USER MOD reduce.3.24.130724 H: found=0, std=0, add=1556, rem=0, adj=60 USER MOD reduce.3.24.130724 removed 1562 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 15 THR OG1 : rot 80:sc= 0.251 USER MOD Set 1.2: B 18 LYS NZ :NH3+ -173:sc= 1.25 (180deg=1.17) USER MOD Set 2.1: A 12 MET CE :methyl 165:sc= -0.549 (180deg=-0.0447) USER MOD Set 2.2: A 80 SER OG : rot -133:sc= 0.184 USER MOD Set 2.3: B 12 MET CE :methyl 177:sc= -2.18 (180deg=-1.8) USER MOD Set 2.4: B 80 SER OG : rot -147:sc= -1.54! USER MOD Set 3.1: A 87 ASN : amide:sc= 0.382 K(o=0.63,f=-1.4) USER MOD Set 3.2: B 17 HIS : no HD1:sc= 0.252 K(o=0.63,f=-3) USER MOD Set 4.1: A 81 CYS SG : rot 92:sc= -4.8! USER MOD Set 4.2: A 84 MET CE :methyl -168:sc= -3.71! (180deg=-4.48!) USER MOD Set 4.3: C1910 MET CE :methyl -178:sc= -3.93! (180deg=-4!) USER MOD Set 5.1: A 64 SER OG : rot -29:sc= 1.26 USER MOD Set 5.2: C1911 ASN :FLIP amide:sc= -0.0912 F(o=-0.92!,f=1.2) USER MOD Set 6.1: A 57 LYS NZ :NH3+ -149:sc= 1.27 (180deg=0) USER MOD Set 6.2: A 61 ASN : amide:sc= 0.768 K(o=2,f=-9.9!) USER MOD Set 7.1: A 15 THR OG1 : rot 80:sc= -0.5! USER MOD Set 7.2: A 18 LYS NZ :NH3+ -170:sc= 1.24 (180deg=1.14) USER MOD Single : A 3 CYS SG : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ 178:sc= 1.15 (180deg=0.882) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 17 HIS : no HD1:sc= -0.368 X(o=-0.37,f=-0.09) USER MOD Single : A 19 TYR OH : rot -165:sc= 1.23 USER MOD Single : A 20 SER OG : rot -96:sc= 1.08 USER MOD Single : A 28 LYS NZ :NH3+ -156:sc= 1.1 (180deg=0.827) USER MOD Single : A 30 ASN : amide:sc= -1.98! C(o=-2!,f=-2.5!) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot 180:sc= 0.00153 USER MOD Single : A 35 LYS NZ :NH3+ 157:sc= 1.29 (180deg=1.26) USER MOD Single : A 39 THR OG1 : rot -8:sc= -0.11 USER MOD Single : A 44 SER OG : rot 136:sc= 0.957 USER MOD Single : A 48 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.0162) USER MOD Single : A 50 THR OG1 : rot 94:sc= -3.14! USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 MET CE :methyl 170:sc= -2.67! (180deg=-3.22!) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 65 ASN : amide:sc= -0.281 X(o=-0.28,f=-0.056) USER MOD Single : A 68 ASN : amide:sc= -0.353 X(o=-0.35,f=-0.066) USER MOD Single : A 73 GLN :FLIP amide:sc= -0.215 F(o=-1.7,f=-0.21) USER MOD Single : A 75 TYR OH : rot 30:sc= -1.87! USER MOD Single : A 76 CYS SG : rot -9:sc= -4.42! USER MOD Single : A 85 MET CE :methyl -167:sc= -6.93! (180deg=-7.94!) USER MOD Single : A 86 CYS SG : rot -28:sc= 0.0416 USER MOD Single : B 3 CYS SG : rot 180:sc= 0 USER MOD Single : B 7 LYS NZ :NH3+ 173:sc= 1.07 (180deg=1.03) USER MOD Single : B 14 SER OG : rot 180:sc= 0 USER MOD Single : B 19 TYR OH : rot -161:sc= 1.21 USER MOD Single : B 20 SER OG : rot -141:sc= 1.21 USER MOD Single : B 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 30 ASN : amide:sc= -1.97! C(o=-2!,f=-2.6!) USER MOD Single : B 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 32 SER OG : rot 180:sc= 0 USER MOD Single : B 35 LYS NZ :NH3+ 161:sc= 1.23 (180deg=1.12) USER MOD Single : B 39 THR OG1 : rot -9:sc= 0.0333 USER MOD Single : B 44 SER OG : rot 123:sc= 1.28 USER MOD Single : B 48 LYS NZ :NH3+ 163:sc= -0.059 (180deg=-0.318) USER MOD Single : B 50 THR OG1 : rot 49:sc= -0.749 USER MOD Single : B 56 GLN : amide:sc= 0.725 K(o=0.73,f=-0.59) USER MOD Single : B 57 LYS NZ :NH3+ -165:sc= -0.0506 (180deg=-0.308) USER MOD Single : B 59 MET CE :methyl 173:sc= -2.36 (180deg=-2.42) USER MOD Single : B 60 SER OG : rot 180:sc= 0 USER MOD Single : B 61 ASN :FLIP amide:sc= -4.03! C(o=-5.4!,f=-4!) USER MOD Single : B 64 SER OG : rot 180:sc= 0 USER MOD Single : B 65 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 68 ASN : amide:sc= 0 K(o=0,f=-1.7) USER MOD Single : B 73 GLN : amide:sc= 0.807 K(o=0.81,f=-0.48) USER MOD Single : B 75 TYR OH : rot 90:sc= -0.844 USER MOD Single : B 76 CYS SG : rot 66:sc= 0.0219 USER MOD Single : B 81 CYS SG : rot -60:sc= -12.2! USER MOD Single : B 84 MET CE :methyl 158:sc= -7.98! (180deg=-12.2!) USER MOD Single : B 85 MET CE :methyl -147:sc=-0.000341 (180deg=-0.852) USER MOD Single : B 86 CYS SG : rot -14:sc= -4.47! USER MOD Single : B 87 ASN : amide:sc= 0 X(o=0,f=-0.44) USER MOD Single : C1904 THR OG1 : rot -13:sc= 1.07 USER MOD Single : C1906 THR OG1 : rot 77:sc= 1.24 USER MOD Single : C1915 SER OG : rot 180:sc= 0 USER MOD Single : C1916 SER OG : rot 180:sc= 0 USER MOD Single : C1918 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C1919 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : C1920 LYS NZ :NH3+ -143:sc= -0.513 (180deg=-4.17!) USER MOD ----------------------------------------------------------------- ATOM 44 N GLU C1899 -14.671 -8.664 1.776 1.00 0.40 N ATOM 45 CA GLU C1899 -13.256 -8.953 1.942 1.00 0.29 C ATOM 46 C GLU C1899 -12.597 -7.879 2.780 1.00 0.24 C ATOM 47 O GLU C1899 -11.688 -8.150 3.558 1.00 0.27 O ATOM 48 CB GLU C1899 -12.587 -8.998 0.575 1.00 0.30 C ATOM 49 CG GLU C1899 -13.093 -7.900 -0.344 1.00 0.35 C ATOM 50 CD GLU C1899 -14.184 -8.394 -1.264 1.00 0.62 C ATOM 51 OE1 GLU C1899 -15.364 -8.378 -0.869 1.00 0.97 O ATOM 52 OE2 GLU C1899 -13.855 -8.781 -2.409 1.00 0.76 O ATOM 0 HA GLU C1899 -13.148 -9.915 2.443 1.00 0.29 H new ATOM 0 HB2 GLU C1899 -11.508 -8.900 0.696 1.00 0.30 H new ATOM 0 HB3 GLU C1899 -12.769 -9.969 0.114 1.00 0.30 H new ATOM 0 HG2 GLU C1899 -13.471 -7.071 0.255 1.00 0.35 H new ATOM 0 HG3 GLU C1899 -12.265 -7.513 -0.938 1.00 0.35 H new ATOM 59 N LEU C1900 -13.099 -6.659 2.633 1.00 0.24 N ATOM 60 CA LEU C1900 -12.541 -5.506 3.312 1.00 0.25 C ATOM 61 C LEU C1900 -12.658 -5.662 4.829 1.00 0.28 C ATOM 62 O LEU C1900 -12.016 -4.949 5.589 1.00 0.44 O ATOM 63 CB LEU C1900 -13.235 -4.217 2.850 1.00 0.33 C ATOM 64 CG LEU C1900 -12.885 -3.700 1.452 1.00 0.20 C ATOM 65 CD1 LEU C1900 -11.386 -3.684 1.228 1.00 0.22 C ATOM 66 CD2 LEU C1900 -13.599 -4.473 0.375 1.00 0.31 C ATOM 0 H LEU C1900 -13.902 -6.446 2.041 1.00 0.24 H new ATOM 0 HA LEU C1900 -11.484 -5.439 3.054 1.00 0.25 H new ATOM 0 HB2 LEU C1900 -14.312 -4.379 2.891 1.00 0.33 H new ATOM 0 HB3 LEU C1900 -13.003 -3.431 3.569 1.00 0.33 H new ATOM 0 HG LEU C1900 -13.236 -2.670 1.391 1.00 0.20 H new ATOM 0 HD11 LEU C1900 -11.172 -3.312 0.226 1.00 0.22 H new ATOM 0 HD12 LEU C1900 -10.915 -3.034 1.965 1.00 0.22 H new ATOM 0 HD13 LEU C1900 -10.992 -4.695 1.331 1.00 0.22 H new ATOM 0 HD21 LEU C1900 -13.324 -4.075 -0.602 1.00 0.31 H new ATOM 0 HD22 LEU C1900 -13.315 -5.524 0.432 1.00 0.31 H new ATOM 0 HD23 LEU C1900 -14.676 -4.380 0.514 1.00 0.31 H new ATOM 78 N GLU C1901 -13.477 -6.609 5.265 1.00 0.27 N ATOM 79 CA GLU C1901 -13.602 -6.915 6.681 1.00 0.34 C ATOM 80 C GLU C1901 -12.316 -7.535 7.211 1.00 0.37 C ATOM 81 O GLU C1901 -11.757 -7.066 8.195 1.00 0.52 O ATOM 82 CB GLU C1901 -14.770 -7.868 6.909 1.00 0.48 C ATOM 83 CG GLU C1901 -14.831 -8.445 8.310 1.00 1.00 C ATOM 84 CD GLU C1901 -15.851 -9.549 8.421 1.00 1.11 C ATOM 85 OE1 GLU C1901 -15.609 -10.643 7.871 1.00 1.48 O ATOM 86 OE2 GLU C1901 -16.905 -9.327 9.046 1.00 1.44 O ATOM 0 H GLU C1901 -14.065 -7.179 4.657 1.00 0.27 H new ATOM 0 HA GLU C1901 -13.788 -5.986 7.220 1.00 0.34 H new ATOM 0 HB2 GLU C1901 -15.701 -7.340 6.704 1.00 0.48 H new ATOM 0 HB3 GLU C1901 -14.703 -8.687 6.193 1.00 0.48 H new ATOM 0 HG2 GLU C1901 -13.849 -8.829 8.587 1.00 1.00 H new ATOM 0 HG3 GLU C1901 -15.075 -7.653 9.018 1.00 1.00 H new ATOM 93 N ASP C1902 -11.848 -8.583 6.548 1.00 0.37 N ATOM 94 CA ASP C1902 -10.637 -9.274 6.977 1.00 0.46 C ATOM 95 C ASP C1902 -9.403 -8.586 6.410 1.00 0.44 C ATOM 96 O ASP C1902 -8.336 -8.592 7.021 1.00 0.58 O ATOM 97 CB ASP C1902 -10.672 -10.741 6.536 1.00 0.60 C ATOM 98 CG ASP C1902 -9.462 -11.525 7.014 1.00 1.18 C ATOM 99 OD1 ASP C1902 -9.288 -11.679 8.243 1.00 1.42 O ATOM 100 OD2 ASP C1902 -8.665 -11.971 6.160 1.00 2.01 O ATOM 0 H ASP C1902 -12.286 -8.974 5.714 1.00 0.37 H new ATOM 0 HA ASP C1902 -10.589 -9.238 8.065 1.00 0.46 H new ATOM 0 HB2 ASP C1902 -11.578 -11.210 6.919 1.00 0.60 H new ATOM 0 HB3 ASP C1902 -10.724 -10.788 5.448 1.00 0.60 H new ATOM 105 N ALA C1903 -9.568 -7.971 5.248 1.00 0.36 N ATOM 106 CA ALA C1903 -8.468 -7.316 4.558 1.00 0.46 C ATOM 107 C ALA C1903 -7.990 -6.082 5.305 1.00 0.37 C ATOM 108 O ALA C1903 -6.881 -6.056 5.844 1.00 0.37 O ATOM 109 CB ALA C1903 -8.888 -6.929 3.153 1.00 0.66 C ATOM 0 H ALA C1903 -10.462 -7.912 4.760 1.00 0.36 H new ATOM 0 HA ALA C1903 -7.642 -8.025 4.512 1.00 0.46 H new ATOM 0 HB1 ALA C1903 -8.056 -6.439 2.646 1.00 0.66 H new ATOM 0 HB2 ALA C1903 -9.174 -7.823 2.600 1.00 0.66 H new ATOM 0 HB3 ALA C1903 -9.736 -6.246 3.202 1.00 0.66 H new ATOM 115 N THR C1904 -8.833 -5.060 5.354 1.00 0.37 N ATOM 116 CA THR C1904 -8.428 -3.783 5.906 1.00 0.36 C ATOM 117 C THR C1904 -8.627 -3.743 7.416 1.00 0.34 C ATOM 118 O THR C1904 -8.453 -2.706 8.046 1.00 0.36 O ATOM 119 CB THR C1904 -9.170 -2.614 5.231 1.00 0.40 C ATOM 120 OG1 THR C1904 -10.582 -2.743 5.410 1.00 0.42 O ATOM 121 CG2 THR C1904 -8.849 -2.573 3.745 1.00 0.40 C ATOM 0 H THR C1904 -9.796 -5.093 5.019 1.00 0.37 H new ATOM 0 HA THR C1904 -7.364 -3.668 5.701 1.00 0.36 H new ATOM 0 HB THR C1904 -8.837 -1.687 5.697 1.00 0.40 H new ATOM 0 HG1 THR C1904 -10.789 -3.643 5.737 1.00 0.42 H new ATOM 0 HG21 THR C1904 -9.380 -1.742 3.281 1.00 0.40 H new ATOM 0 HG22 THR C1904 -7.776 -2.440 3.608 1.00 0.40 H new ATOM 0 HG23 THR C1904 -9.161 -3.508 3.280 1.00 0.40 H new ATOM 129 N GLU C1905 -8.985 -4.879 7.996 1.00 0.32 N ATOM 130 CA GLU C1905 -8.946 -5.037 9.444 1.00 0.32 C ATOM 131 C GLU C1905 -7.533 -4.741 9.910 1.00 0.28 C ATOM 132 O GLU C1905 -7.301 -4.012 10.876 1.00 0.32 O ATOM 133 CB GLU C1905 -9.285 -6.472 9.804 1.00 0.36 C ATOM 134 CG GLU C1905 -9.394 -6.742 11.296 1.00 0.62 C ATOM 135 CD GLU C1905 -10.561 -6.031 11.949 1.00 1.25 C ATOM 136 OE1 GLU C1905 -11.723 -6.390 11.657 1.00 1.76 O ATOM 137 OE2 GLU C1905 -10.321 -5.127 12.781 1.00 2.06 O ATOM 0 H GLU C1905 -9.305 -5.704 7.488 1.00 0.32 H new ATOM 0 HA GLU C1905 -9.661 -4.363 9.916 1.00 0.32 H new ATOM 0 HB2 GLU C1905 -10.230 -6.738 9.330 1.00 0.36 H new ATOM 0 HB3 GLU C1905 -8.522 -7.128 9.384 1.00 0.36 H new ATOM 0 HG2 GLU C1905 -9.495 -7.815 11.458 1.00 0.62 H new ATOM 0 HG3 GLU C1905 -8.470 -6.432 11.783 1.00 0.62 H new ATOM 144 N THR C1906 -6.600 -5.306 9.161 1.00 0.25 N ATOM 145 CA THR C1906 -5.185 -5.149 9.406 1.00 0.24 C ATOM 146 C THR C1906 -4.720 -3.737 9.067 1.00 0.21 C ATOM 147 O THR C1906 -3.582 -3.369 9.360 1.00 0.19 O ATOM 148 CB THR C1906 -4.396 -6.158 8.558 1.00 0.29 C ATOM 149 OG1 THR C1906 -5.311 -7.021 7.866 1.00 0.48 O ATOM 150 CG2 THR C1906 -3.472 -6.990 9.428 1.00 0.47 C ATOM 0 H THR C1906 -6.813 -5.894 8.355 1.00 0.25 H new ATOM 0 HA THR C1906 -5.004 -5.329 10.466 1.00 0.24 H new ATOM 0 HB THR C1906 -3.790 -5.607 7.839 1.00 0.29 H new ATOM 0 HG1 THR C1906 -5.694 -6.545 7.100 1.00 0.48 H new ATOM 0 HG21 THR C1906 -2.924 -7.697 8.805 1.00 0.47 H new ATOM 0 HG22 THR C1906 -2.767 -6.335 9.940 1.00 0.47 H new ATOM 0 HG23 THR C1906 -4.060 -7.536 10.165 1.00 0.47 H new ATOM 158 N ALA C1907 -5.594 -2.948 8.439 1.00 0.23 N ATOM 159 CA ALA C1907 -5.239 -1.589 8.071 1.00 0.21 C ATOM 160 C ALA C1907 -4.974 -0.760 9.313 1.00 0.21 C ATOM 161 O ALA C1907 -3.994 -0.029 9.377 1.00 0.21 O ATOM 162 CB ALA C1907 -6.308 -0.931 7.205 1.00 0.22 C ATOM 0 H ALA C1907 -6.540 -3.228 8.180 1.00 0.23 H new ATOM 0 HA ALA C1907 -4.328 -1.639 7.475 1.00 0.21 H new ATOM 0 HB1 ALA C1907 -5.999 0.084 6.954 1.00 0.22 H new ATOM 0 HB2 ALA C1907 -6.440 -1.507 6.289 1.00 0.22 H new ATOM 0 HB3 ALA C1907 -7.250 -0.899 7.752 1.00 0.22 H new ATOM 168 N ASP C1908 -5.845 -0.897 10.304 1.00 0.24 N ATOM 169 CA ASP C1908 -5.659 -0.233 11.592 1.00 0.26 C ATOM 170 C ASP C1908 -4.319 -0.630 12.226 1.00 0.27 C ATOM 171 O ASP C1908 -3.678 0.177 12.903 1.00 0.34 O ATOM 172 CB ASP C1908 -6.821 -0.579 12.528 1.00 0.33 C ATOM 173 CG ASP C1908 -6.621 -0.069 13.942 1.00 0.44 C ATOM 174 OD1 ASP C1908 -6.845 1.131 14.192 1.00 0.58 O ATOM 175 OD2 ASP C1908 -6.254 -0.881 14.818 1.00 0.68 O ATOM 0 H ASP C1908 -6.691 -1.464 10.242 1.00 0.24 H new ATOM 0 HA ASP C1908 -5.644 0.845 11.428 1.00 0.26 H new ATOM 0 HB2 ASP C1908 -7.742 -0.159 12.124 1.00 0.33 H new ATOM 0 HB3 ASP C1908 -6.949 -1.661 12.554 1.00 0.33 H new ATOM 180 N ALA C1909 -3.894 -1.869 11.987 1.00 0.23 N ATOM 181 CA ALA C1909 -2.600 -2.343 12.472 1.00 0.24 C ATOM 182 C ALA C1909 -1.458 -1.688 11.690 1.00 0.22 C ATOM 183 O ALA C1909 -0.698 -0.884 12.240 1.00 0.24 O ATOM 184 CB ALA C1909 -2.517 -3.859 12.374 1.00 0.27 C ATOM 0 H ALA C1909 -4.426 -2.562 11.461 1.00 0.23 H new ATOM 0 HA ALA C1909 -2.501 -2.061 13.520 1.00 0.24 H new ATOM 0 HB1 ALA C1909 -1.546 -4.195 12.739 1.00 0.27 H new ATOM 0 HB2 ALA C1909 -3.307 -4.306 12.978 1.00 0.27 H new ATOM 0 HB3 ALA C1909 -2.638 -4.164 11.334 1.00 0.27 H new ATOM 190 N MET C1910 -1.355 -2.033 10.403 1.00 0.19 N ATOM 191 CA MET C1910 -0.394 -1.419 9.486 1.00 0.19 C ATOM 192 C MET C1910 -0.358 0.109 9.573 1.00 0.19 C ATOM 193 O MET C1910 0.677 0.708 9.349 1.00 0.22 O ATOM 194 CB MET C1910 -0.725 -1.838 8.050 1.00 0.18 C ATOM 195 CG MET C1910 -0.044 -0.992 6.982 1.00 0.20 C ATOM 196 SD MET C1910 -0.526 -1.475 5.323 1.00 0.20 S ATOM 197 CE MET C1910 -0.042 -3.196 5.340 1.00 0.14 C ATOM 0 H MET C1910 -1.938 -2.748 9.968 1.00 0.19 H new ATOM 0 HA MET C1910 0.594 -1.774 9.781 1.00 0.19 H new ATOM 0 HB2 MET C1910 -0.436 -2.880 7.911 1.00 0.18 H new ATOM 0 HB3 MET C1910 -1.804 -1.784 7.907 1.00 0.18 H new ATOM 0 HG2 MET C1910 -0.293 0.057 7.139 1.00 0.20 H new ATOM 0 HG3 MET C1910 1.037 -1.082 7.085 1.00 0.20 H new ATOM 0 HE1 MET C1910 -0.241 -3.640 4.365 1.00 0.14 H new ATOM 0 HE2 MET C1910 1.022 -3.272 5.563 1.00 0.14 H new ATOM 0 HE3 MET C1910 -0.611 -3.727 6.103 1.00 0.14 H new ATOM 207 N ASN C1911 -1.469 0.742 9.894 1.00 0.21 N ATOM 208 CA ASN C1911 -1.529 2.204 9.892 1.00 0.22 C ATOM 209 C ASN C1911 -0.624 2.823 10.942 1.00 0.23 C ATOM 210 O ASN C1911 -0.023 3.873 10.723 1.00 0.27 O ATOM 211 CB ASN C1911 -2.953 2.678 10.118 1.00 0.24 C ATOM 212 CG ASN C1911 -3.039 4.180 10.122 1.00 0.25 C ATOM 213 OD1 ASN C1911 -3.147 4.750 8.942 1.00 0.42 O flip ATOM 214 ND2 ASN C1911 -2.978 4.820 11.170 1.00 0.25 N flip ATOM 0 H ASN C1911 -2.339 0.279 10.158 1.00 0.21 H new ATOM 0 HA ASN C1911 -1.179 2.529 8.912 1.00 0.22 H new ATOM 0 HB2 ASN C1911 -3.599 2.277 9.337 1.00 0.24 H new ATOM 0 HB3 ASN C1911 -3.321 2.289 11.067 1.00 0.24 H new ATOM 0 HD21 ASN C1911 -2.895 4.332 12.062 1.00 0.25 H new ATOM 0 HD22 ASN C1911 -3.011 5.839 11.148 1.00 0.25 H new ATOM 221 N ARG C1912 -0.519 2.179 12.078 1.00 0.23 N ATOM 222 CA ARG C1912 0.265 2.709 13.153 1.00 0.26 C ATOM 223 C ARG C1912 1.736 2.640 12.807 1.00 0.28 C ATOM 224 O ARG C1912 2.475 3.613 12.947 1.00 0.38 O ATOM 225 CB ARG C1912 -0.064 1.932 14.408 1.00 0.30 C ATOM 226 CG ARG C1912 -1.506 2.142 14.847 1.00 0.75 C ATOM 227 CD ARG C1912 -1.878 3.617 14.784 1.00 1.46 C ATOM 228 NE ARG C1912 -3.325 3.840 14.807 1.00 2.17 N ATOM 229 CZ ARG C1912 -3.959 4.525 15.758 1.00 2.91 C ATOM 230 NH1 ARG C1912 -3.313 4.889 16.860 1.00 3.13 N ATOM 231 NH2 ARG C1912 -5.251 4.808 15.629 1.00 3.76 N ATOM 0 H ARG C1912 -0.969 1.286 12.277 1.00 0.23 H new ATOM 0 HA ARG C1912 0.030 3.760 13.322 1.00 0.26 H new ATOM 0 HB2 ARG C1912 0.111 0.870 14.233 1.00 0.30 H new ATOM 0 HB3 ARG C1912 0.607 2.238 15.210 1.00 0.30 H new ATOM 0 HG2 ARG C1912 -2.174 1.566 14.207 1.00 0.75 H new ATOM 0 HG3 ARG C1912 -1.640 1.771 15.863 1.00 0.75 H new ATOM 0 HD2 ARG C1912 -1.422 4.138 15.626 1.00 1.46 H new ATOM 0 HD3 ARG C1912 -1.462 4.053 13.876 1.00 1.46 H new ATOM 0 HE ARG C1912 -3.882 3.447 14.048 1.00 2.17 H new ATOM 0 HH11 ARG C1912 -2.330 4.644 16.979 1.00 3.13 H new ATOM 0 HH12 ARG C1912 -3.800 5.413 17.587 1.00 3.13 H new ATOM 0 HH21 ARG C1912 -5.760 4.501 14.800 1.00 3.76 H new ATOM 0 HH22 ARG C1912 -5.734 5.332 16.359 1.00 3.76 H new ATOM 245 N GLU C1913 2.141 1.490 12.316 1.00 0.23 N ATOM 246 CA GLU C1913 3.499 1.302 11.845 1.00 0.25 C ATOM 247 C GLU C1913 3.755 2.057 10.543 1.00 0.22 C ATOM 248 O GLU C1913 4.861 2.506 10.317 1.00 0.27 O ATOM 249 CB GLU C1913 3.784 -0.179 11.641 1.00 0.29 C ATOM 250 CG GLU C1913 2.845 -0.839 10.651 1.00 0.29 C ATOM 251 CD GLU C1913 3.083 -2.322 10.527 1.00 0.39 C ATOM 252 OE1 GLU C1913 3.681 -2.911 11.448 1.00 0.79 O ATOM 253 OE2 GLU C1913 2.679 -2.904 9.498 1.00 0.57 O ATOM 0 H GLU C1913 1.547 0.665 12.231 1.00 0.23 H new ATOM 0 HA GLU C1913 4.168 1.703 12.606 1.00 0.25 H new ATOM 0 HB2 GLU C1913 4.810 -0.300 11.294 1.00 0.29 H new ATOM 0 HB3 GLU C1913 3.709 -0.692 12.600 1.00 0.29 H new ATOM 0 HG2 GLU C1913 1.815 -0.665 10.961 1.00 0.29 H new ATOM 0 HG3 GLU C1913 2.967 -0.372 9.674 1.00 0.29 H new ATOM 260 N VAL C1914 2.734 2.201 9.697 1.00 0.19 N ATOM 261 CA VAL C1914 2.894 2.842 8.388 1.00 0.20 C ATOM 262 C VAL C1914 3.387 4.270 8.543 1.00 0.18 C ATOM 263 O VAL C1914 4.259 4.722 7.811 1.00 0.20 O ATOM 264 CB VAL C1914 1.573 2.831 7.561 1.00 0.24 C ATOM 265 CG1 VAL C1914 0.694 4.035 7.850 1.00 0.26 C ATOM 266 CG2 VAL C1914 1.856 2.761 6.079 1.00 0.29 C ATOM 0 H VAL C1914 1.785 1.882 9.894 1.00 0.19 H new ATOM 0 HA VAL C1914 3.636 2.259 7.843 1.00 0.20 H new ATOM 0 HB VAL C1914 1.032 1.937 7.870 1.00 0.24 H new ATOM 0 HG11 VAL C1914 -0.212 3.977 7.247 1.00 0.26 H new ATOM 0 HG12 VAL C1914 0.427 4.045 8.907 1.00 0.26 H new ATOM 0 HG13 VAL C1914 1.235 4.948 7.604 1.00 0.26 H new ATOM 0 HG21 VAL C1914 0.915 2.755 5.529 1.00 0.29 H new ATOM 0 HG22 VAL C1914 2.446 3.628 5.780 1.00 0.29 H new ATOM 0 HG23 VAL C1914 2.412 1.850 5.857 1.00 0.29 H new ATOM 276 N SER C1915 2.852 4.964 9.525 1.00 0.21 N ATOM 277 CA SER C1915 3.172 6.352 9.713 1.00 0.28 C ATOM 278 C SER C1915 4.578 6.481 10.284 1.00 0.28 C ATOM 279 O SER C1915 5.288 7.453 10.030 1.00 0.36 O ATOM 280 CB SER C1915 2.128 6.983 10.618 1.00 0.36 C ATOM 281 OG SER C1915 2.328 8.379 10.766 1.00 1.31 O ATOM 0 H SER C1915 2.193 4.583 10.204 1.00 0.21 H new ATOM 0 HA SER C1915 3.157 6.881 8.760 1.00 0.28 H new ATOM 0 HB2 SER C1915 1.135 6.800 10.208 1.00 0.36 H new ATOM 0 HB3 SER C1915 2.161 6.506 11.598 1.00 0.36 H new ATOM 0 HG SER C1915 1.636 8.748 11.354 1.00 1.31 H new ATOM 287 N SER C1916 4.983 5.463 11.032 1.00 0.25 N ATOM 288 CA SER C1916 6.320 5.405 11.591 1.00 0.27 C ATOM 289 C SER C1916 7.314 4.884 10.546 1.00 0.27 C ATOM 290 O SER C1916 8.436 5.376 10.443 1.00 0.29 O ATOM 291 CB SER C1916 6.323 4.504 12.829 1.00 0.31 C ATOM 292 OG SER C1916 7.563 4.565 13.511 1.00 1.04 O ATOM 0 H SER C1916 4.396 4.662 11.265 1.00 0.25 H new ATOM 0 HA SER C1916 6.627 6.409 11.883 1.00 0.27 H new ATOM 0 HB2 SER C1916 5.521 4.806 13.502 1.00 0.31 H new ATOM 0 HB3 SER C1916 6.120 3.475 12.532 1.00 0.31 H new ATOM 0 HG SER C1916 7.533 3.981 14.297 1.00 1.04 H new ATOM 298 N LEU C1917 6.890 3.893 9.767 1.00 0.30 N ATOM 299 CA LEU C1917 7.730 3.292 8.747 1.00 0.30 C ATOM 300 C LEU C1917 7.978 4.279 7.619 1.00 0.26 C ATOM 301 O LEU C1917 9.116 4.473 7.201 1.00 0.26 O ATOM 302 CB LEU C1917 7.109 1.986 8.215 1.00 0.42 C ATOM 303 CG LEU C1917 8.020 1.147 7.301 1.00 0.57 C ATOM 304 CD1 LEU C1917 7.441 -0.229 7.058 1.00 1.25 C ATOM 305 CD2 LEU C1917 8.230 1.829 5.975 1.00 1.16 C ATOM 0 H LEU C1917 5.956 3.488 9.828 1.00 0.30 H new ATOM 0 HA LEU C1917 8.689 3.039 9.198 1.00 0.30 H new ATOM 0 HB2 LEU C1917 6.811 1.372 9.065 1.00 0.42 H new ATOM 0 HB3 LEU C1917 6.200 2.233 7.666 1.00 0.42 H new ATOM 0 HG LEU C1917 8.977 1.046 7.814 1.00 0.57 H new ATOM 0 HD11 LEU C1917 8.109 -0.795 6.409 1.00 1.25 H new ATOM 0 HD12 LEU C1917 7.331 -0.750 8.009 1.00 1.25 H new ATOM 0 HD13 LEU C1917 6.466 -0.134 6.581 1.00 1.25 H new ATOM 0 HD21 LEU C1917 8.877 1.215 5.349 1.00 1.16 H new ATOM 0 HD22 LEU C1917 7.269 1.965 5.480 1.00 1.16 H new ATOM 0 HD23 LEU C1917 8.696 2.801 6.136 1.00 1.16 H new ATOM 317 N LYS C1918 6.925 4.896 7.124 1.00 0.28 N ATOM 318 CA LYS C1918 7.059 5.893 6.078 1.00 0.29 C ATOM 319 C LYS C1918 7.923 7.055 6.576 1.00 0.32 C ATOM 320 O LYS C1918 8.506 7.808 5.793 1.00 0.38 O ATOM 321 CB LYS C1918 5.668 6.328 5.604 1.00 0.39 C ATOM 322 CG LYS C1918 5.503 7.802 5.336 1.00 0.29 C ATOM 323 CD LYS C1918 4.998 8.513 6.575 1.00 0.40 C ATOM 324 CE LYS C1918 5.254 9.996 6.463 1.00 0.69 C ATOM 325 NZ LYS C1918 4.701 10.761 7.613 1.00 1.36 N ATOM 0 H LYS C1918 5.966 4.726 7.428 1.00 0.28 H new ATOM 0 HA LYS C1918 7.571 5.475 5.212 1.00 0.29 H new ATOM 0 HB2 LYS C1918 5.427 5.782 4.692 1.00 0.39 H new ATOM 0 HB3 LYS C1918 4.938 6.030 6.356 1.00 0.39 H new ATOM 0 HG2 LYS C1918 6.456 8.230 5.027 1.00 0.29 H new ATOM 0 HG3 LYS C1918 4.804 7.952 4.513 1.00 0.29 H new ATOM 0 HD2 LYS C1918 3.931 8.329 6.700 1.00 0.40 H new ATOM 0 HD3 LYS C1918 5.496 8.116 7.460 1.00 0.40 H new ATOM 0 HE2 LYS C1918 6.328 10.172 6.397 1.00 0.69 H new ATOM 0 HE3 LYS C1918 4.813 10.368 5.538 1.00 0.69 H new ATOM 0 HZ1 LYS C1918 4.904 11.773 7.487 1.00 1.36 H new ATOM 0 HZ2 LYS C1918 3.672 10.618 7.663 1.00 1.36 H new ATOM 0 HZ3 LYS C1918 5.140 10.427 8.495 1.00 1.36 H new ATOM 339 N ASN C1919 8.029 7.157 7.895 1.00 0.31 N ATOM 340 CA ASN C1919 8.896 8.131 8.535 1.00 0.33 C ATOM 341 C ASN C1919 10.344 7.624 8.587 1.00 0.32 C ATOM 342 O ASN C1919 11.281 8.420 8.534 1.00 0.41 O ATOM 343 CB ASN C1919 8.382 8.447 9.944 1.00 0.37 C ATOM 344 CG ASN C1919 9.232 9.469 10.671 1.00 0.43 C ATOM 345 OD1 ASN C1919 9.036 10.675 10.523 1.00 1.05 O ATOM 346 ND2 ASN C1919 10.161 8.995 11.485 1.00 1.15 N ATOM 0 H ASN C1919 7.515 6.566 8.549 1.00 0.31 H new ATOM 0 HA ASN C1919 8.883 9.047 7.944 1.00 0.33 H new ATOM 0 HB2 ASN C1919 7.359 8.816 9.877 1.00 0.37 H new ATOM 0 HB3 ASN C1919 8.351 7.527 10.528 1.00 0.37 H new ATOM 0 HD21 ASN C1919 10.747 9.637 12.019 1.00 1.15 H new ATOM 0 HD22 ASN C1919 10.291 7.988 11.579 1.00 1.15 H new ATOM 353 N LYS C1920 10.535 6.302 8.660 1.00 0.28 N ATOM 354 CA LYS C1920 11.882 5.741 8.691 1.00 0.37 C ATOM 355 C LYS C1920 12.427 5.578 7.284 1.00 0.41 C ATOM 356 O LYS C1920 13.639 5.549 7.078 1.00 0.53 O ATOM 357 CB LYS C1920 11.986 4.414 9.486 1.00 0.48 C ATOM 358 CG LYS C1920 10.745 3.512 9.524 1.00 0.33 C ATOM 359 CD LYS C1920 10.906 2.458 10.619 1.00 0.44 C ATOM 360 CE LYS C1920 9.648 1.623 10.828 1.00 1.36 C ATOM 361 NZ LYS C1920 9.612 0.417 9.956 1.00 1.64 N ATOM 0 H LYS C1920 9.784 5.613 8.698 