -6.052 4.114 1.00 0.14 N ATOM 3457 CA TYR B 75 6.018 -5.870 2.681 1.00 0.14 C ATOM 3458 C TYR B 75 5.020 -4.847 2.172 1.00 0.11 C ATOM 3459 O TYR B 75 5.335 -4.036 1.311 1.00 0.13 O ATOM 3460 CB TYR B 75 5.826 -7.208 1.951 1.00 0.16 C ATOM 3461 CG TYR B 75 5.937 -7.122 0.445 1.00 0.17 C ATOM 3462 CD1 TYR B 75 4.869 -6.683 -0.334 1.00 1.19 C ATOM 3463 CD2 TYR B 75 7.112 -7.478 -0.197 1.00 1.21 C ATOM 3464 CE1 TYR B 75 4.973 -6.600 -1.707 1.00 1.20 C ATOM 3465 CE2 TYR B 75 7.222 -7.398 -1.576 1.00 1.22 C ATOM 3466 CZ TYR B 75 6.148 -6.957 -2.323 1.00 0.22 C ATOM 3467 OH TYR B 75 6.250 -6.876 -3.694 1.00 0.26 O ATOM 0 H TYR B 75 5.558 -6.986 4.387 1.00 0.14 H new ATOM 0 HA TYR B 75 7.025 -5.505 2.481 1.00 0.14 H new ATOM 0 HB2 TYR B 75 6.568 -7.917 2.318 1.00 0.16 H new ATOM 0 HB3 TYR B 75 4.846 -7.610 2.208 1.00 0.16 H new ATOM 0 HD1 TYR B 75 3.943 -6.403 0.146 1.00 1.19 H new ATOM 0 HD2 TYR B 75 7.954 -7.823 0.385 1.00 1.21 H new ATOM 0 HE1 TYR B 75 4.135 -6.256 -2.295 1.00 1.20 H new ATOM 0 HE2 TYR B 75 8.143 -7.679 -2.064 1.00 1.22 H new ATOM 0 HH TYR B 75 6.261 -5.935 -3.966 1.00 0.26 H new ATOM 3477 N CYS B 76 3.819 -4.874 2.714 1.00 0.11 N ATOM 3478 CA CYS B 76 2.771 -4.016 2.218 1.00 0.12 C ATOM 3479 C CYS B 76 2.801 -2.652 2.886 1.00 0.12 C ATOM 3480 O CYS B 76 2.517 -1.647 2.242 1.00 0.13 O ATOM 3481 CB CYS B 76 1.408 -4.683 2.399 1.00 0.14 C ATOM 3482 SG CYS B 76 1.334 -6.378 1.773 1.00 0.22 S ATOM 0 H CYS B 76 3.549 -5.477 3.491 1.00 0.11 H new ATOM 0 HA CYS B 76 2.943 -3.859 1.153 1.00 0.12 H new ATOM 0 HB2 CYS B 76 1.154 -4.686 3.459 1.00 0.14 H new ATOM 0 HB3 CYS B 76 0.651 -4.085 1.891 1.00 0.14 H new ATOM 0 HG CYS B 76 2.088 -7.144 2.504 1.00 0.22 H new ATOM 3488 N VAL B 77 3.143 -2.602 4.164 1.00 0.13 N ATOM 3489 CA VAL B 77 3.341 -1.319 4.814 1.00 0.14 C ATOM 3490 C VAL B 77 4.498 -0.609 4.128 1.00 0.14 C ATOM 3491 O VAL B 77 4.471 0.596 3.951 1.00 0.19 O ATOM 3492 CB VAL B 77 3.596 -1.454 6.331 1.00 0.16 C ATOM 3493 CG1 VAL B 77 4.791 -2.332 6.591 1.00 0.14 C ATOM 3494 CG2 VAL B 77 3.790 -0.099 6.986 1.00 0.20 C ATOM 0 H VAL B 77 3.286 -3.417 4.760 1.00 0.13 H new ATOM 0 HA VAL B 77 2.426 -0.735 4.717 1.00 0.14 H new ATOM 0 HB VAL B 77 2.713 -1.917 6.772 1.00 0.16 H new ATOM 0 HG11 VAL B 77 4.955 -2.415 