USER MOD reduce.3.24.130724 H: found=0, std=0, add=1025, rem=0, adj=45 USER MOD reduce.3.24.130724 removed 1026 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: A1996 SER OG : rot 126:sc= 0.625 USER MOD Set 1.2: A2021 HIS : no HE2:sc= 0.768 K(o=1.4,f=-3.4!) USER MOD Set 2.1: A1969 LYS NZ :NH3+ 139:sc= 1.25 (180deg=-0.0261) USER MOD Set 2.2: A1991 SER OG : rot 170:sc= 1.03 USER MOD Set 3.1: A1988 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A2016 SER OG : rot 180:sc= -1.1 USER MOD Set 4.1: A1984 MET CE :methyl -158:sc= -0.146 (180deg=-0.671) USER MOD Set 4.2: A2013 THR OG1 : rot -25:sc= 0.587 USER MOD Set 5.1: A1891 ASN : amide:sc= -0.744 K(o=1.5,f=-0.21) USER MOD Set 5.2: A1959 LYS NZ :NH3+ 175:sc= 2.26 (180deg=2.22) USER MOD Set 6.1: A1956 LYS NZ :NH3+ -109:sc= 1.32 (180deg=-0.299) USER MOD Set 6.2: A1958 SER OG : rot 166:sc= 1.1 USER MOD Set 7.1: A1888 ASN : amide:sc= 0.927 K(o=2,f=-1.9!) USER MOD Set 7.2: A1910 LYS NZ :NH3+ 142:sc= 1.04 (180deg=0.228) USER MOD Set 8.1: A1897 ASN : amide:sc= 0.925 K(o=0.92,f=-9.4!) USER MOD Set 8.2: A1900 THR OG1 : rot 180:sc= 0 USER MOD Single : A1887 SER OG : rot 26:sc= -0.879! USER MOD Single : A1890 GLN : amide:sc= -6.79! C(o=-6.8!,f=-4.6!) USER MOD Single : A1896 THR OG1 : rot 180:sc= 0 USER MOD Single : A1902 HIS : no HD1:sc=-0.00357 X(o=-0.0036,f=0) USER MOD Single : A1907 THR OG1 : rot -82:sc= 1.17 USER MOD Single : A1908 SER OG : rot -42:sc= 0.249 USER MOD Single : A1913 SER OG : rot 180:sc= 0 USER MOD Single : A1915 TYR OH : rot 148:sc= -4! USER MOD Single : A1916 THR OG1 : rot 180:sc= 0 USER MOD Single : A1918 THR OG1 : rot 180:sc= 0 USER MOD Single : A1920 SER OG : rot 180:sc= 0.0299 USER MOD Single : A1921 HIS : no HD1:sc= 0 X(o=0,f=-0.0097) USER MOD Single : A1922 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A1924 LYS NZ :NH3+ 167:sc= 1.08 (180deg=0.857) USER MOD Single : A1928 ASN : amide:sc= 0.169 K(o=0.17,f=-6.9!) USER MOD Single : A1934 LYS NZ :NH3+ -160:sc= -0.0372 (180deg=-0.398) USER MOD Single : A1935 SER OG : rot -169:sc= -0.439 USER MOD Single : A1936 SER OG : rot 71:sc= 1.24 USER MOD Single : A1939 ASN : amide:sc= -0.0734 K(o=-0.073,f=-4.4!) USER MOD Single : A1946 THR OG1 : rot -110:sc= -0.129 USER MOD Single : A1950 LYS NZ :NH3+ -171:sc= 1.18 (180deg=0.79) USER MOD Single : A1951 THR OG1 : rot 180:sc= 0 USER MOD Single : A1953 ASN : amide:sc= -0.716 K(o=-0.72,f=0) USER MOD Single : A1960 THR OG1 : rot 180:sc= 0 USER MOD Single : A1962 THR OG1 : rot 180:sc= -0.19 USER MOD Single : A1963 TYR OH : rot 180:sc= 0 USER MOD Single : A1966 GLN : amide:sc=-0.00524 K(o=-0.0052,f=-0.8) USER MOD Single : A1972 TYR OH : rot 17:sc= 0.216 USER MOD Single : A1980 THR OG1 : rot 170:sc= 0 USER MOD Single : A1983 LYS NZ :NH3+ -166:sc= -0.028 (180deg=-0.266) USER MOD Single : A1985 LYS NZ :NH3+ 178:sc= 2.42 (180deg=2.36) USER MOD Single : A1986 HIS : no HD1:sc= -0.678 C(o=-0.56!,f=-6!) USER MOD Single : A1987 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0914) USER MOD Single : A1989 TYR OH : rot 180:sc= 0 USER MOD Single : A1995 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A2002 SER OG : rot 68:sc= 0.237 USER MOD Single : A2003 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A2008 SER OG : rot -121:sc= 1.22 USER MOD Single : A2012 GLN : amide:sc= -0.0122 X(o=-0.012,f=-0.012) USER MOD Single : A2015 THR OG1 : rot 180:sc= 0.00202 USER MOD Single : A2017 TYR OH : rot 180:sc= 0 USER MOD Single : A2019 SER OG : rot 180:sc= 0 USER MOD Single : A2022 THR OG1 : rot -140:sc= 0 USER MOD Single : A2023 SER OG : rot 180:sc= -1.16 USER MOD ----------------------------------------------------------------- ATOM 42 N SER A1887 11.305 9.652 6.323 1.00 1.11 N ATOM 43 CA SER A1887 10.290 10.591 6.706 1.00 1.23 C ATOM 44 C SER A1887 9.782 10.345 8.136 1.00 1.05 C ATOM 45 O SER A1887 10.311 10.921 9.093 1.00 1.33 O ATOM 46 CB SER A1887 9.167 10.620 5.674 1.00 1.99 C ATOM 47 OG SER A1887 9.713 10.848 4.371 1.00 2.83 O ATOM 0 HA SER A1887 10.739 11.584 6.723 1.00 1.23 H new ATOM 0 HB2 SER A1887 8.621 9.676 5.690 1.00 1.99 H new ATOM 0 HB3 SER A1887 8.453 11.405 5.922 1.00 1.99 H new ATOM 0 HG SER A1887 10.640 10.530 4.344 1.00 2.83 H new ATOM 53 N ASN A1888 8.842 9.454 8.313 1.00 0.86 N ATOM 54 CA ASN A1888 8.276 9.247 9.634 1.00 0.91 C ATOM 55 C ASN A1888 8.071 7.775 9.895 1.00 0.87 C ATOM 56 O ASN A1888 7.811 7.019 8.977 1.00 1.23 O ATOM 57 CB ASN A1888 6.973 10.065 9.785 1.00 1.19 C ATOM 58 CG ASN A1888 6.274 9.917 11.133 1.00 1.37 C ATOM 59 OD1 ASN A1888 6.886 9.610 12.151 1.00 1.91 O ATOM 60 ND2 ASN A1888 5.014 10.219 11.164 1.00 1.53 N ATOM 0 H ASN A1888 8.452 8.865 7.577 1.00 0.86 H new ATOM 0 HA ASN A1888 8.973 9.607 10.391 1.00 0.91 H new ATOM 0 HB2 ASN A1888 7.202 11.119 9.625 1.00 1.19 H new ATOM 0 HB3 ASN A1888 6.280 9.766 8.998 1.00 1.19 H new ATOM 0 HD21 ASN A1888 4.508 10.205 12.049 1.00 1.53 H new ATOM 0 HD22 ASN A1888 4.529 10.471 10.303 1.00 1.53 H new ATOM 67 N VAL A1889 8.224 7.376 11.137 1.00 0.91 N ATOM 68 CA VAL A1889 8.115 5.997 11.541 1.00 1.02 C ATOM 69 C VAL A1889 6.713 5.441 11.335 1.00 1.13 C ATOM 70 O VAL A1889 5.698 6.131 11.528 1.00 1.41 O ATOM 71 CB VAL A1889 8.578 5.767 13.011 1.00 1.34 C ATOM 72 CG1 VAL A1889 10.056 6.079 13.158 1.00 1.98 C ATOM 73 CG2 VAL A1889 7.762 6.604 13.994 1.00 2.12 C ATOM 0 H VAL A1889 8.431 8.013 11.906 1.00 0.91 H new ATOM 0 HA VAL A1889 8.793 5.448 10.888 1.00 1.02 H new ATOM 0 HB VAL A1889 8.412 4.716 13.248 1.00 1.34 H new ATOM 0 HG11 VAL A1889 10.362 5.913 14.191 1.00 1.98 H new ATOM 0 HG12 VAL A1889 10.632 5.429 12.500 1.00 1.98 H new ATOM 0 HG13 VAL A1889 10.237 7.120 12.889 1.00 1.98 H new ATOM 0 HG21 VAL A1889 8.113 6.418 15.009 1.00 2.12 H new ATOM 0 HG22 VAL A1889 7.881 7.661 13.757 1.00 2.12 H new ATOM 0 HG23 VAL A1889 6.709 6.331 13.918 1.00 2.12 H new ATOM 83 N GLN A1890 6.674 4.207 10.930 1.00 1.17 N ATOM 84 CA GLN A1890 5.443 3.479 10.671 1.00 1.48 C ATOM 85 C GLN A1890 5.083 2.604 11.855 1.00 1.69 C ATOM 86 O GLN A1890 4.093 1.867 11.812 1.00 2.49 O ATOM 87 CB GLN A1890 5.627 2.596 9.443 1.00 1.71 C ATOM 88 CG GLN A1890 5.658 3.321 8.128 1.00 1.52 C ATOM 89 CD GLN A1890 6.106 2.440 6.992 1.00 2.03 C ATOM 90 OE1 GLN A1890 6.938 1.568 7.157 1.00 2.63 O ATOM 91 NE2 GLN A1890 5.501 2.601 5.860 1.00 2.40 N ATOM 0 H GLN A1890 7.514 3.653 10.763 1.00 1.17 H new ATOM 0 HA GLN A1890 4.642 4.199 10.503 1.00 1.48 H new ATOM 0 HB2 GLN A1890 6.557 2.038 9.553 1.00 1.71 H new ATOM 0 HB3 GLN A1890 4.818 1.865 9.417 1.00 1.71 H new ATOM 0 HG2 GLN A1890 4.664 3.712 7.909 1.00 1.52 H new ATOM 0 HG3 GLN A1890 6.328 4.177 8.205 1.00 1.52 H new ATOM 0 HE21 GLN A1890 4.808 3.342 5.753 1.00 2.40 H new ATOM 0 HE22 GLN A1890 5.717 1.987 5.074 1.00 2.40 H new ATOM 100 N ASN A1891 5.896 2.700 12.917 1.00 1.59 N ATOM 101 CA ASN A1891 5.781 1.884 14.164 1.00 1.88 C ATOM 102 C ASN A1891 6.369 0.506 13.927 1.00 1.48 C ATOM 103 O ASN A1891 7.335 0.106 14.583 1.00 1.86 O ATOM 104 CB ASN A1891 4.324 1.776 14.702 1.00 2.50 C ATOM 105 CG ASN A1891 3.710 3.116 15.063 1.00 3.17 C ATOM 106 OD1 ASN A1891 2.513 3.336 14.856 1.00 3.82 O ATOM 107 ND2 ASN A1891 4.489 3.993 15.637 1.00 3.53 N ATOM 0 H ASN A1891 6.674 3.359 12.947 1.00 1.59 H new ATOM 0 HA ASN A1891 6.347 2.402 14.938 1.00 1.88 H new ATOM 0 HB2 ASN A1891 3.702 1.292 13.949 1.00 2.50 H new ATOM 0 HB3 ASN A1891 4.317 1.133 15.582 1.00 2.50 H new ATOM 0 HD21 ASN A1891 4.113 4.895 15.930 1.00 3.53 H new ATOM 0 HD22 ASN A1891 5.474 3.776 15.792 1.00 3.53 H new ATOM 114 N ASP A1892 5.828 -0.179 12.964 1.00 1.00 N ATOM 115 CA ASP A1892 6.298 -1.492 12.564 1.00 1.01 C ATOM 116 C ASP A1892 6.506 -1.395 11.056 1.00 1.00 C ATOM 117 O ASP A1892 6.752 -0.291 10.565 1.00 1.59 O ATOM 118 CB ASP A1892 5.242 -2.577 12.921 1.00 1.40 C ATOM 119 CG ASP A1892 5.802 -4.007 12.947 1.00 2.05 C ATOM 120 OD1 ASP A1892 5.969 -4.642 11.873 1.00 2.66 O ATOM 121 OD2 ASP A1892 6.084 -4.522 14.045 1.00 2.61 O ATOM 0 H ASP A1892 5.034 0.156 12.419 1.00 1.00 H new ATOM 0 HA ASP A1892 7.216 -1.779 13.076 1.00 1.01 H new ATOM 0 HB2 ASP A1892 4.815 -2.347 13.897 1.00 1.40 H new ATOM 0 HB3 ASP A1892 4.428 -2.529 12.198 1.00 1.40 H new ATOM 126 N CYS A1893 6.392 -2.498 10.347 1.00 0.74 N ATOM 127 CA CYS A1893 6.567 -2.563 8.898 1.00 0.87 C ATOM 128 C CYS A1893 8.000 -2.287 8.514 1.00 0.75 C ATOM 129 O CYS A1893 8.392 -1.146 8.242 1.00 0.80 O ATOM 130 CB CYS A1893 5.596 -1.646 8.143 1.00 1.17 C ATOM 131 SG CYS A1893 5.729 -1.699 6.322 1.00 1.58 S ATOM 0 H CYS A1893 6.170 -3.401 10.766 1.00 0.74 H new ATOM 0 HA CYS A1893 6.324 -3.582 8.595 1.00 0.87 H new ATOM 0 HB2 CYS A1893 4.577 -1.913 8.424 1.00 1.17 H new ATOM 0 HB3 CYS A1893 5.760 -0.620 8.473 1.00 1.17 H new ATOM 136 N ARG A1894 8.792 -3.328 8.562 1.00 0.73 N ATOM 137 CA ARG A1894 10.182 -3.248 8.225 1.00 0.73 C ATOM 138 C ARG A1894 10.702 -4.676 8.113 1.00 0.72 C ATOM 139 O ARG A1894 10.277 -5.546 8.883 1.00 0.92 O ATOM 140 CB ARG A1894 10.955 -2.418 9.292 1.00 0.85 C ATOM 141 CG ARG A1894 11.263 -3.123 10.606 1.00 1.21 C ATOM 142 CD ARG A1894 11.810 -2.153 11.643 1.00 1.35 C ATOM 143 NE ARG A1894 10.746 -1.328 12.256 1.00 1.45 N ATOM 144 CZ ARG A1894 10.873 -0.047 12.652 1.00 1.80 C ATOM 145 NH1 ARG A1894 11.907 0.691 12.247 1.00 2.09 N ATOM 146 NH2 ARG A1894 9.923 0.508 13.407 1.00 2.57 N ATOM 0 H ARG A1894 8.483 -4.260 8.839 1.00 0.73 H new ATOM 0 HA ARG A1894 10.331 -2.733 7.276 1.00 0.73 H new ATOM 0 HB2 ARG A1894 11.896 -2.089 8.852 1.00 0.85 H new ATOM 0 HB3 ARG A1894 10.376 -1.522 9.513 1.00 0.85 H new ATOM 0 HG2 ARG A1894 10.358 -3.594 10.989 1.00 1.21 H new ATOM 0 HG3 ARG A1894 11.987 -3.919 10.432 1.00 1.21 H new ATOM 0 HD2 ARG A1894 12.328 -2.712 12.422 1.00 1.35 H new ATOM 0 HD3 ARG A1894 12.547 -1.501 11.174 1.00 1.35 H new ATOM 0 HE ARG A1894 9.836 -1.768 12.391 1.00 1.45 H new ATOM 0 HH11 ARG A1894 12.612 0.286 11.631 1.00 2.09 H new ATOM 0 HH12 ARG A1894 11.993 1.660 12.553 1.00 2.09 H new ATOM 0 HH21 ARG A1894 9.106 -0.038 13.681 1.00 2.57 H new ATOM 0 HH22 ARG A1894 10.014 1.478 13.710 1.00 2.57 H new ATOM 160 N VAL A1895 11.543 -4.945 7.144 1.00 0.58 N ATOM 161 CA VAL A1895 12.062 -6.298 6.943 1.00 0.60 C ATOM 162 C VAL A1895 13.436 -6.245 6.251 1.00 0.52 C ATOM 163 O VAL A1895 13.695 -5.351 5.454 1.00 0.47 O ATOM 164 CB VAL A1895 11.052 -7.175 6.118 1.00 0.63 C ATOM 165 CG1 VAL A1895 10.858 -6.653 4.697 1.00 0.57 C ATOM 166 CG2 VAL A1895 11.448 -8.647 6.120 1.00 0.72 C ATOM 0 H VAL A1895 11.889 -4.254 6.478 1.00 0.58 H new ATOM 0 HA VAL A1895 12.184 -6.766 7.920 1.00 0.60 H new ATOM 0 HB VAL A1895 10.088 -7.093 6.621 1.00 0.63 H new ATOM 0 HG11 VAL A1895 10.152 -7.293 4.168 1.00 0.57 H new ATOM 0 HG12 VAL A1895 10.469 -5.635 4.733 1.00 0.57 H new ATOM 0 HG13 VAL A1895 11.814 -6.658 4.174 1.00 0.57 H new ATOM 0 HG21 VAL A1895 10.725 -9.219 5.539 1.00 0.72 H new ATOM 0 HG22 VAL A1895 12.438 -8.758 5.678 1.00 0.72 H new ATOM 0 HG23 VAL A1895 11.465 -9.018 7.145 1.00 0.72 H new ATOM 176 N THR A1896 14.306 -7.162 6.580 1.00 0.63 N ATOM 177 CA THR A1896 15.636 -7.194 6.006 1.00 0.69 C ATOM 178 C THR A1896 15.675 -8.068 4.737 1.00 0.69 C ATOM 179 O THR A1896 15.080 -9.140 4.696 1.00 0.76 O ATOM 180 CB THR A1896 16.644 -7.727 7.045 1.00 0.89 C ATOM 181 OG1 THR A1896 16.478 -6.996 8.275 1.00 0.98 O ATOM 182 CG2 THR A1896 18.084 -7.557 6.559 1.00 1.02 C ATOM 0 H THR A1896 14.120 -7.908 7.250 1.00 0.63 H new ATOM 0 HA THR A1896 15.909 -6.177 5.725 1.00 0.69 H new ATOM 0 HB THR A1896 16.453 -8.789 7.196 1.00 0.89 H new ATOM 0 HG1 THR A1896 17.114 -7.329 8.942 1.00 0.98 H new ATOM 0 HG21 THR A1896 18.770 -7.942 7.313 1.00 1.02 H new ATOM 0 HG22 THR A1896 18.221 -8.108 5.628 1.00 1.02 H new ATOM 0 HG23 THR A1896 18.288 -6.500 6.389 1.00 1.02 H new ATOM 190 N ASN A1897 16.348 -7.578 3.708 1.00 0.75 N ATOM 191 CA ASN A1897 16.534 -8.322 2.467 1.00 0.88 C ATOM 192 C ASN A1897 17.913 -8.964 2.515 1.00 1.04 C ATOM 193 O ASN A1897 18.915 -8.248 2.495 1.00 1.06 O ATOM 194 CB ASN A1897 16.456 -7.374 1.246 1.00 0.95 C ATOM 195 CG ASN A1897 16.599 -8.074 -0.126 1.00 1.17 C ATOM 196 OD1 ASN A1897 17.210 -9.125 -0.253 1.00 1.65 O ATOM 197 ND2 ASN A1897 16.074 -7.463 -1.158 1.00 1.21 N ATOM 0 H ASN A1897 16.781 -6.655 3.707 1.00 0.75 H new ATOM 0 HA ASN A1897 15.752 -9.075 2.367 1.00 0.88 H new ATOM 0 HB2 ASN A1897 15.502 -6.848 1.272 1.00 0.95 H new ATOM 0 HB3 ASN A1897 17.238 -6.621 1.338 1.00 0.95 H new ATOM 0 HD21 ASN A1897 16.171 -7.863 -2.091 1.00 1.21 H new ATOM 0 HD22 ASN A1897 15.568 -6.587 -1.029 1.00 1.21 H new ATOM 204 N PRO A1898 17.988 -10.303 2.563 1.00 1.26 N ATOM 205 CA PRO A1898 19.265 -11.041 2.658 1.00 1.47 C ATOM 206 C PRO A1898 20.201 -10.827 1.459 1.00 1.54 C ATOM 207 O PRO A1898 21.415 -11.008 1.569 1.00 1.71 O ATOM 208 CB PRO A1898 18.827 -12.512 2.722 1.00 1.73 C ATOM 209 CG PRO A1898 17.446 -12.525 2.170 1.00 1.69 C ATOM 210 CD PRO A1898 16.837 -11.217 2.560 1.00 1.40 C ATOM 0 HA PRO A1898 19.842 -10.700 3.517 1.00 1.47 H new ATOM 0 HB2 PRO A1898 19.492 -13.148 2.138 1.00 1.73 H new ATOM 0 HB3 PRO A1898 18.847 -12.886 3.746 1.00 1.73 H new ATOM 0 HG2 PRO A1898 17.460 -12.642 1.086 1.00 1.69 H new ATOM 0 HG3 PRO A1898 16.872 -13.359 2.573 1.00 1.69 H new ATOM 0 HD2 PRO A1898 16.072 -10.901 1.851 1.00 1.40 H new ATOM 0 HD3 PRO A1898 16.361 -11.270 3.539 1.00 1.40 H new ATOM 218 N ALA A1899 19.649 -10.446 0.330 1.00 1.48 N ATOM 219 CA ALA A1899 20.445 -10.242 -0.857 1.00 1.62 C ATOM 220 C ALA A1899 21.074 -8.864 -0.843 1.00 1.54 C ATOM 221 O ALA A1899 22.236 -8.694 -1.213 1.00 1.69 O ATOM 222 CB ALA A1899 19.603 -10.431 -2.104 1.00 1.72 C ATOM 0 H ALA A1899 18.651 -10.271 0.209 1.00 1.48 H new ATOM 0 HA ALA A1899 21.243 -10.985 -0.868 1.00 1.62 H new ATOM 0 HB1 ALA A1899 20.221 -10.273 -2.988 1.00 1.72 H new ATOM 0 HB2 ALA A1899 19.199 -11.443 -2.120 1.00 1.72 H new ATOM 0 HB3 ALA A1899 18.783 -9.713 -2.102 1.00 1.72 H new ATOM 228 N THR A1900 20.314 -7.892 -0.408 1.00 1.37 N ATOM 229 CA THR A1900 20.771 -6.521 -0.371 1.00 1.38 C ATOM 230 C THR A1900 21.583 -6.237 0.904 1.00 1.36 C ATOM 231 O THR A1900 22.526 -5.440 0.895 1.00 1.53 O ATOM 232 CB THR A1900 19.552 -5.566 -0.470 1.00 1.31 C ATOM 233 OG1 THR A1900 18.770 -5.960 -1.598 1.00 1.45 O ATOM 234 CG2 THR A1900 19.991 -4.124 -0.675 1.00 1.46 C ATOM 0 H THR A1900 19.361 -8.025 -0.069 1.00 1.37 H new ATOM 0 HA THR A1900 21.431 -6.350 -1.222 1.00 1.38 H new ATOM 0 HB THR A1900 18.984 -5.627 0.458 1.00 1.31 H new ATOM 0 HG1 THR A1900 17.992 -5.370 -1.679 1.00 1.45 H new ATOM 0 HG21 THR A1900 19.113 -3.482 -0.740 1.00 1.46 H new ATOM 0 HG22 THR A1900 20.609 -3.809 0.166 1.00 1.46 H new ATOM 0 HG23 THR A1900 20.566 -4.046 -1.598 1.00 1.46 H new ATOM 242 N GLY A1901 21.210 -6.883 1.994 1.00 1.23 N ATOM 243 CA GLY A1901 21.879 -6.660 3.258 1.00 1.29 C ATOM 244 C GLY A1901 21.317 -5.442 3.954 1.00 1.27 C ATOM 245 O GLY A1901 21.823 -4.995 4.979 1.00 1.46 O ATOM 0 H GLY A1901 20.450 -7.563 2.027 1.00 1.23 H new ATOM 0 HA2 GLY A1901 21.762 -7.536 3.896 1.00 1.29 H new ATOM 0 HA3 GLY A1901 22.948 -6.528 3.091 1.00 1.29 H new ATOM 249 N HIS A1902 20.278 -4.888 3.377 1.00 1.12 N ATOM 250 CA HIS A1902 19.628 -3.724 3.925 1.00 1.15 C ATOM 