1.00 0.28 H new ATOM 0 HA LYS C1920 12.498 6.459 9.231 1.00 0.37 H new ATOM 0 HB2 LYS C1920 12.810 3.835 9.068 1.00 0.48 H new ATOM 0 HB3 LYS C1920 12.256 4.658 10.513 1.00 0.48 H new ATOM 0 HG2 LYS C1920 9.854 4.111 9.711 1.00 0.33 H new ATOM 0 HG3 LYS C1920 10.606 3.028 8.557 1.00 0.33 H new ATOM 0 HD2 LYS C1920 11.735 1.799 10.363 1.00 0.44 H new ATOM 0 HD3 LYS C1920 11.168 2.951 11.555 1.00 0.44 H new ATOM 0 HE2 LYS C1920 9.590 1.314 11.872 1.00 1.36 H new ATOM 0 HE3 LYS C1920 8.770 2.238 10.628 1.00 1.36 H new ATOM 0 HZ1 LYS C1920 8.636 0.246 9.641 1.00 1.64 H new ATOM 0 HZ2 LYS C1920 10.222 0.569 9.128 1.00 1.64 H new ATOM 0 HZ3 LYS C1920 9.953 -0.408 10.490 1.00 1.64 H new ATOM 375 N LEU C1921 11.536 5.513 6.308 1.00 0.38 N ATOM 376 CA LEU C1921 11.957 5.460 4.920 1.00 0.46 C ATOM 377 C LEU C1921 12.376 6.841 4.437 1.00 0.59 C ATOM 378 O LEU C1921 13.168 6.980 3.514 1.00 0.92 O ATOM 379 CB LEU C1921 10.854 4.898 4.020 1.00 0.44 C ATOM 380 CG LEU C1921 10.400 3.479 4.360 1.00 0.38 C ATOM 381 CD1 LEU C1921 9.620 2.872 3.211 1.00 0.40 C ATOM 382 CD2 LEU C1921 11.581 2.593 4.714 1.00 0.48 C ATOM 0 H LEU C1921 10.526 5.496 6.450 1.00 0.38 H new ATOM 0 HA LEU C1921 12.813 4.788 4.861 1.00 0.46 H new ATOM 0 HB2 LEU C1921 9.991 5.561 4.072 1.00 0.44 H new ATOM 0 HB3 LEU C1921 11.205 4.913 2.988 1.00 0.44 H new ATOM 0 HG LEU C1921 9.747 3.544 5.231 1.00 0.38 H new ATOM 0 HD11 LEU C1921 9.308 1.862 3.477 1.00 0.40 H new ATOM 0 HD12 LEU C1921 8.740 3.482 3.006 1.00 0.40 H new ATOM 0 HD13 LEU C1921 10.251 2.835 2.323 1.00 0.40 H new ATOM 0 HD21 LEU C1921 11.225 1.590 4.951 1.00 0.48 H new ATOM 0 HD22 LEU C1921 12.266 2.545 3.868 1.00 0.48 H new ATOM 0 HD23 LEU C1921 12.101 3.007 5.578 1.00 0.48 H new ATOM 394 N ARG C1922 11.845 7.868 5.065 1.00 0.49 N ATOM 395 CA ARG C1922 12.210 9.225 4.714 1.00 0.66 C ATOM 396 C ARG C1922 13.214 9.790 5.717 1.00 0.65 C ATOM 397 O ARG C1922 13.593 10.959 5.645 1.00 0.78 O ATOM 398 CB ARG C1922 10.961 10.083 4.628 1.00 0.87 C ATOM 399 CG ARG C1922 11.077 11.189 3.598 1.00 1.15 C ATOM 400 CD ARG C1922 9.714 11.580 3.074 1.00 1.07 C ATOM 401 NE ARG C1922 8.840 12.085 4.134 1.00 1.64 N ATOM 402 CZ ARG C1922 7.579 12.472 3.947 1.00 2.45 C ATOM 403 NH1 ARG C1922 7.039 12.437 2.737 1.00 2.92 N ATOM 404 NH2 ARG C1922 6.859 12.907 4.973 1.00 3.23 N ATOM 0 H ARG C1922 11.162 7.791 5.818 1.00 0.49 H new ATOM 0 HA ARG C1922 12.694 9.227 3.737 1.00 0.66 H new ATOM 0 HB2 ARG C1922 10.108 9.451 4.381 1.00 0.87 H new ATOM 0 HB3 ARG C1922 10.760 10.522 5.605 1.00 0.87 H new ATOM 0 HG2 ARG C1922 11.563 12.057 4.043 1.00 1.15 H new ATOM 0 HG3 ARG C1922 11.708 10.859 2.773 1.00 1.15 H new ATOM 0 HD2 ARG C1922 9.827 12.343 2.304 1.00 1.07 H new ATOM 0 HD3 ARG C1922 9.247 10.717 2.600 1.00 1.07 H new ATOM 0 HE ARG C1922 9.222 12.145 5.078 1.00 1.64 H new ATOM 0 HH11 ARG C1922 7.589 12.112 1.942 1.00 2.92 H new ATOM 0 HH12 ARG C1922 6.073 12.735 2.601 1.00 2.92 H new ATOM 0 HH21 ARG C1922 7.271 12.945 5.905 1.00 3.23 H new ATOM 0 HH22 ARG C1922 5.894 13.203 4.829 1.00 3.23 H new ATOM 461 N LEU C1926 17.832 6.053 4.391 1.00 0.64 N ATOM 462 CA LEU C1926 17.280 5.317 3.272 1.00 0.60 C ATOM 463 C LEU C1926 17.907 5.723 1.951 1.00 0.54 C ATOM 464 O LEU C1926 18.151 6.904 1.694 1.00 0.72 O ATOM 465 CB LEU C1926 15.778 5.534 3.186 1.00 0.93 C ATOM 466 CG LEU C1926 14.901 4.445 3.798 1.00 0.48 C ATOM 467 CD1 LEU C1926 13.892 3.982 2.760 1.00 0.56 C ATOM 468 CD2 LEU C1926 15.728 3.268 4.290 1.00 0.57 C ATOM 0 HA LEU C1926 17.502 4.265 3.449 1.00 0.60 H new ATOM 0 HB2 LEU C1926 15.540 6.479 3.674 1.00 0.93 H new ATOM 0 HB3 LEU C1926 15.507 5.641 2.136 1.00 0.93 H new ATOM 0 HG LEU C1926 14.384 4.861 4.663 1.00 0.48 H new ATOM 0 HD11 LEU C1926 13.261 3.204 3.188 1.00 0.56 H new ATOM 0 HD12 LEU C1926 13.272 4.825 2.454 1.00 0.56 H new ATOM 0 HD13 LEU C1926 14.419 3.585 1.892 1.00 0.56 H new ATOM 0 HD21 LEU C1926 15.068 2.514 4.719 1.00 0.57 H new ATOM 0 HD22 LEU C1926 16.279 2.836 3.455 1.00 0.57 H new ATOM 0 HD23 LEU C1926 16.431 3.610 5.050 1.00 0.57 H new ATOM 480 N PRO C1927 18.179 4.728 1.104 1.00 0.46 N ATOM 481 CA PRO C1927 18.606 4.954 -0.270 1.00 0.55 C ATOM 482 C PRO C1927 17.451 5.316 -1.190 1.00 0.63 C ATOM 483 O PRO C1927 17.625 6.070 -2.144 1.00 1.12 O ATOM 484 CB PRO C1927 19.175 3.603 -0.690 1.00 0.54 C ATOM 485 CG PRO C1927 18.474 2.601 0.162 1.00 0.44 C ATOM 486 CD PRO C1927 18.132 3.295 1.449 1.00 0.41 C ATOM 0 HA PRO C1927 19.309 5.784 -0.335 1.00 0.55 H new ATOM 0 HB2 PRO C1927 18.997 3.413 -1.748 1.00 0.54 H new ATOM 0 HB3 PRO C1927 20.253 3.565 -0.536 1.00 0.54 H new ATOM 0 HG2 PRO C1927 17.574 2.235 -0.332 1.00 0.44 H new ATOM 0 HG3 PRO C1927 19.111 1.736 0.346 1.00 0.44 H new ATOM 0 HD2 PRO C1927 17.146 3.003 1.810 1.00 0.41 H new ATOM 0 HD3 PRO C1927 18.845 3.050 2.236 1.00 0.41 H new ATOM 494 N PHE C1928 16.272 4.781 -0.886 1.00 0.30 N ATOM 495 CA PHE C1928 15.135 4.873 -1.789 1.00 0.27 C ATOM 496 C PHE C1928 14.074 5.800 -1.234 1.00 0.27 C ATOM 497 O PHE C1928 13.863 5.846 -0.021 1.00 0.31 O ATOM 498 CB PHE C1928 14.574 3.464 -2.056 1.00 0.24 C ATOM 499 CG PHE C1928 13.275 3.111 -1.396 1.00 0.23 C ATOM 500 CD1 PHE C1928 12.148 3.829 -1.699 1.00 0.30 C ATOM 501 CD2 PHE C1928 13.187 2.099 -0.462 1.00 0.26 C ATOM 502 CE1 PHE C1928 10.948 3.541 -1.093 1.00 0.33 C ATOM 503 CE2 PHE C1928 12.003 1.807 0.144 1.00 0.29 C ATOM 504 CZ PHE C1928 10.901 2.399 -0.202 1.00 0.27 C ATOM 0 H PHE C1928 16.081 4.279 -0.019 1.00 0.30 H new ATOM 0 HA PHE C1928 15.465 5.299 -2.736 1.00 0.27 H new ATOM 0 HB2 PHE C1928 14.449 3.348 -3.133 1.00 0.24 H new ATOM 0 HB3 PHE C1928 15.322 2.736 -1.741 1.00 0.24 H new ATOM 0 HD1 PHE C1928 12.203 4.630 -2.422 1.00 0.30 H new ATOM 0 HD2 PHE C1928 14.070 1.531 -0.208 1.00 0.26 H new ATOM 0 HE1 PHE C1928 10.071 4.145 -1.275 1.00 0.33 H new ATOM 0 HE2 PHE C1928 11.980 1.066 0.930 1.00 0.29 H new ATOM 0 HZ PHE C1928 9.953 2.042 0.173 1.00 0.27 H new ATOM 514 N VAL C1929 13.379 6.485 -2.143 1.00 0.25 N ATOM 515 CA VAL C1929 12.389 7.502 -1.803 1.00 0.25 C ATOM 516 C VAL C1929 11.547 7.860 -3.015 1.00 0.25 C ATOM 517 O VAL C1929 11.935 7.594 -4.150 1.00 0.27 O ATOM 518 CB VAL C1929 13.068 8.791 -1.343 1.00 0.29 C ATOM 519 CG1 VAL C1929 13.582 8.654 0.065 1.00 0.62 C ATOM 520 CG2 VAL C1929 14.193 9.092 -2.300 1.00 0.62 C ATOM 0 H VAL C1929 13.491 6.346 -3.147 1.00 0.25 H new ATOM 0 HA VAL C1929 11.770 7.085 -1.008 1.00 0.25 H new ATOM 0 HB VAL C1929 12.350 9.611 -1.342 1.00 0.29 H new ATOM 0 HG11 VAL C1929 14.061 9.584 0.370 1.00 0.62 H new ATOM 0 HG12 VAL C1929 12.751 8.437 0.736 1.00 0.62 H new ATOM 0 HG13 VAL C1929 14.307 7.841 0.110 1.00 0.62 H new ATOM 0 HG21 VAL C1929 14.696 10.010 -1.994 1.00 0.62 H new ATOM 0 HG22 VAL C1929 14.906 8.268 -2.294 1.00 0.62 H new ATOM 0 HG23 VAL C1929 13.792 9.216 -3.306 1.00 0.62 H new ATOM 530 N VAL C1930 10.414 8.495 -2.779 1.00 0.26 N ATOM 531 CA VAL C1930 9.591 8.970 -3.875 1.00 0.26 C ATOM 532 C VAL C1930 10.160 10.263 -4.457 1.00 0.29 C ATOM 533 O VAL C1930 10.415 11.228 -3.733 1.00 0.32 O ATOM 534 CB VAL C1930 8.133 9.229 -3.457 1.00 0.28 C ATOM 535 CG1 VAL C1930 7.317 9.681 -4.655 1.00 0.34 C ATOM 536 CG2 VAL C1930 7.511 7.997 -2.832 1.00 0.32 C ATOM 0 H VAL C1930 10.046 8.692 -1.849 1.00 0.26 H new ATOM 0 HA VAL C1930 9.600 8.176 -4.622 1.00 0.26 H new ATOM 0 HB VAL C1930 8.133 10.020 -2.707 1.00 0.28 H new ATOM 0 HG11 VAL C1930 6.287 9.861 -4.347 1.00 0.34 H new ATOM 0 HG12 VAL C1930 7.741 10.601 -5.058 1.00 0.34 H new ATOM 0 HG13 VAL C1930 7.336 8.906 -5.421 1.00 0.34 H new ATOM 0 HG21 VAL C1930 6.481 8.214 -2.548 1.00 0.32 H new ATOM 0 HG22 VAL C1930 7.524 7.178 -3.551 1.00 0.32 H new ATOM 0 HG23 VAL C1930 8.079 7.712 -1.947 1.00 0.32 H new ATOM 546 N PRO C1931 10.392 10.268 -5.771 1.00 0.34 N ATOM 547 CA PRO C1931 10.763 11.466 -6.532 1.00 0.42 C ATOM 548 C PRO C1931 9.650 12.520 -6.525 1.00 0.45 C ATOM 549 O PRO C1931 8.566 12.280 -5.997 1.00 0.45 O ATOM 550 CB PRO C1931 10.995 10.937 -7.951 1.00 0.56 C ATOM 551 CG PRO C1931 10.264 9.640 -8.006 1.00 0.48 C ATOM 552 CD PRO C1931 10.331 9.074 -6.621 1.00 0.36 C ATOM 0 HA PRO C1931 11.634 11.965 -6.108 1.00 0.42 H new ATOM 0 HB2 PRO C1931 10.617 11.635 -8.698 1.00 0.56 H new ATOM 0 HB3 PRO C1931 12.058 10.800 -8.152 1.00 0.56 H new ATOM 0 HG2 PRO C1931 9.230 9.787 -8.319 1.00 0.48 H new ATOM 0 HG3 PRO C1931 10.722 8.963 -8.727 1.00 0.48 H new ATOM 0 HD2 PRO C1931 9.458 8.463 -6.394 1.00 0.36 H new ATOM 0 HD3 PRO C1931 11.208 8.440 -6.488 1.00 0.36 H new ATOM 560 N ARG C1932 9.941 13.702 -7.070 1.00 0.54 N ATOM 561 CA ARG C1932 8.940 14.767 -7.173 1.00 0.70 C ATOM 562 C ARG C1932 7.665 14.258 -7.842 1.00 0.89 C ATOM 563 O ARG C1932 6.555 14.586 -7.425 1.00 1.79 O ATOM 564 CB ARG C1932 9.497 15.958 -7.955 1.00 0.83 C ATOM 565 CG ARG C1932 10.618 16.692 -7.237 1.00 1.53 C ATOM 566 CD ARG C1932 10.136 17.320 -5.939 1.00 2.00 C ATOM 567 NE ARG C1932 11.216 18.007 -5.237 1.00 2.79 N ATOM 568 CZ ARG C1932 11.054 18.758 -4.147 1.00 3.62 C ATOM 569 NH1 ARG C1932 9.843 18.952 -3.631 1.00 3.88 N ATOM 570 NH2 ARG C1932 12.114 19.318 -3.576 1.00 4.56 N ATOM 0 H ARG C1932 10.857 13.946 -7.446 1.00 0.54 H new ATOM 0 HA ARG C1932 8.696 15.091 -6.161 1.00 0.70 H new ATOM 0 HB2 ARG C1932 9.864 15.608 -8.920 1.00 0.83 H new ATOM 0 HB3 ARG C1932 8.687 16.659 -8.157 1.00 0.83 H new ATOM 0 HG2 ARG C1932 11.431 15.998 -7.026 1.00 1.53 H new ATOM 0 HG3 ARG C1932 11.022 17.467 -7.889 1.00 1.53 H new ATOM 0 HD2 ARG C1932 9.334 18.026 -6.153 1.00 2.00 H new ATOM 0 HD3 ARG C1932 9.717 16.547 -5.295 1.00 2.00 H new ATOM 0 HE ARG C1932 12.161 17.905 -5.606 1.00 2.79 H new ATOM 0 HH11 ARG C1932 9.027 18.524 -4.069 1.00 3.88 H new ATOM 0 HH12 ARG C1932 9.730 19.528 -2.797 1.00 3.88 H new ATOM 0 HH21 ARG C1932 13.043 19.172 -3.971 1.00 4.56 H new ATOM 0 HH22 ARG C1932 11.999 19.894 -2.742 1.00 4.56 H new ATOM 584 N ARG C1933 7.844 13.476 -8.890 1.00 0.74 N ATOM 585 CA ARG C1933 6.749 12.772 -9.536 1.00 0.76 C ATOM 586 C ARG C1933 6.935 11.279 -9.324 1.00 0.65 C ATOM 587 O ARG C1933 7.450 10.848 -8.298 1.00 0.69 O ATOM 588 CB ARG C1933 6.743 13.047 -11.039 1.00 0.95 C ATOM 589 CG ARG C1933 6.416 14.471 -11.437 1.00 1.66 C ATOM 590 CD ARG C1933 6.554 14.627 -12.939 1.00 1.80 C ATOM 591 NE ARG C1933 6.142 15.943 -13.415 1.00 2.56 N ATOM 592 CZ ARG C1933 6.741 16.582 -14.418 1.00 2.86 C ATOM 593 NH1 ARG C1933 7.847 16.082 -14.953 1.00 2.53 N ATOM 594 NH2 ARG C1933 6.257 17.731 -14.867 1.00 3.92 N ATOM 0 H ARG C1933 8.754 13.310 -9.319 1.00 0.74 H new ATOM 0 HA ARG C1933 5.809 13.115 -9.105 1.00 0.76 H new ATOM 0 HB2 ARG C1933 7.723 12.791 -11.442 1.00 0.95 H new ATOM 0 HB3 ARG C1933 6.020 12.381 -11.510 1.00 0.95 H new ATOM 0 HG2 ARG C1933 5.401 14.721 -11.128 1.00 1.66 H new ATOM 0 HG3 ARG C1933 7.085 15.164 -10.927 1.00 1.66 H new ATOM 0 HD2 ARG C1933 7.592 14.452 -13.223 1.00 1.80 H new ATOM 0 HD3 ARG C1933 5.955 13.863 -13.435 1.00 1.80 H new ATOM 0 HE ARG C1933 5.353 16.398 -12.955 1.00 2.56 H new ATOM 0 HH11 ARG C1933 8.237 15.210 -14.596 1.00 2.53 H new ATOM 0 HH12 ARG C1933 8.307 16.570 -15.721 1.00 2.53 H new ATOM 0 HH21 ARG C1933 5.420 18.132 -14.444 1.00 3.92 H new ATOM 0 HH22 ARG C1933 6.722 18.214 -15.636 1.00 3.92 H new ATOM 654 N ALA A 2 1.844 -1.753 -18.118 1.00 0.37 N ATOM 655 CA ALA A 2 2.401 -0.733 -17.245 1.00 0.33 C ATOM 656 C ALA A 2 3.487 -1.317 -16.351 1.00 0.30 C ATOM 657 O ALA A 2 3.696 -2.527 -16.344 1.00 0.39 O ATOM 658 CB ALA A 2 1.292 -0.117 -16.410 1.00 0.33 C ATOM 0 HA ALA A 2 2.859 0.044 -17.858 1.00 0.33 H new ATOM 0 HB1 ALA A 2 1.711 0.648 -15.756 1.00 0.33 H new ATOM 0 HB2 ALA A 2 0.550 0.335 -17.068 1.00 0.33 H new ATOM 0 HB3 ALA A 2 0.818 -0.891 -15.806 1.00 0.33 H new ATOM 664 N CYS A 3 4.191 -0.458 -15.622 1.00 0.29 N ATOM 665 CA CYS A 3 5.143 -0.906 -14.624 1.00 0.27 C ATOM 666 C CYS A 3 4.365 -1.327 -13.386 1.00 0.22 C ATOM 667 O CYS A 3 3.896 -0.484 -12.631 1.00 0.21 O ATOM 668 CB CYS A 3 6.133 0.211 -14.292 1.00 0.32 C ATOM 669 SG CYS A 3 6.989 0.887 -15.737 1.00 0.43 S ATOM 0 H CYS A 3 4.116 0.556 -15.708 1.00 0.29 H new ATOM 0 HA CYS A 3 5.719 -1.750 -15.003 1.00 0.27 H new ATOM 0 HB2 CYS A 3 5.600 1.017 -13.788 1.00 0.32 H new ATOM 0 HB3 CYS A 3 6.873 -0.170 -13.589 1.00 0.32 H new ATOM 0 HG CYS A 3 7.803 1.827 -15.359 1.00 0.43 H new ATOM 675 N PRO A 4 4.211 -2.641 -13.188 1.00 0.20 N ATOM 676 CA PRO A 4 3.264 -3.208 -12.213 1.00 0.18 C ATOM 677 C PRO A 4 3.377 -2.599 -10.824 1.00 0.16 C ATOM 678 O PRO A 4 2.450 -1.942 -10.350 1.00 0.16 O ATOM 679 CB PRO A 4 3.690 -4.673 -12.167 1.00 0.21 C ATOM 680 CG PRO A 4 4.229 -4.938 -13.523 1.00 0.24 C ATOM 681 CD PRO A 4 4.971 -3.692 -13.890 1.00 0.24 C ATOM 0 HA PRO A 4 2.230 -3.027 -12.505 1.00 0.18 H new ATOM 0 HB2 PRO A 4 4.444 -4.845 -11.398 1.00 0.21 H new ATOM 0 HB3 PRO A 4 2.847 -5.326 -11.939 1.00 0.21 H new ATOM 0 HG2 PRO A 4 4.889 -5.806 -13.524 1.00 0.24 H new ATOM 0 HG3 PRO A 4 3.429 -5.145 -14.233 1.00 0.24 H new ATOM 0 HD2 PRO A 4 6.010 -3.728 -13.561 1.00 0.24 H new ATOM 0 HD3 PRO A 4 4.983 -3.531 -14.968 1.00 0.24 H new ATOM 689 N LEU A 5 4.529 -2.782 -10.193 1.00 0.16 N ATOM 690 CA LEU A 5 4.719 -2.325 -8.826 1.00 0.17 C ATOM 691 C LEU A 5 4.805 -0.806 -8.791 1.00 0.19 C ATOM 692 O LEU A 5 4.373 -0.182 -7.830 1.00 0.24 O ATOM 693 CB LEU A 5 5.973 -2.964 -8.221 1.00 0.17 C ATOM 694 CG LEU A 5 5.863 -3.390 -6.746 1.00 0.18 C ATOM 695 CD1 LEU A 5 5.682 -2.192 -5.835 1.00 0.20 C ATOM 696 CD2 LEU A 5 4.715 -4.366 -6.554 1.00 0.20 C ATOM 0 H LEU A 5 5.341 -3.241 -10.605 1.00 0.16 H new ATOM 0 HA LEU A 5 3.863 -2.632 -8.225 1.00 0.17 H new ATOM 0 HB2 LEU A 5 6.233 -3.841 -8.814 1.00 0.17 H new ATOM 0 HB3 LEU A 5 6.799 -2.259 -8.315 1.00 0.17 H new ATOM 0 HG LEU A 5 6.797 -3.883 -6.478 1.00 0.18 H new ATOM 0 HD11 LEU A 5 5.608 -2.529 -4.801 1.00 0.20 H new ATOM 0 HD12 LEU A 5 6.537 -1.524 -5.938 1.00 0.20 H new ATOM 0 HD13 LEU A 5 4.771 -1.660 -6.110 1.00 0.20 H new ATOM 0 HD21 LEU A 5 4.655 -4.655 -5.505 1.00 0.20 H new ATOM 0 HD22 LEU A 5 3.780 -3.892 -6.854 1.00 0.20 H new ATOM 0 HD23 LEU A 5 4.885 -5.253 -7.165 1.00 0.20 H new ATOM 708 N GLU A 6 5.329 -0.204 -9.855 1.00 0.19 N ATOM 709 CA GLU A 6 5.439 1.244 -9.905 1.00 0.23 C ATOM 710 C GLU A 6 4.057 1.883 -9.934 1.00 0.21 C ATOM 711 O GLU A 6 3.781 2.832 -9.198 1.00 0.25 O ATOM 712 CB GLU A 6 6.239 1.718 -11.118 1.00 0.32 C ATOM 713 CG GLU A 6 6.446 3.225 -11.132 1.00 0.47 C ATOM 714 CD GLU A 6 7.076 3.730 -12.409 1.00 0.90 C ATOM 715 OE1 GLU A 6 8.321 3.795 -12.481 1.00 1.39 O ATOM 716 OE2 GLU A 6 6.325 4.079 -13.345 1.00 1.78 O ATOM 0 H GLU A 6 5.678 -0.690 -10.681 1.00 0.19 H new ATOM 0 HA GLU A 6 5.971 1.553 -9.005 1.00 0.23 H new ATOM 0 HB2 GLU A 6 7.210 1.222 -11.124 1.00 0.32 H new ATOM 0 HB3 GLU A 6 5.722 1.418 -12.029 1.00 0.32 H new ATOM 0 HG2 GLU A 6 5.484 3.718 -10.990 1.00 0.47 H new ATOM 0 HG3 GLU A 6 7.076 3.506 -10.288 1.00 0.47 H new ATOM 723 N LYS A 7 3.191 1.350 -10.790 1.00 0.18 N ATOM 724 CA LYS A 7 1.836 1.858 -10.912 1.00 0.20 C ATOM 725 C LYS A 7 1.085 1.693 -9.604 1.00 0.17 C ATOM 726 O LYS A 7 0.231 2.501 -9.288 1.00 0.19 O ATOM 727 CB LYS A 7 1.081 1.173 -12.057 1.00 0.26 C ATOM 728 CG LYS A 7 1.524 1.637 -13.438 1.00 0.41 C ATOM 729 CD LYS A 7 0.404 2.358 -14.178 1.00 0.90 C ATOM 730 CE LYS A 7 0.021 3.666 -13.501 1.00 0.83 C ATOM 731 NZ LYS A 7 1.112 4.673 -13.564 1.00 1.16 N ATOM 0 H LYS A 7 3.407 0.567 -11.407 1.00 0.18 H new ATOM 0 HA LYS A 7 1.900 2.921 -11.146 1.00 0.20 H new ATOM 0 HB2 LYS A 7 1.223 0.095 -11.982 1.00 0.26 H new ATOM 0 HB3 LYS A 7 0.014 1.363 -11.943 1.00 0.26 H new ATOM 0 HG2 LYS A 7 2.382 2.302 -13.340 1.00 0.41 H new ATOM 0 HG3 LYS A 7 1.852 0.777 -14.023 1.00 0.41 H new ATOM 0 HD2 LYS A 7 0.717 2.559 -15.203 1.00 0.90 H new ATOM 0 HD3 LYS A 7 -0.470 1.709 -14.233 1.00 0.90 H new ATOM 0 HE2 LYS A 7 -0.872 4.071 -13.977 1.00 0.83 H new ATOM 0 HE3 LYS A 7 -0.233 3.473 -12.459 1.00 0.83 H new ATOM 0 HZ1 LYS A 7 0.794 5.558 -13.120 1.00 1.16 H new ATOM 0 HZ2 LYS A 7 1.946 4.313 -13.058 1.00 1.16 H new ATOM 0 HZ3 LYS A 7 1.361 4.854 -14.558 1.00 1.16 H new ATOM 745 N ALA A 8 1.426 0.661 -8.840 1.00 0.18 N ATOM 746 CA ALA A 8 0.811 0.438 -7.533 1.00 0.19 C ATOM 747 C ALA A 8 0.868 1.700 -6.677 1.00 0.17 C ATOM 748 O ALA A 8 -0.166 2.204 -6.245 1.00 0.21 O ATOM 749 CB ALA A 8 1.482 -0.723 -6.814 1.00 0.20 C ATOM 0 H ALA A 8 2.124 -0.035 -9.101 1.00 0.18 H new ATOM 0 HA ALA A 8 -0.237 0.186 -7.695 1.00 0.19 H new ATOM 0 HB1 ALA A 8 1.009 -0.872 -5.843 1.00 0.20 H new ATOM 0 HB2 ALA A 8 1.379 -1.629 -7.411 1.00 0.20 H new ATOM 0 HB3 ALA A 8 2.540 -0.501 -6.672 1.00 0.20 H new ATOM 755 N LEU A 9 2.069 2.224 -6.455 1.00 0.14 N ATOM 756 CA LEU A 9 2.226 3.429 -5.638 1.00 0.14 C ATOM 757 C LEU A 9 1.702 4.657 -6.377 1.00 0.13 C ATOM 758 O LEU A 9 1.109 5.554 -5.773 1.00 0.16 O ATOM 759 CB LEU A 9 3.693 3.663 -5.247 1.00 0.15 C ATOM 760 CG LEU A 9 4.380 2.533 -4.471 1.00 0.16 C ATOM 761 CD1 LEU A 9 3.444 1.936 -3.440 1.00 0.19 C ATOM 762 CD2 LEU A 9 4.897 1.456 -5.404 1.00 0.15 C ATOM 0 H LEU A 9 2.940 1.841 -6.823 1.00 0.14 H new ATOM 0 HA LEU A 9 1.644 3.274 -4.729 1.00 0.14 H new ATOM 0 HB2 LEU A 9 4.264 3.849 -6.157 1.00 0.15 H new ATOM 0 HB3 LEU A 9 3.746 4.571 -4.647 1.00 0.15 H new ATOM 0 HG LEU A 9 5.234 2.966 -3.951 1.00 0.16 H new ATOM 0 HD11 LEU A 9 3.956 1.137 -2.904 1.00 0.19 H new ATOM 0 HD12 LEU A 9 3.139 2.709 -2.735 1.00 0.19 H new ATOM 0 HD13 LEU A 9 2.563 1.532 -3.939 1.00 0.19 H new ATOM 0 HD21 LEU A 9 5.378 0.670 -4.822 1.00 0.15 H new ATOM 0 HD22 LEU A 9 4.065 1.033 -5.967 1.00 0.15 H new ATOM 0 HD23 LEU A 9 5.620 1.890 -6.095 1.00 0.15 H new ATOM 774 N ASP A 10 1.921 4.686 -7.685 1.00 0.14 N ATOM 775 CA ASP A 10 1.494 5.806 -8.522 1.00 0.15 C ATOM 776 C ASP A 10 -0.017 5.986 -8.485 1.00 0.15 C ATOM 777 O ASP A 10 -0.518 7.084 -8.229 1.00 0.18 O ATOM 778 CB ASP A 10 1.961 5.588 -9.964 1.00 0.19 C ATOM 779 CG ASP A 10 1.381 6.598 -10.936 1.00 0.48 C ATOM 780 OD1 ASP A 10 1.927 7.710 -11.054 1.00 1.19 O ATOM 781 OD2 ASP A 10 0.384 6.268 -11.609 1.00 1.18 O ATOM 0 H ASP A 10 2.396 3.941 -8.195 1.00 0.14 H new ATOM 0 HA ASP A 10 1.949 6.714 -8.126 1.00 0.15 H new ATOM 0 HB2 ASP A 10 3.049 5.642 -9.999 1.00 0.19 H new ATOM 0 HB3 ASP A 10 1.681 4.584 -10.282 1.00 0.19 H new ATOM 786 N VAL A 11 -0.745 4.902 -8.717 1.00 0.16 N ATOM 787 CA VAL A 11 -2.194 4.960 -8.768 1.00 0.18 C ATOM 788 C VAL A 11 -2.775 5.172 -7.383 1.00 0.18 C ATOM 789 O VAL A 11 -3.902 5.637 -7.251 1.00 0.23 O ATOM 790 CB VAL A 11 -2.813 3.692 -9.386 1.00 0.20 C ATOM 791 CG1 VAL A 11 -2.187 3.410 -10.737 1.00 0.23 C ATOM 792 CG2 VAL A 11 -2.668 2.501 -8.454 1.00 0.18 C ATOM 0 H VAL A 11 -0.353 3.973 -8.872 1.00 0.16 H new ATOM 0 HA VAL A 11 -2.444 5.806 -9.408 1.00 0.18 H new ATOM 0 HB VAL A 11 -3.880 3.864 -9.530 1.00 0.20 H new ATOM 0 HG11 VAL A 11 -2.632 2.511 -11.164 1.00 0.23 H new ATOM 0 HG12 VAL A 11 -2.364 4.254 -11.403 1.00 0.23 H new ATOM 0 HG13 VAL A 11 -1.114 3.261 -10.617 1.00 0.23 H new ATOM 0 HG21 VAL A 11 -3.114 1.621 -8.917 1.00 0.18 H new ATOM 0 HG22 VAL A 11 -1.611 2.315 -8.263 1.00 0.18 H new ATOM 0 HG23 VAL A 11 -3.175 2.712 -7.512 1.00 0.18 H new ATOM 802 N MET A 12 -2.007 4.817 -6.357 1.00 0.16 N ATOM 803 CA MET A 12 -2.418 5.060 -4.985 1.00 0.20 C ATOM 804 C MET A 12 -2.759 6.520 -4.790 1.00 0.24 C ATOM 805 O MET A 12 -3.894 6.847 -4.478 1.00 0.40 O ATOM 806 CB MET A 12 -1.321 4.651 -4.013 1.00 0.25 C ATOM 807 CG MET A 12 -1.337 3.176 -3.681 1.00 0.17 C ATOM 808 SD MET A 12 0.151 2.657 -2.824 1.00 0.72 S ATOM 809 CE MET A 12 -0.379 1.086 -2.187 1.00 0.19 C ATOM 0 H MET A 12 -1.099 4.361 -6.453 1.00 0.16 H new ATOM 0 HA MET A 12 -3.304 4.457 -4.784 1.00 0.20 H new ATOM 0 HB2 MET A 12 -0.352 4.910 -4.439 1.00 0.25 H new ATOM 0 HB3 MET A 12 -1.428 5.225 -3.093 1.00 0.25 H new ATOM 0 HG2 MET A 12 -2.206 2.954 -3.062 1.00 0.17 H new ATOM 0 HG3 MET A 12 -1.444 2.600 -4.600 1.00 0.17 H new ATOM 0 HE1 MET A 12 0.490 0.514 -1.861 1.00 0.19 H new ATOM 0 HE2 MET A 12 -1.048 1.243 -1.341 1.00 0.19 H new ATOM 0 HE3 MET A 12 -0.904 0.535 -2.967 1.00 0.19 H new ATOM 819 N VAL A 13 -1.789 7.395 -5.016 1.00 0.17 N ATOM 820 CA VAL A 13 -2.009 8.822 -4.841 1.00 0.19 C ATOM 821 C VAL A 13 -2.812 9.406 -6.003 1.00 0.20 C ATOM 822 O VAL A 13 -3.525 10.392 -5.834 1.00 0.28 O ATOM 823 CB VAL A 13 -0.687 9.601 -4.671 1.00 0.18 C ATOM 824 CG1 VAL A 13 0.008 9.204 -3.382 1.00 0.21 C ATOM 825 CG2 VAL A 13 0.244 9.386 -5.847 1.00 0.19 C ATOM 0 H VAL A 13 -0.848 7.143 -5.319 1.00 0.17 H new ATOM 0 HA VAL A 13 -2.584 8.935 -3.922 1.00 0.19 H new ATOM 0 HB VAL A 13 -0.939 10.661 -4.628 1.00 0.18 H new ATOM 0 HG11 VAL A 13 0.937 9.765 -3.282 1.00 0.21 H new ATOM 0 HG12 VAL A 13 -0.642 9.425 -2.535 1.00 0.21 H new ATOM 0 HG13 VAL A 13 0.229 8.137 -3.401 1.00 0.21 H new ATOM 0 HG21 VAL A 13 1.164 9.950 -5.691 1.00 0.19 H new ATOM 0 HG22 VAL A 13 0.480 8.325 -5.935 1.00 0.19 H new ATOM 0 HG23 VAL A 13 -0.240 9.728 -6.762 1.00 0.19 H new ATOM 835 N SER A 14 -2.712 8.787 -7.173 1.00 0.19 N ATOM 836 CA SER A 14 -3.477 9.224 -8.334 1.00 0.22 C ATOM 837 C SER A 14 -4.973 9.047 -8.082 1.00 0.24 C ATOM 838 O SER A 14 -5.737 10.013 -8.106 1.00 0.28 O ATOM 839 CB SER A 14 -3.052 8.440 -9.580 1.00 0.24 C ATOM 840 OG SER A 14 -3.781 8.852 -10.722 1.00 1.12 O ATOM 0 H SER A 14 -2.109 7.982 -7.343 1.00 0.19 H new ATOM 0 HA SER A 14 -3.275 10.282 -8.503 1.00 0.22 H new ATOM 0 HB2 SER A 14 -1.986 8.583 -9.756 1.00 0.24 H new ATOM 0 HB3 SER A 14 -3.207 7.374 -9.412 1.00 0.24 H new ATOM 0 HG SER A 14 -3.487 8.336 -11.501 1.00 1.12 H new ATOM 846 N THR A 15 -5.375 7.812 -7.811 1.00 0.25 N ATOM 847 CA THR A 15 -6.768 7.486 -7.552 1.00 0.28 C ATOM 848 C THR A 15 -7.221 8.122 -6.240 1.00 0.30 C ATOM 849 O THR A 15 -8.389 8.480 -6.073 1.00 0.33 O ATOM 850 CB THR A 15 -6.957 5.961 -7.502 1.00 0.28 C ATOM 851 OG1 THR A 15 -6.265 5.370 -8.608 1.00 0.34 O ATOM 852 CG2 THR A 15 -8.424 5.574 -7.569 1.00 0.26 C ATOM 0 H THR A 15 -4.745 7.011 -7.765 1.00 0.25 H new ATOM 0 HA THR A 15 -7.379 7.884 -8.362 1.00 0.28 H new ATOM 0 HB THR A 15 -6.556 5.599 -6.555 1.00 0.28 H new ATOM 0 HG1 THR A 15 -5.309 5.310 -8.401 1.00 0.34 H new ATOM 0 HG21 THR A 15 -8.516 4.489 -7.531 1.00 0.26 H new ATOM 0 HG22 THR A 15 -8.955 6.013 -6.724 1.00 0.26 