7.665 1.00 0.14 H new ATOM 0 HG12 VAL B 77 4.612 -3.323 6.174 1.00 0.14 H new ATOM 0 HG13 VAL B 77 5.673 -1.895 6.122 1.00 0.14 H new ATOM 0 HG21 VAL B 77 3.967 -0.233 8.053 1.00 0.20 H new ATOM 0 HG22 VAL B 77 4.646 0.403 6.536 1.00 0.20 H new ATOM 0 HG23 VAL B 77 2.896 0.507 6.840 1.00 0.20 H new ATOM 3504 N PHE B 78 5.484 -1.391 3.702 1.00 0.11 N ATOM 3505 CA PHE B 78 6.539 -0.918 2.814 1.00 0.11 C ATOM 3506 C PHE B 78 5.945 -0.124 1.661 1.00 0.11 C ATOM 3507 O PHE B 78 6.365 0.993 1.363 1.00 0.11 O ATOM 3508 CB PHE B 78 7.304 -2.135 2.280 1.00 0.12 C ATOM 3509 CG PHE B 78 8.080 -1.903 1.015 1.00 0.12 C ATOM 3510 CD1 PHE B 78 7.495 -2.106 -0.230 1.00 1.17 C ATOM 3511 CD2 PHE B 78 9.399 -1.507 1.072 1.00 1.18 C ATOM 3512 CE1 PHE B 78 8.219 -1.911 -1.388 1.00 1.18 C ATOM 3513 CE2 PHE B 78 10.128 -1.308 -0.081 1.00 1.18 C ATOM 3514 CZ PHE B 78 9.540 -1.510 -1.314 1.00 0.15 C ATOM 0 H PHE B 78 5.574 -2.373 3.964 1.00 0.11 H new ATOM 0 HA PHE B 78 7.216 -0.262 3.361 1.00 0.11 H new ATOM 0 HB2 PHE B 78 7.994 -2.477 3.052 1.00 0.12 H new ATOM 0 HB3 PHE B 78 6.593 -2.943 2.107 1.00 0.12 H new ATOM 0 HD1 PHE B 78 6.463 -2.420 -0.291 1.00 1.17 H new ATOM 0 HD2 PHE B 78 9.867 -1.351 2.032 1.00 1.18 H new ATOM 0 HE1 PHE B 78 7.755 -2.071 -2.350 1.00 1.18 H new ATOM 0 HE2 PHE B 78 11.160 -0.994 -0.020 1.00 1.18 H new ATOM 0 HZ PHE B 78 10.110 -1.355 -2.218 1.00 0.15 H new ATOM 3524 N LEU B 79 4.944 -0.718 1.036 1.00 0.14 N ATOM 3525 CA LEU B 79 4.277 -0.127 -0.104 1.00 0.16 C ATOM 3526 C LEU B 79 3.526 1.133 0.266 1.00 0.17 C ATOM 3527 O LEU B 79 3.623 2.150 -0.419 1.00 0.20 O ATOM 3528 CB LEU B 79 3.318 -1.128 -0.716 1.00 0.15 C ATOM 3529 CG LEU B 79 3.949 -2.077 -1.716 1.00 0.15 C ATOM 3530 CD1 LEU B 79 3.874 -3.508 -1.231 1.00 0.19 C ATOM 3531 CD2 LEU B 79 3.245 -1.920 -3.031 1.00 0.14 C ATOM 0 H LEU B 79 4.571 -1.628 1.308 1.00 0.14 H new ATOM 0 HA LEU B 79 5.046 0.145 -0.827 1.00 0.16 H new ATOM 0 HB2 LEU B 79 2.865 -1.713 0.084 1.00 0.15 H new ATOM 0 HB3 LEU B 79 2.512 -0.585 -1.209 1.00 0.15 H new ATOM 0 HG LEU B 79 5.005 -1.834 -1.833 1.00 0.15 H new ATOM 0 HD11 LEU B 79 4.334 -4.166 -1.968 1.00 0.19 H new ATOM 0 HD12 LEU B 79 4.403 -3.599 -0.283 1.00 0.19 H new ATOM 0 HD13 LEU B 79 2.831 -3.791 -1.093 1.00 0.19 H new ATOM 