USER MOD reduce.3.24.130724 H: found=0, std=0, add=1944, rem=0, adj=77 USER MOD reduce.3.24.130724 removed 1943 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 86 CYS SG : rot 175:sc= -3.84! USER MOD Set 1.2: C1934 MET CE :methyl -126:sc= -0.945 (180deg=-5.07!) USER MOD Set 2.1: B 35 LYS NZ :NH3+ -104:sc= 0.0515 (180deg=-0.0942) USER MOD Set 2.2: B 50 THR OG1 : rot 47:sc= 0.185 USER MOD Set 3.1: A 12 MET CE :methyl 149:sc= -0.127 (180deg=-0.282) USER MOD Set 3.2: A 80 SER OG : rot -129:sc= 0.643 USER MOD Set 3.3: B 12 MET CE :methyl 176:sc= -2.13 (180deg=-2.18) USER MOD Set 3.4: B 80 SER OG : rot -156:sc= -2.26! USER MOD Set 4.1: A 81 CYS SG : rot 43:sc= -4.37! USER MOD Set 4.2: A 84 MET CE :methyl -171:sc= -4.85! (180deg=-5.08!) USER MOD Set 4.3: C1910 MET CE :methyl -172:sc= -3.06! (180deg=-3.13!) USER MOD Set 5.1: A 73 GLN :FLIP amide:sc= 0.328 F(o=-0.44!,f=1.2) USER MOD Set 5.2: C1915 SER OG : rot 96:sc= 0.448 USER MOD Set 5.3: C1918 LYS NZ :NH3+ 162:sc= 0.39 (180deg=0.261) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 CYS SG : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ 165:sc= 1.17 (180deg=0.954) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 88:sc= -0.363! USER MOD Single : A 17 HIS : no HE2:sc= -1.76 X(o=-1.8,f=-2.3) USER MOD Single : A 18 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0534) USER MOD Single : A 19 TYR OH : rot -137:sc= 1.32 USER MOD Single : A 20 SER OG : rot -27:sc= 1.02 USER MOD Single : A 22 LYS NZ :NH3+ -178:sc= 1.21 (180deg=1.08) USER MOD Single : A 26 LYS NZ :NH3+ -163:sc= 1.26 (180deg=1.14) USER MOD Single : A 28 LYS NZ :NH3+ -132:sc= 1.32 (180deg=0.0292) USER MOD Single : A 30 ASN : amide:sc= -0.315 K(o=-0.32,f=-5.5!) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot -151:sc= 1.29 USER MOD Single : A 35 LYS NZ :NH3+ 145:sc= 1.2 (180deg=1.07) USER MOD Single : A 39 THR OG1 : rot 5:sc= -0.698 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 THR OG1 : rot -84:sc= -3.98! USER MOD Single : A 56 GLN :FLIP amide:sc= -0.011 F(o=-1,f=-0.011) USER MOD Single : A 57 LYS NZ :NH3+ -151:sc= 1.27 (180deg=1.25) USER MOD Single : A 59 MET CE :methyl 171:sc= -2.74! (180deg=-2.98!) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 ASN : amide:sc= -3.74! C(o=-3.7!,f=-6.5!) USER MOD Single : A 64 SER OG : rot -51:sc= 1.03 USER MOD Single : A 65 ASN : amide:sc= 0.00865 K(o=0.0086,f=-2.6!) USER MOD Single : A 68 ASN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 75 TYR OH : rot 70:sc= -0.619 USER MOD Single : A 76 CYS SG : rot 63:sc= -3.71! USER MOD Single : A 85 MET CE :methyl -177:sc= -6.83! (180deg=-7.25!) USER MOD Single : A 86 CYS SG : rot -32:sc= -0.391 USER MOD Single : A 87 ASN :FLIP amide:sc= -0.75 F(o=-1.4,f=-0.75) USER MOD Single : A 96 LYS NZ :NH3+ -166:sc= -0.0176 (180deg=-0.19) USER MOD Single : A 97 GLN : amide:sc= 0.418 K(o=0.42,f=-0.1) USER MOD Single : A 100 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0383) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 1 MET CE :methyl -162:sc= -0.201 (180deg=-1.02) USER MOD Single : B 1 MET N :NH3+ -165:sc= -0.012 (180deg=-0.22) USER MOD Single : B 3 CYS SG : rot 180:sc= 0 USER MOD Single : B 7 LYS NZ :NH3+ 157:sc= 1.09 (180deg=1.01) USER MOD Single : B 14 SER OG : rot 180:sc= 0 USER MOD Single : B 15 THR OG1 : rot 83:sc= 0.323 USER MOD Single : B 17 HIS : no HD1:sc= -0.898 X(o=-0.9,f=-0.89) USER MOD Single : B 18 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0575) USER MOD Single : B 19 TYR OH : rot -155:sc= 1.29 USER MOD Single : B 20 SER OG : rot -32:sc= 1.07 USER MOD Single : B 22 LYS NZ :NH3+ 179:sc= 1.18 (180deg=1.17) USER MOD Single : B 26 LYS NZ :NH3+ -159:sc= 1.23 (180deg=1.14) USER MOD Single : B 28 LYS NZ :NH3+ -169:sc= 1.83 (180deg=1.55) USER MOD Single : B 30 ASN : amide:sc= -0.328 K(o=-0.33,f=-5.8!) USER MOD Single : B 31 LYS NZ :NH3+ 180:sc= -0.0829 (180deg=-0.0829) USER MOD Single : B 32 SER OG : rot -148:sc= 1.28 USER MOD Single : B 39 THR OG1 : rot 5:sc= -0.669 USER MOD Single : B 44 SER OG : rot 180:sc= 0 USER MOD Single : B 48 LYS NZ :NH3+ -132:sc= -1.37 (180deg=-3.82!) USER MOD Single : B 56 GLN : amide:sc= -0.0345 K(o=-0.035,f=-0.88) USER MOD Single : B 57 LYS NZ :NH3+ 144:sc= 1.01 (180deg=-0.0731) USER MOD Single : B 59 MET CE :methyl 149:sc= -3.28 (180deg=-3.75) USER MOD Single : B 60 SER OG : rot 11:sc= 1.94 USER MOD Single : B 61 ASN :FLIP amide:sc= -0.69 F(o=-2.8!,f=-0.69) USER