USER MOD reduce.3.24.130724 H: found=0, std=0, add=1556, rem=0, adj=57 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+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: B 30 ASN : amide:sc= -1.56 X(o=-0.29,f=-0.46!) USER MOD Set 2.2: B 32 SER OG : rot 85:sc= 1.28 USER MOD Set 3.1: A 12 MET CE :methyl -165:sc= -0.373 (180deg=-0.961) USER MOD Set 3.2: A 80 SER OG : rot -119:sc= -2.27! USER MOD Set 3.3: B 12 MET CE :methyl -135:sc= -3.59! (180deg=-6.87!) USER MOD Set 3.4: B 80 SER OG : rot -89:sc= -0.929 USER MOD Set 4.1: A 87 ASN : amide:sc= 0.337 K(o=0.71,f=-0.47) USER MOD Set 4.2: B 17 HIS : no HD1:sc= 0.377 K(o=0.71,f=-2.6) USER MOD Set 5.1: A 81 CYS SG : rot 39:sc= -4.62! USER MOD Set 5.2: A 84 MET CE :methyl 179:sc= -3.34! (180deg=-3.35!) USER MOD Set 5.3: C1910 MET CE :methyl -169:sc= -5.2! (180deg=-5.77!) USER MOD Set 6.1: A 76 CYS SG : rot -60:sc= -4.73! USER MOD Set 6.2: B 84 MET CE :methyl 155:sc= -4.65! (180deg=-9.06!) USER MOD Set 7.1: A 57 LYS NZ :NH3+ -144:sc= 1.25 (180deg=0) USER MOD Set 7.2: A 61 ASN : amide:sc= 0.971 K(o=2.2,f=-7!) USER MOD Set 8.1: A 30 ASN : amide:sc= -1.52 X(o=-0.21,f=-0.1!) USER MOD Set 8.2: A 32 SER OG : rot 63:sc= 1.31 USER MOD Single : A 3 CYS SG : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ 172:sc= 2.38 (180deg=2.04) USER MOD Single : A 14 SER OG : rot 67:sc= 1.24 USER MOD Single : A 15 THR OG1 : rot 81:sc= 0.888 USER MOD Single : A 17 HIS : no HD1:sc= -0.0583 X(o=-0.058,f=-0.029) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 TYR OH : rot 35:sc= 1.01 USER MOD Single : A 20 SER OG : rot -95:sc= 0.927 USER MOD Single : A 28 LYS NZ :NH3+ 173:sc= 1.17 (180deg=1.1) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ -171:sc= 1.32 (180deg=1.11) USER MOD Single : A 39 THR OG1 : rot -9:sc= 0.0346 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 THR OG1 : rot 61:sc= 1.17 USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 MET CE :methyl 154:sc= -2.68! (180deg=-4.31!) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot -27:sc= 1.19 USER MOD Single : A 65 ASN :FLIP amide:sc= -0.343 F(o=-4.8!,f=-0.34) USER MOD Single : A 68 ASN : amide:sc= 0.898 K(o=0.9,f=-5.6!) USER MOD Single : A 73 GLN : amide:sc= -1.5! X(o=-1.5!,f=-1.1) USER MOD Single : A 75 TYR OH : rot -15:sc= -1.2 USER MOD Single : A 85 MET CE :methyl 173:sc= -8.02! (180deg=-8.87!) USER MOD Single : A 86 CYS SG : rot -19:sc= 0.191 USER MOD Single : B 3 CYS SG : rot 180:sc= 0 USER MOD Single : B 7 LYS NZ :NH3+ 166:sc= 2.37 (180deg=2.18) USER MOD Single : B 14 SER OG : rot 99:sc= 1.25 USER MOD Single : B 15 THR OG1 : rot 81:sc= 1.08 USER MOD Single : B 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 19 TYR OH : rot 33:sc= 0.859 USER MOD Single : B 20 SER OG : rot -87:sc= 0.943 USER MOD Single : B 28 LYS NZ :NH3+ -176:sc= 1.19 (180deg=1.1) USER MOD Single : B 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 35 LYS NZ :NH3+ -153:sc= 1.23 (180deg=1.07) USER MOD Single : B 39 THR OG1 : rot -9:sc= 0.125 USER MOD Single : B 44 SER OG : rot 180:sc= 0 USER MOD Single : B 48 LYS NZ :NH3+ -172:sc= 1.34 (180deg=0.996) USER MOD Single : B 50 THR OG1 : rot 46:sc= 0.297 USER MOD Single : B 56 GLN : amide:sc= 0.621 K(o=0.62,f=-0.62) USER MOD Single : B 57 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0254) USER MOD Single : B 59 MET CE :methyl 176:sc= -4.6! (180deg=-4.69!) USER MOD Single : B 60 SER OG : rot 180:sc= 0.0167 USER MOD Single : B 61 ASN : amide:sc= -1.44! C(o=-1.4!,f=-7.4!) USER MOD Single : B 65 ASN : amide:sc= 0.0566 X(o=0.057,f=0) USER MOD Single : B 68 ASN : amide:sc= -3.15! C(o=-3.2!,f=-5.6!) USER MOD Single : B 73 GLN : amide:sc= 0.846 K(o=0.85,f=-0.63) USER MOD Single : B 75 TYR OH : rot 109:sc= -0.881 USER MOD Single : B 76 CYS SG : rot 72:sc= 0.0515 USER MOD Single : B 81 CYS SG : rot 77:sc= -13.7! USER MOD Single : B 85 MET CE :methyl -136:sc= -0.119 (180deg=-1.6) USER MOD Single : B 86 CYS SG : rot -90:sc= -3.86! USER MOD Single : B 87 ASN :FLIP amide:sc= -3.52! C(o=-7.2!,f=-3.5!) USER MOD Single : C1904 THR OG1 : rot -120:sc= -1.33 USER MOD Single : C1906 THR OG1 : rot 180:sc= 0.116 USER MOD Single : C1911 ASN : amide:sc= -0.358 X(o=-0.36,f=-0.24) USER MOD Single : C1915 SER OG : rot -89:sc= 0.567 USER MOD Single : C1916 SER OG : rot 180:sc= 0 USER MOD Single : C1918 LYS NZ :NH3+ 151:sc= 0.8 (180deg=0.264) USER MOD Single : C1919 ASN : amide:sc= -0.061 X(o=-0.061,f=-0.12) USER MOD ----------------------------------------------------------------- ATOM 44 N GLU C1899 -14.624 -8.901 2.034 1.00 0.40 N ATOM 45 CA GLU C1899 -13.214 -9.176 2.129 1.00 0.29 C ATOM 46 C GLU C1899 -12.553 -8.085 2.953 1.00 0.24 C ATOM 47 O GLU C1899 -11.570 -8.316 3.652 1.00 0.27 O ATOM 48 CB GLU C1899 -12.630 -9.161 0.720 1.00 0.30 C ATOM 49 CG GLU C1899 -13.073 -7.931 -0.067 1.00 0.35 C ATOM 50 CD GLU C1899 -14.416 -8.121 -0.744 1.00 0.62 C ATOM 51 OE1 GLU C1899 -14.469 -8.692 -1.848 1.00 0.76 O ATOM 52 OE2 GLU C1899 -15.436 -7.715 -0.138 1.00 0.97 O ATOM 0 HA GLU C1899 -13.044 -10.144 2.600 1.00 0.29 H new ATOM 0 HB2 GLU C1899 -11.542 -9.182 0.778 1.00 0.30 H new ATOM 0 HB3 GLU C1899 -12.939 -10.062 0.190 1.00 0.30 H new ATOM 0 HG2 GLU C1899 -13.128 -7.075 0.606 1.00 0.35 H new ATOM 0 HG3 GLU C1899 -12.321 -7.697 -0.820 1.00 0.35 H new ATOM 59 N LEU C1900 -13.140 -6.885 2.876 1.00 0.24 N ATOM 60 CA LEU C1900 -12.600 -5.709 3.542 1.00 0.25 C ATOM 61 C LEU C1900 -12.710 -5.833 5.062 1.00 0.28 C ATOM 62 O LEU C1900 -12.296 -4.942 5.796 1.00 0.44 O ATOM 63 CB LEU C1900 -13.297 -4.417 3.070 1.00 0.33 C ATOM 64 CG LEU C1900 -12.932 -3.900 1.669 1.00 0.20 C ATOM 65 CD1 LEU C1900 -11.436 -3.892 1.447 1.00 0.22 C ATOM 66 CD2 LEU C1900 -13.628 -4.671 0.590 1.00 0.31 C ATOM 0 H LEU C1900 -13.997 -6.709 2.352 1.00 0.24 H new ATOM 0 HA LEU C1900 -11.546 -5.649 3.271 1.00 0.25 H new ATOM 0 HB2 LEU C1900 -14.374 -4.582 3.100 1.00 0.33 H new ATOM 0 HB3 LEU C1900 -13.075 -3.630 3.790 1.00 0.33 H new ATOM 0 HG LEU C1900 -13.282 -2.869 1.615 1.00 0.20 H new ATOM 0 HD11 LEU C1900 -11.219 -3.520 0.446 1.00 0.22 H new ATOM 0 HD12 LEU C1900 -10.962 -3.245 2.185 1.00 0.22 H new ATOM 0 HD13 LEU C1900 -11.047 -4.905 1.550 1.00 0.22 H new ATOM 0 HD21 LEU C1900 -13.342 -4.273 -0.384 1.00 0.31 H new ATOM 0 HD22 LEU C1900 -13.342 -5.721 0.651 1.00 0.31 H new ATOM 0 HD23 LEU C1900 -14.707 -4.581 0.716 1.00 0.31 H new ATOM 78 N GLU C1901 -13.274 -6.939 5.530 1.00 0.27 N ATOM 79 CA GLU C1901 -13.339 -7.209 6.953 1.00 0.34 C ATOM 80 C GLU C1901 -11.952 -7.583 7.440 1.00 0.37 C ATOM 81 O GLU C1901 -11.372 -6.896 8.268 1.00 0.52 O ATOM 82 CB GLU C1901 -14.329 -8.338 7.244 1.00 0.48 C ATOM 83 CG GLU C1901 -14.573 -8.574 8.725 1.00 1.00 C ATOM 84 CD GLU C1901 -15.487 -9.753 8.982 1.00 1.11 C ATOM 85 OE1 GLU C1901 -16.723 -9.588 8.896 1.00 1.44 O ATOM 86 OE2 GLU C1901 -14.971 -10.854 9.268 1.00 1.48 O ATOM 0 H GLU C1901 -13.692 -7.661 4.942 1.00 0.27 H new ATOM 0 HA GLU C1901 -13.687 -6.319 7.477 1.00 0.34 H new ATOM 0 HB2 GLU C1901 -15.279 -8.109 6.761 1.00 0.48 H new ATOM 0 HB3 GLU C1901 -13.957 -9.259 6.795 1.00 0.48 H new ATOM 0 HG2 GLU C1901 -13.619 -8.742 9.225 1.00 1.00 H new ATOM 0 HG3 GLU C1901 -15.009 -7.677 9.165 1.00 1.00 H new ATOM 93 N ASP C1902 -11.415 -8.658 6.878 1.00 0.37 N ATOM 94 CA ASP C1902 -10.062 -9.099 7.191 1.00 0.46 C ATOM 95 C ASP C1902 -9.053 -8.165 6.537 1.00 0.44 C ATOM 96 O ASP C1902 -7.951 -7.960 7.050 1.00 0.58 O ATOM 97 CB ASP C1902 -9.834 -10.526 6.685 1.00 0.60 C ATOM 98 CG ASP C1902 -10.954 -11.470 7.068 1.00 1.18 C ATOM 99 OD1 ASP C1902 -12.005 -11.471 6.392 1.00 2.01 O ATOM 100 OD2 ASP C1902 -10.783 -12.225 8.049 1.00 1.42 O ATOM 0 H ASP C1902 -11.900 -9.244 6.198 1.00 0.37 H new ATOM 0 HA ASP C1902 -9.932 -9.081 8.273 1.00 0.46 H new ATOM 0 HB2 ASP C1902 -9.733 -10.510 5.600 1.00 0.60 H new ATOM 0 HB3 ASP C1902 -8.894 -10.903 7.087 1.00 0.60 H new ATOM 105 N ALA C1903 -9.453 -7.602 5.396 1.00 0.36 N ATOM 106 CA ALA C1903 -8.604 -6.705 4.616 1.00 0.46 C ATOM 107 C ALA C1903 -8.071 -5.564 5.445 1.00 0.37 C ATOM 108 O ALA C1903 -6.897 -5.516 5.809 1.00 0.37 O ATOM 109 CB ALA C1903 -9.387 -6.090 3.471 1.00 0.66 C ATOM 0 H ALA C1903 -10.375 -7.756 4.988 1.00 0.36 H new ATOM 0 HA ALA C1903 -7.777 -7.314 4.250 1.00 0.46 H new ATOM 0 HB1 ALA C1903 -8.737 -5.425 2.902 1.00 0.66 H new ATOM 0 HB2 ALA C1903 -9.759 -6.880 2.819 1.00 0.66 H new ATOM 0 HB3 ALA C1903 -10.228 -5.522 3.869 1.00 0.66 H new ATOM 115 N THR C1904 -8.972 -4.662 5.763 1.00 0.37 N ATOM 116 CA THR C1904 -8.601 -3.400 6.327 1.00 0.36 C ATOM 117 C THR C1904 -8.672 -3.441 7.841 1.00 0.34 C ATOM 118 O THR C1904 -8.385 -2.458 8.516 1.00 0.36 O ATOM 119 CB THR C1904 -9.475 -2.288 5.729 1.00 0.40 C ATOM 120 OG1 THR C1904 -10.862 -2.578 5.927 1.00 0.42 O ATOM 121 CG2 THR C1904 -9.200 -2.178 4.238 1.00 0.40 C ATOM 0 H THR C1904 -9.976 -4.789 5.636 1.00 0.37 H new ATOM 0 HA THR C1904 -7.564 -3.181 6.072 1.00 0.36 H new ATOM 0 HB THR C1904 -9.234 -1.349 6.227 1.00 0.40 H new ATOM 0 HG1 THR C1904 -11.310 -2.640 5.058 1.00 0.42 H new ATOM 0 HG21 THR C1904 -9.819 -1.389 3.811 1.00 0.40 H new ATOM 0 HG22 THR C1904 -8.148 -1.940 4.079 1.00 0.40 H new ATOM 0 HG23 THR C1904 -9.435 -3.126 3.754 1.00 0.40 H new ATOM 129 N GLU C1905 -9.047 -4.596 8.374 1.00 0.32 N ATOM 130 CA GLU C1905 -8.855 -4.866 9.786 1.00 0.32 C ATOM 131 C GLU C1905 -7.390 -4.648 10.096 1.00 0.28 C ATOM 132 O GLU C1905 -7.012 -3.878 10.980 1.00 0.32 O ATOM 133 CB GLU C1905 -9.192 -6.314 10.095 1.00 0.36 C ATOM 134 CG GLU C1905 -9.001 -6.691 11.555 1.00 0.62 C ATOM 135 CD GLU C1905 -9.923 -5.929 12.482 1.00 1.25 C ATOM 136 OE1 GLU C1905 -11.132 -6.240 12.516 1.00 1.76 O ATOM 137 OE2 GLU C1905 -9.443 -5.021 13.188 1.00 2.06 O ATOM 0 H GLU C1905 -9.483 -5.355 7.851 1.00 0.32 H new ATOM 0 HA GLU C1905 -9.497 -4.214 10.378 1.00 0.32 H new ATOM 0 HB2 GLU C1905 -10.228 -6.504 9.813 1.00 0.36 H new ATOM 0 HB3 GLU C1905 -8.569 -6.962 9.478 1.00 0.36 H new ATOM 0 HG2 GLU C1905 -9.175 -7.760 11.675 1.00 0.62 H new ATOM 0 HG3 GLU C1905 -7.967 -6.502 11.842 1.00 0.62 H new ATOM 144 N THR C1906 -6.576 -5.329 9.304 1.00 0.25 N ATOM 145 CA THR C1906 -5.141 -5.246 9.413 1.00 0.24 C ATOM 146 C THR C1906 -4.645 -3.887 8.936 1.00 0.21 C ATOM 147 O THR C1906 -3.500 -3.515 9.203 1.00 0.19 O ATOM 148 CB THR C1906 -4.472 -6.357 8.589 1.00 0.29 C ATOM 149 OG1 THR C1906 -5.435 -7.380 8.283 1.00 0.48 O ATOM 150 CG2 THR C1906 -3.318 -6.972 9.361 1.00 0.47 C ATOM 0 H THR C1906 -6.901 -5.955 8.567 1.00 0.25 H new ATOM 0 HA THR C1906 -4.875 -5.372 10.462 1.00 0.24 H new ATOM 0 HB THR C1906 -4.089 -5.921 7.666 1.00 0.29 H new ATOM 0 HG1 THR C1906 -5.006 -8.086 7.756 1.00 0.48 H new ATOM 0 HG21 THR C1906 -2.857 -7.757 8.762 1.00 0.47 H new ATOM 0 HG22 THR C1906 -2.578 -6.203 9.584 1.00 0.47 H new ATOM 0 HG23 THR C1906 -3.690 -7.398 10.293 1.00 0.47 H new ATOM 158 N ALA C1907 -5.503 -3.150 8.216 1.00 0.23 N ATOM 159 CA ALA C1907 -5.154 -1.792 7.807 1.00 0.21 C ATOM 160 C ALA C1907 -4.794 -0.944 9.017 1.00 0.21 C ATOM 161 O ALA C1907 -3.814 -0.208 8.988 1.00 0.21 O ATOM 162 CB ALA C1907 -6.261 -1.124 7.001 1.00 0.22 C ATOM 0 H ALA C1907 -6.424 -3.467 7.912 1.00 0.23 H new ATOM 0 HA ALA C1907 -4.284 -1.871 7.155 1.00 0.21 H new ATOM 0 HB1 ALA C1907 -5.951 -0.117 6.722 1.00 0.22 H new ATOM 0 HB2 ALA C1907 -6.457 -1.706 6.100 1.00 0.22 H new ATOM 0 HB3 ALA C1907 -7.168 -1.071 7.603 1.00 0.22 H new ATOM 168 N ASP C1908 -5.591 -1.057 10.076 1.00 0.24 N ATOM 169 CA ASP C1908 -5.279 -0.397 11.343 1.00 0.26 C ATOM 170 C ASP C1908 -3.859 -0.737 11.796 1.00 0.27 C ATOM 171 O ASP C1908 -3.063 0.157 12.076 1.00 0.34 O ATOM 172 CB ASP C1908 -6.274 -0.803 12.431 1.00 0.33 C ATOM 173 CG ASP C1908 -5.909 -0.234 13.791 1.00 0.44 C ATOM 174 OD1 ASP C1908 -5.136 -0.879 14.526 1.00 0.68 O ATOM 175 OD2 ASP C1908 -6.388 0.867 14.132 1.00 0.58 O ATOM 0 H ASP C1908 -6.456 -1.598 10.084 1.00 0.24 H new ATOM 0 HA ASP C1908 -5.353 0.678 11.181 1.00 0.26 H new ATOM 0 HB2 ASP C1908 -7.271 -0.462 12.153 1.00 0.33 H new ATOM 0 HB3 ASP C1908 -6.315 -1.890 12.494 1.00 0.33 H new ATOM 180 N ALA C1909 -3.543 -2.030 11.842 1.00 0.23 N ATOM 181 CA ALA C1909 -2.217 -2.482 12.258 1.00 0.24 C ATOM 182 C ALA C1909 -1.130 -1.829 11.410 1.00 0.22 C ATOM 183 O ALA C1909 -0.258 -1.127 11.934 1.00 0.24 O ATOM 184 CB ALA C1909 -2.128 -3.999 12.177 1.00 0.27 C ATOM 0 H ALA C1909 -4.187 -2.782 11.597 1.00 0.23 H new ATOM 0 HA ALA C1909 -2.059 -2.181 13.294 1.00 0.24 H new ATOM 0 HB1 ALA C1909 -1.135 -4.322 12.490 1.00 0.27 H new ATOM 0 HB2 ALA C1909 -2.877 -4.443 12.832 1.00 0.27 H new ATOM 0 HB3 ALA C1909 -2.308 -4.320 11.151 1.00 0.27 H new ATOM 190 N MET C1910 -1.180 -2.077 10.104 1.00 0.19 N ATOM 191 CA MET C1910 -0.306 -1.415 9.142 1.00 0.19 C ATOM 192 C MET C1910 -0.261 0.102 9.314 1.00 0.19 C ATOM 193 O MET C1910 0.778 0.697 9.130 1.00 0.22 O ATOM 194 CB MET C1910 -0.741 -1.768 7.720 1.00 0.18 C ATOM 195 CG MET C1910 -0.090 -0.923 6.628 1.00 0.20 C ATOM 196 SD MET C1910 -0.467 -1.558 4.996 1.00 0.20 S ATOM 197 CE MET C1910 0.166 -3.226 5.151 1.00 0.14 C ATOM 0 H MET C1910 -1.828 -2.743 9.683 1.00 0.19 H new ATOM 0 HA MET C1910 0.704 -1.780 9.329 1.00 0.19 H new ATOM 0 HB2 MET C1910 -0.512 -2.817 7.534 1.00 0.18 H new ATOM 0 HB3 MET C1910 -1.823 -1.660 7.648 1.00 0.18 H new ATOM 0 HG2 MET C1910 -0.437 0.107 6.708 1.00 0.20 H new ATOM 0 HG3 MET C1910 0.990 -0.908 6.773 1.00 0.20 H new ATOM 0 HE1 MET C1910 0.190 -3.699 4.169 1.00 0.14 H new ATOM 0 HE2 MET C1910 1.174 -3.196 5.564 1.00 0.14 H new ATOM 0 HE3 MET C1910 -0.481 -3.800 5.814 1.00 0.14 H new ATOM 207 N ASN C1911 -1.366 0.731 9.670 1.00 0.21 N ATOM 208 CA ASN C1911 -1.407 2.194 9.745 1.00 0.22 C ATOM 209 C ASN C1911 -0.516 2.734 10.855 1.00 0.23 C ATOM 210 O ASN C1911 0.148 3.761 10.697 1.00 0.27 O ATOM 211 CB ASN C1911 -2.832 2.680 9.975 1.00 0.24 C ATOM 212 CG ASN C1911 -2.947 4.180 9.847 1.00 0.25 C ATOM 213 OD1 ASN C1911 -2.800 4.921 10.820 1.00 0.42 O ATOM 214 ND2 ASN C1911 -3.200 4.635 8.638 1.00 0.25 N ATOM 0 H ASN C1911 -2.241 0.266 9.911 1.00 0.21 H new ATOM 0 HA ASN C1911 -1.036 2.568 8.791 1.00 0.22 H new ATOM 0 HB2 ASN C1911 -3.498 2.203 9.256 1.00 0.24 H new ATOM 0 HB3 ASN C1911 -3.163 2.375 10.968 1.00 0.24 H new ATOM 0 HD21 ASN C1911 -3.282 5.639 8.478 1.00 0.25 H new ATOM 0 HD22 ASN C1911 -3.314 3.984 7.861 1.00 0.25 H new ATOM 221 N ARG C1912 -0.494 2.044 11.976 1.00 0.23 N ATOM 222 CA ARG C1912 0.259 2.496 13.121 1.00 0.26 C ATOM 223 C ARG C1912 1.744 2.418 12.837 1.00 0.28 C ATOM 224 O ARG C1912 2.514 3.297 13.224 1.00 0.38 O ATOM 225 CB ARG C1912 -0.105 1.653 14.332 1.00 0.30 C ATOM 226 CG ARG C1912 -1.369 2.116 15.048 1.00 0.75 C ATOM 227 CD ARG C1912 -2.536 2.265 14.082 1.00 1.46 C ATOM 228 NE ARG C1912 -3.792 2.592 14.754 1.00 2.17 N ATOM 229 CZ ARG C1912 -4.423 3.758 14.627 1.00 2.91 C ATOM 230 NH1 ARG C1912 -3.857 4.756 13.960 1.00 3.13 N ATOM 231 NH2 ARG C1912 -5.614 3.931 15.184 1.00 3.76 N ATOM 0 H ARG C1912 -0.992 1.165 12.116 1.00 0.23 H new ATOM 0 HA ARG C1912 0.011 3.537 13.330 1.00 0.26 H new ATOM 0 HB2 ARG C1912 -0.236 0.618 14.016 1.00 0.30 H new ATOM 0 HB3 ARG C1912 0.727 1.668 15.037 1.00 0.30 H new ATOM 0 HG2 ARG C1912 -1.630 1.400 15.827 1.00 0.75 H new ATOM 0 HG3 ARG C1912 -1.180 3.069 15.542 1.00 0.75 H new ATOM 0 HD2 ARG C1912 -2.304 3.045 13.357 1.00 1.46 H new ATOM 0 HD3 ARG C1912 -2.659 1.337 13.523 1.00 1.46 H new ATOM 0 HE ARG C1912 -4.211 1.884 15.357 1.00 2.17 H new ATOM 0 HH11 ARG C1912 -2.935 4.632 13.542 1.00 3.13 H new ATOM 0 HH12 ARG C1912 -4.344 5.647 13.865 1.00 3.13 H new ATOM 0 HH21 ARG C1912 -6.046 3.171 15.709 1.00 3.76 H new ATOM 0 HH22 ARG C1912 -6.098 4.824 15.087 1.00 3.76 H new ATOM 245 N GLU C1913 2.130 1.370 12.144 1.00 0.23 N ATOM 246 CA GLU C1913 3.507 1.206 11.732 1.00 0.25 C ATOM 247 C GLU C1913 3.806 2.028 10.482 1.00 0.22 C ATOM 248 O GLU C1913 4.879 2.580 10.363 1.00 0.27 O ATOM 249 CB GLU C1913 3.811 -0.265 11.474 1.00 0.29 C ATOM 250 CG GLU C1913 2.936 -0.882 10.400 1.00 0.29 C ATOM 251 CD GLU C1913 3.245 -2.340 10.170 1.00 0.39 C ATOM 252 OE1 GLU C1913 4.107 -2.891 10.880 1.00 0.79 O ATOM 253 OE2 GLU C1913 2.633 -2.940 9.262 1.00 0.57 O ATOM 0 H GLU C1913 1.508 0.616 11.853 1.00 0.23 H new ATOM 0 HA GLU C1913 4.145 1.565 12.539 1.00 0.25 H new ATOM 0 HB2 GLU C1913 4.857 -0.367 11.183 1.00 0.29 H new ATOM 0 HB3 GLU C1913 3.683 -0.823 12.402 1.00 0.29 H new ATOM 0 HG2 GLU C1913 1.889 -0.776 10.684 1.00 0.29 H new ATOM 0 HG3 GLU C1913 3.070 -0.334 9.467 1.00 0.29 H new ATOM 260 N VAL C1914 2.836 2.125 9.574 1.00 0.19 N ATOM 261 CA VAL C1914 3.027 2.792 8.282 1.00 0.20 C ATOM 262 C VAL C1914 3.402 4.248 8.477 1.00 0.18 C ATOM 263 O VAL C1914 4.232 4.798 7.758 1.00 0.20 O ATOM 264 CB VAL C1914 1.743 2.704 7.405 1.00 0.24 C ATOM 265 CG1 VAL C1914 0.753 3.808 7.723 1.00 0.26 C ATOM 266 CG2 VAL C1914 2.075 2.731 5.934 1.00 0.29 C ATOM 0 H VAL C1914 1.899 1.746 9.710 1.00 0.19 H new ATOM 0 HA VAL C1914 3.839 2.276 7.769 1.00 0.20 H new ATOM 0 HB VAL C1914 1.277 1.749 7.646 1.00 0.24 H new ATOM 0 HG11 VAL C1914 -0.125 3.704 7.086 1.00 0.26 H new ATOM 0 HG12 VAL C1914 0.453 3.738 8.769 1.00 0.26 H new ATOM 0 HG13 VAL C1914 1.219 4.777 7.543 1.00 0.26 H new ATOM 0 HG21 VAL C1914 1.155 2.668 5.352 1.00 0.29 H new ATOM 0 HG22 VAL C1914 2.593 3.660 5.695 1.00 0.29 H new ATOM 0 HG23 VAL C1914 2.717 1.885 5.690 1.00 0.29 H new ATOM 276 N SER C1915 2.802 4.852 9.477 1.00 0.21 N ATOM 277 CA SER C1915 2.994 6.251 9.736 1.00 0.28 C ATOM 278 C SER C1915 4.385 6.486 10.312 1.00 0.28 C ATOM 279 O SER C1915 4.992 7.545 10.120 1.00 0.36 O ATOM 280 CB SER C1915 1.889 6.719 10.663 1.00 0.36 C ATOM 281 OG SER C1915 1.808 5.902 11.821 1.00 1.31 O ATOM 0 H SER C1915 2.171 4.385 10.128 1.00 0.21 H new ATOM 0 HA SER C1915 2.937 6.833 8.816 1.00 0.28 H new ATOM 0 HB2 SER C1915 2.071 7.753 10.957 1.00 0.36 H new ATOM 0 HB3 SER C1915 0.936 6.701 10.135 1.00 0.36 H new ATOM 0 HG SER C1915 1.203 5.150 11.649 1.00 1.31 H new ATOM 287 N SER C1916 4.889 5.470 11.003 1.00 0.25 N ATOM 288 CA SER C1916 6.243 5.491 11.525 1.00 0.27 C ATOM 289 C SER C1916 7.242 5.014 10.462 1.00 0.27 C ATOM 290 O SER C1916 8.298 5.616 10.280 1.00 0.29 O ATOM 291 CB SER C1916 6.327 4.609 12.776 1.00 0.31 C ATOM 292 OG SER C1916 7.592 4.723 13.401 1.00 1.04 O ATOM 0 H SER C1916 4.372 4.616 11.214 1.00 0.25 H new ATOM 0 HA SER C1916 6.501 6.515 11.794 1.00 0.27 H new ATOM 0 HB2 SER C1916 5.545 4.895 13.479 1.00 0.31 H new ATOM 0 HB3 SER C1916 6.146 3.569 12.504 1.00 0.31 H new ATOM 0 HG SER C1916 7.617 4.151 14.196 1.00 1.04 H new ATOM 298 N LEU C1917 6.890 3.946 9.749 1.00 0.30 N ATOM 299 CA LEU C1917 7.762 3.350 8.749 1.00 0.30 C ATOM 300 C LEU C1917 7.994 4.313 7.589 1.00 0.26 C ATOM 301 O LEU C1917 9.136 4.520 7.174 1.00 0.26 O ATOM 302 CB LEU C1917 7.206 1.996 8.253 1.00 0.42 C ATOM 303 CG LEU C1917 8.177 1.158 7.394 1.00 0.57 C ATOM 304 CD1 LEU C1917 7.655 -0.243 7.160 1.00 1.25 C ATOM 305 CD2 LEU C1917 8.404 1.799 6.056 1.00 1.16 C ATOM 0 H LEU C1917 5.992 3.473 9.851 1.00 0.30 H new ATOM 0 HA LEU C1917 8.725 3.153 9.219 1.00 0.30 H new ATOM 0 HB2 LEU C1917 6.910 1.404 9.119 1.00 0.42 H new ATOM 0 HB3 LEU C1917 6.303 2.184 7.672 1.00 0.42 H new ATOM 0 HG LEU C1917 9.113 1.108 7.951 1.00 0.57 H new ATOM 0 HD11 LEU C1917 8.368 -0.800 6.551 1.00 1.25 H new ATOM 0 HD12 LEU C1917 7.524 -0.747 8.118 1.00 1.25 H new ATOM 0 HD13 LEU C1917 6.697 -0.193 6.642 1.00 1.25 H new ATOM 0 HD21 LEU C1917 9.092 1.188 5.472 1.00 1.16 H new ATOM 0 HD22 LEU C1917 7.455 1.883 5.527 1.00 1.16 H new ATOM 0 HD23 LEU C1917 8.831 2.792 6.196 1.00 1.16 H new ATOM 317 N LYS C1918 6.935 4.924 7.069 1.00 0.28 N ATOM 318 CA LYS C1918 7.094 5.852 5.958 1.00 0.29 C ATOM 319 C LYS C1918 7.998 7.015 6.386 1.00 0.32 C ATOM 320 O LYS C1918 8.575 7.719 5.559 1.00 0.38 O ATOM 321 CB LYS C1918 5.725 6.330 5.430 1.00 0.39 C ATOM 322 CG LYS C1918 5.484 7.820 5.525 1.00 0.29 C ATOM 323 CD LYS C1918 4.988 8.205 6.905 1.00 0.40 C ATOM 324 CE LYS C1918 5.371 9.629 7.233 1.00 0.69 C ATOM 325 NZ LYS C1918 4.907 10.042 8.580 1.00 1.36 N ATOM 0 H LYS C1918 5.976 4.797 7.392 1.00 0.28 H new ATOM 0 HA LYS C1918 7.578 5.340 5.126 1.00 0.29 H new ATOM 0 HB2 LYS C1918 5.630 6.028 4.387 1.00 0.39 H new ATOM 0 HB3 LYS C1918 4.940 5.815 5.983 1.00 0.39 H new ATOM 0 HG2 LYS C1918 6.407 8.356 5.304 1.00 0.29 H new ATOM 0 HG3 LYS C1918 4.753 8.122 4.775 1.00 0.29 H new ATOM 0 HD2 LYS C1918 3.905 8.095 6.951 1.00 0.40 H new ATOM 0 HD3 LYS C1918 5.409 7.529 7.650 1.00 0.40 H new ATOM 0 HE2 LYS C1918 6.455 9.733 7.177 1.00 0.69 H new ATOM 0 HE3 LYS C1918 4.947 10.298 6.484 1.00 0.69 H new ATOM 0 HZ1 LYS C1918 5.553 10.761 8.964 1.00 1.36 H new ATOM 0 HZ2 LYS C1918 3.948 10.439 8.510 1.00 1.36 H new ATOM 0 HZ3 LYS C1918 4.894 9.216 9.211 1.00 1.36 H new ATOM 339 N ASN C1919 8.137 7.172 7.702 1.00 0.31 N ATOM 340 CA ASN C1919 8.976 8.208 8.278 1.00 0.33 C ATOM 341 C ASN C1919 10.409 7.713 8.504 1.00 0.32 C ATOM 342 O ASN C1919 11.317 8.522 8.618 1.00 0.41 O ATOM 343 CB ASN C1919 8.370 8.713 9.595 1.00 0.37 C ATOM 344 CG ASN C1919 9.204 9.802 10.253 1.00 0.43 C ATOM 345 OD1 ASN C1919 10.086 9.521 11.062 1.00 1.05 O ATOM 346 ND2 ASN C1919 8.925 11.052 9.921 1.00 1.15 N ATOM 0 H ASN C1919 7.670 6.584 8.392 1.00 0.31 H new ATOM 0 HA ASN C1919 9.020 9.034 7.568 1.00 0.33 H new ATOM 0 HB2 ASN C1919 7.367 9.096 9.404 1.00 0.37 H new ATOM 0 HB3 ASN C1919 8.265 7.876 10.285 1.00 0.37 H new ATOM 0 HD21 ASN C1919 9.449 11.820 10.340 1.00 1.15 H new ATOM 0 HD22 ASN C1919 8.186 11.248 9.246 1.00 1.15 H new ATOM 353 N LYS C1920 10.632 6.392 8.541 1.00 0.28 N ATOM 354 CA LYS C1920 11.973 5.870 8.763 1.00 0.37 C ATOM 355 C LYS C1920 12.674 5.716 7.436 1.00 0.41 C ATOM 356 O LYS C1920 13.895 5.852 7.340 1.00 0.53 O ATOM 357 CB LYS C1920 12.000 4.539 9.557 1.00 0.48 C ATOM 358 CG LYS C1920 10.777 3.627 9.416 1.00 0.33 C ATOM 359 CD LYS C1920 10.938 2.347 10.234 1.00 0.44 C ATOM 360 CE LYS C1920 11.186 2.630 11.707 1.00 1.36 C ATOM 361 NZ LYS C1920 11.254 1.375 12.509 1.00 1.64 N ATOM 0 H LYS C1920 9.910 5.682 8.422 1.00 0.28 H new ATOM 0 HA LYS C1920 12.500 6.592 9.387 1.00 0.37 H new ATOM 0 HB2 LYS C1920 12.881 3.977 9.248 1.00 0.48 H new ATOM 0 HB3 LYS C1920 12.128 4.776 10.613 1.00 0.48 