251 C HIS A1902 18.277 -4.088 4.446 1.00 0.91 C ATOM 252 O HIS A1902 17.705 -5.125 4.072 1.00 0.84 O ATOM 253 CB HIS A1902 19.491 -2.574 2.907 1.00 1.34 C ATOM 254 CG HIS A1902 20.777 -1.910 2.524 1.00 2.00 C ATOM 255 ND1 HIS A1902 20.931 -1.202 1.368 1.00 2.46 N ATOM 256 CD2 HIS A1902 21.960 -1.824 3.167 1.00 2.87 C ATOM 257 CE1 HIS A1902 22.141 -0.715 1.305 1.00 3.18 C ATOM 258 NE2 HIS A1902 22.785 -1.076 2.386 1.00 3.41 N ATOM 0 H HIS A1902 19.859 -5.233 2.513 1.00 1.12 H new ATOM 0 HA HIS A1902 20.264 -3.366 4.735 1.00 1.15 H new ATOM 0 HB2 HIS A1902 19.017 -2.962 2.005 1.00 1.34 H new ATOM 0 HB3 HIS A1902 18.820 -1.821 3.321 1.00 1.34 H new ATOM 0 HD2 HIS A1902 22.206 -2.266 4.122 1.00 2.87 H new ATOM 0 HE1 HIS A1902 22.542 -0.117 0.500 1.00 3.18 H new ATOM 0 HE2 HIS A1902 23.751 -0.835 2.607 1.00 3.41 H new ATOM 267 N LEU A1903 17.771 -3.252 5.279 1.00 0.87 N ATOM 268 CA LEU A1903 16.490 -3.432 5.861 1.00 0.75 C ATOM 269 C LEU A1903 15.557 -2.416 5.245 1.00 0.70 C ATOM 270 O LEU A1903 15.853 -1.213 5.230 1.00 0.88 O ATOM 271 CB LEU A1903 16.600 -3.302 7.401 1.00 0.94 C ATOM 272 CG LEU A1903 15.347 -3.596 8.252 1.00 0.99 C ATOM 273 CD1 LEU A1903 15.749 -3.807 9.685 1.00 1.34 C ATOM 274 CD2 LEU A1903 14.366 -2.448 8.209 1.00 1.48 C ATOM 0 H LEU A1903 18.248 -2.403 5.582 1.00 0.87 H new ATOM 0 HA LEU A1903 16.089 -4.426 5.663 1.00 0.75 H new ATOM 0 HB2 LEU A1903 17.393 -3.971 7.735 1.00 0.94 H new ATOM 0 HB3 LEU A1903 16.924 -2.286 7.626 1.00 0.94 H new ATOM 0 HG LEU A1903 14.874 -4.488 7.841 1.00 0.99 H new ATOM 0 HD11 LEU A1903 14.863 -4.015 10.285 1.00 1.34 H new ATOM 0 HD12 LEU A1903 16.437 -4.650 9.750 1.00 1.34 H new ATOM 0 HD13 LEU A1903 16.240 -2.909 10.061 1.00 1.34 H new ATOM 0 HD21 LEU A1903 13.496 -2.690 8.819 1.00 1.48 H new ATOM 0 HD22 LEU A1903 14.842 -1.548 8.597 1.00 1.48 H new ATOM 0 HD23 LEU A1903 14.051 -2.277 7.180 1.00 1.48 H new ATOM 286 N PHE A1904 14.460 -2.890 4.734 1.00 0.53 N ATOM 287 CA PHE A1904 13.505 -2.047 4.090 1.00 0.51 C ATOM 288 C PHE A1904 12.449 -1.644 5.070 1.00 0.48 C ATOM 289 O PHE A1904 11.848 -2.494 5.737 1.00 0.49 O ATOM 290 CB PHE A1904 12.780 -2.761 2.949 1.00 0.51 C ATOM 291 CG PHE A1904 13.619 -3.349 1.862 1.00 0.58 C ATOM 292 CD1 PHE A1904 14.731 -2.657 1.428 1.00 1.01 C ATOM 293 CD2 PHE A1904 13.346 -4.592 1.313 1.00 0.71 C ATOM 294 CE1 PHE A1904 15.556 -3.168 0.471 1.00 1.17 C ATOM 295 CE2 PHE A1904 14.174 -5.124 0.342 1.00 0.79 C ATOM 296 CZ PHE A1904 15.065 -4.460 -0.222 1.00 0.86 C ATOM 0 H PHE A1904 14.204 -3.877 4.754 1.00 0.53 H new ATOM 0 HA PHE A1904 14.059 -1.193 3.700 1.00 0.51 H new ATOM 0 HB2 PHE A1904 12.179 -3.561 3.381 1.00 0.51 H new ATOM 0 HB3 PHE A1904 12.088 -2.052 2.494 1.00 0.51 H new ATOM 0 HD1 PHE A1904 14.952 -1.690 1.856 1.00 1.01 H new ATOM 0 HD2 PHE A1904 12.482 -5.148 1.645 1.00 0.71 H new ATOM 0 HE1 PHE A1904 16.494 -2.700 0.213 1.00 1.17 H new ATOM 0 HE2 PHE A1904 14.043 -6.158 0.060 1.00 0.79 H new ATOM 0 HZ PHE A1904 15.482 -4.777 -1.166 1.00 0.86 H new ATOM 306 N ASP A1905 12.271 -0.382 5.194 1.00 0.57 N ATOM 307 CA ASP A1905 11.171 0.186 5.913 1.00 0.61 C ATOM 308 C ASP A1905 10.678 1.337 5.085 1.00 0.55 C ATOM 309 O ASP A1905 11.469 2.033 4.439 1.00 0.71 O ATOM 310 CB ASP A1905 11.510 0.608 7.365 1.00 0.88 C ATOM 311 CG ASP A1905 12.551 1.688 7.496 1.00 1.37 C ATOM 312 OD1 ASP A1905 12.235 2.860 7.302 1.00 1.97 O ATOM 313 OD2 ASP A1905 13.716 1.378 7.864 1.00 1.95 O ATOM 0 H ASP A1905 12.899 0.313 4.790 1.00 0.57 H new ATOM 0 HA ASP A1905 10.397 -0.569 6.050 1.00 0.61 H new ATOM 0 HB2 ASP A1905 10.595 0.948 7.850 1.00 0.88 H new ATOM 0 HB3 ASP A1905 11.852 -0.271 7.911 1.00 0.88 H new ATOM 318 N LEU A1906 9.402 1.528 5.055 1.00 0.48 N ATOM 319 CA LEU A1906 8.807 2.494 4.158 1.00 0.48 C ATOM 320 C LEU A1906 8.444 3.777 4.890 1.00 0.52 C ATOM 321 O LEU A1906 7.457 4.445 4.555 1.00 0.71 O ATOM 322 CB LEU A1906 7.583 1.855 3.484 1.00 0.50 C ATOM 323 CG LEU A1906 7.890 0.670 2.558 1.00 0.47 C ATOM 324 CD1 LEU A1906 6.624 -0.050 2.165 1.00 0.53 C ATOM 325 CD2 LEU A1906 8.595 1.153 1.310 1.00 0.54 C ATOM 0 H LEU A1906 8.735 1.028 5.643 1.00 0.48 H new ATOM 0 HA LEU A1906 9.529 2.772 3.391 1.00 0.48 H new ATOM 0 HB2 LEU A1906 6.895 1.520 4.260 1.00 0.50 H new ATOM 0 HB3 LEU A1906 7.065 2.621 2.907 1.00 0.50 H new ATOM 0 HG LEU A1906 8.535 -0.021 3.101 1.00 0.47 H new ATOM 0 HD11 LEU A1906 6.869 -0.885 1.509 1.00 0.53 H new ATOM 0 HD12 LEU A1906 6.126 -0.425 3.059 1.00 0.53 H new ATOM 0 HD13 LEU A1906 5.961 0.639 1.642 1.00 0.53 H new ATOM 0 HD21 LEU A1906 8.808 0.304 0.661 1.00 0.54 H new ATOM 0 HD22 LEU A1906 7.957 1.862 0.783 1.00 0.54 H new ATOM 0 HD23 LEU A1906 9.529 1.642 1.586 1.00 0.54 H new ATOM 337 N THR A1907 9.287 4.161 5.828 1.00 0.66 N ATOM 338 CA THR A1907 9.072 5.347 6.645 1.00 0.74 C ATOM 339 C THR A1907 8.999 6.634 5.804 1.00 0.69 C ATOM 340 O THR A1907 8.270 7.568 6.131 1.00 0.70 O ATOM 341 CB THR A1907 10.170 5.471 7.711 1.00 1.11 C ATOM 342 OG1 THR A1907 11.454 5.324 7.087 1.00 1.59 O ATOM 343 CG2 THR A1907 9.991 4.413 8.790 1.00 1.13 C ATOM 0 H THR A1907 10.147 3.658 6.049 1.00 0.66 H new ATOM 0 HA THR A1907 8.106 5.226 7.135 1.00 0.74 H new ATOM 0 HB THR A1907 10.101 6.452 8.180 1.00 1.11 H new ATOM 0 HG1 THR A1907 11.652 4.372 6.967 1.00 1.59 H new ATOM 0 HG21 THR A1907 10.779 4.517 9.536 1.00 1.13 H new ATOM 0 HG22 THR A1907 9.020 4.541 9.268 1.00 1.13 H new ATOM 0 HG23 THR A1907 10.046 3.422 8.340 1.00 1.13 H new ATOM 351 N SER A1908 9.748 6.668 4.722 1.00 0.83 N ATOM 352 CA SER A1908 9.742 7.791 3.810 1.00 1.00 C ATOM 353 C SER A1908 8.557 7.726 2.852 1.00 0.94 C ATOM 354 O SER A1908 8.294 8.673 2.103 1.00 1.16 O ATOM 355 CB SER A1908 11.028 7.790 3.018 1.00 1.28 C ATOM 356 OG SER A1908 12.130 7.669 3.884 1.00 1.36 O ATOM 0 H SER A1908 10.380 5.915 4.450 1.00 0.83 H new ATOM 0 HA SER A1908 9.654 8.707 4.394 1.00 1.00 H new ATOM 0 HB2 SER A1908 11.024 6.966 2.305 1.00 1.28 H new ATOM 0 HB3 SER A1908 11.109 8.711 2.440 1.00 1.28 H new ATOM 0 HG SER A1908 11.991 8.236 4.671 1.00 1.36 H new ATOM 362 N LEU A1909 7.838 6.627 2.874 1.00 0.76 N ATOM 363 CA LEU A1909 6.760 6.442 1.952 1.00 0.87 C ATOM 364 C LEU A1909 5.415 6.718 2.618 1.00 0.82 C ATOM 365 O LEU A1909 4.487 7.169 1.950 1.00 1.00 O ATOM 366 CB LEU A1909 6.804 5.045 1.326 1.00 0.89 C ATOM 367 CG LEU A1909 5.871 4.812 0.134 1.00 1.28 C ATOM 368 CD1 LEU A1909 6.185 5.784 -0.997 1.00 2.03 C ATOM 369 CD2 LEU A1909 5.991 3.386 -0.355 1.00 1.67 C ATOM 0 H LEU A1909 7.986 5.853 3.522 1.00 0.76 H new ATOM 0 HA LEU A1909 6.879 7.165 1.145 1.00 0.87 H new ATOM 0 HB2 LEU A1909 7.826 4.844 1.006 1.00 0.89 H new ATOM 0 HB3 LEU A1909 6.563 4.315 2.099 1.00 0.89 H new ATOM 0 HG LEU A1909 4.847 4.987 0.463 1.00 1.28 H new ATOM 0 HD11 LEU A1909 5.510 5.600 -1.833 1.00 2.03 H new ATOM 0 HD12 LEU A1909 6.055 6.807 -0.644 1.00 2.03 H new ATOM 0 HD13 LEU A1909 7.215 5.641 -1.324 1.00 2.03 H new ATOM 0 HD21 LEU A1909 5.322 3.234 -1.202 1.00 1.67 H new ATOM 0 HD22 LEU A1909 7.018 3.193 -0.664 1.00 1.67 H new ATOM 0 HD23 LEU A1909 5.719 2.702 0.449 1.00 1.67 H new ATOM 381 N LYS A1910 5.305 6.465 3.928 1.00 0.69 N ATOM 382 CA LYS A1910 4.053 6.769 4.642 1.00 0.78 C ATOM 383 C LYS A1910 3.869 8.264 4.710 1.00 0.81 C ATOM 384 O LYS A1910 4.849 9.022 4.708 1.00 0.92 O ATOM 385 CB LYS A1910 4.015 6.205 6.081 1.00 0.85 C ATOM 386 CG LYS A1910 5.097 6.760 7.004 1.00 1.10 C ATOM 387 CD LYS A1910 4.764 6.545 8.482 1.00 1.40 C ATOM 388 CE LYS A1910 3.655 7.481 8.956 1.00 2.20 C ATOM 389 NZ LYS A1910 3.335 7.308 10.398 1.00 2.72 N ATOM 0 H LYS A1910 6.044 6.062 4.504 1.00 0.69 H new ATOM 0 HA LYS A1910 3.250 6.289 4.082 1.00 0.78 H new ATOM 0 HB2 LYS A1910 3.039 6.418 6.516 1.00 0.85 H new ATOM 0 HB3 LYS A1910 4.114 5.120 6.036 1.00 0.85 H new ATOM 0 HG2 LYS A1910 6.049 6.280 6.775 1.00 1.10 H new ATOM 0 HG3 LYS A1910 5.223 7.826 6.813 1.00 1.10 H new ATOM 0 HD2 LYS A1910 4.458 5.511 8.639 1.00 1.40 H new ATOM 0 HD3 LYS A1910 5.658 6.708 9.083 1.00 1.40 H new ATOM 0 HE2 LYS A1910 3.955 8.513 8.776 1.00 2.20 H new ATOM 0 HE3 LYS A1910 2.757 7.302 8.365 1.00 2.20 H new ATOM 0 HZ1 LYS A1910 3.134 8.236 10.823 1.00 2.72 H new ATOM 0 HZ2 LYS A1910 2.502 6.694 10.497 1.00 2.72 H new ATOM 0 HZ3 LYS A1910 4.145 6.873 10.884 1.00 2.72 H new ATOM 403 N ARG A1911 2.653 8.710 4.747 1.00 0.82 N ATOM 404 CA ARG A1911 2.441 10.118 4.868 1.00 0.91 C ATOM 405 C ARG A1911 1.749 10.350 6.185 1.00 0.98 C ATOM 406 O ARG A1911 1.443 9.386 6.910 1.00 1.03 O ATOM 407 CB ARG A1911 1.559 10.718 3.749 1.00 0.99 C ATOM 408 CG ARG A1911 1.669 10.144 2.338 1.00 1.05 C ATOM 409 CD ARG A1911 3.072 9.934 1.841 1.00 1.26 C ATOM 410 NE ARG A1911 3.935 11.112 1.848 1.00 1.50 N ATOM 411 CZ ARG A1911 5.271 11.025 1.756 1.00 1.86 C ATOM 412 NH1 ARG A1911 5.839 9.827 1.690 1.00 1.90 N ATOM 413 NH2 ARG A1911 6.030 12.115 1.735 1.00 2.60 N ATOM 0 H ARG A1911 1.811 8.137 4.697 1.00 0.82 H new ATOM 0 HA ARG A1911 3.413 10.606 4.795 1.00 0.91 H new ATOM 0 HB2 ARG A1911 0.519 10.625 4.063 1.00 0.99 H new ATOM 0 HB3 ARG A1911 1.780 11.784 3.690 1.00 0.99 H new ATOM 0 HG2 ARG A1911 1.144 9.189 2.309 1.00 1.05 H new ATOM 0 HG3 ARG A1911 1.153 10.813 1.649 1.00 1.05 H new ATOM 0 HD2 ARG A1911 3.540 9.161 2.450 1.00 1.26 H new ATOM 0 HD3 ARG A1911 3.022 9.550 0.822 1.00 1.26 H new ATOM 0 HE ARG A1911 3.507 12.034 1.926 1.00 1.50 H new ATOM 0 HH11 ARG A1911 5.261 8.987 1.709 1.00 1.90 H new ATOM 0 HH12 ARG A1911 6.853 9.747 1.620 1.00 1.90 H new ATOM 0 HH21 ARG A1911 5.599 13.038 1.789 1.00 2.60 H new ATOM 0 HH22 ARG A1911 7.044 12.029 1.665 1.00 2.60 H new ATOM 427 N GLU A1912 1.464 11.591 6.480 1.00 1.18 N ATOM 428 CA GLU A1912 0.740 11.940 7.687 1.00 1.43 C ATOM 429 C GLU A1912 -0.763 11.735 7.482 1.00 1.27 C ATOM 430 O GLU A1912 -1.564 11.902 8.407 1.00 1.48 O ATOM 431 CB GLU A1912 1.053 13.375 8.105 1.00 1.83 C ATOM 432 CG GLU A1912 2.523 13.605 8.424 1.00 2.47 C ATOM 433 CD GLU A1912 3.013 12.765 9.586 1.00 2.80 C ATOM 434 OE1 GLU A1912 3.459 11.618 9.376 1.00 3.16 O ATOM 435 OE2 GLU A1912 2.970 13.243 10.736 1.00 3.25 O ATOM 0 H GLU A1912 1.723 12.388 5.899 1.00 1.18 H new ATOM 0 HA GLU A1912 1.063 11.282 8.494 1.00 1.43 H new ATOM 0 HB2 GLU A1912 0.752 14.052 7.306 1.00 1.83 H new ATOM 0 HB3 GLU A1912 0.455 13.629 8.980 1.00 1.83 H new ATOM 0 HG2 GLU A1912 3.121 13.379 7.541 1.00 2.47 H new ATOM 0 HG3 GLU A1912 2.679 14.659 8.653 1.00 2.47 H new ATOM 442 N SER A1913 -1.140 11.405 6.258 1.00 1.09 N ATOM 443 CA SER A1913 -2.505 11.052 5.946 1.00 1.05 C ATOM 444 C SER A1913 -2.492 9.812 5.062 1.00 0.93 C ATOM 445 O SER A1913 -3.076 8.786 5.407 1.00 1.08 O ATOM 446 CB SER A1913 -3.237 12.209 5.263 1.00 1.25 C ATOM 447 OG SER A1913 -3.193 13.380 6.072 1.00 1.86 O ATOM 0 H SER A1913 -0.507 11.376 5.459 1.00 1.09 H new ATOM 0 HA SER A1913 -3.046 10.840 6.868 1.00 1.05 H new ATOM 0 HB2 SER A1913 -2.781 12.413 4.294 1.00 1.25 H new ATOM 0 HB3 SER A1913 -4.274 11.930 5.075 1.00 1.25 H new ATOM 0 HG SER A1913 -3.665 14.109 5.618 1.00 1.86 H new ATOM 453 N GLY A1914 -1.811 9.903 3.940 1.00 0.88 N ATOM 454 CA GLY A1914 -1.672 8.766 3.078 1.00 0.88 C ATOM 455 C GLY A1914 -1.581 9.170 1.647 1.00 0.86 C ATOM 456 O GLY A1914 -1.971 10.283 1.299 1.00 1.14 O ATOM 0 H GLY A1914 -1.350 10.751 3.611 1.00 0.88 H new ATOM 0 HA2 GLY A1914 -0.780 8.205 3.356 1.00 0.88 H new ATOM 0 HA3 GLY A1914 -2.523 8.099 3.215 1.00 0.88 H new ATOM 460 N TYR A1915 -1.053 8.302 0.818 1.00 0.70 N ATOM 461 CA TYR A1915 -0.984 8.584 -0.580 1.00 0.82 C ATOM 462 C TYR A1915 -2.302 8.243 -1.242 1.00 0.65 C ATOM 463 O TYR A1915 -2.903 7.170 -1.006 1.00 0.66 O ATOM 464 CB TYR A1915 0.269 8.008 -1.292 1.00 1.06 C ATOM 465 CG TYR A1915 0.645 6.555 -1.015 1.00 1.50 C ATOM 466 CD1 TYR A1915 -0.348 5.597 -0.873 1.00 2.32 C ATOM 467 CD2 TYR A1915 1.959 6.148 -0.872 1.00 1.97 C ATOM 468 CE1 TYR A1915 -0.039 4.287 -0.586 1.00 3.26 C ATOM 469 CE2 TYR A1915 2.272 4.837 -0.597 1.00 2.95 C ATOM 470 CZ TYR A1915 1.385 3.920 -0.576 1.00 3.50 C ATOM 471 OH TYR A1915 1.589 2.619 -0.150 1.00 4.60 O ATOM 0 H TYR A1915 -0.668 7.399 1.094 1.00 0.70 H new ATOM 0 HA TYR A1915 -0.833 9.658 -0.692 1.00 0.82 H new ATOM 0 HB2 TYR A1915 0.122 8.116 -2.367 1.00 1.06 H new ATOM 0 HB3 TYR A1915 1.122 8.631 -1.023 1.00 1.06 H new ATOM 0 HD1 TYR A1915 -1.382 5.884 -0.990 1.00 2.32 H new ATOM 0 HD2 TYR A1915 2.753 6.872 -0.978 1.00 1.97 H new ATOM 0 HE1 TYR A1915 -0.809 3.560 -0.377 1.00 3.26 H new ATOM 0 HE2 TYR A1915 3.300 4.576 -0.393 1.00 2.95 H new ATOM 0 HH TYR A1915 2.372 2.245 -0.605 1.00 4.60 H new ATOM 481 N THR A1916 -2.802 9.173 -1.985 1.00 0.65 N ATOM 482 CA THR A1916 -4.121 9.066 -2.497 1.00 0.60 C ATOM 483 C THR A1916 -4.224 9.434 -3.924 1.00 0.60 C ATOM 484 O THR A1916 -3.555 10.347 -4.427 1.00 0.76 O ATOM 485 CB THR A1916 -5.091 9.872 -1.620 1.00 0.79 C ATOM 486 OG1 THR A1916 -4.603 11.233 -1.458 1.00 1.21 O ATOM 487 CG2 THR A1916 -5.188 9.234 -0.257 1.00 1.26 C ATOM 0 H THR A1916 -2.308 10.024 -2.252 1.00 0.65 H new ATOM 0 HA THR A1916 -4.404 8.014 -2.455 1.00 0.60 H new ATOM 0 HB THR A1916 -6.069 9.885 -2.101 1.00 0.79 H new ATOM 0 HG1 THR A1916 -5.228 11.740 -0.899 1.00 1.21 H new ATOM 0 HG21 THR A1916 -5.876 9.807 0.365 1.00 1.26 H new ATOM 0 HG22 THR A1916 -5.555 8.213 -0.359 1.00 1.26 H new ATOM 0 HG23 THR A1916 -4.203 9.221 0.210 1.00 1.26 H new ATOM 495 N ILE A1917 -5.068 8.715 -4.558 1.00 0.52 N ATOM 496 CA ILE A1917 -5.315 8.800 -5.942 1.00 0.56 C ATOM 497 C ILE A1917 -6.814 8.686 -6.164 1.00 0.57 C ATOM 498 O ILE A1917 -7.567 8.507 -5.214 1.00 0.59 O ATOM 499 CB ILE A1917 -4.588 7.658 -6.676 1.00 0.59 C ATOM 500 CG1 ILE A1917 -4.854 6.304 -5.985 1.00 0.69 C ATOM 501 CG2 ILE A1917 -3.091 7.939 -6.836 1.00 0.74 C ATOM 502 CD1 ILE A1917 -4.193 5.122 -6.647 1.00 0.74 C ATOM 0 H ILE A1917 -5.639 8.008 -4.095 1.00 0.52 H new ATOM 0 HA ILE A1917 -4.948 9.749 -6.332 1.00 0.56 H new ATOM 0 HB ILE A1917 -4.998 7.599 -7.684 1.00 0.59 H new ATOM 0 HG12 ILE A1917 -4.511 6.364 -4.952 1.00 0.69 H new ATOM 0 HG13 ILE A1917 -5.930 6.132 -5.954 1.00 0.69 H new ATOM 0 HG21 ILE A1917 -2.619 7.107 -7.359 1.00 0.74 H new ATOM 0 HG22 ILE A1917 -2.952 8.855 -7.411 1.00 0.74 H new ATOM 0 HG23 ILE A1917 -2.635 8.055 -5.853 1.00 0.74 H new ATOM 0 HD11 ILE A1917 -4.434 4.214 -6.095 1.00 0.74 H new ATOM 0 HD12 ILE A1917 -4.554 5.030 -7.672 1.00 0.74 H new ATOM 0 HD13 ILE A1917 -3.113 5.266 -6.654 1.00 0.74 H new ATOM 514 N THR A1918 -7.255 8.777 -7.373 1.00 0.65 N ATOM 515 CA THR A1918 -8.661 8.680 -7.645 1.00 0.72 C ATOM 516 C THR A1918 -8.957 7.352 -8.341 1.00 0.68 C ATOM 517 O THR A1918 -8.130 6.848 -9.107 1.00 0.76 O ATOM 518 CB THR A1918 -9.123 9.870 -8.502 1.00 0.94 C ATOM 519 OG1 THR A1918 -8.622 11.074 -7.893 1.00 1.07 O ATOM 520 CG2 THR A1918 -10.648 9.944 -8.551 1.00 1.06 C ATOM 0 H THR A1918 -6.667 8.919 -8.194 1.00 0.65 H new ATOM 0 HA THR A1918 -9.214 8.711 -6.706 1.00 0.72 H new ATOM 0 HB THR A1918 -8.748 9.751 -9.519 1.00 0.94 H new ATOM 0 HG1 THR A1918 -8.902 11.850 -8.423 1.00 1.07 H new ATOM 0 HG21 THR A1918 -10.952 10.793 -9.163 1.00 1.06 H new ATOM 0 HG22 THR A1918 -11.043 9.025 -8.984 1.00 1.06 H new ATOM 0 HG23 THR A1918 -11.039 10.066 -7.541 1.00 