MOD Single : B 64 SER OG : rot 103:sc= 1.16 USER MOD Single : B 65 ASN : amide:sc= 1.07 K(o=1.1,f=0) USER MOD Single : B 68 ASN :FLIP amide:sc= -2.89! C(o=-4.2!,f=-2.9!) USER MOD Single : B 73 GLN : amide:sc= 0.0186! K(o=0.019!,f=-0.81) USER MOD Single : B 75 TYR OH : rot 100:sc= -0.37 USER MOD Single : B 76 CYS SG : rot 85:sc= -0.96 USER MOD Single : B 81 CYS SG : rot 70:sc= -12.8! USER MOD Single : B 84 MET CE :methyl 154:sc= -6.77! (180deg=-11.1!) USER MOD Single : B 85 MET CE :methyl -141:sc= -0.115 (180deg=-1.29) USER MOD Single : B 87 ASN :FLIP amide:sc= -0.494 F(o=-4.3!,f=-0.49) USER MOD Single : B 96 LYS NZ :NH3+ 163:sc= 1.09 (180deg=0.818) USER MOD Single : B 97 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 101 LYS NZ :NH3+ -155:sc= 2.42 (180deg=1.01) USER MOD Single : C1897 GLN :FLIP amide:sc= -1.92 F(o=-3.8!,f=-1.9) USER MOD Single : C1904 THR OG1 : rot -1:sc= 1.18 USER MOD Single : C1906 THR OG1 : rot 74:sc= 1.23 USER MOD Single : C1911 ASN : amide:sc= -0.0311 X(o=-0.031,f=-0.018) USER MOD Single : C1916 SER OG : rot 180:sc= 0 USER MOD Single : C1919 ASN : amide:sc=-0.00383 X(o=-0.0038,f=0) USER MOD Single : C1920 LYS NZ :NH3+ 161:sc= 0.242 (180deg=0.119) USER MOD ----------------------------------------------------------------- ATOM 1 N GLN C1897 -19.646 -11.754 2.288 1.00 1.90 N ATOM 2 CA GLN C1897 -19.009 -10.652 1.534 1.00 1.28 C ATOM 3 C GLN C1897 -18.273 -9.737 2.505 1.00 1.03 C ATOM 4 O GLN C1897 -18.333 -9.959 3.714 1.00 1.73 O ATOM 5 CB GLN C1897 -20.083 -9.864 0.764 1.00 1.38 C ATOM 6 CG GLN C1897 -19.522 -8.933 -0.298 1.00 1.18 C ATOM 7 CD GLN C1897 -18.587 -9.658 -1.239 1.00 1.58 C ATOM 8 OE1 GLN C1897 -17.536 -8.988 -1.652 1.00 2.33 O flip ATOM 9 NE2 GLN C1897 -18.787 -10.829 -1.555 1.00 1.78 N flip ATOM 0 HA GLN C1897 -18.294 -11.059 0.819 1.00 1.28 H new ATOM 0 HB2 GLN C1897 -20.767 -10.569 0.291 1.00 1.38 H new ATOM 0 HB3 GLN C1897 -20.669 -9.279 1.473 1.00 1.38 H new ATOM 0 HG2 GLN C1897 -20.342 -8.493 -0.866 1.00 1.18 H new ATOM 0 HG3 GLN C1897 -18.990 -8.111 0.182 1.00 1.18 H new ATOM 0 HE21 GLN C1897 -19.616 -11.315 -1.213 1.00 1.78 H new ATOM 0 HE22 GLN C1897 -18.124 -11.315 -2.159 1.00 1.78 H new ATOM 20 N ARG C1898 -17.546 -8.749 1.964 1.00 0.67 N ATOM 21 CA ARG C1898 -16.899 -7.719 2.748 1.00 0.76 C ATOM 22 C ARG C1898 -15.550 -8.224 3.221 1.00 0.64 C ATOM 23 O ARG C1898 -15.280 -8.387 4.412 1.00 0.95 O ATOM 24 CB ARG C1898 -17.805 -7.245 3.882 1.00 1.15 C ATOM 25 CG ARG C1898 -17.193 -6.207 4.806 1.00 1.54 C ATOM 26 CD ARG C1898 -18.193 -5.755 5.854 1.00 2.04 C ATOM 27 NE ARG C1898 -18.720 -6.877 6.630 1.00 2.71 N ATOM 28 CZ ARG C1898 -19.934 -6.899 7.179 1.00 3.58 C ATOM 29 NH1 ARG C1898 -20.782 -5.895 6.975 1.00 3.84 N ATOM 30 NH2 ARG C1898 -20.309 -7.939 7.906 1.00 4.54 N ATOM 0 H ARG C1898 -17.397 -8.653 0.960 1.00 0.67 H new ATOM 0 HA ARG C1898 -16.718 -6.838 2.133 1.00 0.76 H new ATOM 0 HB2 ARG C1898 -18.716 -6.831 3.449 1.00 1.15 H new ATOM 0 HB3 ARG C1898 -18.099 -8.110 4.477 1.00 1.15 H new ATOM 0 HG2 ARG C1898 -16.312 -6.624 5.294 1.00 1.54 H new ATOM 0 HG3 ARG C1898 -16.858 -5.349 4.224 1.00 1.54 H new ATOM 0 HD2 ARG C1898 -17.716 -5.042 6.526 1.00 2.04 H new ATOM 0 HD3 ARG C1898 -19.017 -5.232 5.367 1.00 2.04 H new ATOM 0 HE ARG C1898 -18.122 -7.693 6.759 1.00 2.71 H new ATOM 0 HH11 ARG C1898 -20.504 -5.103 6.396 1.00 3.84 H new ATOM 0 HH12 ARG C1898 -21.710 -5.917 7.398 1.00 3.84 H new ATOM 0 HH21 ARG C1898 -19.669 -8.721 8.045 1.00 4.54 H new ATOM 0 HH22 ARG C1898 -21.238 -7.958 8.327 1.00 4.54 H new ATOM 44 N GLU C1899 -14.718 -8.488 2.229 1.00 0.40 N ATOM 45 CA GLU C1899 -13.334 -8.870 2.414 1.00 0.29 C ATOM 46 C GLU C1899 -12.618 -7.818 3.219 1.00 0.24 C ATOM 47 O GLU C1899 -11.688 -8.107 3.960 1.00 0.27 O ATOM 48 CB GLU C1899 -12.668 -8.965 1.052 1.00 0.30 C ATOM 49 CG GLU C1899 -13.122 -7.849 0.121 1.00 0.35 C ATOM 50 CD GLU C1899 -14.288 -8.271 -0.744 1.00 0.62 C ATOM 51 OE1 GLU C1899 -14.067 -8.848 -1.822 1.00 0.76 O ATOM 52 OE2 GLU C1899 -15.443 -8.063 -0.310 1.00 0.97 O ATOM 0 H GLU C1899 -14.996 -8.441 1.249 1.00 0.40 H new ATOM 0 HA GLU C1899 -13.289 -9.827 2.935 1.00 0.29 H new ATOM 0 HB2 GLU C1899 -11.586 -8.920 1.173 1.00 0.30 H new ATOM 0 HB3 GLU C1899 -12.898 -9.930 0.601 1.00 0.30 H new ATOM 0 HG2 GLU C1899 -13.405 -6.978 0.711 1.00 0.35 H new ATOM 0 HG3 GLU C1899 -12.290 -7.547 -0.515 1.00 0.35 H new ATOM 59 N LEU C1900 -13.079 -6.589 3.058 1.00 0.24 N ATOM 60 CA