H new ATOM 0 HG2 LYS C1920 9.884 4.160 9.744 1.00 0.33 H new ATOM 0 HG3 LYS C1920 10.630 3.373 8.366 1.00 0.33 H new ATOM 0 HD2 LYS C1920 10.041 1.737 10.130 1.00 0.44 H new ATOM 0 HD3 LYS C1920 11.768 1.765 9.834 1.00 0.44 H new ATOM 0 HE2 LYS C1920 12.118 3.183 11.819 1.00 1.36 H new ATOM 0 HE3 LYS C1920 10.390 3.266 12.094 1.00 1.36 H new ATOM 0 HZ1 LYS C1920 11.424 1.610 13.508 1.00 1.64 H new ATOM 0 HZ2 LYS C1920 10.355 0.859 12.423 1.00 1.64 H new ATOM 0 HZ3 LYS C1920 12.030 0.779 12.156 1.00 1.64 H new ATOM 375 N LEU C1921 11.887 5.471 6.401 1.00 0.38 N ATOM 376 CA LEU C1921 12.423 5.387 5.058 1.00 0.46 C ATOM 377 C LEU C1921 12.804 6.779 4.587 1.00 0.59 C ATOM 378 O LEU C1921 13.923 7.030 4.144 1.00 0.92 O ATOM 379 CB LEU C1921 11.401 4.773 4.088 1.00 0.44 C ATOM 380 CG LEU C1921 10.646 3.537 4.596 1.00 0.38 C ATOM 381 CD1 LEU C1921 9.991 2.796 3.448 1.00 0.40 C ATOM 382 CD2 LEU C1921 11.549 2.595 5.368 1.00 0.48 C ATOM 0 H LEU C1921 10.879 5.328 6.467 1.00 0.38 H new ATOM 0 HA LEU C1921 13.302 4.742 5.074 1.00 0.46 H new ATOM 0 HB2 LEU C1921 10.670 5.539 3.829 1.00 0.44 H new ATOM 0 HB3 LEU C1921 11.920 4.504 3.168 1.00 0.44 H new ATOM 0 HG LEU C1921 9.875 3.896 5.278 1.00 0.38 H new ATOM 0 HD11 LEU C1921 9.462 1.924 3.832 1.00 0.40 H new ATOM 0 HD12 LEU C1921 9.285 3.456 2.945 1.00 0.40 H new ATOM 0 HD13 LEU C1921 10.755 2.474 2.740 1.00 0.40 H new ATOM 0 HD21 LEU C1921 10.972 1.735 5.708 1.00 0.48 H new ATOM 0 HD22 LEU C1921 12.359 2.256 4.722 1.00 0.48 H new ATOM 0 HD23 LEU C1921 11.966 3.116 6.230 1.00 0.48 H new ATOM 394 N ARG C1922 11.873 7.691 4.744 1.00 0.49 N ATOM 395 CA ARG C1922 12.038 9.042 4.256 1.00 0.66 C ATOM 396 C ARG C1922 12.840 9.894 5.251 1.00 0.65 C ATOM 397 O ARG C1922 13.087 11.075 5.021 1.00 0.78 O ATOM 398 CB ARG C1922 10.649 9.625 3.988 1.00 0.87 C ATOM 399 CG ARG C1922 10.636 11.007 3.369 1.00 1.15 C ATOM 400 CD ARG C1922 11.546 11.106 2.155 1.00 1.07 C ATOM 401 NE ARG C1922 11.749 12.492 1.751 1.00 1.64 N ATOM 402 CZ ARG C1922 12.810 12.925 1.069 1.00 2.45 C ATOM 403 NH1 ARG C1922 13.737 12.067 0.656 1.00 2.92 N ATOM 404 NH2 ARG C1922 12.937 14.219 0.804 1.00 3.23 N ATOM 0 H ARG C1922 10.983 7.519 5.212 1.00 0.49 H new ATOM 0 HA ARG C1922 12.610 9.040 3.328 1.00 0.66 H new ATOM 0 HB2 ARG C1922 10.108 8.945 3.330 1.00 0.87 H new ATOM 0 HB3 ARG C1922 10.100 9.661 4.929 1.00 0.87 H new ATOM 0 HG2 ARG C1922 9.617 11.262 3.078 1.00 1.15 H new ATOM 0 HG3 ARG C1922 10.948 11.739 4.114 1.00 1.15 H new ATOM 0 HD2 ARG C1922 12.508 10.647 2.382 1.00 1.07 H new ATOM 0 HD3 ARG C1922 11.113 10.544 1.327 1.00 1.07 H new ATOM 0 HE ARG C1922 11.034 13.174 2.006 1.00 1.64 H new ATOM 0 HH11 ARG C1922 13.639 11.073 0.860 1.00 2.92 H new ATOM 0 HH12 ARG C1922 14.547 12.403 0.135 1.00 2.92 H new ATOM 0 HH21 ARG C1922 12.225 14.877 1.122 1.00 3.23 H new ATOM 0 HH22 ARG C1922 13.746 14.556 0.283 1.00 3.23 H new ATOM 461 N LEU C1926 17.869 5.697 5.307 1.00 0.64 N ATOM 462 CA LEU C1926 17.943 4.770 4.199 1.00 0.60 C ATOM 463 C LEU C1926 17.895 5.511 2.858 1.00 0.54 C ATOM 464 O LEU C1926 17.577 6.703 2.816 1.00 0.72 O ATOM 465 CB LEU C1926 16.859 3.695 4.313 1.00 0.93 C ATOM 466 CG LEU C1926 15.383 4.111 4.264 1.00 0.48 C ATOM 467 CD1 LEU C1926 14.944 4.498 2.854 1.00 0.56 C ATOM 468 CD2 LEU C1926 14.571 2.945 4.747 1.00 0.57 C ATOM 0 HA LEU C1926 18.904 4.257 4.241 1.00 0.60 H new ATOM 0 HB2 LEU C1926 17.024 2.977 3.510 1.00 0.93 H new ATOM 0 HB3 LEU C1926 17.020 3.166 5.252 1.00 0.93 H new ATOM 0 HG LEU C1926 15.236 4.989 4.893 1.00 0.48 H new ATOM 0 HD11 LEU C1926 13.893 4.785 2.866 1.00 0.56 H new ATOM 0 HD12 LEU C1926 15.545 5.337 2.503 1.00 0.56 H new ATOM 0 HD13 LEU C1926 15.080 3.649 2.185 1.00 0.56 H new ATOM 0 HD21 LEU C1926 13.513 3.205 4.726 1.00 0.57 H new ATOM 0 HD22 LEU C1926 14.747 2.086 4.099 1.00 0.57 H new ATOM 0 HD23 LEU C1926 14.863 2.696 5.767 1.00 0.57 H new ATOM 480 N PRO C1927 18.242 4.820 1.748 1.00 0.46 N ATOM 481 CA PRO C1927 18.372 5.443 0.417 1.00 0.55 C ATOM 482 C PRO C1927 17.050 5.809 -0.258 1.00 0.63 C ATOM 483 O PRO C1927 16.803 6.978 -0.566 1.00 1.12 O ATOM 484 CB PRO C1927 19.066 4.356 -0.406 1.00 0.54 C ATOM 485 CG PRO C1927 18.638 3.082 0.236 1.00 0.44 C ATOM 486 CD PRO C1927 18.571 3.379 1.704 1.00 0.41 C ATOM 0 HA PRO C1927 18.902 6.392 0.499 1.00 0.55 H new ATOM 0 HB2 PRO C1927 18.764 4.395 -1.453 1.00 0.54 H new ATOM 0 HB3 PRO C1927 20.150 4.469 -0.382 1.00 0.54 H new ATOM 0 HG2 PRO C1927 17.669 2.757 -0.144 1.00 0.44 H new ATOM 0 HG3 PRO C1927 19.347 2.280 0.029 1.00 0.44 H new ATOM 0 HD2 PRO C1927 17.810 2.778 2.201 1.00 0.41 H new ATOM 0 HD3 PRO C1927 19.518 3.168 2.200 1.00 0.41 H new ATOM 494 N PHE C1928 16.207 4.807 -0.486 1.00 0.30 N ATOM 495 CA PHE C1928 15.099 4.938 -1.419 1.00 0.27 C ATOM 496 C PHE C1928 13.996 5.816 -0.858 1.00 0.27 C ATOM 497 O PHE C1928 13.729 5.806 0.343 1.00 0.31 O ATOM 498 CB PHE C1928 14.574 3.548 -1.818 1.00 0.24 C ATOM 499 CG PHE C1928 13.291 3.120 -1.178 1.00 0.23 C ATOM 500 CD1 PHE C1928 12.145 3.825 -1.426 1.00 0.30 C ATOM 501 CD2 PHE C1928 13.231 2.028 -0.332 1.00 0.26 C ATOM 502 CE1 PHE C1928 10.955 3.451 -0.854 1.00 0.33 C ATOM 503 CE2 PHE C1928 12.057 1.648 0.234 1.00 0.29 C ATOM 504 CZ PHE C1928 10.955 2.309 0.021 1.00 0.27 C ATOM 0 H PHE C1928 16.272 3.894 -0.035 1.00 0.30 H new ATOM 0 HA PHE C1928 15.465 5.434 -2.318 1.00 0.27 H new ATOM 0 HB2 PHE C1928 14.441 3.529 -2.900 1.00 0.24 H new ATOM 0 HB3 PHE C1928 15.340 2.810 -1.578 1.00 0.24 H new ATOM 0 HD1 PHE C1928 12.177 4.685 -2.079 1.00 0.30 H new ATOM 0 HD2 PHE C1928 14.130 1.470 -0.119 1.00 0.26 H new ATOM 0 HE1 PHE C1928 10.045 3.998 -1.055 1.00 0.33 H new ATOM 0 HE2 PHE C1928 12.036 0.779 0.875 1.00 0.29 H new ATOM 0 HZ PHE C1928 10.039 1.999 0.502 1.00 0.27 H new ATOM 514 N VAL C1929 13.328 6.525 -1.765 1.00 0.25 N ATOM 515 CA VAL C1929 12.310 7.507 -1.423 1.00 0.25 C ATOM 516 C VAL C1929 11.463 7.814 -2.645 1.00 0.25 C ATOM 517 O VAL C1929 11.819 7.438 -3.755 1.00 0.27 O ATOM 518 CB VAL C1929 12.957 8.820 -0.981 1.00 0.29 C ATOM 519 CG1 VAL C1929 13.668 8.647 0.339 1.00 0.62 C ATOM 520 CG2 VAL C1929 13.927 9.250 -2.057 1.00 0.62 C ATOM 0 H VAL C1929 13.482 6.430 -2.769 1.00 0.25 H new ATOM 0 HA VAL C1929 11.704 7.093 -0.617 1.00 0.25 H new ATOM 0 HB VAL C1929 12.192 9.584 -0.841 1.00 0.29 H new ATOM 0 HG11 VAL C1929 14.121 9.593 0.635 1.00 0.62 H new ATOM 0 HG12 VAL C1929 12.953 8.334 1.099 1.00 0.62 H new ATOM 0 HG13 VAL C1929 14.445 7.889 0.237 1.00 0.62 H new ATOM 0 HG21 VAL C1929 14.403 10.186 -1.765 1.00 0.62 H new ATOM 0 HG22 VAL C1929 14.689 8.481 -2.188 1.00 0.62 H new ATOM 0 HG23 VAL C1929 13.390 9.393 -2.995 1.00 0.62 H new ATOM 530 N VAL C1930 10.371 8.524 -2.458 1.00 0.26 N ATOM 531 CA VAL C1930 9.575 8.955 -3.591 1.00 0.26 C ATOM 532 C VAL C1930 10.190 10.198 -4.226 1.00 0.29 C ATOM 533 O VAL C1930 10.479 11.177 -3.541 1.00 0.32 O ATOM 534 CB VAL C1930 8.116 9.259 -3.203 1.00 0.28 C ATOM 535 CG1 VAL C1930 7.313 9.712 -4.413 1.00 0.34 C ATOM 536 CG2 VAL C1930 7.473 8.042 -2.575 1.00 0.32 C ATOM 0 H VAL C1930 10.016 8.813 -1.546 1.00 0.26 H new ATOM 0 HA VAL C1930 9.570 8.130 -4.303 1.00 0.26 H new ATOM 0 HB VAL C1930 8.122 10.070 -2.475 1.00 0.28 H new ATOM 0 HG11 VAL C1930 6.286 9.920 -4.111 1.00 0.34 H new ATOM 0 HG12 VAL C1930 7.759 10.615 -4.828 1.00 0.34 H new ATOM 0 HG13 VAL C1930 7.317 8.925 -5.168 1.00 0.34 H new ATOM 0 HG21 VAL C1930 6.442 8.273 -2.306 1.00 0.32 H new ATOM 0 HG22 VAL C1930 7.486 7.216 -3.286 1.00 0.32 H new ATOM 0 HG23 VAL C1930 8.027 7.759 -1.680 1.00 0.32 H new ATOM 546 N PRO C1931 10.445 10.140 -5.536 1.00 0.34 N ATOM 547 CA PRO C1931 10.857 11.302 -6.325 1.00 0.42 C ATOM 548 C PRO C1931 9.833 12.437 -6.240 1.00 0.45 C ATOM 549 O PRO C1931 8.744 12.264 -5.694 1.00 0.45 O ATOM 550 CB PRO C1931 10.964 10.765 -7.760 1.00 0.56 C ATOM 551 CG PRO C1931 10.285 9.436 -7.748 1.00 0.48 C ATOM 552 CD PRO C1931 10.380 8.920 -6.343 1.00 0.36 C ATOM 0 HA PRO C1931 11.793 11.729 -5.964 1.00 0.42 H new ATOM 0 HB2 PRO C1931 10.486 11.442 -8.468 1.00 0.56 H new ATOM 0 HB3 PRO C1931 12.006 10.669 -8.065 1.00 0.56 H new ATOM 0 HG2 PRO C1931 9.244 9.530 -8.057 1.00 0.48 H new ATOM 0 HG3 PRO C1931 10.764 8.750 -8.446 1.00 0.48 H new ATOM 0 HD2 PRO C1931 9.516 8.310 -6.080 1.00 0.36 H new ATOM 0 HD3 PRO C1931 11.264 8.298 -6.202 1.00 0.36 H new ATOM 560 N ARG C1932 10.180 13.596 -6.792 1.00 0.54 N ATOM 561 CA ARG C1932 9.349 14.793 -6.660 1.00 0.70 C ATOM 562 C ARG C1932 8.003 14.621 -7.353 1.00 0.89 C ATOM 563 O ARG C1932 7.091 15.438 -7.205 1.00 1.79 O ATOM 564 CB ARG C1932 10.071 16.035 -7.203 1.00 0.83 C ATOM 565 CG ARG C1932 11.226 16.517 -6.331 1.00 1.53 C ATOM 566 CD ARG C1932 12.412 15.563 -6.361 1.00 2.00 C ATOM 567 NE ARG C1932 13.461 15.971 -5.430 1.00 2.79 N ATOM 568 CZ ARG C1932 14.654 15.382 -5.331 1.00 3.62 C ATOM 569 NH1 ARG C1932 14.977 14.370 -6.130 1.00 3.88 N ATOM 570 NH2 ARG C1932 15.528 15.816 -4.435 1.00 4.56 N ATOM 0 H ARG C1932 11.032 13.734 -7.336 1.00 0.54 H new ATOM 0 HA ARG C1932 9.166 14.938 -5.595 1.00 0.70 H new ATOM 0 HB2 ARG C1932 10.451 15.814 -8.200 1.00 0.83 H new ATOM 0 HB3 ARG C1932 9.348 16.844 -7.310 1.00 0.83 H new ATOM 0 HG2 ARG C1932 11.547 17.502 -6.669 1.00 1.53 H new ATOM 0 HG3 ARG C1932 10.880 16.630 -5.304 1.00 1.53 H new ATOM 0 HD2 ARG C1932 12.075 14.557 -6.111 1.00 2.00 H new ATOM 0 HD3 ARG C1932 12.819 15.521 -7.371 1.00 2.00 H new ATOM 0 HE ARG C1932 13.268 16.760 -4.813 1.00 2.79 H new ATOM 0 HH11 ARG C1932 14.310 14.037 -6.827 1.00 3.88 H new ATOM 0 HH12 ARG C1932 15.892 13.926 -6.047 1.00 3.88 H new ATOM 0 HH21 ARG C1932 15.288 16.597 -3.825 1.00 4.56 H new ATOM 0 HH22 ARG C1932 16.441 15.369 -4.355 1.00 4.56 H new ATOM 584 N ARG C1933 7.898 13.549 -8.104 1.00 0.74 N ATOM 585 CA ARG C1933 6.668 13.154 -8.752 1.00 0.76 C ATOM 586 C ARG C1933 6.669 11.652 -8.879 1.00 0.65 C ATOM 587 O ARG C1933 7.631 11.000 -8.483 1.00 0.69 O ATOM 588 CB ARG C1933 6.540 13.812 -10.131 1.00 0.95 C ATOM 589 CG ARG C1933 7.841 13.821 -10.927 1.00 1.66 C ATOM 590 CD ARG C1933 7.604 14.149 -12.392 1.00 1.80 C ATOM 591 NE ARG C1933 7.076 12.999 -13.126 1.00 2.56 N ATOM 592 CZ ARG C1933 5.833 12.906 -13.588 1.00 2.86 C ATOM 593 NH1 ARG C1933 4.999 13.934 -13.482 1.00 2.53 N ATOM 594 NH2 ARG C1933 5.433 11.790 -14.184 1.00 3.92 N ATOM 0 H ARG C1933 8.677 12.916 -8.285 1.00 0.74 H new ATOM 0 HA ARG C1933 5.815 13.481 -8.157 1.00 0.76 H new ATOM 0 HB2 ARG C1933 5.776 13.287 -10.705 1.00 0.95 H new ATOM 0 HB3 ARG C1933 6.195 14.838 -10.004 1.00 0.95 H new ATOM 0 HG2 ARG C1933 8.525 14.552 -10.497 1.00 1.66 H new ATOM 0 HG3 ARG C1933 8.323 12.847 -10.846 1.00 1.66 H new ATOM 0 HD2 ARG C1933 6.906 14.982 -12.470 1.00 1.80 H new ATOM 0 HD3 ARG C1933 8.539 14.473 -12.848 1.00 1.80 H new ATOM 0 HE ARG C1933 7.705 12.214 -13.295 1.00 2.56 H new ATOM 0 HH11 ARG C1933 5.311 14.801 -13.044 1.00 2.53 H new ATOM 0 HH12 ARG C1933 4.046 13.857 -13.838 1.00 2.53 H new ATOM 0 HH21 ARG C1933 6.079 11.007 -14.286 1.00 3.92 H new ATOM 0 HH22 ARG C1933 4.480 11.715 -14.540 1.00 3.92 H new ATOM 654 N ALA A 2 1.634 -2.229 -17.874 1.00 0.37 N ATOM 655 CA ALA A 2 2.329 -1.244 -17.066 1.00 0.33 C ATOM 656 C ALA A 2 3.323 -1.930 -16.142 1.00 0.30 C ATOM 657 O ALA A 2 3.263 -3.145 -15.970 1.00 0.39 O ATOM 658 CB ALA A 2 1.328 -0.431 -16.260 1.00 0.33 C ATOM 0 HA ALA A 2 2.877 -0.570 -17.724 1.00 0.33 H new ATOM 0 HB1 ALA A 2 1.859 0.305 -15.657 1.00 0.33 H new ATOM 0 HB2 ALA A 2 0.644 0.080 -16.938 1.00 0.33 H new ATOM 0 HB3 ALA A 2 0.762 -1.095 -15.607 1.00 0.33 H new ATOM 664 N CYS A 3 4.239 -1.161 -15.567 1.00 0.29 N ATOM 665 CA CYS A 3 5.151 -1.688 -14.578 1.00 0.27 C ATOM 666 C CYS A 3 4.381 -1.890 -13.287 1.00 0.22 C ATOM 667 O CYS A 3 4.017 -0.927 -12.613 1.00 0.21 O ATOM 668 CB CYS A 3 6.330 -0.737 -14.380 1.00 0.32 C ATOM 669 SG CYS A 3 7.229 -0.368 -15.904 1.00 0.43 S ATOM 0 H CYS A 3 4.365 -0.170 -15.773 1.00 0.29 H new ATOM 0 HA CYS A 3 5.561 -2.642 -14.909 1.00 0.27 H new ATOM 0 HB2 CYS A 3 5.965 0.195 -13.949 1.00 0.32 H new ATOM 0 HB3 CYS A 3 7.020 -1.173 -13.658 1.00 0.32 H new ATOM 0 HG CYS A 3 8.209 0.446 -15.644 1.00 0.43 H new ATOM 675 N PRO A 4 4.103 -3.152 -12.957 1.00 0.20 N ATOM 676 CA PRO A 4 3.162 -3.522 -11.891 1.00 0.18 C ATOM 677 C PRO A 4 3.406 -2.792 -10.577 1.00 0.16 C ATOM 678 O PRO A 4 2.562 -2.020 -10.126 1.00 0.16 O ATOM 679 CB PRO A 4 3.443 -5.011 -11.722 1.00 0.21 C ATOM 680 CG PRO A 4 3.844 -5.455 -13.081 1.00 0.24 C ATOM 681 CD PRO A 4 4.696 -4.342 -13.602 1.00 0.24 C ATOM 0 HA PRO A 4 2.135 -3.266 -12.150 1.00 0.18 H new ATOM 0 HB2 PRO A 4 4.235 -5.188 -10.994 1.00 0.21 H new ATOM 0 HB3 PRO A 4 2.561 -5.547 -11.371 1.00 0.21 H new ATOM 0 HG2 PRO A 4 4.396 -6.394 -13.045 1.00 0.24 H new ATOM 0 HG3 PRO A 4 2.975 -5.621 -13.717 1.00 0.24 H new ATOM 0 HD2 PRO A 4 5.743 -4.471 -13.329 1.00 0.24 H new ATOM 0 HD3 PRO A 4 4.656 -4.276 -14.689 1.00 0.24 H new ATOM 689 N LEU A 5 4.570 -3.010 -9.986 1.00 0.16 N ATOM 690 CA LEU A 5 4.863 -2.445 -8.679 1.00 0.17 C ATOM 691 C LEU A 5 5.038 -0.935 -8.794 1.00 0.19 C ATOM 692 O LEU A 5 4.733 -0.196 -7.865 1.00 0.24 O ATOM 693 CB LEU A 5 6.116 -3.102 -8.086 1.00 0.17 C ATOM 694 CG LEU A 5 6.066 -3.402 -6.580 1.00 0.18 C ATOM 695 CD1 LEU A 5 5.972 -2.126 -5.762 1.00 0.20 C ATOM 696 CD2 LEU A 5 4.898 -4.321 -6.253 1.00 0.20 C ATOM 0 H LEU A 5 5.322 -3.570 -10.387 1.00 0.16 H new ATOM 0 HA LEU A 5 4.028 -2.643 -8.007 1.00 0.17 H new ATOM 0 HB2 LEU A 5 6.299 -4.036 -8.617 1.00 0.17 H new ATOM 0 HB3 LEU A 5 6.970 -2.452 -8.280 1.00 0.17 H new ATOM 0 HG LEU A 5 6.996 -3.906 -6.316 1.00 0.18 H new ATOM 0 HD11 LEU A 5 5.939 -2.375 -4.701 1.00 0.20 H new ATOM 0 HD12 LEU A 5 6.843 -1.501 -5.961 1.00 0.20 H new ATOM 0 HD13 LEU A 5 5.067 -1.584 -6.036 1.00 0.20 H new ATOM 0 HD21 LEU A 5 4.881 -4.521 -5.182 1.00 0.20 H new ATOM 0 HD22 LEU A 5 3.964 -3.842 -6.548 1.00 0.20 H new ATOM 0 HD23 LEU A 5 5.011 -5.260 -6.795 1.00 0.20 H new ATOM 708 N GLU A 6 5.501 -0.485 -9.954 1.00 0.19 N ATOM 709 CA GLU A 6 5.654 0.938 -10.216 1.00 0.23 C ATOM 710 C GLU A 6 4.311 1.644 -10.103 1.00 0.21 C ATOM 711 O GLU A 6 4.174 2.651 -9.403 1.00 0.25 O ATOM 712 CB GLU A 6 6.263 1.154 -11.609 1.00 0.32 C ATOM 713 CG GLU A 6 6.387 2.611 -12.035 1.00 0.47 C ATOM 714 CD GLU A 6 5.265 3.051 -12.953 1.00 0.90 C ATOM 715 OE1 GLU A 6 5.309 2.712 -14.155 1.00 1.78 O ATOM 716 OE2 GLU A 6 4.337 3.745 -12.492 1.00 1.39 O ATOM 0 H GLU A 6 5.777 -1.088 -10.729 1.00 0.19 H new ATOM 0 HA GLU A 6 6.328 1.363 -9.472 1.00 0.23 H new ATOM 0 HB2 GLU A 6 7.253 0.698 -11.632 1.00 0.32 H new ATOM 0 HB3 GLU A 6 5.653 0.627 -12.342 1.00 0.32 H new ATOM 0 HG2 GLU A 6 6.395 3.245 -11.148 1.00 0.47 H new ATOM 0 HG3 GLU A 6 7.342 2.757 -12.540 1.00 0.47 H new ATOM 723 N LYS A 7 3.320 1.085 -10.780 1.00 0.18 N ATOM 724 CA LYS A 7 1.987 1.650 -10.785 1.00 0.20 C ATOM 725 C LYS A 7 1.343 1.571 -9.409 1.00 0.17 C ATOM 726 O LYS A 7 0.596 2.461 -9.039 1.00 0.19 O ATOM 727 CB LYS A 7 1.122 0.959 -11.843 1.00 0.26 C ATOM 728 CG LYS A 7 1.287 1.571 -13.222 1.00 0.41 C ATOM 729 CD LYS A 7 0.462 2.839 -13.357 1.00 0.90 C ATOM 730 CE LYS A 7 1.056 3.804 -14.363 1.00 0.83 C ATOM 731 NZ LYS A 7 2.168 4.593 -13.772 1.00 1.16 N ATOM 0 H LYS A 7 3.419 0.235 -11.335 1.00 0.18 H new ATOM 0 HA LYS A 7 2.067 2.706 -11.042 1.00 0.20 H new ATOM 0 HB2 LYS A 7 1.382 -0.099 -11.885 1.00 0.26 H new ATOM 0 HB3 LYS A 7 0.075 1.018 -11.546 1.00 0.26 H new ATOM 0 HG2 LYS A 7 2.338 1.796 -13.400 1.00 0.41 H new ATOM 0 HG3 LYS A 7 0.982 0.852 -13.982 1.00 0.41 H new ATOM 0 HD2 LYS A 7 -0.552 2.580 -13.660 1.00 0.90 H new ATOM 0 HD3 LYS A 7 0.389 3.328 -12.386 1.00 0.90 H new ATOM 0 HE2 LYS A 7 1.421 3.250 -15.228 1.00 0.83 H new ATOM 0 HE3 LYS A 7 0.280 4.480 -14.722 1.00 0.83 H new ATOM 0 HZ1 LYS A 7 2.639 5.143 -14.519 1.00 1.16 H new ATOM 0 HZ2 LYS A 7 1.790 5.241 -13.052 1.00 1.16 H new ATOM 0 HZ3 LYS A 7 2.855 3.948 -13.331 1.00 1.16 H new ATOM 745 N ALA A 8 1.662 0.530 -8.648 1.00 0.18 N ATOM 746 CA ALA A 8 1.087 0.337 -7.314 1.00 0.19 C ATOM 747 C ALA A 8 1.104 1.621 -6.481 1.00 0.17 C ATOM 748 O ALA A 8 0.083 2.012 -5.922 1.00 0.21 O ATOM 749 CB ALA A 8 1.818 -0.772 -6.576 1.00 0.20 C ATOM 0 H ALA A 8 2.318 -0.198 -8.930 1.00 0.18 H new ATOM 0 HA ALA A 8 0.044 0.053 -7.455 1.00 0.19 H new ATOM 0 HB1 ALA A 8 1.378 -0.902 -5.587 1.00 0.20 H new ATOM 0 HB2 ALA A 8 1.730 -1.702 -7.138 1.00 0.20 H new ATOM 0 HB3 ALA A 8 2.871 -0.508 -6.473 1.00 0.20 H new ATOM 755 N LEU A 9 2.253 2.282 -6.412 1.00 0.14 N ATOM 756 CA LEU A 9 2.371 3.512 -5.627 1.00 0.14 C ATOM 757 C LEU A 9 1.804 4.700 -6.393 1.00 0.13 C ATOM 758 O LEU A 9 1.110 5.546 -5.825 1.00 0.16 O ATOM 759 CB LEU A 9 3.830 3.806 -5.243 1.00 0.15 C ATOM 760 CG LEU A 9 4.581 2.675 -4.530 1.00 0.16 C ATOM 761 CD1 LEU A 9 3.679 1.982 -3.530 1.00 0.19 C ATOM 762 CD2 LEU A 9 5.139 1.673 -5.523 1.00 0.15 C ATOM 0 H LEU A 9 3.110 1.994 -6.884 1.00 0.14 H new ATOM 0 HA LEU A 9 1.796 3.360 -4.713 1.00 0.14 H new ATOM 0 HB2 LEU A 9 4.378 4.064 -6.149 1.00 0.15 H new ATOM 0 HB3 LEU A 9 3.845 4.686 -4.600 1.00 0.15 H new ATOM 0 HG LEU A 9 5.419 3.120 -3.993 1.00 0.16 H new ATOM 0 HD11 LEU A 9 4.231 1.183 -3.035 1.00 0.19 H new ATOM 0 HD12 LEU A 9 3.339 2.703 -2.786 1.00 0.19 H new ATOM 0 HD13 LEU A 9 2.817 1.561 -4.048 1.00 0.19 H new ATOM 0 HD21 LEU A 9 5.666 0.884 -4.987 1.00 0.15 H new ATOM 0 HD22 LEU A 9 4.322 1.238 -6.099 1.00 0.15 H new ATOM 0 HD23 LEU A 9 5.831 2.177 -6.198 1.00 0.15 H new ATOM 774 N ASP A 10 2.101 4.745 -7.685 1.00 0.14 N ATOM 775 CA ASP A 10 1.658 5.834 -8.553 1.00 0.15 C ATOM 776 C ASP A 10 0.139 5.952 -8.573 1.00 0.15 C ATOM 777 O ASP A 10 -0.415 7.041 -8.416 1.00 0.18 O ATOM 778 CB ASP A 10 2.186 5.605 -9.974 1.00 0.19 C ATOM 779 CG ASP A 10 1.519 6.492 -11.011 1.00 0.48 C ATOM 780 OD1 ASP A 10 1.724 7.716 -10.977 1.00 1.18 O ATOM 781 OD2 ASP A 10 0.796 5.960 -11.882 1.00 1.19 O ATOM 0 H ASP A 10 2.653 4.032 -8.162 1.00 0.14 H new ATOM 0 HA ASP A 10 2.057 6.768 -8.158 1.00 0.15 H new ATOM 0 HB2 ASP A 10 3.261 5.785 -9.989 1.00 0.19 H new ATOM 0 HB3 ASP A 10 2.034 4.561 -10.247 1.00 0.19 H new ATOM 786 N VAL A 11 -0.530 4.824 -8.736 1.00 0.16 N ATOM 787 CA VAL A 11 -1.974 4.810 -8.877 1.00 0.18 C ATOM 788 C VAL A 11 -2.670 5.111 -7.561 1.00 0.18 C ATOM 789 O VAL A 11 -3.809 5.569 -7.564 1.00 0.23 O ATOM 790 CB VAL A 11 -2.493 3.469 -9.418 1.00 0.20 C ATOM 791 CG1 VAL A 11 -1.761 3.103 -10.693 1.00 0.23 C ATOM 792 CG2 VAL A 11 -2.369 2.372 -8.373 1.00 0.18 C ATOM 0 H VAL A 11 -0.094 3.903 -8.774 1.00 0.16 H new ATOM 0 HA VAL A 11 -2.209 5.594 -9.597 1.00 0.18 H new ATOM 0 HB VAL A 11 -3.553 3.575 -9.650 1.00 0.20 H new ATOM 0 HG11 VAL A 11 -2.137 2.151 -11.068 1.00 0.23 H new ATOM 0 HG12 VAL A 11 -1.925 3.878 -11.442 1.00 0.23 H new ATOM 0 HG13 VAL A 11 -0.694 3.017 -10.488 1.00 0.23 H new ATOM 0 HG21 VAL A 11 -2.744 1.434 -8.784 1.00 0.18 H new ATOM 0 HG22 VAL A 11 -1.322 2.253 -8.093 1.00 0.18 H new ATOM 0 HG23 VAL A 11 -2.952 2.641 -7.492 1.00 0.18 H new ATOM 802 N MET A 12 -1.999 4.845 -6.439 1.00 0.16 N ATOM 803 CA MET A 12 -2.579 5.147 -5.135 1.00 0.20 C ATOM 804 C MET A 12 -2.949 6.610 -5.062 1.00 0.24 C ATOM 805 O MET A 12 -4.112 6.950 -4.893 1.00 0.40 O ATOM 806 CB MET A 12 -1.628 4.819 -3.983 1.00 0.25 C ATOM 807 CG MET A 12 -1.424 3.337 -3.745 1.00 0.17 C ATOM 808 SD MET A 12 -1.130 2.956 -2.008 1.00 0.72 S ATOM 809 CE MET A 12 -0.689 1.228 -2.121 1.00 0.19 C ATOM 0 H MET A 12 -1.069 4.428 -6.408 1.00 0.16 H new ATOM 0 HA MET A 12 -3.465 4.521 -5.029 1.00 0.20 H new ATOM 0 HB2 MET A 12 -0.661 5.279 -4.184 1.00 0.25 H new ATOM 0 HB3 MET A 12 -2.013 5.272 -3.069 1.00 0.25 H new ATOM 0 HG2 MET A 12 -2.302 2.792 -4.090 1.00 0.17 H new ATOM 0 HG3 MET A 12 -0.579 2.989 -4.339 1.00 0.17 H new ATOM 0 HE1 MET A 12 -0.736 0.775 -1.131 1.00 0.19 H new ATOM 0 HE2 MET A 12 -1.385 0.718 -2.787 1.00 0.19 H new ATOM 0 HE3 MET A 12 0.323 1.136 -2.514 1.00 0.19 H new ATOM 819 N VAL A 13 -1.957 7.472 -5.236 1.00 0.17 N ATOM 820 CA VAL A 13 -2.167 8.906 -5.113 1.00 0.19 C ATOM 821 C VAL A 13 -2.873 9.483 -6.340 1.00 0.20 C ATOM 822 O VAL A 13 -3.527 10.521 -6.251 1.00 0.28 O ATOM 823 CB VAL A 13 -0.844 9.659 -4.849 1.00 0.18 C ATOM 824 CG1 VAL A 13 -0.277 9.264 -3.498 1.00 0.21 C ATOM 825 CG2 VAL A 13 0.178 9.396 -5.938 1.00 0.19 C ATOM 0 H VAL A 13 -1.000 7.203 -5.463 1.00 0.17 H new ATOM 0 HA VAL A 13 -2.816 9.052 -4.250 1.00 0.19 H new ATOM 0 HB VAL A 13 -1.066 10.726 -4.850 1.00 0.18 H new ATOM 0 HG11 VAL A 13 0.655 9.801 -3.323 1.00 0.21 H new ATOM 0 HG12 VAL A 13 -0.993 9.516 -2.715 1.00 0.21 H new ATOM 0 HG13 VAL A 13 -0.086 8.191 -3.483 1.00 0.21 H new ATOM 0 HG21 VAL A 13 1.095 9.943 -5.717 1.00 0.19 H new ATOM 0 HG22 VAL A 13 0.394 8.329 -5.984 1.00 0.19 H new ATOM 0 HG23 VAL A 13 -0.219 9.727 -6.897 1.00 0.19 H new ATOM 835 N SER A 14 -2.763 8.802 -7.474 1.00 0.19 N ATOM 836 CA SER A 14 -3.452 9.234 -8.684 1.00 0.22 C ATOM 837 C SER A 14 -4.952 8.975 -8.566 1.00 0.24 C ATOM 838 O SER A 14 -5.760 9.888 -8.724 1.00 0.28 O ATOM 839 CB SER A 14 -2.884 8.519 -9.909 1.00 0.24 C ATOM 840 OG SER A 14 -1.505 8.811 -10.073 1.00 1.12 O ATOM 0 H SER A 14 -2.207 7.954 -7.581 1.00 0.19 H new ATOM 0 HA SER A 14 -3.294 10.306 -8.805 1.00 0.22 H new ATOM 0 HB2 SER A 14 -3.022 7.443 -9.803 1.00 0.24 H new ATOM 0 HB3 SER A 14 -3.433 8.824 -10.800 1.00 0.24 H new ATOM 0 HG SER A 14 -0.998 8.425 -9.328 1.00 1.12 H new ATOM 846 N THR A 15 -5.317 7.732 -8.263 1.00 0.25 N ATOM 847 CA THR A 15 -6.716 7.364 -8.083 1.00 0.28 C ATOM 848 C THR A 15 -7.283 8.079 -6.858 1.00 0.30 C ATOM 849 O THR A 15 -8.464 8.427 -6.807 1.00 0.33 O ATOM 850 CB THR A 15 -6.859 5.838 -7.913 1.00 0.28 C ATOM 851 OG1 THR A 15 -6.106 5.170 -8.937 1.00 0.34 O ATOM 852 CG2 THR A 15 -8.311 5.403 -7.999 1.00 0.26 C ATOM 0 H THR A 15 -4.660 6.962 -8.137 1.00 0.25 H new ATOM 0 HA THR A 15 -7.273 7.666 -8.970 1.00 0.28 H new ATOM 0 HB THR A 15 -6.479 5.571 -6.927 1.00 0.28 H new ATOM 0 HG1 THR A 15 -5.162 5.134 -8.678 1.00 0.34 H new ATOM 0 HG21 THR A 15 -8.375 4.322 -7.875 1.00 0.26 H new ATOM 0 HG22 THR A 15 -8.885 5.893 -7.212 1.00 0.26 H new ATOM 0 HG23 THR A 15 -8.717 5.681 -8.971 1.00 0.26 H new ATOM 860 N PHE A 16 -6.400 8.307 -5.894 1.00 0.31 N ATOM 861 CA