H new ATOM 0 HG23 THR A 15 -8.855 5.942 -8.500 1.00 0.26 H new ATOM 860 N PHE A 16 -6.267 8.275 -5.331 1.00 0.31 N ATOM 861 CA PHE A 16 -6.484 8.965 -4.067 1.00 0.37 C ATOM 862 C PHE A 16 -7.037 10.364 -4.297 1.00 0.42 C ATOM 863 O PHE A 16 -7.874 10.829 -3.541 1.00 0.54 O ATOM 864 CB PHE A 16 -5.161 9.039 -3.304 1.00 0.45 C ATOM 865 CG PHE A 16 -5.213 9.762 -1.995 1.00 0.36 C ATOM 866 CD1 PHE A 16 -6.031 9.319 -0.973 1.00 1.24 C ATOM 867 CD2 PHE A 16 -4.419 10.874 -1.782 1.00 1.26 C ATOM 868 CE1 PHE A 16 -6.059 9.973 0.240 1.00 1.39 C ATOM 869 CE2 PHE A 16 -4.444 11.534 -0.573 1.00 1.43 C ATOM 870 CZ PHE A 16 -5.266 11.082 0.438 1.00 0.99 C ATOM 0 H PHE A 16 -5.317 7.922 -5.450 1.00 0.31 H new ATOM 0 HA PHE A 16 -7.217 8.409 -3.482 1.00 0.37 H new ATOM 0 HB2 PHE A 16 -4.808 8.024 -3.125 1.00 0.45 H new ATOM 0 HB3 PHE A 16 -4.422 9.526 -3.940 1.00 0.45 H new ATOM 0 HD1 PHE A 16 -6.655 8.451 -1.126 1.00 1.24 H new ATOM 0 HD2 PHE A 16 -3.773 11.229 -2.571 1.00 1.26 H new ATOM 0 HE1 PHE A 16 -6.701 9.617 1.033 1.00 1.39 H new ATOM 0 HE2 PHE A 16 -3.822 12.403 -0.417 1.00 1.43 H new ATOM 0 HZ PHE A 16 -5.288 11.598 1.386 1.00 0.99 H new ATOM 880 N HIS A 17 -6.563 11.029 -5.346 1.00 0.44 N ATOM 881 CA HIS A 17 -7.006 12.383 -5.657 1.00 0.54 C ATOM 882 C HIS A 17 -8.203 12.381 -6.607 1.00 0.47 C ATOM 883 O HIS A 17 -8.853 13.410 -6.786 1.00 0.52 O ATOM 884 CB HIS A 17 -5.862 13.203 -6.263 1.00 0.72 C ATOM 885 CG HIS A 17 -4.703 13.403 -5.336 1.00 1.09 C ATOM 886 ND1 HIS A 17 -4.852 13.667 -3.993 1.00 2.16 N ATOM 887 CD2 HIS A 17 -3.370 13.348 -5.557 1.00 1.23 C ATOM 888 CE1 HIS A 17 -3.668 13.767 -3.430 1.00 2.80 C ATOM 889 NE2 HIS A 17 -2.749 13.575 -4.356 1.00 2.27 N ATOM 0 H HIS A 17 -5.872 10.652 -5.995 1.00 0.44 H new ATOM 0 HA HIS A 17 -7.317 12.843 -4.719 1.00 0.54 H new ATOM 0 HB2 HIS A 17 -5.510 12.706 -7.167 1.00 0.72 H new ATOM 0 HB3 HIS A 17 -6.246 14.177 -6.564 1.00 0.72 H new ATOM 0 HD2 HIS A 17 -2.885 13.160 -6.503 1.00 1.23 H new ATOM 0 HE1 HIS A 17 -3.480 13.972 -2.386 1.00 2.80 H new ATOM 0 HE2 HIS A 17 -1.741 13.593 -4.204 1.00 2.27 H new ATOM 898 N LYS A 18 -8.495 11.231 -7.212 1.00 0.43 N ATOM 899 CA LYS A 18 -9.568 11.142 -8.203 1.00 0.46 C ATOM 900 C LYS A 18 -10.942 11.333 -7.570 1.00 0.44 C ATOM 901 O LYS A 18 -11.674 12.259 -7.908 1.00 0.62 O ATOM 902 CB LYS A 18 -9.566 9.782 -8.909 1.00 0.55 C ATOM 903 CG LYS A 18 -8.354 9.495 -9.775 1.00 0.77 C ATOM 904 CD LYS A 18 -8.494 8.134 -10.445 1.00 0.73 C ATOM 905 CE LYS A 18 -7.271 7.770 -11.267 1.00 1.41 C ATOM 906 NZ LYS A 18 -7.440 6.460 -11.952 1.00 1.69 N ATOM 0 H LYS A 18 -8.008 10.353 -7.036 1.00 0.43 H new ATOM 0 HA LYS A 18 -9.379 11.940 -8.921 1.00 0.46 H new ATOM 0 HB2 LYS A 18 -9.644 9.000 -8.153 1.00 0.55 H new ATOM 0 HB3 LYS A 18 -10.459 9.714 -9.531 1.00 0.55 H new ATOM 0 HG2 LYS A 18 -8.247 10.272 -10.532 1.00 0.77 H new ATOM 0 HG3 LYS A 18 -7.450 9.517 -9.166 1.00 0.77 H new ATOM 0 HD2 LYS A 18 -8.658 7.371 -9.684 1.00 0.73 H new ATOM 0 HD3 LYS A 18 -9.374 8.137 -11.088 1.00 0.73 H new ATOM 0 HE2 LYS A 18 -7.086 8.547 -12.008 1.00 1.41 H new ATOM 0 HE3 LYS A 18 -6.395 7.732 -10.619 1.00 1.41 H new ATOM 0 HZ1 LYS A 18 -6.532 6.163 -12.363 1.00 1.69 H new ATOM 0 HZ2 LYS A 18 -7.758 5.747 -11.265 1.00 1.69 H new ATOM 0 HZ3 LYS A 18 -8.148 6.552 -12.708 1.00 1.69 H new ATOM 920 N TYR A 19 -11.282 10.446 -6.642 1.00 0.37 N ATOM 921 CA TYR A 19 -12.657 10.338 -6.163 1.00 0.41 C ATOM 922 C TYR A 19 -12.868 11.057 -4.837 1.00 0.48 C ATOM 923 O TYR A 19 -14.000 11.227 -4.407 1.00 0.73 O ATOM 924 CB TYR A 19 -13.043 8.864 -6.033 1.00 0.43 C ATOM 925 CG TYR A 19 -12.875 8.089 -7.321 1.00 0.38 C ATOM 926 CD1 TYR A 19 -13.878 8.069 -8.283 1.00 1.14 C ATOM 927 CD2 TYR A 19 -11.705 7.390 -7.582 1.00 1.18 C ATOM 928 CE1 TYR A 19 -13.716 7.373 -9.466 1.00 1.14 C ATOM 929 CE2 TYR A 19 -11.535 6.696 -8.762 1.00 1.21 C ATOM 930 CZ TYR A 19 -12.540 6.690 -9.700 1.00 0.48 C ATOM 931 OH TYR A 19 -12.364 5.999 -10.878 1.00 0.59 O ATOM 0 H TYR A 19 -10.629 9.794 -6.207 1.00 0.37 H new ATOM 0 HA TYR A 19 -13.300 10.826 -6.896 1.00 0.41 H new ATOM 0 HB2 TYR A 19 -12.433 8.402 -5.256 1.00 0.43 H new ATOM 0 HB3 TYR A 19 -14.081 8.794 -5.707 1.00 0.43 H new ATOM 0 HD1 TYR A 19 -14.798 8.605 -8.103 1.00 1.14 H new ATOM 0 HD2 TYR A 19 -10.913 7.389 -6.848 1.00 1.18 H new ATOM 0 HE1 TYR A 19 -14.505 7.364 -10.203 1.00 1.14 H new ATOM 0 HE2 TYR A 19 -10.616 6.160 -8.948 1.00 1.21 H new ATOM 0 HH TYR A 19 -11.602 5.389 -10.789 1.00 0.59 H new ATOM 941 N SER A 20 -11.786 11.476 -4.199 1.00 0.38 N ATOM 942 CA SER A 20 -11.884 12.191 -2.931 1.00 0.45 C ATOM 943 C SER A 20 -12.281 13.640 -3.175 1.00 0.54 C ATOM 944 O SER A 20 -13.157 14.181 -2.499 1.00 0.68 O ATOM 945 CB SER A 20 -10.550 12.134 -2.203 1.00 0.47 C ATOM 946 OG SER A 20 -9.529 12.642 -3.037 1.00 0.52 O ATOM 0 H SER A 20 -10.833 11.335 -4.534 1.00 0.38 H new ATOM 0 HA SER A 20 -12.648 11.716 -2.315 1.00 0.45 H new ATOM 0 HB2 SER A 20 -10.603 12.714 -1.282 1.00 0.47 H new ATOM 0 HB3 SER A 20 -10.323 11.106 -1.920 1.00 0.47 H new ATOM 0 HG SER A 20 -9.085 11.901 -3.499 1.00 0.52 H new ATOM 952 N GLY A 21 -11.632 14.261 -4.162 1.00 0.54 N ATOM 953 CA GLY A 21 -11.958 15.625 -4.539 1.00 0.65 C ATOM 954 C GLY A 21 -13.257 15.693 -5.312 1.00 0.68 C ATOM 955 O GLY A 21 -13.338 16.310 -6.374 1.00 0.82 O ATOM 0 H GLY A 21 -10.882 13.838 -4.709 1.00 0.54 H new ATOM 0 HA2 GLY A 21 -12.034 16.242 -3.644 1.00 0.65 H new ATOM 0 HA3 GLY A 21 -11.151 16.039 -5.144 1.00 0.65 H new ATOM 1057 N LYS A 28 -9.067 13.519 1.124 1.00 0.67 N ATOM 1058 CA LYS A 28 -9.997 13.018 2.111 1.00 0.64 C ATOM 1059 C LYS A 28 -11.145 12.295 1.436 1.00 0.48 C ATOM 1060 O LYS A 28 -11.877 12.876 0.640 1.00 0.54 O ATOM 1061 CB LYS A 28 -10.539 14.166 2.965 1.00 0.87 C ATOM 1062 CG LYS A 28 -11.218 13.707 4.240 1.00 1.00 C ATOM 1063 CD LYS A 28 -10.192 13.289 5.275 1.00 1.04 C ATOM 1064 CE LYS A 28 -9.444 14.498 5.816 1.00 1.55 C ATOM 1065 NZ LYS A 28 -8.454 14.134 6.862 1.00 2.03 N ATOM 0 HA LYS A 28 -9.467 12.317 2.756 1.00 0.64 H new ATOM 0 HB2 LYS A 28 -9.718 14.836 3.221 1.00 0.87 H new ATOM 0 HB3 LYS A 28 -11.249 14.744 2.373 1.00 0.87 H new ATOM 0 HG2 LYS A 28 -11.836 14.512 4.638 1.00 1.00 H new ATOM 0 HG3 LYS A 28 -11.883 12.871 4.023 1.00 1.00 H new ATOM 0 HD2 LYS A 28 -10.687 12.766 6.093 1.00 1.04 H new ATOM 0 HD3 LYS A 28 -9.485 12.588 4.830 1.00 1.04 H new ATOM 0 HE2 LYS A 28 -8.932 15.001 4.996 1.00 1.55 H new ATOM 0 HE3 LYS A 28 -10.160 15.209 6.229 1.00 1.55 H new ATOM 0 HZ1 LYS A 28 -8.273 14.958 7.470 1.00 2.03 H new ATOM 0 HZ2 LYS A 28 -8.829 13.354 7.438 1.00 2.03 H new ATOM 0 HZ3 LYS A 28 -7.566 13.835 6.411 1.00 2.03 H new ATOM 1079 N LEU A 29 -11.291 11.024 1.754 1.00 0.36 N ATOM 1080 CA LEU A 29 -12.356 10.226 1.171 1.00 0.32 C ATOM 1081 C LEU A 29 -13.394 9.832 2.208 1.00 0.34 C ATOM 1082 O LEU A 29 -13.112 9.063 3.129 1.00 0.40 O ATOM 1083 CB LEU A 29 -11.813 8.959 0.499 1.00 0.30 C ATOM 1084 CG LEU A 29 -10.914 9.186 -0.715 1.00 0.30 C ATOM 1085 CD1 LEU A 29 -9.462 9.341 -0.290 1.00 0.32 C ATOM 1086 CD2 LEU A 29 -11.070 8.049 -1.711 1.00 0.33 C ATOM 0 H LEU A 29 -10.691 10.522 2.409 1.00 0.36 H new ATOM 0 HA LEU A 29 -12.829 10.854 0.415 1.00 0.32 H new ATOM 0 HB2 LEU A 29 -11.254 8.388 1.240 1.00 0.30 H new ATOM 0 HB3 LEU A 29 -12.658 8.342 0.192 1.00 0.30 H new ATOM 0 HG LEU A 29 -11.221 10.111 -1.202 1.00 0.30 H new ATOM 0 HD11 LEU A 29 -8.840 9.502 -1.171 1.00 0.32 H new ATOM 0 HD12 LEU A 29 -9.368 10.195 0.381 1.00 0.32 H new ATOM 0 HD13 LEU A 29 -9.135 8.438 0.225 1.00 0.32 H new ATOM 0 HD21 LEU A 29 -10.423 8.226 -2.570 1.00 0.33 H new ATOM 0 HD22 LEU A 29 -10.793 7.108 -1.236 1.00 0.33 H new ATOM 0 HD23 LEU A 29 -12.107 7.996 -2.043 1.00 0.33 H new ATOM 1098 N ASN A 30 -14.589 10.377 2.060 1.00 0.35 N ATOM 1099 CA ASN A 30 -15.742 9.898 2.804 1.00 0.35 C ATOM 1100 C ASN A 30 -16.284 8.642 2.120 1.00 0.31 C ATOM 1101 O ASN A 30 -15.728 8.204 1.108 1.00 0.29 O ATOM 1102 CB ASN A 30 -16.821 10.991 2.908 1.00 0.41 C ATOM 1103 CG ASN A 30 -17.108 11.665 1.582 1.00 0.62 C ATOM 1104 OD1 ASN A 30 -16.455 12.642 1.222 1.00 1.20 O ATOM 1105 ND2 ASN A 30 -18.095 11.170 0.857 1.00 0.63 N ATOM 0 H ASN A 30 -14.787 11.154 1.429 1.00 0.35 H new ATOM 0 HA ASN A 30 -15.443 9.649 3.822 1.00 0.35 H new ATOM 0 HB2 ASN A 30 -17.741 10.551 3.292 1.00 0.41 H new ATOM 0 HB3 ASN A 30 -16.501 11.742 3.630 1.00 0.41 H new ATOM 0 HD21 ASN A 30 -18.338 11.600 -0.035 1.00 0.63 H new ATOM 0 HD22 ASN A 30 -18.614 10.357 1.189 1.00 0.63 H new ATOM 1112 N LYS A 31 -17.350 8.067 2.671 1.00 0.32 N ATOM 1113 CA LYS A 31 -17.904 6.803 2.166 1.00 0.31 C ATOM 1114 C LYS A 31 -18.095 6.816 0.647 1.00 0.30 C ATOM 1115 O LYS A 31 -17.586 5.943 -0.055 1.00 0.31 O ATOM 1116 CB LYS A 31 -19.251 6.498 2.827 1.00 0.35 C ATOM 1117 CG LYS A 31 -19.192 6.375 4.339 1.00 0.45 C ATOM 1118 CD LYS A 31 -20.567 6.074 4.922 1.00 0.56 C ATOM 1119 CE LYS A 31 -21.587 7.136 4.533 1.00 1.22 C ATOM 1120 NZ LYS A 31 -22.929 6.857 5.106 1.00 1.70 N ATOM 0 H LYS A 31 -17.852 8.454 3.470 1.00 0.32 H new ATOM 0 HA LYS A 31 -17.179 6.029 2.417 1.00 0.31 H new ATOM 0 HB2 LYS A 31 -19.957 7.286 2.566 1.00 0.35 H new ATOM 0 HB3 LYS A 31 -19.643 5.569 2.414 1.00 0.35 H new ATOM 0 HG2 LYS A 31 -18.496 5.583 4.615 1.00 0.45 H new ATOM 0 HG3 LYS A 31 -18.807 7.301 4.767 1.00 0.45 H new ATOM 0 HD2 LYS A 31 -20.905 5.099 4.572 1.00 0.56 H new ATOM 0 HD3 LYS A 31 -20.497 6.016 6.008 1.00 0.56 H new ATOM 0 HE2 LYS A 31 -21.243 8.112 4.876 1.00 1.22 H new ATOM 0 HE3 LYS A 31 -21.660 7.187 3.447 1.00 1.22 H new ATOM 0 HZ1 LYS A 31 -23.592 7.604 4.817 1.00 1.70 H new ATOM 0 HZ2 LYS A 31 -23.270 5.938 4.759 1.00 1.70 H new ATOM 0 HZ3 LYS A 31 -22.865 6.834 6.144 1.00 1.70 H new ATOM 1134 N SER A 32 -18.818 7.813 0.152 1.00 0.32 N ATOM 1135 CA SER A 32 -19.171 7.906 -1.247 1.00 0.34 C ATOM 1136 C SER A 32 -17.950 8.011 -2.165 1.00 0.31 C ATOM 1137 O SER A 32 -18.007 7.600 -3.328 1.00 0.34 O ATOM 1138 CB SER A 32 -20.073 9.117 -1.418 1.00 0.43 C ATOM 1139 OG SER A 32 -21.150 9.075 -0.497 1.00 1.29 O ATOM 0 H SER A 32 -19.175 8.582 0.719 1.00 0.32 H new ATOM 0 HA SER A 32 -19.684 6.990 -1.539 1.00 0.34 H new ATOM 0 HB2 SER A 32 -19.496 10.030 -1.269 1.00 0.43 H new ATOM 0 HB3 SER A 32 -20.460 9.147 -2.436 1.00 0.43 H new ATOM 0 HG SER A 32 -21.718 9.864 -0.622 1.00 1.29 H new ATOM 1145 N GLU A 33 -16.845 8.530 -1.644 1.00 0.30 N ATOM 1146 CA GLU A 33 -15.654 8.730 -2.454 1.00 0.31 C ATOM 1147 C GLU A 33 -14.963 7.394 -2.653 1.00 0.26 C ATOM 1148 O GLU A 33 -14.620 7.012 -3.773 1.00 0.27 O ATOM 1149 CB GLU A 33 -14.692 9.711 -1.779 1.00 0.37 C ATOM 1150 CG GLU A 33 -15.368 10.898 -1.108 1.00 0.51 C ATOM 1151 CD GLU A 33 -16.273 11.702 -2.025 1.00 0.88 C ATOM 1152 OE1 GLU A 33 -17.470 11.356 -2.139 1.00 1.46 O ATOM 1153 OE2 GLU A 33 -15.804 12.705 -2.595 1.00 1.68 O ATOM 0 H GLU A 33 -16.750 8.818 -0.670 1.00 0.30 H new ATOM 0 HA GLU A 33 -15.948 9.149 -3.416 1.00 0.31 H new ATOM 0 HB2 GLU A 33 -14.108 9.172 -1.033 1.00 0.37 H new ATOM 0 HB3 GLU A 33 -13.990 10.083 -2.525 1.00 0.37 H new ATOM 0 HG2 GLU A 33 -15.954 10.537 -0.263 1.00 0.51 H new ATOM 0 HG3 GLU A 33 -14.600 11.558 -0.704 1.00 0.51 H new ATOM 1160 N LEU A 34 -14.780 6.682 -1.548 1.00 0.23 N ATOM 1161 CA LEU A 34 -14.221 5.341 -1.585 1.00 0.20 C ATOM 1162 C LEU A 34 -15.128 4.413 -2.368 1.00 0.20 C ATOM 1163 O LEU A 34 -14.654 3.554 -3.109 1.00 0.23 O ATOM 1164 CB LEU A 34 -14.032 4.802 -0.170 1.00 0.18 C ATOM 1165 CG LEU A 34 -12.749 5.236 0.524 1.00 0.18 C ATOM 1166 CD1 LEU A 34 -12.805 4.869 1.992 1.00 0.21 C ATOM 1167 CD2 LEU A 34 -11.554 4.582 -0.145 1.00 0.18 C ATOM 0 H LEU A 34 -15.012 7.015 -0.612 1.00 0.23 H new ATOM 0 HA LEU A 34 -13.250 5.389 -2.078 1.00 0.20 H new ATOM 0 HB2 LEU A 34 -14.880 5.118 0.438 1.00 0.18 H new ATOM 0 HB3 LEU A 34 -14.055 3.713 -0.207 1.00 0.18 H new ATOM 0 HG LEU A 34 -12.644 6.318 0.442 1.00 0.18 H new ATOM 0 HD11 LEU A 34 -11.883 5.183 2.481 1.00 0.21 H new ATOM 0 HD12 LEU A 34 -13.653 5.369 2.460 1.00 0.21 H new ATOM 0 HD13 LEU A 34 -12.920 3.790 2.093 1.00 0.21 H new ATOM 0 HD21 LEU A 34 -10.639 4.897 0.357 1.00 0.18 H new ATOM 0 HD22 LEU A 34 -11.649 3.498 -0.080 1.00 0.18 H new ATOM 0 HD23 LEU A 34 -11.515 4.881 -1.193 1.00 0.18 H new ATOM 1179 N LYS A 35 -16.434 4.604 -2.210 1.00 0.23 N ATOM 1180 CA LYS A 35 -17.417 3.828 -2.912 1.00 0.29 C ATOM 1181 C LYS A 35 -17.136 3.840 -4.403 1.00 0.25 C ATOM 1182 O LYS A 35 -16.872 2.798 -4.996 1.00 0.27 O ATOM 1183 CB LYS A 35 -18.793 4.406 -2.618 1.00 0.42 C ATOM 1184 CG LYS A 35 -19.923 3.661 -3.275 1.00 0.60 C ATOM 1185 CD LYS A 35 -21.257 4.277 -2.915 1.00 0.71 C ATOM 1186 CE LYS A 35 -22.374 3.512 -3.565 1.00 0.53 C ATOM 1187 NZ LYS A 35 -22.637 2.227 -2.867 1.00 0.89 N ATOM 0 H LYS A 35 -16.829 5.308 -1.586 1.00 0.23 H new ATOM 0 HA LYS A 35 -17.378 2.792 -2.577 1.00 0.29 H new ATOM 0 HB2 LYS A 35 -18.952 4.409 -1.540 1.00 0.42 H new ATOM 0 HB3 LYS A 35 -18.817 5.445 -2.946 1.00 0.42 H new ATOM 0 HG2 LYS A 35 -19.792 3.674 -4.357 1.00 0.60 H new ATOM 0 HG3 LYS A 35 -19.905 2.616 -2.964 1.00 0.60 H new ATOM 0 HD2 LYS A 35 -21.387 4.275 -1.833 1.00 0.71 H new ATOM 0 HD3 LYS A 35 -21.284 5.318 -3.237 1.00 0.71 H new ATOM 0 HE2 LYS A 35 -23.280 4.119 -3.564 1.00 0.53 H new ATOM 0 HE3 LYS A 35 -22.123 3.316 -4.607 1.00 0.53 H new ATOM 0 HZ1 LYS A 35 -23.610 1.918 -3.064 1.00 0.89 H new ATOM 0 HZ2 LYS A 35 -21.969 1.505 -3.205 1.00 0.89 H new ATOM 0 HZ3 LYS A 35 -22.516 2.358 -1.842 1.00 0.89 H new ATOM 1201 N GLU A 36 -17.139 5.026 -4.990 1.00 0.25 N ATOM 1202 CA GLU A 36 -16.926 5.159 -6.417 1.00 0.28 C ATOM 1203 C GLU A 36 -15.534 4.661 -6.795 1.00 0.28 C ATOM 1204 O GLU A 36 -15.354 4.012 -7.825 1.00 0.34 O ATOM 1205 CB GLU A 36 -17.109 6.610 -6.844 1.00 0.32 C ATOM 1206 CG GLU A 36 -17.393 6.760 -8.323 1.00 0.66 C ATOM 1207 CD GLU A 36 -17.730 8.179 -8.710 1.00 0.77 C ATOM 1208 OE1 GLU A 36 -18.793 8.680 -8.285 1.00 1.28 O ATOM 1209 OE2 GLU A 36 -16.948 8.798 -9.460 1.00 1.49 O ATOM 0 H GLU A 36 -17.287 5.908 -4.499 1.00 0.25 H new ATOM 0 HA GLU A 36 -17.663 4.549 -6.939 1.00 0.28 H new ATOM 0 HB2 GLU A 36 -17.929 7.049 -6.276 1.00 0.32 H new ATOM 0 HB3 GLU A 36 -16.210 7.173 -6.593 1.00 0.32 H new ATOM 0 HG2 GLU A 36 -16.523 6.430 -8.891 1.00 0.66 H new ATOM 0 HG3 GLU A 36 -18.221 6.106 -8.598 1.00 0.66 H new ATOM 1216 N LEU A 37 -14.565 4.945 -5.934 1.00 0.25 N ATOM 1217 CA LEU A 37 -13.190 4.494 -6.126 1.00 0.27 C ATOM 1218 C LEU A 37 -13.139 2.987 -6.336 1.00 0.23 C ATOM 1219 O LEU A 37 -12.653 2.506 -7.364 1.00 0.24 O ATOM 1220 CB LEU A 37 -12.358 4.891 -4.905 1.00 0.32 C ATOM 1221 CG LEU A 37 -10.846 4.803 -5.080 1.00 0.40 C ATOM 1222 CD1 LEU A 37 -10.191 6.043 -4.504 1.00 0.33 C ATOM 1223 CD2 LEU A 37 -10.298 3.554 -4.403 1.00 0.74 C ATOM 0 H LEU A 37 -14.708 5.492 -5.085 1.00 0.25 H new ATOM 0 HA LEU A 37 -12.779 4.968 -7.017 1.00 0.27 H new ATOM 0 HB2 LEU A 37 -12.615 5.914 -4.630 1.00 0.32 H new ATOM 0 HB3 LEU A 37 -12.646 4.254 -4.069 1.00 0.32 H new ATOM 0 HG LEU A 37 -10.620 4.740 -6.144 1.00 0.40 H new ATOM 0 HD11 LEU A 37 -9.110 5.976 -4.631 1.00 0.33 H new ATOM 0 HD12 LEU A 37 -10.564 6.926 -5.023 1.00 0.33 H new ATOM 0 HD13 LEU A 37 -10.427 6.120 -3.443 1.00 0.33 H new ATOM 0 HD21 LEU A 37 -9.217 3.510 -4.540 1.00 0.74 H new ATOM 0 HD22 LEU A 37 -10.528 3.587 -3.338 1.00 0.74 H new ATOM 0 HD23 LEU A 37 -10.756 2.669 -4.846 1.00 0.74 H new ATOM 1235 N LEU A 38 -13.673 2.248 -5.376 1.00 0.20 N ATOM 1236 CA LEU A 38 -13.673 0.801 -5.451 1.00 0.20 C ATOM 1237 C LEU A 38 -14.558 0.304 -6.592 1.00 0.22 C ATOM 1238 O LEU A 38 -14.199 -0.636 -7.283 1.00 0.24 O ATOM 1239 CB LEU A 38 -14.102 0.180 -4.116 1.00 0.19 C ATOM 1240 CG LEU A 38 -12.999 0.102 -3.052 1.00 0.18 C ATOM 1241 CD1 LEU A 38 -13.228 1.119 -1.949 1.00 0.19 C ATOM 1242 CD2 LEU A 38 -12.916 -1.301 -2.473 1.00 0.21 C ATOM 0 H LEU A 38 -14.111 2.629 -4.537 1.00 0.20 H new ATOM 0 HA LEU A 38 -12.652 0.482 -5.659 1.00 0.20 H new ATOM 0 HB2 LEU A 38 -14.933 0.759 -3.714 1.00 0.19 H new ATOM 0 HB3 LEU A 38 -14.476 -0.826 -4.304 1.00 0.19 H new ATOM 0 HG LEU A 38 -12.050 0.337 -3.534 1.00 0.18 H new ATOM 0 HD11 LEU A 38 -12.431 1.040 -1.210 1.00 0.19 H new ATOM 0 HD12 LEU A 38 -13.230 2.123 -2.374 1.00 0.19 H new ATOM 0 HD13 LEU A 38 -14.188 0.926 -1.470 1.00 0.19 H new ATOM 0 HD21 LEU A 38 -12.129 -1.338 -1.720 1.00 0.21 H new ATOM 0 HD22 LEU A 38 -13.869 -1.562 -2.014 1.00 0.21 H new ATOM 0 HD23 LEU A 38 -12.690 -2.010 -3.269 1.00 0.21 H new ATOM 1254 N THR A 39 -15.696 0.949 -6.812 1.00 0.23 N ATOM 1255 CA THR A 39 -16.627 0.503 -7.858 1.00 0.26 C ATOM 1256 C THR A 39 -15.989 0.588 -9.240 1.00 0.27 C ATOM 1257 O THR A 39 -16.356 -0.152 -10.156 1.00 0.30 O ATOM 1258 CB THR A 39 -17.944 1.314 -7.882 1.00 0.29 C ATOM 1259 OG1 THR A 39 -17.679 2.704 -8.116 1.00 0.33 O ATOM 1260 CG2 THR A 39 -18.716 1.154 -6.584 1.00 0.30 C ATOM 0 H THR A 39 -16.000 1.772 -6.292 1.00 0.23 H new ATOM 0 HA THR A 39 -16.862 -0.532 -7.612 1.00 0.26 H new ATOM 0 HB THR A 39 -18.553 0.923 -8.697 1.00 0.29 H new ATOM 0 HG1 THR A 39 -16.713 2.863 -8.080 1.00 0.33 H new ATOM 0 HG21 THR A 39 -19.636 1.736 -6.634 1.00 0.30 H new ATOM 0 HG22 THR A 39 -18.960 0.102 -6.433 1.00 0.30 H new ATOM 0 HG23 THR A 39 -18.107 1.508 -5.752 1.00 0.30 H new ATOM 1268 N ARG A 40 -15.031 1.490 -9.382 1.00 0.27 N ATOM 1269 CA ARG A 40 -14.393 1.725 -10.664 1.00 0.30 C ATOM 1270 C ARG A 40 -13.174 0.832 -10.858 1.00 0.29 C ATOM 1271 O ARG A 40 -13.148 -0.006 -11.761 1.00 0.33 O ATOM 1272 CB ARG A 40 -13.995 3.196 -10.792 1.00 0.34 C ATOM 1273 CG ARG A 40 -15.180 4.138 -10.911 1.00 0.36 C ATOM 1274 CD ARG A 40 -15.984 3.860 -12.169 1.00 0.47 C ATOM 1275 NE ARG A 40 -15.209 4.114 -13.382 1.00 0.67 N ATOM 1276 CZ ARG A 40 -15.427 3.507 -14.547 1.00 0.90 C ATOM 1277 NH1 ARG A 40 -16.376 2.581 -14.649 1.00 1.24 N ATOM 1278 NH2 ARG A 40 -14.683 3.817 -15.604 1.00 1.09 N ATOM 0 H ARG A 40 -14.679 2.072 -8.622 1.00 0.27 H new ATOM 0 HA ARG A 40 -15.113 1.477 -11.444 1.00 0.30 H new ATOM 0 HB2 ARG A 40 -13.401 3.480 -9.923 1.00 0.34 H new ATOM 0 HB3 ARG A 40 -13.357 3.316 -11.667 1.00 0.34 H new ATOM 0 HG2 ARG A 40 -15.821 4.031 -10.036 1.00 0.36 H new ATOM 0 HG3 ARG A 40 -14.827 5.169 -10.923 1.00 0.36 H new ATOM 0 HD2 ARG A 40 -16.319 2.823 -12.163 1.00 0.47 H new ATOM 0 HD3 ARG A 40 -16.878 4.483 -12.173 1.00 0.47 H new ATOM 0 HE ARG A 40 -14.454 4.799 -13.333 1.00 0.67 H new ATOM 0 HH11 ARG A 40 -16.938 2.335 -13.834 1.00 1.24 H new ATOM 0 HH12 ARG A 40 -16.542 2.117 -15.542 1.00 1.24 H new ATOM 0 HH21 ARG A 40 -13.947 4.518 -15.522 1.00 1.09 H new ATOM 0 HH22 ARG A 40 -14.848 3.353 -16.497 1.00 1.09 H new ATOM 1292 N GLU A 41 -12.169 1.007 -10.015 1.00 0.29 N ATOM 1293 CA GLU A 41 -10.899 0.321 -10.203 1.00 0.32 C ATOM 1294 C GLU A 41 -10.724 -0.899 -9.300 1.00 0.35 C ATOM 1295 O GLU A 41 -9.794 -1.679 -9.497 1.00 0.46 O ATOM 1296 CB GLU A 41 -9.745 1.299 -10.020 1.00 0.38 C ATOM 1297 CG GLU A 41 -9.378 2.024 -11.302 1.00 0.47 C ATOM 1298 CD GLU A 41 -9.311 3.528 -11.143 1.00 0.83 C ATOM 1299 OE1 GLU A 41 -10.379 4.183 -11.192 1.00 1.60 O ATOM 1300 OE2 GLU A 41 -8.194 4.066 -10.997 1.00 1.54 O ATOM 0 H GLU A 41 -12.206 1.615 -9.197 1.00 0.29 H new ATOM 0 HA GLU A 41 -10.898 -0.061 -11.224 1.00 0.32 H new ATOM 0 HB2 GLU A 41 -10.013 2.031 -9.258 1.00 0.38 H new ATOM 0 HB3 GLU A 41 -8.873 0.759 -9.651 1.00 0.38 H new ATOM 0 HG2 GLU A 41 -8.413 1.660 -11.653 1.00 0.47 H new ATOM 0 HG3 GLU A 41 -10.110 1.779 -12.072 1.00 0.47 H new ATOM 1307 N LEU A 42 -11.608 -1.090 -8.326 1.00 0.28 N ATOM 1308 CA LEU A 42 -11.501 -2.254 -7.441 1.00 0.29 C ATOM 1309 C LEU A 42 -12.800 -3.081 -7.396 1.00 0.28 C ATOM 1310 O LEU A 42 -13.149 -3.591 -6.334 1.00 0.26 O ATOM 1311 CB LEU A 42 -11.157 -1.830 -6.000 1.00 0.27 C ATOM 1312 CG LEU A 42 -9.908 -0.972 -5.811 1.00 0.27 C ATOM 1313 CD1 LEU A 42 -10.191 0.489 -6.149 1.00 0.27 C ATOM 1314 CD2 LEU A 42 -9.398 -1.113 -4.384 1.00 0.31 C ATOM 0 H LEU A 42 -12.393 -0.470 -8.128 1.00 0.28 H new ATOM 0 HA LEU A 42 -10.702 -2.868 -7.857 1.00 0.29 H new ATOM 0 HB2 LEU A 42 -12.008 -1.283 -5.595 1.00 0.27 H new ATOM 0 HB3 LEU A 42 -11.043 -2.732 -5.399 1.00 0.27 H new ATOM 0 HG LEU A 42 -9.136 -1.322 -6.496 1.00 0.27 H new ATOM 0 HD11 LEU A 42 -9.285 1.078 -6.006 1.00 0.27 H new ATOM 0 HD12 LEU A 42 -10.514 0.566 -7.187 1.00 0.27 H new ATOM 0 HD13 LEU A 42 -10.977 0.868 -5.496 1.00 0.27 H new ATOM 0 HD21 LEU A 42 -8.507 -0.499 -4.254 1.00 0.31 H new ATOM 0 HD22 LEU A 42 -10.170 -0.785 -3.688 1.00 0.31 H new ATOM 0 HD23 LEU A 42 -9.152 -2.156 -4.187 1.00 0.31 H new ATOM 1326 N PRO A 43 -13.523 -3.284 -8.524 1.00 0.32 N ATOM 1327 CA PRO A 43 -14.819 -3.961 -8.487 1.00 0.34 C ATOM 1328 C PRO A 43 -14.651 -5.442 -8.194 1.00 0.35 C ATOM 1329 O PRO A 43 -15.554 -6.103 -7.681 1.00 0.38 O ATOM 1330 CB PRO A 43 -15.403 -3.756 -9.890 1.00 0.43 C ATOM 1331 CG PRO A 43 -14.469 -2.823 -10.593 1.00 0.52 C ATOM 1332 CD PRO A 43 -13.145 -2.943 -9.901 1.00 0.36 C ATOM 0 HA PRO A 43 -15.465 -3.564 -7.704 1.00 0.34 H new ATOM 0 HB2 PRO A 43 -15.481 -4.704 -10.422 1.00 0.43 H new ATOM 0 HB3 PRO A 43 -16.407 -3.336 -9.837 1.00 0.43 H new ATOM 0 HG2 PRO A 43 -14.380 -3.085 -11.647 1.00 0.52 H new ATOM 0 HG3 PRO A 43 -14.838 -1.798 -10.549 1.00 0.52 H new ATOM 0 HD2 PRO A 43 -12.522 -3.716 -10.352 1.00 0.36 H new ATOM 0 HD3 PRO A 43 -12.580 -2.012 -9.946 1.00 0.36 H new ATOM 1340 N SER A 44 -13.467 -5.942 -8.522 1.00 0.37 N ATOM 1341 CA SER A 44 -13.100 -7.311 -8.231 1.00 0.41 C ATOM 1342 C SER A 44 -13.056 -7.526 -6.720 1.00 0.37 C ATOM 1343 O SER A 44 -13.338 -8.614 -6.227 1.00 0.42 O ATOM 1344 CB SER A 44 -11.741 -7.613 -8.868 1.00 0.48 C ATOM 1345 OG SER A 44 -11.722 -7.183 -10.223 1.00 1.09 O ATOM 0 H SER A 44 -12.739 -5.407 -8.996 1.00 0.37 H new ATOM 0 HA SER A 44 -13.842 -7.992 -8.648 1.00 0.41 H new ATOM 0 HB2 SER A 44 -10.951 -7.111 -8.309 1.00 0.48 H new ATOM 0 HB3 SER A 44 -11.538 -8.683 -8.816 1.00 0.48 H new ATOM 0 HG SER A 44 -10.877 -6.723 -10.408 1.00 1.09 H new ATOM 1351 N PHE A 45 -12.755 -6.454 -5.995 1.00 0.33 N ATOM 1352 CA PHE A 45 -12.682 -6.490 -4.539 1.00 0.34 C ATOM 1353 C PHE A 45 -14.025 -6.087 -3.936 1.00 0.36 C ATOM 1354 O PHE A 45 -14.128 -5.799 -2.745 1.00 