LEU C1900 -12.461 -5.447 3.682 1.00 0.25 C ATOM 61 C LEU C1900 -12.480 -5.595 5.203 1.00 0.28 C ATOM 62 O LEU C1900 -11.581 -5.121 5.891 1.00 0.44 O ATOM 63 CB LEU C1900 -13.174 -4.157 3.262 1.00 0.33 C ATOM 64 CG LEU C1900 -12.939 -3.653 1.832 1.00 0.20 C ATOM 65 CD1 LEU C1900 -11.465 -3.644 1.483 1.00 0.22 C ATOM 66 CD2 LEU C1900 -13.736 -4.429 0.814 1.00 0.31 C ATOM 0 H LEU C1900 -13.894 -6.362 2.489 1.00 0.24 H new ATOM 0 HA LEU C1900 -11.423 -5.392 3.352 1.00 0.25 H new ATOM 0 HB2 LEU C1900 -14.246 -4.306 3.395 1.00 0.33 H new ATOM 0 HB3 LEU C1900 -12.874 -3.367 3.951 1.00 0.33 H new ATOM 0 HG LEU C1900 -13.297 -2.624 1.799 1.00 0.20 H new ATOM 0 HD11 LEU C1900 -11.335 -3.282 0.463 1.00 0.22 H new ATOM 0 HD12 LEU C1900 -10.932 -2.989 2.172 1.00 0.22 H new ATOM 0 HD13 LEU C1900 -11.066 -4.655 1.562 1.00 0.22 H new ATOM 0 HD21 LEU C1900 -13.536 -4.035 -0.182 1.00 0.31 H new ATOM 0 HD22 LEU C1900 -13.450 -5.480 0.853 1.00 0.31 H new ATOM 0 HD23 LEU C1900 -14.799 -4.334 1.035 1.00 0.31 H new ATOM 78 N GLU C1901 -13.487 -6.287 5.721 1.00 0.27 N ATOM 79 CA GLU C1901 -13.600 -6.500 7.156 1.00 0.34 C ATOM 80 C GLU C1901 -12.443 -7.361 7.659 1.00 0.37 C ATOM 81 O GLU C1901 -11.982 -7.200 8.782 1.00 0.52 O ATOM 82 CB GLU C1901 -14.935 -7.162 7.496 1.00 0.48 C ATOM 83 CG GLU C1901 -15.177 -7.300 8.988 1.00 1.00 C ATOM 84 CD GLU C1901 -16.420 -8.097 9.308 1.00 1.11 C ATOM 85 OE1 GLU C1901 -16.366 -9.342 9.212 1.00 1.48 O ATOM 86 OE2 GLU C1901 -17.449 -7.490 9.661 1.00 1.44 O ATOM 0 H GLU C1901 -14.234 -6.709 5.170 1.00 0.27 H new ATOM 0 HA GLU C1901 -13.556 -5.530 7.651 1.00 0.34 H new ATOM 0 HB2 GLU C1901 -15.744 -6.578 7.057 1.00 0.48 H new ATOM 0 HB3 GLU C1901 -14.969 -8.150 7.037 1.00 0.48 H new ATOM 0 HG2 GLU C1901 -14.314 -7.781 9.449 1.00 1.00 H new ATOM 0 HG3 GLU C1901 -15.263 -6.308 9.431 1.00 1.00 H new ATOM 93 N ASP C1902 -11.985 -8.275 6.817 1.00 0.37 N ATOM 94 CA ASP C1902 -10.856 -9.137 7.156 1.00 0.46 C ATOM 95 C ASP C1902 -9.547 -8.495 6.705 1.00 0.44 C ATOM 96 O ASP C1902 -8.567 -8.456 7.447 1.00 0.58 O ATOM 97 CB ASP C1902 -11.021 -10.508 6.487 1.00 0.60 C ATOM 98 CG ASP C1902 -9.943 -11.497 6.886 1.00 1.18 C ATOM 99 OD1 ASP C1902 -10.093 -12.171 7.930 1.00 1.42 O ATOM 100 OD2 ASP C1902 -8.927 -11.590 6.167 1.00 2.01 O ATOM 0 H ASP C1902 -12.377 -8.441 5.890 1.00 0.37 H new ATOM 0 HA ASP C1902 -10.830 -9.269 8.238 1.00 0.46 H new ATOM 0 HB2 ASP C1902 -11.997 -10.918 6.748 1.00 0.60 H new ATOM 0 HB3 ASP C1902 -11.007 -10.382 5.404 1.00 0.60 H new ATOM 105 N ALA C1903 -9.563 -7.965 5.490 1.00 0.36 N ATOM 106 CA ALA C1903 -8.373 -7.410 4.863 1.00 0.46 C ATOM 107 C ALA C1903 -7.930 -6.107 5.524 1.00 0.37 C ATOM 108 O ALA C1903 -6.805 -6.001 6.010 1.00 0.37 O ATOM 109 CB ALA C1903 -8.627 -7.184 3.381 1.00 0.66 C ATOM 0 H ALA C1903 -10.401 -7.908 4.912 1.00 0.36 H new ATOM 0 HA ALA C1903 -7.566 -8.131 4.992 1.00 0.46 H new ATOM 0 HB1 ALA C1903 -7.732 -6.768 2.918 1.00 0.66 H new ATOM 0 HB2 ALA C1903 -8.874 -8.133 2.905 1.00 0.66 H new ATOM 0 HB3 ALA C1903 -9.457 -6.488 3.256 1.00 0.66 H new ATOM 115 N THR C1904 -8.811 -5.113 5.552 1.00 0.37 N ATOM 116 CA THR C1904 -8.438 -3.797 6.053 1.00 0.36 C ATOM 117 C THR C1904 -8.647 -3.691 7.561 1.00 0.34 C ATOM 118 O THR C1904 -8.496 -2.624 8.141 1.00 0.36 O ATOM 119 CB THR C1904 -9.187 -2.659 5.330 1.00 0.40 C ATOM 120 OG1 THR C1904 -10.604 -2.824 5.443 1.00 0.42 O ATOM 121 CG2 THR C1904 -8.798 -2.614 3.861 1.00 0.40 C ATOM 0 H THR C1904 -9.778 -5.192 5.237 1.00 0.37 H new ATOM 0 HA THR C1904 -7.375 -3.681 5.841 1.00 0.36 H new ATOM 0 HB THR C1904 -8.904 -1.721 5.807 1.00 0.40 H new ATOM 0 HG1 THR C1904 -10.799 -3.643 5.944 1.00 0.42 H new ATOM 0 HG21 THR C1904 -9.336 -1.805 3.367 1.00 0.40 H new ATOM 0 HG22 THR C1904 -7.725 -2.443 3.774 1.00 0.40 H new ATOM 0 HG23 THR C1904 -9.054 -3.562 3.388 1.00 0.40 H new ATOM 129 N GLU C1905 -8.985 -4.805 8.193 1.00 0.32 N ATOM 130 CA GLU C1905 -8.990 -4.877 9.649 1.00 0.32 C ATOM 131 C GLU C1905 -7.584 -4.598 10.132 1.00 0.28 C ATOM 132 O GLU C1905 -7.348 -3.841 11.074 1.00 0.32 O ATOM 133 CB GLU C1905 -9.393 -6.273 10.091 1.00 0.36 C ATOM 134 CG GLU C1905 -9.720 -6.405 11.572 1.00 0.62 C ATOM 135 CD GLU C1905 -10.914 -5.574 12.004 1.00 1.25 C ATOM 136 OE1 GLU C1905 -11.988 -5.709 11.383 1.00 1.76 O ATOM 137 OE2 GLU C1905 -10.782 -4.772 12.957 1.00 2.06 O ATOM 0 H GLU C1905 -9.258 -5.669 7.724 1.00 0.32 H new ATOM 0 HA GLU C1905 -9.695 -4.154 10.059 1.00 