PHE A 16 -6.703 9.041 -4.674 1.00 0.37 C ATOM 862 C PHE A 16 -7.421 10.352 -4.979 1.00 0.42 C ATOM 863 O PHE A 16 -8.585 10.523 -4.627 1.00 0.54 O ATOM 864 CB PHE A 16 -5.387 9.318 -3.943 1.00 0.45 C ATOM 865 CG PHE A 16 -5.512 9.926 -2.581 1.00 0.36 C ATOM 866 CD1 PHE A 16 -6.064 9.211 -1.537 1.00 1.24 C ATOM 867 CD2 PHE A 16 -5.040 11.203 -2.342 1.00 1.26 C ATOM 868 CE1 PHE A 16 -6.147 9.761 -0.275 1.00 1.39 C ATOM 869 CE2 PHE A 16 -5.125 11.758 -1.086 1.00 1.43 C ATOM 870 CZ PHE A 16 -5.680 11.036 -0.050 1.00 0.99 C ATOM 0 H PHE A 16 -5.435 7.980 -5.940 1.00 0.31 H new ATOM 0 HA PHE A 16 -7.368 8.444 -4.050 1.00 0.37 H new ATOM 0 HB2 PHE A 16 -4.840 8.380 -3.852 1.00 0.45 H new ATOM 0 HB3 PHE A 16 -4.782 9.981 -4.562 1.00 0.45 H new ATOM 0 HD1 PHE A 16 -6.434 8.211 -1.710 1.00 1.24 H new ATOM 0 HD2 PHE A 16 -4.600 11.770 -3.149 1.00 1.26 H new ATOM 0 HE1 PHE A 16 -6.578 9.192 0.536 1.00 1.39 H new ATOM 0 HE2 PHE A 16 -4.757 12.758 -0.911 1.00 1.43 H new ATOM 0 HZ PHE A 16 -5.748 11.471 0.936 1.00 0.99 H new ATOM 880 N HIS A 17 -6.730 11.257 -5.670 1.00 0.44 N ATOM 881 CA HIS A 17 -7.253 12.596 -5.924 1.00 0.54 C ATOM 882 C HIS A 17 -8.475 12.572 -6.837 1.00 0.47 C ATOM 883 O HIS A 17 -9.290 13.493 -6.804 1.00 0.52 O ATOM 884 CB HIS A 17 -6.174 13.494 -6.536 1.00 0.72 C ATOM 885 CG HIS A 17 -4.990 13.716 -5.646 1.00 1.09 C ATOM 886 ND1 HIS A 17 -5.099 14.129 -4.337 1.00 2.16 N ATOM 887 CD2 HIS A 17 -3.666 13.579 -5.887 1.00 1.23 C ATOM 888 CE1 HIS A 17 -3.897 14.238 -3.816 1.00 2.80 C ATOM 889 NE2 HIS A 17 -3.007 13.910 -4.731 1.00 2.27 N ATOM 0 H HIS A 17 -5.805 11.086 -6.064 1.00 0.44 H new ATOM 0 HA HIS A 17 -7.559 13.002 -4.960 1.00 0.54 H new ATOM 0 HB2 HIS A 17 -5.834 13.050 -7.472 1.00 0.72 H new ATOM 0 HB3 HIS A 17 -6.616 14.459 -6.783 1.00 0.72 H new ATOM 0 HD2 HIS A 17 -3.213 13.267 -6.816 1.00 1.23 H new ATOM 0 HE1 HIS A 17 -3.675 14.546 -2.805 1.00 2.80 H new ATOM 0 HE2 HIS A 17 -1.995 13.903 -4.601 1.00 2.27 H new ATOM 898 N LYS A 18 -8.602 11.522 -7.644 1.00 0.43 N ATOM 899 CA LYS A 18 -9.716 11.410 -8.583 1.00 0.46 C ATOM 900 C LYS A 18 -11.053 11.387 -7.854 1.00 0.44 C ATOM 901 O LYS A 18 -11.946 12.179 -8.147 1.00 0.62 O ATOM 902 CB LYS A 18 -9.607 10.138 -9.423 1.00 0.55 C ATOM 903 CG LYS A 18 -8.361 10.040 -10.280 1.00 0.77 C ATOM 904 CD LYS A 18 -8.397 8.777 -11.121 1.00 0.73 C ATOM 905 CE LYS A 18 -7.114 8.582 -11.903 1.00 1.41 C ATOM 906 NZ LYS A 18 -7.177 7.364 -12.755 1.00 1.69 N ATOM 0 H LYS A 18 -7.950 10.738 -7.667 1.00 0.43 H new ATOM 0 HA LYS A 18 -9.666 12.285 -9.232 1.00 0.46 H new ATOM 0 HB2 LYS A 18 -9.639 9.277 -8.756 1.00 0.55 H new ATOM 0 HB3 LYS A 18 -10.481 10.073 -10.071 1.00 0.55 H new ATOM 0 HG2 LYS A 18 -8.287 10.914 -10.927 1.00 0.77 H new ATOM 0 HG3 LYS A 18 -7.475 10.037 -9.646 1.00 0.77 H new ATOM 0 HD2 LYS A 18 -8.563 7.915 -10.475 1.00 0.73 H new ATOM 0 HD3 LYS A 18 -9.239 8.824 -11.811 1.00 0.73 H new ATOM 0 HE2 LYS A 18 -6.931 9.456 -12.528 1.00 1.41 H new ATOM 0 HE3 LYS A 18 -6.274 8.502 -11.213 1.00 1.41 H new ATOM 0 HZ1 LYS A 18 -6.284 7.259 -13.277 1.00 1.69 H new ATOM 0 HZ2 LYS A 18 -7.328 6.528 -12.155 1.00 1.69 H new ATOM 0 HZ3 LYS A 18 -7.964 7.452 -13.429 1.00 1.69 H new ATOM 920 N TYR A 19 -11.176 10.474 -6.902 1.00 0.37 N ATOM 921 CA TYR A 19 -12.460 10.211 -6.269 1.00 0.41 C ATOM 922 C TYR A 19 -12.637 11.001 -4.976 1.00 0.48 C ATOM 923 O TYR A 19 -13.760 11.239 -4.554 1.00 0.73 O ATOM 924 CB TYR A 19 -12.624 8.712 -6.006 1.00 0.43 C ATOM 925 CG TYR A 19 -12.574 7.870 -7.264 1.00 0.38 C ATOM 926 CD1 TYR A 19 -11.365 7.417 -7.768 1.00 1.14 C ATOM 927 CD2 TYR A 19 -13.736 7.525 -7.942 1.00 1.18 C ATOM 928 CE1 TYR A 19 -11.311 6.646 -8.912 1.00 1.14 C ATOM 929 CE2 TYR A 19 -13.689 6.749 -9.089 1.00 1.21 C ATOM 930 CZ TYR A 19 -12.471 6.312 -9.569 1.00 0.48 C ATOM 931 OH TYR A 19 -12.409 5.536 -10.705 1.00 0.59 O ATOM 0 H TYR A 19 -10.406 9.905 -6.552 1.00 0.37 H new ATOM 0 HA TYR A 19 -13.237 10.542 -6.958 1.00 0.41 H new ATOM 0 HB2 TYR A 19 -11.839 8.382 -5.326 1.00 0.43 H new ATOM 0 HB3 TYR A 19 -13.575 8.541 -5.501 1.00 0.43 H new ATOM 0 HD1 TYR A 19 -10.449 7.672 -7.257 1.00 1.14 H new ATOM 0 HD2 TYR A 19 -14.690 7.867 -7.570 1.00 1.18 H new ATOM 0 HE1 TYR A 19 -10.358 6.306 -9.290 1.00 1.14 H new ATOM 0 HE2 TYR A 19 -14.601 6.487 -9.605 1.00 1.21 H new ATOM 0 HH TYR A 19 -11.682 4.885 -10.617 1.00 0.59 H new ATOM 941 N SER A 20 -11.538 11.404 -4.351 1.00 0.38 N ATOM 942 CA SER A 20 -11.619 12.203 -3.129 1.00 0.45 C ATOM 943 C SER A 20 -12.002 13.638 -3.468 1.00 0.54 C ATOM 944 O SER A 20 -12.890 14.222 -2.847 1.00 0.68 O ATOM 945 CB SER A 20 -10.288 12.167 -2.377 1.00 0.47 C ATOM 946 OG SER A 20 -9.227 12.560 -3.225 1.00 0.52 O ATOM 0 H SER A 20 -10.590 11.195 -4.663 1.00 0.38 H new ATOM 0 HA SER A 20 -12.388 11.779 -2.483 1.00 0.45 H new ATOM 0 HB2 SER A 20 -10.334 12.829 -1.513 1.00 0.47 H new ATOM 0 HB3 SER A 20 -10.105 11.161 -1.999 1.00 0.47 H new ATOM 0 HG SER A 20 -8.806 11.764 -3.612 1.00 0.52 H new ATOM 952 N GLY A 21 -11.350 14.190 -4.489 1.00 0.54 N ATOM 953 CA GLY A 21 -11.656 15.535 -4.938 1.00 0.65 C ATOM 954 C GLY A 21 -12.916 15.576 -5.778 1.00 0.68 C ATOM 955 O GLY A 21 -12.983 16.276 -6.791 1.00 0.82 O ATOM 0 H GLY A 21 -10.611 13.724 -5.015 1.00 0.54 H new ATOM 0 HA2 GLY A 21 -11.774 16.188 -4.074 1.00 0.65 H new ATOM 0 HA3 GLY A 21 -10.819 15.923 -5.519 1.00 0.65 H new ATOM 1057 N LYS A 28 -9.321 13.484 1.247 1.00 0.67 N ATOM 1058 CA LYS A 28 -10.282 12.825 2.109 1.00 0.64 C ATOM 1059 C LYS A 28 -11.314 12.075 1.293 1.00 0.48 C ATOM 1060 O LYS A 28 -12.061 12.665 0.515 1.00 0.54 O ATOM 1061 CB LYS A 28 -11.001 13.840 2.999 1.00 0.87 C ATOM 1062 CG LYS A 28 -10.128 14.448 4.075 1.00 1.00 C ATOM 1063 CD LYS A 28 -9.582 13.370 4.980 1.00 1.04 C ATOM 1064 CE LYS A 28 -9.106 13.940 6.301 1.00 1.55 C ATOM 1065 NZ LYS A 28 -7.940 14.848 6.154 1.00 2.03 N ATOM 0 HA LYS A 28 -9.730 12.121 2.732 1.00 0.64 H new ATOM 0 HB2 LYS A 28 -11.397 14.640 2.373 1.00 0.87 H new ATOM 0 HB3 LYS A 28 -11.854 13.353 3.471 1.00 0.87 H new ATOM 0 HG2 LYS A 28 -9.306 14.999 3.618 1.00 1.00 H new ATOM 0 HG3 LYS A 28 -10.705 15.164 4.659 1.00 1.00 H new ATOM 0 HD2 LYS A 28 -10.353 12.622 5.163 1.00 1.04 H new ATOM 0 HD3 LYS A 28 -8.756 12.861 4.484 1.00 1.04 H new ATOM 0 HE2 LYS A 28 -9.925 14.483 6.773 1.00 1.55 H new ATOM 0 HE3 LYS A 28 -8.840 13.121 6.969 1.00 1.55 H new ATOM 0 HZ1 LYS A 28 -7.733 15.298 7.068 1.00 2.03 H new ATOM 0 HZ2 LYS A 28 -7.112 14.302 5.842 1.00 2.03 H new ATOM 0 HZ3 LYS A 28 -8.157 15.581 5.448 1.00 2.03 H new ATOM 1079 N LEU A 29 -11.366 10.777 1.486 1.00 0.36 N ATOM 1080 CA LEU A 29 -12.376 9.965 0.837 1.00 0.32 C ATOM 1081 C LEU A 29 -13.402 9.492 1.846 1.00 0.34 C ATOM 1082 O LEU A 29 -13.114 8.640 2.689 1.00 0.40 O ATOM 1083 CB LEU A 29 -11.764 8.757 0.126 1.00 0.30 C ATOM 1084 CG LEU A 29 -10.877 9.076 -1.075 1.00 0.30 C ATOM 1085 CD1 LEU A 29 -9.432 9.267 -0.641 1.00 0.32 C ATOM 1086 CD2 LEU A 29 -10.994 7.979 -2.118 1.00 0.33 C ATOM 0 H LEU A 29 -10.723 10.259 2.085 1.00 0.36 H new ATOM 0 HA LEU A 29 -12.861 10.591 0.087 1.00 0.32 H new ATOM 0 HB2 LEU A 29 -11.176 8.192 0.849 1.00 0.30 H new ATOM 0 HB3 LEU A 29 -12.573 8.105 -0.205 1.00 0.30 H new ATOM 0 HG LEU A 29 -11.216 10.011 -1.522 1.00 0.30 H new ATOM 0 HD11 LEU A 29 -8.817 9.493 -1.512 1.00 0.32 H new ATOM 0 HD12 LEU A 29 -9.371 10.091 0.070 1.00 0.32 H new ATOM 0 HD13 LEU A 29 -9.070 8.354 -0.169 1.00 0.32 H new ATOM 0 HD21 LEU A 29 -10.357 8.217 -2.970 1.00 0.33 H new ATOM 0 HD22 LEU A 29 -10.680 7.030 -1.684 1.00 0.33 H new ATOM 0 HD23 LEU A 29 -12.029 7.901 -2.450 1.00 0.33 H new ATOM 1098 N ASN A 30 -14.591 10.068 1.784 1.00 0.35 N ATOM 1099 CA ASN A 30 -15.690 9.593 2.604 1.00 0.35 C ATOM 1100 C ASN A 30 -16.325 8.382 1.935 1.00 0.31 C ATOM 1101 O ASN A 30 -15.812 7.885 0.927 1.00 0.29 O ATOM 1102 CB ASN A 30 -16.739 10.692 2.846 1.00 0.41 C ATOM 1103 CG ASN A 30 -17.519 11.070 1.602 1.00 0.62 C ATOM 1104 OD1 ASN A 30 -18.538 10.455 1.286 1.00 1.20 O ATOM 1105 ND2 ASN A 30 -17.062 12.096 0.905 1.00 0.63 N ATOM 0 H ASN A 30 -14.818 10.858 1.180 1.00 0.35 H new ATOM 0 HA ASN A 30 -15.296 9.309 3.580 1.00 0.35 H new ATOM 0 HB2 ASN A 30 -17.436 10.355 3.613 1.00 0.41 H new ATOM 0 HB3 ASN A 30 -16.240 11.579 3.236 1.00 0.41 H new ATOM 0 HD21 ASN A 30 -17.558 12.406 0.070 1.00 0.63 H new ATOM 0 HD22 ASN A 30 -16.213 12.577 1.203 1.00 0.63 H new ATOM 1112 N LYS A 31 -17.428 7.919 2.502 1.00 0.32 N ATOM 1113 CA LYS A 31 -18.125 6.720 2.029 1.00 0.31 C ATOM 1114 C LYS A 31 -18.281 6.683 0.504 1.00 0.30 C ATOM 1115 O LYS A 31 -17.856 5.725 -0.140 1.00 0.31 O ATOM 1116 CB LYS A 31 -19.504 6.635 2.683 1.00 0.35 C ATOM 1117 CG LYS A 31 -19.458 6.582 4.201 1.00 0.45 C ATOM 1118 CD LYS A 31 -20.855 6.637 4.795 1.00 0.56 C ATOM 1119 CE LYS A 31 -20.827 6.526 6.309 1.00 1.22 C ATOM 1120 NZ LYS A 31 -22.162 6.795 6.904 1.00 1.70 N ATOM 0 H LYS A 31 -17.871 8.362 3.307 1.00 0.32 H new ATOM 0 HA LYS A 31 -17.513 5.864 2.312 1.00 0.31 H new ATOM 0 HB2 LYS A 31 -20.096 7.498 2.376 1.00 0.35 H new ATOM 0 HB3 LYS A 31 -20.018 5.748 2.313 1.00 0.35 H new ATOM 0 HG2 LYS A 31 -18.960 5.667 4.521 1.00 0.45 H new ATOM 0 HG3 LYS A 31 -18.866 7.416 4.579 1.00 0.45 H new ATOM 0 HD2 LYS A 31 -21.336 7.572 4.508 1.00 0.56 H new ATOM 0 HD3 LYS A 31 -21.458 5.828 4.382 1.00 0.56 H new ATOM 0 HE2 LYS A 31 -20.496 5.528 6.595 1.00 1.22 H new ATOM 0 HE3 LYS A 31 -20.100 7.231 6.712 1.00 1.22 H new ATOM 0 HZ1 LYS A 31 -22.104 6.710 7.939 1.00 1.70 H new ATOM 0 HZ2 LYS A 31 -22.467 7.757 6.652 1.00 1.70 H new ATOM 0 HZ3 LYS A 31 -22.850 6.107 6.538 1.00 1.70 H new ATOM 1134 N SER A 32 -18.863 7.729 -0.071 1.00 0.32 N ATOM 1135 CA SER A 32 -19.198 7.734 -1.493 1.00 0.34 C ATOM 1136 C SER A 32 -17.955 7.823 -2.381 1.00 0.31 C ATOM 1137 O SER A 32 -17.950 7.313 -3.507 1.00 0.34 O ATOM 1138 CB SER A 32 -20.144 8.894 -1.797 1.00 0.43 C ATOM 1139 OG SER A 32 -19.647 10.111 -1.262 1.00 1.29 O ATOM 0 H SER A 32 -19.113 8.585 0.424 1.00 0.32 H new ATOM 0 HA SER A 32 -19.689 6.787 -1.719 1.00 0.34 H new ATOM 0 HB2 SER A 32 -20.270 8.992 -2.875 1.00 0.43 H new ATOM 0 HB3 SER A 32 -21.128 8.684 -1.379 1.00 0.43 H new ATOM 0 HG SER A 32 -18.794 10.333 -1.691 1.00 1.29 H new ATOM 1145 N GLU A 33 -16.898 8.445 -1.871 1.00 0.30 N ATOM 1146 CA GLU A 33 -15.691 8.654 -2.659 1.00 0.31 C ATOM 1147 C GLU A 33 -14.953 7.335 -2.784 1.00 0.26 C ATOM 1148 O GLU A 33 -14.554 6.925 -3.876 1.00 0.27 O ATOM 1149 CB GLU A 33 -14.780 9.695 -2.001 1.00 0.37 C ATOM 1150 CG GLU A 33 -15.507 10.902 -1.416 1.00 0.51 C ATOM 1151 CD GLU A 33 -16.409 11.627 -2.399 1.00 0.88 C ATOM 1152 OE1 GLU A 33 -17.567 11.190 -2.581 1.00 1.68 O ATOM 1153 OE2 GLU A 33 -15.981 12.656 -2.961 1.00 1.46 O ATOM 0 H GLU A 33 -16.853 8.811 -0.920 1.00 0.30 H new ATOM 0 HA GLU A 33 -15.971 9.024 -3.645 1.00 0.31 H new ATOM 0 HB2 GLU A 33 -14.212 9.210 -1.207 1.00 0.37 H new ATOM 0 HB3 GLU A 33 -14.059 10.045 -2.740 1.00 0.37 H new ATOM 0 HG2 GLU A 33 -16.106 10.574 -0.566 1.00 0.51 H new ATOM 0 HG3 GLU A 33 -14.768 11.605 -1.033 1.00 0.51 H new ATOM 1160 N LEU A 34 -14.794 6.666 -1.648 1.00 0.23 N ATOM 1161 CA LEU A 34 -14.216 5.336 -1.619 1.00 0.20 C ATOM 1162 C LEU A 34 -15.074 4.374 -2.413 1.00 0.20 C ATOM 1163 O LEU A 34 -14.558 3.556 -3.170 1.00 0.23 O ATOM 1164 CB LEU A 34 -14.083 4.841 -0.181 1.00 0.18 C ATOM 1165 CG LEU A 34 -12.842 5.325 0.554 1.00 0.18 C ATOM 1166 CD1 LEU A 34 -12.950 5.000 2.029 1.00 0.21 C ATOM 1167 CD2 LEU A 34 -11.603 4.686 -0.046 1.00 0.18 C ATOM 0 H LEU A 34 -15.060 7.029 -0.733 1.00 0.23 H new ATOM 0 HA LEU A 34 -13.224 5.384 -2.068 1.00 0.20 H new ATOM 0 HB2 LEU A 34 -14.964 5.156 0.378 1.00 0.18 H new ATOM 0 HB3 LEU A 34 -14.081 3.751 -0.187 1.00 0.18 H new ATOM 0 HG LEU A 34 -12.762 6.407 0.446 1.00 0.18 H new ATOM 0 HD11 LEU A 34 -12.056 5.351 2.545 1.00 0.21 H new ATOM 0 HD12 LEU A 34 -13.828 5.493 2.447 1.00 0.21 H new ATOM 0 HD13 LEU A 34 -13.044 3.922 2.158 1.00 0.21 H new ATOM 0 HD21 LEU A 34 -10.719 5.037 0.486 1.00 0.18 H new ATOM 0 HD22 LEU A 34 -11.673 3.602 0.043 1.00 0.18 H new ATOM 0 HD23 LEU A 34 -11.526 4.959 -1.098 1.00 0.18 H new ATOM 1179 N LYS A 35 -16.387 4.491 -2.239 1.00 0.23 N ATOM 1180 CA LYS A 35 -17.338 3.667 -2.949 1.00 0.29 C ATOM 1181 C LYS A 35 -17.046 3.642 -4.435 1.00 0.25 C ATOM 1182 O LYS A 35 -16.772 2.587 -4.994 1.00 0.27 O ATOM 1183 CB LYS A 35 -18.747 4.186 -2.702 1.00 0.42 C ATOM 1184 CG LYS A 35 -19.822 3.329 -3.323 1.00 0.60 C ATOM 1185 CD LYS A 35 -21.197 3.816 -2.932 1.00 0.71 C ATOM 1186 CE LYS A 35 -22.230 2.757 -3.212 1.00 0.53 C ATOM 1187 NZ LYS A 35 -23.593 3.193 -2.817 1.00 0.89 N ATOM 0 H LYS A 35 -16.814 5.162 -1.600 1.00 0.23 H new ATOM 0 HA LYS A 35 -17.253 2.646 -2.576 1.00 0.29 H new ATOM 0 HB2 LYS A 35 -18.919 4.249 -1.628 1.00 0.42 H new ATOM 0 HB3 LYS A 35 -18.827 5.199 -3.097 1.00 0.42 H new ATOM 0 HG2 LYS A 35 -19.722 3.344 -4.408 1.00 0.60 H new ATOM 0 HG3 LYS A 35 -19.695 2.294 -3.006 1.00 0.60 H new ATOM 0 HD2 LYS A 35 -21.210 4.075 -1.873 1.00 0.71 H new ATOM 0 HD3 LYS A 35 -21.439 4.724 -3.485 1.00 0.71 H new ATOM 0 HE2 LYS A 35 -22.221 2.513 -4.274 1.00 0.53 H new ATOM 0 HE3 LYS A 35 -21.970 1.846 -2.673 1.00 0.53 H new ATOM 0 HZ1 LYS A 35 -24.248 2.388 -2.882 1.00 0.89 H new ATOM 0 HZ2 LYS A 35 -23.575 3.546 -1.839 1.00 0.89 H new ATOM 0 HZ3 LYS A 35 -23.913 3.952 -3.453 1.00 0.89 H new ATOM 1201 N GLU A 36 -17.071 4.808 -5.063 1.00 0.25 N ATOM 1202 CA GLU A 36 -16.881 4.884 -6.500 1.00 0.28 C ATOM 1203 C GLU A 36 -15.504 4.356 -6.885 1.00 0.28 C ATOM 1204 O GLU A 36 -15.354 3.661 -7.889 1.00 0.34 O ATOM 1205 CB GLU A 36 -17.053 6.314 -6.996 1.00 0.32 C ATOM 1206 CG GLU A 36 -17.289 6.380 -8.490 1.00 0.66 C ATOM 1207 CD GLU A 36 -17.502 7.786 -8.995 1.00 0.77 C ATOM 1208 OE1 GLU A 36 -18.557 8.374 -8.688 1.00 1.28 O ATOM 1209 OE2 GLU A 36 -16.625 8.300 -9.719 1.00 1.49 O ATOM 0 H GLU A 36 -17.220 5.706 -4.603 1.00 0.25 H new ATOM 0 HA GLU A 36 -17.640 4.262 -6.974 1.00 0.28 H new ATOM 0 HB2 GLU A 36 -17.892 6.778 -6.477 1.00 0.32 H new ATOM 0 HB3 GLU A 36 -16.164 6.893 -6.745 1.00 0.32 H new ATOM 0 HG2 GLU A 36 -16.435 5.941 -9.006 1.00 0.66 H new ATOM 0 HG3 GLU A 36 -18.160 5.774 -8.741 1.00 0.66 H new ATOM 1216 N LEU A 37 -14.513 4.672 -6.067 1.00 0.25 N ATOM 1217 CA LEU A 37 -13.153 4.196 -6.278 1.00 0.27 C ATOM 1218 C LEU A 37 -13.130 2.671 -6.330 1.00 0.23 C ATOM 1219 O LEU A 37 -12.621 2.077 -7.284 1.00 0.24 O ATOM 1220 CB LEU A 37 -12.258 4.718 -5.153 1.00 0.32 C ATOM 1221 CG LEU A 37 -10.756 4.648 -5.413 1.00 0.40 C ATOM 1222 CD1 LEU A 37 -10.075 5.865 -4.813 1.00 0.33 C ATOM 1223 CD2 LEU A 37 -10.168 3.377 -4.825 1.00 0.74 C ATOM 0 H LEU A 37 -14.626 5.262 -5.243 1.00 0.25 H new ATOM 0 HA LEU A 37 -12.777 4.569 -7.231 1.00 0.27 H new ATOM 0 HB2 LEU A 37 -12.525 5.756 -4.954 1.00 0.32 H new ATOM 0 HB3 LEU A 37 -12.478 4.153 -4.247 1.00 0.32 H new ATOM 0 HG LEU A 37 -10.588 4.636 -6.490 1.00 0.40 H new ATOM 0 HD11 LEU A 37 -9.003 5.811 -5.001 1.00 0.33 H new ATOM 0 HD12 LEU A 37 -10.478 6.769 -5.269 1.00 0.33 H new ATOM 0 HD13 LEU A 37 -10.254 5.889 -3.738 1.00 0.33 H new ATOM 0 HD21 LEU A 37 -9.096 3.347 -5.022 1.00 0.74 H new ATOM 0 HD22 LEU A 37 -10.340 3.360 -3.749 1.00 0.74 H new ATOM 0 HD23 LEU A 37 -10.645 2.510 -5.282 1.00 0.74 H new ATOM 1235 N LEU A 38 -13.722 2.048 -5.319 1.00 0.20 N ATOM 1236 CA LEU A 38 -13.793 0.598 -5.247 1.00 0.20 C ATOM 1237 C LEU A 38 -14.665 0.028 -6.359 1.00 0.22 C ATOM 1238 O LEU A 38 -14.322 -0.975 -6.961 1.00 0.24 O ATOM 1239 CB LEU A 38 -14.313 0.151 -3.877 1.00 0.19 C ATOM 1240 CG LEU A 38 -13.262 0.102 -2.764 1.00 0.18 C ATOM 1241 CD1 LEU A 38 -13.612 1.067 -1.644 1.00 0.19 C ATOM 1242 CD2 LEU A 38 -13.132 -1.312 -2.219 1.00 0.21 C ATOM 0 H LEU A 38 -14.162 2.529 -4.534 1.00 0.20 H new ATOM 0 HA LEU A 38 -12.783 0.210 -5.381 1.00 0.20 H new ATOM 0 HB2 LEU A 38 -15.111 0.827 -3.571 1.00 0.19 H new ATOM 0 HB3 LEU A 38 -14.756 -0.840 -3.980 1.00 0.19 H new ATOM 0 HG LEU A 38 -12.305 0.404 -3.189 1.00 0.18 H new ATOM 0 HD11 LEU A 38 -12.850 1.013 -0.866 1.00 0.19 H new ATOM 0 HD12 LEU A 38 -13.656 2.082 -2.039 1.00 0.19 H new ATOM 0 HD13 LEU A 38 -14.581 0.799 -1.222 1.00 0.19 H new ATOM 0 HD21 LEU A 38 -12.381 -1.330 -1.429 1.00 0.21 H new ATOM 0 HD22 LEU A 38 -14.091 -1.636 -1.815 1.00 0.21 H new ATOM 0 HD23 LEU A 38 -12.830 -1.985 -3.022 1.00 0.21 H new ATOM 1254 N THR A 39 -15.783 0.674 -6.647 1.00 0.23 N ATOM 1255 CA THR A 39 -16.705 0.176 -7.675 1.00 0.26 C ATOM 1256 C THR A 39 -16.037 0.139 -9.046 1.00 0.27 C ATOM 1257 O THR A 39 -16.371 -0.696 -9.889 1.00 0.30 O ATOM 1258 CB THR A 39 -17.996 1.019 -7.783 1.00 0.29 C ATOM 1259 OG1 THR A 39 -17.690 2.376 -8.134 1.00 0.33 O ATOM 1260 CG2 THR A 39 -18.784 0.999 -6.485 1.00 0.30 C ATOM 0 H THR A 39 -16.079 1.538 -6.192 1.00 0.23 H new ATOM 0 HA THR A 39 -16.975 -0.832 -7.361 1.00 0.26 H new ATOM 0 HB THR A 39 -18.607 0.572 -8.567 1.00 0.29 H new ATOM 0 HG1 THR A 39 -16.720 2.513 -8.095 1.00 0.33 H new ATOM 0 HG21 THR A 39 -19.685 1.602 -6.597 1.00 0.30 H new ATOM 0 HG22 THR A 39 -19.062 -0.027 -6.244 1.00 0.30 H new ATOM 0 HG23 THR A 39 -18.172 1.408 -5.681 1.00 0.30 H new ATOM 1268 N ARG A 40 -15.091 1.043 -9.254 1.00 0.27 N ATOM 1269 CA ARG A 40 -14.444 1.183 -10.546 1.00 0.30 C ATOM 1270 C ARG A 40 -13.242 0.259 -10.680 1.00 0.29 C ATOM 1271 O ARG A 40 -13.245 -0.651 -11.511 1.00 0.33 O ATOM 1272 CB ARG A 40 -14.021 2.634 -10.769 1.00 0.34 C ATOM 1273 CG ARG A 40 -15.189 3.572 -11.023 1.00 0.36 C ATOM 1274 CD ARG A 40 -15.975 3.155 -12.254 1.00 0.47 C ATOM 1275 NE ARG A 40 -15.140 3.129 -13.454 1.00 0.67 N ATOM 1276 CZ ARG A 40 -15.419 2.418 -14.545 1.00 0.90 C ATOM 1277 NH1 ARG A 40 -16.499 1.648 -14.585 1.00 1.24 N ATOM 1278 NH2 ARG A 40 -14.605 2.470 -15.592 1.00 1.09 N ATOM 0 H ARG A 40 -14.755 1.691 -8.541 1.00 0.27 H new ATOM 0 HA ARG A 40 -15.167 0.896 -11.310 1.00 0.30 H new ATOM 0 HB2 ARG A 40 -13.469 2.982 -9.896 1.00 0.34 H new ATOM 0 HB3 ARG A 40 -13.338 2.679 -11.617 1.00 0.34 H new ATOM 0 HG2 ARG A 40 -15.847 3.580 -10.154 1.00 0.36 H new ATOM 0 HG3 ARG A 40 -14.820 4.589 -11.152 1.00 0.36 H new ATOM 0 HD2 ARG A 40 -16.407 2.167 -12.091 1.00 0.47 H new ATOM 0 HD3 ARG A 40 -16.805 3.845 -12.405 1.00 0.47 H new ATOM 0 HE ARG A 40 -14.289 3.692 -13.456 1.00 0.67 H new ATOM 0 HH11 ARG A 40 -17.120 1.599 -13.778 1.00 1.24 H new ATOM 0 HH12 ARG A 40 -16.708 1.106 -15.423 1.00 1.24 H new ATOM 0 HH21 ARG A 40 -13.769 3.053 -15.559 1.00 1.09 H new ATOM 0 HH22 ARG A 40 -14.816 1.927 -16.429 1.00 1.09 H new ATOM 1292 N GLU A 41 -12.224 0.478 -9.861 1.00 0.29 N ATOM 1293 CA GLU A 41 -10.973 -0.253 -10.010 1.00 0.32 C ATOM 1294 C GLU A 41 -10.861 -1.438 -9.056 1.00 0.35 C ATOM 1295 O GLU A 41 -9.979 -2.276 -9.213 1.00 0.46 O ATOM 1296 CB GLU A 41 -9.779 0.673 -9.816 1.00 0.38 C ATOM 1297 CG GLU A 41 -9.363 1.431 -11.063 1.00 0.47 C ATOM 1298 CD GLU A 41 -10.337 2.521 -11.466 1.00 0.83 C ATOM 1299 OE1 GLU A 41 -10.412 3.554 -10.767 1.00 1.60 O ATOM 1300 OE2 GLU A 41 -11.012 2.362 -12.502 1.00 1.54 O ATOM 0 H GLU A 41 -12.238 1.149 -9.093 1.00 0.29 H new ATOM 0 HA GLU A 41 -10.971 -0.648 -11.026 1.00 0.32 H new ATOM 0 HB2 GLU A 41 -10.016 1.391 -9.031 1.00 0.38 H new ATOM 0 HB3 GLU A 41 -8.932 0.084 -9.464 1.00 0.38 H new ATOM 0 HG2 GLU A 41 -8.382 1.876 -10.897 1.00 0.47 H new ATOM 0 HG3 GLU A 41 -9.258 0.726 -11.888 1.00 0.47 H new ATOM 1307 N LEU A 42 -11.745 -1.533 -8.075 1.00 0.28 N ATOM 1308 CA LEU A 42 -11.705 -2.667 -7.152 1.00 0.29 C ATOM 1309 C LEU A 42 -13.036 -3.433 -7.141 1.00 0.28 C ATOM 1310 O LEU A 42 -13.513 -3.818 -6.074 1.00 0.26 O ATOM 1311 CB LEU A 42 -11.382 -2.202 -5.722 1.00 0.27 C ATOM 1312 CG LEU A 42 -10.111 -1.367 -5.553 1.00 0.27 C ATOM 1313 CD1 LEU A 42 -10.374 0.102 -5.866 1.00 0.27 C ATOM 1314 CD2 LEU A 42 -9.566 -1.523 -4.143 1.00 0.31 C ATOM 0 H LEU A 42 -12.486 -0.856 -7.895 1.00 0.28 H new ATOM 0 HA LEU A 42 -10.918 -3.333 -7.504 1.00 0.29 H new ATOM 0 HB2 LEU A 42 -12.226 -1.620 -5.353 1.00 0.27 H new ATOM 0 HB3 LEU A 42 -11.300 -3.083 -5.086 1.00 0.27 H new ATOM 0 HG LEU A 42 -9.366 -1.731 -6.260 1.00 0.27 H new ATOM 0 HD11 LEU A 42 -9.454 0.672 -5.738 1.00 0.27 H new ATOM 0 HD12 LEU A 42 -10.720 0.198 -6.895 1.00 0.27 H new ATOM 0 HD13 LEU A 42 -11.137 0.487 -5.189 1.00 0.27 H new ATOM 0 HD21 LEU A 42 -8.662 -0.924 -4.034 1.00 0.31 H new ATOM 0 HD22 LEU A 42 -10.313 -1.185 -3.425 1.00 0.31 H new ATOM 0 HD23 LEU A 42 -9.332 -2.571 -3.957 1.00 0.31 H new ATOM 1326 N PRO A 43 -13.649 -3.717 -8.314 1.00 0.32 N ATOM 1327 CA PRO A 43 -14.987 -4.298 -8.351 1.00 0.34 C ATOM 1328 C PRO A 43 -14.980 -5.762 -7.937 1.00 0.35 C ATOM 1329 O PRO A 43 -16.000 -6.303 -7.504 1.00 0.38 O ATOM 1330 CB PRO A 43 -15.414 -4.139 -9.809 1.00 0.43 C ATOM 1331 CG PRO A 43 -14.144 -4.105 -10.586 1.00 0.52 C ATOM 1332 CD PRO A 43 -13.087 -3.545 -9.672 1.00 0.36 C ATOM 0 HA PRO A 43 -15.668 -3.810 -7.654 1.00 0.34 H new ATOM 0 HB2 PRO A 43 -16.048 -4.967 -10.126 1.00 0.43 H new ATOM 0 HB3 PRO A 43 -15.989 -3.224 -9.954 1.00 0.43 H new ATOM 0 HG2 PRO A 43 -13.872 -5.105 -10.925 1.00 0.52 H new ATOM 0 HG3 PRO A 43 -14.252 -3.485 -11.476 1.00 0.52 H new ATOM 0 HD2 PRO A 43 -12.143 -4.078 -9.782 1.00 0.36 H new ATOM 0 HD3 PRO A 43 -12.888 -2.496 -9.890 1.00 0.36 H new ATOM 1340 N SER A 44 -13.819 -6.392 -8.051 1.00 0.37 N ATOM 1341 CA SER A 44 -13.651 -7.760 -7.603 1.00 0.41 C ATOM 1342 C SER A 44 -13.581 -7.796 -6.080 1.00 0.37 C ATOM 1343 O SER A 44 -13.827 -8.826 -5.462 1.00 0.42 O ATOM 1344 CB SER A 44 -12.393 -8.366 -8.226 1.00 0.48 C ATOM 1345 OG SER A 44 -12.383 -8.177 -9.633 1.00 1.09 O ATOM 0 H SER A 44 -12.980 -5.973 -8.452 1.00 0.37 H new ATOM 0 HA SER A 44 -14.506 -8.355 -7.923 1.00 0.41 H new ATOM 0 HB2 SER A 44 -11.507 -7.906 -7.787 1.00 0.48 H new ATOM 0 HB3 SER A 44 -12.346 -9.431 -7.998 1.00 0.48 H new ATOM 0 HG SER A 44 -11.569 -8.571 -10.010 1.00 1.09 H new ATOM 1351 N PHE A 45 -13.289 -6.644 -5.485 1.00 0.33 N ATOM 1352 CA PHE A 45 -13.231 -6.526 -4.037 1.00 0.34 C ATOM 1353 C PHE A 45 -14.554 -5.991 -3.497 1.00 0.36 C ATOM 1354 O PHE A 45 -14.661 -5.614 -2.331 1.00 0.40 O ATOM 1355 CB PHE A 45 -12.073 -5.616 -3.620 1.00 0.33 C ATOM 1356 CG PHE A 45 -10.733 -6.110 -4.082 1.00 0.35 C ATOM 1357 CD1 PHE A 45 -10.166 -7.244 -3.520 1.00 1.31 C ATOM 1358 CD2 PHE A 45 -10.040 -5.446 -5.081 1.00 1.17 C ATOM 1359 CE1 PHE A 45 -8.934 -7.703 -3.945 1.00 1.36 C ATOM 1360 CE2 PHE A 45 -8.807 -5.901 -5.510 1.00 1.15 C ATOM 1361 CZ PHE A 45 -8.254 -7.030 -4.942 1.00 0.46 C ATOM 0 H PHE A 45 -13.089 -5.779 -5.987 1.00 0.33 H new ATOM 0 HA PHE A 45 -13.059 -7.516 -3.614 1.00 0.34 H new ATOM 0 HB2 PHE A 45 -12.242 -4.617 -4.022 1.00 0.33 H new ATOM 0 HB3 PHE A 45 -12.064 -5.525 -2.534 1.00 0.33 H new ATOM 0 HD1 PHE A 45 -10.694 -7.774 -2.741 1.00 1.31 H new ATOM 0 HD2 PHE A 45 -10.468 -4.562 -5.530 1.00 1.17 H new ATOM 0 HE1 PHE A 45 -8.503 -8.587 -3.498 1.00 1.36 H new ATOM 0 HE2 PHE A 45 -8.277 -5.373 -6.289 1.00 1.15 H new ATOM 0 HZ PHE A 45 -7.291 -7.387 -5.276 1.00 0.46 H new ATOM 1371 N LEU A 46 -15.560 -5.938 -4.362 1.00 0.36 N ATOM 1372 CA LEU A 46 -16.906 -5.587 -3.929 1.00 0.40 C ATOM 1373 C LEU A 46 -17.886 -6.714 -4.233 1.00 0.55 C ATOM 1374 O LEU A 46 -19.004 -6.736 -3.714 1.00 0.70 O ATOM 1375 CB LEU A 46 -17.394 -4.302 -4.593 1.00 0.35 C ATOM 1376 CG LEU A 46 -16.570 -3.053 -4.298 1.00 0.32 C ATOM 1377 CD1 LEU A 46 -17.247 -1.839 -4.897 1.00 0.34 C ATOM 1378 CD2 LEU A 46 -16.377 -2.870 -2.801 1.00 0.30 C ATOM 0 H LEU A 46 -15.470 -6.132 -5.359 1.00 0.36 H new ATOM 0 HA LEU A 46 -16.861 -5.427 -2.852 1.00 0.40 H new ATOM 0 HB2 LEU A 46 -17.413 -4.456 -5.672 1.00 0.35 H new ATOM 0 HB3 LEU A 46 -18.422 -4.120 -4.279 1.00 0.35 H new ATOM 0 HG LEU A 46 -15.585 -3.171 -4.750 1.00 0.32 H new ATOM 0 HD11 LEU A 46 -16.654 -0.949 -4.683 1.00 0.34 H new ATOM 0 HD12 LEU A 46 -17.334 -1.966 -5.976 1.00 0.34 H new ATOM 0 HD13 LEU A 46 -18.241 -1.726 -4.464 1.00 0.34 H new ATOM 0 HD21 LEU A 46 -15.786 -1.973 -2.617 1.00 0.30 H new ATOM 0 HD22 LEU A 46 -17.349 -2.770 -2.318 1.00 0.30 H new ATOM 0 HD23 LEU A 46 -15.857 -3.737 -2.393 1.00 0.30 H new ATOM 1390 N GLY A 47 -17.484 -7.634 -5.101 1.00 0.64 N ATOM 1391 CA GLY A 47 -18.303 -8.799 -5.399 1.00 0.82 C ATOM 1392 C GLY A 47 -19.672 -8.446 -5.958 1.00 0.87 C ATOM 1393 O GLY A 47 -20.576 -9.281 -5.946 1.00 1.23 O ATOM 0 H GLY A 47 -16.600 -7.595 -5.608 1.00 0.64 H new ATOM 0 HA2 GLY A 47 -17.777 -9.430 -6.116 1.00 0.82 H new ATOM 0 HA3 GLY A 47 -18.430 -9.387 -4.490 1.00 0.82 H new ATOM 1397 N LYS A 48 -19.825 -7.204 -6.425 1.00 0.79 N ATOM 1398 CA LYS A 48 -21.070 -6.722 -7.036 1.00 0.95 C ATOM 1399 C LYS A 48 -22.184 -6.530 -6.004 1.00 0.73 C ATOM 1400 O LYS A 48 -23.296 -6.130 -6.350 1.00 0.97 O ATOM 1401 CB LYS A 48 -21.564 -7.662 -8.141 1.00 1.43 C ATOM 1402 CG LYS A 48 -20.839 -7.515 -9.468 1.00 2.17 C ATOM 1403 CD LYS A 48 -19.379 -7.924 -9.374 1.00 2.32 C ATOM 1404 CE LYS A 48 -18.858 -8.419 -10.712 1.00 2.88 C ATOM 1405 NZ LYS A 48 -17.462 -8.918 -10.629 1.00 3.51 N ATOM 0 H LYS A 48 -19.087 -6.501 -6.391 1.00 0.79 H new ATOM 0 HA LYS A 48 -20.830 -5.753 -7.474 1.00 0.95 H new ATOM 0 HB2 LYS A 48 -21.460 -8.691 -7.797 1.00 1.43 H new ATOM 0 HB3 LYS A 48 -22.628 -7.485 -8.302 1.00 1.43 H new ATOM 0 HG2 LYS A 48 -21.337 -8.125 -10.222 1.00 2.17 H new ATOM 0 HG3 LYS A 48 -20.903 -6.480 -9.802 1.00 2.17 H new ATOM 0 HD2 LYS A 48 -18.782 -7.075 -9.040 1.00 2.32 H new ATOM 0 HD3 LYS A 48 -19.266 -8.708 -8.625 1.00 2.32 H new ATOM 0 HE2 LYS A 48 -19.505 -9.217 -11.077 1.00 2.88 H new ATOM 0 HE3 LYS A 48 -18.908 -7.609 -11.440 1.00 2.88 H new ATOM 0 HZ1 LYS A 48 -17.154 -9.244 -11.567 1.00 3.51 H new ATOM 0 HZ2 LYS A 48 -16.838 -8.151 -10.306 1.00 3.51 H new ATOM 0 HZ3 LYS A 48 -17.415 -9.709 -9.955 1.00 3.51 H new ATOM 1419 N ARG A 49 -21.894 -6.812 -4.744 1.00 0.73 N ATOM 1420 CA ARG A 49 -22.907 -6.716 -3.698 1.00 0.70 C ATOM 1421 C ARG A 49 -22.408 -5.921 -2.495 1.00 0.61 C ATOM 1422 O ARG A 49 -22.818 -6.165 -1.358 1.00 0.75 O ATOM 1423 CB ARG A 49 -23.350 -8.112 -3.261 1.00 0.97 C ATOM 1424 CG ARG A 49 -22.242 -8.948 -2.643 1.00 1.10 C ATOM 1425 CD ARG A 49 -22.802 -10.150 -1.900 1.00 1.54 C ATOM 1426 NE ARG A 49 -23.514 -11.070 -2.779 1.00 2.02 N ATOM 1427 CZ ARG A 49 -24.819 -11.334 -2.685 1.00 2.68 C ATOM 1428 NH1 ARG A 49 -25.566 -10.700 -1.788 1.00 3.06 N ATOM 1429 NH2 ARG A 49 -25.373 -12.226 -3.488 1.00 3.24 N ATOM 0 H ARG A 49 -20.973 -7.107 -4.419 1.00 0.73 H new ATOM 0 HA ARG A 49 -23.760 -6.181 -4.115 1.00 0.70 H new ATOM 0 HB2 ARG A 49 -24.162 -8.015 -2.541 1.00 0.97 H new ATOM 0 HB3 ARG A 49 -23.751 -8.641 -4.125 1.00 0.97 H new ATOM 0 HG2 ARG A 49 -21.561 -9.286 -3.424 1.00 1.10 H new ATOM 0 HG3 ARG A 49 -21.660 -8.333 -1.957 1.00 1.10 H new ATOM 0 HD2 ARG A 49 -21.987 -10.681 -1.408 1.00 1.54 H new ATOM 0 HD3 ARG A 49 -23.477 -9.806 -1.116 1.00 1.54 H new ATOM 0 HE ARG A 49 -22.982 -11.541 -3.511 1.00 2.02 H new ATOM 0 HH11 ARG A 49 -25.143 -10.009 -1.168 1.00 3.06 H new ATOM 0 HH12 ARG A 49 -26.563 -10.904 -1.719 1.00 3.06 H new ATOM 0 HH21 ARG A 49 -24.803 -12.713 -4.180 1.00 3.24 H new ATOM 0 HH22 ARG A 49 -26.370 -12.427 -3.416 1.00 3.24 H new ATOM 1443 N THR A 50 -21.552 -4.955 -2.748 1.00 0.55 N ATOM 1444 CA THR A 50 -21.053 -4.097 -1.687 1.00 0.50 C ATOM 1445 C THR A 50 -21.667 -2.712 -1.782 1.00 0.50 C ATOM 1446 O THR A 50 -21.260 -1.881 -2.599 1.00 0.56 O ATOM 1447 CB THR A 50 -19.522 -4.003 -1.695 1.00 0.54 C ATOM 1448 OG1 THR A 50 -18.956 -5.312 -1.578 1.00 0.91 O ATOM 1449 CG2 THR A 50 -19.028 -3.161 -0.542 1.00 0.51 C ATOM 0 H THR A 50 -21.186 -4.742 -3.676 1.00 0.55 H new ATOM 0 HA THR A 50 -21.349 -4.551 -0.741 1.00 0.50 H new ATOM 0 HB THR A 50 -19.218 -3.541 -2.634 1.00 0.54 H new ATOM 0 HG1 THR A 50 -19.242 -5.861 -2.337 1.00 0.91 H new ATOM 0 HG21 THR A 50 -17.940 -3.109 -0.569 1.00 0.51 H new ATOM 0 HG22 THR A 50 -19.441 -2.156 -0.623 1.00 0.51 H new ATOM 0 HG23 THR A 50 -19.346 -3.610 0.399 1.00 0.51 H new ATOM 1457 N ASP A 51 -22.674 -2.498 -0.959 1.00 0.49 N ATOM 1458 CA ASP A 51 -23.324 -1.208 -0.846 1.00 0.51 C ATOM 1459 C ASP A 51 -22.861 -0.541 0.434 1.00 0.44 C ATOM 1460 O ASP A 51 -21.841 -0.932 1.007 1.00 0.43 O ATOM 1461 CB ASP A 51 -24.848 -1.356 -0.814 1.00 0.60 C ATOM 1462 CG ASP A 51 -25.399 -2.081 -2.021 1.00 1.15 C ATOM 1463 OD1 ASP A 51 -25.342 -1.525 -3.136 1.00 1.94 O ATOM 1464 OD2 ASP A 51 -25.896 -3.214 -1.856 1.00 1.72 O ATOM 0 H ASP A 51 -23.065 -3.215 -0.349 1.00 0.49 H new ATOM 0 HA ASP A 51 -23.058 -0.605 -1.714 1.00 0.51 H new ATOM 0 HB2 ASP A 51 -25.136 -1.895 0.089 1.00 0.60 H new ATOM 0 HB3 ASP A 51 -25.302 -0.367 -0.753 1.00 0.60 H new ATOM 1469 N GLU A 52 -23.630 0.432 0.898 1.00 0.47 N ATOM 1470 CA GLU A 52 -23.316 1.143 2.129 1.00 0.46 C ATOM 1471 C GLU A 52 -23.200 0.173 3.308 1.00 0.46 C ATOM 1472 O GLU A 52 -22.498 0.447 4.282 1.00 0.46 O ATOM 1473 CB GLU A 52 -24.400 2.185 2.414 1.00 0.49 C ATOM 1474 CG GLU A 52 -24.664 3.136 1.252 1.00 0.52 C ATOM 1475 CD GLU A 52 -23.464 3.983 0.893 1.00 0.71 C ATOM 1476 OE1 GLU A 52 -22.893 4.623 1.803 1.00 1.44 O ATOM 1477 OE2 GLU A 52 -23.109 4.030 -0.302 1.00 1.27 O ATOM 0 H GLU A 52 -24.483 0.750 0.437 1.00 0.47 H new ATOM 0 HA GLU A 52 -22.355 1.642 2.004 1.00 0.46 H new ATOM 0 HB2 GLU A 52 -25.327 1.671 2.667 1.00 0.49 H new ATOM 0 HB3 GLU A 52 -24.109 2.767 3.288 1.00 0.49 H new ATOM 0 HG2 GLU A 52 -24.967 2.558 0.379 1.00 0.52 H new ATOM 0 HG3 GLU A 52 -25.499 3.789 1.507 1.00 0.52 H new ATOM 1484 N ALA A 53 -23.887 -0.966 3.200 1.00 0.52 N ATOM 1485 CA ALA A 53 -23.865 -1.997 4.233 1.00 0.58 C ATOM 1486 C ALA A 53 -22.462 -2.564 4.442 1.00 0.57 C ATOM 1487 O ALA A 53 -21.883 -2.402 5.514 1.00 0.68 O ATOM 1488 CB ALA A 53 -24.835 -3.113 3.882 1.00 0.65 C ATOM 0 H ALA A 53 -24.471 -1.197 2.396 1.00 0.52 H new ATOM 0 HA ALA A 53 -24.174 -1.531 5.169 1.00 0.58 H new ATOM 0 HB1 ALA A 53 -24.809 -3.876 4.660 1.00 0.65 H new ATOM 0 HB2 ALA A 53 -25.844 -2.707 3.805 1.00 0.65 H new ATOM 0 HB3 ALA A 53 -24.549 -3.557 2.929 1.00 0.65 H new ATOM 1494 N ALA A 54 -21.911 -3.226 3.425 1.00 0.49 N ATOM 1495 CA ALA A 54 -20.574 -3.807 3.548 1.00 0.50 C ATOM 1496 C ALA A 54 -19.523 -2.718 3.681 1.00 0.45 C ATOM 1497 O ALA A 54 -18.478 -2.916 4.305 1.00 0.52 O ATOM 1498 CB ALA A 54 -20.238 -4.702 2.367 1.00 0.49 C ATOM 0 H ALA A 54 -22.360 -3.372 2.521 1.00 0.49 H new ATOM 0 HA ALA A 54 -20.573 -4.419 4.450 1.00 0.50 H new ATOM 0 HB1 ALA A 54 -19.237 -5.114 2.496 1.00 0.49 H new ATOM 0 HB2 ALA A 54 -20.961 -5.516 2.310 1.00 0.49 H new ATOM 0 HB3 ALA A 54 -20.275 -4.119 1.447 1.00 0.49 H new ATOM 1504 N PHE A 55 -19.787 -1.567 3.081 1.00 0.36 N ATOM 1505 CA PHE A 55 -18.853 -0.454 3.141 1.00 0.32 C ATOM 1506 C PHE A 55 -18.633 0.010 4.578 1.00 0.34 C ATOM 1507 O PHE A 55 -17.640 0.668 4.868 1.00 0.34 O ATOM 1508 CB PHE A 55 -19.326 0.705 2.265 1.00 0.31 C ATOM 1509 CG PHE A 55 -18.709 0.695 0.895 1.00 0.28 C ATOM 1510 CD1 PHE A 55 -19.304 0.016 -0.161 1.00 1.20 C ATOM 1511 CD2 PHE A 55 -17.519 1.365 0.664 1.00 1.20 C ATOM 1512 CE1 PHE A 55 -18.723 0.011 -1.413 1.00 1.21 C ATOM 1513 CE2 PHE A 55 -16.936 1.361 -0.586 1.00 1.20 C ATOM 1514 CZ PHE A 55 -17.539 0.685 -1.626 1.00 0.31 C ATOM 0 H PHE A 55 -20.637 -1.380 2.549 1.00 0.36 H new ATOM 0 HA PHE A 55 -17.897 -0.806 2.754 1.00 0.32 H new ATOM 0 HB2 PHE A 55 -20.411 0.662 2.169 1.00 0.31 H new ATOM 0 HB3 PHE A 55 -19.087 1.647 2.758 1.00 0.31 H new ATOM 0 HD1 PHE A 55 -20.231 -0.514 -0.000 1.00 1.20 H new ATOM 0 HD2 PHE A 55 -17.041 1.897 1.473 1.00 1.20 H new ATOM 0 HE1 PHE A 55 -19.196 -0.521 -2.226 1.00 1.21 H new ATOM 0 HE2 PHE A 55 -16.007 1.887 -0.750 1.00 1.20 H new ATOM 0 HZ PHE A 55 -17.085 0.684 -2.606 1.00 0.31 H new ATOM 1524 N GLN A 56 -19.545 -0.365 5.470 1.00 0.37 N ATOM 1525 CA GLN A 56 -19.430 -0.027 6.884 1.00 0.40 C ATOM 1526 C GLN A 56 -18.137 -0.583 7.489 1.00 0.37 C ATOM 1527 O GLN A 56 -17.397 0.145 8.145 1.00 0.42 O ATOM 1528 CB GLN A 56 -20.636 -0.566 7.657 1.00 0.46 C ATOM 1529 CG GLN A 56 -20.636 -0.196 9.132 1.00 0.58 C ATOM 1530 CD GLN A 56 -21.737 -0.893 9.906 1.00 0.68 C ATOM 1531 OE1 GLN A 56 -21.541 -1.985 10.440 1.00 1.42 O ATOM 1532 NE2 GLN A 56 -22.898 -0.271 9.979 1.00 1.00 N ATOM 0 H GLN A 56 -20.377 -0.907 5.236 1.00 0.37 H new ATOM 0 HA GLN A 56 -19.404 1.060 6.964 1.00 0.40 H new ATOM 0 HB2 GLN A 56 -21.549 -0.187 7.197 1.00 0.46 H new ATOM 0 HB3 GLN A 56 -20.659 -1.652 7.565 1.00 0.46 H new ATOM 0 HG2 GLN A 56 -19.671 -0.454 9.568 1.00 0.58 H new ATOM 0 HG3 GLN A 56 -20.753 0.883 9.232 1.00 0.58 H new ATOM 0 HE21 GLN A 56 -23.022 0.633 9.523 1.00 1.00 H new ATOM 0 HE22 GLN A 56 -23.672 -0.694 10.491 1.00 1.00 H new ATOM 1541 N LYS A 57 -17.853 -1.865 7.248 1.00 0.34 N ATOM 1542 CA LYS A 57 -16.675 -2.501 7.836 1.00 0.35 C ATOM 1543 C LYS A 57 -15.412 -1.990 7.175 1.00 0.29 C ATOM 1544 O LYS A 57 -14.404 -1.762 7.838 1.00 0.34 O ATOM 1545 CB LYS A 57 -16.742 -4.023 7.704 1.00 0.47 C ATOM 1546 CG LYS A 57 -17.026 -4.764 9.008 1.00 0.85 C ATOM 1547 CD LYS A 57 -15.810 -4.827 9.937 1.00 0.57 C ATOM 1548 CE LYS A 57 -15.665 -3.584 10.803 1.00 0.63 C ATOM 1549 NZ LYS A 57 -14.607 -3.759 11.835 1.00 0.92 N ATOM 0 H LYS A 57 -18.416 -2.476 6.657 1.00 0.34 H new ATOM 0 HA LYS A 57 -16.657 -2.246 8.896 1.00 0.35 H new ATOM 0 HB2 LYS A 57 -17.517 -4.278 6.981 1.00 0.47 H new ATOM 0 HB3 LYS A 57 -15.796 -4.381 7.297 1.00 0.47 H new ATOM 0 HG2 LYS A 57 -17.848 -4.272 9.528 1.00 0.85 H new ATOM 0 HG3 LYS A 57 -17.355 -5.778 8.779 1.00 0.85 H new ATOM 0 HD2 LYS A 57 -15.894 -5.704 10.579 1.00 0.57 H new ATOM 0 HD3 LYS A 57 -14.908 -4.955 9.339 1.00 0.57 H new ATOM 0 HE2 LYS A 57 -15.423 -2.727 10.174 1.00 0.63 H new ATOM 0 HE3 LYS A 57 -16.616 -3.365 11.289 1.00 0.63 H new ATOM 0 HZ1 LYS A 57 -14.893 -3.277 12.711 1.00 0.92 H new ATOM 0 HZ2 LYS A 57 -14.473 -4.772 12.026 1.00 0.92 H new ATOM 0 HZ3 LYS A 57 -13.715 -3.350 11.490 1.00 0.92 H new ATOM 1563 N LEU A 58 -15.483 -1.810 5.864 1.00 0.24 N ATOM 1564 CA LEU A 58 -14.372 -1.261 5.106 1.00 0.20 C ATOM 1565 C LEU A 58 -14.007 0.112 5.640 1.00 0.20 C ATOM 1566 O LEU A 58 -12.925 0.301 6.189 1.00 0.22 O ATOM 1567 CB LEU A 58 -14.745 -1.169 3.628 1.00 0.20 C ATOM 1568 CG LEU A 58 -13.730 -0.442 2.754 1.00 0.19 C ATOM 1569 CD1 LEU A 58 -12.335 -0.996 2.993 1.00 0.20 C ATOM 1570 CD2 LEU A 58 -14.122 -0.551 1.289 1.00 0.23 C ATOM 0 H LEU A 58 -16.303 -2.038 5.302 1.00 0.24 H new ATOM 0 HA LEU A 58 -13.510 -1.919 5.212 1.00 0.20 H new ATOM 0 HB2 LEU A 58 -14.881 -2.178 3.239 1.00 0.20 H new ATOM 0 HB3 LEU A 58 -15.706 -0.662 3.542 1.00 0.20 H new ATOM 0 HG LEU A 58 -13.723 0.614 3.023 1.00 0.19 H new ATOM 0 HD11 LEU A 58 -11.621 -0.467 2.362 1.00 0.20 H new ATOM 0 HD12 LEU A 58 -12.064 -0.861 4.040 1.00 0.20 H new ATOM 0 HD13 LEU A 58 -12.318 -2.058 2.749 1.00 0.20 H new ATOM 0 HD21 LEU A 58 -13.388 -0.027 0.676 1.00 0.23 H new ATOM 0 HD22 LEU A 58 -14.155 -1.601 0.998 1.00 0.23 H new ATOM 0 HD23 LEU A 58 -15.105 -0.103 1.141 1.00 0.23 H new ATOM 1582 N MET A 59 -14.926 1.048 5.450 1.00 0.21 N ATOM 1583 CA MET A 59 -14.828 2.398 5.993 1.00 0.26 C ATOM 1584 C MET A 59 -14.292 2.397 7.421 1.00 0.27 C ATOM 1585 O MET A 59 -13.367 3.124 7.735 1.00 0.33 O ATOM 1586 CB MET A 59 -16.210 3.051 5.988 1.00 0.36 C ATOM 1587 CG MET A 59 -16.157 4.554 5.855 1.00 0.34 C ATOM 1588 SD MET A 59 -15.622 5.050 4.212 1.00 0.72 S ATOM 1589 CE MET A 59 -14.746 6.545 4.611 1.00 0.32 C ATOM 0 H MET A 59 -15.774 0.890 4.906 1.00 0.21 H new ATOM 0 HA MET A 59 -14.134 2.957 5.365 1.00 0.26 H new ATOM 0 HB2 MET A 59 -16.796 2.640 5.166 1.00 0.36 H new ATOM 0 HB3 MET A 59 -16.730 2.792 6.910 1.00 0.36 H new ATOM 0 HG2 MET A 59 -17.142 4.974 6.061 1.00 0.34 H new ATOM 0 HG3 MET A 59 -15.474 4.963 6.600 1.00 0.34 H new ATOM 0 HE1 MET A 59 -13.988 6.736 3.851 1.00 0.32 H new ATOM 0 HE2 MET A 59 -15.446 7.380 4.643 1.00 0.32 H new ATOM 0 HE3 MET A 59 -14.266 6.437 5.583 1.00 0.32 H new ATOM 1599 N SER A 60 -14.881 1.564 8.265 1.00 0.28 N ATOM 1600 CA SER A 60 -14.533 1.508 9.685 1.00 0.35 C ATOM 1601 C SER A 60 -13.088 1.069 9.906 1.00 0.32 C ATOM 1602 O SER A 60 -12.337 1.723 10.624 1.00 0.36 O ATOM 1603 CB SER A 60 -15.453 0.521 10.388 1.00 0.41 C ATOM 1604 OG SER A 60 -15.314 0.571 11.799 1.00 0.64 O ATOM 0 H SER A 60 -15.612 0.908 7.991 1.00 0.28 H new ATOM 0 HA SER A 60 -14.650 2.513 10.092 1.00 0.35 H new ATOM 0 HB2 SER A 60 -16.487 0.736 10.119 1.00 0.41 H new ATOM 0 HB3 SER A 60 -15.235 -0.488 10.039 1.00 0.41 H new ATOM 0 HG SER A 60 -15.923 -0.077 12.211 1.00 0.64 H new ATOM 1610 N ASN A 61 -12.712 -0.050 9.300 1.00 0.30 N ATOM 1611 CA ASN A 61 -11.376 -0.607 9.480 1.00 0.31 C ATOM 1612 C ASN A 61 -10.352 0.331 8.885 1.00 0.31 C ATOM 1613 O ASN A 61 -9.260 0.521 9.419 1.00 0.39 O ATOM 1614 CB ASN A 61 -11.286 -1.970 8.809 1.00 0.34 C ATOM 1615 CG ASN A 61 -11.977 -3.073 9.587 1.00 0.43 C ATOM 1616 OD1 ASN A 61 -12.110 -3.004 10.809 1.00 0.95 O ATOM 1617 ND2 ASN A 61 -12.410 -4.107 8.882 1.00 0.57 N ATOM 0 H ASN A 61 -13.314 -0.591 8.679 1.00 0.30 H new ATOM 0 HA ASN A 61 -11.177 -0.726 10.545 1.00 0.31 H new ATOM 0 HB2 ASN A 61 -11.727 -1.906 7.814 1.00 0.34 H new ATOM 0 HB3 ASN A 61 -10.236 -2.232 8.676 1.00 0.34 H new ATOM 0 HD21 ASN A 61 -12.874 -4.885 9.350 1.00 0.57 H new ATOM 0 HD22 ASN A 61 -12.280 -4.125 7.870 1.00 0.57 H new ATOM 1624 N LEU A 62 -10.733 0.899 7.762 1.00 0.30 N ATOM 1625 CA LEU A 62 -9.948 1.928 7.093 1.00 0.33 C ATOM 1626 C LEU A 62 -9.759 3.152 7.978 1.00 0.33 C ATOM 1627 O LEU A 62 -8.638 3.538 8.307 1.00 0.38 O ATOM 1628 CB LEU A 62 -10.665 2.348 5.815 1.00 0.37 C ATOM 1629 CG LEU A 62 -9.782 2.398 4.589 1.00 0.24 C ATOM 1630 CD1 LEU A 62 -9.046 1.091 4.464 1.00 0.52 C ATOM 1631 CD2 LEU A 62 -10.605 2.664 3.342 1.00 0.28 C ATOM 0 H LEU A 62 -11.600 0.663 7.280 1.00 0.30 H new ATOM 0 HA LEU A 62 -8.965 1.513 6.868 1.00 0.33 H new ATOM 0 HB2 LEU A 62 -11.485 1.655 5.629 1.00 0.37 H new ATOM 0 HB3 LEU A 62 -11.108 3.332 5.969 1.00 0.37 H new ATOM 0 HG LEU A 62 -9.066 3.213 4.694 1.00 0.24 H new ATOM 0 HD11 LEU A 62 -8.406 1.117 3.582 1.00 0.52 H new ATOM 0 HD12 LEU A 62 -8.434 0.932 5.352 1.00 0.52 H new ATOM 0 HD13 LEU A 62 -9.764 0.277 4.367 1.00 0.52 H new ATOM 0 HD21 LEU A 62 -9.948 2.696 2.473 1.00 0.28 H new ATOM 0 HD22 LEU A 62 -11.339 1.868 3.214 1.00 0.28 H new ATOM 0 HD23 LEU A 62 -11.120 3.619 3.443 1.00 0.28 H new ATOM 1643 N ASP A 63 -10.879 3.754 8.340 1.00 0.37 N ATOM 1644 CA ASP A 63 -10.913 4.980 9.117 1.00 0.43 C ATOM 1645 C ASP A 63 -10.488 4.708 10.560 1.00 0.38 C ATOM 1646 O ASP A 63 -11.313 4.414 11.428 1.00 0.43 O ATOM 1647 CB ASP A 63 -12.332 5.550 9.044 1.00 0.56 C ATOM 1648 CG ASP A 63 -12.527 6.843 9.792 1.00 0.85 C ATOM 1649 OD1 ASP A 63 -11.879 7.852 9.457 1.00 1.35 O ATOM 1650 OD2 ASP A 63 -13.360 6.858 10.710 1.00 1.56 O ATOM 0 H ASP A 63 -11.804 3.399 8.098 1.00 0.37 H new ATOM 0 HA ASP A 63 -10.211 5.709 8.712 1.00 0.43 H new ATOM 0 HB2 ASP A 63 -12.593 5.708 7.997 1.00 0.56 H new ATOM 0 HB3 ASP A 63 -13.028 4.809 9.438 1.00 0.56 H new ATOM 1655 N SER A 64 -9.190 4.797 10.799 1.00 0.37 N ATOM 1656 CA SER A 64 -8.605 4.398 12.067 1.00 0.41 C ATOM 1657 C SER A 64 -8.746 5.513 13.101 1.00 0.52 C ATOM 1658 O SER A 64 -8.812 5.257 14.304 1.00 0.64 O ATOM 1659 CB SER A 64 -7.129 4.025 11.861 1.00 0.45 C ATOM 1660 OG SER A 64 -6.331 5.176 11.638 1.00 0.58 O ATOM 0 H SER A 64 -8.514 5.147 10.120 1.00 0.37 H new ATOM 0 HA SER A 64 -9.138 3.526 12.445 1.00 0.41 H new ATOM 0 HB2 SER A 64 -6.762 3.490 12.737 1.00 0.45 H new ATOM 0 HB3 SER A 64 -7.038 3.347 11.012 1.00 0.45 H new ATOM 0 HG SER A 64 -6.880 5.883 11.239 1.00 0.58 H new ATOM 1666 N ASN A 65 -8.797 6.755 12.625 1.00 0.60 N ATOM 1667 CA ASN A 65 -8.985 7.906 13.508 1.00 0.83 C ATOM 1668 C ASN A 65 -10.463 8.099 13.850 1.00 0.89 C ATOM 1669 O ASN A 65 -10.811 8.893 14.721 1.00 1.10 O ATOM 1670 CB ASN A 65 -8.390 9.187 12.888 1.00 0.95 C ATOM 1671 CG ASN A 65 -8.860 9.488 11.466 1.00 0.99 C ATOM 1672 OD1 ASN A 65 -10.098 9.146 11.140 1.00 1.52 O flip ATOM 1673 ND2 ASN A 65 -8.112 10.056 10.669 1.00 1.44 N flip ATOM 0 H ASN A 65 -8.711 6.991 11.636 1.00 0.60 H new ATOM 0 HA ASN A 65 -8.449 7.705 14.435 1.00 0.83 H new ATOM 0 HB2 ASN A 65 -8.643 10.034 13.526 1.00 0.95 H new ATOM 0 HB3 ASN A 65 -7.303 9.102 12.886 1.00 0.95 H new ATOM 0 HD21 ASN A 65 -7.164 10.307 10.949 1.00 1.44 H new ATOM 0 HD22 ASN A 65 -8.441 10.276 9.729 1.00 1.44 H new ATOM 1680 N ARG A 66 -11.317 7.356 13.152 1.00 0.79 N ATOM 1681 CA ARG A 66 -12.765 7.370 13.378 1.00 0.98 C ATOM 1682 C ARG A 66 -13.381 8.755 13.205 1.00 1.05 C ATOM 1683 O ARG A 66 -13.724 9.428 14.177 1.00 1.34 O ATOM 1684 CB ARG A 66 -13.123 6.780 14.742 1.00 1.26 C ATOM 1685 CG ARG A 66 -12.867 5.287 14.816 1.00 1.46 C ATOM 1686 CD ARG A 66 -13.590 4.549 13.699 1.00 1.25 C ATOM 1687 NE ARG A 66 -15.041 4.600 13.858 1.00 1.91 N ATOM 1688 CZ ARG A 66 -15.893 4.991 12.910 1.00 2.60 C ATOM 1689 NH1 ARG A 66 -15.453 5.443 11.740 1.00 2.85 N ATOM 1690 NH2 ARG A 66 -17.193 4.950 13.145 1.00 3.45 N ATOM 0 H ARG A 66 -11.025 6.722 12.408 1.00 0.79 H new ATOM 0 HA ARG A 66 -13.198 6.736 12.605 1.00 0.98 H new ATOM 0 HB2 ARG A 66 -12.543 7.283 15.515 1.00 1.26 H new ATOM 0 HB3 ARG A 66 -14.174 6.976 14.954 1.00 1.26 H new ATOM 0 HG2 ARG A 66 -11.796 5.095 14.749 1.00 1.46 H new ATOM 0 HG3 ARG A 66 -13.199 4.906 15.782 1.00 1.46 H new ATOM 0 HD2 ARG A 66 -13.315 4.986 12.739 1.00 1.25 H new ATOM 0 HD3 ARG A 66 -13.264 3.509 13.681 1.00 1.25 H new ATOM 0 HE ARG A 66 -15.430 4.317 14.757 1.00 1.91 H new ATOM 0 HH11 ARG A 66 -14.451 5.494 11.557 1.00 2.85 H new ATOM 0 HH12 ARG A 66 -16.118 5.738 11.025 1.00 2.85 H new ATOM 0 HH21 ARG A 66 -17.538 4.621 14.047 1.00 3.45 H new ATOM 0 HH22 ARG A 66 -17.851 5.248 12.425 1.00 3.45 H new ATOM 1704 N ASP A 67 -13.485 9.180 11.954 1.00 0.86 N ATOM 1705 CA ASP A 67 -14.211 10.395 11.606 1.00 1.00 C ATOM 1706 C ASP A 67 -15.153 10.111 10.435 1.00 0.88 C ATOM 1707 O ASP A 67 -15.925 10.973 10.013 1.00 0.94 O ATOM 1708 CB ASP A 67 -13.242 11.528 11.252 1.00 1.13 C ATOM 1709 CG ASP A 67 -13.930 12.879 11.195 1.00 1.57 C ATOM 1710 OD1 ASP A 67 -14.440 13.334 12.245 1.00 2.02 O ATOM 1711 OD2 ASP A 67 -13.952 13.503 10.114 1.00 2.08 O ATOM 0 H ASP A 67 -13.072 8.697 11.156 1.00 0.86 H new ATOM 0 HA ASP A 67 -14.797 10.713 12.468 1.00 1.00 H new ATOM 0 HB2 ASP A 67 -12.441 11.562 11.991 1.00 1.13 H new ATOM 0 HB3 ASP A 67 -12.778 11.318 10.288 1.00 1.13 H new ATOM 1716 N ASN A 68 -15.078 8.875 9.929 1.00 0.77 N ATOM 1717 CA ASN A 68 -15.846 8.425 8.758 1.00 0.74 C ATOM 1718 C ASN A 68 -15.365 9.103 7.480 1.00 0.65 C ATOM 1719 O ASN A 68 -16.077 9.135 6.474 1.00 0.66 O ATOM 1720 CB ASN A 68 -17.359 8.631 8.939 1.00 0.92 C ATOM 1721 CG ASN A 68 -17.973 7.610 9.876 1.00 1.13 C ATOM 1722 OD1 ASN A 68 -17.429 6.524 10.073 1.00 1.54 O ATOM 1723 ND2 ASN A 68 -19.129 7.936 10.435 1.00 1.75 N ATOM 0 H ASN A 68 -14.478 8.151 10.323 1.00 0.77 H new ATOM 0 HA ASN A 68 -15.669 7.353 8.666 1.00 0.74 H new ATOM 0 HB2 ASN A 68 -17.543 9.633 9.327 1.00 0.92 H new ATOM 0 HB3 ASN A 68 -17.850 8.570 7.968 1.00 0.92 H new ATOM 0 HD21 ASN A 68 -19.600 7.276 11.054 1.00 1.75 H new ATOM 0 HD22 ASN A 68 -19.548 8.847 10.246 1.00 1.75 H new ATOM 1730 N GLU A 69 -14.143 9.611 7.519 1.00 0.64 N ATOM 1731 CA GLU A 69 -13.509 10.197 6.347 1.00 0.63 C ATOM 1732 C GLU A 69 -12.059 9.752 6.268 1.00 0.54 C ATOM 1733 O GLU A 69 -11.234 10.131 7.103 1.00 0.65 O ATOM 1734 CB GLU A 69 -13.591 11.726 6.363 1.00 0.82 C ATOM 1735 CG GLU A 69 -14.937 12.270 5.913 1.00 0.95 C ATOM 1736 CD GLU A 69 -14.942 13.779 5.805 1.00 1.13 C ATOM 1737 OE1 GLU A 69 -14.231 14.322 4.934 1.00 1.65 O ATOM 1738 OE2 GLU A 69 -15.661 14.431 6.590 1.00 1.59 O ATOM 0 H GLU A 69 -13.565 9.629 8.359 1.00 0.64 H new ATOM 0 HA GLU A 69 -14.046 9.847 5.466 1.00 0.63 H new ATOM 0 HB2 GLU A 69 -13.384 12.082 7.372 1.00 0.82 H new ATOM 0 HB3 GLU A 69 -12.811 12.130 5.717 1.00 0.82 H new ATOM 0 HG2 GLU A 69 -15.195 11.838 4.946 1.00 0.95 H new ATOM 0 HG3 GLU A 69 -15.707 11.956 6.618 1.00 0.95 H new ATOM 1745 N VAL A 70 -11.759 8.943 5.267 1.00 0.40 N ATOM 1746 CA VAL A 70 -10.430 8.383 5.108 1.00 0.31 C ATOM 1747 C VAL A 70 -9.445 9.431 4.623 1.00 0.33 C ATOM 1748 O VAL A 70 -9.555 9.947 3.508 1.00 0.39 O ATOM 1749 CB VAL A 70 -10.439 7.180 4.142 1.00 0.28 C ATOM 1750 CG1 VAL A 70 -9.035 6.789 3.715 1.00 0.32 C ATOM 1751 CG2 VAL A 70 -11.130 6.000 4.794 1.00 