1.06 H new ATOM 528 N ASP A1919 -10.108 6.791 -8.054 1.00 0.69 N ATOM 529 CA ASP A1919 -10.520 5.522 -8.613 1.00 0.74 C ATOM 530 C ASP A1919 -11.220 5.752 -9.959 1.00 0.99 C ATOM 531 O ASP A1919 -11.578 6.897 -10.286 1.00 1.30 O ATOM 532 CB ASP A1919 -11.416 4.784 -7.594 1.00 0.76 C ATOM 533 CG ASP A1919 -12.049 3.519 -8.110 1.00 0.99 C ATOM 534 OD1 ASP A1919 -11.389 2.486 -8.188 1.00 1.28 O ATOM 535 OD2 ASP A1919 -13.240 3.546 -8.422 1.00 1.62 O ATOM 0 H ASP A1919 -10.792 7.205 -7.421 1.00 0.69 H new ATOM 0 HA ASP A1919 -9.654 4.889 -8.808 1.00 0.74 H new ATOM 0 HB2 ASP A1919 -10.819 4.542 -6.715 1.00 0.76 H new ATOM 0 HB3 ASP A1919 -12.205 5.461 -7.267 1.00 0.76 H new ATOM 540 N SER A1920 -11.400 4.678 -10.699 1.00 1.06 N ATOM 541 CA SER A1920 -11.930 4.628 -12.050 1.00 1.32 C ATOM 542 C SER A1920 -13.137 5.547 -12.329 1.00 1.30 C ATOM 543 O SER A1920 -13.133 6.277 -13.322 1.00 1.75 O ATOM 544 CB SER A1920 -12.298 3.187 -12.340 1.00 1.64 C ATOM 545 OG SER A1920 -11.190 2.336 -12.054 1.00 2.13 O ATOM 0 H SER A1920 -11.163 3.750 -10.349 1.00 1.06 H new ATOM 0 HA SER A1920 -11.149 5.007 -12.710 1.00 1.32 H new ATOM 0 HB2 SER A1920 -13.158 2.894 -11.738 1.00 1.64 H new ATOM 0 HB3 SER A1920 -12.590 3.080 -13.385 1.00 1.64 H new ATOM 0 HG SER A1920 -11.435 1.406 -12.242 1.00 2.13 H new ATOM 551 N HIS A1921 -14.149 5.540 -11.476 1.00 1.22 N ATOM 552 CA HIS A1921 -15.349 6.302 -11.794 1.00 1.77 C ATOM 553 C HIS A1921 -15.747 7.315 -10.727 1.00 1.73 C ATOM 554 O HIS A1921 -15.688 8.514 -10.956 1.00 2.31 O ATOM 555 CB HIS A1921 -16.528 5.357 -12.147 1.00 2.44 C ATOM 556 CG HIS A1921 -17.833 6.060 -12.444 1.00 3.25 C ATOM 557 ND1 HIS A1921 -19.013 5.740 -11.828 1.00 4.13 N ATOM 558 CD2 HIS A1921 -18.126 7.064 -13.295 1.00 3.75 C ATOM 559 CE1 HIS A1921 -19.970 6.514 -12.278 1.00 4.85 C ATOM 560 NE2 HIS A1921 -19.457 7.322 -13.166 1.00 4.66 N ATOM 0 H HIS A1921 -14.169 5.036 -10.590 1.00 1.22 H new ATOM 0 HA HIS A1921 -15.098 6.897 -12.673 1.00 1.77 H new ATOM 0 HB2 HIS A1921 -16.249 4.757 -13.013 1.00 2.44 H new ATOM 0 HB3 HIS A1921 -16.683 4.666 -11.318 1.00 2.44 H new ATOM 0 HD2 HIS A1921 -17.435 7.568 -13.955 1.00 3.75 H new ATOM 0 HE1 HIS A1921 -21.004 6.488 -11.968 1.00 4.85 H new ATOM 0 HE2 HIS A1921 -19.972 8.035 -13.682 1.00 4.66 H new ATOM 569 N ASN A1922 -16.141 6.846 -9.590 1.00 1.59 N ATOM 570 CA ASN A1922 -16.722 7.722 -8.570 1.00 1.80 C ATOM 571 C ASN A1922 -15.855 7.772 -7.350 1.00 1.38 C ATOM 572 O ASN A1922 -15.631 8.830 -6.749 1.00 1.72 O ATOM 573 CB ASN A1922 -18.052 7.139 -8.140 1.00 2.28 C ATOM 574 CG ASN A1922 -18.924 8.141 -7.406 1.00 3.05 C ATOM 575 OD1 ASN A1922 -18.843 8.296 -6.188 1.00 3.29 O ATOM 576 ND2 ASN A1922 -19.779 8.812 -8.139 1.00 3.89 N ATOM 0 H ASN A1922 -16.081 5.863 -9.323 1.00 1.59 H new ATOM 0 HA ASN A1922 -16.825 8.721 -8.993 1.00 1.80 H new ATOM 0 HB2 ASN A1922 -18.585 6.775 -9.018 1.00 2.28 H new ATOM 0 HB3 ASN A1922 -17.875 6.278 -7.496 1.00 2.28 H new ATOM 0 HD21 ASN A1922 -20.405 9.488 -7.702 1.00 3.89 H new ATOM 0 HD22 ASN A1922 -19.818 8.658 -9.146 1.00 3.89 H new ATOM 583 N ARG A1923 -15.377 6.623 -7.006 1.00 0.98 N ATOM 584 CA ARG A1923 -14.638 6.405 -5.783 1.00 0.97 C ATOM 585 C ARG A1923 -13.274 7.087 -5.826 1.00 0.83 C ATOM 586 O ARG A1923 -12.783 7.488 -6.893 1.00 0.99 O ATOM 587 CB ARG A1923 -14.456 4.906 -5.572 1.00 1.46 C ATOM 588 CG ARG A1923 -15.748 4.108 -5.649 1.00 1.89 C ATOM 589 CD ARG A1923 -15.495 2.617 -5.510 1.00 2.66 C ATOM 590 NE ARG A1923 -14.571 2.136 -6.541 1.00 2.93 N ATOM 591 CZ ARG A1923 -14.460 0.890 -6.995 1.00 3.73 C ATOM 592 NH1 ARG A1923 -15.312 -0.057 -6.631 1.00 4.35 N ATOM 593 NH2 ARG A1923 -13.498 0.613 -7.855 1.00 4.26 N ATOM 0 H ARG A1923 -15.486 5.782 -7.573 1.00 0.98 H new ATOM 0 HA ARG A1923 -15.202 6.838 -4.957 1.00 0.97 H new ATOM 0 HB2 ARG A1923 -13.761 4.526 -6.321 1.00 1.46 H new ATOM 0 HB3 ARG A1923 -13.996 4.740 -4.598 1.00 1.46 H new ATOM 0 HG2 ARG A1923 -16.427 4.437 -4.862 1.00 1.89 H new ATOM 0 HG3 ARG A1923 -16.242 4.306 -6.600 1.00 1.89 H new ATOM 0 HD2 ARG A1923 -15.084 2.406 -4.523 1.00 2.66 H new ATOM 0 HD3 ARG A1923 -16.439 2.077 -5.584 1.00 2.66 H new ATOM 0 HE ARG A1923 -13.947 2.829 -6.954 1.00 2.93 H new ATOM 0 HH11 ARG A1923 -16.074 0.162 -5.989 1.00 4.35 H new ATOM 0 HH12 ARG A1923 -15.206 -1.005 -6.993 1.00 4.35 H new ATOM 0 HH21 ARG A1923 -12.858 1.347 -8.159 1.00 4.26 H new ATOM 0 HH22 ARG A1923 -13.394 -0.335 -8.216 1.00 4.26 H new ATOM 607 N LYS A1924 -12.676 7.229 -4.683 1.00 0.68 N ATOM 608 CA LYS A1924 -11.364 7.783 -4.576 1.00 0.67 C ATOM 609 C LYS A1924 -10.527 6.825 -3.731 1.00 0.53 C ATOM 610 O LYS A1924 -10.992 6.345 -2.685 1.00 0.55 O ATOM 611 CB LYS A1924 -11.459 9.194 -3.980 1.00 0.87 C ATOM 612 CG LYS A1924 -10.176 9.992 -4.015 1.00 1.32 C ATOM 613 CD LYS A1924 -10.446 11.454 -3.709 1.00 1.59 C ATOM 614 CE LYS A1924 -9.172 12.279 -3.738 1.00 2.07 C ATOM 615 NZ LYS A1924 -8.295 11.978 -2.603 1.00 2.72 N ATOM 0 H LYS A1924 -13.090 6.961 -3.790 1.00 0.68 H new ATOM 0 HA LYS A1924 -10.880 7.890 -5.547 1.00 0.67 H new ATOM 0 HB2 LYS A1924 -12.228 9.748 -4.518 1.00 0.87 H new ATOM 0 HB3 LYS A1924 -11.790 9.113 -2.945 1.00 0.87 H new ATOM 0 HG2 LYS A1924 -9.470 9.588 -3.289 1.00 1.32 H new ATOM 0 HG3 LYS A1924 -9.711 9.900 -4.997 1.00 1.32 H new ATOM 0 HD2 LYS A1924 -11.154 11.853 -4.435 1.00 1.59 H new ATOM 0 HD3 LYS A1924 -10.913 11.540 -2.728 1.00 1.59 H new ATOM 0 HE2 LYS A1924 -8.638 12.088 -4.669 1.00 2.07 H new ATOM 0 HE3 LYS A1924 -9.426 13.339 -3.728 1.00 2.07 H new ATOM 0 HZ1 LYS A1924 -7.355 12.389 -2.772 1.00 2.72 H new ATOM 0 HZ2 LYS A1924 -8.699 12.384 -1.735 1.00 2.72 H new ATOM 0 HZ3 LYS A1924 -8.208 10.947 -2.495 1.00 2.72 H new ATOM 629 N ILE A1925 -9.339 6.504 -4.200 1.00 0.49 N ATOM 630 CA ILE A1925 -8.509 5.507 -3.554 1.00 0.44 C ATOM 631 C ILE A1925 -7.599 6.165 -2.541 1.00 0.44 C ATOM 632 O ILE A1925 -6.596 6.811 -2.890 1.00 0.51 O ATOM 633 CB ILE A1925 -7.673 4.678 -4.573 1.00 0.51 C ATOM 634 CG1 ILE A1925 -8.596 4.021 -5.607 1.00 0.53 C ATOM 635 CG2 ILE A1925 -6.857 3.606 -3.847 1.00 0.56 C ATOM 636 CD1 ILE A1925 -7.864 3.227 -6.693 1.00 0.64 C ATOM 0 H ILE A1925 -8.924 6.922 -5.032 1.00 0.49 H new ATOM 0 HA ILE A1925 -9.176 4.810 -3.046 1.00 0.44 H new ATOM 0 HB ILE A1925 -6.988 5.352 -5.087 1.00 0.51 H new ATOM 0 HG12 ILE A1925 -9.286 3.355 -5.089 1.00 0.53 H new ATOM 0 HG13 ILE A1925 -9.198 4.795 -6.083 1.00 0.53 H new ATOM 0 HG21 ILE A1925 -6.278 3.035 -4.573 1.00 0.56 H new ATOM 0 HG22 ILE A1925 -6.180 4.082 -3.137 1.00 0.56 H new ATOM 0 HG23 ILE A1925 -7.530 2.936 -3.313 1.00 0.56 H new ATOM 0 HD11 ILE A1925 -8.591 2.796 -7.381 1.00 0.64 H new ATOM 0 HD12 ILE A1925 -7.195 3.891 -7.240 1.00 0.64 H new ATOM 0 HD13 ILE A1925 -7.284 2.428 -6.231 1.00 0.64 H new ATOM 648 N GLU A1926 -7.968 6.019 -1.313 1.00 0.43 N ATOM 649 CA GLU A1926 -7.254 6.604 -0.220 1.00 0.48 C ATOM 650 C GLU A1926 -6.483 5.508 0.506 1.00 0.46 C ATOM 651 O GLU A1926 -7.097 4.581 1.035 1.00 0.56 O ATOM 652 CB GLU A1926 -8.270 7.219 0.733 1.00 0.67 C ATOM 653 CG GLU A1926 -9.237 8.198 0.088 1.00 1.40 C ATOM 654 CD GLU A1926 -8.585 9.468 -0.342 1.00 1.65 C ATOM 655 OE1 GLU A1926 -8.408 10.367 0.513 1.00 1.95 O ATOM 656 OE2 GLU A1926 -8.244 9.618 -1.517 1.00 2.28 O ATOM 0 H GLU A1926 -8.788 5.481 -1.032 1.00 0.43 H new ATOM 0 HA GLU A1926 -6.560 7.365 -0.576 1.00 0.48 H new ATOM 0 HB2 GLU A1926 -8.843 6.417 1.198 1.00 0.67 H new ATOM 0 HB3 GLU A1926 -7.734 7.732 1.532 1.00 0.67 H new ATOM 0 HG2 GLU A1926 -9.701 7.724 -0.777 1.00 1.40 H new ATOM 0 HG3 GLU A1926 -10.036 8.428 0.793 1.00 1.40 H new ATOM 663 N LEU A1927 -5.160 5.567 0.526 1.00 0.44 N ATOM 664 CA LEU A1927 -4.423 4.526 1.240 1.00 0.51 C ATOM 665 C LEU A1927 -3.168 5.081 1.882 1.00 0.46 C ATOM 666 O LEU A1927 -2.687 6.124 1.499 1.00 0.61 O ATOM 667 CB LEU A1927 -4.107 3.284 0.339 1.00 0.68 C ATOM 668 CG LEU A1927 -3.190 3.477 -0.891 1.00 0.87 C ATOM 669 CD1 LEU A1927 -2.805 2.132 -1.451 1.00 1.54 C ATOM 670 CD2 LEU A1927 -3.862 4.289 -1.989 1.00 1.48 C ATOM 0 H LEU A1927 -4.592 6.287 0.080 1.00 0.44 H new ATOM 0 HA LEU A1927 -5.077 4.171 2.036 1.00 0.51 H new ATOM 0 HB2 LEU A1927 -3.655 2.521 0.973 1.00 0.68 H new ATOM 0 HB3 LEU A1927 -5.056 2.882 -0.015 1.00 0.68 H new ATOM 0 HG LEU A1927 -2.309 4.024 -0.555 1.00 0.87 H new ATOM 0 HD11 LEU A1927 -2.159 2.270 -2.318 1.00 1.54 H new ATOM 0 HD12 LEU A1927 -2.274 1.560 -0.690 1.00 1.54 H new ATOM 0 HD13 LEU A1927 -3.703 1.592 -1.751 1.00 1.54 H new ATOM 0 HD21 LEU A1927 -3.179 4.397 -2.831 1.00 1.48 H new ATOM 0 HD22 LEU A1927 -4.766 3.777 -2.319 1.00 1.48 H new ATOM 0 HD23 LEU A1927 -4.123 5.275 -1.604 1.00 1.48 H new ATOM 682 N ASN A1928 -2.671 4.425 2.882 1.00 0.51 N ATOM 683 CA ASN A1928 -1.438 4.852 3.508 1.00 0.51 C ATOM 684 C ASN A1928 -0.609 3.631 3.790 1.00 0.64 C ATOM 685 O ASN A1928 -1.142 2.591 4.186 1.00 0.81 O ATOM 686 CB ASN A1928 -1.705 5.685 4.777 1.00 0.55 C ATOM 687 CG ASN A1928 -0.458 6.385 5.323 1.00 0.54 C ATOM 688 OD1 ASN A1928 0.503 6.663 4.580 1.00 0.88 O ATOM 689 ND2 ASN A1928 -0.484 6.746 6.582 1.00 0.80 N ATOM 0 H ASN A1928 -3.092 3.590 3.290 1.00 0.51 H new ATOM 0 HA ASN A1928 -0.888 5.511 2.836 1.00 0.51 H new ATOM 0 HB2 ASN A1928 -2.465 6.434 4.556 1.00 0.55 H new ATOM 0 HB3 ASN A1928 -2.114 5.034 5.550 1.00 0.55 H new ATOM 0 HD21 ASN A1928 0.296 7.269 6.979 1.00 0.80 H new ATOM 0 HD22 ASN A1928 -1.285 6.504 7.166 1.00 0.80 H new ATOM 696 N VAL A1929 0.671 3.720 3.541 1.00 0.65 N ATOM 697 CA VAL A1929 1.528 2.558 3.641 1.00 0.82 C ATOM 698 C VAL A1929 2.092 2.329 5.048 1.00 0.87 C ATOM 699 O VAL A1929 2.801 3.180 5.604 1.00 1.69 O ATOM 700 CB VAL A1929 2.648 2.566 2.575 1.00 0.99 C ATOM 701 CG1 VAL A1929 3.527 3.787 2.686 1.00 1.51 C ATOM 702 CG2 VAL A1929 3.468 1.304 2.636 1.00 1.73 C ATOM 0 H VAL A1929 1.146 4.580 3.268 1.00 0.65 H new ATOM 0 HA VAL A1929 0.881 1.706 3.435 1.00 0.82 H new ATOM 0 HB VAL A1929 2.160 2.607 1.601 1.00 0.99 H new ATOM 0 HG11 VAL A1929 4.299 3.750 1.918 1.00 1.51 H new ATOM 0 HG12 VAL A1929 2.923 4.684 2.550 1.00 1.51 H new ATOM 0 HG13 VAL A1929 3.995 3.810 3.670 1.00 1.51 H new ATOM 0 HG21 VAL A1929 4.247 1.339 1.875 1.00 1.73 H new ATOM 0 HG22 VAL A1929 3.927 1.215 3.621 1.00 1.73 H new ATOM 0 HG23 VAL A1929 2.824 0.443 2.457 1.00 1.73 H new ATOM 712 N CYS A1930 1.702 1.184 5.615 1.00 0.74 N ATOM 713 CA CYS A1930 2.121 0.669 6.916 1.00 0.83 C ATOM 714 C CYS A1930 1.849 1.639 8.031 1.00 0.74 C ATOM 715 O CYS A1930 2.398 1.537 9.128 1.00 0.97 O ATOM 716 CB CYS A1930 3.561 0.255 6.881 1.00 1.01 C ATOM 717 SG CYS A1930 3.913 -1.085 5.711 1.00 1.20 S ATOM 0 H CYS A1930 1.047 0.557 5.148 1.00 0.74 H new ATOM 0 HA CYS A1930 1.518 -0.214 7.127 1.00 0.83 H new ATOM 0 HB2 CYS A1930 4.171 1.120 6.622 1.00 1.01 H new ATOM 0 HB3 CYS A1930 3.863 -0.060 7.880 1.00 1.01 H new ATOM 722 N ALA A1931 0.951 2.513 7.773 1.00 0.63 N ATOM 723 CA ALA A1931 0.585 3.511 8.667 1.00 0.65 C ATOM 724 C ALA A1931 -0.859 3.737 8.483 1.00 0.75 C ATOM 725 O ALA A1931 -1.372 3.540 7.377 1.00 1.31 O ATOM 726 CB ALA A1931 1.367 4.771 8.390 1.00 0.62 C ATOM 0 H ALA A1931 0.437 2.542 6.892 1.00 0.63 H new ATOM 0 HA ALA A1931 0.799 3.219 9.695 1.00 0.65 H new ATOM 0 HB1 ALA A1931 1.071 5.546 9.097 1.00 0.62 H new ATOM 0 HB2 ALA A1931 2.433 4.569 8.498 1.00 0.62 H new ATOM 0 HB3 ALA A1931 1.163 5.110 7.374 1.00 0.62 H new ATOM 732 N GLU A1932 -1.499 4.045 9.558 1.00 0.53 N ATOM 733 CA GLU A1932 -2.901 4.330 9.628 1.00 0.58 C ATOM 734 C GLU A1932 -3.286 5.343 8.549 1.00 0.48 C ATOM 735 O GLU A1932 -2.649 6.411 8.419 1.00 0.49 O ATOM 736 CB GLU A1932 -3.251 4.862 11.037 1.00 0.84 C ATOM 737 CG GLU A1932 -2.750 3.985 12.218 1.00 0.82 C ATOM 738 CD GLU A1932 -1.264 4.180 12.586 1.00 1.32 C ATOM 739 OE1 GLU A1932 -0.396 3.617 11.894 1.00 2.07 O ATOM 740 OE2 GLU A1932 -0.938 4.924 13.561 1.00 1.72 O ATOM 0 H GLU A1932 -1.037 4.110 10.465 1.00 0.53 H new ATOM 0 HA GLU A1932 -3.468 3.416 9.451 1.00 0.58 H new ATOM 0 HB2 GLU A1932 -2.832 5.862 11.145 1.00 0.84 H new ATOM 0 HB3 GLU A1932 -4.334 4.960 11.112 1.00 0.84 H new ATOM 0 HG2 GLU A1932 -3.358 4.202 13.096 1.00 0.82 H new ATOM 0 HG3 GLU A1932 -2.913 2.937 11.968 1.00 0.82 H new ATOM 747 N ALA A1933 -4.261 4.992 7.747 1.00 0.51 N ATOM 748 CA ALA A1933 -4.673 5.834 6.667 1.00 0.57 C ATOM 749 C ALA A1933 -5.614 6.885 7.165 1.00 0.59 C ATOM 750 O ALA A1933 -6.764 6.615 7.451 1.00 0.77 O ATOM 751 CB ALA A1933 -5.297 5.028 5.545 1.00 0.74 C ATOM 0 H ALA A1933 -4.784 4.120 7.829 1.00 0.51 H new ATOM 0 HA ALA A1933 -3.790 6.325 6.259 1.00 0.57 H new ATOM 0 HB1 ALA A1933 -5.599 5.698 4.740 1.00 0.74 H new ATOM 0 HB2 ALA A1933 -4.570 4.309 5.166 1.00 0.74 H new ATOM 0 HB3 ALA A1933 -6.171 4.496 5.921 1.00 0.74 H new ATOM 757 N LYS A1934 -5.109 8.078 7.272 1.00 0.62 N ATOM 758 CA LYS A1934 -5.876 9.197 7.757 1.00 0.76 C ATOM 759 C LYS A1934 -6.237 10.080 6.562 1.00 0.88 C ATOM 760 O LYS A1934 -6.498 11.280 6.681 1.00 1.28 O ATOM 761 CB LYS A1934 -5.041 9.952 8.806 1.00 0.98 C ATOM 762 CG LYS A1934 -5.813 10.966 9.644 1.00 1.65 C ATOM 763 CD LYS A1934 -7.033 10.323 10.286 1.00 2.13 C ATOM 764 CE LYS A1934 -7.645 11.206 11.353 1.00 2.78 C ATOM 765 NZ LYS A1934 -6.731 11.375 12.500 1.00 3.10 N ATOM 0 H LYS A1934 -4.147 8.308 7.025 1.00 0.62 H new ATOM 0 HA LYS A1934 -6.800 8.876 8.238 1.00 0.76 H new ATOM 0 HB2 LYS A1934 -4.584 9.224 9.476 1.00 0.98 H new ATOM 0 HB3 LYS A1934 -4.228 10.470 8.296 1.00 0.98 H new ATOM 0 HG2 LYS A1934 -5.163 11.375 10.418 1.00 1.65 H new ATOM 0 HG3 LYS A1934 -6.125 11.801 9.016 1.00 1.65 H new ATOM 0 HD2 LYS A1934 -7.778 10.113 9.519 1.00 2.13 H new ATOM 0 HD3 LYS A1934 -6.750 9.367 10.726 1.00 2.13 H new ATOM 0 HE2 LYS A1934 -7.883 12.181 10.928 1.00 2.78 H new ATOM 0 HE3 LYS A1934 -8.584 10.770 11.695 1.00 2.78 H new ATOM 0 HZ1 LYS A1934 -7.273 11.680 13.334 1.00 3.10 H new ATOM 0 HZ2 LYS A1934 -6.260 10.471 12.705 1.00 3.10 H new ATOM 0 HZ3 LYS A1934 -6.015 12.094 12.270 1.00 3.10 H new ATOM 779 N SER A1935 -6.266 9.454 5.417 1.00 0.93 N ATOM 780 CA SER A1935 -6.578 10.076 4.172 1.00 1.23 C ATOM 781 C SER A1935 -8.067 10.476 4.131 1.00 1.17 C ATOM 782 O SER A1935 -8.403 11.673 4.162 1.00 2.00 O ATOM 783 CB SER A1935 -6.213 9.082 3.090 1.00 1.67 C ATOM 784 OG SER A1935 -6.625 7.776 3.496 1.00 2.17 O ATOM 0 H SER A1935 -6.064 8.458 5.329 1.00 0.93 H new ATOM 0 HA SER A1935 -6.018 11.000 4.026 1.00 1.23 H new ATOM 0 HB2 SER A1935 -6.696 9.354 2.151 1.00 1.67 H new ATOM 0 HB3 SER A1935 -5.138 9.098 2.912 1.00 1.67 H new ATOM 0 HG SER A1935 -6.242 7.109 2.889 1.00 2.17 H new ATOM 790 N SER A1936 -8.930 9.486 4.077 1.00 0.99 N ATOM 791 CA SER A1936 -10.369 9.686 4.159 1.00 1.20 C ATOM 792 C SER A1936 -10.979 8.691 5.131 1.00 0.95 C ATOM 793 O SER A1936 -12.194 8.544 5.239 1.00 1.08 O ATOM 794 CB SER A1936 -11.023 9.604 2.789 1.00 1.80 C ATOM 795 OG SER A1936 -10.577 10.678 1.966 1.00 2.28 O ATOM 0 H SER A1936 -8.655 8.509 3.974 1.00 0.99 H new ATOM 0 HA SER A1936 -10.556 10.691 4.536 1.00 1.20 H new ATOM 0 HB2 SER A1936 -10.781 8.651 2.319 1.00 1.80 H new ATOM 0 HB3 SER A1936 -12.107 9.642 2.893 1.00 1.80 H new ATOM 0 HG SER A1936 -9.639 10.535 1.722 1.00 2.28 H new ATOM 801 N