0 HD21 LEU B 79 3.687 -2.596 -3.763 1.00 0.14 H new ATOM 0 HD22 LEU B 79 2.188 -2.158 -2.909 1.00 0.14 H new ATOM 0 HD23 LEU B 79 3.348 -0.892 -3.378 1.00 0.14 H new ATOM 3543 N SER B 80 2.797 1.081 1.358 1.00 0.19 N ATOM 3544 CA SER B 80 1.974 2.198 1.740 1.00 0.21 C ATOM 3545 C SER B 80 2.850 3.316 2.254 1.00 0.20 C ATOM 3546 O SER B 80 2.500 4.484 2.191 1.00 0.24 O ATOM 3547 CB SER B 80 0.962 1.748 2.774 1.00 0.22 C ATOM 3548 OG SER B 80 1.541 0.860 3.709 1.00 0.18 O ATOM 0 H SER B 80 2.759 0.282 1.991 1.00 0.19 H new ATOM 0 HA SER B 80 1.424 2.577 0.879 1.00 0.21 H new ATOM 0 HB2 SER B 80 0.561 2.617 3.295 1.00 0.22 H new ATOM 0 HB3 SER B 80 0.124 1.260 2.277 1.00 0.22 H new ATOM 0 HG SER B 80 0.839 0.310 4.116 1.00 0.18 H new ATOM 3554 N CYS B 81 4.016 2.931 2.717 1.00 0.17 N ATOM 3555 CA CYS B 81 5.019 3.861 3.159 1.00 0.18 C ATOM 3556 C CYS B 81 5.773 4.461 1.994 1.00 0.33 C ATOM 3557 O CYS B 81 6.517 5.403 2.177 1.00 0.72 O ATOM 3558 CB CYS B 81 5.952 3.181 4.130 1.00 0.30 C ATOM 3559 SG CYS B 81 5.101 2.703 5.639 1.00 1.83 S ATOM 0 H CYS B 81 4.294 1.953 2.797 1.00 0.17 H new ATOM 0 HA CYS B 81 4.525 4.687 3.671 1.00 0.18 H new ATOM 0 HB2 CYS B 81 6.386 2.298 3.661 1.00 0.30 H new ATOM 0 HB3 CYS B 81 6.777 3.851 4.373 1.00 0.30 H new ATOM 0 HG CYS B 81 4.649 3.765 6.237 1.00 1.83 H new ATOM 3565 N ILE B 82 5.629 3.880 0.811 1.00 0.17 N ATOM 3566 CA ILE B 82 6.079 4.557 -0.397 1.00 0.19 C ATOM 3567 C ILE B 82 5.008 5.540 -0.851 1.00 0.21 C ATOM 3568 O ILE B 82 5.265 6.729 -0.992 1.00 0.28 O ATOM 3569 CB ILE B 82 6.408 3.599 -1.567 1.00 0.19 C ATOM 3570 CG1 ILE B 82 7.589 2.696 -1.210 1.00 0.24 C ATOM 3571 CG2 ILE B 82 6.718 4.404 -2.827 1.00 0.24 C ATOM 3572 CD1 ILE B 82 8.347 2.183 -2.421 1.00 0.41 C ATOM 0 H ILE B 82 5.213 2.961 0.662 1.00 0.17 H new ATOM 0 HA ILE B 82 7.007 5.066 -0.136 1.00 0.19 H new ATOM 0 HB ILE B 82 5.540 2.967 -1.754 1.00 0.19 H new ATOM 0 HG12 ILE B 82 8.276 3.247 -0.568 1.00 0.24 H new ATOM 0 HG13 ILE B 82 7.225 1.846 -0.632 1.00 0.24 H new ATOM 0 HG21 ILE B 82 6.949 3.723 -3.646 1.00 0.24 H new ATOM 0 HG22 ILE B 82 5.853 5.011 -3.093 1.00 0.24 H new ATOM 0 HG23 ILE B 82 7.574 5.053 -2.643 1.00 0.24 H new ATOM 0 HD11 ILE B 82 9.171 1.549 -2.093 1.00 0.41 H new ATOM 0 HD12 ILE B 82 