0.29 C ATOM 0 H VAL A 70 -12.424 8.658 4.548 1.00 0.40 H new ATOM 0 HA VAL A 70 -10.110 8.035 6.090 1.00 0.31 H new ATOM 0 HB VAL A 70 -10.986 7.476 3.247 1.00 0.28 H new ATOM 0 HG11 VAL A 70 -9.085 5.938 3.035 1.00 0.32 H new ATOM 0 HG12 VAL A 70 -8.561 7.630 3.209 1.00 0.32 H new ATOM 0 HG13 VAL A 70 -8.450 6.518 4.594 1.00 0.32 H new ATOM 0 HG21 VAL A 70 -11.133 5.154 4.106 1.00 0.29 H new ATOM 0 HG22 VAL A 70 -10.599 5.725 5.705 1.00 0.29 H new ATOM 0 HG23 VAL A 70 -12.157 6.270 5.040 1.00 0.29 H new ATOM 1761 N ASP A 71 -8.504 9.756 5.490 1.00 0.36 N ATOM 1762 CA ASP A 71 -7.386 10.610 5.133 1.00 0.40 C ATOM 1763 C ASP A 71 -6.373 9.785 4.353 1.00 0.32 C ATOM 1764 O ASP A 71 -6.499 8.564 4.285 1.00 0.29 O ATOM 1765 CB ASP A 71 -6.751 11.192 6.403 1.00 0.49 C ATOM 1766 CG ASP A 71 -5.606 12.139 6.113 1.00 0.61 C ATOM 1767 OD1 ASP A 71 -5.874 13.306 5.765 1.00 1.22 O ATOM 1768 OD2 ASP A 71 -4.436 11.712 6.220 1.00 1.32 O ATOM 0 H ASP A 71 -8.493 9.437 6.459 1.00 0.36 H new ATOM 0 HA ASP A 71 -7.727 11.439 4.514 1.00 0.40 H new ATOM 0 HB2 ASP A 71 -7.515 11.719 6.975 1.00 0.49 H new ATOM 0 HB3 ASP A 71 -6.390 10.376 7.029 1.00 0.49 H new ATOM 1773 N PHE A 72 -5.381 10.435 3.769 1.00 0.36 N ATOM 1774 CA PHE A 72 -4.337 9.729 3.040 1.00 0.36 C ATOM 1775 C PHE A 72 -3.690 8.660 3.921 1.00 0.30 C ATOM 1776 O PHE A 72 -3.307 7.588 3.446 1.00 0.39 O ATOM 1777 CB PHE A 72 -3.284 10.707 2.552 1.00 0.51 C ATOM 1778 CG PHE A 72 -2.392 10.086 1.538 1.00 0.58 C ATOM 1779 CD1 PHE A 72 -2.934 9.305 0.534 1.00 1.26 C ATOM 1780 CD2 PHE A 72 -1.030 10.267 1.583 1.00 1.38 C ATOM 1781 CE1 PHE A 72 -2.137 8.712 -0.404 1.00 1.29 C ATOM 1782 CE2 PHE A 72 -0.221 9.685 0.643 1.00 1.46 C ATOM 1783 CZ PHE A 72 -0.769 8.903 -0.353 1.00 0.78 C ATOM 0 H PHE A 72 -5.275 11.449 3.784 1.00 0.36 H new ATOM 0 HA PHE A 72 -4.793 9.239 2.179 1.00 0.36 H new ATOM 0 HB2 PHE A 72 -3.771 11.583 2.123 1.00 0.51 H new ATOM 0 HB3 PHE A 72 -2.690 11.055 3.397 1.00 0.51 H new ATOM 0 HD1 PHE A 72 -4.004 9.162 0.491 1.00 1.26 H new ATOM 0 HD2 PHE A 72 -0.595 10.872 2.365 1.00 1.38 H new ATOM 0 HE1 PHE A 72 -2.572 8.099 -1.179 1.00 1.29 H new ATOM 0 HE2 PHE A 72 0.847 9.839 0.682 1.00 1.46 H new ATOM 0 HZ PHE A 72 -0.130 8.441 -1.091 1.00 0.78 H new ATOM 1793 N GLN A 73 -3.589 8.969 5.206 1.00 0.30 N ATOM 1794 CA GLN A 73 -3.109 8.025 6.210 1.00 0.41 C ATOM 1795 C GLN A 73 -3.903 6.729 6.161 1.00 0.38 C ATOM 1796 O GLN A 73 -3.338 5.642 6.057 1.00 0.44 O ATOM 1797 CB GLN A 73 -3.227 8.631 7.614 1.00 0.61 C ATOM 1798 CG GLN A 73 -2.265 9.775 7.878 1.00 0.85 C ATOM 1799 CD GLN A 73 -0.826 9.337 7.755 1.00 0.83 C ATOM 1800 OE1 GLN A 73 -0.207 8.901 8.726 1.00 1.20 O ATOM 1801 NE2 GLN A 73 -0.283 9.452 6.561 1.00 1.48 N ATOM 0 H GLN A 73 -3.838 9.883 5.584 1.00 0.30 H new ATOM 0 HA GLN A 73 -2.063 7.811 5.990 1.00 0.41 H new ATOM 0 HB2 GLN A 73 -4.247 8.987 7.760 1.00 0.61 H new ATOM 0 HB3 GLN A 73 -3.054 7.848 8.352 1.00 0.61 H new ATOM 0 HG2 GLN A 73 -2.460 10.584 7.174 1.00 0.85 H new ATOM 0 HG3 GLN A 73 -2.440 10.173 8.877 1.00 0.85 H new ATOM 0 HE21 GLN A 73 -0.833 9.818 5.784 1.00 1.48 H new ATOM 0 HE22 GLN A 73 0.687 9.175 6.413 1.00 1.48 H new ATOM 1810 N GLU A 74 -5.220 6.850 6.199 1.00 0.34 N ATOM 1811 CA GLU A 74 -6.093 5.692 6.278 1.00 0.37 C ATOM 1812 C GLU A 74 -6.173 5.021 4.911 1.00 0.32 C ATOM 1813 O GLU A 74 -6.676 3.906 4.767 1.00 0.36 O ATOM 1814 CB GLU A 74 -7.493 6.119 6.729 1.00 0.44 C ATOM 1815 CG GLU A 74 -7.502 7.296 7.700 1.00 0.52 C ATOM 1816 CD GLU A 74 -6.853 6.988 9.032 1.00 0.58 C ATOM 1817 OE1 GLU A 74 -5.611 7.009 9.117 1.00 1.29 O ATOM 1818 OE2 GLU A 74 -7.587 6.742 10.007 1.00 1.16 O ATOM 0 H GLU A 74 -5.709 7.745 6.176 1.00 0.34 H new ATOM 0 HA GLU A 74 -5.688 4.988 7.005 1.00 0.37 H new ATOM 0 HB2 GLU A 74 -8.082 6.382 5.850 1.00 0.44 H new ATOM 0 HB3 GLU A 74 -7.986 5.269 7.200 1.00 0.44 H new ATOM 0 HG2 GLU A 74 -6.986 8.139 7.240 1.00 0.52 H new ATOM 0 HG3 GLU A 74 -8.533 7.607 7.871 1.00 0.52 H new ATOM 1825 N TYR A 75 -5.660 5.715 3.908 1.00 0.26 N ATOM 1826 CA TYR A 75 -5.763 5.264 2.537 1.00 0.25 C ATOM 1827 C TYR A 75 -4.589 4.361 2.152 1.00 0.24 C ATOM 1828 O TYR A 75 -4.765 3.394 1.410 1.00 0.28 O ATOM 1829 CB TYR A 75 -5.847 6.469 1.602 1.00 0.25 C ATOM 1830 CG TYR A 75 -6.275 6.112 0.203 1.00 0.26 C ATOM 1831 CD1 TYR A 75 -5.401 5.473 -0.668 1.00 1.27 C ATOM 1832 CD2 TYR A 75 -7.559 6.395 -0.238 1.00 1.17 C ATOM 1833 CE1 TYR A 75 -5.792 5.124 -1.943 1.00 1.30 C ATOM 1834 CE2 TYR A 75 -7.957 6.050 -1.518 1.00 1.17 C ATOM 1835 CZ TYR A 75 -7.066 5.411 -2.364 1.00 0.38 C ATOM 1836 OH TYR A 75 -7.449 5.060 -3.634 1.00 0.47 O ATOM 0 H TYR A 75 -5.165 6.599 4.023 1.00 0.26 H new ATOM 0 HA TYR A 75 -6.673 4.671 2.440 1.00 0.25 H new ATOM 0 HB2 TYR A 75 -6.550 7.192 2.016 1.00 0.25 H new ATOM 0 HB3 TYR A 75 -4.873 6.957 1.563 1.00 0.25 H new ATOM 0 HD1 TYR A 75 -4.397 5.246 -0.340 1.00 1.27 H new ATOM 0 HD2 TYR A 75 -8.255 6.889 0.424 1.00 1.17 H new ATOM 0 HE1 TYR A 75 -5.100 4.628 -2.607 1.00 1.30 H new ATOM 0 HE2 TYR A 75 -8.957 6.278 -1.855 1.00 1.17 H new ATOM 0 HH TYR A 75 -6.655 4.847 -4.168 1.00 0.47 H new ATOM 1846 N CYS A 76 -3.392 4.661 2.652 1.00 0.22 N ATOM 1847 CA CYS A 76 -2.220 3.848 2.325 1.00 0.21 C ATOM 1848 C CYS A 76 -2.428 2.420 2.794 1.00 0.15 C ATOM 1849 O CYS A 76 -2.060 1.456 2.115 1.00 0.17 O ATOM 1850 CB CYS A 76 -0.955 4.414 2.978 1.00 0.27 C ATOM 1851 SG CYS A 76 -0.943 4.346 4.781 1.00 1.65 S ATOM 0 H CYS A 76 -3.208 5.447 3.275 1.00 0.22 H new ATOM 0 HA CYS A 76 -2.093 3.866 1.243 1.00 0.21 H new ATOM 0 HB2 CYS A 76 -0.092 3.866 2.601 1.00 0.27 H new ATOM 0 HB3 CYS A 76 -0.834 5.451 2.666 1.00 0.27 H new ATOM 0 HG CYS A 76 -1.940 5.037 5.248 1.00 1.65 H new ATOM 1857 N VAL A 77 -3.040 2.300 3.957 1.00 0.16 N ATOM 1858 CA VAL A 77 -3.256 1.017 4.576 1.00 0.17 C ATOM 1859 C VAL A 77 -4.444 0.303 3.955 1.00 0.17 C ATOM 1860 O VAL A 77 -4.594 -0.901 4.119 1.00 0.19 O ATOM 1861 CB VAL A 77 -3.444 1.168 6.092 1.00 0.20 C ATOM 1862 CG1 VAL A 77 -2.211 1.817 6.689 1.00 0.23 C ATOM 1863 CG2 VAL A 77 -4.685 1.981 6.420 1.00 0.19 C ATOM 0 H VAL A 77 -3.398 3.090 4.494 1.00 0.16 H new ATOM 0 HA VAL A 77 -2.369 0.408 4.401 1.00 0.17 H new ATOM 0 HB VAL A 77 -3.580 0.177 6.525 1.00 0.20 H new ATOM 0 HG11 VAL A 77 -2.342 1.925 7.766 1.00 0.23 H new ATOM 0 HG12 VAL A 77 -1.339 1.193 6.490 1.00 0.23 H new ATOM 0 HG13 VAL A 77 -2.064 2.800 6.241 1.00 0.23 H new ATOM 0 HG21 VAL A 77 -4.787 2.068 7.502 1.00 0.19 H new ATOM 0 HG22 VAL A 77 -4.595 2.975 5.983 1.00 0.19 H new ATOM 0 HG23 VAL A 77 -5.564 1.483 6.011 1.00 0.19 H new ATOM 1873 N PHE A 78 -5.280 1.050 3.238 1.00 0.20 N ATOM 1874 CA PHE A 78 -6.344 0.461 2.453 1.00 0.22 C ATOM 1875 C PHE A 78 -5.742 -0.550 1.507 1.00 0.19 C ATOM 1876 O PHE A 78 -5.872 -1.751 1.700 1.00 0.18 O ATOM 1877 CB PHE A 78 -7.089 1.562 1.671 1.00 0.30 C ATOM 1878 CG PHE A 78 -8.196 1.095 0.775 1.00 0.22 C ATOM 1879 CD1 PHE A 78 -9.142 0.177 1.195 1.00 1.19 C ATOM 1880 CD2 PHE A 78 -8.286 1.608 -0.507 1.00 1.21 C ATOM 1881 CE1 PHE A 78 -10.158 -0.220 0.349 1.00 1.21 C ATOM 1882 CE2 PHE A 78 -9.291 1.217 -1.356 1.00 1.20 C ATOM 1883 CZ PHE A 78 -10.232 0.300 -0.932 1.00 0.22 C ATOM 0 H PHE A 78 -5.235 2.068 3.189 1.00 0.20 H new ATOM 0 HA PHE A 78 -7.062 -0.037 3.105 1.00 0.22 H new ATOM 0 HB2 PHE A 78 -7.503 2.272 2.387 1.00 0.30 H new ATOM 0 HB3 PHE A 78 -6.363 2.105 1.066 1.00 0.30 H new ATOM 0 HD1 PHE A 78 -9.085 -0.232 2.193 1.00 1.19 H new ATOM 0 HD2 PHE A 78 -7.554 2.327 -0.845 1.00 1.21 H new ATOM 0 HE1 PHE A 78 -10.894 -0.935 0.686 1.00 1.21 H new ATOM 0 HE2 PHE A 78 -9.346 1.626 -2.354 1.00 1.20 H new ATOM 0 HZ PHE A 78 -11.024 -0.011 -1.598 1.00 0.22 H new ATOM 1893 N LEU A 79 -4.995 -0.043 0.552 1.00 0.20 N ATOM 1894 CA LEU A 79 -4.497 -0.847 -0.543 1.00 0.19 C ATOM 1895 C LEU A 79 -3.462 -1.860 -0.107 1.00 0.16 C ATOM 1896 O LEU A 79 -3.531 -3.025 -0.482 1.00 0.18 O ATOM 1897 CB LEU A 79 -3.931 0.071 -1.609 1.00 0.22 C ATOM 1898 CG LEU A 79 -4.978 0.991 -2.204 1.00 0.15 C ATOM 1899 CD1 LEU A 79 -4.407 1.793 -3.354 1.00 0.16 C ATOM 1900 CD2 LEU A 79 -6.174 0.164 -2.635 1.00 0.16 C ATOM 0 H LEU A 79 -4.715 0.937 0.512 1.00 0.20 H new ATOM 0 HA LEU A 79 -5.332 -1.422 -0.943 1.00 0.19 H new ATOM 0 HB2 LEU A 79 -3.129 0.670 -1.178 1.00 0.22 H new ATOM 0 HB3 LEU A 79 -3.488 -0.530 -2.403 1.00 0.22 H new ATOM 0 HG LEU A 79 -5.301 1.710 -1.452 1.00 0.15 H new ATOM 0 HD11 LEU A 79 -5.180 2.445 -3.762 1.00 0.16 H new ATOM 0 HD12 LEU A 79 -3.573 2.398 -2.997 1.00 0.16 H new ATOM 0 HD13 LEU A 79 -4.056 1.115 -4.132 1.00 0.16 H new ATOM 0 HD21 LEU A 79 -6.933 0.818 -3.065 1.00 0.16 H new ATOM 0 HD22 LEU A 79 -5.861 -0.567 -3.380 1.00 0.16 H new ATOM 0 HD23 LEU A 79 -6.589 -0.354 -1.770 1.00 0.16 H new ATOM 1912 N SER A 80 -2.521 -1.440 0.695 1.00 0.15 N ATOM 1913 CA SER A 80 -1.445 -2.323 1.081 1.00 0.15 C ATOM 1914 C SER A 80 -1.989 -3.523 1.852 1.00 0.15 C ATOM 1915 O SER A 80 -1.459 -4.627 1.773 1.00 0.18 O ATOM 1916 CB SER A 80 -0.440 -1.541 1.896 1.00 0.17 C ATOM 1917 OG SER A 80 -0.091 -0.350 1.220 1.00 0.23 O ATOM 0 H SER A 80 -2.474 -0.502 1.093 1.00 0.15 H new ATOM 0 HA SER A 80 -0.947 -2.714 0.194 1.00 0.15 H new ATOM 0 HB2 SER A 80 -0.858 -1.304 2.874 1.00 0.17 H new ATOM 0 HB3 SER A 80 0.451 -2.146 2.068 1.00 0.17 H new ATOM 0 HG SER A 80 0.870 -0.352 1.028 1.00 0.23 H new ATOM 1923 N CYS A 81 -3.073 -3.309 2.572 1.00 0.14 N ATOM 1924 CA CYS A 81 -3.726 -4.395 3.268 1.00 0.15 C ATOM 1925 C CYS A 81 -4.627 -5.194 2.335 1.00 0.14 C ATOM 1926 O CYS A 81 -4.977 -6.337 2.634 1.00 0.16 O ATOM 1927 CB CYS A 81 -4.491 -3.863 4.466 1.00 0.17 C ATOM 1928 SG CYS A 81 -3.397 -3.234 5.755 1.00 0.22 S ATOM 0 H CYS A 81 -3.516 -2.398 2.689 1.00 0.14 H new ATOM 0 HA CYS A 81 -2.960 -5.081 3.630 1.00 0.15 H new ATOM 0 HB2 CYS A 81 -5.161 -3.067 4.142 1.00 0.17 H new ATOM 0 HB3 CYS A 81 -5.114 -4.657 4.878 1.00 0.17 H new ATOM 0 HG CYS A 81 -2.394 -2.614 5.208 1.00 0.22 H new ATOM 1934 N ILE A 82 -4.987 -4.617 1.189 1.00 0.13 N ATOM 1935 CA ILE A 82 -5.762 -5.363 0.214 1.00 0.14 C ATOM 1936 C ILE A 82 -4.821 -6.235 -0.601 1.00 0.17 C ATOM 1937 O ILE A 82 -5.250 -7.200 -1.199 1.00 0.21 O ATOM 1938 CB ILE A 82 -6.608 -4.492 -0.748 1.00 0.15 C ATOM 1939 CG1 ILE A 82 -7.341 -3.388 -0.006 1.00 0.15 C ATOM 1940 CG2 ILE A 82 -7.637 -5.356 -1.464 1.00 0.16 C ATOM 1941 CD1 ILE A 82 -8.200 -2.538 -0.914 1.00 0.18 C ATOM 0 H ILE A 82 -4.759 -3.659 0.922 1.00 0.13 H new ATOM 0 HA ILE A 82 -6.477 -5.955 0.786 1.00 0.14 H new ATOM 0 HB ILE A 82 -5.922 -4.041 -1.464 1.00 0.15 H new ATOM 0 HG12 ILE A 82 -7.968 -3.831 0.768 1.00 0.15 H new ATOM 0 HG13 ILE A 82 -6.614 -2.751 0.498 1.00 0.15 H new ATOM 0 HG21 ILE A 82 -8.227 -4.735 -2.138 1.00 0.16 H new ATOM 0 HG22 ILE A 82 -7.127 -6.130 -2.037 1.00 0.16 H new ATOM 0 HG23 ILE A 82 -8.295 -5.822 -0.730 1.00 0.16 H new ATOM 0 HD11 ILE A 82 -8.698 -1.767 -0.326 1.00 0.18 H new ATOM 0 HD12 ILE A 82 -7.574 -2.068 -1.673 1.00 0.18 H new ATOM 0 HD13 ILE A 82 -8.948 -3.165 -1.399 1.00 0.18 H new ATOM 1953 N ALA A 83 -3.533 -5.884 -0.647 1.00 0.18 N ATOM 1954 CA ALA A 83 -2.531 -6.804 -1.163 1.00 0.23 C ATOM 1955 C ALA A 83 -2.587 -8.113 -0.402 1.00 0.20 C ATOM 1956 O ALA A 83 -2.885 -9.166 -0.966 1.00 0.21 O ATOM 1957 CB ALA A 83 -1.153 -6.219 -1.023 1.00 0.30 C ATOM 0 H ALA A 83 -3.169 -4.983 -0.337 1.00 0.18 H new ATOM 0 HA ALA A 83 -2.743 -6.979 -2.218 1.00 0.23 H new ATOM 0 HB1 ALA A 83 -0.418 -6.922 -1.414 1.00 0.30 H new ATOM 0 HB2 ALA A 83 -1.096 -5.285 -1.582 1.00 0.30 H new ATOM 0 HB3 ALA A 83 -0.945 -6.025 0.029 1.00 0.30 H new ATOM 1963 N MET A 84 -2.299 -8.023 0.894 1.00 0.22 N ATOM 1964 CA MET A 84 -2.365 -9.179 1.783 1.00 0.25 C ATOM 1965 C MET A 84 -3.692 -9.900 1.615 1.00 0.24 C ATOM 1966 O MET A 84 -3.742 -11.124 1.491 1.00 0.28 O ATOM 1967 CB MET A 84 -2.209 -8.748 3.241 1.00 0.30 C ATOM 1968 CG MET A 84 -0.826 -8.236 3.594 1.00 0.34 C ATOM 1969 SD MET A 84 -0.709 -7.704 5.313 1.00 0.36 S ATOM 1970 CE MET A 84 -1.793 -6.279 5.302 1.00 0.20 C ATOM 0 H MET A 84 -2.016 -7.157 1.353 1.00 0.22 H new ATOM 0 HA MET A 84 -1.549 -9.852 1.520 1.00 0.25 H new ATOM 0 HB2 MET A 84 -2.939 -7.968 3.458 1.00 0.30 H new ATOM 0 HB3 MET A 84 -2.446 -9.594 3.886 1.00 0.30 H new ATOM 0 HG2 MET A 84 -0.093 -9.021 3.409 1.00 0.34 H new ATOM 0 HG3 MET A 84 -0.572 -7.402 2.940 1.00 0.34 H new ATOM 0 HE1 MET A 84 -1.839 -5.849 6.303 1.00 0.20 H new ATOM 0 HE2 MET A 84 -1.408 -5.535 4.605 1.00 0.20 H new ATOM 0 HE3 MET A 84 -2.792 -6.584 4.992 1.00 0.20 H new ATOM 1980 N MET A 85 -4.762 -9.120 1.590 1.00 0.25 N ATOM 1981 CA MET A 85 -6.103 -9.657 1.465 1.00 0.36 C ATOM 1982 C MET A 85 -6.317 -10.312 0.091 1.00 0.33 C ATOM 1983 O MET A 85 -6.900 -11.395 -0.002 1.00 0.43 O ATOM 1984 CB MET A 85 -7.127 -8.540 1.715 1.00 0.62 C ATOM 1985 CG MET A 85 -8.565 -9.021 1.685 1.00 0.77 C ATOM 1986 SD MET A 85 -9.376 -8.658 0.122 1.00 0.67 S ATOM 1987 CE MET A 85 -10.071 -7.049 0.487 1.00 0.30 C ATOM 0 H MET A 85 -4.723 -8.103 1.656 1.00 0.25 H new ATOM 0 HA MET A 85 -6.241 -10.437 2.214 1.00 0.36 H new ATOM 0 HB2 MET A 85 -6.925 -8.083 2.684 1.00 0.62 H new ATOM 0 HB3 MET A 85 -6.996 -7.763 0.962 1.00 0.62 H new ATOM 0 HG2 MET A 85 -8.590 -10.096 1.863 1.00 0.77 H new ATOM 0 HG3 MET A 85 -9.120 -8.551 2.497 1.00 0.77 H new ATOM 0 HE1 MET A 85 -10.503 -6.625 -0.420 1.00 0.30 H new ATOM 0 HE2 MET A 85 -10.847 -7.151 1.245 1.00 0.30 H new ATOM 0 HE3 MET A 85 -9.286 -6.389 0.858 1.00 0.30 H new ATOM 1997 N CYS A 86 -5.823 -9.669 -0.968 1.00 0.32 N ATOM 1998 CA CYS A 86 -5.987 -10.172 -2.328 1.00 0.43 C ATOM 1999 C CYS A 86 -5.217 -11.466 -2.561 1.00 0.43 C ATOM 2000 O CYS A 86 -5.618 -12.263 -3.401 1.00 0.58 O ATOM 2001 CB CYS A 86 -5.537 -9.123 -3.350 1.00 0.49 C ATOM 2002 SG CYS A 86 -5.658 -9.660 -5.073 1.00 0.57 S ATOM 0 H CYS A 86 -5.303 -8.794 -0.906 1.00 0.32 H new ATOM 0 HA CYS A 86 -7.049 -10.382 -2.458 1.00 0.43 H new ATOM 0 HB2 CYS A 86 -6.139 -8.224 -3.219 1.00 0.49 H new ATOM 0 HB3 CYS A 86 -4.504 -8.848 -3.139 1.00 0.49 H new ATOM 0 HG CYS A 86 -5.713 -10.958 -5.120 1.00 0.57 H new ATOM 2008 N ASN A 87 -4.122 -11.679 -1.830 1.00 0.36 N ATOM 2009 CA ASN A 87 -3.311 -12.891 -2.013 1.00 0.44 C ATOM 2010 C ASN A 87 -4.164 -14.137 -1.831 1.00 0.47 C ATOM 2011 O ASN A 87 -3.982 -15.135 -2.527 1.00 0.54 O ATOM 2012 CB ASN A 87 -2.129 -12.935 -1.042 1.00 0.54 C ATOM 2013 CG ASN A 87 -1.239 -14.149 -1.274 1.00 0.72 C ATOM 2014 OD1 ASN A 87 -0.303 -14.105 -2.083 1.00 1.43 O ATOM 2015 ND2 ASN A 87 -1.506 -15.233 -0.560 1.00 1.23 N ATOM 0 H ASN A 87 -3.777 -11.040 -1.114 1.00 0.36 H new ATOM 0 HA ASN A 87 -2.918 -12.864 -3.029 1.00 0.44 H new ATOM 0 HB2 ASN A 87 -1.537 -12.026 -1.151 1.00 0.54 H new ATOM 0 HB3 ASN A 87 -2.502 -12.951 -0.018 1.00 0.54 H new ATOM 0 HD21 ASN A 87 -0.931 -16.069 -0.668 1.00 1.23 H new ATOM 0 HD22 ASN A 87 -2.286 -15.231 0.097 1.00 1.23 H new ATOM 2022 N GLU A 88 -5.111 -14.056 -0.906 1.00 0.56 N ATOM 2023 CA GLU A 88 -6.025 -15.153 -0.641 1.00 0.70 C ATOM 2024 C GLU A 88 -6.787 -15.521 -1.916 1.00 0.73 C ATOM 2025 O GLU A 88 -6.894 -16.693 -2.276 1.00 0.82 O ATOM 2026 CB GLU A 88 -6.995 -14.742 0.471 1.00 0.96 C ATOM 2027 CG GLU A 88 -7.774 -15.893 1.080 1.00 1.81 C ATOM 2028 CD GLU A 88 -6.879 -16.945 1.704 1.00 2.18 C ATOM 2029 OE1 GLU A 88 -5.842 -16.578 2.297 1.00 2.60 O ATOM 2030 OE2 GLU A 88 -7.220 -18.141 1.626 1.00 2.78 O ATOM 0 H GLU A 88 -5.265 -13.233 -0.323 1.00 0.56 H new ATOM 0 HA GLU A 88 -5.464 -16.029 -0.317 1.00 0.70 H new ATOM 0 HB2 GLU A 88 -6.433 -14.242 1.260 1.00 0.96 H new ATOM 0 HB3 GLU A 88 -7.700 -14.014 0.071 1.00 0.96 H new ATOM 0 HG2 GLU A 88 -8.453 -15.504 1.839 1.00 1.81 H new ATOM 0 HG3 GLU A 88 -8.389 -16.357 0.309 1.00 1.81 H new ATOM 2285 N ALA B 2 -3.529 -0.492 -17.916 1.00 0.34 N ATOM 2286 CA ALA B 2 -4.145 -1.400 -16.974 1.00 0.30 C ATOM 2287 C ALA B 2 -5.076 -0.621 -16.068 1.00 0.27 C ATOM 2288 O ALA B 2 -5.027 0.608 -16.045 1.00 0.36 O ATOM 2289 CB ALA B 2 -3.073 -2.116 -16.164 1.00 0.30 C ATOM 0 HA ALA B 2 -4.723 -2.153 -17.510 1.00 0.30 H new ATOM 0 HB1 ALA B 2 -3.546 -2.798 -15.457 1.00 0.30 H new ATOM 0 HB2 ALA B 2 -2.426 -2.681 -16.835 1.00 0.30 H new ATOM 0 HB3 ALA B 2 -2.479 -1.383 -15.619 1.00 0.30 H new ATOM 2295 N CYS B 3 -5.927 -1.322 -15.336 1.00 0.25 N ATOM 2296 CA CYS B 3 -6.774 -0.684 -14.353 1.00 0.23 C ATOM 2297 C CYS B 3 -5.916 -0.326 -13.157 1.00 0.17 C ATOM 2298 O CYS B 3 -5.498 -1.199 -12.397 1.00 0.17 O ATOM 2299 CB CYS B 3 -7.926 -1.602 -13.958 1.00 0.28 C ATOM 2300 SG CYS B 3 -8.935 -2.140 -15.358 1.00 0.39 S ATOM 0 H CYS B 3 -6.046 -2.333 -15.407 1.00 0.25 H new ATOM 0 HA CYS B 3 -7.219 0.221 -14.767 1.00 0.23 H new ATOM 0 HB2 CYS B 3 -7.523 -2.480 -13.453 1.00 0.28 H new ATOM 0 HB3 CYS B 3 -8.562 -1.085 -13.240 1.00 0.28 H new ATOM 0 HG CYS B 3 -9.887 -2.917 -14.934 1.00 0.39 H new ATOM 2306 N PRO B 4 -5.622 0.966 -13.005 1.00 0.16 N ATOM 2307 CA PRO B 4 -4.605 1.461 -12.071 1.00 0.13 C ATOM 2308 C PRO B 4 -4.735 0.901 -10.659 1.00 0.12 C ATOM 2309 O PRO B 4 -3.843 0.200 -10.177 1.00 0.12 O ATOM 2310 CB PRO B 4 -4.873 2.961 -12.076 1.00 0.17 C ATOM 2311 CG PRO B 4 -5.369 3.228 -13.447 1.00 0.20 C ATOM 2312 CD PRO B 4 -6.267 2.071 -13.744 1.00 0.20 C ATOM 0 HA PRO B 4 -3.600 1.166 -12.372 1.00 0.13 H new ATOM 0 HB2 PRO B 4 -5.611 3.238 -11.323 1.00 0.17 H new ATOM 0 HB3 PRO B 4 -3.968 3.530 -11.860 1.00 0.17 H new ATOM 0 HG2 PRO B 4 -5.908 4.174 -13.498 1.00 0.20 H new ATOM 0 HG3 PRO B 4 -4.549 3.289 -14.162 1.00 0.20 H new ATOM 0 HD2 PRO B 4 -7.286 2.249 -13.399 1.00 0.20 H new ATOM 0 HD3 PRO B 4 -6.324 1.865 -14.813 1.00 0.20 H new ATOM 2320 N LEU B 5 -5.855 1.181 -10.012 1.00 0.13 N ATOM 2321 CA LEU B 5 -6.046 0.771 -8.629 1.00 0.14 C ATOM 2322 C LEU B 5 -6.220 -0.745 -8.552 1.00 0.16 C ATOM 2323 O LEU B 5 -5.833 -1.371 -7.571 1.00 0.22 O ATOM 2324 CB LEU B 5 -7.253 1.499 -8.028 1.00 0.15 C ATOM 2325 CG LEU B 5 -7.102 1.976 -6.581 1.00 0.16 C ATOM 2326 CD1 LEU B 5 -6.943 0.808 -5.638 1.00 0.18 C ATOM 2327 CD2 LEU B 5 -5.922 2.919 -6.436 1.00 0.17 C ATOM 0 H LEU B 5 -6.642 1.687 -10.419 1.00 0.13 H new ATOM 0 HA LEU B 5 -5.164 1.040 -8.048 1.00 0.14 H new ATOM 0 HB2 LEU B 5 -7.477 2.364 -8.652 1.00 0.15 H new ATOM 0 HB3 LEU B 5 -8.116 0.835 -8.082 1.00 0.15 H new ATOM 0 HG LEU B 5 -8.013 2.515 -6.320 1.00 0.16 H new ATOM 0 HD11 LEU B 5 -6.838 1.176 -4.617 1.00 0.18 H new ATOM 0 HD12 LEU B 5 -7.821 0.165 -5.703 1.00 0.18 H new ATOM 0 HD13 LEU B 5 -6.055 0.238 -5.911 1.00 0.18 H new ATOM 0 HD21 LEU B 5 -5.839 3.241 -5.398 1.00 0.17 H new ATOM 0 HD22 LEU B 5 -5.007 2.405 -6.730 1.00 0.17 H new ATOM 0 HD23 LEU B 5 -6.071 3.789 -7.075 1.00 0.17 H new ATOM 2339 N GLU B 6 -6.785 -1.328 -9.603 1.00 0.16 N ATOM 2340 CA GLU B 6 -6.939 -2.777 -9.692 1.00 0.20 C ATOM 2341 C GLU B 6 -5.580 -3.463 -9.609 1.00 0.18 C ATOM 2342 O GLU B 6 -5.383 -4.393 -8.819 1.00 0.23 O ATOM 2343 CB GLU B 6 -7.654 -3.143 -11.000 1.00 0.29 C ATOM 2344 CG GLU B 6 -7.799 -4.637 -11.251 1.00 0.43 C ATOM 2345 CD GLU B 6 -6.740 -5.179 -12.194 1.00 0.90 C ATOM 2346 OE1 GLU B 6 -6.872 -4.975 -13.417 1.00 1.79 O ATOM 2347 OE2 GLU B 6 -5.775 -5.812 -11.721 1.00 1.39 O ATOM 0 H GLU B 6 -7.146 -0.818 -10.409 1.00 0.16 H new ATOM 0 HA GLU B 6 -7.543 -3.123 -8.854 1.00 0.20 H new ATOM 0 HB2 GLU B 6 -8.646 -2.692 -10.994 1.00 0.29 H new ATOM 0 HB3 GLU B 6 -7.108 -2.700 -11.833 1.00 0.29 H new ATOM 0 HG2 GLU B 6 -7.740 -5.168 -10.301 1.00 0.43 H new ATOM 0 HG3 GLU B 6 -8.786 -4.837 -11.667 1.00 0.43 H new ATOM 2354 N LYS B 7 -4.643 -2.982 -10.416 1.00 0.16 N ATOM 2355 CA LYS B 7 -3.310 -3.547 -10.457 1.00 0.18 C ATOM 2356 C LYS B 7 -2.567 -3.314 -9.150 1.00 0.17 C ATOM 2357 O LYS B 7 -1.804 -4.164 -8.727 1.00 0.19 O ATOM 2358 CB LYS B 7 -2.531 -2.986 -11.652 1.00 0.25 C ATOM 2359 CG LYS B 7 -2.797 -3.759 -12.930 1.00 0.41 C ATOM 2360 CD LYS B 7 -1.978 -5.036 -12.971 1.00 0.90 C ATOM 2361 CE LYS B 7 -2.642 -6.112 -13.808 1.00 0.84 C ATOM 2362 NZ LYS B 7 -3.703 -6.824 -13.049 1.00 1.18 N ATOM 0 H LYS B 7 -4.788 -2.198 -11.052 1.00 0.16 H new ATOM 0 HA LYS B 7 -3.400 -4.626 -10.585 1.00 0.18 H new ATOM 0 HB2 LYS B 7 -2.801 -1.940 -11.800 1.00 0.25 H new ATOM 0 HB3 LYS B 7 -1.464 -3.011 -11.431 1.00 0.25 H new ATOM 0 HG2 LYS B 7 -3.858 -4.000 -13.000 1.00 0.41 H new ATOM 0 HG3 LYS B 7 -2.554 -3.138 -13.792 1.00 0.41 H new ATOM 0 HD2 LYS B 7 -0.990 -4.820 -13.377 1.00 0.90 H new ATOM 0 HD3 LYS B 7 -1.832 -5.405 -11.956 1.00 0.90 H new ATOM 0 HE2 LYS B 7 -3.074 -5.662 -14.702 1.00 0.84 H new ATOM 0 HE3 LYS B 7 -1.891 -6.828 -14.142 1.00 0.84 H new ATOM 0 HZ1 LYS B 7 -4.288 -7.377 -13.707 1.00 1.18 H new ATOM 0 HZ2 LYS B 7 -3.264 -7.462 -12.355 1.00 1.18 H new ATOM 0 HZ3 LYS B 7 -4.300 -6.131 -12.554 1.00 1.18 H new ATOM 2376 N ALA B 8 -2.828 -2.186 -8.499 1.00 0.17 N ATOM 2377 CA ALA B 8 -2.165 -1.844 -7.236 1.00 0.17 C ATOM 2378 C ALA B 8 -2.117 -3.023 -6.262 1.00 0.17 C ATOM 2379 O ALA B 8 -1.056 -3.348 -5.738 1.00 0.22 O ATOM 2380 CB ALA B 8 -2.850 -0.655 -6.580 1.00 0.18 C ATOM 0 H ALA B 8 -3.496 -1.487 -8.823 1.00 0.17 H new ATOM 0 HA ALA B 8 -1.136 -1.582 -7.480 1.00 0.17 H new ATOM 0 HB1 ALA B 8 -2.345 -0.415 -5.644 1.00 0.18 H new ATOM 0 HB2 ALA B 8 -2.804 0.205 -7.248 1.00 0.18 H new ATOM 0 HB3 ALA B 8 -3.892 -0.902 -6.377 1.00 0.18 H new ATOM 2386 N LEU B 9 -3.255 -3.677 -6.032 1.00 0.13 N ATOM 2387 CA LEU B 9 -3.300 -4.801 -5.091 1.00 0.12 C ATOM 2388 C LEU B 9 -2.780 -6.069 -5.752 1.00 0.14 C ATOM 2389 O LEU B 9 -2.035 -6.841 -5.145 1.00 0.18 O ATOM 2390 CB LEU B 9 -4.721 -5.056 -4.553 1.00 0.13 C ATOM 2391 CG LEU B 9 -5.443 -3.842 -3.960 1.00 0.13 C ATOM 2392 CD1 LEU B 9 -4.484 -3.011 -3.146 1.00 0.15 C ATOM 2393 CD2 LEU B 9 -6.096 -2.992 -5.033 1.00 0.13 C ATOM 0 H LEU B 9 -4.146 -3.455 -6.475 1.00 0.13 H new ATOM 0 HA LEU B 9 -2.663 -4.532 -4.249 1.00 0.12 H new ATOM 0 HB2 LEU B 9 -5.329 -5.455 -5.365 1.00 0.13 H new ATOM 0 HB3 LEU B 9 -4.665 -5.830 -3.787 1.00 0.13 H new ATOM 0 HG LEU B 9 -6.235 -4.215 -3.311 1.00 0.13 H new ATOM 0 HD11 LEU B 9 -5.010 -2.151 -2.730 1.00 0.15 H new ATOM 0 HD12 LEU B 9 -4.077 -3.615 -2.335 1.00 0.15 H new ATOM 0 HD13 LEU B 9 -3.671 -2.665 -3.784 1.00 0.15 H new ATOM 0 HD21 LEU B 9 -6.597 -2.142 -4.569 1.00 0.13 H new