CYS A1937 -10.127 8.044 5.849 1.00 0.87 N ATOM 802 CA CYS A1937 -10.505 7.131 6.867 1.00 0.93 C ATOM 803 C CYS A1937 -9.698 7.493 8.117 1.00 1.22 C ATOM 804 O CYS A1937 -8.962 8.495 8.078 1.00 1.98 O ATOM 805 CB CYS A1937 -10.311 5.682 6.390 1.00 1.06 C ATOM 806 SG CYS A1937 -8.766 5.375 5.469 1.00 1.44 S ATOM 0 H CYS A1937 -9.118 8.140 5.739 1.00 0.87 H new ATOM 0 HA CYS A1937 -11.565 7.203 7.111 1.00 0.93 H new ATOM 0 HB2 CYS A1937 -10.336 5.023 7.258 1.00 1.06 H new ATOM 0 HB3 CYS A1937 -11.155 5.408 5.757 1.00 1.06 H new ATOM 811 N ALA A1938 -9.837 6.778 9.218 1.00 0.97 N ATOM 812 CA ALA A1938 -9.117 7.184 10.421 1.00 1.24 C ATOM 813 C ALA A1938 -7.844 6.369 10.733 1.00 1.13 C ATOM 814 O ALA A1938 -6.748 6.748 10.345 1.00 1.32 O ATOM 815 CB ALA A1938 -10.042 7.252 11.627 1.00 1.48 C ATOM 0 H ALA A1938 -10.417 5.944 9.310 1.00 0.97 H new ATOM 0 HA ALA A1938 -8.753 8.187 10.196 1.00 1.24 H new ATOM 0 HB1 ALA A1938 -9.473 7.557 12.505 1.00 1.48 H new ATOM 0 HB2 ALA A1938 -10.834 7.977 11.438 1.00 1.48 H new ATOM 0 HB3 ALA A1938 -10.483 6.271 11.803 1.00 1.48 H new ATOM 821 N ASN A1939 -7.982 5.305 11.501 1.00 0.94 N ATOM 822 CA ASN A1939 -6.837 4.527 11.905 1.00 0.94 C ATOM 823 C ASN A1939 -6.905 3.047 11.530 1.00 0.69 C ATOM 824 O ASN A1939 -5.935 2.485 11.051 1.00 0.89 O ATOM 825 CB ASN A1939 -6.513 4.709 13.390 1.00 1.19 C ATOM 826 CG ASN A1939 -7.587 4.179 14.322 1.00 1.51 C ATOM 827 OD1 ASN A1939 -8.780 4.159 13.984 1.00 2.13 O ATOM 828 ND2 ASN A1939 -7.185 3.752 15.478 1.00 2.10 N ATOM 0 H ASN A1939 -8.876 4.964 11.855 1.00 0.94 H new ATOM 0 HA ASN A1939 -6.012 4.935 11.320 1.00 0.94 H new ATOM 0 HB2 ASN A1939 -5.572 4.205 13.611 1.00 1.19 H new ATOM 0 HB3 ASN A1939 -6.361 5.769 13.592 1.00 1.19 H new ATOM 0 HD21 ASN A1939 -7.860 3.382 16.148 1.00 2.10 H new ATOM 0 HD22 ASN A1939 -6.194 3.786 15.718 1.00 2.10 H new ATOM 835 N GLY A1940 -8.067 2.425 11.761 1.00 0.57 N ATOM 836 CA GLY A1940 -8.223 0.982 11.581 1.00 0.70 C ATOM 837 C GLY A1940 -8.170 0.513 10.141 1.00 0.61 C ATOM 838 O GLY A1940 -8.095 -0.702 9.872 1.00 0.79 O ATOM 0 H GLY A1940 -8.913 2.902 12.073 1.00 0.57 H new ATOM 0 HA2 GLY A1940 -7.440 0.473 12.143 1.00 0.70 H new ATOM 0 HA3 GLY A1940 -9.176 0.677 12.013 1.00 0.70 H new ATOM 842 N ALA A1941 -8.209 1.441 9.233 1.00 0.47 N ATOM 843 CA ALA A1941 -8.174 1.148 7.830 1.00 0.46 C ATOM 844 C ALA A1941 -6.861 1.603 7.254 1.00 0.42 C ATOM 845 O ALA A1941 -6.306 2.614 7.692 1.00 0.62 O ATOM 846 CB ALA A1941 -9.316 1.847 7.124 1.00 0.52 C ATOM 0 H ALA A1941 -8.267 2.437 9.448 1.00 0.47 H new ATOM 0 HA ALA A1941 -8.278 0.073 7.686 1.00 0.46 H new ATOM 0 HB1 ALA A1941 -9.280 1.618 6.059 1.00 0.52 H new ATOM 0 HB2 ALA A1941 -10.264 1.503 7.537 1.00 0.52 H new ATOM 0 HB3 ALA A1941 -9.227 2.924 7.267 1.00 0.52 H new ATOM 852 N ALA A1942 -6.346 0.856 6.313 1.00 0.36 N ATOM 853 CA ALA A1942 -5.130 1.255 5.642 1.00 0.38 C ATOM 854 C ALA A1942 -5.427 1.597 4.201 1.00 0.40 C ATOM 855 O ALA A1942 -4.710 2.374 3.570 1.00 0.49 O ATOM 856 CB ALA A1942 -4.092 0.182 5.734 1.00 0.44 C ATOM 0 H ALA A1942 -6.744 -0.027 5.993 1.00 0.36 H new ATOM 0 HA ALA A1942 -4.732 2.141 6.137 1.00 0.38 H new ATOM 0 HB1 ALA A1942 -3.187 0.507 5.221 1.00 0.44 H new ATOM 0 HB2 ALA A1942 -3.865 -0.016 6.782 1.00 0.44 H new ATOM 0 HB3 ALA A1942 -4.467 -0.728 5.266 1.00 0.44 H new ATOM 862 N VAL A1943 -6.471 0.987 3.669 1.00 0.41 N ATOM 863 CA VAL A1943 -6.940 1.302 2.343 1.00 0.42 C ATOM 864 C VAL A1943 -8.414 1.577 2.437 1.00 0.39 C ATOM 865 O VAL A1943 -9.208 0.687 2.815 1.00 0.43 O ATOM 866 CB VAL A1943 -6.740 0.147 1.318 1.00 0.52 C ATOM 867 CG1 VAL A1943 -7.101 0.605 -0.090 1.00 0.73 C ATOM 868 CG2 VAL A1943 -5.337 -0.383 1.344 1.00 0.75 C ATOM 0 H VAL A1943 -7.011 0.264 4.145 1.00 0.41 H new ATOM 0 HA VAL A1943 -6.362 2.155 1.987 1.00 0.42 H new ATOM 0 HB VAL A1943 -7.410 -0.662 1.610 1.00 0.52 H new ATOM 0 HG11 VAL A1943 -6.954 -0.218 -0.789 1.00 0.73 H new ATOM 0 HG12 VAL A1943 -8.144 0.919 -0.114 1.00 0.73 H new ATOM 0 HG13 VAL A1943 -6.463 1.442 -0.375 1.00 0.73 H new ATOM 0 HG21 VAL A1943 -5.238 -1.187 0.615 1.00 0.75 H new ATOM 0 HG22 VAL A1943 -4.641 0.418 1.097 1.00 0.75 H new ATOM 0 HG23 VAL A1943 -5.111 -0.766 2.339 1.00 0.75 H new ATOM 878 N CYS A1944 -8.788 2.755 2.120 1.00 0.41 N ATOM 879 CA CYS A1944 -10.144 3.129 2.135 1.00 0.49 C ATOM 880 C CYS A1944 -10.559 3.677 0.793 1.00 0.47 C ATOM 881 O CYS A1944 -10.171 4.773 0.385 1.00 0.54 O ATOM 882 CB CYS A1944 -10.455 4.080 3.305 1.00 0.70 C ATOM 883 SG CYS A1944 -9.308 5.478 3.511 1.00 1.15 S ATOM 0 H CYS A1944 -8.149 3.499 1.838 1.00 0.41 H new ATOM 0 HA CYS A1944 -10.749 2.240 2.310 1.00 0.49 H new ATOM 0 HB2 CYS A1944 -11.461 4.476 3.169 1.00 0.70 H new ATOM 0 HB3 CYS A1944 -10.462 3.501 4.228 1.00 0.70 H new ATOM 888 N ILE A1945 -11.296 2.880 0.077 1.00 0.46 N ATOM 889 CA ILE A1945 -11.819 3.282 -1.180 1.00 0.49 C ATOM 890 C ILE A1945 -13.025 4.106 -0.832 1.00 0.49 C ATOM 891 O ILE A1945 -14.070 3.577 -0.476 1.00 0.54 O ATOM 892 CB ILE A1945 -12.238 2.064 -2.049 1.00 0.56 C ATOM 893 CG1 ILE A1945 -11.100 1.024 -2.144 1.00 0.54 C ATOM 894 CG2 ILE A1945 -12.647 2.520 -3.439 1.00 0.68 C ATOM 895 CD1 ILE A1945 -9.821 1.537 -2.775 1.00 0.56 C ATOM 0 H ILE A1945 -11.548 1.932 0.356 1.00 0.46 H new ATOM 0 HA ILE A1945 -11.079 3.827 -1.766 1.00 0.49 H new ATOM 0 HB ILE A1945 -13.092 1.588 -1.566 1.00 0.56 H new ATOM 0 HG12 ILE A1945 -10.874 0.661 -1.141 1.00 0.54 H new ATOM 0 HG13 ILE A1945 -11.455 0.169 -2.720 1.00 0.54 H new ATOM 0 HG21 ILE A1945 -12.938 1.655 -4.035 1.00 0.68 H new ATOM 0 HG22 ILE A1945 -13.489 3.208 -3.363 1.00 0.68 H new ATOM 0 HG23 ILE A1945 -11.808 3.025 -3.918 1.00 0.68 H new ATOM 0 HD11 ILE A1945 -9.081 0.737 -2.798 1.00 0.56 H new ATOM 0 HD12 ILE A1945 -10.026 1.872 -3.792 1.00 0.56 H new ATOM 0 HD13 ILE A1945 -9.435 2.371 -2.189 1.00 0.56 H new ATOM 907 N THR A1946 -12.860 5.369 -0.827 1.00 0.48 N ATOM 908 CA THR A1946 -13.886 6.216 -0.359 1.00 0.51 C ATOM 909 C THR A1946 -14.810 6.574 -1.523 1.00 0.53 C ATOM 910 O THR A1946 -14.461 7.357 -2.410 1.00 0.61 O ATOM 911 CB THR A1946 -13.272 7.451 0.348 1.00 0.61 C ATOM 912 OG1 THR A1946 -12.171 6.989 1.169 1.00 0.91 O ATOM 913 CG2 THR A1946 -14.284 8.098 1.291 1.00 0.79 C ATOM 0 H THR A1946 -12.016 5.846 -1.145 1.00 0.48 H new ATOM 0 HA THR A1946 -14.496 5.710 0.390 1.00 0.51 H new ATOM 0 HB THR A1946 -12.961 8.171 -0.409 1.00 0.61 H new ATOM 0 HG1 THR A1946 -12.412 7.072 2.115 1.00 0.91 H new ATOM 0 HG21 THR A1946 -13.829 8.962 1.775 1.00 0.79 H new ATOM 0 HG22 THR A1946 -15.158 8.418 0.723 1.00 0.79 H new ATOM 0 HG23 THR A1946 -14.588 7.376 2.049 1.00 0.79 H new ATOM 921 N ASP A1947 -15.925 5.875 -1.570 1.00 0.58 N ATOM 922 CA ASP A1947 -16.956 6.076 -2.570 1.00 0.74 C ATOM 923 C ASP A1947 -17.841 7.174 -2.086 1.00 0.78 C ATOM 924 O ASP A1947 -18.704 6.967 -1.226 1.00 0.77 O ATOM 925 CB ASP A1947 -17.762 4.784 -2.800 1.00 0.91 C ATOM 926 CG ASP A1947 -19.008 4.969 -3.663 1.00 1.21 C ATOM 927 OD1 ASP A1947 -18.912 5.027 -4.894 1.00 1.94 O ATOM 928 OD2 ASP A1947 -20.121 4.997 -3.105 1.00 1.24 O ATOM 0 H ASP A1947 -16.145 5.137 -0.902 1.00 0.58 H new ATOM 0 HA ASP A1947 -16.507 6.343 -3.527 1.00 0.74 H new ATOM 0 HB2 ASP A1947 -17.114 4.044 -3.270 1.00 0.91 H new ATOM 0 HB3 ASP A1947 -18.060 4.378 -1.833 1.00 0.91 H new ATOM 933 N GLY A1948 -17.571 8.351 -2.560 1.00 0.91 N ATOM 934 CA GLY A1948 -18.267 9.496 -2.083 1.00 1.03 C ATOM 935 C GLY A1948 -17.812 9.802 -0.682 1.00 1.03 C ATOM 936 O GLY A1948 -16.608 9.836 -0.425 1.00 1.07 O ATOM 0 H GLY A1948 -16.872 8.540 -3.278 1.00 0.91 H new ATOM 0 HA2 GLY A1948 -18.078 10.349 -2.734 1.00 1.03 H new ATOM 0 HA3 GLY A1948 -19.342 9.316 -2.098 1.00 1.03 H new ATOM 940 N PRO A1949 -18.728 9.994 0.255 1.00 1.06 N ATOM 941 CA PRO A1949 -18.386 10.208 1.647 1.00 1.15 C ATOM 942 C PRO A1949 -18.403 8.882 2.430 1.00 1.00 C ATOM 943 O PRO A1949 -18.259 8.856 3.651 1.00 1.12 O ATOM 944 CB PRO A1949 -19.514 11.134 2.137 1.00 1.37 C ATOM 945 CG PRO A1949 -20.591 11.093 1.072 1.00 1.27 C ATOM 946 CD PRO A1949 -20.174 10.071 0.051 1.00 1.09 C ATOM 0 HA PRO A1949 -17.387 10.623 1.783 1.00 1.15 H new ATOM 0 HB2 PRO A1949 -19.904 10.797 3.097 1.00 1.37 H new ATOM 0 HB3 PRO A1949 -19.148 12.151 2.281 1.00 1.37 H new ATOM 0 HG2 PRO A1949 -21.554 10.828 1.509 1.00 1.27 H new ATOM 0 HG3 PRO A1949 -20.710 12.072 0.609 1.00 1.27 H new ATOM 0 HD2 PRO A1949 -20.659 9.109 0.217 1.00 1.09 H new ATOM 0 HD3 PRO A1949 -20.425 10.384 -0.963 1.00 1.09 H new ATOM 954 N LYS A1950 -18.561 7.793 1.705 1.00 0.86 N ATOM 955 CA LYS A1950 -18.687 6.475 2.275 1.00 0.83 C ATOM 956 C LYS A1950 -17.381 5.688 2.142 1.00 0.66 C ATOM 957 O LYS A1950 -16.887 5.438 1.041 1.00 0.71 O ATOM 958 CB LYS A1950 -19.869 5.773 1.602 1.00 0.95 C ATOM 959 CG LYS A1950 -20.061 4.297 1.919 1.00 1.31 C ATOM 960 CD LYS A1950 -21.383 3.793 1.337 1.00 1.91 C ATOM 961 CE LYS A1950 -21.531 4.136 -0.147 1.00 2.18 C ATOM 962 NZ LYS A1950 -20.575 3.423 -1.014 1.00 2.52 N ATOM 0 H LYS A1950 -18.606 7.804 0.686 1.00 0.86 H new ATOM 0 HA LYS A1950 -18.883 6.543 3.345 1.00 0.83 H new ATOM 0 HB2 LYS A1950 -20.781 6.302 1.880 1.00 0.95 H new ATOM 0 HB3 LYS A1950 -19.756 5.877 0.523 1.00 0.95 H new ATOM 0 HG2 LYS A1950 -19.232 3.720 1.509 1.00 1.31 H new ATOM 0 HG3 LYS A1950 -20.051 4.146 2.998 1.00 1.31 H new ATOM 0 HD2 LYS A1950 -21.446 2.713 1.466 1.00 1.91 H new ATOM 0 HD3 LYS A1950 -22.213 4.230 1.893 1.00 1.91 H new ATOM 0 HE2 LYS A1950 -22.546 3.899 -0.467 1.00 2.18 H new ATOM 0 HE3 LYS A1950 -21.398 5.210 -0.279 1.00 2.18 H new ATOM 0 HZ1 LYS A1950 -20.625 3.810 -1.978 1.00 2.52 H new ATOM 0 HZ2 LYS A1950 -19.612 3.544 -0.642 1.00 2.52 H new ATOM 0 HZ3 LYS A1950 -20.813 2.411 -1.035 1.00 2.52 H new ATOM 976 N THR A1951 -16.840 5.301 3.265 1.00 0.68 N ATOM 977 CA THR A1951 -15.577 4.608 3.318 1.00 0.60 C ATOM 978 C THR A1951 -15.754 3.101 3.054 1.00 0.57 C ATOM 979 O THR A1951 -16.517 2.426 3.758 1.00 0.72 O ATOM 980 CB THR A1951 -14.915 4.813 4.711 1.00 0.73 C ATOM 981 OG1 THR A1951 -14.680 6.207 4.947 1.00 1.05 O ATOM 982 CG2 THR A1951 -13.597 4.072 4.816 1.00 1.07 C ATOM 0 H THR A1951 -17.266 5.458 4.179 1.00 0.68 H new ATOM 0 HA THR A1951 -14.936 5.023 2.540 1.00 0.60 H new ATOM 0 HB THR A1951 -15.602 4.415 5.458 1.00 0.73 H new ATOM 0 HG1 THR A1951 -14.265 6.324 5.827 1.00 1.05 H new ATOM 0 HG21 THR A1951 -13.164 4.238 5.802 1.00 1.07 H new ATOM 0 HG22 THR A1951 -13.767 3.005 4.669 1.00 1.07 H new ATOM 0 HG23 THR A1951 -12.912 4.439 4.052 1.00 1.07 H new ATOM 990 N LEU A1952 -15.095 2.600 2.020 1.00 0.52 N ATOM 991 CA LEU A1952 -15.045 1.176 1.752 1.00 0.52 C ATOM 992 C LEU A1952 -13.661 0.665 2.120 1.00 0.47 C ATOM 993 O LEU A1952 -12.668 0.976 1.455 1.00 0.52 O ATOM 994 CB LEU A1952 -15.353 0.866 0.276 1.00 0.57 C ATOM 995 CG LEU A1952 -15.274 -0.608 -0.148 1.00 0.63 C ATOM 996 CD1 LEU A1952 -16.279 -1.453 0.621 1.00 1.14 C ATOM 997 CD2 LEU A1952 -15.491 -0.743 -1.649 1.00 1.15 C ATOM 0 H LEU A1952 -14.582 3.169 1.347 1.00 0.52 H new ATOM 0 HA LEU A1952 -15.806 0.675 2.351 1.00 0.52 H new ATOM 0 HB2 LEU A1952 -16.355 1.231 0.053 1.00 0.57 H new ATOM 0 HB3 LEU A1952 -14.661 1.436 -0.344 1.00 0.57 H new ATOM 0 HG LEU A1952 -14.276 -0.977 0.091 1.00 0.63 H new ATOM 0 HD11 LEU A1952 -16.201 -2.492 0.301 1.00 1.14 H new ATOM 0 HD12 LEU A1952 -16.070 -1.386 1.689 1.00 1.14 H new ATOM 0 HD13 LEU A1952 -17.287 -1.087 0.425 1.00 1.14 H new ATOM 0 HD21 LEU A1952 -15.432 -1.794 -1.932 1.00 1.15 H new ATOM 0 HD22 LEU A1952 -16.474 -0.351 -1.911 1.00 1.15 H new ATOM 0 HD23 LEU A1952 -14.723 -0.180 -2.180 1.00 1.15 H new ATOM 1009 N ASN A1953 -13.587 -0.050 3.203 1.00 0.48 N ATOM 1010 CA ASN A1953 -12.337 -0.603 3.680 1.00 0.45 C ATOM 1011 C ASN A1953 -11.913 -1.730 2.780 1.00 0.46 C ATOM 1012 O ASN A1953 -12.561 -2.776 2.745 1.00 0.64 O ATOM 1013 CB ASN A1953 -12.471 -1.143 5.110 1.00 0.59 C ATOM 1014 CG ASN A1953 -12.818 -0.107 6.158 1.00 1.20 C ATOM 1015 OD1 ASN A1953 -13.504 -0.411 7.128 1.00 1.86 O ATOM 1016 ND2 ASN A1953 -12.330 1.100 6.005 1.00 1.93 N ATOM 0 H ASN A1953 -14.392 -0.272 3.789 1.00 0.48 H new ATOM 0 HA ASN A1953 -11.595 0.195 3.676 1.00 0.45 H new ATOM 0 HB2 ASN A1953 -13.238 -1.917 5.119 1.00 0.59 H new ATOM 0 HB3 ASN A1953 -11.532 -1.621 5.391 1.00 0.59 H new ATOM 0 HD21 ASN A1953 -12.517 1.818 6.704 1.00 1.93 H new ATOM 0 HD22 ASN A1953 -11.763 1.321 5.186 1.00 1.93 H new ATOM 1023 N ALA A1954 -10.859 -1.523 2.034 1.00 0.43 N ATOM 1024 CA ALA A1954 -10.356 -2.552 1.146 1.00 0.58 C ATOM 1025 C ALA A1954 -9.395 -3.442 1.903 1.00 0.70 C ATOM 1026 O ALA A1954 -9.275 -4.633 1.629 1.00 1.17 O ATOM 1027 CB ALA A1954 -9.688 -1.941 -0.070 1.00 0.69 C ATOM 0 H ALA A1954 -10.328 -0.652 2.020 1.00 0.43 H new ATOM 0 HA ALA A1954 -11.192 -3.154 0.789 1.00 0.58 H new ATOM 0 HB1 ALA A1954 -9.319 -2.735 -0.720 1.00 0.69 H new ATOM 0 HB2 ALA A1954 -10.410 -1.332 -0.614 1.00 0.69 H new ATOM 0 HB3 ALA A1954 -8.854 -1.316 0.249 1.00 0.69 H new ATOM 1033 N GLY A1955 -8.744 -2.858 2.876 1.00 0.42 N ATOM 1034 CA GLY A1955 -7.825 -3.574 3.701 1.00 0.51 C ATOM 1035 C GLY A1955 -7.634 -2.855 5.000 1.00 0.43 C ATOM 1036 O GLY A1955 -7.571 -1.592 5.016 1.00 0.47 O ATOM 0 H GLY A1955 -8.841 -1.871 3.113 1.00 0.42 H new ATOM 0 HA2 GLY A1955 -8.198 -4.581 3.885 1.00 0.51 H new ATOM 0 HA3 GLY A1955 -6.868 -3.677 3.189 1.00 0.51 H new ATOM 1040 N LYS A1956 -7.572 -3.606 6.079 1.00 0.43 N ATOM 1041 CA LYS A1956 -7.374 -3.035 7.394 1.00 0.45 C ATOM 1042 C LYS A1956 -5.952 -2.566 7.548 1.00 0.38 C ATOM 1043 O LYS A1956 -5.096 -2.832 6.691 1.00 0.40 O ATOM 1044 CB LYS A1956 -7.703 -4.047 8.509 1.00 0.61 C ATOM 1045 CG LYS A1956 -6.927 -5.358 8.412 1.00 0.70 C ATOM 1046 CD LYS A1956 -7.174 -6.260 9.611 1.00 0.97 C ATOM 1047 CE LYS A1956 -6.461 -5.757 10.863 1.00 1.54 C ATOM 1048 NZ LYS A1956 -4.984 -5.824 10.725 1.00 2.43 N ATOM 0 H LYS A1956 -7.657 -4.622 6.070 1.00 0.43 H new ATOM 0 HA LYS A1956 -8.054 -2.189 7.489 1.00 0.45 H new ATOM 0 HB2 LYS A1956 -7.497 -3.586 9.475 1.00 0.61 H new ATOM 0 HB3 LYS A1956 -8.770 -4.267 8.482 1.00 0.61 H new ATOM 0 HG2 LYS A1956 -7.214 -5.882 7.500 1.00 0.70 H new ATOM 0 HG3 LYS A1956 -5.861 -5.143 8.334 1.00 0.70 H new ATOM 0 HD2 LYS A1956 -8.245 -6.321 9.804 1.00 0.97 H new ATOM 0 HD3 LYS A1956 -6.833 -7.270 9.381 1.00 0.97 H new ATOM 0 HE2 LYS A1956 -6.760 -4.728 11.062 1.00 1.54 H new ATOM 0 HE3 LYS A1956 -6.773 -6.352 11.722 1.00 1.54 H new ATOM 0 HZ1 LYS A1956 -4.612 -6.579 11.336 1.00 2.43 H new ATOM 0 HZ2 LYS A1956 -4.737 -6.026 9.735 1.00 2.43 H new ATOM 0 HZ3 LYS A1956 -4.567 -4.914 11.007 1.00 2.43 H new ATOM 1062 N LEU A1957 -5.701 -1.850 8.614 1.00 0.42 N ATOM 1063 CA LEU A1957 -4.377 -1.412 8.917 1.00 0.45 C ATOM 1064 C LEU A1957 -3.555 -2.612 9.372 1.00 0.45 C ATOM 1065 O LEU A1957 -3.706 -3.114 10.488 1.00 0.53 O ATOM 1066 CB LEU A1957 -4.412 -0.218 9.933 1.00 0.57 C ATOM 1067 CG LEU A1957 -3.081 0.422 10.401 1.00 0.77 C ATOM 1068 CD1 LEU A1957 -2.447 -0.363 11.536 1.00 1.24 C ATOM 1069 CD2 LEU A1957 -2.103 0.550 9.238 1.00 1.30 C ATOM 0 H LEU A1957 -6.409 -1.559 9.288 1.00 0.42 H new ATOM 0 HA LEU A1957 -3.882 -1.011 8.032 1.00 0.45 H new ATOM 0 HB2 