0.32 H new ATOM 0 HB2 GLU C1905 -10.262 -6.585 9.512 1.00 0.36 H new ATOM 0 HB3 GLU C1905 -8.585 -6.963 9.849 1.00 0.36 H new ATOM 0 HG2 GLU C1905 -9.914 -7.453 11.801 1.00 0.62 H new ATOM 0 HG3 GLU C1905 -8.849 -6.107 12.156 1.00 0.62 H new ATOM 144 N THR C1906 -6.654 -5.215 9.426 1.00 0.25 N ATOM 145 CA THR C1906 -5.244 -5.072 9.685 1.00 0.24 C ATOM 146 C THR C1906 -4.732 -3.699 9.257 1.00 0.21 C ATOM 147 O THR C1906 -3.569 -3.367 9.491 1.00 0.19 O ATOM 148 CB THR C1906 -4.473 -6.175 8.942 1.00 0.29 C ATOM 149 OG1 THR C1906 -5.386 -6.941 8.137 1.00 0.48 O ATOM 150 CG2 THR C1906 -3.773 -7.098 9.927 1.00 0.47 C ATOM 0 H THR C1906 -6.866 -5.837 8.646 1.00 0.25 H new ATOM 0 HA THR C1906 -5.083 -5.166 10.759 1.00 0.24 H new ATOM 0 HB THR C1906 -3.722 -5.706 8.307 1.00 0.29 H new ATOM 0 HG1 THR C1906 -5.655 -6.414 7.356 1.00 0.48 H new ATOM 0 HG21 THR C1906 -3.233 -7.871 9.380 1.00 0.47 H new ATOM 0 HG22 THR C1906 -3.070 -6.522 10.529 1.00 0.47 H new ATOM 0 HG23 THR C1906 -4.513 -7.563 10.578 1.00 0.47 H new ATOM 158 N ALA C1907 -5.601 -2.893 8.639 1.00 0.23 N ATOM 159 CA ALA C1907 -5.205 -1.564 8.198 1.00 0.21 C ATOM 160 C ALA C1907 -4.945 -0.666 9.391 1.00 0.21 C ATOM 161 O ALA C1907 -3.977 0.087 9.404 1.00 0.21 O ATOM 162 CB ALA C1907 -6.242 -0.932 7.276 1.00 0.22 C ATOM 0 H ALA C1907 -6.570 -3.139 8.437 1.00 0.23 H new ATOM 0 HA ALA C1907 -4.284 -1.674 7.625 1.00 0.21 H new ATOM 0 HB1 ALA C1907 -5.903 0.059 6.973 1.00 0.22 H new ATOM 0 HB2 ALA C1907 -6.373 -1.557 6.393 1.00 0.22 H new ATOM 0 HB3 ALA C1907 -7.192 -0.845 7.803 1.00 0.22 H new ATOM 168 N ASP C1908 -5.812 -0.753 10.393 1.00 0.24 N ATOM 169 CA ASP C1908 -5.619 -0.013 11.637 1.00 0.26 C ATOM 170 C ASP C1908 -4.273 -0.365 12.271 1.00 0.27 C ATOM 171 O ASP C1908 -3.615 0.489 12.867 1.00 0.34 O ATOM 172 CB ASP C1908 -6.766 -0.302 12.612 1.00 0.33 C ATOM 173 CG ASP C1908 -6.558 0.327 13.979 1.00 0.44 C ATOM 174 OD1 ASP C1908 -6.622 1.570 14.095 1.00 0.58 O ATOM 175 OD2 ASP C1908 -6.337 -0.426 14.951 1.00 0.68 O ATOM 0 H ASP C1908 -6.655 -1.327 10.370 1.00 0.24 H new ATOM 0 HA ASP C1908 -5.619 1.053 11.408 1.00 0.26 H new ATOM 0 HB2 ASP C1908 -7.699 0.068 12.186 1.00 0.33 H new ATOM 0 HB3 ASP C1908 -6.874 -1.380 12.727 1.00 0.33 H new ATOM 180 N ALA C1909 -3.852 -1.619 12.115 1.00 0.23 N ATOM 181 CA ALA C1909 -2.546 -2.049 12.605 1.00 0.24 C ATOM 182 C ALA C1909 -1.423 -1.496 11.727 1.00 0.22 C ATOM 183 O ALA C1909 -0.556 -0.764 12.209 1.00 0.24 O ATOM 184 CB ALA C1909 -2.470 -3.564 12.678 1.00 0.27 C ATOM 0 H ALA C1909 -4.394 -2.351 11.655 1.00 0.23 H new ATOM 0 HA ALA C1909 -2.417 -1.650 13.611 1.00 0.24 H new ATOM 0 HB1 ALA C1909 -1.488 -3.862 13.046 1.00 0.27 H new ATOM 0 HB2 ALA C1909 -3.239 -3.935 13.356 1.00 0.27 H new ATOM 0 HB3 ALA C1909 -2.628 -3.985 11.685 1.00 0.27 H new ATOM 190 N MET C1910 -1.438 -1.860 10.439 1.00 0.19 N ATOM 191 CA MET C1910 -0.503 -1.310 9.456 1.00 0.19 C ATOM 192 C MET C1910 -0.401 0.212 9.518 1.00 0.19 C ATOM 193 O MET C1910 0.631 0.763 9.203 1.00 0.22 O ATOM 194 CB MET C1910 -0.895 -1.744 8.036 1.00 0.18 C ATOM 195 CG MET C1910 -0.232 -0.922 6.929 1.00 0.20 C ATOM 196 SD MET C1910 -0.723 -1.460 5.287 1.00 0.20 S ATOM 197 CE MET C1910 -0.134 -3.148 5.307 1.00 0.14 C ATOM 0 H MET C1910 -2.094 -2.539 10.053 1.00 0.19 H new ATOM 0 HA MET C1910 0.478 -1.712 9.708 1.00 0.19 H new ATOM 0 HB2 MET C1910 -0.632 -2.793 7.902 1.00 0.18 H new ATOM 0 HB3 MET C1910 -1.977 -1.671 7.930 1.00 0.18 H new ATOM 0 HG2 MET C1910 -0.491 0.129 7.056 1.00 0.20 H new ATOM 0 HG3 MET C1910 0.851 -0.997 7.024 1.00 0.20 H new ATOM 0 HE1 MET C1910 -0.233 -3.580 4.311 1.00 0.14 H new ATOM 0 HE2 MET C1910 0.914 -3.164 5.607 1.00 0.14 H new ATOM 0 HE3 MET C1910 -0.723 -3.731 6.015 1.00 0.14 H new ATOM 207 N ASN C1911 -1.456 0.895 9.922 1.00 0.21 N ATOM 208 CA ASN C1911 -1.428 2.356 9.970 1.00 0.22 C ATOM 209 C ASN C1911 -0.467 2.858 11.039 1.00 0.23 C ATOM 210 O ASN C1911 0.222 3.862 10.855 1.00 0.27 O ATOM 211 CB ASN C1911 -2.819 2.911 10.236 1.00 0.24 C ATOM 212 CG ASN C1911 -2.869 4.410 10.072 1.00 0.25 C ATOM 213 OD1 ASN C1911 -2.647 5.163 11.016 1.00 0.42 O ATOM 214 ND2 ASN C1911 -3.158 4.848 8.862 1.00 0.25 N ATOM 0 H ASN C1911 -2.336 0.474 10.220 1.00 0.21 H new ATOM 0 HA ASN C1911 -1.080 2.707 8.998 1.00 0.22 H new ATOM 0 HB2 ASN C1911 -3.531 2.447 9.553 1.00 0.24 H new ATOM 0 HB3 ASN C1911 -3.128 2.646 11.247 1.00 0.24 H new ATOM 0 HD21 ASN C1911 -3.204 5.851 8.680 1.00 