ATOM 0 HD22 LEU B 9 -5.335 -2.631 -5.725 1.00 0.13 H new ATOM 0 HD23 LEU B 9 -6.826 -3.591 -5.577 1.00 0.13 H new ATOM 2405 N ASP B 10 -3.171 -6.261 -7.003 1.00 0.14 N ATOM 2406 CA ASP B 10 -2.793 -7.445 -7.768 1.00 0.16 C ATOM 2407 C ASP B 10 -1.280 -7.570 -7.892 1.00 0.15 C ATOM 2408 O ASP B 10 -0.710 -8.638 -7.666 1.00 0.19 O ATOM 2409 CB ASP B 10 -3.433 -7.380 -9.158 1.00 0.20 C ATOM 2410 CG ASP B 10 -2.872 -8.403 -10.122 1.00 0.51 C ATOM 2411 OD1 ASP B 10 -3.097 -9.613 -9.914 1.00 1.19 O ATOM 2412 OD2 ASP B 10 -2.225 -7.997 -11.110 1.00 1.22 O ATOM 0 H ASP B 10 -3.758 -5.604 -7.517 1.00 0.14 H new ATOM 0 HA ASP B 10 -3.154 -8.326 -7.237 1.00 0.16 H new ATOM 0 HB2 ASP B 10 -4.508 -7.531 -9.063 1.00 0.20 H new ATOM 0 HB3 ASP B 10 -3.287 -6.382 -9.572 1.00 0.20 H new ATOM 2417 N VAL B 11 -0.633 -6.468 -8.226 1.00 0.15 N ATOM 2418 CA VAL B 11 0.796 -6.473 -8.479 1.00 0.16 C ATOM 2419 C VAL B 11 1.600 -6.616 -7.198 1.00 0.16 C ATOM 2420 O VAL B 11 2.736 -7.085 -7.242 1.00 0.20 O ATOM 2421 CB VAL B 11 1.253 -5.203 -9.214 1.00 0.18 C ATOM 2422 CG1 VAL B 11 0.419 -4.991 -10.464 1.00 0.21 C ATOM 2423 CG2 VAL B 11 1.193 -3.991 -8.296 1.00 0.17 C ATOM 0 H VAL B 11 -1.077 -5.555 -8.329 1.00 0.15 H new ATOM 0 HA VAL B 11 0.982 -7.339 -9.114 1.00 0.16 H new ATOM 0 HB VAL B 11 2.292 -5.332 -9.516 1.00 0.18 H new ATOM 0 HG11 VAL B 11 0.753 -4.088 -10.975 1.00 0.21 H new ATOM 0 HG12 VAL B 11 0.534 -5.848 -11.128 1.00 0.21 H new ATOM 0 HG13 VAL B 11 -0.630 -4.885 -10.188 1.00 0.21 H new ATOM 0 HG21 VAL B 11 1.521 -3.106 -8.840 1.00 0.17 H new ATOM 0 HG22 VAL B 11 0.169 -3.846 -7.951 1.00 0.17 H new ATOM 0 HG23 VAL B 11 1.845 -4.152 -7.438 1.00 0.17 H new ATOM 2433 N MET B 12 1.025 -6.210 -6.066 1.00 0.16 N ATOM 2434 CA MET B 12 1.703 -6.361 -4.783 1.00 0.20 C ATOM 2435 C MET B 12 2.083 -7.812 -4.570 1.00 0.23 C ATOM 2436 O MET B 12 3.256 -8.138 -4.459 1.00 0.39 O ATOM 2437 CB MET B 12 0.835 -5.897 -3.619 1.00 0.27 C ATOM 2438 CG MET B 12 0.650 -4.395 -3.539 1.00 0.16 C ATOM 2439 SD MET B 12 0.526 -3.824 -1.840 1.00 0.78 S ATOM 2440 CE MET B 12 0.078 -2.124 -2.084 1.00 0.19 C ATOM 0 H MET B 12 0.102 -5.779 -6.013 1.00 0.16 H new ATOM 0 HA MET B 12 2.595 -5.735 -4.811 1.00 0.20 H new ATOM 0 HB2 MET B 12 -0.145 -6.368 -3.701 1.00 0.27 H new ATOM 0 HB3 MET B 12 1.280 -6.247 -2.687 1.00 0.27 H new ATOM 0 HG2 MET B 12 1.489 -3.900 -4.028 1.00 0.16 H new ATOM 0 HG3 MET B 12 -0.250 -4.111 -4.084 1.00 0.16 H new ATOM 0 HE1 MET B 12 0.674 -1.493 -1.425 1.00 0.19 H new ATOM 0 HE2 MET B 12 0.264 -1.844 -3.121 1.00 0.19 H new ATOM 0 HE3 MET B 12 -0.979 -1.990 -1.856 1.00 0.19 H new ATOM 2450 N VAL B 13 1.083 -8.684 -4.572 1.00 0.18 N ATOM 2451 CA VAL B 13 1.306 -10.098 -4.305 1.00 0.19 C ATOM 2452 C VAL B 13 1.923 -10.815 -5.505 1.00 0.19 C ATOM 2453 O VAL B 13 2.588 -11.839 -5.347 1.00 0.25 O ATOM 2454 CB VAL B 13 0.008 -10.807 -3.870 1.00 0.20 C ATOM 2455 CG1 VAL B 13 -0.460 -10.250 -2.542 1.00 0.21 C ATOM 2456 CG2 VAL B 13 -1.087 -10.666 -4.915 1.00 0.22 C ATOM 0 H VAL B 13 0.111 -8.437 -4.755 1.00 0.18 H new ATOM 0 HA VAL B 13 2.017 -10.148 -3.480 1.00 0.19 H new ATOM 0 HB VAL B 13 0.224 -11.870 -3.763 1.00 0.20 H new ATOM 0 HG11 VAL B 13 -1.378 -10.754 -2.239 1.00 0.21 H new ATOM 0 HG12 VAL B 13 0.310 -10.413 -1.788 1.00 0.21 H new ATOM 0 HG13 VAL B 13 -0.649 -9.181 -2.642 1.00 0.21 H new ATOM 0 HG21 VAL B 13 -1.986 -11.179 -4.572 1.00 0.22 H new ATOM 0 HG22 VAL B 13 -1.309 -9.610 -5.070 1.00 0.22 H new ATOM 0 HG23 VAL B 13 -0.753 -11.108 -5.854 1.00 0.22 H new ATOM 2466 N SER B 14 1.722 -10.272 -6.698 1.00 0.18 N ATOM 2467 CA SER B 14 2.320 -10.844 -7.896 1.00 0.21 C ATOM 2468 C SER B 14 3.825 -10.578 -7.924 1.00 0.23 C ATOM 2469 O SER B 14 4.622 -11.510 -8.036 1.00 0.26 O ATOM 2470 CB SER B 14 1.651 -10.283 -9.149 1.00 0.23 C ATOM 2471 OG SER B 14 0.271 -10.610 -9.171 1.00 1.12 O ATOM 0 H SER B 14 1.153 -9.441 -6.862 1.00 0.18 H new ATOM 0 HA SER B 14 2.163 -11.923 -7.878 1.00 0.21 H new ATOM 0 HB2 SER B 14 1.774 -9.200 -9.179 1.00 0.23 H new ATOM 0 HB3 SER B 14 2.139 -10.683 -10.038 1.00 0.23 H new ATOM 0 HG SER B 14 -0.252 -9.843 -8.856 1.00 1.12 H new ATOM 2477 N THR B 15 4.207 -9.312 -7.795 1.00 0.24 N ATOM 2478 CA THR B 15 5.616 -8.930 -7.763 1.00 0.26 C ATOM 2479 C THR B 15 6.272 -9.496 -6.506 1.00 0.28 C ATOM 2480 O THR B 15 7.457 -9.832 -6.495 1.00 0.31 O ATOM 2481 CB THR B 15 5.767 -7.395 -7.785 1.00 0.27 C ATOM 2482 OG1 THR B 15 4.940 -6.844 -8.821 1.00 0.33 O ATOM 2483 CG2 THR B 15 7.212 -6.976 -8.022 1.00 0.25 C ATOM 0 H THR B 15 3.558 -8.529 -7.711 1.00 0.24 H new ATOM 0 HA THR B 15 6.107 -9.337 -8.647 1.00 0.26 H new ATOM 0 HB THR B 15 5.457 -7.016 -6.811 1.00 0.27 H new ATOM 0 HG1 THR B 15 4.016 -6.777 -8.501 1.00 0.33 H new ATOM 0 HG21 THR B 15 7.279 -5.888 -8.031 1.00 0.25 H new ATOM 0 HG22 THR B 15 7.841 -7.371 -7.224 1.00 0.25 H new ATOM 0 HG23 THR B 15 7.552 -7.368 -8.980 1.00 0.25 H new ATOM 2491 N PHE B 16 5.460 -9.605 -5.459 1.00 0.30 N ATOM 2492 CA PHE B 16 5.857 -10.194 -4.187 1.00 0.36 C ATOM 2493 C PHE B 16 6.557 -11.531 -4.392 1.00 0.40 C ATOM 2494 O PHE B 16 7.745 -11.661 -4.109 1.00 0.51 O ATOM 2495 CB PHE B 16 4.601 -10.383 -3.334 1.00 0.44 C ATOM 2496 CG PHE B 16 4.828 -10.830 -1.923 1.00 0.34 C ATOM 2497 CD1 PHE B 16 5.450 -9.999 -1.012 1.00 1.27 C ATOM 2498 CD2 PHE B 16 4.380 -12.067 -1.500 1.00 1.21 C ATOM 2499 CE1 PHE B 16 5.626 -10.396 0.299 1.00 1.42 C ATOM 2500 CE2 PHE B 16 4.556 -12.470 -0.197 1.00 1.38 C ATOM 2501 CZ PHE B 16 5.179 -11.631 0.705 1.00 0.97 C ATOM 0 H PHE B 16 4.493 -9.281 -5.472 1.00 0.30 H new ATOM 0 HA PHE B 16 6.562 -9.530 -3.686 1.00 0.36 H new ATOM 0 HB2 PHE B 16 4.055 -9.440 -3.312 1.00 0.44 H new ATOM 0 HB3 PHE B 16 3.958 -11.112 -3.826 1.00 0.44 H new ATOM 0 HD1 PHE B 16 5.803 -9.028 -1.328 1.00 1.27 H new ATOM 0 HD2 PHE B 16 3.886 -12.724 -2.200 1.00 1.21 H new ATOM 0 HE1 PHE B 16 6.113 -9.738 1.003 1.00 1.42 H new ATOM 0 HE2 PHE B 16 4.207 -13.442 0.120 1.00 1.38 H new ATOM 0 HZ PHE B 16 5.315 -11.945 1.729 1.00 0.97 H new ATOM 2511 N HIS B 17 5.826 -12.505 -4.926 1.00 0.41 N ATOM 2512 CA HIS B 17 6.333 -13.873 -5.055 1.00 0.51 C ATOM 2513 C HIS B 17 7.483 -13.963 -6.058 1.00 0.45 C ATOM 2514 O HIS B 17 8.300 -14.880 -5.984 1.00 0.51 O ATOM 2515 CB HIS B 17 5.212 -14.833 -5.469 1.00 0.68 C ATOM 2516 CG HIS B 17 4.101 -14.948 -4.468 1.00 1.09 C ATOM 2517 ND1 HIS B 17 4.308 -15.204 -3.128 1.00 2.16 N ATOM 2518 CD2 HIS B 17 2.758 -14.833 -4.618 1.00 1.26 C ATOM 2519 CE1 HIS B 17 3.146 -15.245 -2.504 1.00 2.82 C ATOM 2520 NE2 HIS B 17 2.190 -15.019 -3.382 1.00 2.30 N ATOM 0 H HIS B 17 4.878 -12.375 -5.278 1.00 0.41 H new ATOM 0 HA HIS B 17 6.713 -14.164 -4.076 1.00 0.51 H new ATOM 0 HB2 HIS B 17 4.796 -14.500 -6.420 1.00 0.68 H new ATOM 0 HB3 HIS B 17 5.639 -15.822 -5.637 1.00 0.68 H new ATOM 0 HD2 HIS B 17 2.232 -14.632 -5.540 1.00 1.26 H new ATOM 0 HE1 HIS B 17 3.003 -15.432 -1.450 1.00 2.82 H new ATOM 0 HE2 HIS B 17 1.191 -14.987 -3.177 1.00 2.30 H new ATOM 2529 N LYS B 18 7.548 -13.009 -6.984 1.00 0.42 N ATOM 2530 CA LYS B 18 8.585 -13.013 -8.012 1.00 0.46 C ATOM 2531 C LYS B 18 9.977 -12.907 -7.400 1.00 0.45 C ATOM 2532 O LYS B 18 10.854 -13.728 -7.673 1.00 0.62 O ATOM 2533 CB LYS B 18 8.406 -11.846 -8.985 1.00 0.55 C ATOM 2534 CG LYS B 18 7.099 -11.847 -9.755 1.00 0.76 C ATOM 2535 CD LYS B 18 7.064 -10.691 -10.739 1.00 0.71 C ATOM 2536 CE LYS B 18 5.724 -10.581 -11.440 1.00 1.40 C ATOM 2537 NZ LYS B 18 5.722 -9.479 -12.435 1.00 1.67 N ATOM 0 H LYS B 18 6.897 -12.226 -7.043 1.00 0.42 H new ATOM 0 HA LYS B 18 8.488 -13.959 -8.544 1.00 0.46 H new ATOM 0 HB2 LYS B 18 8.481 -10.913 -8.427 1.00 0.55 H new ATOM 0 HB3 LYS B 18 9.230 -11.858 -9.698 1.00 0.55 H new ATOM 0 HG2 LYS B 18 6.984 -12.791 -10.288 1.00 0.76 H new ATOM 0 HG3 LYS B 18 6.261 -11.769 -9.062 1.00 0.76 H new ATOM 0 HD2 LYS B 18 7.275 -9.760 -10.212 1.00 0.71 H new ATOM 0 HD3 LYS B 18 7.851 -10.823 -11.481 1.00 0.71 H new ATOM 0 HE2 LYS B 18 5.494 -11.523 -11.938 1.00 1.40 H new ATOM 0 HE3 LYS B 18 4.939 -10.409 -10.703 1.00 1.40 H new ATOM 0 HZ1 LYS B 18 4.792 -9.430 -12.897 1.00 1.67 H new ATOM 0 HZ2 LYS B 18 5.918 -8.577 -11.955 1.00 1.67 H new ATOM 0 HZ3 LYS B 18 6.455 -9.656 -13.151 1.00 1.67 H new ATOM 2551 N TYR B 19 10.170 -11.892 -6.571 1.00 0.39 N ATOM 2552 CA TYR B 19 11.496 -11.560 -6.070 1.00 0.43 C ATOM 2553 C TYR B 19 11.771 -12.191 -4.711 1.00 0.50 C ATOM 2554 O TYR B 19 12.923 -12.376 -4.344 1.00 0.74 O ATOM 2555 CB TYR B 19 11.665 -10.042 -5.995 1.00 0.46 C ATOM 2556 CG TYR B 19 11.514 -9.350 -7.334 1.00 0.41 C ATOM 2557 CD1 TYR B 19 10.266 -8.958 -7.797 1.00 1.17 C ATOM 2558 CD2 TYR B 19 12.618 -9.085 -8.135 1.00 1.17 C ATOM 2559 CE1 TYR B 19 10.120 -8.325 -9.015 1.00 1.17 C ATOM 2560 CE2 TYR B 19 12.479 -8.448 -9.357 1.00 1.21 C ATOM 2561 CZ TYR B 19 11.224 -8.071 -9.789 1.00 0.50 C ATOM 2562 OH TYR B 19 11.072 -7.431 -10.999 1.00 0.61 O ATOM 0 H TYR B 19 9.425 -11.284 -6.231 1.00 0.39 H new ATOM 0 HA TYR B 19 12.223 -11.971 -6.770 1.00 0.43 H new ATOM 0 HB2 TYR B 19 10.929 -9.636 -5.300 1.00 0.46 H new ATOM 0 HB3 TYR B 19 12.649 -9.814 -5.586 1.00 0.46 H new ATOM 0 HD1 TYR B 19 9.392 -9.152 -7.193 1.00 1.17 H new ATOM 0 HD2 TYR B 19 13.601 -9.381 -7.799 1.00 1.17 H new ATOM 0 HE1 TYR B 19 9.139 -8.030 -9.358 1.00 1.17 H new ATOM 0 HE2 TYR B 19 13.347 -8.248 -9.968 1.00 1.21 H new ATOM 0 HH TYR B 19 10.332 -6.792 -10.940 1.00 0.61 H new ATOM 2572 N SER B 20 10.722 -12.518 -3.966 1.00 0.41 N ATOM 2573 CA SER B 20 10.899 -13.169 -2.671 1.00 0.48 C ATOM 2574 C SER B 20 11.267 -14.633 -2.868 1.00 0.57 C ATOM 2575 O SER B 20 12.205 -15.137 -2.253 1.00 0.70 O ATOM 2576 CB SER B 20 9.632 -13.047 -1.833 1.00 0.49 C ATOM 2577 OG SER B 20 8.508 -13.524 -2.548 1.00 0.53 O ATOM 0 H SER B 20 9.752 -12.347 -4.230 1.00 0.41 H new ATOM 0 HA SER B 20 11.710 -12.672 -2.139 1.00 0.48 H new ATOM 0 HB2 SER B 20 9.747 -13.612 -0.908 1.00 0.49 H new ATOM 0 HB3 SER B 20 9.475 -12.005 -1.553 1.00 0.49 H new ATOM 0 HG SER B 20 8.131 -12.798 -3.087 1.00 0.53 H new ATOM 2583 N GLY B 21 10.536 -15.307 -3.756 1.00 0.57 N ATOM 2584 CA GLY B 21 10.823 -16.694 -4.066 1.00 0.68 C ATOM 2585 C GLY B 21 12.022 -16.836 -4.984 1.00 0.71 C ATOM 2586 O GLY B 21 12.028 -17.659 -5.902 1.00 0.86 O ATOM 0 H GLY B 21 9.747 -14.912 -4.267 1.00 0.57 H new ATOM 0 HA2 GLY B 21 11.008 -17.241 -3.142 1.00 0.68 H new ATOM 0 HA3 GLY B 21 9.951 -17.148 -4.536 1.00 0.68 H new ATOM 2688 N LYS B 28 8.944 -13.925 1.981 1.00 0.69 N ATOM 2689 CA LYS B 28 9.968 -13.179 2.698 1.00 0.68 C ATOM 2690 C LYS B 28 10.935 -12.523 1.728 1.00 0.50 C ATOM 2691 O LYS B 28 11.623 -13.197 0.967 1.00 0.54 O ATOM 2692 CB LYS B 28 10.751 -14.083 3.648 1.00 0.92 C ATOM 2693 CG LYS B 28 9.963 -14.546 4.858 1.00 0.93 C ATOM 2694 CD LYS B 28 9.490 -13.364 5.686 1.00 0.98 C ATOM 2695 CE LYS B 28 9.122 -13.776 7.099 1.00 1.51 C ATOM 2696 NZ LYS B 28 7.947 -14.685 7.136 1.00 1.98 N ATOM 0 HA LYS B 28 9.459 -12.411 3.280 1.00 0.68 H new ATOM 0 HB2 LYS B 28 11.096 -14.958 3.097 1.00 0.92 H new ATOM 0 HB3 LYS B 28 11.639 -13.550 3.989 1.00 0.92 H new ATOM 0 HG2 LYS B 28 9.104 -15.134 4.534 1.00 0.93 H new ATOM 0 HG3 LYS B 28 10.583 -15.199 5.472 1.00 0.93 H new ATOM 0 HD2 LYS B 28 10.274 -12.608 5.721 1.00 0.98 H new ATOM 0 HD3 LYS B 28 8.626 -12.906 5.205 1.00 0.98 H new ATOM 0 HE2 LYS B 28 9.975 -14.270 7.564 1.00 1.51 H new ATOM 0 HE3 LYS B 28 8.908 -12.886 7.690 1.00 1.51 H new ATOM 0 HZ1 LYS B 28 7.693 -14.884 8.125 1.00 1.98 H new ATOM 0 HZ2 LYS B 28 7.143 -14.233 6.656 1.00 1.98 H new ATOM 0 HZ3 LYS B 28 8.182 -15.576 6.653 1.00 1.98 H new ATOM 2710 N LEU B 29 10.996 -11.207 1.764 1.00 0.38 N ATOM 2711 CA LEU B 29 11.946 -10.486 0.942 1.00 0.32 C ATOM 2712 C LEU B 29 13.045 -9.899 1.797 1.00 0.33 C ATOM 2713 O LEU B 29 12.821 -8.941 2.534 1.00 0.42 O ATOM 2714 CB LEU B 29 11.276 -9.367 0.145 1.00 0.29 C ATOM 2715 CG LEU B 29 10.309 -9.822 -0.941 1.00 0.29 C ATOM 2716 CD1 LEU B 29 8.908 -9.967 -0.379 1.00 0.34 C ATOM 2717 CD2 LEU B 29 10.333 -8.850 -2.106 1.00 0.31 C ATOM 0 H LEU B 29 10.403 -10.619 2.349 1.00 0.38 H new ATOM 0 HA LEU B 29 12.368 -11.203 0.238 1.00 0.32 H new ATOM 0 HB2 LEU B 29 10.737 -8.723 0.840 1.00 0.29 H new ATOM 0 HB3 LEU B 29 12.053 -8.758 -0.317 1.00 0.29 H new ATOM 0 HG LEU B 29 10.626 -10.799 -1.306 1.00 0.29 H new ATOM 0 HD11 LEU B 29 8.231 -10.293 -1.169 1.00 0.34 H new ATOM 0 HD12 LEU B 29 8.912 -10.706 0.423 1.00 0.34 H new ATOM 0 HD13 LEU B 29 8.572 -9.007 0.014 1.00 0.34 H new ATOM 0 HD21 LEU B 29 9.638 -9.187 -2.875 1.00 0.31 H new ATOM 0 HD22 LEU B 29 10.039 -7.859 -1.759 1.00 0.31 H new ATOM 0 HD23 LEU B 29 11.340 -8.805 -2.522 1.00 0.31 H new ATOM 2729 N ASN B 30 14.224 -10.485 1.717 1.00 0.31 N ATOM 2730 CA ASN B 30 15.376 -9.919 2.387 1.00 0.31 C ATOM 2731 C ASN B 30 15.952 -8.798 1.539 1.00 0.27 C ATOM 2732 O ASN B 30 15.355 -8.403 0.533 1.00 0.26 O ATOM 2733 CB ASN B 30 16.451 -10.974 2.676 1.00 0.35 C ATOM 2734 CG ASN B 30 17.125 -11.492 1.431 1.00 0.58 C ATOM 2735 OD1 ASN B 30 18.103 -10.916 0.955 1.00 1.17 O ATOM 2736 ND2 ASN B 30 16.629 -12.598 0.916 1.00 0.60 N ATOM 0 H ASN B 30 14.408 -11.345 1.200 1.00 0.31 H new ATOM 0 HA ASN B 30 15.047 -9.525 3.349 1.00 0.31 H new ATOM 0 HB2 ASN B 30 17.204 -10.545 3.337 1.00 0.35 H new ATOM 0 HB3 ASN B 30 15.997 -11.809 3.210 1.00 0.35 H new ATOM 0 HD21 ASN B 30 17.058 -13.012 0.088 1.00 0.60 H new ATOM 0 HD22 ASN B 30 15.816 -13.041 1.345 1.00 0.60 H new ATOM 2743 N LYS B 31 17.098 -8.287 1.961 1.00 0.27 N ATOM 2744 CA LYS B 31 17.737 -7.148 1.316 1.00 0.26 C ATOM 2745 C LYS B 31 17.779 -7.286 -0.211 1.00 0.25 C ATOM 2746 O LYS B 31 17.299 -6.414 -0.929 1.00 0.28 O ATOM 2747 CB LYS B 31 19.161 -6.982 1.847 1.00 0.29 C ATOM 2748 CG LYS B 31 19.231 -6.755 3.346 1.00 0.40 C ATOM 2749 CD LYS B 31 20.670 -6.727 3.832 1.00 0.49 C ATOM 2750 CE LYS B 31 20.754 -6.438 5.320 1.00 1.20 C ATOM 2751 NZ LYS B 31 22.130 -6.630 5.844 1.00 1.72 N ATOM 0 H LYS B 31 17.613 -8.651 2.763 1.00 0.27 H new ATOM 0 HA LYS B 31 17.138 -6.269 1.553 1.00 0.26 H new ATOM 0 HB2 LYS B 31 19.739 -7.871 1.596 1.00 0.29 H new ATOM 0 HB3 LYS B 31 19.633 -6.141 1.339 1.00 0.29 H new ATOM 0 HG2 LYS B 31 18.742 -5.814 3.597 1.00 0.40 H new ATOM 0 HG3 LYS B 31 18.686 -7.545 3.862 1.00 0.40 H new ATOM 0 HD2 LYS B 31 21.145 -7.685 3.620 1.00 0.49 H new ATOM 0 HD3 LYS B 31 21.225 -5.967 3.282 1.00 0.49 H new ATOM 0 HE2 LYS B 31 20.433 -5.414 5.510 1.00 1.20 H new ATOM 0 HE3 LYS B 31 20.067 -7.092 5.856 1.00 1.20 H new ATOM 0 HZ1 LYS B 31 22.145 -6.423 6.863 1.00 1.72 H new ATOM 0 HZ2 LYS B 31 22.427 -7.614 5.686 1.00 1.72 H new ATOM 0 HZ3 LYS B 31 22.782 -5.988 5.350 1.00 1.72 H new ATOM 2765 N SER B 32 18.324 -8.393 -0.701 1.00 0.25 N ATOM 2766 CA SER B 32 18.549 -8.563 -2.133 1.00 0.27 C ATOM 2767 C SER B 32 17.242 -8.747 -2.903 1.00 0.24 C ATOM 2768 O SER B 32 17.139 -8.355 -4.070 1.00 0.27 O ATOM 2769 CB SER B 32 19.478 -9.754 -2.376 1.00 0.35 C ATOM 2770 OG SER B 32 19.030 -10.902 -1.675 1.00 1.27 O ATOM 0 H SER B 32 18.618 -9.185 -0.130 1.00 0.25 H new ATOM 0 HA SER B 32 19.018 -7.651 -2.504 1.00 0.27 H new ATOM 0 HB2 SER B 32 19.525 -9.971 -3.443 1.00 0.35 H new ATOM 0 HB3 SER B 32 20.489 -9.501 -2.058 1.00 0.35 H new ATOM 0 HG SER B 32 18.355 -11.369 -2.210 1.00 1.27 H new ATOM 2776 N GLU B 33 16.241 -9.320 -2.248 1.00 0.25 N ATOM 2777 CA GLU B 33 14.975 -9.606 -2.907 1.00 0.27 C ATOM 2778 C GLU B 33 14.221 -8.306 -3.130 1.00 0.24 C ATOM 2779 O GLU B 33 13.737 -8.028 -4.230 1.00 0.26 O ATOM 2780 CB GLU B 33 14.121 -10.564 -2.073 1.00 0.34 C ATOM 2781 CG GLU B 33 14.901 -11.690 -1.410 1.00 0.47 C ATOM 2782 CD GLU B 33 15.733 -12.525 -2.370 1.00 0.83 C ATOM 2783 OE1 GLU B 33 16.872 -12.114 -2.687 1.00 1.65 O ATOM 2784 OE2 GLU B 33 15.268 -13.607 -2.780 1.00 1.43 O ATOM 0 H GLU B 33 16.281 -9.594 -1.266 1.00 0.25 H new ATOM 0 HA GLU B 33 15.182 -10.085 -3.864 1.00 0.27 H new ATOM 0 HB2 GLU B 33 13.605 -9.993 -1.301 1.00 0.34 H new ATOM 0 HB3 GLU B 33 13.354 -10.999 -2.714 1.00 0.34 H new ATOM 0 HG2 GLU B 33 15.560 -11.263 -0.653 1.00 0.47 H new ATOM 0 HG3 GLU B 33 14.201 -12.344 -0.891 1.00 0.47 H new ATOM 2791 N LEU B 34 14.141 -7.505 -2.071 1.00 0.21 N ATOM 2792 CA LEU B 34 13.553 -6.179 -2.159 1.00 0.21 C ATOM 2793 C LEU B 34 14.339 -5.319 -3.128 1.00 0.20 C ATOM 2794 O LEU B 34 13.763 -4.592 -3.931 1.00 0.24 O ATOM 2795 CB LEU B 34 13.526 -5.514 -0.786 1.00 0.21 C ATOM 2796 CG LEU B 34 12.342 -5.891 0.090 1.00 0.21 C ATOM 2797 CD1 LEU B 34 12.562 -5.400 1.510 1.00 0.24 C ATOM 2798 CD2 LEU B 34 11.068 -5.296 -0.485 1.00 0.21 C ATOM 0 H LEU B 34 14.478 -7.755 -1.141 1.00 0.21 H new ATOM 0 HA LEU B 34 12.530 -6.282 -2.522 1.00 0.21 H new ATOM 0 HB2 LEU B 34 14.445 -5.769 -0.258 1.00 0.21 H new ATOM 0 HB3 LEU B 34 13.527 -4.433 -0.923 1.00 0.21 H new ATOM 0 HG LEU B 34 12.246 -6.977 0.112 1.00 0.21 H new ATOM 0 HD11 LEU B 34 11.707 -5.676 2.127 1.00 0.24 H new ATOM 0 HD12 LEU B 34 13.465 -5.855 1.917 1.00 0.24 H new ATOM 0 HD13 LEU B 34 12.672 -4.316 1.507 1.00 0.24 H new ATOM 0 HD21 LEU B 34 10.222 -5.569 0.146 1.00 0.21 H new ATOM 0 HD22 LEU B 34 11.158 -4.210 -0.522 1.00 0.21 H new ATOM 0 HD23 LEU B 34 10.909 -5.681 -1.492 1.00 0.21 H new ATOM 2810 N LYS B 35 15.659 -5.425 -3.041 1.00 0.21 N ATOM 2811 CA LYS B 35 16.556 -4.685 -3.909 1.00 0.26 C ATOM 2812 C LYS B 35 16.152 -4.824 -5.363 1.00 0.22 C ATOM 2813 O LYS B 35 15.826 -3.839 -6.013 1.00 0.24 O ATOM 2814 CB LYS B 35 17.989 -5.177 -3.722 1.00 0.37 C ATOM 2815 CG LYS B 35 19.005 -4.400 -4.531 1.00 0.54 C ATOM 2816 CD LYS B 35 20.420 -4.825 -4.184 1.00 0.68 C ATOM 2817 CE LYS B 35 21.434 -3.812 -4.676 1.00 0.61 C ATOM 2818 NZ LYS B 35 22.825 -4.213 -4.348 1.00 0.95 N ATOM 0 H LYS B 35 16.134 -6.026 -2.367 1.00 0.21 H new ATOM 0 HA LYS B 35 16.494 -3.631 -3.637 1.00 0.26 H new ATOM 0 HB2 LYS B 35 18.252 -5.113 -2.666 1.00 0.37 H new ATOM 0 HB3 LYS B 35 18.043 -6.229 -4.001 1.00 0.37 H new ATOM 0 HG2 LYS B 35 18.825 -4.558 -5.594 1.00 0.54 H new ATOM 0 HG3 LYS B 35 18.886 -3.333 -4.342 1.00 0.54 H new ATOM 0 HD2 LYS B 35 20.513 -4.941 -3.104 1.00 0.68 H new ATOM 0 HD3 LYS B 35 20.629 -5.798 -4.628 1.00 0.68 H new ATOM 0 HE2 LYS B 35 21.335 -3.695 -5.755 1.00 0.61 H new ATOM 0 HE3 LYS B 35 21.222 -2.841 -4.229 1.00 0.61 H new ATOM 0 HZ1 LYS B 35 23.421 -3.365 -4.268 1.00 0.95 H new ATOM 0 HZ2 LYS B 35 22.834 -4.729 -3.445 1.00 0.95 H new ATOM 0 HZ3 LYS B 35 23.196 -4.827 -5.101 1.00 0.95 H new ATOM 2832 N GLU B 36 16.139 -6.053 -5.856 1.00 0.22 N ATOM 2833 CA GLU B 36 15.844 -6.292 -7.258 1.00 0.24 C ATOM 2834 C GLU B 36 14.441 -5.810 -7.596 1.00 0.25 C ATOM 2835 O GLU B 36 14.210 -5.234 -8.659 1.00 0.32 O ATOM 2836 CB GLU B 36 15.971 -7.767 -7.593 1.00 0.28 C ATOM 2837 CG GLU B 36 16.134 -8.009 -9.080 1.00 0.65 C ATOM 2838 CD GLU B 36 16.276 -9.470 -9.439 1.00 0.77 C ATOM 2839 OE1 GLU B 36 17.338 -10.058 -9.148 1.00 1.30 O ATOM 2840 OE2 GLU B 36 15.342 -10.030 -10.049 1.00 1.48 O ATOM 0 H GLU B 36 16.328 -6.894 -5.310 1.00 0.22 H new ATOM 0 HA GLU B 36 16.567 -5.734 -7.853 1.00 0.24 H new ATOM 0 HB2 GLU B 36 16.827 -8.185 -7.064 1.00 0.28 H new ATOM 0 HB3 GLU B 36 15.087 -8.295 -7.236 1.00 0.28 H new ATOM 0 HG2 GLU B 36 15.272 -7.596 -9.604 1.00 0.65 H new ATOM 0 HG3 GLU B 36 17.012 -7.469 -9.434 1.00 0.65 H new ATOM 2847 N LEU B 37 13.517 -6.038 -6.679 1.00 0.23 N ATOM 2848 CA LEU B 37 12.140 -5.589 -6.840 1.00 0.26 C ATOM 2849 C LEU B 37 12.107 -4.079 -7.068 1.00 0.22 C ATOM 2850 O LEU B 37 11.523 -3.596 -8.042 1.00 0.22 O ATOM 2851 CB LEU B 37 11.336 -5.960 -5.593 1.00 0.32 C ATOM 2852 CG LEU B 37 9.815 -5.923 -5.742 1.00 0.41 C ATOM 2853 CD1 LEU B 37 9.187 -7.058 -4.950 1.00 0.34 C ATOM 2854 CD2 LEU B 37 9.265 -4.591 -5.264 1.00 0.74 C ATOM 0 H LEU B 37 13.695 -6.536 -5.807 1.00 0.23 H new ATOM 0 HA LEU B 37 11.696 -6.078 -7.707 1.00 0.26 H new ATOM 0 HB2 LEU B 37 11.627 -6.964 -5.283 1.00 0.32 H new ATOM 0 HB3 LEU B 37 11.619 -5.283 -4.787 1.00 0.32 H new ATOM 0 HG LEU B 37 9.567 -6.043 -6.797 1.00 0.41 H new ATOM 0 HD11 LEU B 37 8.103 -7.024 -5.062 1.00 0.34 H new ATOM 0 HD12 LEU B 37 9.560 -8.012 -5.323 1.00 0.34 H new ATOM 0 HD13 LEU B 37 9.446 -6.954 -3.896 1.00 0.34 H new ATOM 0 HD21 LEU B 37 8.181 -4.583 -5.378 1.00 0.74 H new ATOM 0 HD22 LEU B 37 9.521 -4.447 -4.214 1.00 0.74 H new ATOM 0 HD23 LEU B 37 9.698 -3.785 -5.856 1.00 0.74 H new ATOM 2866 N LEU B 38 12.766 -3.349 -6.178 1.00 0.19 N ATOM 2867 CA LEU B 38 12.841 -1.900 -6.274 1.00 0.19 C ATOM 2868 C LEU B 38 13.630 -1.462 -7.508 1.00 0.19 C ATOM 2869 O LEU B 38 13.234 -0.536 -8.195 1.00 0.21 O ATOM 2870 CB LEU B 38 13.453 -1.300 -5.000 1.00 0.19 C ATOM 2871 CG LEU B 38 12.484 -1.111 -3.824 1.00 0.19 C ATOM 2872 CD1 LEU B 38 12.927 -1.936 -2.627 1.00 0.20 C ATOM 2873 CD2 LEU B 38 12.387 0.361 -3.440 1.00 0.20 C ATOM 0 H LEU B 38 13.259 -3.742 -5.376 1.00 0.19 H new ATOM 0 HA LEU B 38 11.823 -1.524 -6.378 1.00 0.19 H new ATOM 0 HB2 LEU B 38 14.271 -1.943 -4.674 1.00 0.19 H new ATOM 0 HB3 LEU B 38 13.888 -0.332 -5.248 1.00 0.19 H new ATOM 0 HG LEU B 38 11.498 -1.455 -4.138 1.00 0.19 H new ATOM 0 HD11 LEU B 38 12.227 -1.788 -1.804 1.00 0.20 H new ATOM 0 HD12 LEU B 38 12.948 -2.991 -2.900 1.00 0.20 H new ATOM 0 HD13 LEU B 38 13.923 -1.621 -2.317 1.00 0.20 H new ATOM 0 HD21 LEU B 38 11.696 0.474 -2.605 1.00 0.20 H new ATOM 0 HD22 LEU B 38 13.372 0.727 -3.148 1.00 0.20 H new ATOM 0 HD23 LEU B 38 12.024 0.936 -4.292 1.00 0.20 H new ATOM 2885 N THR B 39 14.731 -2.141 -7.811 1.00 0.20 N ATOM 2886 CA THR B 39 15.553 -1.766 -8.964 1.00 0.22 C ATOM 2887 C THR B 39 14.774 -1.890 -10.268 1.00 0.23 C ATOM 2888 O THR B 39 15.022 -1.159 -11.230 1.00 0.27 O ATOM 2889 CB THR B 39 16.834 -2.622 -9.078 1.00 0.25 C ATOM 2890 OG1 THR B 39 16.503 -4.006 -9.259 1.00 0.30 O ATOM 2891 CG2 THR B 39 17.697 -2.475 -7.843 1.00 0.27 C ATOM 0 H THR B 39 15.075 -2.944 -7.284 1.00 0.20 H new ATOM 0 HA THR B 39 15.836 -0.727 -8.798 1.00 0.22 H new ATOM 0 HB THR B 39 17.390 -2.266 -9.945 1.00 0.25 H new ATOM 0 HG1 THR B 39 15.540 -4.132 -9.129 1.00 0.30 H new ATOM 0 HG21 THR B 39 18.592 -3.088 -7.949 1.00 0.27 H new ATOM 0 HG22 THR B 39 17.985 -1.431 -7.722 1.00 0.27 H new ATOM 0 HG23 THR B 39 17.137 -2.801 -6.967 1.00 0.27 H new ATOM 2899 N ARG B 40 13.825 -2.812 -10.295 1.00 0.24 N ATOM 2900 CA ARG B 40 13.082 -3.102 -11.505 1.00 0.27 C ATOM 2901 C ARG B 40 11.864 -2.202 -11.653 1.00 0.27 C ATOM 2902 O ARG B 40 11.794 -1.399 -12.583 1.00 0.30 O ATOM 2903 CB ARG B 40 12.657 -4.568 -11.519 1.00 0.31 C ATOM 2904 CG ARG B 40 13.807 -5.534 -11.753 1.00 0.34 C ATOM 2905 CD ARG B 40 14.499 -5.262 -13.078 1.00 0.44 C ATOM 2906 NE ARG B 40 13.578 -5.374 -14.210 1.00 0.64 N ATOM 2907 CZ ARG B 40 13.775 -4.789 -15.391 1.00 0.87 C ATOM 2908 NH1 ARG B 40 14.851 -4.037 -15.596 1.00 1.22 N ATOM 2909 NH2 ARG B 40 12.895 -4.955 -16.370 1.00 1.06 N ATOM 0 H ARG B 40 13.552 -3.373 -9.488 1.00 0.24 H new ATOM 0 HA ARG B 40 13.740 -2.906 -12.352 1.00 0.27 H new ATOM 0 HB2 ARG B 40 12.180 -4.808 -10.569 1.00 0.31 H new ATOM 0 HB3 ARG B 40 11.908 -4.713 -12.298 1.00 0.31 H new ATOM 0 HG2 ARG B 40 14.528 -5.448 -10.940 1.00 0.34 H new ATOM 0 HG3 ARG B 40 13.433 -6.558 -11.740 1.00 0.34 H new ATOM 0 HD2 ARG B 40 14.934 -4.263 -13.062 1.00 0.44 H new ATOM 0 HD3 ARG B 40 15.321 -5.965 -13.209 1.00 0.44 H new ATOM 0 HE ARG B 40 12.734 -5.934 -14.087 1.00 0.64 H new ATOM 0 HH11 ARG B 40 15.531 -3.905 -14.847 1.00 1.22 H new ATOM 0 HH12 ARG B 40 14.997 -3.592 -16.502 1.00 1.22 H new ATOM 0 HH21 ARG B 40 12.067 -5.531 -16.219 1.00 1.06 H new ATOM 0 HH22 ARG B 40 13.047 -4.507 -17.274 1.00 1.06 H new ATOM 2923 N GLU B 41 10.911 -2.325 -10.739 1.00 0.27 N ATOM 2924 CA GLU B 41 9.651 -1.609 -10.876 1.00 0.30 C ATOM 2925 C GLU B 41 9.612 -0.322 -10.059 1.00 0.34 C ATOM 2926 O GLU B 41 8.723 0.497 -10.245 1.00 0.46 O ATOM 2927 CB GLU B 41 8.463 -2.503 -10.508 1.00 0.36 C ATOM 2928 CG GLU B 41 7.969 -3.372 -11.658 1.00 0.45 C ATOM 2929 CD GLU B 41 8.897 -4.530 -11.981 1.00 0.83 C ATOM 2930 OE1 GLU B 41 8.985 -5.483 -11.173 1.00 1.59 O ATOM 2931 OE2 GLU B 41 9.540 -4.496 -13.053 1.00 1.54 O ATOM 0 H GLU B 41 10.985 -2.907 -9.904 1.00 0.27 H new ATOM 0 HA GLU B 41 9.573 -1.329 -11.927 1.00 0.30 H new ATOM 0 HB2 GLU B 41 8.748 -3.146 -9.675 1.00 0.36 H new ATOM 0 HB3 GLU B 41 7.642 -1.876 -10.160 1.00 0.36 H new ATOM 0 HG2 GLU B 41 6.983 -3.765 -11.409 1.00 0.45 H new ATOM 0 HG3 GLU B 41 7.850 -2.752 -12.547 1.00 0.45 H new ATOM 2938 N LEU B 42 10.566 -0.118 -9.162 1.00 0.27 N ATOM 2939 CA LEU B 42 10.591 1.128 -8.391 1.00 0.28 C ATOM 2940 C LEU B 42 11.910 1.892 -8.568 1.00 0.27 C ATOM 2941 O LEU B 42 12.453 2.407 -7.591 1.00 0.26 O ATOM 2942 CB LEU B 42 10.373 0.849 -6.897 1.00 0.27 C ATOM 2943 CG LEU B 42 9.111 0.064 -6.539 1.00 0.27 C ATOM 2944 CD1 LEU B 42 9.340 -1.422 -6.713 1.00 0.26 C ATOM 2945 CD2 LEU B 42 8.679 0.369 -5.115 1.00 0.32 C ATOM 0 H LEU B 42 11.316 -0.776 -8.950 1.00 0.27 H new ATOM 0 HA LEU B 42 9.780 1.747 -8.775 1.00 0.28 H new ATOM 0 HB2 LEU B 42 11.237 0.301 -6.520 1.00 0.27 H new ATOM 0 HB3 LEU B 42 10.346 1.803 -6.370 1.00 0.27 H new ATOM 0 HG LEU B 42 8.314 0.372 -7.216 1.00 0.27 H new ATOM 0 HD11 LEU B 42 8.430 -1.963 -6.453 1.00 0.26 H new ATOM 0 HD12 LEU B 42 9.603 -1.631 -7.750 1.00 0.26 H new ATOM 0 HD13 LEU B 42 10.152 -1.744 -6.061 1.00 0.26 H new ATOM 0 HD21 LEU B 42 7.779 -0.199 -4.878 1.00 0.32 H new ATOM 0 HD22 LEU B 42 9.476 0.090 -4.425 1.00 0.32 H new ATOM 0 HD23 LEU B 42 8.472 1.435 -5.018 1.00 0.32 H new ATOM 2957 N PRO B 43 12.433 2.034 -9.806 1.00 0.31 N ATOM 2958 CA PRO B 43 13.756 2.614 -10.008 1.00 0.33 C ATOM 2959 C PRO B 43 13.758 4.120 -9.765 1.00 0.33 C ATOM 2960 O PRO B 43 14.800 4.714 -9.474 1.00 0.36 O ATOM 2961 CB PRO B 43 14.077 2.288 -11.467 1.00 0.41 C ATOM 2962 CG PRO B 43 12.753 2.154 -12.138 1.00 0.51 C ATOM 2963 CD PRO B 43 11.778 1.695 -11.086 1.00 0.35 C ATOM 0 HA PRO B 43 14.494 2.215 -9.312 1.00 0.33 H new ATOM 0 HB2 PRO B 43 14.672 3.078 -11.925 1.00 0.41 H new ATOM 0 HB3 PRO B 43 14.654 1.367 -11.547 1.00 0.41 H new ATOM 0 HG2 PRO B 43 12.439 3.105 -12.568 1.00 0.51 H new ATOM 0 HG3 PRO B 43 12.805 1.436 -12.957 1.00 0.51 H new ATOM 0 HD2 PRO B 43 10.817 2.200 -11.187 1.00 0.35 H new ATOM 0 HD3 PRO B 43 11.585 0.625 -11.163 1.00 0.35 H new ATOM 2971 N SER B 44 12.584 4.729 -9.871 1.00 0.36 N ATOM 2972 CA SER B 44 12.432 6.141 -9.571 1.00 0.39 C ATOM 2973 C SER B 44 12.373 6.347 -8.063 1.00 0.35 C ATOM 2974 O SER B 44 12.899 7.327 -7.535 1.00 0.40 O ATOM 2975 CB SER B 44 11.152 6.679 -10.204 1.00 0.46 C ATOM 2976 OG SER B 44 11.072 6.328 -11.574 1.00 1.09 O ATOM 0 H SER B 44 11.724 4.264 -10.163 1.00 0.36 H new ATOM 0 HA SER B 44 13.288 6.678 -9.979 1.00 0.39 H new ATOM 0 HB2 SER B 44 10.286 6.283 -9.673 1.00 0.46 H new ATOM 0 HB3 SER B 44 11.120 7.764 -10.101 1.00 0.46 H new ATOM 0 HG SER B 44 10.242 6.683 -11.955 1.00 1.09 H new ATOM 2982 N PHE B 45 11.736 5.394 -7.383 1.00 0.30 N ATOM 2983 CA PHE B 45 11.517 5.455 -5.945 1.00 0.28 C ATOM 2984 C PHE B 45 12.776 5.156 -5.146 1.00 0.28 C ATOM 2985 O PHE B 45 12.687 4.800 -3.984 1.00 0.27 O ATOM 2986 CB PHE B 45 10.448 4.442 -5.526 1.00 0.31 C ATOM 2987 CG PHE B 45 9.091 4.681 -6.110 1.00 0.28 C ATOM 2988 CD1 PHE B 45 8.253 5.638 -5.570 1.00 1.28 C ATOM 2989 CD2 PHE B 45 8.642 3.926 -7.179 1.00 1.17 C ATOM 2990 CE1 PHE B 45 6.990 5.839 -6.083 1.00 1.34 C ATOM 2991 CE2 PHE B 45 7.384 4.122 -7.704 1.00 1.18 C ATOM 2992 CZ PHE B 45 6.555 5.078 -7.155 1.00 0.47 C ATOM 0 H PHE B 45 11.357 4.554 -7.821 1.00 0.30 H new ATOM 0 HA PHE B 45 11.199 6.476 -5.731 1.00 0.28 H new ATOM 0 HB2 PHE B 45 10.781 3.445 -5.813 1.00 0.31 H new ATOM 0 HB3 PHE B 45 10.367 4.450 -4.439 1.00 0.31 H new ATOM 0 HD1 PHE B 45 8.592 6.235 -4.736 1.00 1.28 H new ATOM 0 HD2 PHE B 45 9.287 3.173 -7.607 1.00 1.17 H new ATOM 0 HE1 PHE B 45 6.342 6.587 -5.651 1.00 1.34 H new ATOM 0 HE2 PHE B 45 7.048 3.530 -8.542 1.00 1.18 H new ATOM 0 HZ PHE B 45 5.566 5.233 -7.561 1.00 0.47 H new ATOM 3002 N LEU B 46 13.948 5.297 -5.733 1.00 0.32 N ATOM 3003 CA LEU B 46 15.156 5.033 -4.974 1.00 0.33 C ATOM 3004 C LEU B 46 15.844 6.333 -4.579 1.00 0.39 C ATOM 3005 O LEU B 46 16.707 6.336 -3.703 1.00 0.47 O ATOM 3006 CB LEU B 46 16.108 4.111 -5.748 1.00 0.35 C ATOM 3007 CG LEU B 46 15.482 2.796 -6.227 1.00 0.32 C ATOM 3008 CD1 LEU B 46 16.556 1.808 -6.650 1.00 0.41 C ATOM 3009 CD2 LEU B 46 14.577 2.200 -5.151 1.00 0.30 C ATOM 0 H LEU B 46 14.090 5.583 -6.702 1.00 0.32 H new ATOM 0 HA LEU B 46 14.871 4.515 -4.059 1.00 0.33 H new ATOM 0 HB2 LEU B 46 16.491 4.651 -6.614 1.00 0.35 H new ATOM 0 HB3 LEU B 46 16.963 3.880 -5.113 1.00 0.35 H new ATOM 0 HG LEU B 46 14.865 3.012 -7.099 1.00 0.32 H new ATOM 0 HD11 LEU B 46 16.087 0.883 -6.986 1.00 0.41 H new ATOM 0 HD12 LEU B 46 17.142 2.234 -7.464 1.00 0.41 H new ATOM 0 HD13 LEU B 46 17.210 1.597 -5.804 1.00 0.41 H new ATOM 0 HD21 LEU B 46 14.145 1.268 -5.515 1.00 0.30 H new ATOM 0 HD22 LEU B 46 15.161 2.003 -4.252 1.00 0.30 H new ATOM 0 HD23 LEU B 46 13.778 2.903 -4.917 1.00 0.30 H new ATOM 3021 N GLY B 47 15.438 7.431 -5.220 1.00 0.41 N ATOM 3022 CA GLY B 47 16.029 8.749 -4.972 1.00 0.49 C ATOM 3023 C GLY B 47 17.483 8.849 -5.416 1.00 0.53 C ATOM 3024 O GLY B 47 17.938 9.903 -5.866 1.00 0.60 O ATOM 0 H GLY B 47 14.696 7.433 -5.920 1.00 0.41 H new ATOM 0 HA2 GLY B 47 15.444 9.506 -5.494 1.00 0.49 H new ATOM 0 HA3 GLY B 47 15.965 8.974 -3.907 1.00 0.49 H new ATOM 3028 N LYS B 48 18.195 7.747 -5.285 1.00 0.54 N ATOM 3029 CA LYS B 48 19.548 7.602 -5.789 1.00 0.67 C ATOM 3030 C LYS B 48 19.699 6.223 -6.417 1.00 0.70 C ATOM 3031 O LYS B 48 19.701 6.081 -7.641 1.00 1.18 O ATOM 3032 CB LYS B 48 20.563 7.773 -4.649 1.00 0.82 C ATOM 3033 CG LYS B 48 22.003 7.474 -5.046 1.00 1.41 C ATOM 3034 CD LYS B 48 22.905 7.411 -3.823 1.00 2.04 C ATOM 3035 CE LYS B 48 24.349 7.095 -4.190 1.00 2.61 C ATOM 3036 NZ LYS B 48 24.500 5.740 -4.786 1.00 3.21 N ATOM 0 H LYS B 48 17.844 6.912 -4.817 1.00 0.54 H new ATOM 0 HA LYS B 48 19.739 8.370 -6.538 1.00 0.67 H new ATOM 0 HB2 LYS B 48 20.505 8.796 -4.276 1.00 0.82 H new ATOM 0 HB3 LYS B 48 20.281 7.117 -3.825 1.00 0.82 H new ATOM 0 HG2 LYS B 48 22.046 6.527 -5.583 1.00 1.41 H new ATOM 0 HG3 LYS B 48 22.363 8.244 -5.728 1.00 1.41 H new ATOM 0 HD2 LYS B 48 22.866 8.364 -3.295 1.00 2.04 H new ATOM 0 HD3 LYS B 48 22.531 6.651 -3.137 1.00 2.04 H new ATOM 0 HE2 LYS B 48 24.713 7.842 -4.895 1.00 2.61 H new ATOM 0 HE3 LYS B 48 24.972 7.168 -3.298 1.00 2.61 H new ATOM 0 HZ1 LYS B 48 25.510 5.519 -4.893 1.00 3.21 H new ATOM 0 HZ2 LYS B 48 24.055 5.035 -4.164 1.00 3.21 H new ATOM 0 HZ3 LYS B 48 24.040 5.718 -5.718 1.00 3.21 H new ATOM 3050 N ARG B 49 19.781 5.216 -5.550 1.00 0.54 N ATOM 3051 CA ARG B 49 19.931 3.818 -5.940 1.00 0.54 C ATOM 3052 C ARG B 49 20.133 2.982 -4.683 1.00 0.51 C ATOM 3053 O ARG B 49 20.812 3.415 -3.754 1.00 0.55 O ATOM 3054 CB ARG B 49 21.120 3.632 -6.901 1.00 0.66 C ATOM 3055 CG ARG B 49 21.430 2.182 -7.255 1.00 0.74 C ATOM 3056 CD ARG B 49 20.232 1.468 -7.869 1.00 0.73 C ATOM 3057 NE ARG B 49 19.848 2.011 -9.169 1.00 1.28 N ATOM 3058 CZ ARG B 49 19.281 1.291 -10.139 1.00 1.46 C ATOM 3059 NH1 ARG B 49 19.184 -0.032 -10.025 1.00 1.43 N ATOM 3060 NH2 ARG B 49 18.847 1.889 -11.241 1.00 2.26 N ATOM 0 H ARG B 49 19.744 5.352 -4.540 1.00 0.54 H new ATOM 0 HA ARG B 49 19.032 3.495 -6.465 1.00 0.54 H new ATOM 0 HB2 ARG B 49 20.916 4.181 -7.820 1.00 0.66 H new ATOM 0 HB3 ARG B 49 22.006 4.080 -6.452 1.00 0.66 H new ATOM 0 HG2 ARG B 49 22.266 2.152 -7.954 1.00 0.74 H new ATOM 0 HG3 ARG B 49 21.746 1.651 -6.357 1.00 0.74 H new ATOM 0 HD2 ARG B 49 20.464 0.409 -7.978 1.00 0.73 H new ATOM 0 HD3 ARG B 49 19.385 1.540 -7.187 1.00 0.73 H new ATOM 0 HE ARG B 49 20.024 3.000 -9.346 1.00 1.28 H new ATOM 0 HH11 ARG B 49 19.544 -0.500 -9.193 1.00 1.43 H new ATOM 0 HH12 ARG B 49 18.750 -0.578 -10.769 1.00 1.43 H new ATOM 0 HH21 ARG B 49 18.947 2.899 -11.346 1.00 2.26 H new ATOM 0 HH22 ARG B 49 18.414 1.339 -11.983 1.00 2.26 H new ATOM 3074 N THR B 50 19.506 1.819 -4.630 1.00 0.51 N ATOM 3075 CA THR B 50 19.697 0.907 -3.521 1.00 0.51 C ATOM 3076 C THR B 50 21.092 0.285 -3.569 1.00 0.61 C ATOM 3077 O THR B 50 21.344 -0.649 -4.329 1.00 0.82 O ATOM 3078 CB THR B 50 18.630 -0.196 -3.544 1.00 0.57 C ATOM 3079 OG1 THR B 50 18.545 -0.756 -4.861 1.00 0.69 O ATOM 3080 CG2 THR B 50 17.273 0.355 -3.130 1.00 0.57 C ATOM 0 H THR B 50 18.859 1.486 -5.345 1.00 0.51 H new ATOM 0 HA THR B 50 19.599 1.473 -2.595 1.00 0.51 H new ATOM 0 HB THR B 50 18.917 -0.972 -2.834 1.00 0.57 H new ATOM 0 HG1 THR B 50 19.447 -0.937 -5.198 1.00 0.69 H new ATOM 0 HG21 THR B 50 16.533 -0.445 -3.154 1.00 0.57 H new ATOM 0 HG22 THR B 50 17.337 0.760 -2.120 1.00 0.57 H new ATOM 0 HG23 THR B 50 16.976 1.145 -3.819 1.00 0.57 H new ATOM 3088 N ASP B 51 21.997 0.834 -2.771 1.00 0.58 N ATOM 3089 CA ASP B 51 23.365 0.334 -2.700 1.00 0.72 C ATOM 3090 C ASP B 51 23.482 -0.684 -1.576 1.00 0.60 C ATOM 3091 O ASP B 51 22.556 -0.841 -0.787 1.00 0.58 O ATOM 3092 CB ASP B 51 24.354 1.482 -2.455 1.00 0.91 C ATOM 3093 CG ASP B 51 24.318 2.549 -3.534 1.00 1.35 C ATOM 3094 OD1 ASP B 51 24.683 2.248 -4.687 1.00 1.91 O ATOM 3095 OD2 ASP B 51 23.949 3.701 -3.222 1.00 1.98 O ATOM 0 H ASP B 51 21.808 1.629 -2.161 1.00 0.58 H new ATOM 0 HA ASP B 51 23.608 -0.138 -3.652 1.00 0.72 H new ATOM 0 HB2 ASP B 51 24.134 1.942 -1.492 1.00 0.91 H new ATOM 0 HB3 ASP B 51 25.363 1.075 -2.390 1.00 0.91 H new ATOM 3100 N GLU B 52 24.618 -1.364 -1.488 1.00 0.68 N ATOM 3101 CA GLU B 52 24.824 -2.352 -0.435 1.00 0.66 C ATOM 3102 C GLU B 52 24.932 -1.683 0.932 1.00 0.55 C ATOM 3103 O GLU B 52 24.321 -2.138 1.902 1.00 0.50 O ATOM 3104 CB GLU B 52 26.064 -3.200 -0.714 1.00 0.83 C ATOM 3105 CG GLU B 52 25.866 -4.201 -1.840 1.00 1.57 C ATOM 3106 CD GLU B 52 24.749 -5.184 -1.544 1.00 2.22 C ATOM 3107 OE1 GLU B 52 25.015 -6.216 -0.892 1.00 2.89 O ATOM 3108 OE2 GLU B 52 23.597 -4.927 -1.956 1.00 2.79 O ATOM 0 H GLU B 52 25.405 -1.252 -2.127 1.00 0.68 H new ATOM 0 HA GLU B 52 23.955 -3.010 -0.425 1.00 0.66 H new ATOM 0 HB2 GLU B 52 26.897 -2.543 -0.964 1.00 0.83 H new ATOM 0 HB3 GLU B 52 26.342 -3.735 0.194 1.00 0.83 H new ATOM 0 HG2 GLU B 52 25.642 -3.667 -2.763 1.00 1.57 H new ATOM 0 HG3 GLU B 52 26.794 -4.748 -2.005 1.00 1.57 H new ATOM 3115 N ALA B 53 25.684 -0.589 1.006 1.00 0.58 N ATOM 3116 CA ALA B 53 25.810 0.163 2.250 1.00 0.58 C ATOM 3117 C ALA B 53 24.531 0.937 2.535 1.00 0.53 C ATOM 3118 O ALA B 53 24.321 1.436 3.640 1.00 0.58 O ATOM 3119 CB ALA B 53 26.994 1.112 2.188 1.00 0.70 C ATOM 0 H ALA B 53 26.213 -0.205 0.223 1.00 0.58 H new ATOM 0 HA ALA B 53 25.979 -0.546 3.060 1.00 0.58 H new ATOM 0 HB1 ALA B 53 27.069 1.662 3.126 1.00 0.70 H new ATOM 0 HB2 ALA B 53 27.909 0.542 2.028 1.00 0.70 H new ATOM 0 HB3 ALA B 53 26.855 1.814 1.366 1.00 0.70 H new ATOM 3125 N ALA B 54 23.678 1.028 1.532 1.00 0.52 N ATOM 3126 CA ALA B 54 22.406 1.708 1.670 1.00 0.51 C ATOM 3127 C ALA B 54 21.325 0.738 2.123 1.00 0.39 C ATOM 3128 O ALA B 54 20.457 1.081 2.922 1.00 0.35 O ATOM 3129 CB ALA B 54 22.012 2.349 0.353 1.00 0.63 C ATOM 0 H ALA B 54 23.846 0.636 0.606 1.00 0.52 H new ATOM 0 HA ALA B 54 22.511 2.486 2.427 1.00 0.51 H new ATOM 0 HB1 ALA B 54 21.055 2.857 0.468 1.00 0.63 H new ATOM 0 HB2 ALA B 54 22.773 3.071 0.058 1.00 0.63 H new ATOM 0 HB3 ALA B 54 21.925 1.580 -0.414 1.00 0.63 H new ATOM 3135 N PHE B 55 21.382 -0.479 1.609 1.00 0.38 N ATOM 3136 CA PHE B 55 20.371 -1.481 1.913 1.00 0.32 C ATOM 3137 C PHE B 55 20.535 -2.045 3.318 1.00 0.31 C ATOM 3138 O PHE B 55 19.586 -2.590 3.881 1.00 0.31 O ATOM 3139 CB PHE B 55 20.394 -2.608 0.889 1.00 0.41 C ATOM 3140 CG PHE B 55 19.031 -2.923 0.363 1.00 0.36 C ATOM 3141 CD1 PHE B 55 18.100 -3.575 1.154 1.00 1.25 C ATOM 3142 CD2 PHE B 55 18.672 -2.543 -0.914 1.00 1.23 C ATOM 3143 CE1 PHE B 55 16.835 -3.847 0.674 1.00 1.22 C ATOM 3144 CE2 PHE B 55 17.412 -2.809 -1.398 1.00 1.30 C ATOM 3145 CZ PHE B 55 16.490 -3.463 -0.604 1.00 0.46 C ATOM 0 H PHE B 55 22.118 -0.798 0.979 1.00 0.38 H new ATOM 0 HA PHE B 55 19.403 -0.981 1.864 1.00 0.32 H new ATOM 0 HB2 PHE B 55 21.046 -2.330 0.061 1.00 0.41 H new ATOM 0 HB3 PHE B 55 20.821 -3.501 1.345 1.00 0.41 H new ATOM 0 HD1 PHE B 55 18.367 -3.874 2.157 1.00 1.25 H new ATOM 0 HD2 PHE B 55 19.388 -2.031 -1.540 1.00 1.23 H new ATOM 0 HE1 PHE B 55 16.118 -4.359 1.298 1.00 1.22 H new ATOM 0 HE2 PHE B 55 17.144 -2.506 -2.399 1.00 1.30 H new ATOM 0 HZ PHE B 55 15.501 -3.673 -0.984 1.00 0.46 H new ATOM 3155 N GLN B 56 21.732 -1.905 3.890 1.00 0.35 N ATOM 3156 CA GLN B 56 21.949 -2.277 5.287 1.00 0.41 C ATOM 3157 C GLN B 56 21.117 -1.357 6.176 1.00 0.42 C ATOM 3158 O GLN B 56 20.835 -1.658 7.335 1.00 0.52 O ATOM 3159 CB GLN B 56 23.433 -2.181 5.662 1.00 0.51 C ATOM 3160 CG GLN B 56 23.948 -0.755 5.767 1.00 0.53 C ATOM 3161 CD GLN B 56 25.428 -0.684 6.084 1.00 0.69 C ATOM 3162 OE1 GLN B 56 25.981 -1.573 6.728 1.00 1.15 O ATOM 3163 NE2 GLN B 56 26.073 0.384 5.643 1.00 1.53 N ATOM 0 H GLN B 56 22.557 -1.541 3.413 1.00 0.35 H new ATOM 0 HA GLN B 56 21.641 -3.312 5.432 1.00 0.41 H new ATOM 0 HB2 GLN B 56 23.591 -2.685 6.615 1.00 0.51 H new ATOM 0 HB3 GLN B 56 24.022 -2.716 4.917 1.00 0.51 H new ATOM 0 HG2 GLN B 56 23.757 -0.235 4.828 1.00 0.53 H new ATOM 0 HG3 GLN B 56 23.390 -0.229 6.542 1.00 0.53 H new ATOM 0 HE21 GLN B 56 25.574 1.098 5.112 1.00 1.53 H new ATOM 0 HE22 GLN B 56 27.069 0.493 5.834 1.00 1.53 H new ATOM 3172 N LYS B 57 20.751 -0.216 5.611 1.00 0.36 N ATOM 3173 CA LYS B 57 19.818 0.696 6.240 1.00 0.39 C ATOM 3174 C LYS B 57 18.402 0.312 5.853 1.00 0.34 C ATOM 3175 O LYS B 57 17.530 0.150 6.701 1.00 0.41 O ATOM 3176 CB LYS B 57 20.069 2.131 5.769 1.00 0.44 C ATOM 3177 CG LYS B 57 21.413 2.721 6.147 1.00 0.54 C ATOM 3178 CD LYS B 57 21.564 4.131 5.580 1.00 0.61 C ATOM 3179 CE LYS B 57 22.941 4.709 5.880 1.00 0.79 C ATOM 3180 NZ LYS B 57 23.159 4.936 7.333 1.00 1.27 N ATOM 0 H LYS B 57 21.094 0.100 4.704 1.00 0.36 H new ATOM 0 HA LYS B 57 19.954 0.637 7.320 1.00 0.39 H new ATOM 0 HB2 LYS B 57 19.973 2.160 4.684 1.00 0.44 H new ATOM 0 HB3 LYS B 57 19.285 2.770 6.176 1.00 0.44 H new ATOM 0 HG2 LYS B 57 21.511 2.748 7.232 1.00 0.54 H new ATOM 0 HG3 LYS B 57 22.214 2.085 5.770 1.00 0.54 H new ATOM 0 HD2 LYS B 57 21.404 4.110 4.502 1.00 0.61 H new ATOM 0 HD3 LYS B 57 20.796 4.779 6.003 1.00 0.61 H new ATOM 0 HE2 LYS B 57 23.706 4.031 5.503 1.00 0.79 H new ATOM 0 HE3 LYS B 57 23.060 5.652 5.346 1.00 0.79 H new ATOM 0 HZ1 LYS B 57 24.075 5.407 7.477 1.00 1.27 H new ATOM 0 HZ2 LYS B 57 22.397 5.536 7.709 1.00 1.27 H new ATOM 0 HZ3 LYS B 57 23.158 4.023 7.831 1.00 1.27 H new ATOM 3194 N LEU B 58 18.207 0.151 4.552 1.00 0.27 N ATOM 3195 CA LEU B 58 16.885 -0.007 3.968 1.00 0.25 C ATOM 3196 C LEU B 58 16.107 -1.172 4.571 1.00 0.24 C ATOM 3197 O LEU B 58 15.031 -0.970 5.132 1.00 0.26 O ATOM 3198 CB LEU B 58 17.001 -0.183 2.456 1.00 0.22 C ATOM 3199 CG LEU B 58 15.670 -0.172 1.721 1.00 0.22 C ATOM 3200 CD1 LEU B 58 14.947 1.126 1.993 1.00 0.26 C ATOM 3201 CD2 LEU B 58 15.873 -0.344 0.233 1.00 0.23 C ATOM 0 H LEU B 58 18.965 0.126 3.870 1.00 0.27 H new ATOM 0 HA LEU B 58 16.325 0.900 4.196 1.00 0.25 H new ATOM 0 HB2 LEU B 58 17.630 0.613 2.057 1.00 0.22 H new ATOM 0 HB3 LEU B 58 17.509 -1.125 2.250 1.00 0.22 H new ATOM 0 HG LEU B 58 15.070 -1.006 2.084 1.00 0.22 H new ATOM 0 HD11 LEU B 58 13.994 1.129 1.464 1.00 0.26 H new ATOM 0 HD12 LEU B 58 14.768 1.226 3.064 1.00 0.26 H new ATOM 0 HD13 LEU B 58 15.556 1.961 1.648 1.00 0.26 H new ATOM 0 HD21 LEU B 58 14.906 -0.333 -0.270 1.00 0.23 H new ATOM 0 HD22 LEU B 58 16.489 0.471 -0.147 1.00 0.23 H new ATOM 0 HD23 LEU B 58 16.371 -1.295 0.041 1.00 0.23 H new ATOM 3213 N MET B 59 16.650 -2.378 4.444 1.00 0.24 N ATOM 3214 CA MET B 59 15.991 -3.590 4.940 1.00 0.27 C ATOM 3215 C MET B 59 15.430 -3.411 6.346 1.00 0.34 C ATOM 3216 O MET B 59 14.235 -3.593 6.568 1.00 0.41 O ATOM 3217 CB MET B 59 16.961 -4.779 4.909 1.00 0.28 C ATOM 3218 CG MET B 59 16.596 -5.917 5.860 1.00 0.30 C ATOM 3219 SD MET B 59 14.877 -6.445 5.720 1.00 0.31 S ATOM 3220 CE MET B 59 14.849 -7.085 4.058 1.00 0.25 C ATOM 0 H MET B 59 17.552 -2.547 3.999 1.00 0.24 H new ATOM 0 HA MET B 59 15.150 -3.790 4.276 1.00 0.27 H new ATOM 0 HB2 MET B 59 17.004 -5.171 3.893 1.00 0.28 H new ATOM 0 HB3 MET B 59 17.961 -4.423 5.156 1.00 0.28 H new ATOM 0 HG2 MET B 59 17.247 -6.769 5.662 1.00 0.30 H new ATOM 0 HG3 MET B 59 16.788 -5.600 6.885 1.00 0.30 H new ATOM 0 HE1 MET B 59 13.869 -7.514 3.850 1.00 0.25 H new ATOM 0 HE2 MET B 59 15.049 -6.277 3.354 1.00 0.25 H new ATOM 0 HE3 MET B 59 15.612 -7.856 3.952 1.00 0.25 H new ATOM 3230 N SER B 60 16.274 -3.019 7.282 1.00 0.39 N ATOM 3231 CA SER B 60 15.879 -2.998 8.677 1.00 0.51 C ATOM 3232 C SER B 60 15.006 -1.786 9.011 1.00 0.44 C ATOM 3233 O SER B 60 14.550 -1.632 10.145 1.00 0.51 O ATOM 3234 CB SER B 60 17.121 -3.066 9.559 1.00 0.70 C ATOM 3235 OG SER B 60 18.105 -2.131 9.142 1.00 1.36 O ATOM 0 H SER B 60 17.230 -2.713 7.103 1.00 0.39 H new ATOM 0 HA SER B 60 15.261 -3.874 8.875 1.00 0.51 H new ATOM 0 HB2 SER B 60 16.845 -2.868 10.595 1.00 0.70 H new ATOM 0 HB3 SER B 60 17.537 -4.073 9.527 1.00 0.70 H new ATOM 0 HG SER B 60 18.888 -2.197 9.727 1.00 1.36 H new ATOM 3241 N ASN B 61 14.783 -0.920 8.027 1.00 0.37 N ATOM 3242 CA ASN B 61 13.832 0.170 8.177 1.00 0.42 C ATOM 3243 C ASN B 61 12.474 -0.273 7.683 1.00 0.44 C ATOM 3244 O ASN B 61 11.466 0.374 7.946 1.00 0.64 O ATOM 3245 CB ASN B 61 14.295 1.426 7.457 1.00 0.46 C ATOM 3246 CG ASN B 61 15.199 2.289 8.318 1.00 0.47 C ATOM 3247 OD1 ASN B 61 14.732 3.157 9.050 1.00 0.96 O ATOM 3248 ND2 ASN B 61 16.496 2.060 8.238 1.00 0.92 N ATOM 0 H ASN B 61 15.248 -0.954 7.120 1.00 0.37 H new ATOM 0 HA ASN B 61 13.762 0.423 9.235 1.00 0.42 H new ATOM 0 HB2 ASN B 61 14.825 1.145 6.547 1.00 0.46 H new ATOM 0 HB3 ASN B 61 13.425 2.008 7.152 1.00 0.46 H new ATOM 0 HD21 ASN B 61 17.147 2.613 8.796 1.00 0.92 H new ATOM 0 HD22 ASN B 61 16.848 1.330 7.618 1.00 0.92 H new ATOM 3255 N LEU B 62 12.452 -1.383 6.960 1.00 0.33 N ATOM 3256 CA LEU B 62 11.204 -2.026 6.630 1.00 0.39 C ATOM 3257 C LEU B 62 10.904 -3.063 7.685 1.00 0.54 C ATOM 3258 O LEU B 62 10.022 -2.874 8.520 1.00 1.18 O ATOM 3259 CB LEU B 62 11.250 -2.674 5.244 1.00 0.35 C ATOM 3260 CG LEU B 62 10.960 -1.737 4.074 1.00 0.25 C ATOM 3261 CD1 LEU B 62 9.664 -0.987 4.317 1.00 0.24 C ATOM 3262 CD2 LEU B 62 12.104 -0.768 3.843 1.00 0.22 C ATOM 0 H LEU B 62 13.283 -1.849 6.596 1.00 0.33 H new ATOM 0 HA LEU B 62 10.415 -1.274 6.605 1.00 0.39 H new ATOM 0 HB2 LEU B 62 12.237 -3.114 5.100 1.00 0.35 H new ATOM 0 HB3 LEU B 62 10.530 -3.492 5.220 1.00 0.35 H new ATOM 0 HG LEU B 62 10.856 -2.342 3.173 1.00 0.25 H new ATOM 0 HD11 LEU B 62 9.466 -0.321 3.477 1.00 0.24 H new ATOM 0 HD12 LEU B 62 8.845 -1.699 4.417 1.00 0.24 H new ATOM 0 HD13 LEU B 62 9.749 -0.401 5.232 1.00 0.24 H new ATOM 0 HD21 LEU B 62 11.864 -0.116 3.003 1.00 0.22 H new ATOM 0 HD22 LEU B 62 12.257 -0.165 4.738 1.00 0.22 H new ATOM 0 HD23 LEU B 62 13.014 -1.326 3.621 1.00 0.22 H new ATOM 3274 N ASP B 63 11.691 -4.129 7.675 1.00 0.31 N ATOM 3275 CA ASP B 63 11.511 -5.225 8.610 1.00 0.33 C ATOM 3276 C ASP B 63 11.807 -4.773 10.030 1.00 0.37 C ATOM 3277 O ASP B 63 12.964 -4.662 10.444 1.00 0.43 O ATOM 3278 CB ASP B 63 12.401 -6.407 8.231 1.00 0.40 C ATOM 3279 CG ASP B 63 12.386 -7.500 9.276 1.00 0.38 C ATOM 3280 OD1 ASP B 63 11.296 -7.814 9.805 1.00 1.08 O ATOM 3281 OD2 ASP B 63 13.468 -8.038 9.584 1.00 1.15 O ATOM 0 H ASP B 63 12.465 -4.256 7.024 1.00 0.31 H new ATOM 0 HA ASP B 63 10.471 -5.546 8.561 1.00 0.33 H new ATOM 0 HB2 ASP B 63 12.069 -6.816 7.277 1.00 0.40 H new ATOM 0 HB3 ASP B 63 13.424 -6.057 8.090 1.00 0.40 H new ATOM 3286 N SER B 64 10.749 -4.496 10.766 1.00 0.43 N ATOM 3287 CA SER B 64 10.870 -4.048 12.137 1.00 0.52 C ATOM 3288 C SER B 64 10.860 -5.244 13.076 1.00 0.58 C ATOM 3289 O SER B 64 11.028 -5.107 14.290 1.00 0.71 O ATOM 3290 CB SER B 64 9.734 -3.080 12.458 1.00 0.67 C ATOM 3291 OG SER B 64 9.693 -2.034 11.500 1.00 1.14 O ATOM 0 H SER B 64 9.788 -4.575 10.433 1.00 0.43 H new ATOM 0 HA SER B 64 11.816 -3.524 12.272 1.00 0.52 H new ATOM 0 HB2 SER B 64 8.784 -3.613 12.465 1.00 0.67 H new ATOM 0 HB3 SER B 64 9.873 -2.663 13.456 1.00 0.67 H new ATOM 0 HG SER B 64 8.959 -1.421 11.716 1.00 1.14 H new ATOM 3297 N ASN B 65 10.675 -6.427 12.499 1.00 0.60 N ATOM 3298 CA ASN B 65 10.712 -7.667 13.260 1.00 0.75 C ATOM 3299 C ASN B 65 12.157 -8.081 13.471 1.00 0.76 C ATOM 3300 O ASN B 65 12.467 -8.865 14.370 1.00 0.91 O ATOM 3301 CB ASN B 65 9.949 -8.782 