LEU A1957 -5.016 0.572 9.488 1.00 0.57 H new ATOM 0 HB3 LEU A1957 -4.941 -0.561 10.822 1.00 0.57 H new ATOM 0 HG LEU A1957 -3.316 1.419 10.775 1.00 0.77 H new ATOM 0 HD11 LEU A1957 -1.516 0.118 11.835 1.00 1.24 H new ATOM 0 HD12 LEU A1957 -3.130 -0.391 12.385 1.00 1.24 H new ATOM 0 HD13 LEU A1957 -2.239 -1.380 11.203 1.00 1.24 H new ATOM 0 HD21 LEU A1957 -1.176 1.002 9.590 1.00 1.30 H new ATOM 0 HD22 LEU A1957 -1.893 -0.438 8.829 1.00 1.30 H new ATOM 0 HD23 LEU A1957 -2.541 1.178 8.462 1.00 1.30 H new ATOM 1081 N SER A1958 -2.801 -3.134 8.446 1.00 0.56 N ATOM 1082 CA SER A1958 -1.917 -4.226 8.688 1.00 0.67 C ATOM 1083 C SER A1958 -0.521 -3.824 8.249 1.00 0.65 C ATOM 1084 O SER A1958 -0.211 -3.781 7.061 1.00 0.84 O ATOM 1085 CB SER A1958 -2.399 -5.458 7.915 1.00 0.96 C ATOM 1086 OG SER A1958 -3.752 -5.755 8.248 1.00 1.62 O ATOM 0 H SER A1958 -2.788 -2.801 7.482 1.00 0.56 H new ATOM 0 HA SER A1958 -1.901 -4.476 9.749 1.00 0.67 H new ATOM 0 HB2 SER A1958 -2.312 -5.280 6.843 1.00 0.96 H new ATOM 0 HB3 SER A1958 -1.764 -6.313 8.148 1.00 0.96 H new ATOM 0 HG SER A1958 -4.116 -6.392 7.599 1.00 1.62 H new ATOM 1092 N LYS A1959 0.303 -3.498 9.197 1.00 0.59 N ATOM 1093 CA LYS A1959 1.632 -3.074 8.910 1.00 0.71 C ATOM 1094 C LYS A1959 2.585 -4.255 8.986 1.00 0.76 C ATOM 1095 O LYS A1959 3.276 -4.482 9.976 1.00 1.04 O ATOM 1096 CB LYS A1959 2.053 -1.853 9.775 1.00 0.86 C ATOM 1097 CG LYS A1959 1.884 -2.028 11.285 1.00 0.96 C ATOM 1098 CD LYS A1959 2.165 -0.732 12.056 1.00 1.10 C ATOM 1099 CE LYS A1959 1.142 0.355 11.734 1.00 0.98 C ATOM 1100 NZ LYS A1959 1.362 1.601 12.512 1.00 1.48 N ATOM 0 H LYS A1959 0.070 -3.520 10.190 1.00 0.59 H new ATOM 0 HA LYS A1959 1.677 -2.707 7.885 1.00 0.71 H new ATOM 0 HB2 LYS A1959 3.099 -1.626 9.568 1.00 0.86 H new ATOM 0 HB3 LYS A1959 1.470 -0.988 9.459 1.00 0.86 H new ATOM 0 HG2 LYS A1959 0.869 -2.362 11.498 1.00 0.96 H new ATOM 0 HG3 LYS A1959 2.557 -2.810 11.636 1.00 0.96 H new ATOM 0 HD2 LYS A1959 2.153 -0.936 13.127 1.00 1.10 H new ATOM 0 HD3 LYS A1959 3.165 -0.374 11.811 1.00 1.10 H new ATOM 0 HE2 LYS A1959 1.185 0.584 10.669 1.00 0.98 H new ATOM 0 HE3 LYS A1959 0.140 -0.023 11.938 1.00 0.98 H new ATOM 0 HZ1 LYS A1959 0.694 2.332 12.194 1.00 1.48 H new ATOM 0 HZ2 LYS A1959 1.211 1.410 13.523 1.00 1.48 H new ATOM 0 HZ3 LYS A1959 2.336 1.935 12.365 1.00 1.48 H new ATOM 1114 N THR A1960 2.524 -5.054 7.965 1.00 0.74 N ATOM 1115 CA THR A1960 3.331 -6.217 7.835 1.00 0.81 C ATOM 1116 C THR A1960 4.041 -6.142 6.489 1.00 0.77 C ATOM 1117 O THR A1960 3.410 -6.111 5.432 1.00 1.05 O ATOM 1118 CB THR A1960 2.470 -7.531 8.015 1.00 0.92 C ATOM 1119 OG1 THR A1960 3.258 -8.734 7.863 1.00 1.63 O ATOM 1120 CG2 THR A1960 1.261 -7.576 7.072 1.00 1.27 C ATOM 0 H THR A1960 1.891 -4.906 7.179 1.00 0.74 H new ATOM 0 HA THR A1960 4.082 -6.259 8.623 1.00 0.81 H new ATOM 0 HB THR A1960 2.100 -7.494 9.040 1.00 0.92 H new ATOM 0 HG1 THR A1960 2.684 -9.519 7.984 1.00 1.63 H new ATOM 0 HG21 THR A1960 0.705 -8.499 7.237 1.00 1.27 H new ATOM 0 HG22 THR A1960 0.614 -6.722 7.269 1.00 1.27 H new ATOM 0 HG23 THR A1960 1.604 -7.540 6.038 1.00 1.27 H new ATOM 1128 N LEU A1961 5.332 -6.071 6.540 1.00 0.55 N ATOM 1129 CA LEU A1961 6.116 -5.886 5.368 1.00 0.51 C ATOM 1130 C LEU A1961 6.896 -7.136 5.126 1.00 0.51 C ATOM 1131 O LEU A1961 7.362 -7.780 6.077 1.00 0.58 O ATOM 1132 CB LEU A1961 7.057 -4.697 5.546 1.00 0.62 C ATOM 1133 CG LEU A1961 7.754 -4.197 4.285 1.00 0.71 C ATOM 1134 CD1 LEU A1961 6.720 -3.737 3.261 1.00 1.35 C ATOM 1135 CD2 LEU A1961 8.709 -3.063 4.621 1.00 1.32 C ATOM 0 H LEU A1961 5.873 -6.140 7.402 1.00 0.55 H new ATOM 0 HA LEU A1961 5.471 -5.679 4.514 1.00 0.51 H new ATOM 0 HB2 LEU A1961 6.489 -3.871 5.974 1.00 0.62 H new ATOM 0 HB3 LEU A1961 7.820 -4.970 6.274 1.00 0.62 H new ATOM 0 HG LEU A1961 8.331 -5.016 3.856 1.00 0.71 H new ATOM 0 HD11 LEU A1961 7.229 -3.382 2.365 1.00 1.35 H new ATOM 0 HD12 LEU A1961 6.068 -4.571 3.002 1.00 1.35 H new ATOM 0 HD13 LEU A1961 6.124 -2.929 3.684 1.00 1.35 H new ATOM 0 HD21 LEU A1961 9.198 -2.718 3.710 1.00 1.32 H new ATOM 0 HD22 LEU A1961 8.153 -2.240 5.069 1.00 1.32 H new ATOM 0 HD23 LEU A1961 9.462 -3.418 5.325 1.00 1.32 H new ATOM 1147 N THR A1962 7.013 -7.497 3.901 1.00 0.51 N ATOM 1148 CA THR A1962 7.690 -8.683 3.522 1.00 0.58 C ATOM 1149 C THR A1962 8.247 -8.486 2.119 1.00 0.51 C ATOM 1150 O THR A1962 8.083 -7.423 1.534 1.00 0.72 O ATOM 1151 CB THR A1962 6.719 -9.921 3.638 1.00 0.72 C ATOM 1152 OG1 THR A1962 7.265 -11.123 3.056 1.00 1.19 O ATOM 1153 CG2 THR A1962 5.336 -9.610 3.070 1.00 0.61 C ATOM 0 H THR A1962 6.633 -6.966 3.117 1.00 0.51 H new ATOM 0 HA THR A1962 8.526 -8.892 4.190 1.00 0.58 H new ATOM 0 HB THR A1962 6.608 -10.116 4.705 1.00 0.72 H new ATOM 0 HG1 THR A1962 6.623 -11.857 3.158 1.00 1.19 H new ATOM 0 HG21 THR A1962 4.697 -10.487 3.168 1.00 0.61 H new ATOM 0 HG22 THR A1962 4.896 -8.777 3.619 1.00 0.61 H new ATOM 0 HG23 THR A1962 5.427 -9.343 2.017 1.00 0.61 H new ATOM 1161 N TYR A1963 8.912 -9.458 1.610 1.00 0.47 N ATOM 1162 CA TYR A1963 9.489 -9.395 0.305 1.00 0.48 C ATOM 1163 C TYR A1963 9.253 -10.719 -0.363 1.00 0.55 C ATOM 1164 O TYR A1963 9.272 -11.764 0.298 1.00 0.75 O ATOM 1165 CB TYR A1963 11.006 -9.055 0.371 1.00 0.62 C ATOM 1166 CG TYR A1963 11.825 -10.025 1.198 1.00 0.78 C ATOM 1167 CD1 TYR A1963 11.982 -9.844 2.564 1.00 0.78 C ATOM 1168 CD2 TYR A1963 12.464 -11.102 0.604 1.00 1.03 C ATOM 1169 CE1 TYR A1963 12.748 -10.706 3.307 1.00 1.01 C ATOM 1170 CE2 TYR A1963 13.235 -11.964 1.342 1.00 1.27 C ATOM 1171 CZ TYR A1963 13.266 -11.828 2.723 1.00 1.25 C ATOM 1172 OH TYR A1963 14.169 -12.611 3.428 1.00 1.52 O ATOM 0 H TYR A1963 9.077 -10.341 2.094 1.00 0.47 H new ATOM 0 HA TYR A1963 9.022 -8.597 -0.272 1.00 0.48 H new ATOM 0 HB2 TYR A1963 11.406 -9.032 -0.643 1.00 0.62 H new ATOM 0 HB3 TYR A1963 11.125 -8.053 0.784 1.00 0.62 H new ATOM 0 HD1 TYR A1963 11.494 -9.012 3.050 1.00 0.78 H new ATOM 0 HD2 TYR A1963 12.353 -11.265 -0.458 1.00 1.03 H new ATOM 0 HE1 TYR A1963 12.941 -10.499 4.349 1.00 1.01 H new ATOM 0 HE2 TYR A1963 13.810 -12.738 0.855 1.00 1.27 H new ATOM 0 HH TYR A1963 14.443 -13.372 2.875 1.00 1.52 H new ATOM 1182 N GLU A1964 8.998 -10.690 -1.626 1.00 0.54 N ATOM 1183 CA GLU A1964 8.750 -11.887 -2.370 1.00 0.70 C ATOM 1184 C GLU A1964 9.325 -11.661 -3.746 1.00 0.80 C ATOM 1185 O GLU A1964 9.026 -10.637 -4.366 1.00 0.78 O ATOM 1186 CB GLU A1964 7.239 -12.152 -2.448 1.00 0.87 C ATOM 1187 CG GLU A1964 6.864 -13.591 -2.733 1.00 1.25 C ATOM 1188 CD GLU A1964 7.300 -14.510 -1.615 1.00 1.87 C ATOM 1189 OE1 GLU A1964 6.616 -14.562 -0.562 1.00 2.75 O ATOM 1190 OE2 GLU A1964 8.347 -15.174 -1.747 1.00 2.22 O ATOM 0 H GLU A1964 8.954 -9.834 -2.179 1.00 0.54 H new ATOM 0 HA GLU A1964 9.208 -12.756 -1.897 1.00 0.70 H new ATOM 0 HB2 GLU A1964 6.782 -11.851 -1.505 1.00 0.87 H new ATOM 0 HB3 GLU A1964 6.812 -11.519 -3.226 1.00 0.87 H new ATOM 0 HG2 GLU A1964 5.785 -13.667 -2.868 1.00 1.25 H new ATOM 0 HG3 GLU A1964 7.325 -13.910 -3.668 1.00 1.25 H new ATOM 1197 N ASP A1965 10.224 -12.561 -4.168 1.00 1.04 N ATOM 1198 CA ASP A1965 10.932 -12.483 -5.479 1.00 1.25 C ATOM 1199 C ASP A1965 11.913 -11.297 -5.429 1.00 1.07 C ATOM 1200 O ASP A1965 12.337 -10.745 -6.436 1.00 1.08 O ATOM 1201 CB ASP A1965 9.919 -12.359 -6.655 1.00 1.46 C ATOM 1202 CG ASP A1965 10.535 -12.585 -8.025 1.00 2.18 C ATOM 1203 OD1 ASP A1965 10.894 -13.748 -8.332 1.00 2.64 O ATOM 1204 OD2 ASP A1965 10.619 -11.638 -8.834 1.00 2.74 O ATOM 0 H ASP A1965 10.491 -13.375 -3.614 1.00 1.04 H new ATOM 0 HA ASP A1965 11.493 -13.400 -5.658 1.00 1.25 H new ATOM 0 HB2 ASP A1965 9.115 -13.079 -6.506 1.00 1.46 H new ATOM 0 HB3 ASP A1965 9.468 -11.367 -6.630 1.00 1.46 H new ATOM 1209 N GLN A1966 12.271 -10.948 -4.182 1.00 1.03 N ATOM 1210 CA GLN A1966 13.160 -9.826 -3.805 1.00 1.04 C ATOM 1211 C GLN A1966 12.506 -8.460 -3.995 1.00 0.84 C ATOM 1212 O GLN A1966 13.098 -7.424 -3.682 1.00 1.05 O ATOM 1213 CB GLN A1966 14.552 -9.897 -4.447 1.00 1.33 C ATOM 1214 CG GLN A1966 15.325 -11.146 -4.066 1.00 1.71 C ATOM 1215 CD GLN A1966 16.761 -11.124 -4.538 1.00 2.12 C ATOM 1216 OE1 GLN A1966 17.387 -10.067 -4.635 1.00 2.66 O ATOM 1217 NE2 GLN A1966 17.287 -12.278 -4.845 1.00 2.40 N ATOM 0 H GLN A1966 11.935 -11.462 -3.368 1.00 1.03 H new ATOM 0 HA GLN A1966 13.324 -9.948 -2.734 1.00 1.04 H new ATOM 0 HB2 GLN A1966 14.447 -9.860 -5.531 1.00 1.33 H new ATOM 0 HB3 GLN A1966 15.126 -9.019 -4.152 1.00 1.33 H new ATOM 0 HG2 GLN A1966 15.307 -11.260 -2.982 1.00 1.71 H new ATOM 0 HG3 GLN A1966 14.824 -12.018 -4.487 1.00 1.71 H new ATOM 0 HE21 GLN A1966 16.736 -13.131 -4.751 1.00 2.40 H new ATOM 0 HE22 GLN A1966 18.250 -12.327 -5.179 1.00 2.40 H new ATOM 1226 N VAL A1967 11.285 -8.474 -4.470 1.00 0.60 N ATOM 1227 CA VAL A1967 10.497 -7.282 -4.612 1.00 0.49 C ATOM 1228 C VAL A1967 9.809 -7.077 -3.271 1.00 0.41 C ATOM 1229 O VAL A1967 9.494 -8.066 -2.585 1.00 0.41 O ATOM 1230 CB VAL A1967 9.435 -7.449 -5.753 1.00 0.52 C ATOM 1231 CG1 VAL A1967 8.630 -6.181 -5.974 1.00 1.01 C ATOM 1232 CG2 VAL A1967 10.105 -7.885 -7.050 1.00 1.06 C ATOM 0 H VAL A1967 10.808 -9.324 -4.771 1.00 0.60 H new ATOM 0 HA VAL A1967 11.117 -6.427 -4.882 1.00 0.49 H new ATOM 0 HB VAL A1967 8.740 -8.226 -5.434 1.00 0.52 H new ATOM 0 HG11 VAL A1967 7.907 -6.344 -6.773 1.00 1.01 H new ATOM 0 HG12 VAL A1967 8.103 -5.920 -5.056 1.00 1.01 H new ATOM 0 HG13 VAL A1967 9.301 -5.368 -6.251 1.00 1.01 H new ATOM 0 HG21 VAL A1967 9.351 -7.995 -7.830 1.00 1.06 H new ATOM 0 HG22 VAL A1967 10.834 -7.133 -7.354 1.00 1.06 H new ATOM 0 HG23 VAL A1967 10.610 -8.839 -6.896 1.00 1.06 H new ATOM 1242 N LEU A1968 9.572 -5.856 -2.886 1.00 0.41 N ATOM 1243 CA LEU A1968 9.005 -5.593 -1.596 1.00 0.38 C ATOM 1244 C LEU A1968 7.506 -5.783 -1.691 1.00 0.37 C ATOM 1245 O LEU A1968 6.863 -5.313 -2.630 1.00 0.49 O ATOM 1246 CB LEU A1968 9.355 -4.177 -1.137 1.00 0.42 C ATOM 1247 CG LEU A1968 8.975 -3.820 0.292 1.00 0.43 C ATOM 1248 CD1 LEU A1968 9.724 -4.704 1.269 1.00 0.47 C ATOM 1249 CD2 LEU A1968 9.274 -2.364 0.569 1.00 0.50 C ATOM 0 H LEU A1968 9.763 -5.026 -3.448 1.00 0.41 H new ATOM 0 HA LEU A1968 9.413 -6.282 -0.856 1.00 0.38 H new ATOM 0 HB2 LEU A1968 10.430 -4.036 -1.251 1.00 0.42 H new ATOM 0 HB3 LEU A1968 8.868 -3.469 -1.808 1.00 0.42 H new ATOM 0 HG LEU A1968 7.905 -3.985 0.419 1.00 0.43 H new ATOM 0 HD11 LEU A1968 9.444 -4.439 2.288 1.00 0.47 H new ATOM 0 HD12 LEU A1968 9.471 -5.748 1.083 1.00 0.47 H new ATOM 0 HD13 LEU A1968 10.797 -4.562 1.139 1.00 0.47 H new ATOM 0 HD21 LEU A1968 8.996 -2.124 1.595 1.00 0.50 H new ATOM 0 HD22 LEU A1968 10.339 -2.178 0.428 1.00 0.50 H new ATOM 0 HD23 LEU A1968 8.703 -1.738 -0.117 1.00 0.50 H new ATOM 1261 N LYS A1969 6.964 -6.496 -0.767 1.00 0.33 N ATOM 1262 CA LYS A1969 5.567 -6.850 -0.818 1.00 0.36 C ATOM 1263 C LYS A1969 4.829 -6.412 0.431 1.00 0.34 C ATOM 1264 O LYS A1969 5.311 -6.590 1.562 1.00 0.36 O ATOM 1265 CB LYS A1969 5.404 -8.366 -1.016 1.00 0.47 C ATOM 1266 CG LYS A1969 5.961 -8.918 -2.330 1.00 0.73 C ATOM 1267 CD LYS A1969 5.140 -8.504 -3.552 1.00 1.19 C ATOM 1268 CE LYS A1969 5.744 -9.091 -4.829 1.00 1.19 C ATOM 1269 NZ LYS A1969 4.893 -8.874 -6.027 1.00 1.29 N ATOM 0 H LYS A1969 7.464 -6.855 0.047 1.00 0.33 H new ATOM 0 HA LYS A1969 5.130 -6.325 -1.668 1.00 0.36 H new ATOM 0 HB2 LYS A1969 5.895 -8.879 -0.189 1.00 0.47 H new ATOM 0 HB3 LYS A1969 4.343 -8.611 -0.959 1.00 0.47 H new ATOM 0 HG2 LYS A1969 6.987 -8.573 -2.456 1.00 0.73 H new ATOM 0 HG3 LYS A1969 5.995 -10.006 -2.274 1.00 0.73 H new ATOM 0 HD2 LYS A1969 4.111 -8.846 -3.439 1.00 1.19 H new ATOM 0 HD3 LYS A1969 5.108 -7.417 -3.624 1.00 1.19 H new ATOM 0 HE2 LYS A1969 6.723 -8.644 -5.000 1.00 1.19 H new ATOM 0 HE3 LYS A1969 5.902 -10.161 -4.691 1.00 1.19 H new ATOM 0 HZ1 LYS A1969 5.493 -8.621 -6.838 1.00 1.29 H new ATOM 0 HZ2 LYS A1969 4.369 -9.746 -6.243 1.00 1.29 H new ATOM 0 HZ3 LYS A1969 4.221 -8.103 -5.840 1.00 1.29 H new ATOM 1283 N LEU A1970 3.686 -5.834 0.212 1.00 0.42 N ATOM 1284 CA LEU A1970 2.785 -5.431 1.254 1.00 0.49 C ATOM 1285 C LEU A1970 1.416 -5.971 0.898 1.00 0.46 C ATOM 1286 O LEU A1970 1.014 -5.917 -0.268 1.00 0.57 O ATOM 1287 CB LEU A1970 2.740 -3.906 1.350 1.00 0.60 C ATOM 1288 CG LEU A1970 1.749 -3.300 2.350 1.00 0.91 C ATOM 1289 CD1 LEU A1970 2.095 -3.683 3.777 1.00 1.11 C ATOM 1290 CD2 LEU A1970 1.706 -1.798 2.196 1.00 1.75 C ATOM 0 H LEU A1970 3.343 -5.623 -0.725 1.00 0.42 H new ATOM 0 HA LEU A1970 3.113 -5.818 2.219 1.00 0.49 H new ATOM 0 HB2 LEU A1970 3.739 -3.553 1.607 1.00 0.60 H new ATOM 0 HB3 LEU A1970 2.507 -3.511 0.361 1.00 0.60 H new ATOM 0 HG LEU A1970 0.761 -3.705 2.133 1.00 0.91 H new ATOM 0 HD11 LEU A1970 1.372 -3.236 4.459 1.00 1.11 H new ATOM 0 HD12 LEU A1970 2.068 -4.768 3.879 1.00 1.11 H new ATOM 0 HD13 LEU A1970 3.094 -3.320 4.019 1.00 1.11 H new ATOM 0 HD21 LEU A1970 0.999 -1.379 2.912 1.00 1.75 H new ATOM 0 HD22 LEU A1970 2.697 -1.385 2.381 1.00 1.75 H new ATOM 0 HD23 LEU A1970 1.391 -1.545 1.184 1.00 1.75 H new ATOM 1302 N VAL A1971 0.725 -6.520 1.857 1.00 0.46 N ATOM 1303 CA VAL A1971 -0.591 -7.071 1.617 1.00 0.48 C ATOM 1304 C VAL A1971 -1.607 -6.550 2.621 1.00 0.45 C ATOM 1305 O VAL A1971 -1.525 -6.825 3.817 1.00 0.60 O ATOM 1306 CB VAL A1971 -0.605 -8.644 1.572 1.00 0.64 C ATOM 1307 CG1 VAL A1971 0.080 -9.153 0.309 1.00 0.73 C ATOM 1308 CG2 VAL A1971 0.072 -9.252 2.802 1.00 0.74 C ATOM 0 H VAL A1971 1.049 -6.601 2.821 1.00 0.46 H new ATOM 0 HA VAL A1971 -0.880 -6.727 0.624 1.00 0.48 H new ATOM 0 HB VAL A1971 -1.650 -8.955 1.567 1.00 0.64 H new ATOM 0 HG11 VAL A1971 0.059 -10.243 0.298 1.00 0.73 H new ATOM 0 HG12 VAL A1971 -0.443 -8.771 -0.568 1.00 0.73 H new ATOM 0 HG13 VAL A1971 1.114 -8.810 0.292 1.00 0.73 H new ATOM 0 HG21 VAL A1971 0.042 -10.339 2.734 1.00 0.74 H new ATOM 0 HG22 VAL A1971 1.109 -8.920 2.848 1.00 0.74 H new ATOM 0 HG23 VAL A1971 -0.452 -8.930 3.702 1.00 0.74 H new ATOM 1318 N TYR A1972 -2.533 -5.758 2.146 1.00 0.38 N ATOM 1319 CA TYR A1972 -3.596 -5.282 3.003 1.00 0.39 C ATOM 1320 C TYR A1972 -4.792 -6.162 2.860 1.00 0.45 C ATOM 1321 O TYR A1972 -5.483 -6.140 1.832 1.00 0.55 O ATOM 1322 CB TYR A1972 -3.974 -3.819 2.767 1.00 0.43 C ATOM 1323 CG TYR A1972 -2.964 -2.827 3.247 1.00 0.56 C ATOM 1324 CD1 TYR A1972 -2.409 -2.950 4.494 1.00 0.75 C ATOM 1325 CD2 TYR A1972 -2.521 -1.802 2.432 1.00 0.79 C ATOM 1326 CE1 TYR A1972 -1.459 -2.098 4.936 1.00 0.97 C ATOM 1327 CE2 TYR A1972 -1.550 -0.941 2.868 1.00 0.98 C ATOM 1328 CZ TYR A1972 -1.200 -0.924 4.122 1.00 1.04 C ATOM 1329 OH TYR A1972 -0.058 -0.284 4.558 1.00 1.27 O ATOM 0 H TYR A1972 -2.576 -5.430 1.181 1.00 0.38 H new ATOM 0 HA TYR A1972 -3.216 -5.327 4.024 1.00 0.39 H new ATOM 0 HB2 TYR A1972 -4.134 -3.667 1.700 1.00 0.43 H new ATOM 0 HB3 TYR A1972 -4.924 -3.619 3.263 1.00 0.43 H new ATOM 0 HD1 TYR A1972 -2.740 -3.749 5.140 1.00 0.75 H new ATOM 0 HD2 TYR A1972 -2.943 -1.680 1.446 1.00 0.79 H new ATOM 0 HE1 TYR A1972 -0.917 -2.281 5.852 1.00 0.97 H new ATOM 0 HE2 TYR A1972 -1.072 -0.272 2.168 1.00 0.98 H new ATOM 0 HH TYR A1972 0.462 -0.892 5.124 1.00 1.27 H new ATOM 1339 N GLU A1973 -5.016 -6.951 3.851 1.00 0.57 N ATOM 1340 CA GLU A1973 -6.085 -7.884 3.842 1.00 0.73 C ATOM 1341 C GLU A1973 -7.247 -7.450 