7.674 1.604 -3.053 1.00 0.41 H new ATOM 0 HD13 ILE B 82 8.741 3.027 -2.988 1.00 0.41 H new ATOM 3584 N ALA B 83 3.798 5.041 -1.043 1.00 0.26 N ATOM 3585 CA ALA B 83 2.701 5.861 -1.544 1.00 0.32 C ATOM 3586 C ALA B 83 2.381 7.016 -0.597 1.00 0.32 C ATOM 3587 O ALA B 83 2.191 8.152 -1.027 1.00 0.35 O ATOM 3588 CB ALA B 83 1.475 5.001 -1.765 1.00 0.42 C ATOM 0 H ALA B 83 3.548 4.069 -0.860 1.00 0.26 H new ATOM 0 HA ALA B 83 3.011 6.296 -2.494 1.00 0.32 H new ATOM 0 HB1 ALA B 83 0.659 5.620 -2.139 1.00 0.42 H new ATOM 0 HB2 ALA B 83 1.703 4.222 -2.493 1.00 0.42 H new ATOM 0 HB3 ALA B 83 1.179 4.541 -0.822 1.00 0.42 H new ATOM 3594 N MET B 84 2.335 6.723 0.692 1.00 0.33 N ATOM 3595 CA MET B 84 2.059 7.737 1.704 1.00 0.36 C ATOM 3596 C MET B 84 3.289 8.573 1.982 1.00 0.36 C ATOM 3597 O MET B 84 3.203 9.668 2.530 1.00 0.48 O ATOM 3598 CB MET B 84 1.552 7.082 2.976 1.00 0.38 C ATOM 3599 CG MET B 84 1.310 8.042 4.120 1.00 0.44 C ATOM 3600 SD MET B 84 1.139 7.158 5.668 1.00 0.38 S ATOM 3601 CE MET B 84 2.439 5.956 5.418 1.00 0.22 C ATOM 0 H MET B 84 2.486 5.786 1.067 1.00 0.33 H new ATOM 0 HA MET B 84 1.284 8.403 1.324 1.00 0.36 H new ATOM 0 HB2 MET B 84 0.622 6.558 2.755 1.00 0.38 H new ATOM 0 HB3 MET B 84 2.273 6.330 3.295 1.00 0.38 H new ATOM 0 HG2 MET B 84 2.137 8.748 4.189 1.00 0.44 H new ATOM 0 HG3 MET B 84 0.409 8.624 3.927 1.00 0.44 H new ATOM 0 HE1 MET B 84 2.790 5.593 6.384 1.00 0.22 H new ATOM 0 HE2 MET B 84 2.054 5.120 4.834 1.00 0.22 H new ATOM 0 HE3 MET B 84 3.267 6.421 4.883 1.00 0.22 H new ATOM 3611 N MET B 85 4.441 8.062 1.614 1.00 0.28 N ATOM 3612 CA MET B 85 5.629 8.872 1.628 1.00 0.29 C ATOM 3613 C MET B 85 5.532 9.886 0.494 1.00 0.34 C ATOM 3614 O MET B 85 5.868 11.058 0.650 1.00 0.48 O ATOM 3615 CB MET B 85 6.849 8.007 1.468 1.00 0.28 C ATOM 3616 CG MET B 85 8.119 8.748 1.786 1.00 0.32 C ATOM 3617 SD MET B 85 9.493 8.277 0.722 1.00 0.29 S ATOM 3618 CE MET B 85 9.582 6.546 1.141 1.00 0.25 C ATOM 0 H MET B 85 4.577 7.100 1.305 1.00 0.28 H new ATOM 0 HA MET B 85 5.716 9.396 2.580 1.00 0.29 H new ATOM 0 HB2 MET B 85 6.764 7.139 2.121 1.00 0.28 H new ATOM 0 HB3 MET B 85 6.895 7.633 0.445 1.00 0.28 H new ATOM 0 HG2 MET B 85 7.942 9.819 1.689 1.00 0.32 H new ATOM 0 HG3 MET B 85 8.391 8.563 2.825 1.00 0.32 H new ATOM 