0.25 H new ATOM 0 HD22 ASN C1911 -3.335 4.184 8.108 1.00 0.25 H new ATOM 221 N ARG C1912 -0.398 2.144 12.143 1.00 0.23 N ATOM 222 CA ARG C1912 0.458 2.550 13.242 1.00 0.26 C ATOM 223 C ARG C1912 1.907 2.355 12.847 1.00 0.28 C ATOM 224 O ARG C1912 2.766 3.191 13.130 1.00 0.38 O ATOM 225 CB ARG C1912 0.129 1.743 14.494 1.00 0.30 C ATOM 226 CG ARG C1912 -1.364 1.684 14.774 1.00 0.75 C ATOM 227 CD ARG C1912 -1.999 3.064 14.679 1.00 1.46 C ATOM 228 NE ARG C1912 -3.458 2.998 14.660 1.00 2.17 N ATOM 229 CZ ARG C1912 -4.253 4.017 14.983 1.00 2.91 C ATOM 230 NH1 ARG C1912 -3.734 5.175 15.382 1.00 3.13 N ATOM 231 NH2 ARG C1912 -5.569 3.878 14.901 1.00 3.76 N ATOM 0 H ARG C1912 -0.921 1.283 12.305 1.00 0.23 H new ATOM 0 HA ARG C1912 0.288 3.604 13.464 1.00 0.26 H new ATOM 0 HB2 ARG C1912 0.514 0.730 14.381 1.00 0.30 H new ATOM 0 HB3 ARG C1912 0.639 2.184 15.351 1.00 0.30 H new ATOM 0 HG2 ARG C1912 -1.843 1.011 14.063 1.00 0.75 H new ATOM 0 HG3 ARG C1912 -1.534 1.271 15.768 1.00 0.75 H new ATOM 0 HD2 ARG C1912 -1.675 3.670 15.525 1.00 1.46 H new ATOM 0 HD3 ARG C1912 -1.647 3.563 13.776 1.00 1.46 H new ATOM 0 HE ARG C1912 -3.894 2.119 14.383 1.00 2.17 H new ATOM 0 HH11 ARG C1912 -2.722 5.287 15.442 1.00 3.13 H new ATOM 0 HH12 ARG C1912 -4.348 5.951 15.628 1.00 3.13 H new ATOM 0 HH21 ARG C1912 -5.970 2.993 14.591 1.00 3.76 H new ATOM 0 HH22 ARG C1912 -6.180 4.656 15.148 1.00 3.76 H new ATOM 245 N GLU C1913 2.164 1.261 12.153 1.00 0.23 N ATOM 246 CA GLU C1913 3.491 0.986 11.650 1.00 0.25 C ATOM 247 C GLU C1913 3.763 1.802 10.393 1.00 0.22 C ATOM 248 O GLU C1913 4.888 2.155 10.138 1.00 0.27 O ATOM 249 CB GLU C1913 3.669 -0.507 11.363 1.00 0.29 C ATOM 250 CG GLU C1913 2.728 -1.037 10.300 1.00 0.29 C ATOM 251 CD GLU C1913 2.858 -2.530 10.084 1.00 0.39 C ATOM 252 OE1 GLU C1913 3.407 -3.219 10.966 1.00 0.79 O ATOM 253 OE2 GLU C1913 2.434 -3.020 9.014 1.00 0.57 O ATOM 0 H GLU C1913 1.468 0.550 11.927 1.00 0.23 H new ATOM 0 HA GLU C1913 4.210 1.274 12.417 1.00 0.25 H new ATOM 0 HB2 GLU C1913 4.697 -0.688 11.049 1.00 0.29 H new ATOM 0 HB3 GLU C1913 3.514 -1.067 12.285 1.00 0.29 H new ATOM 0 HG2 GLU C1913 1.701 -0.805 10.583 1.00 0.29 H new ATOM 0 HG3 GLU C1913 2.924 -0.521 9.360 1.00 0.29 H new ATOM 260 N VAL C1914 2.722 2.121 9.628 1.00 0.19 N ATOM 261 CA VAL C1914 2.882 2.846 8.367 1.00 0.20 C ATOM 262 C VAL C1914 3.375 4.253 8.630 1.00 0.18 C ATOM 263 O VAL C1914 4.242 4.762 7.925 1.00 0.20 O ATOM 264 CB VAL C1914 1.558 2.900 7.541 1.00 0.24 C ATOM 265 CG1 VAL C1914 0.703 4.105 7.888 1.00 0.26 C ATOM 266 CG2 VAL C1914 1.835 2.890 6.054 1.00 0.29 C ATOM 0 H VAL C1914 1.756 1.889 9.859 1.00 0.19 H new ATOM 0 HA VAL C1914 3.618 2.300 7.777 1.00 0.20 H new ATOM 0 HB VAL C1914 1.001 2.003 7.810 1.00 0.24 H new ATOM 0 HG11 VAL C1914 -0.205 4.093 7.285 1.00 0.26 H new ATOM 0 HG12 VAL C1914 0.437 4.070 8.944 1.00 0.26 H new ATOM 0 HG13 VAL C1914 1.262 5.018 7.684 1.00 0.26 H new ATOM 0 HG21 VAL C1914 0.892 2.928 5.508 1.00 0.29 H new ATOM 0 HG22 VAL C1914 2.442 3.756 5.791 1.00 0.29 H new ATOM 0 HG23 VAL C1914 2.370 1.978 5.790 1.00 0.29 H new ATOM 276 N SER C1915 2.842 4.867 9.667 1.00 0.21 N ATOM 277 CA SER C1915 3.175 6.231 9.970 1.00 0.28 C ATOM 278 C SER C1915 4.580 6.286 10.560 1.00 0.28 C ATOM 279 O SER C1915 5.300 7.273 10.399 1.00 0.36 O ATOM 280 CB SER C1915 2.139 6.814 10.919 1.00 0.36 C ATOM 281 OG SER C1915 2.160 8.232 10.893 1.00 1.31 O ATOM 0 H SER C1915 2.177 4.437 10.310 1.00 0.21 H new ATOM 0 HA SER C1915 3.165 6.833 9.062 1.00 0.28 H new ATOM 0 HB2 SER C1915 1.147 6.457 10.642 1.00 0.36 H new ATOM 0 HB3 SER C1915 2.332 6.463 11.933 1.00 0.36 H new ATOM 0 HG SER C1915 1.474 8.558 10.274 1.00 1.31 H new ATOM 287 N SER C1916 4.965 5.196 11.221 1.00 0.25 N ATOM 288 CA SER C1916 6.306 5.059 11.768 1.00 0.27 C ATOM 289 C SER C1916 7.290 4.596 10.683 1.00 0.27 C ATOM 290 O SER C1916 8.407 5.098 10.588 1.00 0.29 O ATOM 291 CB SER C1916 6.286 4.064 12.935 1.00 0.31 C ATOM 292 OG SER C1916 7.549 3.984 13.571 1.00 1.04 O ATOM 0 H SER C1916 4.360 4.392 11.389 1.00 0.25 H new ATOM 0 HA SER C1916 6.640 6.030 12.133 1.00 0.27 H new ATOM 0 HB2 SER C1916 5.531 4.367 13.660 1.00 0.31 H new ATOM 0 HB3 SER C1916 5.999 3.078 12.569 1.00 0.31 H new ATOM 0 HG SER C1916 7.503 3.343 14.311 1.00 1.04 H new ATOM 298 N LEU C1917 6.856 3.651 9.856 1.00 0.30 N ATOM 299 CA LEU C1917 7.696 3.077 8.820 1.00 0.30 C ATOM 300 C LEU C1917 7.964 4.089 7.725 1.00 0.26 C ATOM 301 O LEU