12.541 1.00 0.89 C ATOM 3302 CG ASN B 65 8.521 -8.391 12.208 1.00 1.52 C ATOM 3303 OD1 ASN B 65 7.616 -8.531 13.035 1.00 1.87 O ATOM 3304 ND2 ASN B 65 8.309 -7.909 10.994 1.00 2.34 N ATOM 0 H ASN B 65 10.497 -6.551 11.502 1.00 0.60 H new ATOM 0 HA ASN B 65 10.229 -7.499 14.223 1.00 0.75 H new ATOM 0 HB2 ASN B 65 10.474 -9.042 11.622 1.00 0.89 H new ATOM 0 HB3 ASN B 65 9.941 -9.674 13.167 1.00 0.89 H new ATOM 0 HD21 ASN B 65 7.368 -7.636 10.711 1.00 2.34 H new ATOM 0 HD22 ASN B 65 9.087 -7.810 10.342 1.00 2.34 H new ATOM 3311 N ARG B 66 13.034 -7.539 12.623 1.00 0.68 N ATOM 3312 CA ARG B 66 14.471 -7.749 12.733 1.00 0.81 C ATOM 3313 C ARG B 66 14.828 -9.208 12.474 1.00 0.88 C ATOM 3314 O ARG B 66 15.419 -9.888 13.313 1.00 1.11 O ATOM 3315 CB ARG B 66 14.970 -7.280 14.102 1.00 1.04 C ATOM 3316 CG ARG B 66 14.865 -5.773 14.285 1.00 1.10 C ATOM 3317 CD ARG B 66 14.779 -5.389 15.751 1.00 1.39 C ATOM 3318 NE ARG B 66 13.506 -5.794 16.350 1.00 2.08 N ATOM 3319 CZ ARG B 66 13.363 -6.147 17.626 1.00 2.77 C ATOM 3320 NH1 ARG B 66 14.415 -6.163 18.436 1.00 2.86 N ATOM 3321 NH2 ARG B 66 12.166 -6.483 18.092 1.00 3.79 N ATOM 0 H ARG B 66 12.763 -6.942 11.841 1.00 0.68 H new ATOM 0 HA ARG B 66 14.972 -7.153 11.970 1.00 0.81 H new ATOM 0 HB2 ARG B 66 14.394 -7.777 14.883 1.00 1.04 H new ATOM 0 HB3 ARG B 66 16.009 -7.585 14.229 1.00 1.04 H new ATOM 0 HG2 ARG B 66 15.732 -5.290 13.833 1.00 1.10 H new ATOM 0 HG3 ARG B 66 13.984 -5.403 13.760 1.00 1.10 H new ATOM 0 HD2 ARG B 66 15.600 -5.854 16.296 1.00 1.39 H new ATOM 0 HD3 ARG B 66 14.900 -4.310 15.851 1.00 1.39 H new ATOM 0 HE ARG B 66 12.678 -5.807 15.754 1.00 2.08 H new ATOM 0 HH11 ARG B 66 15.336 -5.904 18.081 1.00 2.86 H new ATOM 0 HH12 ARG B 66 14.302 -6.434 19.413 1.00 2.86 H new ATOM 0 HH21 ARG B 66 11.356 -6.471 17.473 1.00 3.79 H new ATOM 0 HH22 ARG B 66 12.057 -6.753 19.069 1.00 3.79 H new ATOM 3335 N ASP B 67 14.446 -9.678 11.298 1.00 0.75 N ATOM 3336 CA ASP B 67 14.738 -11.032 10.861 1.00 0.88 C ATOM 3337 C ASP B 67 15.504 -10.982 9.542 1.00 0.77 C ATOM 3338 O ASP B 67 15.989 -12.007 9.052 1.00 0.96 O ATOM 3339 CB ASP B 67 13.435 -11.827 10.701 1.00 1.00 C ATOM 3340 CG ASP B 67 13.666 -13.307 10.463 1.00 1.39 C ATOM 3341 OD1 ASP B 67 14.090 -14.006 11.409 1.00 1.95 O ATOM 3342 OD2 ASP B 67 13.401 -13.790 9.343 1.00 1.93 O ATOM 0 H ASP B 67 13.922 -9.128 10.617 1.00 0.75 H new ATOM 0 HA ASP B 67 15.352 -11.533 11.609 1.00 0.88 H new ATOM 0 HB2 ASP B 67 12.827 -11.700 11.596 1.00 1.00 H new ATOM 0 HB3 ASP B 67 12.866 -11.416 9.868 1.00 1.00 H new ATOM 3347 N ASN B 68 15.596 -9.766 8.981 1.00 0.62 N ATOM 3348 CA ASN B 68 16.326 -9.497 7.732 1.00 0.55 C ATOM 3349 C ASN B 68 15.495 -9.936 6.531 1.00 0.43 C ATOM 3350 O ASN B 68 15.950 -9.907 5.396 1.00 0.57 O ATOM 3351 CB ASN B 68 17.695 -10.187 7.731 1.00 0.77 C ATOM 3352 CG ASN B 68 18.623 -9.709 6.627 1.00 1.30 C ATOM 3353 OD1 ASN B 68 19.328 -8.714 6.786 1.00 1.41 O ATOM 3354 ND2 ASN B 68 18.647 -10.426 5.512 1.00 2.22 N ATOM 0 H ASN B 68 15.163 -8.936 9.385 1.00 0.62 H new ATOM 0 HA ASN B 68 16.499 -8.423 7.661 1.00 0.55 H new ATOM 0 HB2 ASN B 68 18.176 -10.020 8.695 1.00 0.77 H new ATOM 0 HB3 ASN B 68 17.549 -11.262 7.630 1.00 0.77 H new ATOM 0 HD21 ASN B 68 19.266 -10.158 4.747 1.00 2.22 H new ATOM 0 HD22 ASN B 68 18.046 -11.245 5.419 1.00 2.22 H new ATOM 3361 N GLU B 69 14.251 -10.286 6.798 1.00 0.42 N ATOM 3362 CA GLU B 69 13.356 -10.818 5.785 1.00 0.42 C ATOM 3363 C GLU B 69 12.001 -10.141 5.917 1.00 0.39 C ATOM 3364 O GLU B 69 11.273 -10.397 6.874 1.00 0.54 O ATOM 3365 CB GLU B 69 13.163 -12.332 5.962 1.00 0.60 C ATOM 3366 CG GLU B 69 14.446 -13.138 6.120 1.00 1.04 C ATOM 3367 CD GLU B 69 15.249 -13.251 4.842 1.00 1.44 C ATOM 3368 OE1 GLU B 69 14.668 -13.612 3.797 1.00 1.84 O ATOM 3369 OE2 GLU B 69 16.476 -13.013 4.889 1.00 2.09 O ATOM 0 H GLU B 69 13.831 -10.210 7.724 1.00 0.42 H new ATOM 0 HA GLU B 69 13.793 -10.628 4.805 1.00 0.42 H new ATOM 0 HB2 GLU B 69 12.537 -12.502 6.838 1.00 0.60 H new ATOM 0 HB3 GLU B 69 12.617 -12.715 5.100 1.00 0.60 H new ATOM 0 HG2 GLU B 69 15.065 -12.675 6.889 1.00 1.04 H new ATOM 0 HG3 GLU B 69 14.196 -14.139 6.472 1.00 1.04 H new ATOM 3376 N VAL B 70 11.669 -9.275 4.979 1.00 0.28 N ATOM 3377 CA VAL B 70 10.404 -8.558 5.018 1.00 0.25 C ATOM 3378 C VAL B 70 9.226 -9.498 4.759 1.00 0.25 C ATOM 3379 O VAL B 70 9.155 -10.162 3.723 1.00 0.33 O ATOM 3380 CB VAL B 70 10.402 -7.379 4.016 1.00 0.26 C ATOM 3381 CG1 VAL B 70 8.995 -7.012 3.580 1.00 0.29 C ATOM 3382 CG2 VAL B 70 11.071 -6.173 4.649 1.00 0.30 C ATOM 0 H VAL B 70 12.258 -9.049 4.177 1.00 0.28 H new ATOM 0 HA VAL B 70 10.288 -8.147 6.021 1.00 0.25 H new ATOM 0 HB VAL B 70 10.954 -7.692 3.130 1.00 0.26 H new ATOM 0 HG11 VAL B 70 9.037 -6.180 2.877 1.00 0.29 H new ATOM 0 HG12 VAL B 70 8.528 -7.871 3.098 1.00 0.29 H new ATOM 0 HG13 VAL B 70 8.408 -6.721 4.451 1.00 0.29 H new ATOM 0 HG21 VAL B 70 11.069 -5.343 3.942 1.00 0.30 H new ATOM 0 HG22 VAL B 70 10.526 -5.885 5.548 1.00 0.30 H new ATOM 0 HG23 VAL B 70 12.099 -6.423 4.912 1.00 0.30 H new ATOM 3392 N ASP B 71 8.326 -9.559 5.736 1.00 0.25 N ATOM 3393 CA ASP B 71 7.144 -10.412 5.665 1.00 0.29 C ATOM 3394 C ASP B 71 5.997 -9.673 4.964 1.00 0.22 C ATOM 3395 O ASP B 71 6.181 -8.560 4.489 1.00 0.21 O ATOM 3396 CB ASP B 71 6.748 -10.858 7.081 1.00 0.42 C ATOM 3397 CG ASP B 71 5.657 -11.911 7.100 1.00 1.18 C ATOM 3398 OD1 ASP B 71 5.937 -13.075 6.753 1.00 2.06 O ATOM 3399 OD2 ASP B 71 4.510 -11.574 7.460 1.00 1.72 O ATOM 0 H ASP B 71 8.395 -9.019 6.599 1.00 0.25 H new ATOM 0 HA ASP B 71 7.368 -11.302 5.077 1.00 0.29 H new ATOM 0 HB2 ASP B 71 7.629 -11.250 7.590 1.00 0.42 H new ATOM 0 HB3 ASP B 71 6.413 -9.989 7.647 1.00 0.42 H new ATOM 3404 N PHE B 72 4.821 -10.289 4.917 1.00 0.21 N ATOM 3405 CA PHE B 72 3.723 -9.814 4.083 1.00 0.19 C ATOM 3406 C PHE B 72 3.255 -8.404 4.454 1.00 0.15 C ATOM 3407 O PHE B 72 3.225 -7.519 3.595 1.00 0.14 O ATOM 3408 CB PHE B 72 2.546 -10.785 4.160 1.00 0.21 C ATOM 3409 CG PHE B 72 1.814 -10.922 2.859 1.00 0.20 C ATOM 3410 CD1 PHE B 72 1.897 -9.930 1.891 1.00 1.18 C ATOM 3411 CD2 PHE B 72 1.052 -12.046 2.599 1.00 1.19 C ATOM 3412 CE1 PHE B 72 1.234 -10.059 0.690 1.00 1.20 C ATOM 3413 CE2 PHE B 72 0.386 -12.180 1.400 1.00 1.20 C ATOM 3414 CZ PHE B 72 0.476 -11.188 0.445 1.00 0.32 C ATOM 0 H PHE B 72 4.602 -11.128 5.454 1.00 0.21 H new ATOM 0 HA PHE B 72 4.104 -9.766 3.063 1.00 0.19 H new ATOM 0 HB2 PHE B 72 2.910 -11.764 4.471 1.00 0.21 H new ATOM 0 HB3 PHE B 72 1.851 -10.445 4.928 1.00 0.21 H new ATOM 0 HD1 PHE B 72 2.488 -9.047 2.082 1.00 1.18 H new ATOM 0 HD2 PHE B 72 0.978 -12.826 3.342 1.00 1.19 H new ATOM 0 HE1 PHE B 72 1.306 -9.282 -0.056 1.00 1.20 H new ATOM 0 HE2 PHE B 72 -0.207 -13.062 1.208 1.00 1.20 H new ATOM 0 HZ PHE B 72 -0.046 -11.294 -0.494 1.00 0.32 H new ATOM 3424 N GLN B 73 2.881 -8.182 5.713 1.00 0.15 N ATOM 3425 CA GLN B 73 2.388 -6.869 6.121 1.00 0.14 C ATOM 3426 C GLN B 73 3.516 -5.857 6.038 1.00 0.12 C ATOM 3427 O GLN B 73 3.293 -4.710 5.660 1.00 0.13 O ATOM 3428 CB GLN B 73 1.778 -6.891 7.533 1.00 0.16 C ATOM 3429 CG GLN B 73 1.122 -5.588 7.943 1.00 0.26 C ATOM 3430 CD GLN B 73 0.543 -5.659 9.340 1.00 0.22 C ATOM 3431 OE1 GLN B 73 0.044 -6.700 9.767 1.00 0.68 O ATOM 3432 NE2 GLN B 73 0.660 -4.576 10.082 1.00 0.60 N ATOM 0 H GLN B 73 2.909 -8.881 6.456 1.00 0.15 H new ATOM 0 HA GLN B 73 1.588 -6.581 5.439 1.00 0.14 H new ATOM 0 HB2 GLN B 73 1.039 -7.690 7.585 1.00 0.16 H new ATOM 0 HB3 GLN B 73 2.561 -7.133 8.252 1.00 0.16 H new ATOM 0 HG2 GLN B 73 1.855 -4.782 7.895 1.00 0.26 H new ATOM 0 HG3 GLN B 73 0.331 -5.342 7.235 1.00 0.26 H new ATOM 0 HE21 GLN B 73 1.080 -3.733 9.691 1.00 0.60 H new ATOM 0 HE22 GLN B 73 0.331 -4.581 11.047 1.00 0.60 H new ATOM 3441 N GLU B 74 4.735 -6.303 6.341 1.00 0.14 N ATOM 3442 CA GLU B 74 5.909 -5.446 6.255 1.00 0.17 C ATOM 3443 C GLU B 74 6.137 -5.032 4.810 1.00 0.14 C ATOM 3444 O GLU B 74 6.504 -3.897 4.519 1.00 0.16 O ATOM 3445 CB GLU B 74 7.148 -6.172 6.773 1.00 0.27 C ATOM 3446 CG GLU B 74 8.180 -5.236 7.368 1.00 0.38 C ATOM 3447 CD GLU B 74 7.755 -4.737 8.732 1.00 0.43 C ATOM 3448 OE1 GLU B 74 6.802 -3.942 8.805 1.00 1.21 O ATOM 3449 OE2 GLU B 74 8.354 -5.164 9.743 1.00 1.10 O ATOM 0 H GLU B 74 4.932 -7.255 6.648 1.00 0.14 H new ATOM 0 HA GLU B 74 5.736 -4.563 6.870 1.00 0.17 H new ATOM 0 HB2 GLU B 74 6.847 -6.898 7.528 1.00 0.27 H new ATOM 0 HB3 GLU B 74 7.602 -6.732 5.955 1.00 0.27 H new ATOM 0 HG2 GLU B 74 9.137 -5.752 7.450 1.00 0.38 H new ATOM 0 HG3 GLU B 74 8.332 -4.388 6.700 1.00 0.38 H new ATOM 3456 N TYR B 75 5.911 -5.973 3.910 1.00 0.14 N ATOM 3457 CA TYR B 75 6.053 -5.740 2.486 1.00 0.14 C ATOM 3458 C TYR B 75 5.059 -4.696 2.014 1.00 0.11 C ATOM 3459 O TYR B 75 5.370 -3.861 1.173 1.00 0.13 O ATOM 3460 CB TYR B 75 5.839 -7.049 1.722 1.00 0.16 C ATOM 3461 CG TYR B 75 5.943 -6.912 0.221 1.00 0.17 C ATOM 3462 CD1 TYR B 75 4.828 -6.598 -0.551 1.00 1.21 C ATOM 3463 CD2 TYR B 75 7.157 -7.097 -0.422 1.00 1.19 C ATOM 3464 CE1 TYR B 75 4.922 -6.467 -1.922 1.00 1.22 C ATOM 3465 CE2 TYR B 75 7.259 -6.969 -1.796 1.00 1.20 C ATOM 3466 CZ TYR B 75 6.139 -6.653 -2.540 1.00 0.22 C ATOM 3467 OH TYR B 75 6.236 -6.524 -3.907 1.00 0.26 O ATOM 0 H TYR B 75 5.623 -6.922 4.148 1.00 0.14 H new ATOM 0 HA TYR B 75 7.060 -5.371 2.292 1.00 0.14 H new ATOM 0 HB2 TYR B 75 6.574 -7.779 2.061 1.00 0.16 H new ATOM 0 HB3 TYR B 75 4.855 -7.447 1.972 1.00 0.16 H new ATOM 0 HD1 TYR B 75 3.872 -6.454 -0.069 1.00 1.21 H new ATOM 0 HD2 TYR B 75 8.035 -7.344 0.157 1.00 1.19 H new ATOM 0 HE1 TYR B 75 4.048 -6.220 -2.506 1.00 1.22 H new ATOM 0 HE2 TYR B 75 8.211 -7.116 -2.285 1.00 1.20 H new ATOM 0 HH TYR B 75 6.729 -5.705 -4.124 1.00 0.26 H new ATOM 3477 N CYS B 76 3.866 -4.736 2.565 1.00 0.11 N ATOM 3478 CA CYS B 76 2.812 -3.868 2.108 1.00 0.12 C ATOM 3479 C CYS B 76 2.841 -2.519 2.827 1.00 0.12 C ATOM 3480 O CYS B 76 2.546 -1.492 2.221 1.00 0.13 O ATOM 3481 CB CYS B 76 1.468 -4.560 2.290 1.00 0.14 C ATOM 3482 SG CYS B 76 1.393 -6.212 1.559 1.00 0.22 S ATOM 0 H CYS B 76 3.605 -5.360 3.328 1.00 0.11 H new ATOM 0 HA CYS B 76 2.966 -3.664 1.048 1.00 0.12 H new ATOM 0 HB2 CYS B 76 1.249 -4.634 3.355 1.00 0.14 H new ATOM 0 HB3 CYS B 76 0.688 -3.941 1.847 1.00 0.14 H new ATOM 0 HG CYS B 76 2.108 -7.034 2.269 1.00 0.22 H new ATOM 3488 N VAL B 77 3.193 -2.501 4.115 1.00 0.13 N ATOM 3489 CA VAL B 77 3.396 -1.227 4.797 1.00 0.14 C ATOM 3490 C VAL B 77 4.547 -0.515 4.116 1.00 0.14 C ATOM 3491 O VAL B 77 4.521 0.691 3.944 1.00 0.19 O ATOM 3492 CB VAL B 77 3.673 -1.372 6.318 1.00 0.16 C ATOM 3493 CG1 VAL B 77 4.859 -2.272 6.557 1.00 0.14 C ATOM 3494 CG2 VAL B 77 3.905 -0.012 6.980 1.00 0.20 C ATOM 0 H VAL B 77 3.339 -3.330 4.691 1.00 0.13 H new ATOM 0 HA VAL B 77 2.472 -0.653 4.725 1.00 0.14 H new ATOM 0 HB VAL B 77 2.788 -1.821 6.770 1.00 0.16 H new ATOM 0 HG11 VAL B 77 5.038 -2.362 7.629 1.00 0.14 H new ATOM 0 HG12 VAL B 77 4.657 -3.258 6.139 1.00 0.14 H new ATOM 0 HG13 VAL B 77 5.740 -1.848 6.076 1.00 0.14 H new ATOM 0 HG21 VAL B 77 4.096 -0.153 8.044 1.00 0.20 H new ATOM 0 HG22 VAL B 77 4.764 0.475 6.519 1.00 0.20 H new ATOM 0 HG23 VAL B 77 3.021 0.612 6.849 1.00 0.20 H new ATOM 3504 N PHE B 78 5.531 -1.300 3.695 1.00 0.11 N ATOM 3505 CA PHE B 78 6.590 -0.831 2.817 1.00 0.11 C ATOM 3506 C PHE B 78 6.004 -0.039 1.661 1.00 0.11 C ATOM 3507 O PHE B 78 6.371 1.110 1.421 1.00 0.11 O ATOM 3508 CB PHE B 78 7.352 -2.044 2.281 1.00 0.12 C ATOM 3509 CG PHE B 78 8.123 -1.796 1.019 1.00 0.12 C ATOM 3510 CD1 PHE B 78 9.414 -1.323 1.081 1.00 1.17 C ATOM 3511 CD2 PHE B 78 7.555 -2.053 -0.223 1.00 1.18 C ATOM 3512 CE1 PHE B 78 10.140 -1.105 -0.075 1.00 1.18 C ATOM 3513 CE2 PHE B 78 8.269 -1.834 -1.383 1.00 1.18 C ATOM 3514 CZ PHE B 78 9.565 -1.361 -1.309 1.00 0.15 C ATOM 0 H PHE B 78 5.615 -2.283 3.955 1.00 0.11 H new ATOM 0 HA PHE B 78 7.265 -0.180 3.373 1.00 0.11 H new ATOM 0 HB2 PHE B 78 8.043 -2.390 3.050 1.00 0.12 H new ATOM 0 HB3 PHE B 78 6.642 -2.852 2.103 1.00 0.12 H new ATOM 0 HD1 PHE B 78 9.864 -1.120 2.042 1.00 1.17 H new ATOM 0 HD2 PHE B 78 6.544 -2.428 -0.281 1.00 1.18 H new ATOM 0 HE1 PHE B 78 11.153 -0.736 -0.016 1.00 1.18 H new ATOM 0 HE2 PHE B 78 7.817 -2.031 -2.344 1.00 1.18 H new ATOM 0 HZ PHE B 78 10.130 -1.191 -2.214 1.00 0.15 H new ATOM 3524 N LEU B 79 5.073 -0.672 0.969 1.00 0.14 N ATOM 3525 CA LEU B 79 4.429 -0.086 -0.187 1.00 0.16 C ATOM 3526 C LEU B 79 3.722 1.203 0.157 1.00 0.17 C ATOM 3527 O LEU B 79 3.900 2.223 -0.506 1.00 0.20 O ATOM 3528 CB LEU B 79 3.429 -1.062 -0.773 1.00 0.15 C ATOM 3529 CG LEU B 79 4.003 -2.008 -1.807 1.00 0.15 C ATOM 3530 CD1 LEU B 79 3.846 -3.442 -1.366 1.00 0.19 C ATOM 3531 CD2 LEU B 79 3.305 -1.778 -3.116 1.00 0.14 C ATOM 0 H LEU B 79 4.743 -1.610 1.196 1.00 0.14 H new ATOM 0 HA LEU B 79 5.208 0.137 -0.916 1.00 0.16 H new ATOM 0 HB2 LEU B 79 2.997 -1.649 0.037 1.00 0.15 H new ATOM 0 HB3 LEU B 79 2.615 -0.498 -1.228 1.00 0.15 H new ATOM 0 HG LEU B 79 5.069 -1.814 -1.923 1.00 0.15 H new ATOM 0 HD11 LEU B 79 4.265 -4.104 -2.124 1.00 0.19 H new ATOM 0 HD12 LEU B 79 4.371 -3.592 -0.423 1.00 0.19 H new ATOM 0 HD13 LEU B 79 2.788 -3.668 -1.232 1.00 0.19 H new ATOM 0 HD21 LEU B 79 3.711 -2.454 -3.868 1.00 0.14 H new ATOM 0 HD22 LEU B 79 2.238 -1.965 -2.997 1.00 0.14 H new ATOM 0 HD23 LEU B 79 3.459 -0.747 -3.434 1.00 0.14 H new ATOM 3543 N SER B 80 2.932 1.161 1.203 1.00 0.19 N ATOM 3544 CA SER B 80 2.152 2.307 1.581 1.00 0.21 C ATOM 3545 C SER B 80 3.054 3.394 2.120 1.00 0.20 C ATOM 3546 O SER B 80 2.780 4.570 1.965 1.00 0.24 O ATOM 3547 CB SER B 80 1.100 1.891 2.586 1.00 0.22 C ATOM 3548 OG SER B 80 1.602 0.912 3.474 1.00 0.18 O ATOM 0 H SER B 80 2.815 0.346 1.804 1.00 0.19 H new ATOM 0 HA SER B 80 1.641 2.714 0.709 1.00 0.21 H new ATOM 0 HB2 SER B 80 0.768 2.762 3.151 1.00 0.22 H new ATOM 0 HB3 SER B 80 0.228 1.499 2.063 1.00 0.22 H new ATOM 0 HG SER B 80 1.441 0.020 3.102 1.00 0.18 H new ATOM 3554 N CYS B 81 4.158 2.988 2.707 1.00 0.17 N ATOM 3555 CA CYS B 81 5.159 3.922 3.166 1.00 0.18 C ATOM 3556 C CYS B 81 5.882 4.563 1.998 1.00 0.33 C ATOM 3557 O CYS B 81 6.586 5.546 2.177 1.00 0.72 O ATOM 3558 CB CYS B 81 6.135 3.236 4.099 1.00 0.30 C ATOM 3559 SG CYS B 81 5.369 2.731 5.650 1.00 1.83 S ATOM 0 H CYS B 81 4.385 2.008 2.878 1.00 0.17 H new ATOM 0 HA CYS B 81 4.657 4.715 3.720 1.00 0.18 H new ATOM 0 HB2 CYS B 81 6.553 2.361 3.602 1.00 0.30 H new ATOM 0 HB3 CYS B 81 6.965 3.910 4.310 1.00 0.30 H new ATOM 0 HG CYS B 81 4.667 1.654 5.457 1.00 1.83 H new ATOM 3565 N ILE B 82 5.738 3.990 0.812 1.00 0.17 N ATOM 3566 CA ILE B 82 6.213 4.649 -0.387 1.00 0.19 C ATOM 3567 C ILE B 82 5.129 5.568 -0.933 1.00 0.21 C ATOM 3568 O ILE B 82 5.306 6.780 -0.992 1.00 0.28 O ATOM 3569 CB ILE B 82 6.635 3.668 -1.503 1.00 0.19 C ATOM 3570 CG1 ILE B 82 7.647 2.653 -0.987 1.00 0.24 C ATOM 3571 CG2 ILE B 82 7.237 4.450 -2.656 1.00 0.24 C ATOM 3572 CD1 ILE B 82 8.500 2.058 -2.087 1.00 0.41 C ATOM 0 H ILE B 82 5.301 3.081 0.659 1.00 0.17 H new ATOM 0 HA ILE B 82 7.100 5.211 -0.094 1.00 0.19 H new ATOM 0 HB ILE B 82 5.752 3.125 -1.841 1.00 0.19 H new ATOM 0 HG12 ILE B 82 8.294 3.134 -0.253 1.00 0.24 H new ATOM 0 HG13 ILE B 82 7.119 1.852 -0.470 1.00 0.24 H new ATOM 0 HG21 ILE B 82 7.536 3.761 -3.446 1.00 0.24 H new ATOM 0 HG22 ILE B 82 6.498 5.150 -3.046 1.00 0.24 H new ATOM 0 HG23 ILE B 82 8.110 5.001 -2.305 1.00 0.24 H new ATOM 0 HD11 ILE B 82 9.201 1.343 -1.657 1.00 0.41 H new ATOM 0 HD12 ILE B 82 7.860 1.550 -2.809 1.00 0.41 H new ATOM 0 HD13 ILE B 82 9.054 2.852 -2.588 1.00 0.41 H new ATOM 3584 N ALA B 83 3.995 4.983 -1.299 1.00 0.26 N ATOM 3585 CA ALA B 83 2.901 5.740 -1.900 1.00 0.32 C ATOM 3586 C ALA B 83 2.448 6.878 -0.998 1.00 0.32 C ATOM 3587 O ALA B 83 2.171 7.978 -1.466 1.00 0.35 O ATOM 3588 CB ALA B 83 1.730 4.827 -2.211 1.00 0.42 C ATOM 0 H ALA B 83 3.808 3.986 -1.191 1.00 0.26 H new ATOM 0 HA ALA B 83 3.273 6.172 -2.829 1.00 0.32 H new ATOM 0 HB1 ALA B 83 0.924 5.409 -2.658 1.00 0.42 H new ATOM 0 HB2 ALA B 83 2.048 4.052 -2.908 1.00 0.42 H new ATOM 0 HB3 ALA B 83 1.375 4.364 -1.290 1.00 0.42 H new ATOM 3594 N MET B 84 2.391 6.617 0.298 1.00 0.33 N ATOM 3595 CA MET B 84 1.975 7.631 1.249 1.00 0.36 C ATOM 3596 C MET B 84 3.088 8.631 1.499 1.00 0.36 C ATOM 3597 O MET B 84 2.831 9.807 1.712 1.00 0.48 O ATOM 3598 CB MET B 84 1.519 7.005 2.554 1.00 0.38 C ATOM 3599 CG MET B 84 1.180 8.009 3.636 1.00 0.44 C ATOM 3600 SD MET B 84 0.996 7.207 5.232 1.00 0.38 S ATOM 3601 CE MET B 84 2.441 6.159 5.185 1.00 0.22 C ATOM 0 H MET B 84 2.627 5.715 0.713 1.00 0.33 H new ATOM 0 HA MET B 84 1.128 8.163 0.815 1.00 0.36 H new ATOM 0 HB2 MET B 84 0.643 6.385 2.361 1.00 0.38 H new ATOM 0 HB3 MET B 84 2.303 6.343 2.921 1.00 0.38 H new ATOM 0 HG2 MET B 84 1.964 8.764 3.694 1.00 0.44 H new ATOM 0 HG3 MET B 84 0.257 8.528 3.378 1.00 0.44 H new ATOM 0 HE1 MET B 84 2.754 5.926 6.203 1.00 0.22 H new ATOM 0 HE2 MET B 84 2.203 5.235 4.658 1.00 0.22 H new ATOM 0 HE3 MET B 84 3.248 6.676 4.666 1.00 0.22 H new ATOM 3611 N MET B 85 4.328 8.169 1.450 1.00 0.28 N ATOM 3612 CA MET B 85 5.473 9.054 1.588 1.00 0.29 C ATOM 3613 C MET B 85 5.421 10.146 0.519 1.00 0.34 C ATOM 3614 O MET B 85 5.906 11.262 0.710 1.00 0.48 O ATOM 3615 CB MET B 85 6.754 8.258 1.443 1.00 0.28 C ATOM 3616 CG MET B 85 7.997 9.071 1.723 1.00 0.32 C ATOM 3617 SD MET B 85 9.410 8.533 0.738 1.00 0.29 S ATOM 3618 CE MET B 85 9.471 6.817 1.224 1.00 0.25 C ATOM 0 H MET B 85 4.567 7.186 1.316 1.00 0.28 H new ATOM 0 HA MET B 85 5.447 9.519 2.573 1.00 0.29 H new ATOM 0 HB2 MET B 85 6.724 7.407 2.123 1.00 0.28 H new ATOM 0 HB3 MET B 85 6.811 7.856 0.432 1.00 0.28 H new ATOM 0 HG2 MET B 85 7.794 10.122 1.518 1.00 0.32 H new ATOM 0 HG3 MET B 85 8.246 8.995 2.781 1.00 0.32 H new ATOM 0 HE1 MET B 85 10.505 6.530 1.418 1.00 0.25 H new ATOM 0 HE2 MET B 85 8.879 6.674 2.128 1.00 0.25 H new ATOM 0 HE3 MET B 85 9.067 6.198 0.423 1.00 0.25 H new ATOM 3628 N CYS B 86 4.792 9.800 -0.599 1.00 0.31 N ATOM 3629 CA CYS B 86 4.655 10.690 -1.740 1.00 0.34 C ATOM 3630 C CYS B 86 3.797 11.919 -1.421 1.00 0.39 C ATOM 3631 O CYS B 86 3.871 12.925 -2.129 1.00 0.46 O ATOM 3632 CB CYS B 86 4.049 9.919 -2.916 1.00 0.39 C ATOM 3633 SG CYS B 86 3.646 10.941 -4.348 1.00 0.94 S ATOM 0 H CYS B 86 4.360 8.886 -0.737 1.00 0.31 H new ATOM 0 HA CYS B 86 5.650 11.052 -2.000 1.00 0.34 H new ATOM 0 HB2 CYS B 86 4.748 9.142 -3.225 1.00 0.39 H new ATOM 0 HB3 CYS B 86 3.143 9.416 -2.577 1.00 0.39 H new ATOM 0 HG CYS B 86 2.426 11.377 -4.240 1.00 0.94 H new ATOM 3639 N ASN B 87 2.989 11.856 -0.358 1.00 0.45 N ATOM 3640 CA ASN B 87 2.120 12.986 -0.008 1.00 0.58 C ATOM 3641 C ASN B 87 2.919 14.257 0.253 1.00 0.68 C ATOM 3642 O ASN B 87 2.387 15.361 0.183 1.00 0.89 O ATOM 3643 CB ASN B 87 1.178 12.682 1.183 1.00 0.72 C ATOM 3644 CG ASN B 87 1.849 12.381 2.532 1.00 1.10 C ATOM 3645 OD1 ASN B 87 2.970 13.015 2.837 1.00 1.72 O flip ATOM 3646 ND2 ASN B 87 1.328 11.594 3.319 1.00 1.77 N flip ATOM 0 H ASN B 87 2.918 11.052 0.265 1.00 0.45 H new ATOM 0 HA ASN B 87 1.488 13.150 -0.881 1.00 0.58 H new ATOM 0 HB2 ASN B 87 0.512 13.534 1.317 1.00 0.72 H new ATOM 0 HB3 ASN B 87 0.554 11.829 0.915 1.00 0.72 H new ATOM 0 HD21 ASN B 87 0.464 11.115 3.065 1.00 1.77 H new ATOM 0 HD22 ASN B 87 1.760 11.419 4.226 1.00 1.77 H new ATOM 3653 N GLU B 88 4.199 14.104 0.544 1.00 0.70 N ATOM 3654 CA GLU B 88 5.049 15.254 0.793 1.00 0.89 C ATOM 3655 C GLU B 88 5.519 15.878 -0.521 1.00 0.86 C ATOM 3656 O GLU B 88 5.730 17.085 -0.598 1.00 1.06 O ATOM 3657 CB GLU B 88 6.246 14.862 1.654 1.00 1.03 C ATOM 3658 CG GLU B 88 5.860 14.371 3.039 1.00 1.51 C ATOM 3659 CD GLU B 88 7.044 14.274 3.976 1.00 1.72 C ATOM 3660 OE1 GLU B 88 7.718 13.225 3.990 1.00 1.98 O ATOM 3661 OE2 GLU B 88 7.312 15.254 4.698 1.00 2.33 O ATOM 0 H GLU B 88 4.670 13.202 0.613 1.00 0.70 H new ATOM 0 HA GLU B 88 4.462 15.997 1.334 1.00 0.89 H new ATOM 0 HB2 GLU B 88 6.810 14.081 1.144 1.00 1.03 H new ATOM 0 HB3 GLU B 88 6.909 15.721 1.753 1.00 1.03 H new ATOM 0 HG2 GLU B 88 5.119 15.047 3.466 1.00 1.51 H new ATOM 0 HG3 GLU B 88 5.388 13.392 2.954 1.00 1.51 H new ATOM 3668 N PHE B 89 5.676 15.046 -1.542 1.00 0.69 N ATOM 3669 CA PHE B 89 6.143 15.498 -2.848 1.00 0.71 C ATOM 3670 C PHE B 89 4.987 15.860 -3.775 1.00 0.73 C ATOM 3671 O PHE B 89 4.744 17.032 -4.056 1.00 0.88 O ATOM 3672 CB PHE B 89 6.998 14.411 -3.502 1.00 0.69 C ATOM 3673 CG PHE B 89 8.303 14.174 -2.802 1.00 0.91 C ATOM 3674 CD1 PHE B 89 9.422 14.918 -3.136 1.00 1.65 C ATOM 3675 CD2 PHE B 89 8.411 13.213 -1.812 1.00 1.53 C ATOM 3676 CE1 PHE B 89 10.627 14.707 -2.497 1.00 1.99 C ATOM 3677 CE2 PHE B 89 9.613 12.998 -1.168 1.00 1.89 C ATOM 3678 CZ PHE B 89 10.722 13.745 -1.512 1.00 1.81 C ATOM 0 H PHE B 89 5.485 14.045 -1.490 1.00 0.69 H new ATOM 0 HA PHE B 89 6.739 16.397 -2.687 1.00 0.71 H new ATOM 0 HB2 PHE B 89 6.432 13.479 -3.524 1.00 0.69 H new ATOM 0 HB3 PHE B 89 7.195 14.689 -4.537 1.00 0.69 H new ATOM 0 HD1 PHE B 89 9.351 15.672 -3.906 1.00 1.65 H new ATOM 0 HD2 PHE B 89 7.546 12.625 -1.541 1.00 1.53 H new ATOM 0 HE1 PHE B 89 11.493 15.293 -2.767 1.00 1.99 H new ATOM 0 HE2 PHE B 89 9.686 12.246 -0.396 1.00 1.89 H new ATOM 0 HZ PHE B 89 11.664 13.577 -1.010 1.00 1.81 H new ATOM 3688 N PHE B 90 4.265 14.840 -4.222 1.00 0.63 N ATOM 3689 CA PHE B 90 3.239 14.999 -5.247 1.00 0.66 C ATOM 3690 C PHE B 90 1.960 15.593 -4.670 1.00 0.69 C ATOM 3691 O PHE B 90 1.464 16.612 -5.153 1.00 0.83 O ATOM 3692 CB PHE B 90 2.948 13.640 -5.888 1.00 0.69 C ATOM 3693 CG PHE B 90 1.893 13.670 -6.959 1.00 0.95 C ATOM 3694 CD1 PHE B 90 2.209 14.068 -8.248 1.00 1.79 C ATOM 3695 CD2 PHE B 90 0.587 13.292 -6.679 1.00 1.44 C ATOM 3696 CE1 PHE B 90 1.246 14.091 -9.238 1.00 2.09 C ATOM 3697 CE2 PHE B 90 -0.380 13.314 -7.665 1.00 1.68 C ATOM 3698 CZ PHE B 90 -0.051 13.714 -8.945 1.00 1.67 C ATOM 0 H PHE B 90 4.373 13.883 -3.886 1.00 0.63 H new ATOM 0 HA PHE B 90 3.611 15.691 -6.002 1.00 0.66 H new ATOM 0 HB2 PHE B 90 3.871 13.249 -6.316 1.00 0.69 H new ATOM 0 HB3 PHE B 90 2.637 12.944 -5.109 1.00 0.69 H new ATOM 0 HD1 PHE B 90 3.221 14.364 -8.482 1.00 1.79 H new ATOM 0 HD2 PHE B 90 0.324 12.977 -5.680 1.00 1.44 H new ATOM 0 HE1 PHE B 90 1.506 14.403 -10.239 1.00 2.09 H new ATOM 0 HE2 PHE B 90 -1.393 13.018 -7.435 1.00 1.68 H new ATOM 0 HZ PHE B 90 -0.807 13.732 -9.717 1.00 1.67 H new