4.705 1.00 0.58 C ATOM 1342 O GLU A1973 -7.130 -6.491 5.457 1.00 0.57 O ATOM 1343 CB GLU A1973 -5.585 -9.313 4.164 1.00 1.09 C ATOM 1344 CG GLU A1973 -4.530 -9.436 5.269 1.00 1.33 C ATOM 1345 CD GLU A1973 -5.007 -9.048 6.643 1.00 1.89 C ATOM 1346 OE1 GLU A1973 -5.712 -9.862 7.287 1.00 2.17 O ATOM 1347 OE2 GLU A1973 -4.647 -7.959 7.118 1.00 2.75 O ATOM 0 H GLU A1973 -4.454 -6.966 4.702 1.00 0.57 H new ATOM 0 HA GLU A1973 -6.482 -7.912 2.827 1.00 0.73 H new ATOM 0 HB2 GLU A1973 -6.446 -9.920 4.445 1.00 1.09 H new ATOM 0 HB3 GLU A1973 -5.175 -9.745 3.251 1.00 1.09 H new ATOM 0 HG2 GLU A1973 -4.175 -10.466 5.300 1.00 1.33 H new ATOM 0 HG3 GLU A1973 -3.675 -8.812 5.007 1.00 1.33 H new ATOM 1354 N ASP A1974 -8.380 -8.115 4.469 1.00 0.73 N ATOM 1355 CA ASP A1974 -9.656 -7.988 5.223 1.00 0.79 C ATOM 1356 C ASP A1974 -10.006 -6.571 5.711 1.00 0.83 C ATOM 1357 O ASP A1974 -9.552 -6.128 6.756 1.00 1.13 O ATOM 1358 CB ASP A1974 -9.719 -8.992 6.379 1.00 1.03 C ATOM 1359 CG ASP A1974 -11.040 -8.964 7.123 1.00 1.29 C ATOM 1360 OD1 ASP A1974 -12.054 -9.472 6.592 1.00 1.56 O ATOM 1361 OD2 ASP A1974 -11.101 -8.383 8.229 1.00 1.57 O ATOM 0 H ASP A1974 -8.449 -8.794 3.711 1.00 0.73 H new ATOM 0 HA ASP A1974 -10.425 -8.223 4.487 1.00 0.79 H new ATOM 0 HB2 ASP A1974 -9.550 -9.996 5.989 1.00 1.03 H new ATOM 0 HB3 ASP A1974 -8.911 -8.781 7.079 1.00 1.03 H new ATOM 1366 N GLY A1975 -10.791 -5.869 4.944 1.00 1.18 N ATOM 1367 CA GLY A1975 -11.244 -4.570 5.368 1.00 1.43 C ATOM 1368 C GLY A1975 -12.683 -4.654 5.794 1.00 1.27 C ATOM 1369 O GLY A1975 -12.989 -4.864 6.972 1.00 1.57 O ATOM 0 H GLY A1975 -11.129 -6.168 4.030 1.00 1.18 H new ATOM 0 HA2 GLY A1975 -10.630 -4.211 6.194 1.00 1.43 H new ATOM 0 HA3 GLY A1975 -11.136 -3.852 4.555 1.00 1.43 H new ATOM 1373 N ASP A1976 -13.557 -4.474 4.849 1.00 0.96 N ATOM 1374 CA ASP A1976 -14.968 -4.672 5.056 1.00 0.90 C ATOM 1375 C ASP A1976 -15.344 -5.897 4.266 1.00 0.95 C ATOM 1376 O ASP A1976 -15.139 -5.916 3.046 1.00 1.08 O ATOM 1377 CB ASP A1976 -15.775 -3.460 4.577 1.00 0.95 C ATOM 1378 CG ASP A1976 -17.272 -3.618 4.802 1.00 1.57 C ATOM 1379 OD1 ASP A1976 -17.746 -3.388 5.942 1.00 2.24 O ATOM 1380 OD2 ASP A1976 -18.007 -3.951 3.851 1.00 2.08 O ATOM 0 H ASP A1976 -13.312 -4.183 3.903 1.00 0.96 H new ATOM 0 HA ASP A1976 -15.188 -4.796 6.116 1.00 0.90 H new ATOM 0 HB2 ASP A1976 -15.426 -2.569 5.099 1.00 0.95 H new ATOM 0 HB3 ASP A1976 -15.587 -3.302 3.515 1.00 0.95 H new ATOM 1385 N PRO A1977 -15.802 -6.962 4.949 1.00 1.16 N ATOM 1386 CA PRO A1977 -16.143 -8.244 4.319 1.00 1.39 C ATOM 1387 C PRO A1977 -17.129 -8.105 3.167 1.00 1.45 C ATOM 1388 O PRO A1977 -18.334 -7.824 3.360 1.00 1.66 O ATOM 1389 CB PRO A1977 -16.746 -9.082 5.449 1.00 1.68 C ATOM 1390 CG PRO A1977 -16.995 -8.127 6.564 1.00 1.68 C ATOM 1391 CD PRO A1977 -16.017 -7.005 6.396 1.00 1.41 C ATOM 0 HA PRO A1977 -15.260 -8.699 3.871 1.00 1.39 H new ATOM 0 HB2 PRO A1977 -17.671 -9.563 5.130 1.00 1.68 H new ATOM 0 HB3 PRO A1977 -16.064 -9.875 5.756 1.00 1.68 H new ATOM 0 HG2 PRO A1977 -18.019 -7.755 6.534 1.00 1.68 H new ATOM 0 HG3 PRO A1977 -16.861 -8.616 7.529 1.00 1.68 H new ATOM 0 HD2 PRO A1977 -16.417 -6.063 6.772 1.00 1.41 H new ATOM 0 HD3 PRO A1977 -15.089 -7.196 6.935 1.00 1.41 H new ATOM 1399 N CYS A1978 -16.626 -8.298 1.993 1.00 1.46 N ATOM 1400 CA CYS A1978 -17.392 -8.188 0.806 1.00 1.62 C ATOM 1401 C CYS A1978 -18.185 -9.473 0.627 1.00 1.87 C ATOM 1402 O CYS A1978 -17.844 -10.496 1.224 1.00 1.90 O ATOM 1403 CB CYS A1978 -16.449 -7.928 -0.382 1.00 1.58 C ATOM 1404 SG CYS A1978 -15.453 -6.401 -0.202 1.00 1.81 S ATOM 0 H CYS A1978 -15.648 -8.542 1.834 1.00 1.46 H new ATOM 0 HA CYS A1978 -18.091 -7.354 0.864 1.00 1.62 H new ATOM 0 HB2 CYS A1978 -15.778 -8.779 -0.496 1.00 1.58 H new ATOM 0 HB3 CYS A1978 -17.039 -7.862 -1.296 1.00 1.58 H new ATOM 1409 N PRO A1979 -19.257 -9.457 -0.188 1.00 2.20 N ATOM 1410 CA PRO A1979 -20.123 -10.638 -0.424 1.00 2.55 C ATOM 1411 C PRO A1979 -19.385 -11.836 -1.025 1.00 2.56 C ATOM 1412 O PRO A1979 -19.949 -12.921 -1.163 1.00 2.76 O ATOM 1413 CB PRO A1979 -21.152 -10.120 -1.422 1.00 2.93 C ATOM 1414 CG PRO A1979 -20.523 -8.926 -2.033 1.00 2.90 C ATOM 1415 CD PRO A1979 -19.749 -8.288 -0.938 1.00 2.38 C ATOM 0 HA PRO A1979 -20.536 -11.011 0.514 1.00 2.55 H new ATOM 0 HB2 PRO A1979 -21.386 -10.873 -2.175 1.00 2.93 H new ATOM 0 HB3 PRO A1979 -22.088 -9.863 -0.927 1.00 2.93 H new ATOM 0 HG2 PRO A1979 -19.874 -9.205 -2.863 1.00 2.90 H new ATOM 0 HG3 PRO A1979 -21.275 -8.245 -2.431 1.00 2.90 H new ATOM 0 HD2 PRO A1979 -18.932 -7.675 -1.319 1.00 2.38 H new ATOM 0 HD3 PRO A1979 -20.373 -7.641 -0.321 1.00 2.38 H new ATOM 1423 N THR A1980 -18.168 -11.631 -1.400 1.00 2.44 N ATOM 1424 CA THR A1980 -17.377 -12.669 -1.942 1.00 2.58 C ATOM 1425 C THR A1980 -16.419 -13.257 -0.895 1.00 2.52 C ATOM 1426 O THR A1980 -16.155 -14.458 -0.906 1.00 2.86 O ATOM 1427 CB THR A1980 -16.612 -12.162 -3.159 1.00 2.52 C ATOM 1428 OG1 THR A1980 -17.560 -11.564 -4.066 1.00 2.72 O ATOM 1429 CG2 THR A1980 -15.904 -13.310 -3.863 1.00 2.83 C ATOM 0 H THR A1980 -17.696 -10.729 -1.336 1.00 2.44 H new ATOM 0 HA THR A1980 -18.042 -13.474 -2.256 1.00 2.58 H new ATOM 0 HB THR A1980 -15.863 -11.436 -2.842 1.00 2.52 H new ATOM 0 HG1 THR A1980 -17.079 -11.090 -4.776 1.00 2.72 H new ATOM 0 HG21 THR A1980 -15.364 -12.928 -4.729 1.00 2.83 H new ATOM 0 HG22 THR A1980 -15.201 -13.780 -3.175 1.00 2.83 H new ATOM 0 HG23 THR A1980 -16.639 -14.045 -4.190 1.00 2.83 H new ATOM 1437 N ASP A1981 -15.958 -12.450 0.060 1.00 2.25 N ATOM 1438 CA ASP A1981 -14.976 -12.958 1.025 1.00 2.32 C ATOM 1439 C ASP A1981 -15.625 -13.498 2.275 1.00 2.24 C ATOM 1440 O ASP A1981 -15.505 -12.972 3.391 1.00 2.36 O ATOM 1441 CB ASP A1981 -13.770 -12.022 1.308 1.00 2.46 C ATOM 1442 CG ASP A1981 -14.106 -10.694 1.924 1.00 2.87 C ATOM 1443 OD1 ASP A1981 -14.388 -9.758 1.164 1.00 3.37 O ATOM 1444 OD2 ASP A1981 -13.976 -10.532 3.149 1.00 3.20 O ATOM 0 H ASP A1981 -16.234 -11.476 0.188 1.00 2.25 H new ATOM 0 HA ASP A1981 -14.514 -13.805 0.518 1.00 2.32 H new ATOM 0 HB2 ASP A1981 -13.077 -12.543 1.968 1.00 2.46 H new ATOM 0 HB3 ASP A1981 -13.244 -11.844 0.370 1.00 2.46 H new ATOM 1449 N LEU A1982 -16.390 -14.511 2.044 1.00 2.24 N ATOM 1450 CA LEU A1982 -17.097 -15.210 3.067 1.00 2.35 C ATOM 1451 C LEU A1982 -16.276 -16.419 3.461 1.00 2.41 C ATOM 1452 O LEU A1982 -15.866 -16.584 4.595 1.00 2.56 O ATOM 1453 CB LEU A1982 -18.428 -15.673 2.496 1.00 2.55 C ATOM 1454 CG LEU A1982 -19.200 -14.636 1.699 1.00 2.64 C ATOM 1455 CD1 LEU A1982 -20.392 -15.275 1.044 1.00 2.83 C ATOM 1456 CD2 LEU A1982 -19.621 -13.486 2.580 1.00 2.91 C ATOM 0 H LEU A1982 -16.546 -14.888 1.109 1.00 2.24 H new ATOM 0 HA LEU A1982 -17.266 -14.571 3.934 1.00 2.35 H new ATOM 0 HB2 LEU A1982 -18.247 -16.536 1.855 1.00 2.55 H new ATOM 0 HB3 LEU A1982 -19.057 -16.014 3.319 1.00 2.55 H new ATOM 0 HG LEU A1982 -18.549 -14.237 0.922 1.00 2.64 H new ATOM 0 HD11 LEU A1982 -20.940 -14.524 0.474 1.00 2.83 H new ATOM 0 HD12 LEU A1982 -20.058 -16.067 0.373 1.00 2.83 H new ATOM 0 HD13 LEU A1982 -21.044 -15.698 1.808 1.00 2.83 H new ATOM 0 HD21 LEU A1982 -20.172 -12.756 1.987 1.00 2.91 H new ATOM 0 HD22 LEU A1982 -20.258 -13.857 3.383 1.00 2.91 H new ATOM 0 HD23 LEU A1982 -18.737 -13.013 3.008 1.00 2.91 H new ATOM 1468 N LYS A1983 -16.013 -17.237 2.467 1.00 2.40 N ATOM 1469 CA LYS A1983 -15.307 -18.489 2.610 1.00 2.57 C ATOM 1470 C LYS A1983 -13.907 -18.370 2.006 1.00 2.46 C ATOM 1471 O LYS A1983 -13.254 -19.371 1.684 1.00 2.62 O ATOM 1472 CB LYS A1983 -16.122 -19.567 1.891 1.00 2.75 C ATOM 1473 CG LYS A1983 -17.503 -19.762 2.483 1.00 2.91 C ATOM 1474 CD LYS A1983 -18.328 -20.750 1.689 1.00 3.23 C ATOM 1475 CE LYS A1983 -19.704 -20.946 2.311 1.00 3.77 C ATOM 1476 NZ LYS A1983 -19.616 -21.508 3.680 1.00 4.43 N ATOM 0 H LYS A1983 -16.294 -17.042 1.506 1.00 2.40 H new ATOM 0 HA LYS A1983 -15.192 -18.751 3.662 1.00 2.57 H new ATOM 0 HB2 LYS A1983 -16.219 -19.299 0.839 1.00 2.75 H new ATOM 0 HB3 LYS A1983 -15.579 -20.511 1.931 1.00 2.75 H new ATOM 0 HG2 LYS A1983 -17.410 -20.112 3.511 1.00 2.91 H new ATOM 0 HG3 LYS A1983 -18.021 -18.803 2.518 1.00 2.91 H new ATOM 0 HD2 LYS A1983 -18.437 -20.396 0.664 1.00 3.23 H new ATOM 0 HD3 LYS A1983 -17.808 -21.707 1.642 1.00 3.23 H new ATOM 0 HE2 LYS A1983 -20.227 -19.990 2.344 1.00 3.77 H new ATOM 0 HE3 LYS A1983 -20.295 -21.612 1.682 1.00 3.77 H new ATOM 0 HZ1 LYS A1983 -20.553 -21.846 3.977 1.00 4.43 H new ATOM 0 HZ2 LYS A1983 -18.943 -22.301 3.687 1.00 4.43 H new ATOM 0 HZ3 LYS A1983 -19.289 -20.771 4.337 1.00 4.43 H new ATOM 1490 N MET A1984 -13.445 -17.154 1.907 1.00 2.32 N ATOM 1491 CA MET A1984 -12.198 -16.807 1.360 1.00 2.29 C ATOM 1492 C MET A1984 -11.912 -15.447 1.914 1.00 2.18 C ATOM 1493 O MET A1984 -12.823 -14.794 2.409 1.00 2.40 O ATOM 1494 CB MET A1984 -12.249 -16.752 -0.192 1.00 2.28 C ATOM 1495 CG MET A1984 -13.208 -15.706 -0.768 1.00 2.33 C ATOM 1496 SD MET A1984 -13.174 -15.612 -2.580 1.00 2.53 S ATOM 1497 CE MET A1984 -11.465 -15.134 -2.854 1.00 2.68 C ATOM 0 H MET A1984 -13.974 -16.344 2.230 1.00 2.32 H new ATOM 0 HA MET A1984 -11.432 -17.540 1.612 1.00 2.29 H new ATOM 0 HB2 MET A1984 -11.246 -16.550 -0.567 1.00 2.28 H new ATOM 0 HB3 MET A1984 -12.538 -17.734 -0.567 1.00 2.28 H new ATOM 0 HG2 MET A1984 -14.223 -15.937 -0.443 1.00 2.33 H new ATOM 0 HG3 MET A1984 -12.956 -14.728 -0.357 1.00 2.33 H new ATOM 0 HE1 MET A1984 -11.371 -14.663 -3.833 1.00 2.68 H new ATOM 0 HE2 MET A1984 -11.156 -14.430 -2.082 1.00 2.68 H new ATOM 0 HE3 MET A1984 -10.829 -16.018 -2.814 1.00 2.68 H new ATOM 1507 N LYS A1985 -10.708 -15.057 1.885 1.00 2.14 N ATOM 1508 CA LYS A1985 -10.302 -13.751 2.340 1.00 2.09 C ATOM 1509 C LYS A1985 -9.461 -13.025 1.332 1.00 1.89 C ATOM 1510 O LYS A1985 -8.620 -13.615 0.646 1.00 2.34 O ATOM 1511 CB LYS A1985 -9.663 -13.768 3.737 1.00 2.67 C ATOM 1512 CG LYS A1985 -10.699 -13.827 4.843 1.00 3.08 C ATOM 1513 CD LYS A1985 -11.591 -12.596 4.759 1.00 3.73 C ATOM 1514 CE LYS A1985 -12.768 -12.660 5.699 1.00 4.42 C ATOM 1515 NZ LYS A1985 -13.579 -11.434 5.601 1.00 4.89 N ATOM 0 H LYS A1985 -9.939 -15.632 1.540 1.00 2.14 H new ATOM 0 HA LYS A1985 -11.223 -13.177 2.444 1.00 2.09 H new ATOM 0 HB2 LYS A1985 -8.998 -14.627 3.819 1.00 2.67 H new ATOM 0 HB3 LYS A1985 -9.049 -12.876 3.864 1.00 2.67 H new ATOM 0 HG2 LYS A1985 -11.298 -14.732 4.748 1.00 3.08 H new ATOM 0 HG3 LYS A1985 -10.208 -13.870 5.815 1.00 3.08 H new ATOM 0 HD2 LYS A1985 -11.000 -11.709 4.985 1.00 3.73 H new ATOM 0 HD3 LYS A1985 -11.954 -12.485 3.737 1.00 3.73 H new ATOM 0 HE2 LYS A1985 -13.382 -13.529 5.462 1.00 4.42 H new ATOM 0 HE3 LYS A1985 -12.416 -12.788 6.723 1.00 4.42 H new ATOM 0 HZ1 LYS A1985 -14.403 -11.512 6.231 1.00 4.89 H new ATOM 0 HZ2 LYS A1985 -13.004 -10.614 5.882 1.00 4.89 H new ATOM 0 HZ3 LYS A1985 -13.903 -11.310 4.621 1.00 4.89 H new ATOM 1529 N HIS A1986 -9.700 -11.744 1.239 1.00 1.63 N ATOM 1530 CA HIS A1986 -9.046 -10.923 0.258 1.00 1.68 C ATOM 1531 C HIS A1986 -7.877 -10.174 0.852 1.00 1.14 C ATOM 1532 O HIS A1986 -7.948 -9.700 1.993 1.00 1.35 O ATOM 1533 CB HIS A1986 -10.042 -9.921 -0.399 1.00 2.46 C ATOM 1534 CG HIS A1986 -10.590 -8.796 0.491 1.00 3.48 C ATOM 1535 ND1 HIS A1986 -11.879 -8.758 0.980 1.00 4.38 N ATOM 1536 CD2 HIS A1986 -10.018 -7.648 0.922 1.00 4.21 C ATOM 1537 CE1 HIS A1986 -12.062 -7.662 1.659 1.00 5.37 C ATOM 1538 NE2 HIS A1986 -10.953 -6.961 1.643 1.00 5.32 N ATOM 0 H HIS A1986 -10.353 -11.242 1.841 1.00 1.63 H new ATOM 0 HA HIS A1986 -8.668 -11.593 -0.514 1.00 1.68 H new ATOM 0 HB2 HIS A1986 -9.547 -9.464 -1.256 1.00 2.46 H new ATOM 0 HB3 HIS A1986 -10.888 -10.489 -0.786 1.00 2.46 H new ATOM 0 HD2 HIS A1986 -9.003 -7.331 0.730 1.00 4.21 H new ATOM 0 HE1 HIS A1986 -12.978 -7.376 2.155 1.00 5.37 H new ATOM 0 HE2 HIS A1986 -10.813 -6.056 2.093 1.00 5.32 H new ATOM 1547 N LYS A1987 -6.830 -10.064 0.082 1.00 1.12 N ATOM 1548 CA LYS A1987 -5.694 -9.268 0.417 1.00 1.18 C ATOM 1549 C LYS A1987 -5.317 -8.465 -0.798 1.00 1.02 C ATOM 1550 O LYS A1987 -5.364 -8.970 -1.914 1.00 1.30 O ATOM 1551 CB LYS A1987 -4.506 -10.121 0.926 1.00 1.91 C ATOM 1552 CG LYS A1987 -4.087 -11.276 0.027 1.00 2.70 C ATOM 1553 CD LYS A1987 -2.849 -11.969 0.582 1.00 3.34 C ATOM 1554 CE LYS A1987 -2.478 -13.209 -0.222 1.00 3.96 C ATOM 1555 NZ LYS A1987 -3.473 -14.296 -0.072 1.00 4.45 N ATOM 0 H LYS A1987 -6.746 -10.539 -0.817 1.00 1.12 H new ATOM 0 HA LYS A1987 -5.950 -8.603 1.242 1.00 1.18 H new ATOM 0 HB2 LYS A1987 -3.647 -9.465 1.068 1.00 1.91 H new ATOM 0 HB3 LYS A1987 -4.765 -10.523 1.905 1.00 1.91 H new ATOM 0 HG2 LYS A1987 -4.904 -11.993 -0.057 1.00 2.70 H new ATOM 0 HG3 LYS A1987 -3.883 -10.906 -0.978 1.00 2.70 H new ATOM 0 HD2 LYS A1987 -2.011 -11.271 0.579 1.00 3.34 H new ATOM 0 HD3 LYS A1987 -3.026 -12.250 1.620 1.00 3.34 H new ATOM 0 HE2 LYS A1987 -2.390 -12.943 -1.275 1.00 3.96 H new ATOM 0 HE3 LYS A1987 -1.500 -13.568 0.099 1.00 3.96 H new ATOM 0 HZ1 LYS A1987 -3.099 -15.170 -0.494 1.00 4.45 H new ATOM 0 HZ2 LYS A1987 -3.665 -14.454 0.938 1.00 4.45 H new ATOM 0 HZ3 LYS A1987 -4.355 -14.028 -0.554 1.00 4.45 H new ATOM 1569 N SER A1988 -4.996 -7.237 -0.598 1.00 0.68 N ATOM 1570 CA SER A1988 -4.626 -6.384 -1.676 1.00 0.60 C ATOM 1571 C SER A1988 -3.125 -6.440 -1.827 1.00 0.50 C ATOM 1572 O SER A1988 -2.388 -6.385 -0.826 1.00 0.57 O ATOM 1573 CB SER A1988 -5.114 -4.977 -1.394 1.00 0.64 C ATOM 1574 OG SER A1988 -6.524 -4.972 -1.191 1.00 1.41 O ATOM 0 H SER A1988 -4.982 -6.792 0.319 1.00 0.68 H new ATOM 0 HA SER A1988 -5.083 -6.708 -2.611 1.00 0.60 H new ATOM 0 HB2 SER A1988 -4.612 -4.581 -0.511 1.00 0.64 H new ATOM 0 HB3 SER A1988 -4.858 -4.323 -2.227 1.00 0.64 H new ATOM 0 HG SER A1988 -6.825 -4.057 -1.008 1.00 1.41 H new ATOM 1580 N TYR A1989 -2.692 -6.562 -3.055 1.00 0.51 N ATOM 1581 CA TYR A1989 -1.321 -6.836 -3.383 1.00 0.49 C ATOM 1582 C TYR A1989 -0.602 -5.549 -3.727 1.00 0.41 C ATOM 1583 O TYR A1989 -0.886 -4.925 -4.759 1.00 0.42 O ATOM 1584 CB TYR A1989 -1.274 -7.771 -4.598 1.00 0.63 C ATOM 1585 CG TYR A1989 -2.238 -8.948 -4.537 1.00 0.75 C ATOM 1586 CD1 TYR A1989 -1.909 -10.131 -3.888 1.00 1.18 C ATOM 1587 CD2 TYR A1989 -3.486 -8.863 -5.149 1.00 1.69 C ATOM 1588 CE1 TYR A1989 -2.799 -11.192 -3.852 1.00 1.40 C ATOM 1589 CE2 TYR A1989 -4.375 -9.914 -5.118 1.00 2.13 C ATOM 1590 CZ TYR A1989 -4.033 -11.075 -4.471 1.00 1.66 C ATOM 1591 OH TYR A1989 -4.926 -12.133 -4.447 1.00 2.20 O ATOM 0 H TYR A1989 -3.297 -6.471 -3.871 1.00 0.51 H new ATOM 0 HA TYR A1989 -0.835 -7.303 -2.527 1.00 0.49 H new ATOM 0 HB2 TYR A1989 -1.489 -7.190 -5.494 1.00 0.63 H new ATOM 0 HB3 TYR A1989 -0.260 -8.156 -4.703 1.00 0.63 H new ATOM 0 HD1 TYR A1989 -0.947 -10.225 -3.405 1.00 1.18 H new ATOM 0 HD2 TYR A1989 -3.763 -7.952 -5.659 1.00 1.69 H new ATOM 0 HE1 TYR A1989 -2.532 -12.107 -3.343 1.00 1.40 H new ATOM 0 HE2 TYR A1989 -5.337 -9.825 -5.601 1.00 2.13 H new ATOM 0 HH TYR A1989 -5.743 -11.883 -4.927 1.00 2.20 H new ATOM 1601 N PHE A1990 0.287 -5.136 -2.873 1.00 0.40 N ATOM 1602 CA PHE A1990 1.063 -3.951 -3.110 1.00 0.40 C ATOM 1603 C PHE A1990 2.495 -4.339 -3.346 1.00 0.40 C ATOM 1604 O PHE A1990 3.206 -4.759 -2.420 1.00 0.51 O ATOM 1605 CB PHE A1990 0.942 -2.976 -1.933 1.00 0.49 