C1917 9.116 4.303 7.353 1.00 0.26 O ATOM 302 CB LEU C1917 7.069 1.799 8.240 1.00 0.42 C ATOM 303 CG LEU C1917 7.981 0.965 7.327 1.00 0.57 C ATOM 304 CD1 LEU C1917 7.388 -0.402 7.083 1.00 1.25 C ATOM 305 CD2 LEU C1917 8.196 1.646 5.999 1.00 1.16 C ATOM 0 H LEU C1917 5.913 3.264 9.888 1.00 0.30 H new ATOM 0 HA LEU C1917 8.648 2.804 9.275 1.00 0.30 H new ATOM 0 HB2 LEU C1917 6.740 1.170 9.067 1.00 0.42 H new ATOM 0 HB3 LEU C1917 6.178 2.077 7.677 1.00 0.42 H new ATOM 0 HG LEU C1917 8.939 0.864 7.836 1.00 0.57 H new ATOM 0 HD11 LEU C1917 8.050 -0.975 6.434 1.00 1.25 H new ATOM 0 HD12 LEU C1917 7.271 -0.923 8.033 1.00 1.25 H new ATOM 0 HD13 LEU C1917 6.414 -0.296 6.605 1.00 1.25 H new ATOM 0 HD21 LEU C1917 8.845 1.031 5.376 1.00 1.16 H new ATOM 0 HD22 LEU C1917 7.236 1.782 5.500 1.00 1.16 H new ATOM 0 HD23 LEU C1917 8.662 2.618 6.160 1.00 1.16 H new ATOM 317 N LYS C1918 6.919 4.709 7.196 1.00 0.28 N ATOM 318 CA LYS C1918 7.112 5.735 6.183 1.00 0.29 C ATOM 319 C LYS C1918 8.038 6.828 6.733 1.00 0.32 C ATOM 320 O LYS C1918 8.723 7.509 5.984 1.00 0.38 O ATOM 321 CB LYS C1918 5.764 6.295 5.684 1.00 0.39 C ATOM 322 CG LYS C1918 5.583 7.783 5.863 1.00 0.29 C ATOM 323 CD LYS C1918 5.081 8.105 7.261 1.00 0.40 C ATOM 324 CE LYS C1918 5.477 9.505 7.666 1.00 0.69 C ATOM 325 NZ LYS C1918 4.844 9.920 8.945 1.00 1.36 N ATOM 0 H LYS C1918 5.947 4.525 7.445 1.00 0.28 H new ATOM 0 HA LYS C1918 7.593 5.293 5.310 1.00 0.29 H new ATOM 0 HB2 LYS C1918 5.659 6.057 4.626 1.00 0.39 H new ATOM 0 HB3 LYS C1918 4.958 5.781 6.208 1.00 0.39 H new ATOM 0 HG2 LYS C1918 6.530 8.292 5.686 1.00 0.29 H new ATOM 0 HG3 LYS C1918 4.876 8.159 5.123 1.00 0.29 H new ATOM 0 HD2 LYS C1918 3.996 8.006 7.294 1.00 0.40 H new ATOM 0 HD3 LYS C1918 5.489 7.387 7.973 1.00 0.40 H new ATOM 0 HE2 LYS C1918 6.561 9.560 7.765 1.00 0.69 H new ATOM 0 HE3 LYS C1918 5.193 10.203 6.879 1.00 0.69 H new ATOM 0 HZ1 LYS C1918 5.359 10.733 9.339 1.00 1.36 H new ATOM 0 HZ2 LYS C1918 3.854 10.188 8.772 1.00 1.36 H new ATOM 0 HZ3 LYS C1918 4.875 9.130 9.620 1.00 1.36 H new ATOM 339 N ASN C1919 8.080 6.934 8.063 1.00 0.31 N ATOM 340 CA ASN C1919 8.943 7.882 8.754 1.00 0.33 C ATOM 341 C ASN C1919 10.376 7.348 8.893 1.00 0.32 C ATOM 342 O ASN C1919 11.321 8.131 8.934 1.00 0.41 O ATOM 343 CB ASN C1919 8.357 8.221 10.129 1.00 0.37 C ATOM 344 CG ASN C1919 9.256 9.129 10.948 1.00 0.43 C ATOM 345 OD1 ASN C1919 9.234 10.351 10.791 1.00 1.05 O ATOM 346 ND2 ASN C1919 10.024 8.543 11.852 1.00 1.15 N ATOM 0 H ASN C1919 7.513 6.361 8.689 1.00 0.31 H new ATOM 0 HA ASN C1919 8.992 8.791 8.154 1.00 0.33 H new ATOM 0 HB2 ASN C1919 7.388 8.702 9.996 1.00 0.37 H new ATOM 0 HB3 ASN C1919 8.182 7.298 10.681 1.00 0.37 H new ATOM 0 HD21 ASN C1919 10.627 9.106 12.451 1.00 1.15 H new ATOM 0 HD22 ASN C1919 10.013 7.528 11.950 1.00 1.15 H new ATOM 353 N LYS C1920 10.558 6.023 8.951 1.00 0.28 N ATOM 354 CA LYS C1920 11.908 5.473 8.974 1.00 0.37 C ATOM 355 C LYS C1920 12.472 5.481 7.569 1.00 0.41 C ATOM 356 O LYS C1920 13.678 5.603 7.368 1.00 0.53 O ATOM 357 CB LYS C1920 12.012 4.063 9.613 1.00 0.48 C ATOM 358 CG LYS C1920 10.789 3.151 9.507 1.00 0.33 C ATOM 359 CD LYS C1920 11.064 1.807 10.171 1.00 0.44 C ATOM 360 CE LYS C1920 9.795 0.986 10.335 1.00 1.36 C ATOM 361 NZ LYS C1920 10.075 -0.413 10.755 1.00 1.64 N ATOM 0 H LYS C1920 9.807 5.333 8.982 1.00 0.28 H new ATOM 0 HA LYS C1920 12.502 6.116 9.624 1.00 0.37 H new ATOM 0 HB2 LYS C1920 12.857 3.548 9.157 1.00 0.48 H new ATOM 0 HB3 LYS C1920 12.248 4.189 10.670 1.00 0.48 H new ATOM 0 HG2 LYS C1920 9.931 3.628 9.980 1.00 0.33 H new ATOM 0 HG3 LYS C1920 10.531 2.999 8.459 1.00 0.33 H new ATOM 0 HD2 LYS C1920 11.784 1.247 9.574 1.00 0.44 H new ATOM 0 HD3 LYS C1920 11.519 1.971 11.148 1.00 0.44 H new ATOM 0 HE2 LYS C1920 9.150 1.462 11.074 1.00 1.36 H new ATOM 0 HE3 LYS C1920 9.247 0.977 9.393 1.00 1.36 H new ATOM 0 HZ1 LYS C1920 9.214 -0.833 11.159 1.00 1.64 H new ATOM 0 HZ2 LYS C1920 10.377 -0.969 9.930 1.00 1.64 H new ATOM 0 HZ3 LYS C1920 10.830 -0.416 11.470 1.00 1.64 H new ATOM 375 N LEU C1921 11.586 5.388 6.588 1.00 0.38 N ATOM 376 CA LEU C1921 11.982 5.552 5.203 1.00 0.46 C ATOM 377 C LEU C1921 12.282 7.025 4.945 1.00 0.59 C ATOM 378 O LEU C1921 13.131 7.376 4.131 1.00 0.92 O ATOM 379 CB LEU C1921 10.888 5.046 4.255 1.00 0.44 C ATOM 380 CG LEU C1921 10.362 3.636 4.553 1.00 0.38 C ATOM 381 CD1 LEU C1921 9.530 3.110 3.396 1.00 0.40 C ATOM 382 CD2 LEU C1921 11.497 2.673 4.856 1.00 0.48 C ATOM 