0.40 O ATOM 1355 CB PHE A 45 -11.571 -5.556 -4.048 1.00 0.33 C ATOM 1356 CG PHE A 45 -10.230 -5.865 -4.650 1.00 0.35 C ATOM 1357 CD1 PHE A 45 -9.482 -6.939 -4.195 1.00 1.17 C ATOM 1358 CD2 PHE A 45 -9.720 -5.090 -5.679 1.00 1.31 C ATOM 1359 CE1 PHE A 45 -8.252 -7.232 -4.751 1.00 1.15 C ATOM 1360 CE2 PHE A 45 -8.491 -5.377 -6.241 1.00 1.36 C ATOM 1361 CZ PHE A 45 -7.756 -6.449 -5.777 1.00 0.46 C ATOM 0 H PHE A 45 -12.555 -5.539 -6.398 1.00 0.33 H new ATOM 0 HA PHE A 45 -12.450 -7.506 -4.219 1.00 0.34 H new ATOM 0 HB2 PHE A 45 -11.840 -4.526 -4.284 1.00 0.33 H new ATOM 0 HB3 PHE A 45 -11.500 -5.626 -2.963 1.00 0.33 H new ATOM 0 HD1 PHE A 45 -9.866 -7.555 -3.395 1.00 1.17 H new ATOM 0 HD2 PHE A 45 -10.291 -4.250 -6.047 1.00 1.31 H new ATOM 0 HE1 PHE A 45 -7.679 -8.071 -4.385 1.00 1.15 H new ATOM 0 HE2 PHE A 45 -8.106 -4.763 -7.042 1.00 1.36 H new ATOM 0 HZ PHE A 45 -6.795 -6.676 -6.215 1.00 0.46 H new ATOM 1371 N LEU A 46 -15.046 -6.023 -4.783 1.00 0.36 N ATOM 1372 CA LEU A 46 -16.395 -5.699 -4.338 1.00 0.40 C ATOM 1373 C LEU A 46 -17.366 -6.817 -4.682 1.00 0.55 C ATOM 1374 O LEU A 46 -18.553 -6.739 -4.360 1.00 0.70 O ATOM 1375 CB LEU A 46 -16.881 -4.411 -4.993 1.00 0.35 C ATOM 1376 CG LEU A 46 -15.976 -3.200 -4.810 1.00 0.32 C ATOM 1377 CD1 LEU A 46 -16.574 -2.004 -5.517 1.00 0.34 C ATOM 1378 CD2 LEU A 46 -15.771 -2.897 -3.335 1.00 0.30 C ATOM 0 H LEU A 46 -14.964 -6.192 -5.786 1.00 0.36 H new ATOM 0 HA LEU A 46 -16.359 -5.572 -3.256 1.00 0.40 H new ATOM 0 HB2 LEU A 46 -17.005 -4.592 -6.061 1.00 0.35 H new ATOM 0 HB3 LEU A 46 -17.866 -4.170 -4.593 1.00 0.35 H new ATOM 0 HG LEU A 46 -15.002 -3.422 -5.246 1.00 0.32 H new ATOM 0 HD11 LEU A 46 -15.923 -1.140 -5.384 1.00 0.34 H new ATOM 0 HD12 LEU A 46 -16.674 -2.222 -6.580 1.00 0.34 H new ATOM 0 HD13 LEU A 46 -17.556 -1.787 -5.097 1.00 0.34 H new ATOM 0 HD21 LEU A 46 -15.121 -2.028 -3.229 1.00 0.30 H new ATOM 0 HD22 LEU A 46 -16.734 -2.689 -2.869 1.00 0.30 H new ATOM 0 HD23 LEU A 46 -15.310 -3.756 -2.848 1.00 0.30 H new ATOM 1390 N GLY A 47 -16.873 -7.839 -5.375 1.00 0.64 N ATOM 1391 CA GLY A 47 -17.737 -8.915 -5.833 1.00 0.82 C ATOM 1392 C GLY A 47 -18.842 -8.414 -6.748 1.00 0.87 C ATOM 1393 O GLY A 47 -19.848 -9.099 -6.953 1.00 1.23 O ATOM 0 H GLY A 47 -15.890 -7.942 -5.628 1.00 0.64 H new ATOM 0 HA2 GLY A 47 -17.140 -9.659 -6.361 1.00 0.82 H new ATOM 0 HA3 GLY A 47 -18.180 -9.415 -4.971 1.00 0.82 H new ATOM 1397 N LYS A 48 -18.649 -7.201 -7.276 1.00 0.79 N ATOM 1398 CA LYS A 48 -19.623 -6.535 -8.141 1.00 0.95 C ATOM 1399 C LYS A 48 -20.947 -6.286 -7.402 1.00 0.73 C ATOM 1400 O LYS A 48 -21.986 -6.068 -8.029 1.00 0.97 O ATOM 1401 CB LYS A 48 -19.875 -7.372 -9.405 1.00 1.43 C ATOM 1402 CG LYS A 48 -20.353 -6.555 -10.598 1.00 2.17 C ATOM 1403 CD LYS A 48 -19.200 -5.844 -11.289 1.00 2.32 C ATOM 1404 CE LYS A 48 -18.291 -6.836 -11.998 1.00 2.88 C ATOM 1405 NZ LYS A 48 -17.138 -6.176 -12.670 1.00 3.51 N ATOM 0 H LYS A 48 -17.805 -6.651 -7.113 1.00 0.79 H new ATOM 0 HA LYS A 48 -19.208 -5.569 -8.429 1.00 0.95 H new ATOM 0 HB2 LYS A 48 -18.955 -7.890 -9.676 1.00 1.43 H new ATOM 0 HB3 LYS A 48 -20.617 -8.138 -9.180 1.00 1.43 H new ATOM 0 HG2 LYS A 48 -20.856 -7.210 -11.310 1.00 2.17 H new ATOM 0 HG3 LYS A 48 -21.087 -5.821 -10.266 1.00 2.17 H new ATOM 0 HD2 LYS A 48 -19.591 -5.125 -12.009 1.00 2.32 H new ATOM 0 HD3 LYS A 48 -18.625 -5.279 -10.555 1.00 2.32 H new ATOM 0 HE2 LYS A 48 -17.919 -7.563 -11.276 1.00 2.88 H new ATOM 0 HE3 LYS A 48 -18.870 -7.389 -12.737 1.00 2.88 H new ATOM 0 HZ1 LYS A 48 -16.689 -6.846 -13.326 1.00 3.51 H new ATOM 0 HZ2 LYS A 48 -17.473 -5.346 -13.199 1.00 3.51 H new ATOM 0 HZ3 LYS A 48 -16.446 -5.875 -11.955 1.00 3.51 H new ATOM 1419 N ARG A 49 -20.911 -6.305 -6.070 1.00 0.73 N ATOM 1420 CA ARG A 49 -22.125 -6.167 -5.275 1.00 0.70 C ATOM 1421 C ARG A 49 -21.880 -5.401 -3.979 1.00 0.61 C ATOM 1422 O ARG A 49 -22.093 -5.918 -2.881 1.00 0.75 O ATOM 1423 CB ARG A 49 -22.680 -7.554 -4.980 1.00 0.97 C ATOM 1424 CG ARG A 49 -21.717 -8.459 -4.223 1.00 1.10 C ATOM 1425 CD ARG A 49 -22.317 -9.831 -4.008 1.00 1.54 C ATOM 1426 NE ARG A 49 -22.708 -10.446 -5.276 1.00 2.02 N ATOM 1427 CZ ARG A 49 -23.906 -10.989 -5.504 1.00 2.68 C ATOM 1428 NH1 ARG A 49 -24.813 -11.047 -4.537 1.00 3.06 N ATOM 1429 NH2 ARG A 49 -24.199 -11.475 -6.703 1.00 3.24 N ATOM 0 H ARG A 49 -20.057 -6.414 -5.523 1.00 0.73 H new ATOM 0 HA ARG A 49 -22.849 -5.588 -5.848 1.00 0.70 H new ATOM 0 HB2 ARG A 49 -23.597 -7.451 -4.400 1.00 0.97 H new ATOM 0 HB3 ARG A 49 -22.950 -8.034 -5.921 1.00 0.97 H new ATOM 0 HG2 ARG A 49 -20.784 -8.549 -4.779 1.00 1.10 H new ATOM 0 HG3 ARG A 49 -21.472 -8.011 -3.260 1.00 1.10 H new ATOM 0 HD2 ARG A 49 -21.595 -10.470 -3.499 1.00 1.54 H new ATOM 0 HD3 ARG A 49 -23.187 -9.751 -3.357 1.00 1.54 H new ATOM 0 HE ARG A 49 -22.024 -10.461 -6.032 1.00 2.02 H new ATOM 0 HH11 ARG A 49 -24.597 -10.675 -3.612 1.00 3.06 H new ATOM 0 HH12 ARG A 49 -25.726 -11.463 -4.719 1.00 3.06 H new ATOM 0 HH21 ARG A 49 -23.508 -11.434 -7.453 1.00 3.24 H new ATOM 0 HH22 ARG A 49 -25.115 -11.890 -6.875 1.00 3.24 H new ATOM 1443 N THR A 50 -21.454 -4.161 -4.100 1.00 0.55 N ATOM 1444 CA THR A 50 -21.151 -3.368 -2.929 1.00 0.50 C ATOM 1445 C THR A 50 -22.135 -2.239 -2.702 1.00 0.50 C ATOM 1446 O THR A 50 -22.221 -1.286 -3.477 1.00 0.56 O ATOM 1447 CB THR A 50 -19.741 -2.800 -2.999 1.00 0.54 C ATOM 1448 OG1 THR A 50 -19.361 -2.616 -4.368 1.00 0.91 O ATOM 1449 CG2 THR A 50 -18.771 -3.722 -2.290 1.00 0.51 C ATOM 0 H THR A 50 -21.311 -3.684 -4.990 1.00 0.55 H new ATOM 0 HA THR A 50 -21.232 -4.051 -2.084 1.00 0.50 H new ATOM 0 HB THR A 50 -19.717 -1.832 -2.498 1.00 0.54 H new ATOM 0 HG1 THR A 50 -19.562 -1.697 -4.643 1.00 0.91 H new ATOM 0 HG21 THR A 50 -17.765 -3.305 -2.347 1.00 0.51 H new ATOM 0 HG22 THR A 50 -19.063 -3.824 -1.245 1.00 0.51 H new ATOM 0 HG23 THR A 50 -18.785 -4.702 -2.768 1.00 0.51 H new ATOM 1457 N ASP A 51 -22.871 -2.367 -1.624 1.00 0.49 N ATOM 1458 CA ASP A 51 -23.698 -1.291 -1.121 1.00 0.51 C ATOM 1459 C ASP A 51 -22.947 -0.659 0.047 1.00 0.44 C ATOM 1460 O ASP A 51 -21.752 -0.906 0.209 1.00 0.43 O ATOM 1461 CB ASP A 51 -25.069 -1.833 -0.682 1.00 0.60 C ATOM 1462 CG ASP A 51 -26.080 -0.738 -0.392 1.00 1.15 C ATOM 1463 OD1 ASP A 51 -26.685 -0.215 -1.348 1.00 1.94 O ATOM 1464 OD2 ASP A 51 -26.263 -0.389 0.791 1.00 1.72 O ATOM 0 H ASP A 51 -22.915 -3.221 -1.068 1.00 0.49 H new ATOM 0 HA ASP A 51 -23.887 -0.544 -1.892 1.00 0.51 H new ATOM 0 HB2 ASP A 51 -25.462 -2.484 -1.463 1.00 0.60 H new ATOM 0 HB3 ASP A 51 -24.941 -2.446 0.210 1.00 0.60 H new ATOM 1469 N GLU A 52 -23.619 0.119 0.871 1.00 0.47 N ATOM 1470 CA GLU A 52 -22.970 0.740 2.014 1.00 0.46 C ATOM 1471 C GLU A 52 -22.728 -0.305 3.106 1.00 0.46 C ATOM 1472 O GLU A 52 -22.133 -0.014 4.142 1.00 0.46 O ATOM 1473 CB GLU A 52 -23.821 1.892 2.554 1.00 0.49 C ATOM 1474 CG GLU A 52 -24.249 2.893 1.487 1.00 0.52 C ATOM 1475 CD GLU A 52 -23.086 3.524 0.753 1.00 0.71 C ATOM 1476 OE1 GLU A 52 -22.539 4.527 1.249 1.00 1.27 O ATOM 1477 OE2 GLU A 52 -22.744 3.036 -0.345 1.00 1.44 O ATOM 0 H GLU A 52 -24.611 0.337 0.774 1.00 0.47 H new ATOM 0 HA GLU A 52 -22.010 1.146 1.696 1.00 0.46 H new ATOM 0 HB2 GLU A 52 -24.711 1.481 3.032 1.00 0.49 H new ATOM 0 HB3 GLU A 52 -23.258 2.416 3.326 1.00 0.49 H new ATOM 0 HG2 GLU A 52 -24.894 2.391 0.766 1.00 0.52 H new ATOM 0 HG3 GLU A 52 -24.843 3.678 1.954 1.00 0.52 H new ATOM 1484 N ALA A 53 -23.191 -1.526 2.851 1.00 0.52 N ATOM 1485 CA ALA A 53 -23.036 -2.630 3.786 1.00 0.58 C ATOM 1486 C ALA A 53 -21.619 -3.199 3.745 1.00 0.57 C ATOM 1487 O ALA A 53 -20.942 -3.264 4.771 1.00 0.68 O ATOM 1488 CB ALA A 53 -24.055 -3.713 3.486 1.00 0.65 C ATOM 0 H ALA A 53 -23.682 -1.775 1.992 1.00 0.52 H new ATOM 0 HA ALA A 53 -23.209 -2.250 4.793 1.00 0.58 H new ATOM 0 HB1 ALA A 53 -23.931 -4.535 4.191 1.00 0.65 H new ATOM 0 HB2 ALA A 53 -25.060 -3.303 3.580 1.00 0.65 H new ATOM 0 HB3 ALA A 53 -23.907 -4.081 2.471 1.00 0.65 H new ATOM 1494 N ALA A 54 -21.159 -3.605 2.559 1.00 0.49 N ATOM 1495 CA ALA A 54 -19.795 -4.108 2.410 1.00 0.50 C ATOM 1496 C ALA A 54 -18.795 -2.993 2.702 1.00 0.45 C ATOM 1497 O ALA A 54 -17.704 -3.234 3.224 1.00 0.52 O ATOM 1498 CB ALA A 54 -19.562 -4.679 1.015 1.00 0.49 C ATOM 0 H ALA A 54 -21.705 -3.595 1.698 1.00 0.49 H new ATOM 0 HA ALA A 54 -19.650 -4.916 3.127 1.00 0.50 H new ATOM 0 HB1 ALA A 54 -18.538 -5.044 0.938 1.00 0.49 H new ATOM 0 HB2 ALA A 54 -20.255 -5.502 0.838 1.00 0.49 H new ATOM 0 HB3 ALA A 54 -19.726 -3.900 0.271 1.00 0.49 H new ATOM 1504 N PHE A 55 -19.197 -1.767 2.382 1.00 0.36 N ATOM 1505 CA PHE A 55 -18.364 -0.594 2.617 1.00 0.32 C ATOM 1506 C PHE A 55 -18.349 -0.200 4.090 1.00 0.34 C ATOM 1507 O PHE A 55 -17.463 0.530 4.527 1.00 0.34 O ATOM 1508 CB PHE A 55 -18.842 0.582 1.764 1.00 0.31 C ATOM 1509 CG PHE A 55 -18.285 0.568 0.371 1.00 0.28 C ATOM 1510 CD1 PHE A 55 -17.073 1.177 0.102 1.00 1.20 C ATOM 1511 CD2 PHE A 55 -18.966 -0.051 -0.666 1.00 1.20 C ATOM 1512 CE1 PHE A 55 -16.547 1.168 -1.174 1.00 1.20 C ATOM 1513 CE2 PHE A 55 -18.442 -0.058 -1.943 1.00 1.21 C ATOM 1514 CZ PHE A 55 -17.232 0.549 -2.198 1.00 0.31 C ATOM 0 H PHE A 55 -20.101 -1.560 1.957 1.00 0.36 H new ATOM 0 HA PHE A 55 -17.345 -0.853 2.329 1.00 0.32 H new ATOM 0 HB2 PHE A 55 -19.931 0.566 1.713 1.00 0.31 H new ATOM 0 HB3 PHE A 55 -18.559 1.515 2.252 1.00 0.31 H new ATOM 0 HD1 PHE A 55 -16.532 1.665 0.899 1.00 1.20 H new ATOM 0 HD2 PHE A 55 -19.914 -0.531 -0.473 1.00 1.20 H new ATOM 0 HE1 PHE A 55 -15.599 1.646 -1.370 1.00 1.20 H new ATOM 0 HE2 PHE A 55 -18.982 -0.541 -2.744 1.00 1.21 H new ATOM 0 HZ PHE A 55 -16.821 0.540 -3.197 1.00 0.31 H new ATOM 1524 N GLN A 56 -19.322 -0.690 4.850 1.00 0.37 N ATOM 1525 CA GLN A 56 -19.409 -0.384 6.274 1.00 0.40 C ATOM 1526 C GLN A 56 -18.174 -0.892 7.013 1.00 0.37 C ATOM 1527 O GLN A 56 -17.536 -0.147 7.751 1.00 0.42 O ATOM 1528 CB GLN A 56 -20.676 -0.994 6.875 1.00 0.46 C ATOM 1529 CG GLN A 56 -20.760 -0.874 8.388 1.00 0.58 C ATOM 1530 CD GLN A 56 -22.025 -1.491 8.948 1.00 0.68 C ATOM 1531 OE1 GLN A 56 -22.068 -2.685 9.247 1.00 1.42 O ATOM 1532 NE2 GLN A 56 -23.057 -0.682 9.103 1.00 1.00 N ATOM 0 H GLN A 56 -20.062 -1.301 4.504 1.00 0.37 H new ATOM 0 HA GLN A 56 -19.455 0.699 6.388 1.00 0.40 H new ATOM 0 HB2 GLN A 56 -21.546 -0.508 6.433 1.00 0.46 H new ATOM 0 HB3 GLN A 56 -20.725 -2.048 6.601 1.00 0.46 H new ATOM 0 HG2 GLN A 56 -19.893 -1.359 8.837 1.00 0.58 H new ATOM 0 HG3 GLN A 56 -20.717 0.178 8.669 1.00 0.58 H new ATOM 0 HE21 GLN A 56 -22.978 0.301 8.842 1.00 1.00 H new ATOM 0 HE22 GLN A 56 -23.933 -1.040 9.484 1.00 1.00 H new ATOM 1541 N LYS A 57 -17.828 -2.157 6.793 1.00 0.34 N ATOM 1542 CA LYS A 57 -16.657 -2.740 7.433 1.00 0.35 C ATOM 1543 C LYS A 57 -15.396 -2.140 6.847 1.00 0.29 C ATOM 1544 O LYS A 57 -14.409 -1.942 7.550 1.00 0.34 O ATOM 1545 CB LYS A 57 -16.636 -4.259 7.265 1.00 0.47 C ATOM 1546 CG LYS A 57 -17.017 -5.041 8.518 1.00 0.85 C ATOM 1547 CD LYS A 57 -15.869 -5.128 9.524 1.00 0.57 C ATOM 1548 CE LYS A 57 -15.806 -3.919 10.447 1.00 0.63 C ATOM 1549 NZ LYS A 57 -14.775 -4.087 11.505 1.00 0.92 N ATOM 0 H LYS A 57 -18.339 -2.793 6.181 1.00 0.34 H new ATOM 0 HA LYS A 57 -16.705 -2.515 8.499 1.00 0.35 H new ATOM 0 HB2 LYS A 57 -17.319 -4.532 6.460 1.00 0.47 H new ATOM 0 HB3 LYS A 57 -15.637 -4.563 6.952 1.00 0.47 H new ATOM 0 HG2 LYS A 57 -17.876 -4.566 8.992 1.00 0.85 H new ATOM 0 HG3 LYS A 57 -17.325 -6.047 8.235 1.00 0.85 H new ATOM 0 HD2 LYS A 57 -15.983 -6.032 10.123 1.00 0.57 H new ATOM 0 HD3 LYS A 57 -14.925 -5.219 8.986 1.00 0.57 H new ATOM 0 HE2 LYS A 57 -15.585 -3.026 9.862 1.00 0.63 H new ATOM 0 HE3 LYS A 57 -16.780 -3.764 10.910 1.00 0.63 H new ATOM 0 HZ1 LYS A 57 -15.074 -3.583 12.364 1.00 0.92 H new ATOM 0 HZ2 LYS A 57 -14.659 -5.098 11.720 1.00 0.92 H new ATOM 0 HZ3 LYS A 57 -13.870 -3.698 11.172 1.00 0.92 H new ATOM 1563 N LEU A 58 -15.445 -1.853 5.556 1.00 0.24 N ATOM 1564 CA LEU A 58 -14.332 -1.216 4.864 1.00 0.20 C ATOM 1565 C LEU A 58 -13.983 0.122 5.515 1.00 0.20 C ATOM 1566 O LEU A 58 -12.932 0.256 6.144 1.00 0.22 O ATOM 1567 CB LEU A 58 -14.677 -1.015 3.388 1.00 0.20 C ATOM 1568 CG LEU A 58 -13.628 -0.260 2.576 1.00 0.19 C ATOM 1569 CD1 LEU A 58 -12.249 -0.842 2.826 1.00 0.20 C ATOM 1570 CD2 LEU A 58 -13.976 -0.301 1.096 1.00 0.23 C ATOM 0 H LEU A 58 -16.249 -2.052 4.961 1.00 0.24 H new ATOM 0 HA LEU A 58 -13.461 -1.868 4.938 1.00 0.20 H new ATOM 0 HB2 LEU A 58 -14.834 -1.992 2.931 1.00 0.20 H new ATOM 0 HB3 LEU A 58 -15.622 -0.477 3.322 1.00 0.20 H new ATOM 0 HG LEU A 58 -13.620 0.782 2.894 1.00 0.19 H new ATOM 0 HD11 LEU A 58 -11.511 -0.294 2.240 1.00 0.20 H new ATOM 0 HD12 LEU A 58 -12.006 -0.759 3.885 1.00 0.20 H new ATOM 0 HD13 LEU A 58 -12.238 -1.892 2.532 1.00 0.20 H new ATOM 0 HD21 LEU A 58 -13.219 0.241 0.529 1.00 0.23 H new ATOM 0 HD22 LEU A 58 -14.009 -1.337 0.759 1.00 0.23 H new ATOM 0 HD23 LEU A 58 -14.950 0.163 0.938 1.00 0.23 H new ATOM 1582 N MET A 59 -14.872 1.095 5.343 1.00 0.21 N ATOM 1583 CA MET A 59 -14.773 2.399 5.986 1.00 0.26 C ATOM 1584 C MET A 59 -14.360 2.276 7.449 1.00 0.27 C ATOM 1585 O MET A 59 -13.476 2.986 7.914 1.00 0.33 O ATOM 1586 CB MET A 59 -16.130 3.096 5.907 1.00 0.36 C ATOM 1587 CG MET A 59 -16.016 4.597 5.914 1.00 0.34 C ATOM 1588 SD MET A 59 -15.144 5.186 4.460 1.00 0.72 S ATOM 1589 CE MET A 59 -14.625 6.785 5.033 1.00 0.32 C ATOM 0 H MET A 59 -15.692 0.998 4.745 1.00 0.21 H new ATOM 0 HA MET A 59 -14.009 2.978 5.466 1.00 0.26 H new ATOM 0 HB2 MET A 59 -16.644 2.779 4.999 1.00 0.36 H new ATOM 0 HB3 MET A 59 -16.746 2.779 6.749 1.00 0.36 H new ATOM 0 HG2 MET A 59 -17.011 5.040 5.949 1.00 0.34 H new ATOM 0 HG3 MET A 59 -15.491 4.921 6.813 1.00 0.34 H new ATOM 0 HE1 MET A 59 -13.921 7.216 4.321 1.00 0.32 H new ATOM 0 HE2 MET A 59 -15.493 7.438 5.125 1.00 0.32 H new ATOM 0 HE3 MET A 59 -14.142 6.684 6.005 1.00 0.32 H new ATOM 1599 N SER A 60 -15.012 1.363 8.155 1.00 0.28 N ATOM 1600 CA SER A 60 -14.771 1.151 9.577 1.00 0.35 C ATOM 1601 C SER A 60 -13.328 0.738 9.855 1.00 0.32 C ATOM 1602 O SER A 60 -12.668 1.309 10.721 1.00 0.36 O ATOM 1603 CB SER A 60 -15.703 0.061 10.088 1.00 0.41 C ATOM 1604 OG SER A 60 -15.658 -0.050 11.498 1.00 0.64 O ATOM 0 H SER A 60 -15.723 0.748 7.759 1.00 0.28 H new ATOM 0 HA SER A 60 -14.959 2.094 10.090 1.00 0.35 H new ATOM 0 HB2 SER A 60 -16.724 0.278 9.773 1.00 0.41 H new ATOM 0 HB3 SER A 60 -15.427 -0.893 9.639 1.00 0.41 H new ATOM 0 HG SER A 60 -16.270 -0.758 11.790 1.00 0.64 H new ATOM 1610 N ASN A 61 -12.856 -0.273 9.136 1.00 0.30 N ATOM 1611 CA ASN A 61 -11.515 -0.808 9.350 1.00 0.31 C ATOM 1612 C ASN A 61 -10.460 0.185 8.898 1.00 0.31 C ATOM 1613 O ASN A 61 -9.345 0.209 9.419 1.00 0.39 O ATOM 1614 CB ASN A 61 -11.332 -2.127 8.606 1.00 0.34 C ATOM 1615 CG ASN A 61 -12.106 -3.271 9.223 1.00 0.43 C ATOM 1616 OD1 ASN A 61 -12.410 -3.266 10.414 1.00 0.95 O ATOM 1617 ND2 ASN A 61 -12.417 -4.270 8.415 1.00 0.57 N ATOM 0 H ASN A 61 -13.382 -0.740 8.398 1.00 0.30 H new ATOM 0 HA ASN A 61 -11.396 -0.987 10.419 1.00 0.31 H new ATOM 0 HB2 ASN A 61 -11.648 -2.000 7.571 1.00 0.34 H new ATOM 0 HB3 ASN A 61 -10.272 -2.382 8.587 1.00 0.34 H new ATOM 0 HD21 ASN A 61 -12.928 -5.076 8.774 1.00 0.57 H new ATOM 0 HD22 ASN A 61 -12.146 -4.235 7.432 1.00 0.57 H new ATOM 1624 N LEU A 62 -10.825 0.990 7.915 1.00 0.30 N ATOM 1625 CA LEU A 62 -9.951 2.051 7.424 1.00 0.33 C ATOM 1626 C LEU A 62 -9.830 3.155 8.452 1.00 0.33 C ATOM 1627 O LEU A 62 -8.739 3.635 8.744 1.00 0.38 O ATOM 1628 CB LEU A 62 -10.496 2.639 6.123 1.00 0.37 C ATOM 1629 CG LEU A 62 -9.871 2.093 4.845 1.00 0.24 C ATOM 1630 CD1 LEU A 62 -9.891 0.580 4.850 1.00 0.52 C ATOM 1631 CD2 LEU A 62 -10.606 2.631 3.630 1.00 0.28 C ATOM 0 H LEU A 62 -11.724 0.931 7.437 1.00 0.30 H new ATOM 0 HA LEU A 62 -8.969 1.616 7.240 1.00 0.33 H new ATOM 0 HB2 LEU A 62 -11.571 2.461 6.086 1.00 0.37 H new ATOM 0 HB3 LEU A 62 -10.352 3.719 6.144 1.00 0.37 H new ATOM 0 HG LEU A 62 -8.833 2.422 4.797 1.00 0.24 H new ATOM 0 HD11 LEU A 62 -9.441 0.207 3.930 1.00 0.52 H new ATOM 0 HD12 LEU A 62 -9.326 0.211 5.706 1.00 0.52 H new ATOM 0 HD13 LEU A 62 -10.921 0.230 4.918 1.00 0.52 H new ATOM 0 HD21 LEU A 62 -10.150 2.234 2.723 1.00 0.28 H new ATOM 0 HD22 LEU A 62 -11.652 2.327 3.673 1.00 0.28 H new ATOM 0 HD23 LEU A 62 -10.545 3.719 3.620 1.00 0.28 H new ATOM 1643 N ASP A 63 -10.975 3.544 8.983 1.00 0.37 N ATOM 1644 CA ASP A 63 -11.068 4.613 9.959 1.00 0.43 C ATOM 1645 C ASP A 63 -10.381 4.217 11.263 1.00 0.38 C ATOM 1646 O ASP A 63 -11.002 3.657 12.166 1.00 0.43 O ATOM 1647 CB ASP A 63 -12.545 4.935 10.191 1.00 0.56 C ATOM 1648 CG ASP A 63 -12.768 6.099 11.120 1.00 0.85 C ATOM 1649 OD1 ASP A 63 -11.954 7.043 11.120 1.00 1.35 O ATOM 1650 OD2 ASP A 63 -13.786 6.096 11.839 1.00 1.56 O ATOM 0 H ASP A 63 -11.873 3.123 8.747 1.00 0.37 H new ATOM 0 HA ASP A 63 -10.558 5.500 9.583 1.00 0.43 H new ATOM 0 HB2 ASP A 63 -13.017 5.150 9.232 1.00 0.56 H new ATOM 0 HB3 ASP A 63 -13.041 4.054 10.599 1.00 0.56 H new ATOM 1655 N SER A 64 -9.089 4.496 11.342 1.00 0.37 N ATOM 1656 CA SER A 64 -8.285 4.088 12.477 1.00 0.41 C ATOM 1657 C SER A 64 -8.295 5.168 13.551 1.00 0.52 C ATOM 1658 O SER A 64 -8.127 4.883 14.737 1.00 0.64 O ATOM 1659 CB SER A 64 -6.849 3.793 12.030 1.00 0.45 C ATOM 1660 OG SER A 64 -6.157 4.985 11.704 1.00 0.58 O ATOM 0 H SER A 64 -8.574 5.008 10.626 1.00 0.37 H new ATOM 0 HA SER A 64 -8.713 3.178 12.898 1.00 0.41 H new ATOM 0 HB2 SER A 64 -6.319 3.268 12.825 1.00 0.45 H new ATOM 0 HB3 SER A 64 -6.864 3.130 11.165 1.00 0.45 H new ATOM 0 HG SER A 64 -6.795 5.657 11.384 1.00 0.58 H new ATOM 1666 N ASN A 65 -8.497 6.413 13.134 1.00 0.60 N ATOM 1667 CA ASN A 65 -8.588 7.518 14.078 1.00 0.83 C ATOM 1668 C ASN A 65 -10.024 7.666 14.569 1.00 0.89 C ATOM 1669 O ASN A 65 -10.293 8.398 15.523 1.00 1.10 O ATOM 1670 CB ASN A 65 -8.085 8.828 13.452 1.00 0.95 C ATOM 1671 CG ASN A 65 -8.972 9.347 12.334 1.00 0.99 C ATOM 1672 OD1 ASN A 65 -8.825 8.953 11.178 1.00 1.52 O ATOM 1673 ND2 ASN A 65 -9.872 10.262 12.662 1.00 1.44 N ATOM 0 H ASN A 65 -8.600 6.680 12.155 1.00 0.60 H new ATOM 0 HA ASN A 65 -7.946 7.296 14.931 1.00 0.83 H new ATOM 0 HB2 ASN A 65 -8.013 9.588 14.230 1.00 0.95 H new ATOM 0 HB3 ASN A 65 -7.079 8.672 13.064 1.00 0.95 H new ATOM 0 HD21 ASN A 65 -10.474 10.666 11.944 1.00 1.44 H new ATOM 0 HD22 ASN A 65 -9.963 10.563 13.632 1.00 1.44 H new ATOM 1680 N ARG A 66 -10.934 6.955 13.904 1.00 0.79 N ATOM 1681 CA ARG A 66 -12.343 6.887 14.297 1.00 0.98 C ATOM 1682 C ARG A 66 -13.056 8.232 14.153 1.00 1.05 C ATOM 1683 O ARG A 66 -13.533 8.805 15.135 1.00 1.34 O ATOM 1684 CB ARG A 66 -12.505 6.338 15.723 1.00 1.26 C ATOM 1685 CG ARG A 66 -12.555 4.816 15.798 1.00 1.46 C ATOM 1686 CD ARG A 66 -11.243 4.173 15.376 1.00 1.25 C ATOM 1687 NE ARG A 66 -11.371 2.724 15.223 1.00 1.91 N ATOM 1688 CZ ARG A 66 -10.346 1.888 15.063 1.00 2.60 C ATOM 1689 NH1 ARG A 66 -9.099 2.335 15.116 1.00 2.85 N ATOM 1690 NH2 ARG A 66 -10.576 0.594 14.874 1.00 3.45 N ATOM 0 H ARG A 66 -10.714 6.407 13.073 1.00 0.79 H new ATOM 0 HA ARG A 66 -12.820 6.192 13.606 1.00 0.98 H new ATOM 0 HB2 ARG A 66 -11.677 6.695 16.335 1.00 1.26 H new ATOM 0 HB3 ARG A 66 -13.419 6.743 16.156 1.00 1.26 H new ATOM 0 HG2 ARG A 66 -12.794 4.513 16.817 1.00 1.46 H new ATOM 0 HG3 ARG A 66 -13.359 4.449 15.159 1.00 1.46 H new ATOM 0 HD2 ARG A 66 -10.911 4.610 14.434 1.00 1.25 H new ATOM 0 HD3 ARG A 66 -10.475 4.393 16.118 1.00 1.25 H new ATOM 0 HE ARG A 66 -12.310 2.326 15.240 1.00 1.91 H new ATOM 0 HH11 ARG A 66 -8.919 3.325 15.280 1.00 2.85 H new ATOM 0 HH12 ARG A 66 -8.320 1.688 14.993 1.00 2.85 H new ATOM 0 HH21 ARG A 66 -11.534 0.244 14.852 1.00 3.45 H new ATOM 0 HH22 ARG A 66 -9.795 -0.050 14.751 1.00 3.45 H new ATOM 1704 N ASP A 67 -13.101 8.744 12.928 1.00 0.86 N ATOM 1705 CA ASP A 67 -13.893 9.937 12.624 1.00 1.00 C ATOM 1706 C ASP A 67 -14.736 9.715 11.362 1.00 0.88 C ATOM 1707 O ASP A 67 -15.602 10.526 11.025 1.00 0.94 O ATOM 1708 CB ASP A 67 -12.992 11.163 12.465 1.00 1.13 C ATOM 1709 CG ASP A 67 -13.768 12.464 12.553 1.00 1.57 C ATOM 1710 OD1 ASP A 67 -14.498 12.659 13.550 1.00 2.02 O ATOM 1711 OD2 ASP A 67 -13.627 13.310 11.650 1.00 2.08 O ATOM 0 H ASP A 67 -12.601 8.355 12.129 1.00 0.86 H new ATOM 0 HA ASP A 67 -14.568 10.121 13.460 1.00 1.00 H new ATOM 0 HB2 ASP A 67 -12.223 11.148 13.237 1.00 1.13 H new ATOM 0 HB3 ASP A 67 -12.480 11.112 11.504 1.00 1.13 H new ATOM 1716 N ASN A 68 -14.461 8.599 10.677 1.00 0.77 N ATOM 1717 CA ASN A 68 -15.194 8.176 9.471 1.00 0.74 C ATOM 1718 C ASN A 68 -14.836 9.007 8.240 1.00 0.65 C ATOM 1719 O ASN A 68 -15.643 9.162 7.325 1.00 0.66 O ATOM 1720 CB ASN A 68 -16.709 8.178 9.700 1.00 0.92 C ATOM 1721 CG ASN A 68 -17.234 6.830 10.143 1.00 1.13 C ATOM 1722 OD1 ASN A 68 -18.398 6.495 9.927 1.00 1.54 O ATOM 1723 ND2 ASN A 68 -16.371 6.043 10.739 1.00 1.75 N ATOM 0 H ASN A 68 -13.716 7.955 10.944 1.00 0.77 H new ATOM 0 HA ASN A 68 -14.878 7.152 9.271 1.00 0.74 H new ATOM 0 HB2 ASN A 68 -16.958 8.926 10.453 1.00 0.92 H new ATOM 0 HB3 ASN A 68 -17.211 8.474 8.779 1.00 0.92 H new ATOM 0 HD21 ASN A 68 -16.655 5.112 11.044 1.00 1.75 H new ATOM 0 HD22 ASN A 68 -15.415 6.362 10.898 1.00 1.75 H new ATOM 1730 N GLU A 69 -13.611 9.500 8.201 1.00 0.64 N ATOM 1731 CA GLU A 69 -13.091 10.196 7.033 1.00 0.63 C ATOM 1732 C GLU A 69 -11.713 9.656 6.702 1.00 0.54 C ATOM 1733 O GLU A 69 -10.745 9.937 7.412 1.00 0.65 O ATOM 1734 CB GLU A 69 -12.987 11.706 7.262 1.00 0.82 C ATOM 1735 CG GLU A 69 -14.320 12.427 7.343 1.00 0.95 C ATOM 1736 CD GLU A 69 -14.154 13.931 7.257 1.00 1.13 C ATOM 1737 OE1 GLU A 69 -13.841 14.562 8.284 1.00 1.65 O ATOM 1738 OE2 GLU A 69 -14.324 14.489 6.157 1.00 1.59 O ATOM 0 H GLU A 69 -12.949 9.431 8.974 1.00 0.64 H new ATOM 0 HA GLU A 69 -13.785 10.025 6.210 1.00 0.63 H new ATOM 0 HB2 GLU A 69 -12.437 11.883 8.186 1.00 0.82 H new ATOM 0 HB3 GLU A 69 -12.401 12.143 6.453 1.00 0.82 H new ATOM 0 HG2 GLU A 69 -14.967 12.086 6.535 1.00 0.95 H new ATOM 0 HG3 GLU A 69 -14.816 12.169 8.279 1.00 0.95 H new ATOM 1745 N VAL A 70 -11.618 8.879 5.636 1.00 0.40 N ATOM 1746 CA VAL A 70 -10.354 8.272 5.273 1.00 0.31 C ATOM 1747 C VAL A 70 -9.380 9.318 4.772 1.00 0.33 C ATOM 1748 O VAL A 70 -9.489 9.821 3.649 1.00 0.39 O ATOM 1749 CB VAL A 70 -10.516 7.155 4.223 1.00 0.28 C ATOM 1750 CG1 VAL A 70 -9.167 6.672 