0 HE1 MET B 85 10.626 6.247 1.231 1.00 0.25 H new ATOM 0 HE2 MET B 85 9.072 6.374 2.089 1.00 0.25 H new ATOM 0 HE3 MET B 85 9.102 5.957 0.359 1.00 0.25 H new ATOM 3628 N CYS B 86 5.017 9.409 -0.637 1.00 0.31 N ATOM 3629 CA CYS B 86 4.746 10.247 -1.798 1.00 0.34 C ATOM 3630 C CYS B 86 3.662 11.268 -1.479 1.00 0.39 C ATOM 3631 O CYS B 86 3.511 12.273 -2.174 1.00 0.46 O ATOM 3632 CB CYS B 86 4.303 9.384 -2.979 1.00 0.39 C ATOM 3633 SG CYS B 86 4.009 10.314 -4.497 1.00 0.94 S ATOM 0 H CYS B 86 4.776 8.427 -0.772 1.00 0.31 H new ATOM 0 HA CYS B 86 5.663 10.775 -2.060 1.00 0.34 H new ATOM 0 HB2 CYS B 86 5.065 8.628 -3.170 1.00 0.39 H new ATOM 0 HB3 CYS B 86 3.390 8.854 -2.707 1.00 0.39 H new ATOM 0 HG CYS B 86 3.640 9.499 -5.441 1.00 0.94 H new ATOM 3639 N ASN B 87 2.908 11.000 -0.422 1.00 0.45 N ATOM 3640 CA ASN B 87 1.888 11.921 0.051 1.00 0.58 C ATOM 3641 C ASN B 87 2.523 13.272 0.389 1.00 0.68 C ATOM 3642 O ASN B 87 1.861 14.301 0.365 1.00 0.89 O ATOM 3643 CB ASN B 87 1.186 11.335 1.280 1.00 0.72 C ATOM 3644 CG ASN B 87 -0.021 12.131 1.735 1.00 1.10 C ATOM 3645 OD1 ASN B 87 -0.765 12.685 0.793 1.00 1.72 O flip ATOM 3646 ND2 ASN B 87 -0.305 12.214 2.927 1.00 1.77 N flip ATOM 0 H ASN B 87 2.986 10.144 0.127 1.00 0.45 H new ATOM 0 HA ASN B 87 1.147 12.071 -0.734 1.00 0.58 H new ATOM 0 HB2 ASN B 87 0.873 10.315 1.056 1.00 0.72 H new ATOM 0 HB3 ASN B 87 1.901 11.276 2.101 1.00 0.72 H new ATOM 0 HD21 ASN B 87 0.293 11.773 3.626 1.00 1.77 H new ATOM 0 HD22 ASN B 87 -1.139 12.724 3.218 1.00 1.77 H new ATOM 3653 N GLU B 88 3.821 13.259 0.683 1.00 0.70 N ATOM 3654 CA GLU B 88 4.562 14.485 0.955 1.00 0.89 C ATOM 3655 C GLU B 88 5.162 15.067 -0.325 1.00 0.86 C ATOM 3656 O GLU B 88 5.430 16.262 -0.409 1.00 1.06 O ATOM 3657 CB GLU B 88 5.682 14.226 1.963 1.00 1.03 C ATOM 3658 CG GLU B 88 5.193 13.750 3.317 1.00 1.51 C ATOM 3659 CD GLU B 88 6.305 13.715 4.342 1.00 1.72 C ATOM 3660 OE1 GLU B 88 6.811 14.802 4.704 1.00 1.98 O ATOM 3661 OE2 GLU B 88 6.677 12.613 4.791 1.00 2.33 O ATOM 0 H GLU B 88 4.382 12.409 0.739 1.00 0.70 H new ATOM 0 HA GLU B 88 3.857 15.204 1.372 1.00 0.89 H new ATOM 0 HB2 GLU B 88 6.363 13.481 1.551 1.00 1.03 H new ATOM 0 HB3 GLU B 88 6.256 15.143 2.097 1.00 1.03 H new ATOM 0 HG2 GLU B 88 4.398 14.408 3.667 1.00 1.51 