0 H LEU C1921 10.593 5.201 6.728 1.00 0.38 H new ATOM 0 HA LEU C1921 12.877 4.960 5.013 1.00 0.46 H new ATOM 0 HB2 LEU C1921 10.051 5.743 4.289 1.00 0.44 H new ATOM 0 HB3 LEU C1921 11.276 5.063 3.237 1.00 0.44 H new ATOM 0 HG LEU C1921 9.728 3.707 5.437 1.00 0.38 H new ATOM 0 HD11 LEU C1921 9.169 2.109 3.633 1.00 0.40 H new ATOM 0 HD12 LEU C1921 8.680 3.772 3.228 1.00 0.40 H new ATOM 0 HD13 LEU C1921 10.143 3.071 2.495 1.00 0.40 H new ATOM 0 HD21 LEU C1921 11.089 1.683 5.063 1.00 0.48 H new ATOM 0 HD22 LEU C1921 12.166 2.618 3.997 1.00 0.48 H new ATOM 0 HD23 LEU C1921 12.051 3.026 5.726 1.00 0.48 H new ATOM 394 N ARG C1922 11.588 7.878 5.685 1.00 0.49 N ATOM 395 CA ARG C1922 11.794 9.318 5.627 1.00 0.66 C ATOM 396 C ARG C1922 12.951 9.760 6.519 1.00 0.65 C ATOM 397 O ARG C1922 13.229 10.955 6.623 1.00 0.78 O ATOM 398 CB ARG C1922 10.513 10.048 6.044 1.00 0.87 C ATOM 399 CG ARG C1922 9.473 10.158 4.941 1.00 1.15 C ATOM 400 CD ARG C1922 10.011 10.883 3.715 1.00 1.07 C ATOM 401 NE ARG C1922 10.539 12.209 4.042 1.00 1.64 N ATOM 402 CZ ARG C1922 9.836 13.337 3.936 1.00 2.45 C ATOM 403 NH1 ARG C1922 8.562 13.302 3.574 1.00 2.92 N ATOM 404 NH2 ARG C1922 10.410 14.499 4.216 1.00 3.23 N ATOM 0 H ARG C1922 10.865 7.590 6.344 1.00 0.49 H new ATOM 0 HA ARG C1922 12.046 9.574 4.598 1.00 0.66 H new ATOM 0 HB2 ARG C1922 10.072 9.528 6.894 1.00 0.87 H new ATOM 0 HB3 ARG C1922 10.773 11.050 6.384 1.00 0.87 H new ATOM 0 HG2 ARG C1922 9.142 9.160 4.655 1.00 1.15 H new ATOM 0 HG3 ARG C1922 8.599 10.687 5.320 1.00 1.15 H new ATOM 0 HD2 ARG C1922 10.798 10.284 3.257 1.00 1.07 H new ATOM 0 HD3 ARG C1922 9.216 10.983 2.976 1.00 1.07 H new ATOM 0 HE ARG C1922 11.502 12.274 4.371 1.00 1.64 H new ATOM 0 HH11 ARG C1922 8.113 12.408 3.374 1.00 2.92 H new ATOM 0 HH12 ARG C1922 8.030 14.169 3.495 1.00 2.92 H new ATOM 0 HH21 ARG C1922 11.386 14.528 4.511 1.00 3.23 H new ATOM 0 HH22 ARG C1922 9.876 15.364 4.136 1.00 3.23 H new ATOM 418 N ARG C1923 13.616 8.802 7.169 1.00 0.58 N ATOM 419 CA ARG C1923 14.734 9.109 8.063 1.00 0.73 C ATOM 420 C ARG C1923 15.795 9.907 7.311 1.00 1.24 C ATOM 421 O ARG C1923 16.290 10.917 7.803 1.00 2.11 O ATOM 422 CB ARG C1923 15.337 7.818 8.637 1.00 0.81 C ATOM 423 CG ARG C1923 15.970 7.981 10.016 1.00 1.13 C ATOM 424 CD ARG C1923 17.246 8.805 9.975 1.00 1.55 C ATOM 425 NE ARG C1923 17.743 9.113 11.315 1.00 2.40 N ATOM 426 CZ ARG C1923 19.009 9.428 11.590 1.00 3.28 C ATOM 427 NH1 ARG C1923 19.934 9.380 10.636 1.00 3.55 N ATOM 428 NH2 ARG C1923 19.354 9.765 12.828 1.00 4.28 N ATOM 0 H ARG C1923 13.400 7.808 7.093 1.00 0.58 H new ATOM 0 HA ARG C1923 14.365 9.709 8.894 1.00 0.73 H new ATOM 0 HB2 ARG C1923 14.556 7.060 8.696 1.00 0.81 H new ATOM 0 HB3 ARG C1923 16.092 7.444 7.945 1.00 0.81 H new ATOM 0 HG2 ARG C1923 15.255 8.457 10.687 1.00 1.13 H new ATOM 0 HG3 ARG C1923 16.190 6.997 10.430 1.00 1.13 H new ATOM 0 HD2 ARG C1923 18.011 8.261 9.421 1.00 1.55 H new ATOM 0 HD3 ARG C1923 17.061 9.733 9.435 1.00 1.55 H new ATOM 0 HE ARG C1923 17.079 9.085 12.089 1.00 2.40 H new ATOM 0 HH11 ARG C1923 19.676 9.101 9.689 1.00 3.55 H new ATOM 0 HH12 ARG C1923 20.901 9.622 10.851 1.00 3.55 H new ATOM 0 HH21 ARG C1923 18.651 9.782 13.567 1.00 4.28 H new ATOM 0 HH22 ARG C1923 20.322 10.006 13.040 1.00 4.28 H new ATOM 442 N GLY C1924 16.143 9.440 6.123 1.00 1.22 N ATOM 443 CA GLY C1924 17.016 10.208 5.257 1.00 1.93 C ATOM 444 C GLY C1924 18.146 9.373 4.713 1.00 1.43 C ATOM 445 O GLY C1924 18.622 9.598 3.602 1.00 1.98 O ATOM 0 H GLY C1924 15.838 8.544 5.742 1.00 1.22 H new ATOM 0 HA2 GLY C1924 16.437 10.618 4.430 1.00 1.93 H new ATOM 0 HA3 GLY C1924 17.424 11.054 5.811 1.00 1.93 H new ATOM 449 N ASP C1925 18.557 8.393 5.497 1.00 0.81 N ATOM 450 CA ASP C1925 19.632 7.496 5.102 1.00 1.16 C ATOM 451 C ASP C1925 19.118 6.461 4.110 1.00 0.95 C ATOM 452 O ASP C1925 19.898 5.843 3.382 1.00 1.23 O ATOM 453 CB ASP C1925 20.210 6.801 6.330 1.00 1.89 C ATOM 454 CG ASP C1925 20.576 7.774 7.430 1.00 2.48 C ATOM 455 OD1 ASP C1925 21.698 8.317 7.407 1.00 2.71 O ATOM 456 OD2 ASP C1925 19.738 7.998 8.327 1.00 2.98 O ATOM 0 H ASP C1925 18.161 8.196 6.416 1.00 0.81 H new ATOM 0 HA ASP C1925 20.417 8.080 4.623 1.00 1.16 H new ATOM 0 HB2 ASP C1925 19.484 6.083 6.712 1.00 1.89 H new ATOM 0 HB3 ASP C1925 21.096 6.236 6.040 1.00 1.89 H new ATOM 461 N LEU C1926 17.798 6.275 4.105 1.00 0.64 N ATOM 462 CA LEU C1926 17.131 5.387 3.167 1.00 0.60 C ATOM 463 C LEU C1926 17.581 5.631 1.730 