C ATOM 1606 CG PHE A1990 -0.472 -2.568 -1.676 1.00 0.84 C ATOM 1607 CD1 PHE A1990 -1.022 -1.487 -2.332 1.00 1.31 C ATOM 1608 CD2 PHE A1990 -1.239 -3.244 -0.756 1.00 1.45 C ATOM 1609 CE1 PHE A1990 -2.310 -1.096 -2.073 1.00 2.02 C ATOM 1610 CE2 PHE A1990 -2.529 -2.851 -0.491 1.00 2.10 C ATOM 1611 CZ PHE A1990 -3.107 -1.852 -1.254 1.00 2.31 C ATOM 0 H PHE A1990 0.496 -5.609 -1.994 1.00 0.40 H new ATOM 0 HA PHE A1990 0.682 -3.441 -3.995 1.00 0.40 H new ATOM 0 HB2 PHE A1990 1.352 -3.440 -1.036 1.00 0.49 H new ATOM 0 HB3 PHE A1990 1.542 -2.089 -2.136 1.00 0.49 H new ATOM 0 HD1 PHE A1990 -0.433 -0.944 -3.056 1.00 1.31 H new ATOM 0 HD2 PHE A1990 -0.823 -4.094 -0.236 1.00 1.45 H new ATOM 0 HE1 PHE A1990 -2.697 -0.190 -2.515 1.00 2.02 H new ATOM 0 HE2 PHE A1990 -3.087 -3.318 0.307 1.00 2.10 H new ATOM 0 HZ PHE A1990 -4.171 -1.671 -1.205 1.00 2.31 H new ATOM 1621 N SER A1991 2.896 -4.265 -4.575 1.00 0.35 N ATOM 1622 CA SER A1991 4.224 -4.603 -4.944 1.00 0.36 C ATOM 1623 C SER A1991 5.082 -3.367 -5.036 1.00 0.40 C ATOM 1624 O SER A1991 4.904 -2.521 -5.915 1.00 0.55 O ATOM 1625 CB SER A1991 4.223 -5.358 -6.260 1.00 0.36 C ATOM 1626 OG SER A1991 3.450 -6.552 -6.145 1.00 1.09 O ATOM 0 H SER A1991 2.305 -3.966 -5.351 1.00 0.35 H new ATOM 0 HA SER A1991 4.647 -5.248 -4.174 1.00 0.36 H new ATOM 0 HB2 SER A1991 3.814 -4.727 -7.049 1.00 0.36 H new ATOM 0 HB3 SER A1991 5.245 -5.605 -6.546 1.00 0.36 H new ATOM 0 HG SER A1991 3.322 -6.946 -7.033 1.00 1.09 H new ATOM 1632 N PHE A1992 5.977 -3.244 -4.120 1.00 0.36 N ATOM 1633 CA PHE A1992 6.891 -2.166 -4.111 1.00 0.37 C ATOM 1634 C PHE A1992 8.152 -2.634 -4.759 1.00 0.39 C ATOM 1635 O PHE A1992 8.892 -3.448 -4.219 1.00 0.40 O ATOM 1636 CB PHE A1992 7.142 -1.657 -2.697 1.00 0.40 C ATOM 1637 CG PHE A1992 5.916 -1.108 -2.046 1.00 0.48 C ATOM 1638 CD1 PHE A1992 5.449 0.148 -2.387 1.00 0.56 C ATOM 1639 CD2 PHE A1992 5.222 -1.844 -1.111 1.00 0.58 C ATOM 1640 CE1 PHE A1992 4.314 0.658 -1.802 1.00 0.68 C ATOM 1641 CE2 PHE A1992 4.087 -1.340 -0.525 1.00 0.71 C ATOM 1642 CZ PHE A1992 3.631 -0.088 -0.869 1.00 0.74 C ATOM 0 H PHE A1992 6.093 -3.900 -3.347 1.00 0.36 H new ATOM 0 HA PHE A1992 6.479 -1.323 -4.665 1.00 0.37 H new ATOM 0 HB2 PHE A1992 7.535 -2.471 -2.089 1.00 0.40 H new ATOM 0 HB3 PHE A1992 7.908 -0.882 -2.727 1.00 0.40 H new ATOM 0 HD1 PHE A1992 5.982 0.735 -3.121 1.00 0.56 H new ATOM 0 HD2 PHE A1992 5.574 -2.827 -0.836 1.00 0.58 H new ATOM 0 HE1 PHE A1992 3.960 1.641 -2.074 1.00 0.68 H new ATOM 0 HE2 PHE A1992 3.552 -1.927 0.207 1.00 0.71 H new ATOM 0 HZ PHE A1992 2.739 0.308 -0.408 1.00 0.74 H new ATOM 1652 N VAL A1993 8.373 -2.161 -5.911 1.00 0.44 N ATOM 1653 CA VAL A1993 9.490 -2.563 -6.686 1.00 0.51 C ATOM 1654 C VAL A1993 10.467 -1.393 -6.776 1.00 0.53 C ATOM 1655 O VAL A1993 10.081 -0.249 -6.519 1.00 0.58 O ATOM 1656 CB VAL A1993 9.008 -3.111 -8.073 1.00 0.59 C ATOM 1657 CG1 VAL A1993 8.129 -2.121 -8.786 1.00 0.76 C ATOM 1658 CG2 VAL A1993 10.154 -3.579 -8.964 1.00 0.91 C ATOM 0 H VAL A1993 7.777 -1.468 -6.363 1.00 0.44 H new ATOM 0 HA VAL A1993 10.027 -3.388 -6.218 1.00 0.51 H new ATOM 0 HB VAL A1993 8.410 -3.995 -7.854 1.00 0.59 H new ATOM 0 HG11 VAL A1993 7.815 -2.537 -9.743 1.00 0.76 H new ATOM 0 HG12 VAL A1993 7.250 -1.909 -8.177 1.00 0.76 H new ATOM 0 HG13 VAL A1993 8.684 -1.198 -8.956 1.00 0.76 H new ATOM 0 HG21 VAL A1993 9.754 -3.947 -9.909 1.00 0.91 H new ATOM 0 HG22 VAL A1993 10.829 -2.745 -9.156 1.00 0.91 H new ATOM 0 HG23 VAL A1993 10.699 -4.380 -8.465 1.00 0.91 H new ATOM 1668 N CYS A1994 11.709 -1.695 -7.080 1.00 0.59 N ATOM 1669 CA CYS A1994 12.815 -0.757 -7.115 1.00 0.67 C ATOM 1670 C CYS A1994 12.475 0.532 -7.867 1.00 0.65 C ATOM 1671 O CYS A1994 11.751 0.519 -8.877 1.00 0.84 O ATOM 1672 CB CYS A1994 14.023 -1.427 -7.753 1.00 0.88 C ATOM 1673 SG CYS A1994 14.672 -2.957 -6.947 1.00 1.47 S ATOM 0 H CYS A1994 11.992 -2.645 -7.321 1.00 0.59 H new ATOM 0 HA CYS A1994 13.036 -0.473 -6.086 1.00 0.67 H new ATOM 0 HB2 CYS A1994 13.767 -1.672 -8.784 1.00 0.88 H new ATOM 0 HB3 CYS A1994 14.832 -0.697 -7.791 1.00 0.88 H new ATOM 1678 N LYS A1995 13.011 1.624 -7.368 1.00 0.77 N ATOM 1679 CA LYS A1995 12.713 2.958 -7.836 1.00 0.93 C ATOM 1680 C LYS A1995 13.098 3.154 -9.276 1.00 1.05 C ATOM 1681 O LYS A1995 14.250 3.012 -9.655 1.00 1.39 O ATOM 1682 CB LYS A1995 13.428 3.983 -6.932 1.00 1.37 C ATOM 1683 CG LYS A1995 13.114 5.483 -7.140 1.00 1.79 C ATOM 1684 CD LYS A1995 13.796 6.100 -8.355 1.00 2.03 C ATOM 1685 CE LYS A1995 13.562 7.602 -8.403 1.00 2.56 C ATOM 1686 NZ LYS A1995 14.202 8.249 -9.561 1.00 3.14 N ATOM 0 H LYS A1995 13.686 1.607 -6.603 1.00 0.77 H new ATOM 0 HA LYS A1995 11.635 3.108 -7.780 1.00 0.93 H new ATOM 0 HB2 LYS A1995 13.195 3.734 -5.897 1.00 1.37 H new ATOM 0 HB3 LYS A1995 14.502 3.847 -7.058 1.00 1.37 H new ATOM 0 HG2 LYS A1995 12.036 5.607 -7.240 1.00 1.79 H new ATOM 0 HG3 LYS A1995 13.416 6.033 -6.249 1.00 1.79 H new ATOM 0 HD2 LYS A1995 14.866 5.895 -8.320 1.00 2.03 H new ATOM 0 HD3 LYS A1995 13.413 5.639 -9.265 1.00 2.03 H new ATOM 0 HE2 LYS A1995 12.490 7.796 -8.432 1.00 2.56 H new ATOM 0 HE3 LYS A1995 13.942 8.053 -7.486 1.00 2.56 H new ATOM 0 HZ1 LYS A1995 14.007 9.270 -9.539 1.00 3.14 H new ATOM 0 HZ2 LYS A1995 15.229 8.091 -9.523 1.00 3.14 H new ATOM 0 HZ3 LYS A1995 13.822 7.843 -10.440 1.00 3.14 H new ATOM 1700 N SER A1996 12.105 3.422 -10.065 1.00 1.31 N ATOM 1701 CA SER A1996 12.289 3.816 -11.425 1.00 1.68 C ATOM 1702 C SER A1996 11.582 5.155 -11.658 1.00 1.67 C ATOM 1703 O SER A1996 11.877 5.859 -12.612 1.00 2.05 O ATOM 1704 CB SER A1996 11.735 2.754 -12.354 1.00 2.15 C ATOM 1705 OG SER A1996 12.258 1.475 -12.021 1.00 2.57 O ATOM 0 H SER A1996 11.128 3.372 -9.777 1.00 1.31 H new ATOM 0 HA SER A1996 13.353 3.930 -11.634 1.00 1.68 H new ATOM 0 HB2 SER A1996 10.647 2.737 -12.287 1.00 2.15 H new ATOM 0 HB3 SER A1996 11.987 2.998 -13.386 1.00 2.15 H new ATOM 0 HG SER A1996 11.520 0.846 -11.879 1.00 2.57 H new ATOM 1711 N ASP A1997 10.659 5.524 -10.752 1.00 1.56 N ATOM 1712 CA ASP A1997 9.917 6.773 -10.889 1.00 1.73 C ATOM 1713 C ASP A1997 9.906 7.493 -9.563 1.00 1.59 C ATOM 1714 O ASP A1997 10.778 8.310 -9.308 1.00 2.04 O ATOM 1715 CB ASP A1997 8.467 6.554 -11.378 1.00 1.99 C ATOM 1716 CG ASP A1997 8.370 5.874 -12.721 1.00 2.32 C ATOM 1717 OD1 ASP A1997 8.587 6.555 -13.755 1.00 2.65 O ATOM 1718 OD2 ASP A1997 8.074 4.661 -12.772 1.00 2.80 O ATOM 0 H ASP A1997 10.416 4.975 -9.927 1.00 1.56 H new ATOM 0 HA ASP A1997 10.421 7.373 -11.646 1.00 1.73 H new ATOM 0 HB2 ASP A1997 7.932 5.957 -10.640 1.00 1.99 H new ATOM 0 HB3 ASP A1997 7.963 7.519 -11.433 1.00 1.99 H new ATOM 1723 N ALA A1998 8.923 7.146 -8.708 1.00 1.32 N ATOM 1724 CA ALA A1998 8.745 7.654 -7.344 1.00 1.24 C ATOM 1725 C ALA A1998 8.318 9.104 -7.330 1.00 1.57 C ATOM 1726 O ALA A1998 7.246 9.447 -6.813 1.00 1.87 O ATOM 1727 CB ALA A1998 9.964 7.397 -6.483 1.00 1.44 C ATOM 0 H ALA A1998 8.202 6.473 -8.967 1.00 1.32 H new ATOM 0 HA ALA A1998 7.926 7.091 -6.896 1.00 1.24 H new ATOM 0 HB1 ALA A1998 9.791 7.789 -5.481 1.00 1.44 H new ATOM 0 HB2 ALA A1998 10.150 6.324 -6.426 1.00 1.44 H new ATOM 0 HB3 ALA A1998 10.830 7.893 -6.921 1.00 1.44 H new ATOM 1733 N GLY A1999 9.118 9.924 -7.928 1.00 2.05 N ATOM 1734 CA GLY A1999 8.851 11.298 -8.022 1.00 2.88 C ATOM 1735 C GLY A1999 8.938 11.977 -6.684 1.00 2.81 C ATOM 1736 O GLY A1999 9.948 11.881 -5.985 1.00 3.07 O ATOM 0 H GLY A1999 9.992 9.638 -8.371 1.00 2.05 H new ATOM 0 HA2 GLY A1999 9.559 11.759 -8.710 1.00 2.88 H new ATOM 0 HA3 GLY A1999 7.856 11.447 -8.441 1.00 2.88 H new ATOM 1740 N ASP A2000 7.879 12.631 -6.332 1.00 2.90 N ATOM 1741 CA ASP A2000 7.763 13.323 -5.068 1.00 3.13 C ATOM 1742 C ASP A2000 6.382 13.095 -4.466 1.00 2.60 C ATOM 1743 O ASP A2000 6.236 12.933 -3.248 1.00 2.99 O ATOM 1744 CB ASP A2000 8.029 14.822 -5.245 1.00 3.84 C ATOM 1745 CG ASP A2000 7.829 15.600 -3.965 1.00 3.99 C ATOM 1746 OD1 ASP A2000 8.591 15.382 -2.993 1.00 4.30 O ATOM 1747 OD2 ASP A2000 6.925 16.465 -3.910 1.00 4.11 O ATOM 0 H ASP A2000 7.048 12.707 -6.919 1.00 2.90 H new ATOM 0 HA ASP A2000 8.512 12.922 -4.385 1.00 3.13 H new ATOM 0 HB2 ASP A2000 9.050 14.967 -5.599 1.00 3.84 H new ATOM 0 HB3 ASP A2000 7.365 15.217 -6.014 1.00 3.84 H new ATOM 1752 N ASP A2001 5.369 13.021 -5.339 1.00 2.08 N ATOM 1753 CA ASP A2001 3.967 12.829 -4.922 1.00 1.96 C ATOM 1754 C ASP A2001 3.782 11.470 -4.299 1.00 1.77 C ATOM 1755 O ASP A2001 2.880 11.273 -3.467 1.00 2.29 O ATOM 1756 CB ASP A2001 2.991 12.973 -6.101 1.00 2.29 C ATOM 1757 CG ASP A2001 3.033 14.328 -6.754 1.00 2.96 C ATOM 1758 OD1 ASP A2001 2.377 15.255 -6.253 1.00 3.24 O ATOM 1759 OD2 ASP A2001 3.730 14.500 -7.769 1.00 3.70 O ATOM 0 H ASP A2001 5.493 13.092 -6.349 1.00 2.08 H new ATOM 0 HA ASP A2001 3.746 13.608 -4.192 1.00 1.96 H new ATOM 0 HB2 ASP A2001 3.220 12.212 -6.847 1.00 2.29 H new ATOM 0 HB3 ASP A2001 1.978 12.779 -5.749 1.00 2.29 H new ATOM 1764 N SER A2002 4.629 10.530 -4.728 1.00 1.56 N ATOM 1765 CA SER A2002 4.680 9.178 -4.198 1.00 1.44 C ATOM 1766 C SER A2002 3.377 8.416 -4.480 1.00 1.26 C ATOM 1767 O SER A2002 2.949 7.586 -3.682 1.00 1.36 O ATOM 1768 CB SER A2002 4.996 9.225 -2.693 1.00 1.64 C ATOM 1769 OG SER A2002 6.206 9.941 -2.461 1.00 1.88 O ATOM 0 H SER A2002 5.310 10.698 -5.469 1.00 1.56 H new ATOM 0 HA SER A2002 5.477 8.632 -4.703 1.00 1.44 H new ATOM 0 HB2 SER A2002 4.175 9.702 -2.157 1.00 1.64 H new ATOM 0 HB3 SER A2002 5.085 8.211 -2.302 1.00 1.64 H new ATOM 0 HG SER A2002 6.072 10.888 -2.674 1.00 1.88 H new ATOM 1775 N GLN A2003 2.805 8.644 -5.655 1.00 1.23 N ATOM 1776 CA GLN A2003 1.542 8.014 -6.002 1.00 1.09 C ATOM 1777 C GLN A2003 1.740 6.601 -6.583 1.00 0.88 C ATOM 1778 O GLN A2003 2.421 6.422 -7.597 1.00 1.00 O ATOM 1779 CB GLN A2003 0.700 8.882 -6.949 1.00 1.33 C ATOM 1780 CG GLN A2003 1.373 9.220 -8.274 1.00 1.53 C ATOM 1781 CD GLN A2003 0.411 9.836 -9.267 1.00 1.86 C ATOM 1782 OE1 GLN A2003 0.240 11.060 -9.328 1.00 2.51 O ATOM 1783 NE2 GLN A2003 -0.216 9.003 -10.062 1.00 1.74 N ATOM 0 H GLN A2003 3.192 9.254 -6.375 1.00 1.23 H new ATOM 0 HA GLN A2003 0.987 7.913 -5.069 1.00 1.09 H new ATOM 0 HB2 GLN A2003 -0.238 8.366 -7.155 1.00 1.33 H new ATOM 0 HB3 GLN A2003 0.447 9.811 -6.439 1.00 1.33 H new ATOM 0 HG2 GLN A2003 2.197 9.910 -8.094 1.00 1.53 H new ATOM 0 HG3 GLN A2003 1.803 8.314 -8.702 1.00 1.53 H new ATOM 0 HE21 GLN A2003 -0.050 8.000 -9.983 1.00 1.74 H new ATOM 0 HE22 GLN A2003 -0.870 9.358 -10.760 1.00 1.74 H new ATOM 1792 N PRO A2004 1.130 5.592 -5.955 1.00 0.72 N ATOM 1793 CA PRO A2004 1.230 4.192 -6.385 1.00 0.61 C ATOM 1794 C PRO A2004 0.538 3.962 -7.724 1.00 0.60 C ATOM 1795 O PRO A2004 -0.421 4.666 -8.072 1.00 0.74 O ATOM 1796 CB PRO A2004 0.483 3.422 -5.279 1.00 0.66 C ATOM 1797 CG PRO A2004 0.375 4.386 -4.153 1.00 0.77 C ATOM 1798 CD PRO A2004 0.283 5.730 -4.774 1.00 0.83 C ATOM 0 HA PRO A2004 2.266 3.880 -6.521 1.00 0.61 H new ATOM 0 HB2 PRO A2004 -0.501 3.098 -5.618 1.00 0.66 H new ATOM 0 HB3 PRO A2004 1.029 2.527 -4.982 1.00 0.66 H new ATOM 0 HG2 PRO A2004 -0.504 4.177 -3.543 1.00 0.77 H new ATOM 0 HG3 PRO A2004 1.242 4.318 -3.496 1.00 0.77 H new ATOM 0 HD2 PRO A2004 -0.743 5.985 -5.038 1.00 0.83 H new ATOM 0 HD3 PRO A2004 0.644 6.511 -4.105 1.00 0.83 H new ATOM 1806 N VAL A2005 1.015 3.009 -8.479 1.00 0.57 N ATOM 1807 CA VAL A2005 0.417 2.688 -9.746 1.00 0.59 C ATOM 1808 C VAL A2005 -0.683 1.675 -9.503 1.00 0.59 C ATOM 1809 O VAL A2005 -0.426 0.564 -9.003 1.00 0.62 O ATOM 1810 CB VAL A2005 1.452 2.111 -10.757 1.00 0.66 C ATOM 1811 CG1 VAL A2005 0.805 1.822 -12.107 1.00 0.73 C ATOM 1812 CG2 VAL A2005 2.635 3.057 -10.922 1.00 0.69 C ATOM 0 H VAL A2005 1.824 2.437 -8.235 1.00 0.57 H new ATOM 0 HA VAL A2005 0.020 3.602 -10.186 1.00 0.59 H new ATOM 0 HB VAL A2005 1.819 1.168 -10.352 1.00 0.66 H new ATOM 0 HG11 VAL A2005 1.553 1.420 -12.791 1.00 0.73 H new ATOM 0 HG12 VAL A2005 0.004 1.095 -11.978 1.00 0.73 H new ATOM 0 HG13 VAL A2005 0.395 2.744 -12.519 1.00 0.73 H new ATOM 0 HG21 VAL A2005 3.344 2.632 -11.633 1.00 0.69 H new ATOM 0 HG22 VAL A2005 2.282 4.020 -11.292 1.00 0.69 H new ATOM 0 HG23 VAL A2005 3.126 3.197 -9.959 1.00 0.69 H new ATOM 1822 N PHE A2006 -1.896 2.071 -9.783 1.00 0.62 N ATOM 1823 CA PHE A2006 -3.019 1.201 -9.627 1.00 0.65 C ATOM 1824 C PHE A2006 -3.257 0.437 -10.913 1.00 0.63 C ATOM 1825 O PHE A2006 -3.556 1.024 -11.968 1.00 0.71 O ATOM 1826 CB PHE A2006 -4.286 1.959 -9.130 1.00 0.76 C ATOM 1827 CG PHE A2006 -4.798 3.089 -10.007 1.00 0.86 C ATOM 1828 CD1 PHE A2006 -4.161 4.323 -10.027 1.00 0.91 C ATOM 1829 CD2 PHE A2006 -5.926 2.917 -10.789 1.00 1.01 C ATOM 1830 CE1 PHE A2006 -4.637 5.354 -10.810 1.00 1.08 C ATOM 1831 CE2 PHE A2006 -6.409 3.946 -11.572 1.00 1.17 C ATOM 1832 CZ PHE A2006 -5.762 5.166 -11.583 1.00 1.21 C ATOM 0 H PHE A2006 -2.128 3.004 -10.124 1.00 0.62 H new ATOM 0 HA PHE A2006 -2.793 0.477 -8.844 1.00 0.65 H new ATOM 0 HB2 PHE A2006 -5.090 1.233 -9.008 1.00 0.76 H new ATOM 0 HB3 PHE A2006 -4.072 2.366 -8.142 1.00 0.76 H new ATOM 0 HD1 PHE A2006 -3.281 4.478 -9.421 1.00 0.91 H new ATOM 0 HD2 PHE A2006 -6.436 1.965 -10.787 1.00 1.01 H new ATOM 0 HE1 PHE A2006 -4.129 6.307 -10.817 1.00 1.08 H new ATOM 0 HE2 PHE A2006 -7.292 3.797 -12.176 1.00 1.17 H new ATOM 0 HZ PHE A2006 -6.137 5.972 -12.197 1.00 1.21 H new ATOM 1842 N LEU A2007 -3.054 -0.852 -10.841 1.00 0.62 N ATOM 1843 CA LEU A2007 -3.229 -1.725 -11.977 1.00 0.71 C ATOM 1844 C LEU A2007 -4.693 -2.027 -12.154 1.00 0.81 C ATOM 1845 O LEU A2007 -5.216 -1.959 -13.263 1.00 0.97 O ATOM 1846 CB LEU A2007 -2.429 -3.042 -11.825 1.00 0.81 C ATOM 1847 CG LEU A2007 -0.885 -2.988 -11.970 1.00 0.85 C ATOM 1848 CD1 LEU A2007 -0.232 -2.082 -10.946 1.00 1.29 C ATOM 1849 CD2 LEU A2007 -0.308 -4.385 -11.865 1.00 1.10 C ATOM 0 H LEU A2007 -2.761 -1.331 -9.989 1.00 0.62 H new ATOM 0 HA LEU A2007 -2.845 -1.212 -12.859 1.00 0.71 H new ATOM 0 HB2 LEU A2007 -2.656 -3.457 -10.843 1.00 0.81 H new ATOM 0 HB3 LEU A2007 -2.808 -3.748 -12.564 1.00 0.81 H new ATOM 0 HG LEU A2007 -0.670 -2.568 -12.952 1.00 0.85 H new ATOM 0 HD11 LEU A2007 0.848 -2.083 -11.095 1.00 1.29 H new ATOM 0 HD12 LEU A2007 -0.613 -1.067 -11.062 1.00 1.29 H new ATOM 0 HD13 LEU A2007 -0.460 -2.443 -9.943 1.00 1.29 H new ATOM 0 HD21 LEU A2007 0.776 -4.340 -11.968 1.00 1.10 H new ATOM 0 HD22 LEU A2007 -0.563 -4.812 -10.895 1.00 1.10 H new ATOM 0 HD23 LEU A2007 -0.722 -5.010 -12.657 1.00 1.10 H new ATOM 1861 N SER A2008 -5.354 -2.343 -11.049 1.00 0.80 N ATOM 1862 CA SER A2008 -6.769 -2.639 -11.060 1.00 0.99 C ATOM 1863 C SER A2008 -7.273 -2.840 -9.646 1.00 0.80 C ATOM 1864 O SER A2008 -6.508 -3.239 -8.751 1.00 0.64 O ATOM 1865 CB SER A2008 -7.055 -3.920 -11.890 1.00 1.31 C ATOM 1866 OG SER A2008 -8.445 -4.211 -11.956 1.00 1.75 O ATOM 0 H SER A2008 -4.922 -2.400 -10.127 1.00 0.80 H new ATOM 0 HA SER A2008 -7.287 -1.795 -11.516 1.00 0.99 H new ATOM 0 HB2 SER A2008 -6.662 -3.794 -12.899 1.00 1.31 H new ATOM 0 HB3 SER A2008 -6.528 -4.765 -11.446 1.00 1.31 H new ATOM 0 HG SER A2008 -8.612 -5.099 -11.577 1.00 1.75 H new ATOM 1872 N PHE A2009 -8.521 -2.513 -9.448 1.00 0.90 N ATOM 1873 CA PHE A2009 -9.232 -2.825 -8.253 1.00 0.77 C ATOM 1874 C PHE A2009 -10.393 -3.669 -8.702 1.00 0.80 C ATOM 1875 O PHE A2009 -11.216 -3.222 -9.501 1.00 0.93 O ATOM 1876 CB PHE A2009 -9.733 -1.560 -7.522 1.00 0.85 C ATOM 1877 CG PHE A2009 -10.498 -1.863 -6.248 1.00 0.77 C ATOM 1878 CD1 PHE A2009 -9.828 -2.073 -5.056 1.00 0.72 C ATOM 1879 CD2 PHE A2009 -11.886 -1.946 -6.252 1.00 1.14 C ATOM 1880 CE1 PHE A2009 -10.520 -2.361 -3.894 1.00 0.81 C ATOM 1881 CE2 PHE A2009 -12.582 -2.232 -5.094 1.00 1.16 C ATOM 1882 CZ PHE A2009 -11.899 -2.441 -3.914 1.00 0.87 C ATOM 0 H PHE A2009 -9.080 -2.009 -10.136 1.00 0.90 H new ATOM 0 HA PHE A2009 -8.589 -3.338 -7.538 1.00 0.77 H new ATOM 0 HB2 PHE A2009 -8.879 -0.926 -7.282 1.00 0.85 H new ATOM 0 HB3 PHE A2009 -10.374 -0.990 -8.195 1.00 0.85 H new ATOM 0 HD1 PHE A2009 -8.750 -2.011 -5.033 1.00 0.72 H new ATOM 0 HD2 PHE A2009 -12.427 -1.785 -7.173 1.00 1.14 H new ATOM 0 HE1 PHE A2009 -9.983 -2.523 -2.971 1.00 0.81 H new ATOM 0 HE2 PHE A2009 -13.660 -2.292 -5.112 1.00 1.16 H new ATOM 0 HZ PHE A2009 -12.441 -2.667 -3.008 1.00 0.87 H new ATOM 1892 N ASP A2010 -10.433 -4.873 -8.250 1.00 0.74 N ATOM 1893 CA ASP A2010 -11.458 -5.788 -8.660 1.00 0.83 C ATOM 1894 C ASP A2010 -12.415 -6.044 -7.547 1.00 0.88 C ATOM 1895 O ASP A2010 -12.013 -6.397 -6.423 1.00 0.97 O ATOM 1896 CB ASP A2010 -10.868 -7.119 -9.165 1.00 0.97 C ATOM 1897 CG ASP A2010 -10.280 -7.044 -10.563 1.00 1.63 C ATOM 1898 OD1 ASP A2010 -9.184 -6.439 -10.725 1.00 2.43 O ATOM 1899 OD2 ASP A2010 -10.890 -7.565 -11.523 1.00 2.01 O ATOM 0 H ASP A2010 -9.761 -5.258 -7.586 1.00 0.74 H new ATOM 0 HA ASP A2010 -11.992 -5.322 -9.488 1.00 0.83 H new ATOM 0 HB2 ASP A2010 -10.092 -7.446 -8.473 1.00 0.97 H new ATOM 0 HB3 ASP A2010 -11.649 -7.879 -9.151 1.00 0.97 H new ATOM 1904 N GLU A2011 -13.693 -5.900 -7.845 1.00 1.03 N ATOM 1905 CA GLU A2011 -14.764 -6.175 -6.884 1.00 1.24 C ATOM 1906 C GLU A2011 -14.919 -7.694 -6.711 1.00 1.30 C ATOM 1907 O GLU A2011 -15.716 -8.164 -5.894 1.00 1.46 O ATOM 1908 CB GLU A2011 -16.083 -5.557 -7.356 1.00 1.52 C ATOM 1909 CG GLU A2011 -16.588 -6.148 -8.650 1.00 1.76 C ATOM 1910 CD GLU A2011 -17.846 -5.518 -9.144 1.00 2.09 C ATOM 1911 OE1 GLU A2011 -18.947 -5.884 -8.659 1.00 2.75 O ATOM 1912 OE2 GLU A2011 -17.776 -4.685 -10.063 1.00 2.23 O ATOM 0 H GLU A2011 -14.026 -5.590 -8.758 1.00 1.03 H new ATOM 0 HA GLU A2011 -14.504 -5.728 -5.925 1.00 1.24 H new ATOM 0 HB2 GLU A2011 -16.838 -5.694 -6.582 1.00 1.52 H new ATOM 0 HB3 GLU A2011 -15.948 -4.483 -7.483 1.00 1.52 H new ATOM 0 HG2 GLU A2011 -15.816 -6.044 -9.413 1.00 1.76 H new ATOM 0 HG3 GLU A2011 -16.757 -7.216 -8.510 1.00 1.76 H new ATOM 1919 N GLN A2012 -14.108 -8.428 -7.498 1.00 1.32 N ATOM 1920 CA GLN A2012 -13.983 -9.890 -7.526 1.00 1.52 C ATOM 1921 C GLN A2012 -14.029 -10.450 -6.129 1.00 1.49 C ATOM 1922 O GLN A2012 -14.730 -11.396 -5.867 1.00 1.71 O ATOM 1923 CB GLN A2012 -12.631 -10.224 -8.166 1.00 1.75 C ATOM 1924 CG GLN A2012 -12.305 -11.699 -8.301 1.00 2.10 C ATOM 1925 CD GLN A2012 -13.303 -12.434 -9.150 1.00 2.62 C ATOM 1926 OE1 GLN A2012 -14.276 -12.987 -8.653 1.00 3.40 O ATOM 1927 NE2 GLN A2012 -13.099 -12.395 -10.425 1.00 2.81 N ATOM 0 H GLN A2012 -13.485 -7.983 -8.172 1.00 1.32 H new ATOM 0 HA GLN A2012 -14.805 -10.326 -8.094 1.00 1.52 H new ATOM 0 HB2 GLN A2012 -12.600 -9.773 -9.158 1.00 1.75 H new ATOM 0 HB3 GLN A2012 -11.846 -9.751 -7.576 1.00 1.75 H new ATOM 0 HG2 GLN A2012 -11.312 -11.810 -8.736 1.00 2.10 H new ATOM 0 HG3 GLN A2012 -12.272 -12.152 -7.310 1.00 2.10 H new ATOM 0 HE21 GLN A2012 -12.274 -11.923 -10.795 1.00 2.81 H new ATOM 0 HE22 GLN A2012 -13.763 -12.836 -11.061 1.00 2.81 H new ATOM 1936 N THR A2013 -13.252 -9.875 -5.262 1.00 1.37 N ATOM 1937 CA THR A2013 -13.309 -10.196 -3.873 1.00 1.47 C ATOM 1938 C THR A2013 -12.823 -8.985 -3.085 1.00 1.37 C ATOM 1939 O THR A2013 -12.554 -9.080 -1.903 1.00 1.57 O ATOM 1940 CB THR A2013 -12.482 -11.492 -3.544 1.00 1.72 C ATOM 1941 OG1 THR A2013 -12.547 -11.811 -2.149 1.00 1.95 O ATOM 1942 CG2 THR A2013 -11.031 -11.364 -3.975 1.00 1.76 C ATOM 0 H THR A2013 -12.558 -9.167 -5.502 1.00 1.37 H new ATOM 0 HA THR A2013 -14.336 -10.422 -3.586 1.00 1.47 H new ATOM 0 HB THR A2013 -12.936 -12.303 -4.113 1.00 1.72 H new ATOM 0 HG1 THR A2013 -12.729 -10.996 -1.635 1.00 1.95 H new ATOM 0 HG21 THR A2013 -10.496 -12.281 -3.729 1.00 1.76 H new ATOM 0 HG22 THR A2013 -10.985 -11.194 -5.051 1.00 1.76 H new ATOM 0 HG23 THR A2013 -10.570 -10.524 -3.455 1.00 1.76 H new ATOM 1950 N CYS A2014 -12.810 -7.828 -3.767 1.00 1.20 N ATOM 1951 CA CYS A2014 -12.299 -6.560 -3.237 1.00 1.22 C ATOM 1952 C CYS A2014 -10.788 -6.635 -3.061 1.00 1.19 C ATOM 1953 O CYS A2014 -10.254 -6.568 -1.955 1.00 1.49 O ATOM 1954 CB CYS A2014 -13.004 -6.134 -1.939 1.00 1.49 C ATOM 1955 SG CYS A2014 -14.816 -5.987 -2.079 1.00 1.65 S ATOM 0 H CYS A2014 -13.162 -7.750 -4.721 1.00 1.20 H new ATOM 0 HA CYS A2014 -12.525 -5.783 -3.967 1.00 1.22 H new ATOM 0 HB2 CYS A2014 -12.770 -6.858 -1.158 1.00 1.49 H new ATOM 0 HB3 CYS A2014 -12.598 -5.175 -1.617 1.00 1.49 H new ATOM 1960 N THR A2015 -10.125 -6.844 -4.157 1.00 1.02 N ATOM 1961 CA THR A2015 -8.702 -6.958 -4.205 1.00 1.04 C ATOM 1962 C THR A2015 -8.138 -5.932 -5.157 1.00 0.96 C ATOM 1963 O THR A2015 -8.746 -5.631 -6.189 1.00 1.08 O ATOM 1964 CB THR A2015 -8.308 -8.370 -4.662 1.00 1.15 C ATOM 1965 OG1 THR A2015 -9.308 -8.866 -5.586 1.00 1.56 O ATOM 1966 CG2 THR A2015 -8.171 -9.312 -3.481 1.00 1.39 C ATOM 0 H THR A2015 -10.573 -6.943 -5.068 1.00 1.02 H new ATOM 0 HA THR A2015 -8.295 -6.780 -3.210 1.00 1.04 H new ATOM 0 HB THR A2015 -7.339 -8.320 -5.158 1.00 1.15 H new ATOM 0 HG1 THR A2015 -9.061 -9.767 -5.883 1.00 1.56 H new ATOM 0 HG21 THR A2015 -7.891 -10.304 -3.837 1.00 1.39 H new ATOM 0 HG22 THR A2015 -7.402 -8.939 -2.805 1.00 1.39 H new ATOM 0 HG23 THR A2015 -9.122 -9.372 -2.951 1.00 1.39 H new ATOM 1974 N SER A2016 -7.022 -5.376 -4.817 1.00 0.87 N ATOM 1975 CA SER A2016 -6.409 -4.416 -5.658 1.00 0.83 C ATOM 1976 C SER A2016 -4.990 -4.841 -6.018 1.00 0.71 C ATOM 1977 O SER A2016 -4.304 -5.504 -5.223 1.00 0.74 O ATOM 1978 CB SER A2016 -6.462 -3.035 -5.000 1.00 0.87 C ATOM 1979 OG SER A2016 -5.984 -3.075 -3.667 1.00 1.36 O ATOM 0 H SER A2016 -6.517 -5.576 -3.954 1.00 0.87 H new ATOM 0 HA SER A2016 -6.961 -4.351 -6.596 1.00 0.83 H new ATOM 0 HB2 SER A2016 -5.865 -2.331 -5.580 1.00 0.87 H new ATOM 0 HB3 SER A2016 -7.488 -2.666 -5.009 1.00 0.87 H new ATOM 0 HG SER A2016 -6.030 -2.178 -3.276 1.00 1.36 H new ATOM 1985 N TYR A2017 -4.597 -4.529 -7.226 1.00 0.64 N ATOM 1986 CA TYR A2017 -3.270 -4.803 -7.711 1.00 0.57 C ATOM 1987 C TYR A2017 -2.535 -3.497 -7.830 1.00 0.49 C ATOM 1988 O TYR A2017 -2.909 -2.636 -8.642 1.00 0.56 O ATOM 1989 CB TYR A2017 -3.302 -5.494 -9.084 1.00 0.71 C ATOM 1990 CG TYR A2017 -3.912 -6.876 -9.091 1.00 0.86 C ATOM 1991 CD1 TYR A2017 -3.185 -7.985 -8.677 1.00 0.92 C ATOM 1992 CD2 TYR A2017 -5.225 -7.065 -9.491 1.00 1.01 C ATOM 1993 CE1 TYR A2017 -3.752 -9.244 -8.671 1.00 1.09 C ATOM 1994 CE2 TYR A2017 -5.799 -8.316 -9.483 1.00 1.18 C ATOM 1995 CZ TYR A2017 -5.002 -9.428 -9.131 1.00 1.20 C ATOM 1996 OH TYR A2017 -5.640 -10.650 -9.059 1.00 1.38 O ATOM 0 H TYR A2017 -5.199 -4.071 -7.910 1.00 0.64 H new ATOM 0 HA TYR A2017 -2.770 -5.474 -7.012 1.00 0.57 H new ATOM 0 HB2 TYR A2017 -3.859 -4.864 -9.778 1.00 0.71 H new ATOM 0 HB3 TYR A2017 -2.282 -5.562 -9.463 1.00 0.71 H new ATOM 0 HD1 TYR A2017 -2.162 -7.861 -8.355 1.00 0.92 H new ATOM 0 HD2 TYR A2017 -5.808 -6.216 -9.815 1.00 1.01 H new ATOM 0 HE1 TYR A2017 -3.189 -10.085 -8.295 1.00 1.09 H new ATOM 0 HE2 TYR A2017 -6.840 -8.445 -9.741 1.00 1.18 H new ATOM 0 HH TYR A2017 -6.538 -10.574 -9.445 1.00 1.38 H new ATOM 2006 N PHE A2018 -1.553 -3.312 -7.005 1.00 0.39 N ATOM 2007 CA PHE A2018 -0.759 -2.118 -7.028 1.00 0.39 C ATOM 2008 C PHE A2018 0.696 -2.443 -7.206 1.00 0.36 C ATOM 2009 O PHE A2018 1.173 -3.512 -6.798 1.00 0.40 O ATOM 2010 CB PHE A2018 -0.953 -1.281 -5.762 1.00 0.47 C ATOM 2011 CG PHE A2018 -2.201 -0.436 -5.727 1.00 0.57 C ATOM 2012 CD1 PHE A2018 -3.465 -1.001 -5.742 1.00 0.74 C ATOM 2013 CD2 PHE A2018 -2.093 0.938 -5.658 1.00 0.74 C ATOM 2014 CE1 PHE A2018 -4.593 -0.208 -5.695 1.00 0.87 C ATOM 2015 CE2 PHE A2018 -3.214 1.734 -5.609 1.00 0.89 C ATOM 2016 CZ PHE A2018 -4.466 1.163 -5.628 1.00 0.87 C ATOM 0 H PHE A2018 -1.276 -3.987 -6.292 1.00 0.39 H new ATOM 0 HA PHE A2018 -1.098 -1.528 -7.880 1.00 0.39 H new ATOM 0 HB2 PHE A2018 -0.965 -1.951 -4.903 1.00 0.47 H new ATOM 0 HB3 PHE A2018 -0.089 -0.627 -5.644 1.00 0.47 H new ATOM 0 HD1 PHE A2018 -3.569 -2.075 -5.791 1.00 0.74 H new ATOM 0 HD2 PHE A2018 -1.115 1.395 -5.642 1.00 0.74 H new ATOM 0 HE1 PHE A2018 -5.574 -0.660 -5.711 1.00 0.87 H new ATOM 0 HE2 PHE A2018 -3.111 2.808 -5.556 1.00 0.89 H new ATOM 0 HZ PHE A2018 -5.347 1.787 -5.591 1.00 0.87 H new ATOM 2026 N SER A2019 1.380 -1.549 -7.828 1.00 0.45 N ATOM 2027 CA SER A2019 2.783 -1.645 -8.038 1.00 0.47 C ATOM 2028 C SER A2019 3.324 -0.243 -7.896 1.00 0.45 C ATOM 2029 O SER A2019 2.660 0.717 -8.289 1.00 0.49 O ATOM 2030 CB SER A2019 3.072 -2.224 -9.436 1.00 0.51 C ATOM 2031 OG SER A2019 4.462 -2.372 -9.678 1.00 1.24 O ATOM 0 H SER A2019 0.966 -0.702 -8.218 1.00 0.45 H new ATOM 0 HA SER A2019 3.258 -2.314 -7.320 1.00 0.47 H new ATOM 0 HB2 SER A2019 2.583 -3.193 -9.534 1.00 0.51 H new ATOM 0 HB3 SER A2019 2.640 -1.571 -10.194 1.00 0.51 H new ATOM 0 HG SER A2019 4.600 -2.743 -10.574 1.00 1.24 H new ATOM 2037 N TRP A2020 4.452 -0.099 -7.279 1.00 0.52 N ATOM 2038 CA TRP A2020 5.015 1.197 -7.093 1.00 0.57 C ATOM 2039 C TRP A2020 6.528 1.103 -7.110 1.00 0.49 C ATOM 2040 O TRP A2020 7.121 0.399 -6.295 1.00 0.43 O ATOM 2041 CB TRP A2020 4.497 1.795 -5.764 1.00 0.69 C ATOM 2042 CG TRP A2020 4.775 3.268 -5.548 1.00 0.88 C ATOM 2043 CD1 TRP A2020 4.821 3.909 -4.346 1.00 0.81 C ATOM 2044 CD2 TRP A2020 5.030 4.284 -6.547 1.00 1.75 C ATOM 2045 NE1 TRP A2020 5.072 5.245 -4.531 1.00 1.00 N ATOM 2046 CE2 TRP A2020 5.216 5.495 -5.867 1.00 1.65 C ATOM 2047 CE3 TRP A2020 5.121 4.288 -7.943 1.00 2.75 C ATOM 2048 CZ2 TRP A2020 5.484 6.683 -6.529 1.00 2.41 C ATOM 2049 CZ3 TRP A2020 5.388 5.470 -8.589 1.00 3.55 C ATOM 2050 CH2 TRP A2020 5.567 6.649 -7.886 1.00 3.35 C ATOM 0 H TRP A2020 5.003 -0.867 -6.894 1.00 0.52 H new ATOM 0 HA TRP A2020 4.712 1.858 -7.905 1.00 0.57 H new ATOM 0 HB2 TRP A2020 3.420 1.637 -5.713 1.00 0.69 H new ATOM 0 HB3 TRP A2020 4.941 1.237 -4.940 1.00 0.69 H new ATOM 0 HD1 TRP A2020 4.680 3.434 -3.386 1.00 0.81 H new ATOM 0 HE1 TRP A2020 5.140 5.942 -3.789 1.00 1.00 H new ATOM 0 HE3 TRP A2020 4.983 3.375 -8.504 1.00 2.75 H new ATOM 0 HZ2 TRP A2020 5.622 7.606 -5.985 1.00 2.41 H new ATOM 0 HZ3 TRP A2020 5.460 5.480 -9.667 1.00 3.55 H new ATOM 0 HH2 TRP A2020 5.777 7.560 -8.426 1.00 3.35 H new ATOM 2061 N HIS A2021 7.145 1.759 -8.080 1.00 0.61 N ATOM 2062 CA HIS A2021 8.594 1.813 -8.166 1.00 0.66 C ATOM 2063 C HIS A2021 9.097 2.916 -7.248 1.00 0.64 C ATOM 2064 O HIS A2021 9.134 4.091 -7.639 1.00 0.81 O ATOM 2065 CB HIS A2021 9.092 2.064 -9.609 1.00 0.86 C ATOM 2066 CG HIS A2021 8.894 0.930 -10.587 1.00 0.93 C ATOM 2067 ND1 HIS A2021 9.898 0.045 -10.922 1.00 1.53 N ATOM 2068 CD2 HIS A2021 7.824 0.572 -11.338 1.00 1.33 C ATOM 2069 CE1 HIS A2021 9.459 -0.796 -11.829 1.00 1.61 C ATOM 2070 NE2 HIS A2021 8.206 -0.503 -12.099 1.00 1.43 N ATOM 0 H HIS A2021 6.661 2.264 -8.822 1.00 0.61 H new ATOM 0 HA HIS A2021 8.987 0.844 -7.858 1.00 0.66 H new ATOM 0 HB2 HIS A2021 8.584 2.946 -9.999 1.00 0.86 H new ATOM 0 HB3 HIS A2021 10.155 2.301 -9.569 1.00 0.86 H new ATOM 0 HD1 HIS A2021 10.838 0.044 -10.525 1.00 1.53 H new ATOM 0 HD2 HIS A2021 6.853 1.045 -11.337 1.00 1.33 H new ATOM 0 HE1 HIS A2021 10.031 -1.595 -12.278 1.00 1.61 H new ATOM 2079 N THR A2022 9.496 2.545 -6.059 1.00 0.51 N ATOM 2080 CA THR A2022 9.853 3.497 -5.038 1.00 0.50 C ATOM 2081 C THR A2022 11.236 3.182 -4.440 1.00 0.48 C ATOM 2082 O THR A2022 11.692 2.032 -4.457 1.00 0.50 O ATOM 2083 CB THR A2022 8.744 3.613 -3.935 1.00 0.53 C ATOM 2084 OG1 THR A2022 9.087 4.619 -2.969 1.00 0.63 O ATOM 2085 CG2 THR A2022 8.509 2.287 -3.226 1.00 0.56 C ATOM 0 H THR A2022 9.583 1.571 -5.770 1.00 0.51 H new ATOM 0 HA THR A2022 9.923 4.476 -5.512 1.00 0.50 H new ATOM 0 HB THR A2022 7.822 3.898 -4.442 1.00 0.53 H new ATOM 0 HG1 THR A2022 8.845 4.307 -2.072 1.00 0.63 H new ATOM 0 HG21 THR A2022 7.734 2.411 -2.470 1.00 0.56 H new ATOM 0 HG22 THR A2022 8.192 1.538 -3.951 1.00 0.56 H new ATOM 0 HG23 THR A2022 9.433 1.961 -2.748 1.00 0.56 H new ATOM 2093 N SER A2023 11.899 4.220 -3.967 1.00 0.55 N ATOM 2094 CA SER A2023 13.262 4.169 -3.462 1.00 0.60 C ATOM 2095 C SER A2023 13.423 3.227 -2.259 1.00 0.59 C ATOM 2096 O SER A2023 14.462 2.595 -2.093 1.00 0.75 O ATOM 2097 CB SER A2023 13.655 5.588 -3.072 1.00 0.85 C ATOM 2098 OG SER A2023 13.266 6.494 -4.104 1.00 1.21 O ATOM 0 H SER A2023 11.492 5.154 -3.921 1.00 0.55 H new ATOM 0 HA SER A2023 13.910 3.770 -4.243 1.00 0.60 H new ATOM 0 HB2 SER A2023 13.176 5.864 -2.133 1.00 0.85 H new ATOM 0 HB3 SER A2023 14.731 5.646 -2.910 1.00 0.85 H new ATOM 0 HG SER A2023 13.518 7.406 -3.850 1.00 1.21 H new ATOM 2104 N LEU A2024 12.386 3.108 -1.457 1.00 0.61 N ATOM 2105 CA LEU A2024 12.459 2.322 -0.224 1.00 0.74 C ATOM 2106 C LEU A2024 11.971 0.897 -0.443 1.00 0.76 C ATOM 2107 O LEU A2024 11.806 0.139 0.504 1.00 0.93 O ATOM 2108 CB LEU A2024 11.653 2.992 0.922 1.00 0.91 C ATOM 2109 CG LEU A2024 12.137 4.366 1.447 1.00 0.78 C ATOM 2110 CD1 LEU A2024 13.596 4.317 1.870 1.00 1.53 C ATOM 2111 CD2 LEU A2024 11.883 5.487 0.442 1.00 1.11 C ATOM 0 H LEU A2024 11.479 3.542 -1.629 1.00 0.61 H new ATOM 0 HA LEU A2024 13.508 2.284 0.069 1.00 0.74 H new ATOM 0 HB2 LEU A2024 10.624 3.109 0.582 1.00 0.91 H new ATOM 0 HB3 LEU A2024 11.634 2.301 1.765 1.00 0.91 H new ATOM 0 HG LEU A2024 11.544 4.594 2.333 1.00 0.78 H new ATOM 0 HD11 LEU A2024 13.903 5.298 2.233 1.00 1.53 H new ATOM 0 HD12 LEU A2024 13.720 3.581 2.664 1.00 1.53 H new ATOM 0 HD13 LEU A2024 14.213 4.037 1.016 1.00 1.53 H new ATOM 0 HD21 LEU A2024 12.239 6.432 0.853 1.00 1.11 H new ATOM 0 HD22 LEU A2024 12.414 5.272 -0.485 1.00 1.11 H new ATOM 0 HD23 LEU A2024 10.814 5.559 0.239 1.00 1.11 H new ATOM 2123 N ALA A2025 11.749 0.545 -1.687 1.00 0.66 N ATOM 2124 CA ALA A2025 11.263 -0.773 -2.023 1.00 0.72 C ATOM 2125 C ALA A2025 12.415 -1.750 -2.148 1.00 0.85 C ATOM 2126 O ALA A2025 12.568 -2.643 -1.345 1.00 1.20 O ATOM 2127 CB ALA A2025 10.486 -0.715 -3.299 1.00 0.64 C ATOM 0 H ALA A2025 11.898 1.158 -2.489 1.00 0.66 H new ATOM 0 HA ALA A2025 10.608 -1.121 -1.224 1.00 0.72 H new ATOM 0 HB1 ALA A2025 10.121 -1.711 -3.549 1.00 0.64 H new ATOM 0 HB2 ALA A2025 9.640 -0.038 -3.179 1.00 0.64 H new ATOM 0 HB3 ALA A2025 11.130 -0.353 -4.101 1.00 0.64 H new ATOM 2133 N CYS A2026 13.199 -1.583 -3.174 1.00 0.90 N ATOM 2134 CA CYS A2026 14.380 -2.362 -3.358 1.00 1.05 C ATOM 2135 C CYS A2026 15.401 -1.519 -4.080 1.00 1.23 C ATOM 2136 O CYS A2026 15.045 -0.485 -4.678 1.00 1.55 O ATOM 2137 CB CYS A2026 14.106 -3.722 -4.045 1.00 1.61 C ATOM 2138 SG CYS A2026 13.256 -3.631 -5.651 1.00 2.15 S ATOM 0 H CYS A2026 13.032 -0.896 -3.909 1.00 0.90 H new ATOM 0 HA CYS A2026 14.782 -2.640 -2.384 1.00 1.05 H new ATOM 0 HB2 CYS A2026 15.057 -4.236 -4.185 1.00 1.61 H new ATOM 0 HB3 CYS A2026 13.508 -4.336 -3.371 1.00 1.61 H new