3.714 1.00 0.32 C ATOM 1751 CG2 VAL A 70 -11.293 5.996 4.818 1.00 0.29 C ATOM 0 H VAL A 70 -12.395 8.657 5.013 1.00 0.40 H new ATOM 0 HA VAL A 70 -9.956 7.814 6.178 1.00 0.31 H new ATOM 0 HB VAL A 70 -11.066 7.564 3.376 1.00 0.28 H new ATOM 0 HG11 VAL A 70 -9.317 5.885 2.975 1.00 0.32 H new ATOM 0 HG12 VAL A 70 -8.633 7.503 3.254 1.00 0.32 H new ATOM 0 HG13 VAL A 70 -8.583 6.281 4.547 1.00 0.32 H new ATOM 0 HG21 VAL A 70 -11.404 5.210 4.071 1.00 0.29 H new ATOM 0 HG22 VAL A 70 -10.756 5.603 5.681 1.00 0.29 H new ATOM 0 HG23 VAL A 70 -12.279 6.341 5.131 1.00 0.29 H new ATOM 1761 N ASP A 71 -8.470 9.679 5.652 1.00 0.36 N ATOM 1762 CA ASP A 71 -7.339 10.506 5.300 1.00 0.40 C ATOM 1763 C ASP A 71 -6.330 9.627 4.574 1.00 0.32 C ATOM 1764 O ASP A 71 -6.548 8.420 4.458 1.00 0.29 O ATOM 1765 CB ASP A 71 -6.741 11.108 6.573 1.00 0.49 C ATOM 1766 CG ASP A 71 -5.706 12.169 6.290 1.00 0.61 C ATOM 1767 OD1 ASP A 71 -6.101 13.324 6.030 1.00 1.32 O ATOM 1768 OD2 ASP A 71 -4.503 11.850 6.350 1.00 1.22 O ATOM 0 H ASP A 71 -8.495 9.405 6.634 1.00 0.36 H new ATOM 0 HA ASP A 71 -7.634 11.329 4.649 1.00 0.40 H new ATOM 0 HB2 ASP A 71 -7.541 11.539 7.176 1.00 0.49 H new ATOM 0 HB3 ASP A 71 -6.287 10.314 7.166 1.00 0.49 H new ATOM 1773 N PHE A 72 -5.229 10.188 4.101 1.00 0.36 N ATOM 1774 CA PHE A 72 -4.285 9.398 3.327 1.00 0.36 C ATOM 1775 C PHE A 72 -3.706 8.280 4.182 1.00 0.30 C ATOM 1776 O PHE A 72 -3.378 7.200 3.686 1.00 0.39 O ATOM 1777 CB PHE A 72 -3.160 10.259 2.760 1.00 0.51 C ATOM 1778 CG PHE A 72 -2.412 9.574 1.653 1.00 0.58 C ATOM 1779 CD1 PHE A 72 -3.039 8.611 0.872 1.00 1.38 C ATOM 1780 CD2 PHE A 72 -1.098 9.889 1.384 1.00 1.26 C ATOM 1781 CE1 PHE A 72 -2.370 7.977 -0.143 1.00 1.46 C ATOM 1782 CE2 PHE A 72 -0.419 9.253 0.368 1.00 1.29 C ATOM 1783 CZ PHE A 72 -1.054 8.296 -0.394 1.00 0.78 C ATOM 0 H PHE A 72 -4.970 11.165 4.235 1.00 0.36 H new ATOM 0 HA PHE A 72 -4.829 8.965 2.488 1.00 0.36 H new ATOM 0 HB2 PHE A 72 -3.576 11.195 2.388 1.00 0.51 H new ATOM 0 HB3 PHE A 72 -2.465 10.515 3.560 1.00 0.51 H new ATOM 0 HD1 PHE A 72 -4.070 8.358 1.068 1.00 1.38 H new ATOM 0 HD2 PHE A 72 -0.596 10.641 1.975 1.00 1.26 H new ATOM 0 HE1 PHE A 72 -2.872 7.232 -0.742 1.00 1.46 H new ATOM 0 HE2 PHE A 72 0.612 9.505 0.168 1.00 1.29 H new ATOM 0 HZ PHE A 72 -0.519 7.796 -1.188 1.00 0.78 H new ATOM 1793 N GLN A 73 -3.623 8.546 5.471 1.00 0.30 N ATOM 1794 CA GLN A 73 -3.156 7.566 6.438 1.00 0.41 C ATOM 1795 C GLN A 73 -4.006 6.302 6.361 1.00 0.38 C ATOM 1796 O GLN A 73 -3.478 5.193 6.243 1.00 0.44 O ATOM 1797 CB GLN A 73 -3.217 8.140 7.856 1.00 0.61 C ATOM 1798 CG GLN A 73 -2.364 9.382 8.056 1.00 0.85 C ATOM 1799 CD GLN A 73 -0.883 9.110 7.904 1.00 0.83 C ATOM 1800 OE1 GLN A 73 -0.454 7.918 8.284 1.00 1.20 O flip ATOM 1801 NE2 GLN A 73 -0.125 9.973 7.469 1.00 1.48 N flip ATOM 0 H GLN A 73 -3.877 9.446 5.879 1.00 0.30 H new ATOM 0 HA GLN A 73 -2.121 7.318 6.201 1.00 0.41 H new ATOM 0 HB2 GLN A 73 -4.253 8.380 8.096 1.00 0.61 H new ATOM 0 HB3 GLN A 73 -2.896 7.374 8.562 1.00 0.61 H new ATOM 0 HG2 GLN A 73 -2.664 10.143 7.336 1.00 0.85 H new ATOM 0 HG3 GLN A 73 -2.553 9.791 9.049 1.00 0.85 H new ATOM 0 HE21 GLN A 73 -0.494 10.881 7.186 1.00 1.48 H new ATOM 0 HE22 GLN A 73 0.874 9.782 7.391 1.00 1.48 H new ATOM 1810 N GLU A 74 -5.322 6.479 6.382 1.00 0.34 N ATOM 1811 CA GLU A 74 -6.243 5.356 6.413 1.00 0.37 C ATOM 1812 C GLU A 74 -6.316 4.729 5.026 1.00 0.32 C ATOM 1813 O GLU A 74 -6.716 3.578 4.858 1.00 0.36 O ATOM 1814 CB GLU A 74 -7.643 5.816 6.841 1.00 0.44 C ATOM 1815 CG GLU A 74 -7.662 7.038 7.754 1.00 0.52 C ATOM 1816 CD GLU A 74 -6.996 6.818 9.096 1.00 0.58 C ATOM 1817 OE1 GLU A 74 -7.634 6.242 9.993 1.00 1.29 O ATOM 1818 OE2 GLU A 74 -5.842 7.264 9.271 1.00 1.16 O ATOM 0 H GLU A 74 -5.773 7.394 6.378 1.00 0.34 H new ATOM 0 HA GLU A 74 -5.882 4.624 7.135 1.00 0.37 H new ATOM 0 HB2 GLU A 74 -8.226 6.038 5.947 1.00 0.44 H new ATOM 0 HB3 GLU A 74 -8.142 4.991 7.350 1.00 0.44 H new ATOM 0 HG2 GLU A 74 -7.167 7.865 7.246 1.00 0.52 H new ATOM 0 HG3 GLU A 74 -8.697 7.339 7.919 1.00 0.52 H new ATOM 1825 N TYR A 75 -5.901 5.502 4.036 1.00 0.26 N ATOM 1826 CA TYR A 75 -6.007 5.102 2.644 1.00 0.25 C ATOM 1827 C TYR A 75 -4.873 4.156 2.246 1.00 0.24 C ATOM 1828 O TYR A 75 -5.098 3.155 1.568 1.00 0.28 O ATOM 1829 CB TYR A 75 -5.994 6.344 1.755 1.00 0.25 C ATOM 1830 CG TYR A 75 -6.381 6.063 0.329 1.00 0.26 C ATOM 1831 CD1 TYR A 75 -5.508 5.410 -0.529 1.00 1.17 C ATOM 1832 CD2 TYR A 75 -7.624 6.441 -0.152 1.00 1.27 C ATOM 1833 CE1 TYR A 75 -5.857 5.136 -1.834 1.00 1.17 C ATOM 1834 CE2 TYR A 75 -7.985 6.169 -1.462 1.00 1.30 C ATOM 1835 CZ TYR A 75 -7.093 5.515 -2.296 1.00 0.38 C ATOM 1836 OH TYR A 75 -7.436 5.245 -3.597 1.00 0.47 O ATOM 0 H TYR A 75 -5.482 6.422 4.175 1.00 0.26 H new ATOM 0 HA TYR A 75 -6.946 4.565 2.511 1.00 0.25 H new ATOM 0 HB2 TYR A 75 -6.677 7.085 2.170 1.00 0.25 H new ATOM 0 HB3 TYR A 75 -4.997 6.784 1.773 1.00 0.25 H new ATOM 0 HD1 TYR A 75 -4.536 5.110 -0.167 1.00 1.17 H new ATOM 0 HD2 TYR A 75 -8.317 6.952 0.499 1.00 1.27 H new ATOM 0 HE1 TYR A 75 -5.164 4.627 -2.488 1.00 1.17 H new ATOM 0 HE2 TYR A 75 -8.956 6.465 -1.831 1.00 1.30 H new ATOM 0 HH TYR A 75 -6.977 4.432 -3.894 1.00 0.47 H new ATOM 1846 N CYS A 76 -3.656 4.479 2.651 1.00 0.22 N ATOM 1847 CA CYS A 76 -2.505 3.648 2.320 1.00 0.21 C ATOM 1848 C CYS A 76 -2.636 2.269 2.938 1.00 0.15 C ATOM 1849 O CYS A 76 -2.330 1.260 2.306 1.00 0.17 O ATOM 1850 CB CYS A 76 -1.223 4.322 2.784 1.00 0.27 C ATOM 1851 SG CYS A 76 -0.985 5.973 2.108 1.00 1.65 S ATOM 0 H CYS A 76 -3.438 5.306 3.207 1.00 0.22 H new ATOM 0 HA CYS A 76 -2.467 3.528 1.237 1.00 0.21 H new ATOM 0 HB2 CYS A 76 -1.229 4.382 3.872 1.00 0.27 H new ATOM 0 HB3 CYS A 76 -0.374 3.699 2.504 1.00 0.27 H new ATOM 0 HG CYS A 76 -1.879 6.200 1.191 1.00 1.65 H new ATOM 1857 N VAL A 77 -3.123 2.228 4.164 1.00 0.16 N ATOM 1858 CA VAL A 77 -3.310 0.970 4.850 1.00 0.17 C ATOM 1859 C VAL A 77 -4.532 0.245 4.316 1.00 0.17 C ATOM 1860 O VAL A 77 -4.622 -0.972 4.412 1.00 0.19 O ATOM 1861 CB VAL A 77 -3.408 1.176 6.366 1.00 0.20 C ATOM 1862 CG1 VAL A 77 -2.108 1.765 6.868 1.00 0.23 C ATOM 1863 CG2 VAL A 77 -4.576 2.080 6.729 1.00 0.19 C ATOM 0 H VAL A 77 -3.395 3.051 4.702 1.00 0.16 H new ATOM 0 HA VAL A 77 -2.436 0.347 4.658 1.00 0.17 H new ATOM 0 HB VAL A 77 -3.584 0.211 6.841 1.00 0.20 H new ATOM 0 HG11 VAL A 77 -2.169 1.915 7.946 1.00 0.23 H new ATOM 0 HG12 VAL A 77 -1.288 1.083 6.642 1.00 0.23 H new ATOM 0 HG13 VAL A 77 -1.929 2.722 6.378 1.00 0.23 H new ATOM 0 HG21 VAL A 77 -4.617 2.205 7.811 1.00 0.19 H new ATOM 0 HG22 VAL A 77 -4.444 3.053 6.256 1.00 0.19 H new ATOM 0 HG23 VAL A 77 -5.506 1.631 6.381 1.00 0.19 H new ATOM 1873 N PHE A 78 -5.459 1.002 3.740 1.00 0.20 N ATOM 1874 CA PHE A 78 -6.557 0.425 2.991 1.00 0.22 C ATOM 1875 C PHE A 78 -5.992 -0.477 1.906 1.00 0.19 C ATOM 1876 O PHE A 78 -6.174 -1.687 1.945 1.00 0.18 O ATOM 1877 CB PHE A 78 -7.418 1.554 2.399 1.00 0.30 C ATOM 1878 CG PHE A 78 -8.276 1.183 1.219 1.00 0.22 C ATOM 1879 CD1 PHE A 78 -9.315 0.278 1.337 1.00 1.21 C ATOM 1880 CD2 PHE A 78 -8.041 1.772 -0.011 1.00 1.19 C ATOM 1881 CE1 PHE A 78 -10.106 -0.035 0.246 1.00 1.20 C ATOM 1882 CE2 PHE A 78 -8.824 1.467 -1.104 1.00 1.21 C ATOM 1883 CZ PHE A 78 -9.857 0.561 -0.977 1.00 0.22 C ATOM 0 H PHE A 78 -5.467 2.021 3.781 1.00 0.20 H new ATOM 0 HA PHE A 78 -7.193 -0.176 3.640 1.00 0.22 H new ATOM 0 HB2 PHE A 78 -8.066 1.940 3.186 1.00 0.30 H new ATOM 0 HB3 PHE A 78 -6.758 2.369 2.101 1.00 0.30 H new ATOM 0 HD1 PHE A 78 -9.511 -0.189 2.291 1.00 1.21 H new ATOM 0 HD2 PHE A 78 -7.233 2.481 -0.116 1.00 1.19 H new ATOM 0 HE1 PHE A 78 -10.915 -0.743 0.349 1.00 1.20 H new ATOM 0 HE2 PHE A 78 -8.629 1.936 -2.057 1.00 1.21 H new ATOM 0 HZ PHE A 78 -10.471 0.318 -1.832 1.00 0.22 H new ATOM 1893 N LEU A 79 -5.237 0.118 0.997 1.00 0.20 N ATOM 1894 CA LEU A 79 -4.718 -0.594 -0.159 1.00 0.19 C ATOM 1895 C LEU A 79 -3.693 -1.654 0.191 1.00 0.16 C ATOM 1896 O LEU A 79 -3.795 -2.785 -0.266 1.00 0.18 O ATOM 1897 CB LEU A 79 -4.137 0.389 -1.161 1.00 0.22 C ATOM 1898 CG LEU A 79 -5.190 1.015 -2.052 1.00 0.15 C ATOM 1899 CD1 LEU A 79 -4.544 1.837 -3.155 1.00 0.16 C ATOM 1900 CD2 LEU A 79 -6.067 -0.088 -2.616 1.00 0.16 C ATOM 0 H LEU A 79 -4.968 1.101 1.039 1.00 0.20 H new ATOM 0 HA LEU A 79 -5.564 -1.121 -0.601 1.00 0.19 H new ATOM 0 HB2 LEU A 79 -3.608 1.176 -0.625 1.00 0.22 H new ATOM 0 HB3 LEU A 79 -3.402 -0.124 -1.781 1.00 0.22 H new ATOM 0 HG LEU A 79 -5.809 1.699 -1.471 1.00 0.15 H new ATOM 0 HD11 LEU A 79 -5.319 2.277 -3.782 1.00 0.16 H new ATOM 0 HD12 LEU A 79 -3.942 2.630 -2.712 1.00 0.16 H new ATOM 0 HD13 LEU A 79 -3.907 1.194 -3.762 1.00 0.16 H new ATOM 0 HD21 LEU A 79 -6.831 0.348 -3.260 1.00 0.16 H new ATOM 0 HD22 LEU A 79 -5.455 -0.779 -3.195 1.00 0.16 H new ATOM 0 HD23 LEU A 79 -6.546 -0.626 -1.798 1.00 0.16 H new ATOM 1912 N SER A 80 -2.714 -1.310 0.992 1.00 0.15 N ATOM 1913 CA SER A 80 -1.664 -2.255 1.321 1.00 0.15 C ATOM 1914 C SER A 80 -2.227 -3.486 2.025 1.00 0.15 C ATOM 1915 O SER A 80 -1.674 -4.577 1.941 1.00 0.18 O ATOM 1916 CB SER A 80 -0.607 -1.573 2.162 1.00 0.17 C ATOM 1917 OG SER A 80 0.031 -0.557 1.416 1.00 0.23 O ATOM 0 H SER A 80 -2.618 -0.392 1.427 1.00 0.15 H new ATOM 0 HA SER A 80 -1.202 -2.601 0.396 1.00 0.15 H new ATOM 0 HB2 SER A 80 -1.063 -1.146 3.056 1.00 0.17 H new ATOM 0 HB3 SER A 80 0.129 -2.304 2.497 1.00 0.17 H new ATOM 0 HG SER A 80 1.002 -0.630 1.528 1.00 0.23 H new ATOM 1923 N CYS A 81 -3.338 -3.310 2.711 1.00 0.14 N ATOM 1924 CA CYS A 81 -4.013 -4.426 3.335 1.00 0.15 C ATOM 1925 C CYS A 81 -4.833 -5.213 2.321 1.00 0.14 C ATOM 1926 O CYS A 81 -5.200 -6.361 2.567 1.00 0.16 O ATOM 1927 CB CYS A 81 -4.864 -3.937 4.493 1.00 0.17 C ATOM 1928 SG CYS A 81 -3.874 -3.432 5.911 1.00 0.22 S ATOM 0 H CYS A 81 -3.791 -2.406 2.849 1.00 0.14 H new ATOM 0 HA CYS A 81 -3.263 -5.111 3.732 1.00 0.15 H new ATOM 0 HB2 CYS A 81 -5.474 -3.097 4.162 1.00 0.17 H new ATOM 0 HB3 CYS A 81 -5.549 -4.729 4.796 1.00 0.17 H new ATOM 0 HG CYS A 81 -3.618 -2.160 5.831 1.00 0.22 H new ATOM 1934 N ILE A 82 -5.102 -4.607 1.171 1.00 0.13 N ATOM 1935 CA ILE A 82 -5.776 -5.319 0.098 1.00 0.14 C ATOM 1936 C ILE A 82 -4.747 -6.134 -0.683 1.00 0.17 C ATOM 1937 O ILE A 82 -5.100 -7.062 -1.400 1.00 0.21 O ATOM 1938 CB ILE A 82 -6.551 -4.384 -0.858 1.00 0.15 C ATOM 1939 CG1 ILE A 82 -7.293 -3.315 -0.073 1.00 0.15 C ATOM 1940 CG2 ILE A 82 -7.558 -5.175 -1.675 1.00 0.16 C ATOM 1941 CD1 ILE A 82 -8.065 -2.358 -0.948 1.00 0.18 C ATOM 0 H ILE A 82 -4.867 -3.637 0.961 1.00 0.13 H new ATOM 0 HA ILE A 82 -6.518 -5.974 0.555 1.00 0.14 H new ATOM 0 HB ILE A 82 -5.827 -3.914 -1.523 1.00 0.15 H new ATOM 0 HG12 ILE A 82 -7.981 -3.796 0.622 1.00 0.15 H new ATOM 0 HG13 ILE A 82 -6.577 -2.752 0.526 1.00 0.15 H new ATOM 0 HG21 ILE A 82 -8.095 -4.501 -2.343 1.00 0.16 H new ATOM 0 HG22 ILE A 82 -7.036 -5.930 -2.264 1.00 0.16 H new ATOM 0 HG23 ILE A 82 -8.267 -5.663 -1.006 1.00 0.16 H new ATOM 0 HD11 ILE A 82 -8.571 -1.621 -0.324 1.00 0.18 H new ATOM 0 HD12 ILE A 82 -7.379 -1.850 -1.625 1.00 0.18 H new ATOM 0 HD13 ILE A 82 -8.804 -2.911 -1.528 1.00 0.18 H new ATOM 1953 N ALA A 83 -3.465 -5.776 -0.551 1.00 0.18 N ATOM 1954 CA ALA A 83 -2.392 -6.673 -0.962 1.00 0.23 C ATOM 1955 C ALA A 83 -2.539 -7.991 -0.232 1.00 0.20 C ATOM 1956 O ALA A 83 -2.694 -9.045 -0.842 1.00 0.21 O ATOM 1957 CB ALA A 83 -1.032 -6.078 -0.647 1.00 0.30 C ATOM 0 H ALA A 83 -3.153 -4.884 -0.168 1.00 0.18 H new ATOM 0 HA ALA A 83 -2.462 -6.825 -2.039 1.00 0.23 H new ATOM 0 HB1 ALA A 83 -0.250 -6.768 -0.964 1.00 0.30 H new ATOM 0 HB2 ALA A 83 -0.917 -5.132 -1.176 1.00 0.30 H new ATOM 0 HB3 ALA A 83 -0.950 -5.906 0.426 1.00 0.30 H new ATOM 1963 N MET A 84 -2.513 -7.911 1.094 1.00 0.22 N ATOM 1964 CA MET A 84 -2.714 -9.084 1.938 1.00 0.25 C ATOM 1965 C MET A 84 -4.037 -9.760 1.607 1.00 0.24 C ATOM 1966 O MET A 84 -4.138 -10.987 1.622 1.00 0.28 O ATOM 1967 CB MET A 84 -2.656 -8.703 3.417 1.00 0.30 C ATOM 1968 CG MET A 84 -1.243 -8.434 3.908 1.00 0.34 C ATOM 1969 SD MET A 84 -1.202 -7.771 5.581 1.00 0.36 S ATOM 1970 CE MET A 84 -2.026 -6.208 5.316 1.00 0.20 C ATOM 0 H MET A 84 -2.354 -7.045 1.609 1.00 0.22 H new ATOM 0 HA MET A 84 -1.909 -9.791 1.739 1.00 0.25 H new ATOM 0 HB2 MET A 84 -3.267 -7.815 3.582 1.00 0.30 H new ATOM 0 HB3 MET A 84 -3.094 -9.506 4.010 1.00 0.30 H new ATOM 0 HG2 MET A 84 -0.669 -9.360 3.875 1.00 0.34 H new ATOM 0 HG3 MET A 84 -0.755 -7.732 3.232 1.00 0.34 H new ATOM 0 HE1 MET A 84 -1.900 -5.577 6.196 1.00 0.20 H new ATOM 0 HE2 MET A 84 -1.593 -5.711 4.448 1.00 0.20 H new ATOM 0 HE3 MET A 84 -3.088 -6.381 5.143 1.00 0.20 H new ATOM 1980 N MET A 85 -5.047 -8.950 1.296 1.00 0.25 N ATOM 1981 CA MET A 85 -6.318 -9.467 0.809 1.00 0.36 C ATOM 1982 C MET A 85 -6.093 -10.303 -0.444 1.00 0.33 C ATOM 1983 O MET A 85 -6.457 -11.469 -0.495 1.00 0.43 O ATOM 1984 CB MET A 85 -7.287 -8.339 0.445 1.00 0.62 C ATOM 1985 CG MET A 85 -8.670 -8.857 0.074 1.00 0.77 C ATOM 1986 SD MET A 85 -9.583 -7.737 -0.993 1.00 0.67 S ATOM 1987 CE MET A 85 -10.188 -6.563 0.205 1.00 0.30 C ATOM 0 H MET A 85 -5.007 -7.934 1.374 1.00 0.25 H new ATOM 0 HA MET A 85 -6.747 -10.067 1.612 1.00 0.36 H new ATOM 0 HB2 MET A 85 -7.373 -7.652 1.287 1.00 0.62 H new ATOM 0 HB3 MET A 85 -6.880 -7.769 -0.390 1.00 0.62 H new ATOM 0 HG2 MET A 85 -8.568 -9.821 -0.424 1.00 0.77 H new ATOM 0 HG3 MET A 85 -9.243 -9.028 0.985 1.00 0.77 H new ATOM 0 HE1 MET A 85 -10.956 -5.939 -0.252 1.00 0.30 H new ATOM 0 HE2 MET A 85 -10.613 -7.097 1.055 1.00 0.30 H new ATOM 0 HE3 MET A 85 -9.365 -5.934 0.546 1.00 0.30 H new ATOM 1997 N CYS A 86 -5.454 -9.685 -1.434 1.00 0.32 N ATOM 1998 CA CYS A 86 -5.307 -10.258 -2.769 1.00 0.43 C ATOM 1999 C CYS A 86 -4.513 -11.567 -2.766 1.00 0.43 C ATOM 2000 O CYS A 86 -4.560 -12.317 -3.735 1.00 0.58 O ATOM 2001 CB CYS A 86 -4.644 -9.241 -3.703 1.00 0.49 C ATOM 2002 SG CYS A 86 -4.577 -9.755 -5.436 1.00 0.57 S ATOM 0 H CYS A 86 -5.021 -8.767 -1.332 1.00 0.32 H new ATOM 0 HA CYS A 86 -6.308 -10.495 -3.130 1.00 0.43 H new ATOM 0 HB2 CYS A 86 -5.186 -8.297 -3.637 1.00 0.49 H new ATOM 0 HB3 CYS A 86 -3.629 -9.051 -3.353 1.00 0.49 H new ATOM 0 HG CYS A 86 -4.538 -11.053 -5.503 1.00 0.57 H new ATOM 2008 N ASN A 87 -3.776 -11.843 -1.699 1.00 0.36 N ATOM 2009 CA ASN A 87 -3.030 -13.096 -1.613 1.00 0.44 C ATOM 2010 C ASN A 87 -3.950 -14.236 -1.185 1.00 0.47 C ATOM 2011 O ASN A 87 -3.773 -15.381 -1.599 1.00 0.54 O ATOM 2012 CB ASN A 87 -1.850 -12.966 -0.654 1.00 0.54 C ATOM 2013 CG ASN A 87 -0.979 -14.210 -0.629 1.00 0.72 C ATOM 2014 OD1 ASN A 87 -0.101 -14.385 -1.480 1.00 1.43 O ATOM 2015 ND2 ASN A 87 -1.191 -15.063 0.359 1.00 1.23 N ATOM 0 H ASN A 87 -3.677 -11.228 -0.891 1.00 0.36 H new ATOM 0 HA ASN A 87 -2.634 -13.324 -2.603 1.00 0.44 H new ATOM 0 HB2 ASN A 87 -1.244 -12.108 -0.944 1.00 0.54 H new ATOM 0 HB3 ASN A 87 -2.223 -12.768 0.351 1.00 0.54 H new ATOM 0 HD21 ASN A 87 -0.618 -15.903 0.439 1.00 1.23 H new ATOM 0 HD22 ASN A 87 -1.927 -14.881 1.041 1.00 1.23 H new ATOM 2022 N GLU A 88 -4.940 -13.914 -0.366 1.00 0.56 N ATOM 2023 CA GLU A 88 -5.957 -14.883 0.019 1.00 0.70 C ATOM 2024 C GLU A 88 -7.065 -14.879 -1.027 1.00 0.73 C ATOM 2025 O GLU A 88 -7.580 -15.924 -1.429 1.00 0.82 O ATOM 2026 CB GLU A 88 -6.530 -14.536 1.396 1.00 0.96 C ATOM 2027 CG GLU A 88 -7.503 -15.573 1.936 1.00 1.81 C ATOM 2028 CD GLU A 88 -6.844 -16.912 2.198 1.00 2.18 C ATOM 2029 OE1 GLU A 88 -6.708 -17.712 1.250 1.00 2.60 O ATOM 2030 OE2 GLU A 88 -6.460 -17.170 3.361 1.00 2.78 O ATOM 0 H GLU A 88 -5.061 -12.989 0.045 1.00 0.56 H new ATOM 0 HA GLU A 88 -5.510 -15.875 0.076 1.00 0.70 H new ATOM 0 HB2 GLU A 88 -5.708 -14.420 2.102 1.00 0.96 H new ATOM 0 HB3 GLU A 88 -7.037 -13.573 1.336 1.00 0.96 H new ATOM 0 HG2 GLU A 88 -7.945 -15.203 2.861 1.00 1.81 H new ATOM 0 HG3 GLU A 88 -8.318 -15.707 1.224 1.00 1.81 H new ATOM 2285 N ALA B 2 -3.675 -0.762 -18.067 1.00 0.34 N ATOM 2286 CA ALA B 2 -4.129 -1.729 -17.097 1.00 0.30 C ATOM 2287 C ALA B 2 -5.155 -1.078 -16.180 1.00 0.27 C ATOM 2288 O ALA B 2 -5.386 0.129 -16.273 1.00 0.36 O ATOM 2289 CB ALA B 2 -2.946 -2.260 -16.304 1.00 0.30 C ATOM 0 HA ALA B 2 -4.600 -2.570 -17.605 1.00 0.30 H new ATOM 0 HB1 ALA B 2 -3.296 -2.990 -15.573 1.00 0.30 H new ATOM 0 HB2 ALA B 2 -2.238 -2.736 -16.982 1.00 0.30 H new ATOM 0 HB3 ALA B 2 -2.455 -1.436 -15.787 1.00 0.30 H new ATOM 2295 N CYS B 3 -5.799 -1.869 -15.335 1.00 0.25 N ATOM 2296 CA CYS B 3 -6.693 -1.334 -14.326 1.00 0.23 C ATOM 2297 C CYS B 3 -5.848 -0.790 -13.190 1.00 0.17 C ATOM 2298 O CYS B 3 -5.323 -1.554 -12.385 1.00 0.17 O ATOM 2299 CB CYS B 3 -7.652 -2.417 -13.828 1.00 0.28 C ATOM 2300 SG CYS B 3 -8.602 -3.211 -15.146 1.00 0.39 S ATOM 0 H CYS B 3 -5.717 -2.886 -15.330 1.00 0.25 H new ATOM 0 HA CYS B 3 -7.302 -0.534 -14.748 1.00 0.23 H new ATOM 0 HB2 CYS B 3 -7.081 -3.178 -13.295 1.00 0.28 H new ATOM 0 HB3 CYS B 3 -8.343 -1.975 -13.110 1.00 0.28 H new ATOM 0 HG CYS B 3 -9.384 -4.114 -14.634 1.00 0.39 H new ATOM 2306 N PRO B 4 -5.694 0.537 -13.133 1.00 0.16 N ATOM 2307 CA PRO B 4 -4.688 1.200 -12.291 1.00 0.13 C ATOM 2308 C PRO B 4 -4.691 0.728 -10.842 1.00 0.12 C ATOM 2309 O PRO B 4 -3.716 0.142 -10.370 1.00 0.12 O ATOM 2310 CB PRO B 4 -5.111 2.660 -12.367 1.00 0.17 C ATOM 2311 CG PRO B 4 -5.740 2.789 -13.703 1.00 0.20 C ATOM 2312 CD PRO B 4 -6.506 1.516 -13.885 1.00 0.20 C ATOM 0 HA PRO B 4 -3.675 0.991 -12.636 1.00 0.13 H new ATOM 0 HB2 PRO B 4 -5.811 2.913 -11.571 1.00 0.17 H new ATOM 0 HB3 PRO B 4 -4.256 3.328 -12.264 1.00 0.17 H new ATOM 0 HG2 PRO B 4 -6.397 3.657 -13.749 1.00 0.20 H new ATOM 0 HG3 PRO B 4 -4.990 2.915 -14.484 1.00 0.20 H new ATOM 0 HD2 PRO B 4 -7.518 1.592 -13.488 1.00 0.20 H new ATOM 0 HD3 PRO B 4 -6.596 1.244 -14.937 1.00 0.20 H new ATOM 2320 N LEU B 5 -5.799 0.952 -10.152 1.00 0.13 N ATOM 2321 CA LEU B 5 -5.884 0.623 -8.742 1.00 0.14 C ATOM 2322 C LEU B 5 -5.950 -0.889 -8.553 1.00 0.16 C ATOM 2323 O LEU B 5 -5.443 -1.415 -7.570 1.00 0.22 O ATOM 2324 CB LEU B 5 -7.100 1.308 -8.111 1.00 0.15 C ATOM 2325 CG LEU B 5 -6.902 1.876 -6.700 1.00 0.16 C ATOM 2326 CD1 LEU B 5 -6.655 0.775 -5.698 1.00 0.18 C ATOM 2327 CD2 LEU B 5 -5.754 2.867 -6.664 1.00 0.17 C ATOM 0 H LEU B 5 -6.647 1.359 -10.546 1.00 0.13 H new ATOM 0 HA LEU B 5 -4.988 0.988 -8.240 1.00 0.14 H new ATOM 0 HB2 LEU B 5 -7.414 2.121 -8.766 1.00 0.15 H new ATOM 0 HB3 LEU B 5 -7.919 0.590 -8.079 1.00 0.15 H new ATOM 0 HG LEU B 5 -7.822 2.395 -6.430 1.00 0.16 H new ATOM 0 HD11 LEU B 5 -6.518 1.209 -4.707 1.00 0.18 H new ATOM 0 HD12 LEU B 5 -7.509 0.098 -5.683 1.00 0.18 H new ATOM 0 HD13 LEU B 5 -5.759 0.222 -5.979 1.00 0.18 H new ATOM 0 HD21 LEU B 5 -5.638 3.253 -5.651 1.00 0.17 H new ATOM 0 HD22 LEU B 5 -4.834 2.369 -6.971 1.00 0.17 H new ATOM 0 HD23 LEU B 5 -5.964 3.692 -7.344 1.00 0.17 H new ATOM 2339 N GLU B 6 -6.549 -1.592 -9.511 1.00 0.16 N ATOM 2340 CA GLU B 6 -6.645 -3.043 -9.422 1.00 0.20 C ATOM 2341 C GLU B 6 -5.258 -3.672 -9.494 1.00 0.18 C ATOM 2342 O GLU B 6 -4.918 -4.545 -8.691 1.00 0.23 O ATOM 2343 CB GLU B 6 -7.520 -3.626 -10.529 1.00 0.29 C ATOM 2344 CG GLU B 6 -7.712 -5.129 -10.392 1.00 0.43 C ATOM 2345 CD GLU B 6 -8.442 -5.745 -11.562 1.00 0.90 C ATOM 2346 OE1 GLU B 6 -9.689 -5.817 -11.517 1.00 1.39 O ATOM 2347 OE2 GLU B 6 -7.774 -6.181 -12.526 1.00 1.79 O ATOM 0 H GLU B 6 -6.970 -1.186 -10.347 1.00 0.16 H new ATOM 0 HA GLU B 6 -7.108 -3.275 -8.463 1.00 0.20 H new ATOM 0 HB2 GLU B 6 -8.494 -3.136 -10.514 1.00 0.29 H new ATOM 0 HB3 GLU B 6 -7.069 -3.408 -11.497 1.00 0.29 H new ATOM 0 HG2 GLU B 6 -6.737 -5.605 -10.289 1.00 0.43 H new ATOM 0 HG3 GLU B 6 -8.266 -5.336 -9.477 1.00 0.43 H new ATOM 2354 N LYS B 7 -4.459 -3.215 -10.455 1.00 0.16 N ATOM 2355 CA LYS B 7 -3.111 -3.722 -10.628 1.00 0.18 C ATOM 2356 C LYS B 7 -2.273 -3.437 -9.393 1.00 0.17 C ATOM 2357 O LYS B 7 -1.399 -4.215 -9.061 1.00 0.19 O ATOM 2358 CB LYS B 7 -2.448 -3.139 -11.886 1.00 0.25 C ATOM 2359 CG LYS B 7 -2.977 -3.740 -13.176 1.00 0.41 C ATOM 2360 CD LYS B 7 -1.904 -4.522 -13.920 1.00 0.90 C ATOM 2361 CE LYS B 7 -1.465 -5.758 -13.155 1.00 0.84 C ATOM 2362 NZ LYS B 7 -2.547 -6.773 -13.056 1.00 1.18 N ATOM 0 H LYS B 7 -4.727 -2.493 -11.124 1.00 0.16 H new ATOM 0 HA LYS B 7 -3.174 -4.802 -10.762 1.00 0.18 H new ATOM 0 HB2 LYS B 7 -2.605 -2.061 -11.904 1.00 0.25 H new ATOM 0 HB3 LYS B 7 -1.372 -3.304 -11.831 1.00 0.25 H new ATOM 0 HG2 LYS B 7 -3.816 -4.398 -12.952 1.00 0.41 H new ATOM 0 HG3 LYS B 7 -3.357 -2.945 -13.818 1.00 0.41 H new ATOM 0 HD2 LYS B 7 -2.284 -4.817 -14.898 1.00 0.90 H new ATOM 0 HD3 LYS B 7 -1.042 -3.878 -14.094 1.00 0.90 H new ATOM 0 HE2 LYS B 7 -0.599 -6.200 -13.648 1.00 0.84 H new ATOM 0 HE3 LYS B 7 -1.148 -5.469 -12.153 1.00 0.84 H new ATOM 0 HZ1 LYS B 7 -2.168 -7.644 -12.632 1.00 1.18 H new ATOM 0 HZ2 LYS B 7 -3.316 -6.404 -12.461 1.00 1.18 H new ATOM 0 HZ3 LYS B 7 -2.915 -6.982 -14.006 1.00 1.18 H new ATOM 2376 N ALA B 8 -2.565 -2.337 -8.710 1.00 0.17 N ATOM 2377 CA ALA B 8 -1.871 -1.998 -7.472 1.00 0.17 C ATOM 2378 C ALA B 8 -1.855 -3.178 -6.501 1.00 0.17 C ATOM 2379 O ALA B 8 -0.787 -3.633 -6.097 1.00 0.22 O ATOM 2380 CB ALA B 8 -2.506 -0.779 -6.817 1.00 0.18 C ATOM 0 H ALA B 8 -3.278 -1.664 -8.992 1.00 0.17 H new ATOM 0 HA ALA B 8 -0.838 -1.759 -7.726 1.00 0.17 H new ATOM 0 HB1 ALA B 8 -1.974 -0.543 -5.895 1.00 0.18 H new ATOM 0 HB2 ALA B 8 -2.449 0.071 -7.497 1.00 0.18 H new ATOM 0 HB3 ALA B 8 -3.550 -0.991 -6.589 1.00 0.18 H new ATOM 2386 N LEU B 9 -3.032 -3.692 -6.153 1.00 0.13 N ATOM 2387 CA LEU B 9 -3.121 -4.811 -5.213 1.00 0.12 C ATOM 2388 C LEU B 9 -2.634 -6.097 -5.867 1.00 0.14 C ATOM 2389 O LEU B 9 -1.986 -6.929 -5.230 1.00 0.18 O ATOM 2390 CB LEU B 9 -4.556 -5.021 -4.699 1.00 0.13 C ATOM 2391 CG LEU B 9 -5.218 -3.825 -4.005 1.00 0.13 C ATOM 2392 CD1 LEU B 9 -4.233 -3.106 -3.116 1.00 0.15 C ATOM 2393 CD2 LEU B 9 -5.821 -2.863 -5.008 1.00 0.13 C ATOM 0 H LEU B 9 -3.930 -3.357 -6.502 1.00 0.13 H new ATOM 0 HA LEU B 9 -2.485 -4.561 -4.364 1.00 0.12 H new ATOM 0 HB2 LEU B 9 -5.181 -5.314 -5.543 1.00 0.13 H new ATOM 0 HB3 LEU B 9 -4.549 -5.859 -4.002 1.00 0.13 H new ATOM 0 HG LEU B 9 -6.026 -4.215 -3.386 1.00 0.13 H new ATOM 0 HD11 LEU B 9 -4.726 -2.261 -2.635 1.00 0.15 H new ATOM 0 HD12 LEU B 9 -3.862 -3.792 -2.354 1.00 0.15 H new ATOM 0 HD13 LEU B 9 -3.398 -2.745 -3.716 1.00 0.15 H new ATOM 0 HD21 LEU B 