H new ATOM 0 HG3 GLU B 88 4.761 12.754 3.217 1.00 1.51 H new ATOM 3668 N PHE B 89 5.387 14.217 -1.312 1.00 0.69 N ATOM 3669 CA PHE B 89 6.013 14.643 -2.556 1.00 0.71 C ATOM 3670 C PHE B 89 4.981 15.072 -3.599 1.00 0.73 C ATOM 3671 O PHE B 89 4.858 16.257 -3.907 1.00 0.88 O ATOM 3672 CB PHE B 89 6.892 13.521 -3.099 1.00 0.69 C ATOM 3673 CG PHE B 89 8.056 13.208 -2.201 1.00 0.91 C ATOM 3674 CD1 PHE B 89 9.246 13.907 -2.318 1.00 1.53 C ATOM 3675 CD2 PHE B 89 7.955 12.225 -1.234 1.00 1.65 C ATOM 3676 CE1 PHE B 89 10.314 13.629 -1.486 1.00 1.89 C ATOM 3677 CE2 PHE B 89 9.020 11.940 -0.401 1.00 1.99 C ATOM 3678 CZ PHE B 89 10.202 12.642 -0.526 1.00 1.81 C ATOM 0 H PHE B 89 5.146 13.226 -1.278 1.00 0.69 H new ATOM 0 HA PHE B 89 6.630 15.515 -2.341 1.00 0.71 H new ATOM 0 HB2 PHE B 89 6.288 12.623 -3.230 1.00 0.69 H new ATOM 0 HB3 PHE B 89 7.264 13.801 -4.084 1.00 0.69 H new ATOM 0 HD1 PHE B 89 9.340 14.678 -3.068 1.00 1.53 H new ATOM 0 HD2 PHE B 89 7.033 11.673 -1.128 1.00 1.65 H new ATOM 0 HE1 PHE B 89 11.236 14.183 -1.586 1.00 1.89 H new ATOM 0 HE2 PHE B 89 8.928 11.168 0.348 1.00 1.99 H new ATOM 0 HZ PHE B 89 11.036 12.421 0.124 1.00 1.81 H new ATOM 3688 N PHE B 90 4.239 14.107 -4.124 1.00 0.63 N ATOM 3689 CA PHE B 90 3.252 14.370 -5.165 1.00 0.66 C ATOM 3690 C PHE B 90 2.114 15.231 -4.628 1.00 0.69 C ATOM 3691 O PHE B 90 1.688 16.194 -5.266 1.00 0.83 O ATOM 3692 CB PHE B 90 2.708 13.045 -5.710 1.00 0.69 C ATOM 3693 CG PHE B 90 1.602 13.197 -6.717 1.00 0.95 C ATOM 3694 CD1 PHE B 90 1.892 13.448 -8.048 1.00 1.44 C ATOM 3695 CD2 PHE B 90 0.275 13.085 -6.334 1.00 1.79 C ATOM 3696 CE1 PHE B 90 0.878 13.585 -8.978 1.00 1.68 C ATOM 3697 CE2 PHE B 90 -0.743 13.221 -7.260 1.00 2.09 C ATOM 3698 CZ PHE B 90 -0.439 13.472 -8.582 1.00 1.67 C ATOM 0 H PHE B 90 4.302 13.128 -3.845 1.00 0.63 H new ATOM 0 HA PHE B 90 3.736 14.917 -5.974 1.00 0.66 H new ATOM 0 HB2 PHE B 90 3.527 12.491 -6.168 1.00 0.69 H new ATOM 0 HB3 PHE B 90 2.344 12.445 -4.876 1.00 0.69 H new ATOM 0 HD1 PHE B 90 2.921 13.538 -8.363 1.00 1.44 H new ATOM 0 HD2 PHE B 90 0.033 12.889 -5.300 1.00 1.79 H new ATOM 0 HE1 PHE B 90 1.116 13.780 -10.013 1.00 1.68 H new ATOM 0 HE2 PHE B 90 -1.773 13.131 -6.949 1.00 2.09 H new ATOM 0 HZ PHE B 90 -1.232 13.580 -9.307 1.00 1.67 H new