9 -6.281 -2.028 -4.480 1.00 0.13 H new ATOM 0 HD22 LEU B 9 -5.039 -2.488 -5.668 1.00 0.13 H new ATOM 0 HD23 LEU B 9 -6.577 -3.380 -5.599 1.00 0.13 H new ATOM 2405 N ASP B 10 -2.947 -6.247 -7.148 1.00 0.14 N ATOM 2406 CA ASP B 10 -2.573 -7.439 -7.906 1.00 0.16 C ATOM 2407 C ASP B 10 -1.060 -7.614 -7.960 1.00 0.15 C ATOM 2408 O ASP B 10 -0.535 -8.688 -7.657 1.00 0.19 O ATOM 2409 CB ASP B 10 -3.137 -7.351 -9.326 1.00 0.20 C ATOM 2410 CG ASP B 10 -2.625 -8.454 -10.229 1.00 0.51 C ATOM 2411 OD1 ASP B 10 -3.168 -9.576 -10.172 1.00 1.22 O ATOM 2412 OD2 ASP B 10 -1.689 -8.198 -11.012 1.00 1.19 O ATOM 0 H ASP B 10 -3.463 -5.553 -7.689 1.00 0.14 H new ATOM 0 HA ASP B 10 -2.994 -8.306 -7.398 1.00 0.16 H new ATOM 0 HB2 ASP B 10 -4.225 -7.398 -9.284 1.00 0.20 H new ATOM 0 HB3 ASP B 10 -2.876 -6.384 -9.757 1.00 0.20 H new ATOM 2417 N VAL B 11 -0.361 -6.552 -8.334 1.00 0.15 N ATOM 2418 CA VAL B 11 1.084 -6.608 -8.482 1.00 0.16 C ATOM 2419 C VAL B 11 1.765 -6.681 -7.128 1.00 0.16 C ATOM 2420 O VAL B 11 2.905 -7.123 -7.032 1.00 0.20 O ATOM 2421 CB VAL B 11 1.638 -5.398 -9.256 1.00 0.18 C ATOM 2422 CG1 VAL B 11 0.908 -5.242 -10.578 1.00 0.21 C ATOM 2423 CG2 VAL B 11 1.546 -4.129 -8.425 1.00 0.17 C ATOM 0 H VAL B 11 -0.772 -5.642 -8.540 1.00 0.15 H new ATOM 0 HA VAL B 11 1.300 -7.511 -9.053 1.00 0.16 H new ATOM 0 HB VAL B 11 2.693 -5.576 -9.465 1.00 0.18 H new ATOM 0 HG11 VAL B 11 1.309 -4.383 -11.116 1.00 0.21 H new ATOM 0 HG12 VAL B 11 1.045 -6.142 -11.178 1.00 0.21 H new ATOM 0 HG13 VAL B 11 -0.155 -5.089 -10.391 1.00 0.21 H new ATOM 0 HG21 VAL B 11 1.944 -3.290 -8.996 1.00 0.17 H new ATOM 0 HG22 VAL B 11 0.504 -3.934 -8.173 1.00 0.17 H new ATOM 0 HG23 VAL B 11 2.124 -4.251 -7.509 1.00 0.17 H new ATOM 2433 N MET B 12 1.067 -6.237 -6.090 1.00 0.16 N ATOM 2434 CA MET B 12 1.569 -6.348 -4.730 1.00 0.20 C ATOM 2435 C MET B 12 1.941 -7.783 -4.428 1.00 0.23 C ATOM 2436 O MET B 12 3.097 -8.075 -4.168 1.00 0.39 O ATOM 2437 CB MET B 12 0.534 -5.855 -3.736 1.00 0.27 C ATOM 2438 CG MET B 12 0.562 -4.355 -3.554 1.00 0.16 C ATOM 2439 SD MET B 12 -0.876 -3.736 -2.675 1.00 0.78 S ATOM 2440 CE MET B 12 -0.276 -2.145 -2.152 1.00 0.19 C ATOM 0 H MET B 12 0.150 -5.796 -6.166 1.00 0.16 H new ATOM 0 HA MET B 12 2.459 -5.725 -4.638 1.00 0.20 H new ATOM 0 HB2 MET B 12 -0.458 -6.157 -4.072 1.00 0.27 H new ATOM 0 HB3 MET B 12 0.704 -6.336 -2.773 1.00 0.27 H new ATOM 0 HG2 MET B 12 1.464 -4.076 -3.009 1.00 0.16 H new ATOM 0 HG3 MET B 12 0.619 -3.876 -4.531 1.00 0.16 H new ATOM 0 HE1 MET B 12 -1.072 -1.608 -1.636 1.00 0.19 H new ATOM 0 HE2 MET B 12 0.569 -2.279 -1.477 1.00 0.19 H new ATOM 0 HE3 MET B 12 0.043 -1.572 -3.023 1.00 0.19 H new ATOM 2450 N VAL B 13 0.967 -8.680 -4.516 1.00 0.18 N ATOM 2451 CA VAL B 13 1.212 -10.087 -4.232 1.00 0.19 C ATOM 2452 C VAL B 13 1.940 -10.771 -5.385 1.00 0.19 C ATOM 2453 O VAL B 13 2.671 -11.737 -5.175 1.00 0.25 O ATOM 2454 CB VAL B 13 -0.088 -10.851 -3.906 1.00 0.20 C ATOM 2455 CG1 VAL B 13 -0.686 -10.324 -2.618 1.00 0.21 C ATOM 2456 CG2 VAL B 13 -1.099 -10.750 -5.036 1.00 0.22 C ATOM 0 H VAL B 13 0.007 -8.460 -4.780 1.00 0.18 H new ATOM 0 HA VAL B 13 1.850 -10.114 -3.348 1.00 0.19 H new ATOM 0 HB VAL B 13 0.164 -11.905 -3.785 1.00 0.20 H new ATOM 0 HG11 VAL B 13 -1.604 -10.868 -2.394 1.00 0.21 H new ATOM 0 HG12 VAL B 13 0.025 -10.461 -1.804 1.00 0.21 H new ATOM 0 HG13 VAL B 13 -0.911 -9.263 -2.728 1.00 0.21 H new ATOM 0 HG21 VAL B 13 -2.001 -11.301 -4.768 1.00 0.22 H new ATOM 0 HG22 VAL B 13 -1.351 -9.703 -5.207 1.00 0.22 H new ATOM 0 HG23 VAL B 13 -0.672 -11.173 -5.945 1.00 0.22 H new ATOM 2466 N SER B 14 1.752 -10.263 -6.595 1.00 0.18 N ATOM 2467 CA SER B 14 2.440 -10.803 -7.758 1.00 0.21 C ATOM 2468 C SER B 14 3.949 -10.599 -7.624 1.00 0.23 C ATOM 2469 O SER B 14 4.716 -11.563 -7.595 1.00 0.26 O ATOM 2470 CB SER B 14 1.924 -10.135 -9.034 1.00 0.23 C ATOM 2471 OG SER B 14 2.570 -10.647 -10.188 1.00 1.12 O ATOM 0 H SER B 14 1.130 -9.480 -6.796 1.00 0.18 H new ATOM 0 HA SER B 14 2.239 -11.873 -7.818 1.00 0.21 H new ATOM 0 HB2 SER B 14 0.849 -10.292 -9.118 1.00 0.23 H new ATOM 0 HB3 SER B 14 2.085 -9.059 -8.973 1.00 0.23 H new ATOM 0 HG SER B 14 2.217 -10.201 -10.986 1.00 1.12 H new ATOM 2477 N THR B 15 4.358 -9.342 -7.502 1.00 0.24 N ATOM 2478 CA THR B 15 5.764 -8.994 -7.370 1.00 0.26 C ATOM 2479 C THR B 15 6.309 -9.504 -6.039 1.00 0.28 C ATOM 2480 O THR B 15 7.487 -9.851 -5.922 1.00 0.31 O ATOM 2481 CB THR B 15 5.948 -7.469 -7.474 1.00 0.27 C ATOM 2482 OG1 THR B 15 5.170 -6.977 -8.574 1.00 0.33 O ATOM 2483 CG2 THR B 15 7.407 -7.093 -7.686 1.00 0.25 C ATOM 0 H THR B 15 3.727 -8.541 -7.492 1.00 0.24 H new ATOM 0 HA THR B 15 6.320 -9.467 -8.180 1.00 0.26 H new ATOM 0 HB THR B 15 5.616 -7.022 -6.537 1.00 0.27 H new ATOM 0 HG1 THR B 15 4.234 -6.885 -8.298 1.00 0.33 H new ATOM 0 HG21 THR B 15 7.497 -6.009 -7.755 1.00 0.25 H new ATOM 0 HG22 THR B 15 8.001 -7.454 -6.847 1.00 0.25 H new ATOM 0 HG23 THR B 15 7.769 -7.546 -8.609 1.00 0.25 H new ATOM 2491 N PHE B 16 5.420 -9.574 -5.054 1.00 0.30 N ATOM 2492 CA PHE B 16 5.730 -10.142 -3.749 1.00 0.36 C ATOM 2493 C PHE B 16 6.275 -11.554 -3.890 1.00 0.40 C ATOM 2494 O PHE B 16 7.163 -11.952 -3.151 1.00 0.51 O ATOM 2495 CB PHE B 16 4.462 -10.151 -2.891 1.00 0.44 C ATOM 2496 CG PHE B 16 4.607 -10.745 -1.526 1.00 0.34 C ATOM 2497 CD1 PHE B 16 5.483 -10.203 -0.606 1.00 1.27 C ATOM 2498 CD2 PHE B 16 3.837 -11.833 -1.155 1.00 1.21 C ATOM 2499 CE1 PHE B 16 5.592 -10.735 0.660 1.00 1.42 C ATOM 2500 CE2 PHE B 16 3.943 -12.372 0.107 1.00 1.38 C ATOM 2501 CZ PHE B 16 4.822 -11.822 1.017 1.00 0.97 C ATOM 0 H PHE B 16 4.461 -9.237 -5.140 1.00 0.30 H new ATOM 0 HA PHE B 16 6.495 -9.531 -3.269 1.00 0.36 H new ATOM 0 HB2 PHE B 16 4.110 -9.125 -2.785 1.00 0.44 H new ATOM 0 HB3 PHE B 16 3.687 -10.700 -3.426 1.00 0.44 H new ATOM 0 HD1 PHE B 16 6.089 -9.353 -0.882 1.00 1.27 H new ATOM 0 HD2 PHE B 16 3.145 -12.264 -1.863 1.00 1.21 H new ATOM 0 HE1 PHE B 16 6.279 -10.302 1.372 1.00 1.42 H new ATOM 0 HE2 PHE B 16 3.339 -13.224 0.384 1.00 1.38 H new ATOM 0 HZ PHE B 16 4.907 -12.242 2.008 1.00 0.97 H new ATOM 2511 N HIS B 17 5.740 -12.306 -4.844 1.00 0.41 N ATOM 2512 CA HIS B 17 6.168 -13.682 -5.058 1.00 0.51 C ATOM 2513 C HIS B 17 7.305 -13.770 -6.078 1.00 0.45 C ATOM 2514 O HIS B 17 7.956 -14.807 -6.196 1.00 0.51 O ATOM 2515 CB HIS B 17 4.991 -14.557 -5.506 1.00 0.68 C ATOM 2516 CG HIS B 17 3.902 -14.683 -4.479 1.00 1.09 C ATOM 2517 ND1 HIS B 17 4.149 -14.837 -3.132 1.00 2.16 N ATOM 2518 CD2 HIS B 17 2.553 -14.663 -4.608 1.00 1.26 C ATOM 2519 CE1 HIS B 17 3.007 -14.907 -2.479 1.00 2.82 C ATOM 2520 NE2 HIS B 17 2.024 -14.804 -3.349 1.00 2.30 N ATOM 0 H HIS B 17 5.010 -11.986 -5.481 1.00 0.41 H new ATOM 0 HA HIS B 17 6.542 -14.054 -4.104 1.00 0.51 H new ATOM 0 HB2 HIS B 17 4.568 -14.140 -6.420 1.00 0.68 H new ATOM 0 HB3 HIS B 17 5.363 -15.552 -5.751 1.00 0.68 H new ATOM 0 HD2 HIS B 17 1.998 -14.556 -5.528 1.00 1.26 H new ATOM 0 HE1 HIS B 17 2.896 -15.028 -1.412 1.00 2.82 H new ATOM 0 HE2 HIS B 17 1.029 -14.826 -3.124 1.00 2.30 H new ATOM 2529 N LYS B 18 7.542 -12.686 -6.813 1.00 0.42 N ATOM 2530 CA LYS B 18 8.545 -12.686 -7.879 1.00 0.46 C ATOM 2531 C LYS B 18 9.967 -12.812 -7.332 1.00 0.45 C ATOM 2532 O LYS B 18 10.687 -13.766 -7.642 1.00 0.62 O ATOM 2533 CB LYS B 18 8.480 -11.395 -8.705 1.00 0.55 C ATOM 2534 CG LYS B 18 7.207 -11.194 -9.508 1.00 0.76 C ATOM 2535 CD LYS B 18 7.285 -9.895 -10.301 1.00 0.71 C ATOM 2536 CE LYS B 18 6.003 -9.605 -11.064 1.00 1.40 C ATOM 2537 NZ LYS B 18 6.119 -8.369 -11.883 1.00 1.67 N ATOM 0 H LYS B 18 7.055 -11.798 -6.692 1.00 0.42 H new ATOM 0 HA LYS B 18 8.315 -13.550 -8.502 1.00 0.46 H new ATOM 0 HB2 LYS B 18 8.601 -10.547 -8.031 1.00 0.55 H new ATOM 0 HB3 LYS B 18 9.327 -11.380 -9.391 1.00 0.55 H new ATOM 0 HG2 LYS B 18 7.060 -12.034 -10.186 1.00 0.76 H new ATOM 0 HG3 LYS B 18 6.347 -11.169 -8.839 1.00 0.76 H new ATOM 0 HD2 LYS B 18 7.495 -9.069 -9.621 1.00 0.71 H new ATOM 0 HD3 LYS B 18 8.118 -9.950 -11.002 1.00 0.71 H new ATOM 0 HE2 LYS B 18 5.765 -10.449 -11.711 1.00 1.40 H new ATOM 0 HE3 LYS B 18 5.177 -9.500 -10.361 1.00 1.40 H new ATOM 0 HZ1 LYS B 18 5.193 -8.137 -12.295 1.00 1.67 H new ATOM 0 HZ2 LYS B 18 6.437 -7.583 -11.281 1.00 1.67 H new ATOM 0 HZ3 LYS B 18 6.809 -8.522 -12.646 1.00 1.67 H new ATOM 2551 N TYR B 19 10.363 -11.843 -6.518 1.00 0.39 N ATOM 2552 CA TYR B 19 11.765 -11.681 -6.143 1.00 0.43 C ATOM 2553 C TYR B 19 12.069 -12.270 -4.775 1.00 0.50 C ATOM 2554 O TYR B 19 13.228 -12.395 -4.405 1.00 0.74 O ATOM 2555 CB TYR B 19 12.137 -10.196 -6.175 1.00 0.46 C ATOM 2556 CG TYR B 19 11.872 -9.545 -7.514 1.00 0.41 C ATOM 2557 CD1 TYR B 19 12.804 -9.612 -8.542 1.00 1.17 C ATOM 2558 CD2 TYR B 19 10.679 -8.877 -7.757 1.00 1.17 C ATOM 2559 CE1 TYR B 19 12.552 -9.028 -9.771 1.00 1.17 C ATOM 2560 CE2 TYR B 19 10.421 -8.297 -8.984 1.00 1.21 C ATOM 2561 CZ TYR B 19 11.356 -8.374 -9.986 1.00 0.50 C ATOM 2562 OH TYR B 19 11.093 -7.797 -11.209 1.00 0.61 O ATOM 0 H TYR B 19 9.734 -11.155 -6.103 1.00 0.39 H new ATOM 0 HA TYR B 19 12.367 -12.230 -6.867 1.00 0.43 H new ATOM 0 HB2 TYR B 19 11.573 -9.670 -5.404 1.00 0.46 H new ATOM 0 HB3 TYR B 19 13.193 -10.087 -5.928 1.00 0.46 H new ATOM 0 HD1 TYR B 19 13.739 -10.127 -8.380 1.00 1.17 H new ATOM 0 HD2 TYR B 19 9.940 -8.810 -6.973 1.00 1.17 H new ATOM 0 HE1 TYR B 19 13.289 -9.084 -10.559 1.00 1.17 H new ATOM 0 HE2 TYR B 19 9.486 -7.784 -9.154 1.00 1.21 H new ATOM 0 HH TYR B 19 10.375 -7.137 -11.112 1.00 0.61 H new ATOM 2572 N SER B 20 11.038 -12.636 -4.033 1.00 0.41 N ATOM 2573 CA SER B 20 11.226 -13.233 -2.718 1.00 0.48 C ATOM 2574 C SER B 20 11.622 -14.694 -2.855 1.00 0.57 C ATOM 2575 O SER B 20 12.552 -15.163 -2.197 1.00 0.70 O ATOM 2576 CB SER B 20 9.942 -13.120 -1.916 1.00 0.49 C ATOM 2577 OG SER B 20 8.874 -13.696 -2.633 1.00 0.53 O ATOM 0 H SER B 20 10.064 -12.531 -4.316 1.00 0.41 H new ATOM 0 HA SER B 20 12.023 -12.701 -2.199 1.00 0.48 H new ATOM 0 HB2 SER B 20 10.058 -13.621 -0.955 1.00 0.49 H new ATOM 0 HB3 SER B 20 9.726 -12.073 -1.705 1.00 0.49 H new ATOM 0 HG SER B 20 8.066 -13.156 -2.507 1.00 0.53 H new ATOM 2583 N GLY B 21 10.909 -15.407 -3.726 1.00 0.57 N ATOM 2584 CA GLY B 21 11.219 -16.798 -3.999 1.00 0.68 C ATOM 2585 C GLY B 21 12.456 -16.929 -4.856 1.00 0.71 C ATOM 2586 O GLY B 21 12.461 -17.627 -5.868 1.00 0.86 O ATOM 0 H GLY B 21 10.115 -15.040 -4.251 1.00 0.57 H new ATOM 0 HA2 GLY B 21 11.367 -17.330 -3.060 1.00 0.68 H new ATOM 0 HA3 GLY B 21 10.374 -17.269 -4.502 1.00 0.68 H new ATOM 2688 N LYS B 28 8.703 -14.228 1.638 1.00 0.69 N ATOM 2689 CA LYS B 28 9.701 -13.624 2.507 1.00 0.68 C ATOM 2690 C LYS B 28 10.792 -12.946 1.691 1.00 0.50 C ATOM 2691 O LYS B 28 11.475 -13.590 0.903 1.00 0.54 O ATOM 2692 CB LYS B 28 10.316 -14.679 3.425 1.00 0.92 C ATOM 2693 CG LYS B 28 11.072 -14.089 4.602 1.00 0.93 C ATOM 2694 CD LYS B 28 10.122 -13.583 5.679 1.00 0.98 C ATOM 2695 CE LYS B 28 9.423 -14.736 6.380 1.00 1.51 C ATOM 2696 NZ LYS B 28 8.500 -14.266 7.445 1.00 1.98 N ATOM 0 HA LYS B 28 9.205 -12.869 3.117 1.00 0.68 H new ATOM 0 HB2 LYS B 28 9.525 -15.329 3.800 1.00 0.92 H new ATOM 0 HB3 LYS B 28 10.994 -15.304 2.844 1.00 0.92 H new ATOM 0 HG2 LYS B 28 11.735 -14.844 5.025 1.00 0.93 H new ATOM 0 HG3 LYS B 28 11.702 -13.269 4.257 1.00 0.93 H new ATOM 0 HD2 LYS B 28 10.676 -12.993 6.409 1.00 0.98 H new ATOM 0 HD3 LYS B 28 9.380 -12.922 5.232 1.00 0.98 H new ATOM 0 HE2 LYS B 28 8.864 -15.319 5.648 1.00 1.51 H new ATOM 0 HE3 LYS B 28 10.169 -15.401 6.815 1.00 1.51 H new ATOM 0 HZ1 LYS B 28 8.045 -15.085 7.896 1.00 1.98 H new ATOM 0 HZ2 LYS B 28 9.036 -13.731 8.158 1.00 1.98 H new ATOM 0 HZ3 LYS B 28 7.772 -13.652 7.027 1.00 1.98 H new ATOM 2710 N LEU B 29 10.955 -11.645 1.883 1.00 0.38 N ATOM 2711 CA LEU B 29 11.968 -10.903 1.147 1.00 0.32 C ATOM 2712 C LEU B 29 13.075 -10.405 2.058 1.00 0.33 C ATOM 2713 O LEU B 29 12.859 -9.538 2.899 1.00 0.42 O ATOM 2714 CB LEU B 29 11.368 -9.706 0.404 1.00 0.29 C ATOM 2715 CG LEU B 29 10.393 -10.044 -0.718 1.00 0.29 C ATOM 2716 CD1 LEU B 29 8.981 -10.167 -0.178 1.00 0.34 C ATOM 2717 CD2 LEU B 29 10.462 -8.999 -1.819 1.00 0.31 C ATOM 0 H LEU B 29 10.405 -11.086 2.535 1.00 0.38 H new ATOM 0 HA LEU B 29 12.386 -11.603 0.423 1.00 0.32 H new ATOM 0 HB2 LEU B 29 10.855 -9.073 1.128 1.00 0.29 H new ATOM 0 HB3 LEU B 29 12.183 -9.116 -0.014 1.00 0.29 H new ATOM 0 HG LEU B 29 10.678 -11.006 -1.145 1.00 0.29 H new ATOM 0 HD11 LEU B 29 8.299 -10.409 -0.994 1.00 0.34 H new ATOM 0 HD12 LEU B 29 8.946 -10.958 0.571 1.00 0.34 H new ATOM 0 HD13 LEU B 29 8.682 -9.223 0.277 1.00 0.34 H new ATOM 0 HD21 LEU B 29 9.759 -9.258 -2.611 1.00 0.31 H new ATOM 0 HD22 LEU B 29 10.204 -8.022 -1.410 1.00 0.31 H new ATOM 0 HD23 LEU B 29 11.472 -8.967 -2.227 1.00 0.31 H new ATOM 2729 N ASN B 30 14.258 -10.965 1.890 1.00 0.31 N ATOM 2730 CA ASN B 30 15.453 -10.416 2.508 1.00 0.31 C ATOM 2731 C ASN B 30 15.937 -9.226 1.679 1.00 0.27 C ATOM 2732 O ASN B 30 15.303 -8.873 0.681 1.00 0.26 O ATOM 2733 CB ASN B 30 16.544 -11.489 2.639 1.00 0.35 C ATOM 2734 CG ASN B 30 16.749 -12.270 1.360 1.00 0.58 C ATOM 2735 OD1 ASN B 30 16.083 -13.274 1.128 1.00 1.17 O ATOM 2736 ND2 ASN B 30 17.682 -11.834 0.535 1.00 0.60 N ATOM 0 H ASN B 30 14.419 -11.802 1.330 1.00 0.31 H new ATOM 0 HA ASN B 30 15.219 -10.075 3.517 1.00 0.31 H new ATOM 0 HB2 ASN B 30 17.483 -11.014 2.925 1.00 0.35 H new ATOM 0 HB3 ASN B 30 16.277 -12.177 3.441 1.00 0.35 H new ATOM 0 HD21 ASN B 30 17.871 -12.336 -0.332 1.00 0.60 H new ATOM 0 HD22 ASN B 30 18.214 -10.995 0.765 1.00 0.60 H new ATOM 2743 N LYS B 31 17.045 -8.610 2.088 1.00 0.27 N ATOM 2744 CA LYS B 31 17.534 -7.381 1.447 1.00 0.26 C ATOM 2745 C LYS B 31 17.616 -7.526 -0.072 1.00 0.25 C ATOM 2746 O LYS B 31 17.049 -6.724 -0.812 1.00 0.28 O ATOM 2747 CB LYS B 31 18.919 -7.006 1.979 1.00 0.29 C ATOM 2748 CG LYS B 31 18.967 -6.748 3.475 1.00 0.40 C ATOM 2749 CD LYS B 31 20.374 -6.393 3.932 1.00 0.49 C ATOM 2750 CE LYS B 31 21.369 -7.485 3.572 1.00 1.20 C ATOM 2751 NZ LYS B 31 22.749 -7.150 4.004 1.00 1.72 N ATOM 0 H LYS B 31 17.624 -8.939 2.860 1.00 0.27 H new ATOM 0 HA LYS B 31 16.817 -6.596 1.688 1.00 0.26 H new ATOM 0 HB2 LYS B 31 19.617 -7.808 1.738 1.00 0.29 H new ATOM 0 HB3 LYS B 31 19.266 -6.114 1.457 1.00 0.29 H new ATOM 0 HG2 LYS B 31 18.285 -5.936 3.728 1.00 0.40 H new ATOM 0 HG3 LYS B 31 18.621 -7.633 4.010 1.00 0.40 H new ATOM 0 HD2 LYS B 31 20.681 -5.454 3.472 1.00 0.49 H new ATOM 0 HD3 LYS B 31 20.379 -6.236 5.011 1.00 0.49 H new ATOM 0 HE2 LYS B 31 21.062 -8.422 4.037 1.00 1.20 H new ATOM 0 HE3 LYS B 31 21.356 -7.645 2.494 1.00 1.20 H new ATOM 0 HZ1 LYS B 31 23.393 -7.922 3.738 1.00 1.72 H new ATOM 0 HZ2 LYS B 31 23.054 -6.270 3.541 1.00 1.72 H new ATOM 0 HZ3 LYS B 31 22.768 -7.023 5.036 1.00 1.72 H new ATOM 2765 N SER B 32 18.311 -8.563 -0.516 1.00 0.25 N ATOM 2766 CA SER B 32 18.576 -8.783 -1.933 1.00 0.27 C ATOM 2767 C SER B 32 17.296 -8.979 -2.752 1.00 0.24 C ATOM 2768 O SER B 32 17.266 -8.677 -3.950 1.00 0.27 O ATOM 2769 CB SER B 32 19.483 -10.000 -2.075 1.00 0.35 C ATOM 2770 OG SER B 32 20.622 -9.867 -1.238 1.00 1.27 O ATOM 0 H SER B 32 18.708 -9.277 0.095 1.00 0.25 H new ATOM 0 HA SER B 32 19.062 -7.891 -2.329 1.00 0.27 H new ATOM 0 HB2 SER B 32 18.934 -10.904 -1.812 1.00 0.35 H new ATOM 0 HB3 SER B 32 19.797 -10.109 -3.113 1.00 0.35 H new ATOM 0 HG SER B 32 21.195 -10.656 -1.338 1.00 1.27 H new ATOM 2776 N GLU B 33 16.240 -9.463 -2.110 1.00 0.25 N ATOM 2777 CA GLU B 33 14.992 -9.734 -2.809 1.00 0.27 C ATOM 2778 C GLU B 33 14.275 -8.423 -3.084 1.00 0.24 C ATOM 2779 O GLU B 33 13.863 -8.142 -4.211 1.00 0.26 O ATOM 2780 CB GLU B 33 14.087 -10.651 -1.985 1.00 0.34 C ATOM 2781 CG GLU B 33 14.819 -11.766 -1.253 1.00 0.47 C ATOM 2782 CD GLU B 33 15.671 -12.644 -2.152 1.00 0.83 C ATOM 2783 OE1 GLU B 33 16.852 -12.300 -2.381 1.00 1.43 O ATOM 2784 OE2 GLU B 33 15.177 -13.702 -2.590 1.00 1.65 O ATOM 0 H GLU B 33 16.223 -9.675 -1.112 1.00 0.25 H new ATOM 0 HA GLU B 33 15.223 -10.237 -3.748 1.00 0.27 H new ATOM 0 HB2 GLU B 33 13.547 -10.048 -1.255 1.00 0.34 H new ATOM 0 HB3 GLU B 33 13.342 -11.095 -2.646 1.00 0.34 H new ATOM 0 HG2 GLU B 33 15.455 -11.325 -0.485 1.00 0.47 H new ATOM 0 HG3 GLU B 33 14.087 -12.391 -0.741 1.00 0.47 H new ATOM 2791 N LEU B 34 14.151 -7.611 -2.037 1.00 0.21 N ATOM 2792 CA LEU B 34 13.569 -6.283 -2.157 1.00 0.21 C ATOM 2793 C LEU B 34 14.404 -5.428 -3.089 1.00 0.20 C ATOM 2794 O LEU B 34 13.875 -4.647 -3.874 1.00 0.24 O ATOM 2795 CB LEU B 34 13.477 -5.612 -0.790 1.00 0.21 C ATOM 2796 CG LEU B 34 12.244 -5.968 0.028 1.00 0.21 C ATOM 2797 CD1 LEU B 34 12.404 -5.471 1.453 1.00 0.24 C ATOM 2798 CD2 LEU B 34 11.009 -5.353 -0.611 1.00 0.21 C ATOM 0 H LEU B 34 14.449 -7.854 -1.092 1.00 0.21 H new ATOM 0 HA LEU B 34 12.564 -6.386 -2.567 1.00 0.21 H new ATOM 0 HB2 LEU B 34 14.364 -5.876 -0.214 1.00 0.21 H new ATOM 0 HB3 LEU B 34 13.499 -4.531 -0.932 1.00 0.21 H new ATOM 0 HG LEU B 34 12.128 -7.052 0.049 1.00 0.21 H new ATOM 0 HD11 LEU B 34 11.517 -5.730 2.031 1.00 0.24 H new ATOM 0 HD12 LEU B 34 13.280 -5.937 1.905 1.00 0.24 H new ATOM 0 HD13 LEU B 34 12.530 -4.388 1.449 1.00 0.24 H new ATOM 0 HD21 LEU B 34 10.128 -5.610 -0.022 1.00 0.21 H new ATOM 0 HD22 LEU B 34 11.119 -4.269 -0.645 1.00 0.21 H new ATOM 0 HD23 LEU B 34 10.893 -5.738 -1.624 1.00 0.21 H new ATOM 2810 N LYS B 35 15.713 -5.596 -2.988 1.00 0.21 N ATOM 2811 CA LYS B 35 16.655 -4.896 -3.837 1.00 0.26 C ATOM 2812 C LYS B 35 16.268 -5.034 -5.295 1.00 0.22 C ATOM 2813 O LYS B 35 15.954 -4.047 -5.956 1.00 0.24 O ATOM 2814 CB LYS B 35 18.059 -5.446 -3.604 1.00 0.37 C ATOM 2815 CG LYS B 35 19.129 -4.761 -4.426 1.00 0.54 C ATOM 2816 CD LYS B 35 20.499 -5.326 -4.108 1.00 0.68 C ATOM 2817 CE LYS B 35 21.588 -4.609 -4.877 1.00 0.61 C ATOM 2818 NZ LYS B 35 21.869 -3.266 -4.308 1.00 0.95 N ATOM 0 H LYS B 35 16.150 -6.223 -2.313 1.00 0.21 H new ATOM 0 HA LYS B 35 16.639 -3.836 -3.583 1.00 0.26 H new ATOM 0 HB2 LYS B 35 18.307 -5.347 -2.547 1.00 0.37 H new ATOM 0 HB3 LYS B 35 18.064 -6.511 -3.834 1.00 0.37 H new ATOM 0 HG2 LYS B 35 18.916 -4.889 -5.487 1.00 0.54 H new ATOM 0 HG3 LYS B 35 19.117 -3.690 -4.225 1.00 0.54 H new ATOM 0 HD2 LYS B 35 20.690 -5.239 -3.038 1.00 0.68 H new ATOM 0 HD3 LYS B 35 20.521 -6.389 -4.350 1.00 0.68 H new ATOM 0 HE2 LYS B 35 22.498 -5.208 -4.863 1.00 0.61 H new ATOM 0 HE3 LYS B 35 21.290 -4.507 -5.920 1.00 0.61 H new ATOM 0 HZ1 LYS B 35 22.803 -2.941 -4.630 1.00 0.95 H new ATOM 0 HZ2 LYS B 35 21.140 -2.595 -4.625 1.00 0.95 H new ATOM 0 HZ3 LYS B 35 21.861 -3.320 -3.269 1.00 0.95 H new ATOM 2832 N GLU B 36 16.250 -6.263 -5.777 1.00 0.22 N ATOM 2833 CA GLU B 36 15.944 -6.520 -7.167 1.00 0.24 C ATOM 2834 C GLU B 36 14.526 -6.064 -7.491 1.00 0.25 C ATOM 2835 O GLU B 36 14.269 -5.514 -8.559 1.00 0.32 O ATOM 2836 CB GLU B 36 16.098 -7.998 -7.471 1.00 0.28 C ATOM 2837 CG GLU B 36 16.308 -8.278 -8.943 1.00 0.65 C ATOM 2838 CD GLU B 36 16.603 -9.733 -9.227 1.00 0.77 C ATOM 2839 OE1 GLU B 36 17.703 -10.200 -8.860 1.00 1.30 O ATOM 2840 OE2 GLU B 36 15.748 -10.412 -9.835 1.00 1.48 O ATOM 0 H GLU B 36 16.444 -7.098 -5.224 1.00 0.22 H new ATOM 0 HA GLU B 36 16.642 -5.957 -7.787 1.00 0.24 H new ATOM 0 HB2 GLU B 36 16.943 -8.394 -6.907 1.00 0.28 H new ATOM 0 HB3 GLU B 36 15.210 -8.529 -7.129 1.00 0.28 H new ATOM 0 HG2 GLU B 36 15.418 -7.978 -9.496 1.00 0.65 H new ATOM 0 HG3 GLU B 36 17.132 -7.667 -9.310 1.00 0.65 H new ATOM 2847 N LEU B 37 13.623 -6.282 -6.546 1.00 0.23 N ATOM 2848 CA LEU B 37 12.233 -5.859 -6.683 1.00 0.26 C ATOM 2849 C LEU B 37 12.154 -4.375 -7.027 1.00 0.22 C ATOM 2850 O LEU B 37 11.588 -3.988 -8.054 1.00 0.22 O ATOM 2851 CB LEU B 37 11.491 -6.130 -5.376 1.00 0.32 C ATOM 2852 CG LEU B 37 9.967 -6.072 -5.448 1.00 0.41 C ATOM 2853 CD1 LEU B 37 9.368 -7.257 -4.713 1.00 0.34 C ATOM 2854 CD2 LEU B 37 9.453 -4.771 -4.851 1.00 0.74 C ATOM 0 H LEU B 37 13.830 -6.755 -5.666 1.00 0.23 H new ATOM 0 HA LEU B 37 11.770 -6.424 -7.492 1.00 0.26 H new ATOM 0 HB2 LEU B 37 11.781 -7.117 -5.015 1.00 0.32 H new ATOM 0 HB3 LEU B 37 11.828 -5.407 -4.633 1.00 0.32 H new ATOM 0 HG LEU B 37 9.666 -6.113 -6.495 1.00 0.41 H new ATOM 0 HD11 LEU B 37 8.281 -7.208 -4.769 1.00 0.34 H new ATOM 0 HD12 LEU B 37 9.714 -8.183 -5.173 1.00 0.34 H new ATOM 0 HD13 LEU B 37 9.679 -7.232 -3.669 1.00 0.34 H new ATOM 0 HD21 LEU B 37 8.365 -4.748 -4.911 1.00 0.74 H new ATOM 0 HD22 LEU B 37 9.760 -4.703 -3.807 1.00 0.74 H new ATOM 0 HD23 LEU B 37 9.865 -3.928 -5.406 1.00 0.74 H new ATOM 2866 N LEU B 38 12.748 -3.550 -6.172 1.00 0.19 N ATOM 2867 CA LEU B 38 12.739 -2.112 -6.369 1.00 0.19 C ATOM 2868 C LEU B 38 13.545 -1.711 -7.605 1.00 0.19 C ATOM 2869 O LEU B 38 13.135 -0.833 -8.346 1.00 0.21 O ATOM 2870 CB LEU B 38 13.256 -1.382 -5.123 1.00 0.19 C ATOM 2871 CG LEU B 38 12.230 -1.201 -3.996 1.00 0.19 C ATOM 2872 CD1 LEU B 38 12.544 -2.100 -2.815 1.00 0.20 C ATOM 2873 CD2 LEU B 38 12.175 0.257 -3.559 1.00 0.20 C ATOM 0 H LEU B 38 13.242 -3.857 -5.334 1.00 0.19 H new ATOM 0 HA LEU B 38 11.704 -1.812 -6.535 1.00 0.19 H new ATOM 0 HB2 LEU B 38 14.111 -1.931 -4.729 1.00 0.19 H new ATOM 0 HB3 LEU B 38 13.619 -0.399 -5.423 1.00 0.19 H new ATOM 0 HG LEU B 38 11.252 -1.489 -4.382 1.00 0.19 H new ATOM 0 HD11 LEU B 38 11.799 -1.948 -2.034 1.00 0.20 H new ATOM 0 HD12 LEU B 38 12.526 -3.142 -3.136 1.00 0.20 H new ATOM 0 HD13 LEU B 38 13.533 -1.857 -2.426 1.00 0.20 H new ATOM 0 HD21 LEU B 38 11.443 0.370 -2.759 1.00 0.20 H new ATOM 0 HD22 LEU B 38 13.156 0.566 -3.199 1.00 0.20 H new ATOM 0 HD23 LEU B 38 11.886 0.880 -4.406 1.00 0.20 H new ATOM 2885 N THR B 39 14.676 -2.369 -7.852 1.00 0.20 N ATOM 2886 CA THR B 39 15.508 -2.021 -9.006 1.00 0.22 C ATOM 2887 C THR B 39 14.763 -2.230 -10.321 1.00 0.23 C ATOM 2888 O THR B 39 15.044 -1.564 -11.319 1.00 0.27 O ATOM 2889 CB THR B 39 16.818 -2.836 -9.058 1.00 0.25 C ATOM 2890 OG1 THR B 39 16.540 -4.238 -9.165 1.00 0.30 O ATOM 2891 CG2 THR B 39 17.657 -2.586 -7.827 1.00 0.27 C ATOM 0 H THR B 39 15.035 -3.134 -7.280 1.00 0.20 H new ATOM 0 HA THR B 39 15.751 -0.966 -8.880 1.00 0.22 H new ATOM 0 HB THR B 39 17.372 -2.512 -9.939 1.00 0.25 H new ATOM 0 HG1 THR B 39 15.580 -4.392 -9.040 1.00 0.30 H new ATOM 0 HG21 THR B 39 18.575 -3.171 -7.887 1.00 0.27 H new ATOM 0 HG22 THR B 39 17.906 -1.527 -7.765 1.00 0.27 H new ATOM 0 HG23 THR B 39 17.097 -2.880 -6.939 1.00 0.27 H new ATOM 2899 N ARG B 40 13.814 -3.151 -10.313 1.00 0.24 N ATOM 2900 CA ARG B 40 13.092 -3.510 -11.519 1.00 0.27 C ATOM 2901 C ARG B 40 11.850 -2.647 -11.708 1.00 0.27 C ATOM 2902 O ARG B 40 11.752 -1.896 -12.677 1.00 0.30 O ATOM 2903 CB ARG B 40 12.704 -4.986 -11.475 1.00 0.31 C ATOM 2904 CG ARG B 40 13.887 -5.930 -11.600 1.00 0.34 C ATOM 2905 CD ARG B 40 14.595 -5.760 -12.931 1.00 0.44 C ATOM 2906 NE ARG B 40 13.740 -6.130 -14.058 1.00 0.64 N ATOM 2907 CZ ARG B 40 13.871 -5.641 -15.289 1.00 0.87 C ATOM 2908 NH1 ARG B 40 14.789 -4.720 -15.550 1.00 1.22 N ATOM 2909 NH2 ARG B 40 13.066 -6.063 -16.255 1.00 1.06 N ATOM 0 H ARG B 40 13.526 -3.665 -9.480 1.00 0.24 H new ATOM 0 HA ARG B 40 13.751 -3.333 -12.369 1.00 0.27 H new ATOM 0 HB2 ARG B 40 12.186 -5.189 -10.538 1.00 0.31 H new ATOM 0 HB3 ARG B 40 11.999 -5.192 -12.280 1.00 0.31 H new ATOM 0 HG2 ARG B 40 14.589 -5.745 -10.787 1.00 0.34 H new ATOM 0 HG3 ARG B 40 13.545 -6.960 -11.498 1.00 0.34 H new ATOM 0 HD2 ARG B 40 14.913 -4.723 -13.042 1.00 0.44 H new ATOM 0 HD3 ARG B 40 15.496 -6.373 -12.943 1.00 0.44 H new ATOM 0 HE ARG B 40 12.995 -6.806 -13.890 1.00 0.64 H new ATOM 0 HH11 ARG B 40 15.399 -4.383 -14.805 1.00 1.22 H new ATOM 0 HH12 ARG B 40 14.885 -4.349 -16.495 1.00 1.22 H new ATOM 0 HH21 ARG B 40 12.349 -6.760 -16.053 1.00 1.06 H new ATOM 0 HH22 ARG B 40 13.164 -5.690 -17.199 1.00 1.06 H new ATOM 2923 N GLU B 41 10.904 -2.754 -10.786 1.00 0.27 N ATOM 2924 CA GLU B 41 9.619 -2.088 -10.948 1.00 0.30 C ATOM 2925 C GLU B 41 9.500 -0.797 -10.140 1.00 0.34 C ATOM 2926 O GLU B 41 8.550 -0.045 -10.332 1.00 0.46 O ATOM 2927 CB GLU B 41 8.478 -3.046 -10.610 1.00 0.36 C ATOM 2928 CG GLU B 41 8.038 -3.882 -11.801 1.00 0.45 C ATOM 2929 CD GLU B 41 7.979 -5.369 -11.498 1.00 0.83 C ATOM 2930 OE1 GLU B 41 9.040 -6.033 -11.561 1.00 1.59 O ATOM 2931 OE2 GLU B 41 6.876 -5.883 -11.222 1.00 1.54 O ATOM 0 H GLU B 41 11.000 -3.291 -9.924 1.00 0.27 H new ATOM 0 HA GLU B 41 9.549 -1.797 -11.996 1.00 0.30 H new ATOM 0 HB2 GLU B 41 8.793 -3.708 -9.804 1.00 0.36 H new ATOM 0 HB3 GLU B 41 7.627 -2.474 -10.239 1.00 0.36 H new ATOM 0 HG2 GLU B 41 7.055 -3.545 -12.130 1.00 0.45 H new ATOM 0 HG3 GLU B 41 8.726 -3.713 -12.629 1.00 0.45 H new ATOM 2938 N LEU B 42 10.446 -0.522 -9.246 1.00 0.27 N ATOM 2939 CA LEU B 42 10.392 0.725 -8.476 1.00 0.28 C ATOM 2940 C LEU B 42 11.679 1.559 -8.598 1.00 0.27 C ATOM 2941 O LEU B 42 12.091 2.172 -7.615 1.00 0.26 O ATOM 2942 CB LEU B 42 10.155 0.442 -6.984 1.00 0.27 C ATOM 2943 CG LEU B 42 8.904 -0.360 -6.624 1.00 0.27 C ATOM 2944 CD1 LEU B 42 9.131 -1.842 -6.846 1.00 0.26 C ATOM 2945 CD2 LEU B 42 8.507 -0.093 -5.179 1.00 0.32 C ATOM 0 H LEU B 42 11.241 -1.126 -9.037 1.00 0.27 H new ATOM 0 HA LEU B 42 9.563 1.293 -8.898 1.00 0.28 H new ATOM 0 HB2 LEU B 42 11.023 -0.092 -6.597 1.00 0.27 H new ATOM 0 HB3 LEU B 42 10.109 1.397 -6.460 1.00 0.27 H new ATOM 0 HG LEU B 42 8.091 -0.041 -7.276 1.00 0.27 H new ATOM 0 HD11 LEU B 42 8.227 -2.392 -6.583 1.00 0.26 H new ATOM 0 HD12 LEU B 42 9.372 -2.020 -7.894 1.00 0.26 H new ATOM 0 HD13 LEU B 42 9.957 -2.181 -6.221 1.00 0.26 H new ATOM 0 HD21 LEU B 42 7.615 -0.670 -4.934 1.00 0.32 H new ATOM 0 HD22 LEU B 42 9.322 -0.387 -4.518 1.00 0.32 H new ATOM 0 HD23 LEU B 42 8.299 0.969 -5.049 1.00 0.32 H new ATOM 2957 N PRO B 43 12.320 1.661 -9.786 1.00 0.31 N ATOM 2958 CA PRO B 43 13.606 2.346 -9.895 1.00 0.33 C ATOM 2959 C PRO B 43 13.437 3.846 -9.726 1.00 0.33 C ATOM 2960 O PRO B 43 14.362 4.558 -9.335 1.00 0.36 O ATOM 2961 CB PRO B 43 14.097 2.019 -11.309 1.00 0.41 C ATOM 2962 CG PRO B 43 13.126 1.028 -11.867 1.00 0.51 C ATOM 2963 CD PRO B 43 11.849 1.201 -11.098 1.00 0.35 C ATOM 0 HA PRO B 43 14.308 2.027 -9.124 1.00 0.33 H new ATOM 0 HB2 PRO B 43 14.135 2.917 -11.926 1.00 0.41 H new ATOM 0 HB3 PRO B 43 15.105 1.606 -11.285 1.00 0.41 H new ATOM 0 HG2 PRO B 43 12.964 1.201 -12.931 1.00 0.51 H new ATOM 0 HG3 PRO B 43 13.506 0.012 -11.763 1.00 0.51 H new ATOM 0 HD2 PRO B 43 11.189 1.929 -11.569 1.00 0.35 H new ATOM 0 HD3 PRO B 43 11.292 0.267 -11.023 1.00 0.35 H new ATOM 2971 N SER B 44 12.233 4.308 -10.023 1.00 0.36 N ATOM 2972 CA SER B 44 11.870 5.699 -9.842 1.00 0.39 C ATOM 2973 C SER B 44 11.875 6.048 -8.360 1.00 0.35 C ATOM 2974 O SER B 44 12.330 7.118 -7.960 1.00 0.40 O ATOM 2975 CB SER B 44 10.482 5.928 -10.429 1.00 0.46 C ATOM 2976 OG SER B 44 10.383 5.340 -11.717 1.00 1.09 O ATOM 0 H SER B 44 11.482 3.727 -10.396 1.00 0.36 H new ATOM 0 HA SER B 44 12.592 6.337 -10.351 1.00 0.39 H new ATOM 0 HB2 SER B 44 9.727 5.501 -9.769 1.00 0.46 H new ATOM 0 HB3 SER B 44 10.280 6.997 -10.495 1.00 0.46 H new ATOM 0 HG SER B 44 9.645 4.695 -11.726 1.00 1.09 H new ATOM 2982 N PHE B 45 11.391 5.107 -7.554 1.00 0.30 N ATOM 2983 CA PHE B 45 11.270 5.286 -6.118 1.00 0.28 C ATOM 2984 C PHE B 45 12.593 5.069 -5.410 1.00 0.28 C ATOM 2985 O PHE B 45 12.619 4.916 -4.204 1.00 0.27 O ATOM 2986 CB PHE B 45 10.251 4.303 -5.539 1.00 0.31 C ATOM 2987 CG PHE B 45 8.907 4.350 -6.191 1.00 0.28 C ATOM 2988 CD1 PHE B 45 7.972 5.291 -5.808 1.00 1.28 C ATOM 2989 CD2 PHE B 45 8.572 3.434 -7.170 1.00 1.17 C ATOM 2990 CE1 PHE B 45 6.723 5.316 -6.389 1.00 1.34 C ATOM 2991 CE2 PHE B 45 7.328 3.455 -7.760 1.00 1.18 C ATOM 2992 CZ PHE B 45 6.401 4.395 -7.368 1.00 0.47 C ATOM 0 H PHE B 45 11.071 4.196 -7.884 1.00 0.30 H new ATOM 0 HA PHE B 45 10.943 6.313 -5.956 1.00 0.28 H new ATOM 0 HB2 PHE B 45 10.649 3.292 -5.628 1.00 0.31 H new ATOM 0 HB3 PHE B 45 10.132 4.507 -4.475 1.00 0.31 H new ATOM 0 HD1 PHE B 45 8.222 6.014 -5.046 1.00 1.28 H new ATOM 0 HD2 PHE B 45 9.295 2.692 -7.476 1.00 1.17 H new ATOM 0 HE1 PHE B 45 5.997 6.054 -6.080 1.00 1.34 H new ATOM 0 HE2 PHE B 45 7.080 2.737 -8.528 1.00 1.18 H new ATOM 0 HZ PHE B 45 5.423 4.413 -7.825 1.00 0.47 H new ATOM 3002 N LEU B 46 13.694 5.040 -6.131 1.00 0.32 N ATOM 3003 CA LEU B 46 14.974 4.966 -5.456 1.00 0.33 C ATOM 3004 C LEU B 46 15.494 6.376 -5.224 1.00 0.39 C ATOM 3005 O LEU B 46 16.365 6.592 -4.391 1.00 0.47 O ATOM 3006 CB LEU B 46 15.974 4.082 -6.223 1.00 0.35 C ATOM 3007 CG LEU B 46 15.394 2.734 -6.677 1.00 0.32 C ATOM 3008 CD1 LEU B 46 16.484 1.835 -7.243 1.00 0.41 C ATOM 3009 CD2 LEU B 46 14.672 2.049 -5.520 1.00 0.30 C ATOM 0 H LEU B 46 13.732 5.065 -7.150 1.00 0.32 H new ATOM 0 HA LEU B 46 14.845 4.484 -4.487 1.00 0.33 H new ATOM 0 HB2 LEU B 46 16.328 4.627 -7.098 1.00 0.35 H new ATOM 0 HB3 LEU B 46 16.841 3.898 -5.589 1.00 0.35 H new ATOM 0 HG LEU B 46 14.671 2.923 -7.471 1.00 0.32 H new ATOM 0 HD11 LEU B 46 16.047 0.887 -7.557 1.00 0.41 H new ATOM 0 HD12 LEU B 46 16.949 2.322 -8.100 1.00 0.41 H new ATOM 0 HD13 LEU B 46 17.238 1.651 -6.478 1.00 0.41 H new ATOM 0 HD21 LEU B 46 14.267 1.095 -5.858 1.00 0.30 H new ATOM 0 HD22 LEU B 46 15.374 1.877 -4.704 1.00 0.30 H new ATOM 0 HD23 LEU B 46 13.859 2.685 -5.171 1.00 0.30 H new ATOM 3021 N GLY B 47 14.894 7.328 -5.947 1.00 0.41 N ATOM 3022 CA GLY B 47 15.175 8.760 -5.801 1.00 0.49 C ATOM 3023 C GLY B 47 16.609 9.178 -6.095 1.00 0.53 C ATOM 3024 O GLY B 47 16.843 10.265 -6.621 1.00 0.60 O ATOM 0 H GLY B 47 14.192 7.123 -6.658 1.00 0.41 H new ATOM 0 HA2 GLY B 47 14.510 9.313 -6.465 1.00 0.49 H new ATOM 0 HA3 GLY B 47 14.929 9.059 -4.782 1.00 0.49 H new ATOM 3028 N LYS B 48 17.558 8.332 -5.763 1.00 0.54 N ATOM 3029 CA LYS B 48 18.952 8.582 -6.065 1.00 0.67 C ATOM 3030 C LYS B 48 19.663 7.270 -6.384 1.00 0.70 C ATOM 3031 O LYS B 48 20.222 7.125 -7.471 1.00 1.18 O ATOM 3032 CB LYS B 48 19.625 9.342 -4.916 1.00 0.82 C ATOM 3033 CG LYS B 48 19.467 8.680 -3.562 1.00 1.41 C ATOM 3034 CD LYS B 48 19.969 9.568 -2.433 1.00 2.04 C ATOM 3035 CE LYS B 48 19.105 10.812 -2.277 1.00 2.61 C ATOM 3036 NZ LYS B 48 17.697 10.471 -1.939 1.00 3.21 N ATOM 0 H LYS B 48 17.387 7.452 -5.277 1.00 0.54 H new ATOM 0 HA LYS B 48 19.020 9.216 -6.949 1.00 0.67 H new ATOM 0 HB2 LYS B 48 20.687 9.446 -5.136 1.00 0.82 H new ATOM 0 HB3 LYS B 48 19.209 10.349 -4.867 1.00 0.82 H new ATOM 0 HG2 LYS B 48 18.417 8.440 -3.396 1.00 1.41 H new ATOM 0 HG3 LYS B 48 20.014 7.737 -3.553 1.00 1.41 H new ATOM 0 HD2 LYS B 48 19.971 9.005 -1.499 1.00 2.04 H new ATOM 0 HD3 LYS B 48 21.000 9.862 -2.630 1.00 2.04 H new ATOM 0 HE2 LYS B 48 19.522 11.448 -1.496 1.00 2.61 H new ATOM 0 HE3 LYS B 48 19.127 11.388 -3.202 1.00 2.61 H new ATOM 0 HZ1 LYS B 48 17.216 11.313 -1.563 1.00 3.21 H new ATOM 0 HZ2 LYS B 48 17.204 10.144 -2.794 1.00 3.21 H new ATOM 0 HZ3 LYS B 48 17.685 9.717 -1.223 1.00 3.21 H new ATOM 3050 N ARG B 49 19.591 6.305 -5.459 1.00 0.54 N ATOM 3051 CA ARG B 49 20.178 4.981 -5.663 1.00 0.54 C ATOM 3052 C ARG B 49 20.104 4.140 -4.396 1.00 0.51 C ATOM 3053 O ARG B 49 20.423 4.612 -3.305 1.00 0.55 O ATOM 3054 CB ARG B 49 21.644 5.074 -6.105 1.00 0.66 C ATOM 3055 CG ARG B 49 22.289 3.716 -6.314 1.00 0.74 C ATOM 3056 CD ARG B 49 21.463 2.860 -7.258 1.00 0.73 C ATOM 3057 NE ARG B 49 21.499 3.367 -8.627 1.00 1.28 N ATOM 3058 CZ ARG B 49 21.666 2.610 -9.705 1.00 1.46 C ATOM 3059 NH1 ARG B 49 21.905 1.310 -9.589 1.00 1.43 N ATOM 3060 NH2 ARG B 49 21.620 3.163 -10.907 1.00 2.26 N ATOM 0 H ARG B 49 19.128 6.421 -4.557 1.00 0.54 H new ATOM 0 HA ARG B 49 19.595 4.504 -6.451 1.00 0.54 H new ATOM 0 HB2 ARG B 49 21.702 5.644 -7.032 1.00 0.66 H new ATOM 0 HB3 ARG B 49 22.209 5.627 -5.355 1.00 0.66 H new ATOM 0 HG2 ARG B 49 23.293 3.845 -6.719 1.00 0.74 H new ATOM 0 HG3 ARG B 49 22.394 3.208 -5.355 1.00 0.74 H new ATOM 0 HD2 ARG B 49 21.837 1.836 -7.240 1.00 0.73 H new ATOM 0 HD3 ARG B 49 20.431 2.829 -6.910 1.00 0.73 H new ATOM 0 HE ARG B 49 21.388 4.372 -8.765 1.00 1.28 H new ATOM 0 HH11 ARG B 49 21.962 0.882 -8.665 1.00 1.43 H new ATOM 0 HH12 ARG B 49 22.032 0.738 -10.424 1.00 1.43 H new ATOM 0 HH21 ARG B 49 21.457 4.165 -11.001 1.00 2.26 H new ATOM 0 HH22 ARG B 49 21.748 2.587 -11.739 1.00 2.26 H new ATOM 3074 N THR B 50 19.669 2.896 -4.551 1.00 0.51 N ATOM 3075 CA THR B 50 19.735 1.910 -3.491 1.00 0.51 C ATOM 3076 C THR B 50 21.110 1.234 -3.448 1.00 0.61 C ATOM 3077 O THR B 50 21.416 0.375 -4.274 1.00 0.82 O ATOM 3078 CB THR B 50 18.645 0.846 -3.688 1.00 0.57 C ATOM 3079 OG1 THR B 50 18.564 0.484 -5.074 1.00 0.69 O ATOM 3080 CG2 THR B 50 17.294 1.350 -3.213 1.00 0.57 C ATOM 0 H THR B 50 19.261 2.546 -5.418 1.00 0.51 H new ATOM 0 HA THR B 50 19.574 2.426 -2.545 1.00 0.51 H new ATOM 0 HB THR B 50 18.913 -0.028 -3.094 1.00 0.57 H new ATOM 0 HG1 THR B 50 19.463 0.293 -5.415 1.00 0.69 H new ATOM 0 HG21 THR B 50 16.543 0.575 -3.365 1.00 0.57 H new ATOM 0 HG22 THR B 50 17.350 1.598 -2.153 1.00 0.57 H new ATOM 0 HG23 THR B 50 17.018 2.239 -3.779 1.00 0.57 H new ATOM 3088 N ASP B 51 21.945 1.642 -2.502 1.00 0.58 N ATOM 3089 CA ASP B 51 23.259 1.026 -2.327 1.00 0.72 C ATOM 3090 C ASP B 51 23.162 -0.126 -1.334 1.00 0.60 C ATOM 3091 O ASP B 51 22.130 -0.309 -0.690 1.00 0.58 O ATOM 3092 CB ASP B 51 24.274 2.060 -1.829 1.00 0.91 C ATOM 3093 CG ASP B 51 25.704 1.558 -1.877 1.00 1.35 C ATOM 3094 OD1 ASP B 51 26.317 1.593 -2.962 1.00 1.98 O ATOM 3095 OD2 ASP B 51 26.216 1.111 -0.830 1.00 1.91 O ATOM 0 H ASP B 51 21.739 2.394 -1.844 1.00 0.58 H new ATOM 0 HA ASP B 51 23.596 0.643 -3.290 1.00 0.72 H new ATOM 0 HB2 ASP B 51 24.191 2.963 -2.434 1.00 0.91 H new ATOM 0 HB3 ASP B 51 24.027 2.339 -0.805 1.00 0.91 H new ATOM 3100 N GLU B 52 24.241 -0.879 -1.189 1.00 0.68 N ATOM 3101 CA GLU B 52 24.261 -2.033 -0.298 1.00 0.66 C ATOM 3102 C GLU B 52 24.477 -1.604 1.146 1.00 0.55 C ATOM 3103 O GLU B 52 23.880 -2.168 2.065 1.00 0.50 O ATOM 3104 CB GLU B 52 25.336 -3.028 -0.728 1.00 0.83 C ATOM 3105 CG GLU B 52 24.963 -3.804 -1.978 1.00 1.57 C ATOM 3106 CD GLU B 52 23.692 -4.607 -1.789 1.00 2.22 C ATOM 3107 OE1 GLU B 52 22.594 -4.023 -1.895 1.00 2.79 O ATOM 3108 OE2 GLU B 52 23.782 -5.824 -1.530 1.00 2.89 O ATOM 0 H GLU B 52 25.120 -0.712 -1.679 1.00 0.68 H new ATOM 0 HA GLU B 52 23.290 -2.525 -0.363 1.00 0.66 H new ATOM 0 HB2 GLU B 52 26.269 -2.492 -0.905 1.00 0.83 H new ATOM 0 HB3 GLU B 52 25.520 -3.729 0.086 1.00 0.83 H new ATOM 0 HG2 GLU B 52 24.834 -3.111 -2.810 1.00 1.57 H new ATOM 0 HG3 GLU B 52 25.779 -4.475 -2.245 1.00 1.57 H new ATOM 3115 N ALA B 53 25.308 -0.585 1.344 1.00 0.58 N ATOM 3116 CA ALA B 53 25.511 -0.025 2.674 1.00 0.58 C ATOM 3117 C ALA B 53 24.281 0.769 3.080 1.00 0.53 C ATOM 3118 O ALA B 53 24.097 1.120 4.243 1.00 0.58 O ATOM 3119 CB ALA B 53 26.750 0.855 2.708 1.00 0.70 C ATOM 0 H ALA B 53 25.848 -0.134 0.606 1.00 0.58 H new ATOM 0 HA ALA B 53 25.663 -0.840 3.382 1.00 0.58 H new ATOM 0 HB1 ALA B 53 26.880 1.261 3.711 1.00 0.70 H new ATOM 0 HB2 ALA B 53 27.625 0.262 2.440 1.00 0.70 H new ATOM 0 HB3 ALA B 53 26.635 1.673 1.997 1.00 0.70 H new ATOM 3125 N ALA B 54 23.444 1.043 2.095 1.00 0.52 N ATOM 3126 CA ALA B 54 22.178 1.709 2.322 1.00 0.51 C ATOM 3127 C ALA B 54 21.091 0.686 2.612 1.00 0.39 C ATOM 3128 O ALA B 54 20.174 0.932 3.392 1.00 0.35 O ATOM 3129 CB ALA B 54 21.800 2.529 1.106 1.00 0.63 C ATOM 0 H ALA B 54 23.624 0.810 1.118 1.00 0.52 H new ATOM 0 HA ALA B 54 22.279 2.371 3.182 1.00 0.51 H new ATOM 0 HB1 ALA B 54 20.847 3.027 1.285 1.00 0.63 H new ATOM 0 HB2 ALA B 54 22.570 3.277 0.918 1.00 0.63 H new ATOM 0 HB3 ALA B 54 21.711 1.874 0.239 1.00 0.63 H new ATOM 3135 N PHE B 55 21.205 -0.467 1.968 1.00 0.38 N ATOM 3136 CA PHE B 55 20.216 -1.528 2.097 1.00 0.32 C ATOM 3137 C PHE B 55 20.175 -2.119 3.500 1.00 0.31 C ATOM 3138 O PHE B 55 19.141 -2.641 3.918 1.00 0.31 O ATOM 3139 CB PHE B 55 20.460 -2.626 1.069 1.00 0.41 C ATOM 3140 CG PHE B 55 19.346 -2.714 0.075 1.00 0.36 C ATOM 3141 CD1 PHE B 55 18.184 -3.397 0.390 1.00 1.25 C ATOM 3142 CD2 PHE B 55 19.441 -2.084 -1.153 1.00 1.23 C ATOM 3143 CE1 PHE B 55 17.139 -3.456 -0.505 1.00 1.22 C ATOM 3144 CE2 PHE B 55 18.396 -2.136 -2.050 1.00 1.30 C ATOM 3145 CZ PHE B 55 17.246 -2.820 -1.724 1.00 0.46 C ATOM 0 H PHE B 55 21.981 -0.693 1.345 1.00 0.38 H new ATOM 0 HA PHE B 55 19.244 -1.073 1.908 1.00 0.32 H new ATOM 0 HB2 PHE B 55 21.398 -2.434 0.548 1.00 0.41 H new ATOM 0 HB3 PHE B 55 20.569 -3.583 1.579 1.00 0.41 H new ATOM 0 HD1 PHE B 55 18.096 -3.889 1.348 1.00 1.25 H new ATOM 0 HD2 PHE B 55 20.342 -1.547 -1.411 1.00 1.23 H new ATOM 0 HE1 PHE B 55 16.239 -3.998 -0.253 1.00 1.22 H new ATOM 0 HE2 PHE B 55 18.479 -1.641 -3.007 1.00 1.30 H new ATOM 0 HZ PHE B 55 16.425 -2.858 -2.425 1.00 0.46 H new ATOM 3155 N GLN B 56 21.282 -2.036 4.227 1.00 0.35 N ATOM 3156 CA GLN B 56 21.296 -2.479 5.617 1.00 0.41 C ATOM 3157 C GLN B 56 20.364 -1.591 6.440 1.00 0.42 C ATOM 3158 O GLN B 56 19.741 -2.039 7.400 1.00 0.52 O ATOM 3159 CB GLN B 56 22.718 -2.451 6.191 1.00 0.51 C ATOM 3160 CG GLN B 56 23.325 -1.060 6.274 1.00 0.53 C ATOM 3161 CD GLN B 56 24.734 -1.062 6.833 1.00 0.69 C ATOM 3162 OE1 GLN B 56 25.097 -1.920 7.637 1.00 1.15 O ATOM 3163 NE2 GLN B 56 25.528 -0.091 6.417 1.00 1.53 N ATOM 0 H GLN B 56 22.171 -1.671 3.884 1.00 0.35 H new ATOM 0 HA GLN B 56 20.945 -3.510 5.662 1.00 0.41 H new ATOM 0 HB2 GLN B 56 22.705 -2.890 7.188 1.00 0.51 H new ATOM 0 HB3 GLN B 56 23.360 -3.080 5.574 1.00 0.51 H new ATOM 0 HG2 GLN B 56 23.335 -0.614 5.280 1.00 0.53 H new ATOM 0 HG3 GLN B 56 22.693 -0.430 6.900 1.00 0.53 H new ATOM 0 HE21 GLN B 56 25.183 0.599 5.749 1.00 1.53 H new ATOM 0 HE22 GLN B 56 26.485 -0.031 6.764 1.00 1.53 H new ATOM 3172 N LYS B 57 20.263 -0.334 6.026 1.00 0.36 N ATOM 3173 CA LYS B 57 19.350 0.616 6.641 1.00 0.39 C ATOM 3174 C LYS B 57 17.947 0.411 6.091 1.00 0.34 C ATOM 3175 O LYS B 57 16.964 0.481 6.823 1.00 0.41 O ATOM 3176 CB LYS B 57 19.806 2.047 6.353 1.00 0.44 C ATOM 3177 CG LYS B 57 21.201 2.366 6.861 1.00 0.54 C ATOM 3178 CD LYS B 57 21.702 3.691 6.309 1.00 0.61 C ATOM 3179 CE LYS B 57 23.027 4.094 6.937 1.00 0.79 C ATOM 3180 NZ LYS B 57 22.893 4.347 8.397 1.00 1.27 N ATOM 0 H LYS B 57 20.810 0.053 5.257 1.00 0.36 H new ATOM 0 HA LYS B 57 19.346 0.453 7.719 1.00 0.39 H new ATOM 0 HB2 LYS B 57 19.775 2.217 5.277 1.00 0.44 H new ATOM 0 HB3 LYS B 57 19.098 2.741 6.806 1.00 0.44 H new ATOM 0 HG2 LYS B 57 21.194 2.403 7.950 1.00 0.54 H new ATOM 0 HG3 LYS B 57 21.886 1.568 6.574 1.00 0.54 H new ATOM 0 HD2 LYS B 57 21.819 3.614 5.228 1.00 0.61 H new ATOM 0 HD3 LYS B 57 20.960 4.467 6.495 1.00 0.61 H new ATOM 0 HE2 LYS B 57 23.762 3.307 6.771 1.00 0.79 H new ATOM 0 HE3 LYS B 57 23.404 4.991 6.446 1.00 0.79 H new ATOM 0 HZ1 LYS B 57 23.733 4.856 8.740 1.00 1.27 H new ATOM 0 HZ2 LYS B 57 22.044 4.921 8.573 1.00 1.27 H new ATOM 0 HZ3 LYS B 57 22.808 3.441 8.900 1.00 1.27 H new ATOM 3194 N LEU B 58 17.874 0.147 4.789 1.00 0.27 N ATOM 3195 CA LEU B 58 16.601 -0.023 4.104 1.00 0.25 C ATOM 3196 C LEU B 58 15.818 -1.189 4.685 1.00 0.24 C ATOM 3197 O LEU B 58 14.711 -1.008 5.187 1.00 0.26 O ATOM 3198 CB LEU B 58 16.810 -0.235 2.605 1.00 0.22 C ATOM 3199 CG LEU B 58 15.514 -0.309 1.804 1.00 0.22 C ATOM 3200 CD1 LEU B 58 14.748 0.982 1.947 1.00 0.26 C ATOM 3201 CD2 LEU B 58 15.780 -0.579 0.340 1.00 0.23 C ATOM 0 H LEU B 58 18.690 0.046 4.185 1.00 0.27 H new ATOM 0 HA LEU B 58 16.026 0.891 4.252 1.00 0.25 H new ATOM 0 HB2 LEU B 58 17.421 0.579 2.215 1.00 0.22 H new ATOM 0 HB3 LEU B 58 17.372 -1.156 2.453 1.00 0.22 H new ATOM 0 HG LEU B 58 14.925 -1.136 2.200 1.00 0.22 H new ATOM 0 HD11 LEU B 58 13.824 0.922 1.372 1.00 0.26 H new ATOM 0 HD12 LEU B 58 14.512 1.151 2.998 1.00 0.26 H new ATOM 0 HD13 LEU B 58 15.354 1.808 1.574 1.00 0.26 H new ATOM 0 HD21 LEU B 58 14.834 -0.625 -0.199 1.00 0.23 H new ATOM 0 HD22 LEU B 58 16.394 0.222 -0.072 1.00 0.23 H new ATOM 0 HD23 LEU B 58 16.304 -1.529 0.235 1.00 0.23 H new ATOM 3213 N MET B 59 16.399 -2.379 4.617 1.00 0.24 N ATOM 3214 CA MET B 59 15.773 -3.579 5.168 1.00 0.27 C ATOM 3215 C MET B 59 15.364 -3.364 6.619 1.00 0.34 C ATOM 3216 O MET B 59 14.280 -3.759 7.033 1.00 0.41 O ATOM 3217 CB MET B 59 16.731 -4.766 5.062 1.00 0.28 C ATOM 3218 CG MET B 59 16.376 -5.936 5.969 1.00 0.30 C ATOM 3219 SD MET B 59 14.715 -6.580 5.693 1.00 0.31 S ATOM 3220 CE MET B 59 14.805 -7.032 3.968 1.00 0.25 C ATOM 0 H MET B 59 17.308 -2.542 4.184 1.00 0.24 H new ATOM 0 HA MET B 59 14.874 -3.792 4.589 1.00 0.27 H new ATOM 0 HB2 MET B 59 16.748 -5.114 4.029 1.00 0.28 H new ATOM 0 HB3 MET B 59 17.739 -4.428 5.302 1.00 0.28 H new ATOM 0 HG2 MET B 59 17.098 -6.738 5.815 1.00 0.30 H new ATOM 0 HG3 MET B 59 16.467 -5.621 7.008 1.00 0.30 H new ATOM 0 HE1 MET B 59 13.895 -7.559 3.682 1.00 0.25 H new ATOM 0 HE2 MET B 59 14.909 -6.133 3.361 1.00 0.25 H new ATOM 0 HE3 MET B 59 15.666 -7.680 3.806 1.00 0.25 H new ATOM 3230 N SER B 60 16.221 -2.705 7.376 1.00 0.39 N ATOM 3231 CA SER B 60 15.967 -2.476 8.784 1.00 0.51 C ATOM 3232 C SER B 60 14.786 -1.521 8.985 1.00 0.44 C ATOM 3233 O SER B 60 14.199 -1.473 10.065 1.00 0.51 O ATOM 3234 CB SER B 60 17.229 -1.931 9.449 1.00 0.70 C ATOM 3235 OG SER B 60 17.066 -1.807 10.854 1.00 1.36 O ATOM 0 H SER B 60 17.102 -2.318 7.037 1.00 0.39 H new ATOM 0 HA SER B 60 15.701 -3.424 9.251 1.00 0.51 H new ATOM 0 HB2 SER B 60 18.068 -2.593 9.236 1.00 0.70 H new ATOM 0 HB3 SER B 60 17.475 -0.958 9.023 1.00 0.70 H new ATOM 0 HG SER B 60 17.892 -1.457 11.250 1.00 1.36 H new ATOM 3241 N ASN B 61 14.445 -0.760 7.947 1.00 0.37 N ATOM 3242 CA ASN B 61 13.306 0.145 8.000 1.00 0.42 C ATOM 3243 C ASN B 61 12.054 -0.534 7.475 1.00 0.44 C ATOM 3244 O ASN B 61 10.946 -0.015 7.619 1.00 0.64 O ATOM 3245 CB ASN B 61 13.603 1.442 7.257 1.00 0.46 C ATOM 3246 CG ASN B 61 14.512 2.349 8.066 1.00 0.47 C ATOM 3247 OD1 ASN B 61 15.295 3.169 7.389 1.00 0.96 O flip ATOM 3248 ND2 ASN B 61 14.501 2.319 9.299 1.00 0.92 N flip ATOM 0 H ASN B 61 14.945 -0.755 7.058 1.00 0.37 H new ATOM 0 HA ASN B 61 13.123 0.406 9.042 1.00 0.42 H new ATOM 0 HB2 ASN B 61 14.072 1.215 6.299 1.00 0.46 H new ATOM 0 HB3 ASN B 61 12.669 1.961 7.040 1.00 0.46 H new ATOM 0 HD21 ASN B 61 13.882 1.672 9.788 1.00 0.92 H new ATOM 0 HD22 ASN B 61 15.110 2.941 9.830 1.00 0.92 H new ATOM 3255 N LEU B 62 12.236 -1.707 6.878 1.00 0.33 N ATOM 3256 CA LEU B 62 11.120 -2.545 6.467 1.00 0.39 C ATOM 3257 C LEU B 62 11.093 -3.812 7.300 1.00 0.54 C ATOM 3258 O LEU B 62 10.579 -4.835 6.875 1.00 1.18 O ATOM 3259 CB LEU B 62 11.204 -2.932 4.989 1.00 0.35 C ATOM 3260 CG LEU B 62 10.828 -1.850 3.984 1.00 0.25 C ATOM 3261 CD1 LEU B 62 9.560 -1.131 4.412 1.00 0.24 C ATOM 3262 CD2 LEU B 62 11.968 -0.881 3.778 1.00 0.22 C ATOM 0 H LEU B 62 13.154 -2.099 6.668 1.00 0.33 H new ATOM 0 HA LEU B 62 10.210 -1.965 6.619 1.00 0.39 H new ATOM 0 HB2 LEU B 62 12.223 -3.256 4.778 1.00 0.35 H new ATOM 0 HB3 LEU B 62 10.556 -3.792 4.824 1.00 0.35 H new ATOM 0 HG LEU B 62 10.629 -2.332 3.027 1.00 0.25 H new ATOM 0 HD11 LEU B 62 9.312 -0.363 3.679 1.00 0.24 H new ATOM 0 HD12 LEU B 62 8.741 -1.847 4.479 1.00 0.24 H new ATOM 0 HD13 LEU B 62 9.716 -0.666 5.385 1.00 0.24 H new ATOM 0 HD21 LEU B 62 11.672 -0.120 3.056 1.00 0.22 H new ATOM 0 HD22 LEU B 62 12.217 -0.405 4.726 1.00 0.22 H new ATOM 0 HD23 LEU B 62 12.839 -1.418 3.402 1.00 0.22 H new ATOM 3274 N ASP B 63 11.657 -3.752 8.485 1.00 0.31 N ATOM 3275 CA ASP B 63 11.662 -4.902 9.363 1.00 0.33 C ATOM 3276 C ASP B 63 11.758 -4.438 10.803 1.00 0.37 C ATOM 3277 O ASP B 63 12.833 -4.066 11.281 1.00 0.43 O ATOM 3278 CB ASP B 63 12.819 -5.840 9.005 1.00 0.40 C ATOM 3279 CG ASP B 63 12.764 -7.167 9.733 1.00 0.38 C ATOM 3280 OD1 ASP B 63 11.985 -7.296 10.702 1.00 1.08 O ATOM 3281 OD2 ASP B 63 13.500 -8.094 9.341 1.00 1.15 O ATOM 0 H ASP B 63 12.117 -2.923 8.863 1.00 0.31 H new ATOM 0 HA ASP B 63 10.733 -5.459 9.238 1.00 0.33 H new ATOM 0 HB2 ASP B 63 12.810 -6.023 7.930 1.00 0.40 H new ATOM 0 HB3 ASP B 63 13.763 -5.346 9.236 1.00 0.40 H new ATOM 3286 N SER B 64 10.625 -4.429 11.482 1.00 0.43 N ATOM 3287 CA SER B 64 10.557 -3.956 12.854 1.00 0.52 C ATOM 3288 C SER B 64 11.045 -5.019 13.843 1.00 0.58 C ATOM 3289 O SER B 64 11.101 -4.777 15.048 1.00 0.71 O ATOM 3290 CB SER B 64 9.131 -3.518 13.178 1.00 0.67 C ATOM 3291 OG SER B 64 8.738 -2.429 12.355 1.00 1.14 O ATOM 0 H SER B 64 9.733 -4.746 11.103 1.00 0.43 H new ATOM 0 HA SER B 64 11.223 -3.099 12.955 1.00 0.52 H new ATOM 0 HB2 SER B 64 8.447 -4.354 13.033 1.00 0.67 H new ATOM 0 HB3 SER B 64 9.064 -3.230 14.227 1.00 0.67 H new ATOM 0 HG SER B 64 7.821 -2.165 12.578 1.00 1.14 H new ATOM 3297 N ASN B 65 11.401 -6.192 13.331 1.00 0.60 N ATOM 3298 CA ASN B 65 12.001 -7.237 14.156 1.00 0.75 C ATOM 3299 C ASN B 65 13.483 -7.360 13.841 1.00 0.76 C ATOM 3300 O ASN B 65 14.264 -7.881 14.640 1.00 0.91 O ATOM 3301 CB ASN B 65 11.302 -8.580 13.929 1.00 0.89 C ATOM 3302 CG ASN B 65 9.981 -8.685 14.664 1.00 1.52 C ATOM 3303 OD1 ASN B 65 8.939 -8.275 14.157 1.00 1.87 O ATOM 3304 ND2 ASN B 65 10.016 -9.247 15.862 1.00 2.34 N ATOM 0 H ASN B 65 11.285 -6.444 12.349 1.00 0.60 H new ATOM 0 HA ASN B 65 11.879 -6.961 15.203 1.00 0.75 H new ATOM 0 HB2 ASN B 65 11.131 -8.720 12.862 1.00 0.89 H new ATOM 0 HB3 ASN B 65 11.959 -9.386 14.255 1.00 0.89 H new ATOM 0 HD21 ASN B 65 9.156 -9.353 16.401 1.00 2.34 H new ATOM 0 HD22 ASN B 65 10.902 -9.574 16.246 1.00 2.34 H new ATOM 3311 N ARG B 66 13.844 -6.863 12.664 1.00 0.68 N ATOM 3312 CA ARG B 66 15.218 -6.864 12.172 1.00 0.81 C ATOM 3313 C ARG B 66 15.784 -8.275 12.072 1.00 0.88 C ATOM 3314 O ARG B 66 16.684 -8.662 12.820 1.00 1.11 O ATOM 3315 CB ARG B 66 16.119 -5.969 13.021 1.00 1.04 C ATOM 3316 CG ARG B 66 15.710 -4.509 12.981 1.00 1.10 C ATOM 3317 CD ARG B 66 16.759 -3.610 13.608 1.00 1.39 C ATOM 3318 NE ARG B 66 17.008 -3.935 15.008 1.00 2.08 N ATOM 3319 CZ ARG B 66 18.192 -3.795 15.599 1.00 2.77 C ATOM 3320 NH1 ARG B 66 19.247 -3.397 14.892 1.00 2.86 N ATOM 3321 NH2 ARG B 66 18.326 -4.066 16.889 1.00 3.79 N ATOM 0 H ARG B 66 13.181 -6.441 12.014 1.00 0.68 H new ATOM 0 HA ARG B 66 15.194 -6.450 11.164 1.00 0.81 H new ATOM 0 HB2 ARG B 66 16.100 -6.318 14.053 1.00 1.04 H new ATOM 0 HB3 ARG B 66 17.147 -6.062 12.672 1.00 1.04 H new ATOM 0 HG2 ARG B 66 15.544 -4.207 11.947 1.00 1.10 H new ATOM 0 HG3 ARG B 66 14.763 -4.383 13.506 1.00 1.10 H new ATOM 0 HD2 ARG B 66 17.690 -3.697 13.047 1.00 1.39 H new ATOM 0 HD3 ARG B 66 16.436 -2.572 13.531 1.00 1.39 H new ATOM 0 HE ARG B 66 16.231 -4.290 15.565 1.00 2.08 H new ATOM 0 HH11 ARG B 66 19.148 -3.199 13.896 1.00 2.86 H new ATOM 0 HH12 ARG B 66 20.154 -3.290 15.346 1.00 2.86 H new ATOM 0 HH21 ARG B 66 17.521 -4.382 17.430 1.00 3.79 H new ATOM 0 HH22 ARG B 66 19.234 -3.958 17.341 1.00 3.79 H new ATOM 3335 N ASP B 67 15.231 -9.042 11.147 1.00 0.75 N ATOM 3336 CA ASP B 67 15.750 -10.363 10.821 1.00 0.88 C ATOM 3337 C ASP B 67 16.240 -10.354 9.386 1.00 0.77 C ATOM 3338 O ASP B 67 16.641 -11.385 8.841 1.00 0.96 O ATOM 3339 CB ASP B 67 14.675 -11.442 10.995 1.00 1.00 C ATOM 3340 CG ASP B 67 14.338 -11.713 12.447 1.00 1.39 C ATOM 3341 OD1 ASP B 67 15.185 -12.287 13.160 1.00 1.95 O ATOM 3342 OD2 ASP B 67 13.217 -11.369 12.880 1.00 1.93 O ATOM 0 H ASP B 67 14.413 -8.769 10.602 1.00 0.75 H new ATOM 0 HA ASP B 67 16.570 -10.596 11.501 1.00 0.88 H new ATOM 0 HB2 ASP B 67 13.771 -11.135 10.469 1.00 1.00 H new ATOM 0 HB3 ASP B 67 15.017 -12.366 10.528 1.00 1.00 H new ATOM 3347 N ASN B 68 16.191 -9.167 8.788 1.00 0.62 N ATOM 3348 CA ASN B 68 16.571 -8.962 7.396 1.00 0.55 C ATOM 3349 C ASN B 68 15.672 -9.766 6.480 1.00 0.43 C ATOM 3350 O ASN B 68 16.123 -10.323 5.481 1.00 0.57 O ATOM 3351 CB ASN B 68 18.039 -9.318 7.147 1.00 0.77 C ATOM 3352 CG ASN B 68 18.993 -8.368 7.835 1.00 1.30 C ATOM 3353 OD1 ASN B 68 18.673 -7.201 8.072 1.00 1.41 O ATOM 3354 ND2 ASN B 68 20.181 -8.854 8.141 1.00 2.22 N ATOM 0 H ASN B 68 15.885 -8.316 9.260 1.00 0.62 H new ATOM 0 HA ASN B 68 16.448 -7.902 7.176 1.00 0.55 H new ATOM 0 HB2 ASN B 68 18.227 -10.333 7.497 1.00 0.77 H new ATOM 0 HB3 ASN B 68 18.234 -9.310 6.075 1.00 0.77 H new ATOM 0 HD21 ASN B 68 20.875 -8.258 8.591 1.00 2.22 H new ATOM 0 HD22 ASN B 68 20.405 -9.826 7.927 1.00 2.22 H new ATOM 3361 N GLU B 69 14.396 -9.816 6.822 1.00 0.42 N ATOM 3362 CA GLU B 69 13.421 -10.513 6.008 1.00 0.42 C ATOM 3363 C GLU B 69 12.036 -9.919 6.221 1.00 0.39 C ATOM 3364 O GLU B 69 11.440 -10.040 7.293 1.00 0.54 O ATOM 3365 CB GLU B 69 13.427 -12.019 6.307 1.00 0.60 C ATOM 3366 CG GLU B 69 13.273 -12.365 7.779 1.00 1.04 C ATOM 3367 CD GLU B 69 13.228 -13.858 8.024 1.00 1.44 C ATOM 3368 OE1 GLU B 69 14.303 -14.490 8.079 1.00 1.84 O ATOM 3369 OE2 GLU B 69 12.116 -14.408 8.170 1.00 2.09 O ATOM 0 H GLU B 69 14.012 -9.380 7.661 1.00 0.42 H new ATOM 0 HA GLU B 69 13.693 -10.385 4.960 1.00 0.42 H new ATOM 0 HB2 GLU B 69 12.619 -12.492 5.748 1.00 0.60 H new ATOM 0 HB3 GLU B 69 14.360 -12.447 5.941 1.00 0.60 H new ATOM 0 HG2 GLU B 69 14.103 -11.933 8.339 1.00 1.04 H new ATOM 0 HG3 GLU B 69 12.360 -11.910 8.162 1.00 1.04 H new ATOM 3376 N VAL B 70 11.547 -9.263 5.189 1.00 0.28 N ATOM 3377 CA VAL B 70 10.272 -8.580 5.236 1.00 0.25 C ATOM 3378 C VAL B 70 9.106 -9.553 5.128 1.00 0.25 C ATOM 3379 O VAL B 70 9.048 -10.377 4.211 1.00 0.33 O ATOM 3380 CB VAL B 70 10.191 -7.511 4.127 1.00 0.26 C ATOM 3381 CG1 VAL B 70 8.770 -7.034 3.910 1.00 0.29 C ATOM 3382 CG2 VAL B 70 11.071 -6.346 4.490 1.00 0.30 C ATOM 0 H VAL B 70 12.025 -9.189 4.291 1.00 0.28 H new ATOM 0 HA VAL B 70 10.198 -8.087 6.205 1.00 0.25 H new ATOM 0 HB VAL B 70 10.534 -7.963 3.196 1.00 0.26 H new ATOM 0 HG11 VAL B 70 8.755 -6.282 3.121 1.00 0.29 H new ATOM 0 HG12 VAL B 70 8.144 -7.877 3.619 1.00 0.29 H new ATOM 0 HG13 VAL B 70 8.387 -6.599 4.833 1.00 0.29 H new ATOM 0 HG21 VAL B 70 11.015 -5.590 3.707 1.00 0.30 H new ATOM 0 HG22 VAL B 70 10.735 -5.917 5.434 1.00 0.30 H new ATOM 0 HG23 VAL B 70 12.101 -6.686 4.592 1.00 0.30 H new ATOM 3392 N ASP B 71 8.199 -9.459 6.093 1.00 0.25 N ATOM 3393 CA ASP B 71 6.987 -10.267 6.108 1.00 0.29 C ATOM 3394 C ASP B 71 5.878 -9.548 5.340 1.00 0.22 C ATOM 3395 O ASP B 71 6.040 -8.394 4.956 1.00 0.21 O ATOM 3396 CB ASP B 71 6.567 -10.554 7.558 1.00 0.42 C ATOM 3397 CG ASP B 71 5.369 -11.482 7.673 1.00 1.18 C ATOM 3398 OD1 ASP B 71 5.138 -12.288 6.753 1.00 1.72 O ATOM 3399 OD2 ASP B 71 4.647 -11.404 8.683 1.00 2.06 O ATOM 0 H ASP B 71 8.283 -8.822 6.885 1.00 0.25 H new ATOM 0 HA ASP B 71 7.177 -11.222 5.617 1.00 0.29 H new ATOM 0 HB2 ASP B 71 7.410 -10.995 8.091 1.00 0.42 H new ATOM 0 HB3 ASP B 71 6.334 -9.611 8.053 1.00 0.42 H new ATOM 3404 N PHE B 72 4.755 -10.225 5.139 1.00 0.21 N ATOM 3405 CA PHE B 72 3.701 -9.748 4.254 1.00 0.19 C ATOM 3406 C PHE B 72 3.196 -8.349 4.632 1.00 0.15 C ATOM 3407 O PHE B 72 3.192 -7.450 3.790 1.00 0.14 O ATOM 3408 CB PHE B 72 2.540 -10.740 4.238 1.00 0.21 C ATOM 3409 CG PHE B 72 1.678 -10.648 3.008 1.00 0.20 C ATOM 3410 CD1 PHE B 72 1.964 -9.738 1.999 1.00 1.19 C ATOM 3411 CD2 PHE B 72 0.588 -11.485 2.856 1.00 1.18 C ATOM 3412 CE1 PHE B 72 1.180 -9.663 0.869 1.00 1.20 C ATOM 3413 CE2 PHE B 72 -0.198 -11.417 1.727 1.00 1.20 C ATOM 3414 CZ PHE B 72 0.097 -10.505 0.731 1.00 0.32 C ATOM 0 H PHE B 72 4.549 -11.119 5.584 1.00 0.21 H new ATOM 0 HA PHE B 72 4.134 -9.671 3.256 1.00 0.19 H new ATOM 0 HB2 PHE B 72 2.938 -11.752 4.316 1.00 0.21 H new ATOM 0 HB3 PHE B 72 1.919 -10.573 5.118 1.00 0.21 H new ATOM 0 HD1 PHE B 72 2.814 -9.079 2.102 1.00 1.19 H new ATOM 0 HD2 PHE B 72 0.351 -12.199 3.630 1.00 1.18 H new ATOM 0 HE1 PHE B 72 1.413 -8.948 0.094 1.00 1.20 H new ATOM 0 HE2 PHE B 72 -1.046 -12.077 1.620 1.00 1.20 H new ATOM 0 HZ PHE B 72 -0.520 -10.452 -0.154 1.00 0.32 H new ATOM 3424 N GLN B 73 2.765 -8.151 5.877 1.00 0.15 N ATOM 3425 CA GLN B 73 2.247 -6.845 6.280 1.00 0.14 C ATOM 3426 C GLN B 73 3.344 -5.788 6.195 1.00 0.12 C ATOM 3427 O GLN B 73 3.074 -4.655 5.802 1.00 0.13 O ATOM 3428 CB GLN B 73 1.627 -6.873 7.687 1.00 0.16 C ATOM 3429 CG GLN B 73 1.039 -5.545 8.122 1.00 0.26 C ATOM 3430 CD GLN B 73 0.485 -5.599 9.530 1.00 0.22 C ATOM 3431 OE1 GLN B 73 -0.057 -6.619 9.963 1.00 0.68 O ATOM 3432 NE2 GLN B 73 0.672 -4.525 10.272 1.00 0.60 N ATOM 0 H GLN B 73 2.763 -8.861 6.610 1.00 0.15 H new ATOM 0 HA GLN B 73 1.449 -6.584 5.585 1.00 0.14 H new ATOM 0 HB2 GLN B 73 0.846 -7.632 7.715 1.00 0.16 H new ATOM 0 HB3 GLN B 73 2.390 -7.175 8.404 1.00 0.16 H new ATOM 0 HG2 GLN B 73 1.807 -4.773 8.065 1.00 0.26 H new ATOM 0 HG3 GLN B 73 0.246 -5.257 7.432 1.00 0.26 H new ATOM 0 HE21 GLN B 73 1.125 -3.702 9.874 1.00 0.60 H new ATOM 0 HE22 GLN B 73 0.364 -4.517 11.244 1.00 0.60 H new ATOM 3441 N GLU B 74 4.587 -6.173 6.498 1.00 0.14 N ATOM 3442 CA GLU B 74 5.699 -5.241 6.456 1.00 0.17 C ATOM 3443 C GLU B 74 6.025 -4.904 5.004 1.00 0.14 C ATOM 3444 O GLU B 74 6.486 -3.809 4.687 1.00 0.16 O ATOM 3445 CB GLU B 74 6.924 -5.836 7.143 1.00 0.27 C ATOM 3446 CG GLU B 74 7.896 -4.793 7.667 1.00 0.38 C ATOM 3447 CD GLU B 74 7.533 -4.285 9.043 1.00 0.43 C ATOM 3448 OE1 GLU B 74 6.733 -3.335 9.137 1.00 1.10 O ATOM 3449 OE2 GLU B 74 8.041 -4.842 10.043 1.00 1.21 O ATOM 0 H GLU B 74 4.840 -7.122 6.773 1.00 0.14 H new ATOM 0 HA GLU B 74 5.418 -4.331 6.986 1.00 0.17 H new ATOM 0 HB2 GLU B 74 6.596 -6.463 7.972 1.00 0.27 H new ATOM 0 HB3 GLU B 74 7.445 -6.485 6.439 1.00 0.27 H new ATOM 0 HG2 GLU B 74 8.898 -5.221 7.697 1.00 0.38 H new ATOM 0 HG3 GLU B 74 7.928 -3.953 6.973 1.00 0.38 H new ATOM 3456 N TYR B 75 5.767 -5.864 4.124 1.00 0.14 N ATOM 3457 CA TYR B 75 5.942 -5.674 2.692 1.00 0.14 C ATOM 3458 C TYR B 75 4.919 -4.677 2.172 1.00 0.11 C ATOM 3459 O TYR B 75 5.204 -3.880 1.284 1.00 0.13 O ATOM 3460 CB TYR B 75 5.797 -7.018 1.958 1.00 0.16 C ATOM 3461 CG TYR B 75 5.951 -6.933 0.454 1.00 0.17 C ATOM 3462 CD1 TYR B 75 4.908 -6.487 -0.350 1.00 1.19 C ATOM 3463 CD2 TYR B 75 7.142 -7.294 -0.159 1.00 1.21 C ATOM 3464 CE1 TYR B 75 5.046 -6.401 -1.722 1.00 1.20 C ATOM 3465 CE2 TYR B 75 7.288 -7.209 -1.535 1.00 1.22 C ATOM 3466 CZ TYR B 75 6.237 -6.760 -2.309 1.00 0.22 C ATOM 3467 OH TYR B 75 6.375 -6.675 -3.676 1.00 0.26 O ATOM 0 H TYR B 75 5.432 -6.792 4.383 1.00 0.14 H new ATOM 0 HA TYR B 75 6.942 -5.281 2.506 1.00 0.14 H new ATOM 0 HB2 TYR B 75 6.541 -7.712 2.348 1.00 0.16 H new ATOM 0 HB3 TYR B 75 4.818 -7.439 2.187 1.00 0.16 H new ATOM 0 HD1 TYR B 75 3.972 -6.202 0.107 1.00 1.19 H new ATOM 0 HD2 TYR B 75 7.966 -7.646 0.444 1.00 1.21 H new ATOM 0 HE1 TYR B 75 4.224 -6.054 -2.330 1.00 1.20 H new ATOM 0 HE2 TYR B 75 8.221 -7.493 -2.000 1.00 1.22 H new ATOM 0 HH TYR B 75 6.710 -5.786 -3.916 1.00 0.26 H new ATOM 3477 N CYS B 76 3.728 -4.716 2.734 1.00 0.11 N ATOM 3478 CA CYS B 76 2.655 -3.881 2.246 1.00 0.12 C ATOM 3479 C CYS B 76 2.690 -2.499 2.887 1.00 0.12 C ATOM 3480 O CYS B 76 2.423 -1.504 2.218 1.00 0.13 O ATOM 3481 CB CYS B 76 1.308 -4.556 2.485 1.00 0.14 C ATOM 3482 SG CYS B 76 1.235 -6.264 1.902 1.00 0.22 S ATOM 0 H CYS B 76 3.482 -5.313 3.523 1.00 0.11 H new ATOM 0 HA CYS B 76 2.792 -3.748 1.173 1.00 0.12 H new ATOM 0 HB2 CYS B 76 1.087 -4.536 3.552 1.00 0.14 H new ATOM 0 HB3 CYS B 76 0.529 -3.978 1.987 1.00 0.14 H new ATOM 0 HG CYS B 76 2.043 -6.998 2.607 1.00 0.22 H new ATOM 3488 N VAL B 77 3.014 -2.424 4.175 1.00 0.13 N ATOM 3489 CA VAL B 77 3.221 -1.128 4.811 1.00 0.14 C ATOM 3490 C VAL B 77 4.376 -0.431 4.112 1.00 0.14 C ATOM 3491 O VAL B 77 4.354 0.773 3.927 1.00 0.19 O ATOM 3492 CB VAL B 77 3.504 -1.247 6.325 1.00 0.16 C ATOM 3493 CG1 VAL B 77 4.668 -2.168 6.544 1.00 0.14 C ATOM 3494 CG2 VAL B 77 3.779 0.111 6.967 1.00 0.20 C ATOM 0 H VAL B 77 3.137 -3.229 4.789 1.00 0.13 H new ATOM 0 HA VAL B 77 2.303 -0.548 4.715 1.00 0.14 H new ATOM 0 HB VAL B 77 2.612 -1.654 6.802 1.00 0.16 H new ATOM 0 HG11 VAL B 77 4.869 -2.253 7.612 1.00 0.14 H new ATOM 0 HG12 VAL B 77 4.434 -3.153 6.139 1.00 0.14 H new ATOM 0 HG13 VAL B 77 5.548 -1.768 6.040 1.00 0.14 H new ATOM 0 HG21 VAL B 77 3.972 -0.022 8.031 1.00 0.20 H new ATOM 0 HG22 VAL B 77 4.649 0.567 6.494 1.00 0.20 H new ATOM 0 HG23 VAL B 77 2.912 0.758 6.834 1.00 0.20 H new ATOM 3504 N PHE B 78 5.366 -1.221 3.703 1.00 0.11 N ATOM 3505 CA PHE B 78 6.428 -0.751 2.824 1.00 0.11 C ATOM 3506 C PHE B 78 5.835 0.022 1.661 1.00 0.11 C ATOM 3507 O PHE B 78 6.248 1.142 1.359 1.00 0.11 O ATOM 3508 CB PHE B 78 7.214 -1.956 2.298 1.00 0.12 C ATOM 3509 CG PHE B 78 7.998 -1.687 1.047 1.00 0.12 C ATOM 3510 CD1 PHE B 78 9.262 -1.141 1.117 1.00 1.17 C ATOM 3511 CD2 PHE B 78 7.463 -1.990 -0.198 1.00 1.18 C ATOM 3512 CE1 PHE B 78 9.988 -0.897 -0.032 1.00 1.18 C ATOM 3513 CE2 PHE B 78 8.180 -1.747 -1.352 1.00 1.18 C ATOM 3514 CZ PHE B 78 9.446 -1.200 -1.269 1.00 0.15 C ATOM 0 H PHE B 78 5.453 -2.201 3.972 1.00 0.11 H new ATOM 0 HA PHE B 78 7.095 -0.092 3.380 1.00 0.11 H new ATOM 0 HB2 PHE B 78 7.899 -2.295 3.075 1.00 0.12 H new ATOM 0 HB3 PHE B 78 6.518 -2.773 2.107 1.00 0.12 H new ATOM 0 HD1 PHE B 78 9.689 -0.902 2.080 1.00 1.17 H new ATOM 0 HD2 PHE B 78 6.475 -2.421 -0.264 1.00 1.18 H new ATOM 0 HE1 PHE B 78 10.978 -0.470 0.035 1.00 1.18 H new ATOM 0 HE2 PHE B 78 7.753 -1.983 -2.316 1.00 1.18 H new ATOM 0 HZ PHE B 78 10.012 -1.009 -2.169 1.00 0.15 H new ATOM 3524 N LEU B 79 4.849 -0.592 1.032 1.00 0.14 N ATOM 3525 CA LEU B 79 4.192 -0.013 -0.116 1.00 0.16 C ATOM 3526 C LEU B 79 3.495 1.284 0.234 1.00 0.17 C ATOM 3527 O LEU B 79 3.665 2.300 -0.438 1.00 0.20 O ATOM 3528 CB LEU B 79 3.186 -0.995 -0.704 1.00 0.15 C ATOM 3529 CG LEU B 79 3.753 -1.982 -1.712 1.00 0.15 C ATOM 3530 CD1 LEU B 79 3.469 -3.406 -1.287 1.00 0.19 C ATOM 3531 CD2 LEU B 79 3.148 -1.708 -3.067 1.00 0.14 C ATOM 0 H LEU B 79 4.485 -1.505 1.306 1.00 0.14 H new ATOM 0 HA LEU B 79 4.962 0.205 -0.856 1.00 0.16 H new ATOM 0 HB2 LEU B 79 2.731 -1.556 0.112 1.00 0.15 H new ATOM 0 HB3 LEU B 79 2.388 -0.428 -1.184 1.00 0.15 H new ATOM 0 HG LEU B 79 4.835 -1.858 -1.764 1.00 0.15 H new ATOM 0 HD11 LEU B 79 3.884 -4.095 -2.023 1.00 0.19 H new ATOM 0 HD12 LEU B 79 3.927 -3.594 -0.316 1.00 0.19 H new ATOM 0 HD13 LEU B 79 2.392 -3.556 -1.216 1.00 0.19 H new ATOM 0 HD21 LEU B 79 3.551 -2.413 -3.795 1.00 0.14 H new ATOM 0 HD22 LEU B 79 2.065 -1.822 -3.012 1.00 0.14 H new ATOM 0 HD23 LEU B 79 3.390 -0.691 -3.375 1.00 0.14 H new ATOM 3543 N SER B 80 2.733 1.261 1.303 1.00 0.19 N ATOM 3544 CA SER B 80 1.946 2.406 1.677 1.00 0.21 C ATOM 3545 C SER B 80 2.835 3.503 2.224 1.00 0.20 C ATOM 3546 O SER B 80 2.498 4.679 2.166 1.00 0.24 O ATOM 3547 CB SER B 80 0.898 1.976 2.679 1.00 0.22 C ATOM 3548 OG SER B 80 1.409 1.002 3.569 1.00 0.18 O ATOM 0 H SER B 80 2.643 0.460 1.928 1.00 0.19 H new ATOM 0 HA SER B 80 1.440 2.814 0.802 1.00 0.21 H new ATOM 0 HB2 SER B 80 0.554 2.843 3.243 1.00 0.22 H new ATOM 0 HB3 SER B 80 0.032 1.573 2.153 1.00 0.22 H new ATOM 0 HG SER B 80 0.693 0.384 3.824 1.00 0.18 H new ATOM 3554 N CYS B 81 3.983 3.107 2.728 1.00 0.17 N ATOM 3555 CA CYS B 81 4.986 4.040 3.181 1.00 0.18 C ATOM 3556 C CYS B 81 5.712 4.672 2.013 1.00 0.33 C ATOM 3557 O CYS B 81 6.413 5.654 2.188 1.00 0.72 O ATOM 3558 CB CYS B 81 5.963 3.348 4.110 1.00 0.30 C ATOM 3559 SG CYS B 81 5.198 2.804 5.647 1.00 1.83 S ATOM 0 H CYS B 81 4.246 2.127 2.835 1.00 0.17 H new ATOM 0 HA CYS B 81 4.487 4.838 3.731 1.00 0.18 H new ATOM 0 HB2 CYS B 81 6.395 2.487 3.600 1.00 0.30 H new ATOM 0 HB3 CYS B 81 6.784 4.028 4.339 1.00 0.30 H new ATOM 0 HG CYS B 81 4.714 3.832 6.278 1.00 1.83 H new ATOM 3565 N ILE B 82 5.579 4.090 0.832 1.00 0.17 N ATOM 3566 CA ILE B 82 6.035 4.753 -0.375 1.00 0.19 C ATOM 3567 C ILE B 82 4.964 5.727 -0.842 1.00 0.21 C ATOM 3568 O ILE B 82 5.228 6.908 -1.046 1.00 0.28 O ATOM 3569 CB ILE B 82 6.369 3.765 -1.520 1.00 0.19 C ATOM 3570 CG1 ILE B 82 7.525 2.848 -1.118 1.00 0.24 C ATOM 3571 CG2 ILE B 82 6.724 4.527 -2.788 1.00 0.24 C ATOM 3572 CD1 ILE B 82 8.316 2.326 -2.302 1.00 0.41 C ATOM 0 H ILE B 82 5.164 3.170 0.685 1.00 0.17 H new ATOM 0 HA ILE B 82 6.959 5.276 -0.128 1.00 0.19 H new ATOM 0 HB ILE B 82 5.489 3.151 -1.712 1.00 0.19 H new ATOM 0 HG12 ILE B 82 8.196 3.391 -0.453 1.00 0.24 H new ATOM 0 HG13 ILE B 82 7.130 2.004 -0.553 1.00 0.24 H new ATOM 0 HG21 ILE B 82 6.956 3.820 -3.584 1.00 0.24 H new ATOM 0 HG22 ILE B 82 5.879 5.147 -3.088 1.00 0.24 H new ATOM 0 HG23 ILE B 82 7.591 5.161 -2.601 1.00 0.24 H new ATOM 0 HD11 ILE B 82 9.121 1.682 -1.947 1.00 0.41 H new ATOM 0 HD12 ILE B 82 7.657 1.756 -2.957 1.00 0.41 H new ATOM 0 HD13 ILE B 82 8.739 3.165 -2.855 1.00 0.41 H new ATOM 3584 N ALA B 83 3.744 5.223 -0.963 1.00 0.26 N ATOM 3585 CA ALA B 83 2.612 6.024 -1.406 1.00 0.32 C ATOM 3586 C ALA B 83 2.383 7.226 -0.499 1.00 0.32 C ATOM 3587 O ALA B 83 2.331 8.363 -0.958 1.00 0.35 O ATOM 3588 CB ALA B 83 1.367 5.169 -1.445 1.00 0.42 C ATOM 0 H ALA B 83 3.512 4.251 -0.758 1.00 0.26 H new ATOM 0 HA ALA B 83 2.837 6.398 -2.405 1.00 0.32 H new ATOM 0 HB1 ALA B 83 0.522 5.772 -1.777 1.00 0.42 H new ATOM 0 HB2 ALA B 83 1.516 4.341 -2.138 1.00 0.42 H new ATOM 0 HB3 ALA B 83 1.164 4.777 -0.449 1.00 0.42 H new ATOM 3594 N MET B 84 2.254 6.961 0.790 1.00 0.33 N ATOM 3595 CA MET B 84 2.016 8.006 1.776 1.00 0.36 C ATOM 3596 C MET B 84 3.198 8.950 1.861 1.00 0.36 C ATOM 3597 O MET B 84 3.048 10.134 2.155 1.00 0.48 O ATOM 3598 CB MET B 84 1.746 7.378 3.123 1.00 0.38 C ATOM 3599 CG MET B 84 1.516 8.360 4.251 1.00 0.44 C ATOM 3600 SD MET B 84 1.329 7.484 5.806 1.00 0.38 S ATOM 3601 CE MET B 84 2.444 6.131 5.466 1.00 0.22 C ATOM 0 H MET B 84 2.311 6.021 1.183 1.00 0.33 H new ATOM 0 HA MET B 84 1.146 8.586 1.468 1.00 0.36 H new ATOM 0 HB2 MET B 84 0.871 6.734 3.038 1.00 0.38 H new ATOM 0 HB3 MET B 84 2.589 6.738 3.384 1.00 0.38 H new ATOM 0 HG2 MET B 84 2.354 9.055 4.315 1.00 0.44 H new ATOM 0 HG3 MET B 84 0.624 8.954 4.050 1.00 0.44 H new ATOM 0 HE1 MET B 84 2.778 5.690 6.405 1.00 0.22 H new ATOM 0 HE2 MET B 84 1.929 5.375 4.873 1.00 0.22 H new ATOM 0 HE3 MET B 84 3.307 6.501 4.912 1.00 0.22 H new ATOM 3611 N MET B 85 4.374 8.422 1.588 1.00 0.28 N ATOM 3612 CA MET B 85 5.575 9.225 1.573 1.00 0.29 C ATOM 3613 C MET B 85 5.590 10.120 0.336 1.00 0.34 C ATOM 3614 O MET B 85 6.236 11.165 0.313 1.00 0.48 O ATOM 3615 CB MET B 85 6.784 8.328 1.597 1.00 0.28 C ATOM 3616 CG MET B 85 8.049 9.070 1.947 1.00 0.32 C ATOM 3617 SD MET B 85 9.376 8.742 0.779 1.00 0.29 S ATOM 3618 CE MET B 85 9.542 6.995 1.083 1.00 0.25 C ATOM 0 H MET B 85 4.521 7.436 1.373 1.00 0.28 H new ATOM 0 HA MET B 85 5.596 9.863 2.457 1.00 0.29 H new ATOM 0 HB2 MET B 85 6.624 7.528 2.320 1.00 0.28 H new ATOM 0 HB3 MET B 85 6.902 7.857 0.621 1.00 0.28 H new ATOM 0 HG2 MET B 85 7.845 10.140 1.971 1.00 0.32 H new ATOM 0 HG3 MET B 85 8.370 8.784 2.949 1.00 0.32 H new ATOM 0 HE1 MET B 85 10.584 6.702 0.959 1.00 0.25 H new ATOM 0 HE2 MET B 85 9.220 6.770 2.100 1.00 0.25 H new ATOM 0 HE3 MET B 85 8.923 6.442 0.376 1.00 0.25 H new ATOM 3628 N CYS B 86 4.856 9.690 -0.681 1.00 0.31 N ATOM 3629 CA CYS B 86 4.733 10.419 -1.936 1.00 0.34 C ATOM 3630 C CYS B 86 3.717 11.549 -1.828 1.00 0.39 C ATOM 3631 O CYS B 86 3.698 12.446 -2.671 1.00 0.46 O ATOM 3632 CB CYS B 86 4.310 9.460 -3.053 1.00 0.39 C ATOM 3633 SG CYS B 86 4.037 10.256 -4.651 1.00 0.94 S ATOM 0 H CYS B 86 4.325 8.819 -0.658 1.00 0.31 H new ATOM 0 HA CYS B 86 5.705 10.855 -2.166 1.00 0.34 H new ATOM 0 HB2 CYS B 86 5.077 8.694 -3.168 1.00 0.39 H new ATOM 0 HB3 CYS B 86 3.394 8.952 -2.752 1.00 0.39 H new ATOM 0 HG CYS B 86 3.968 11.544 -4.488 1.00 0.94 H new ATOM 3639 N ASN B 87 2.871 11.482 -0.798 1.00 0.45 N ATOM 3640 CA ASN B 87 1.750 12.415 -0.624 1.00 0.58 C ATOM 3641 C ASN B 87 2.122 13.845 -0.999 1.00 0.68 C ATOM 3642 O ASN B 87 1.603 14.385 -1.972 1.00 0.89 O ATOM 3643 CB ASN B 87 1.252 12.390 0.820 1.00 0.72 C ATOM 3644 CG ASN B 87 0.026 13.263 1.028 1.00 1.10 C ATOM 3645 OD1 ASN B 87 -0.818 13.393 0.140 1.00 1.72 O ATOM 3646 ND2 ASN B 87 -0.066 13.883 2.191 1.00 1.77 N ATOM 0 H ASN B 87 2.941 10.781 -0.060 1.00 0.45 H new ATOM 0 HA ASN B 87 0.960 12.083 -1.298 1.00 0.58 H new ATOM 0 HB2 ASN B 87 1.015 11.364 1.102 1.00 0.72 H new ATOM 0 HB3 ASN B 87 2.050 12.726 1.482 1.00 0.72 H new ATOM 0 HD21 ASN B 87 -0.858 14.497 2.380 1.00 1.77 H new ATOM 0 HD22 ASN B 87 0.655 13.748 2.900 1.00 1.77 H new ATOM 3653 N GLU B 88 3.050 14.435 -0.255 1.00 0.70 N ATOM 3654 CA GLU B 88 3.416 15.830 -0.464 1.00 0.89 C ATOM 3655 C GLU B 88 3.960 16.068 -1.873 1.00 0.86 C ATOM 3656 O GLU B 88 3.717 17.113 -2.473 1.00 1.06 O ATOM 3657 CB GLU B 88 4.432 16.288 0.584 1.00 1.03 C ATOM 3658 CG GLU B 88 5.730 15.501 0.607 1.00 1.51 C ATOM 3659 CD GLU B 88 6.742 16.100 1.563 1.00 1.72 C ATOM 3660 OE1 GLU B 88 7.453 17.042 1.166 1.00 2.33 O ATOM 3661 OE2 GLU B 88 6.820 15.641 2.723 1.00 1.98 O ATOM 0 H GLU B 88 3.561 13.971 0.496 1.00 0.70 H new ATOM 0 HA GLU B 88 2.508 16.423 -0.354 1.00 0.89 H new ATOM 0 HB2 GLU B 88 4.665 17.338 0.408 1.00 1.03 H new ATOM 0 HB3 GLU B 88 3.969 16.225 1.569 1.00 1.03 H new ATOM 0 HG2 GLU B 88 5.524 14.471 0.897 1.00 1.51 H new ATOM 0 HG3 GLU B 88 6.153 15.471 -0.397 1.00 1.51 H new ATOM 3668 N PHE B 89 4.666 15.086 -2.410 1.00 0.69 N ATOM 3669 CA PHE B 89 5.289 15.218 -3.719 1.00 0.71 C ATOM 3670 C PHE B 89 4.249 15.244 -4.837 1.00 0.73 C ATOM 3671 O PHE B 89 4.136 16.228 -5.569 1.00 0.88 O ATOM 3672 CB PHE B 89 6.276 14.073 -3.950 1.00 0.69 C ATOM 3673 CG PHE B 89 7.407 14.054 -2.962 1.00 0.91 C ATOM 3674 CD1 PHE B 89 8.493 14.899 -3.117 1.00 1.65 C ATOM 3675 CD2 PHE B 89 7.379 13.196 -1.877 1.00 1.53 C ATOM 3676 CE1 PHE B 89 9.533 14.887 -2.208 1.00 1.99 C ATOM 3677 CE2 PHE B 89 8.416 13.178 -0.963 1.00 1.89 C ATOM 3678 CZ PHE B 89 9.495 14.024 -1.129 1.00 1.81 C ATOM 0 H PHE B 89 4.823 14.185 -1.958 1.00 0.69 H new ATOM 0 HA PHE B 89 5.824 16.167 -3.738 1.00 0.71 H new ATOM 0 HB2 PHE B 89 5.741 13.125 -3.897 1.00 0.69 H new ATOM 0 HB3 PHE B 89 6.684 14.152 -4.957 1.00 0.69 H new ATOM 0 HD1 PHE B 89 8.527 15.575 -3.958 1.00 1.65 H new ATOM 0 HD2 PHE B 89 6.537 12.533 -1.743 1.00 1.53 H new ATOM 0 HE1 PHE B 89 10.375 15.551 -2.340 1.00 1.99 H new ATOM 0 HE2 PHE B 89 8.382 12.503 -0.120 1.00 1.89 H new ATOM 0 HZ PHE B 89 10.307 14.011 -0.417 1.00 1.81 H new ATOM 3688 N PHE B 90 3.478 14.172 -4.945 1.00 0.63 N ATOM 3689 CA PHE B 90 2.559 14.005 -6.063 1.00 0.66 C ATOM 3690 C PHE B 90 1.312 14.881 -5.914 1.00 0.69 C ATOM 3691 O PHE B 90 0.825 15.444 -6.895 1.00 0.83 O ATOM 3692 CB PHE B 90 2.177 12.528 -6.206 1.00 0.69 C ATOM 3693 CG PHE B 90 1.201 12.243 -7.316 1.00 0.95 C ATOM 3694 CD1 PHE B 90 -0.161 12.451 -7.141 1.00 1.79 C ATOM 3695 CD2 PHE B 90 1.648 11.752 -8.532 1.00 1.44 C ATOM 3696 CE1 PHE B 90 -1.054 12.177 -8.158 1.00 2.09 C ATOM 3697 CE2 PHE B 90 0.758 11.478 -9.553 1.00 1.68 C ATOM 3698 CZ PHE B 90 -0.593 11.689 -9.366 1.00 1.67 C ATOM 0 H PHE B 90 3.470 13.405 -4.273 1.00 0.63 H new ATOM 0 HA PHE B 90 3.068 14.331 -6.970 1.00 0.66 H new ATOM 0 HB2 PHE B 90 3.083 11.946 -6.377 1.00 0.69 H new ATOM 0 HB3 PHE B 90 1.749 12.183 -5.265 1.00 0.69 H new ATOM 0 HD1 PHE B 90 -0.526 12.832 -6.198 1.00 1.79 H new ATOM 0 HD2 PHE B 90 2.704 11.582 -8.684 1.00 1.44 H new ATOM 0 HE1 PHE B 90 -2.111 12.344 -8.010 1.00 2.09 H new ATOM 0 HE2 PHE B 90 1.120 11.099 -10.497 1.00 1.68 H new ATOM 0 HZ PHE B 90 -1.289 11.473 -10.163 1.00 1.67 H new