1.00 0.54 C ATOM 464 O LEU C1926 17.635 6.770 1.265 1.00 0.72 O ATOM 465 CB LEU C1926 15.624 5.592 3.264 1.00 0.93 C ATOM 466 CG LEU C1926 14.819 4.445 3.874 1.00 0.48 C ATOM 467 CD1 LEU C1926 13.781 3.978 2.867 1.00 0.56 C ATOM 468 CD2 LEU C1926 15.707 3.281 4.283 1.00 0.57 C ATOM 0 H LEU C1926 17.164 6.740 4.755 1.00 0.64 H new ATOM 0 HA LEU C1926 17.397 4.363 3.431 1.00 0.60 H new ATOM 0 HB2 LEU C1926 15.439 6.490 3.853 1.00 0.93 H new ATOM 0 HB3 LEU C1926 15.240 5.783 2.262 1.00 0.93 H new ATOM 0 HG LEU C1926 14.332 4.812 4.777 1.00 0.48 H new ATOM 0 HD11 LEU C1926 13.202 3.159 3.294 1.00 0.56 H new ATOM 0 HD12 LEU C1926 13.114 4.805 2.622 1.00 0.56 H new ATOM 0 HD13 LEU C1926 14.281 3.635 1.962 1.00 0.56 H new ATOM 0 HD21 LEU C1926 15.094 2.488 4.712 1.00 0.57 H new ATOM 0 HD22 LEU C1926 16.233 2.900 3.408 1.00 0.57 H new ATOM 0 HD23 LEU C1926 16.432 3.619 5.023 1.00 0.57 H new ATOM 480 N PRO C1927 17.898 4.547 1.009 1.00 0.46 N ATOM 481 CA PRO C1927 18.328 4.617 -0.383 1.00 0.55 C ATOM 482 C PRO C1927 17.161 4.660 -1.349 1.00 0.63 C ATOM 483 O PRO C1927 17.347 4.562 -2.563 1.00 1.12 O ATOM 484 CB PRO C1927 19.076 3.310 -0.569 1.00 0.54 C ATOM 485 CG PRO C1927 18.406 2.348 0.353 1.00 0.44 C ATOM 486 CD PRO C1927 17.869 3.159 1.505 1.00 0.41 C ATOM 0 HA PRO C1927 18.912 5.516 -0.581 1.00 0.55 H new ATOM 0 HB2 PRO C1927 19.023 2.968 -1.603 1.00 0.54 H new ATOM 0 HB3 PRO C1927 20.132 3.421 -0.324 1.00 0.54 H new ATOM 0 HG2 PRO C1927 17.601 1.819 -0.157 1.00 0.44 H new ATOM 0 HG3 PRO C1927 19.110 1.594 0.705 1.00 0.44 H new ATOM 0 HD2 PRO C1927 16.858 2.852 1.772 1.00 0.41 H new ATOM 0 HD3 PRO C1927 18.484 3.041 2.397 1.00 0.41 H new ATOM 494 N PHE C1928 15.964 4.777 -0.808 1.00 0.30 N ATOM 495 CA PHE C1928 14.770 4.755 -1.618 1.00 0.27 C ATOM 496 C PHE C1928 13.716 5.657 -1.009 1.00 0.27 C ATOM 497 O PHE C1928 13.486 5.627 0.200 1.00 0.31 O ATOM 498 CB PHE C1928 14.287 3.309 -1.784 1.00 0.24 C ATOM 499 CG PHE C1928 12.997 2.955 -1.125 1.00 0.23 C ATOM 500 CD1 PHE C1928 11.855 3.599 -1.504 1.00 0.30 C ATOM 501 CD2 PHE C1928 12.932 2.012 -0.123 1.00 0.26 C ATOM 502 CE1 PHE C1928 10.653 3.308 -0.906 1.00 0.33 C ATOM 503 CE2 PHE C1928 11.745 1.717 0.477 1.00 0.29 C ATOM 504 CZ PHE C1928 10.640 2.237 0.091 1.00 0.27 C ATOM 0 H PHE C1928 15.796 4.888 0.192 1.00 0.30 H new ATOM 0 HA PHE C1928 14.983 5.142 -2.614 1.00 0.27 H new ATOM 0 HB2 PHE C1928 14.193 3.102 -2.850 1.00 0.24 H new ATOM 0 HB3 PHE C1928 15.060 2.645 -1.397 1.00 0.24 H new ATOM 0 HD1 PHE C1928 11.897 4.346 -2.283 1.00 0.30 H new ATOM 0 HD2 PHE C1928 13.831 1.502 0.190 1.00 0.26 H new ATOM 0 HE1 PHE C1928 9.753 3.848 -1.162 1.00 0.33 H new ATOM 0 HE2 PHE C1928 11.735 1.023 1.304 1.00 0.29 H new ATOM 0 HZ PHE C1928 9.703 1.887 0.499 1.00 0.27 H new ATOM 514 N VAL C1929 13.077 6.439 -1.867 1.00 0.25 N ATOM 515 CA VAL C1929 12.117 7.456 -1.465 1.00 0.25 C ATOM 516 C VAL C1929 11.321 7.910 -2.665 1.00 0.25 C ATOM 517 O VAL C1929 11.762 7.751 -3.801 1.00 0.27 O ATOM 518 CB VAL C1929 12.820 8.694 -0.902 1.00 0.29 C ATOM 519 CG1 VAL C1929 13.296 8.461 0.509 1.00 0.62 C ATOM 520 CG2 VAL C1929 13.981 9.038 -1.805 1.00 0.62 C ATOM 0 H VAL C1929 13.213 6.384 -2.876 1.00 0.25 H new ATOM 0 HA VAL C1929 11.476 7.012 -0.703 1.00 0.25 H new ATOM 0 HB VAL C1929 12.114 9.524 -0.869 1.00 0.29 H new ATOM 0 HG11 VAL C1929 13.791 9.359 0.879 1.00 0.62 H new ATOM 0 HG12 VAL C1929 12.443 8.227 1.147 1.00 0.62 H new ATOM 0 HG13 VAL C1929 13.999 7.628 0.523 1.00 0.62 H new ATOM 0 HG21 VAL C1929 14.494 9.919 -1.419 1.00 0.62 H new ATOM 0 HG22 VAL C1929 14.676 8.199 -1.839 1.00 0.62 H new ATOM 0 HG23 VAL C1929 13.612 9.245 -2.810 1.00 0.62 H new ATOM 530 N VAL C1930 10.169 8.495 -2.426 1.00 0.26 N ATOM 531 CA VAL C1930 9.407 9.074 -3.508 1.00 0.26 C ATOM 532 C VAL C1930 10.078 10.355 -4.001 1.00 0.29 C ATOM 533 O VAL C1930 10.377 11.259 -3.215 1.00 0.32 O ATOM 534 CB VAL C1930 7.955 9.392 -3.104 1.00 0.28 C ATOM 535 CG1 VAL C1930 7.194 9.983 -4.277 1.00 0.34 C ATOM 536 CG2 VAL C1930 7.251 8.150 -2.602 1.00 0.32 C ATOM 0 H VAL C1930 9.743 8.582 -1.503 1.00 0.26 H new ATOM 0 HA VAL C1930 9.379 8.330 -4.304 1.00 0.26 H new ATOM 0 HB VAL C1930 7.982 10.124 -2.297 1.00 0.28 H new ATOM 0 HG11 VAL C1930 6.170 10.202 -3.974 1.00 0.34 H new ATOM 0 HG12 VAL C1930 7.681 10.903 -4.600 1.00 0.34 H new ATOM 0 HG13 VAL C1930 7.184 9.269 -5.101 1.00 0.34 H new ATOM 0 HG21 VAL C1930 6.227 8.400 -2.323 1.00 0.32 H new ATOM 0 HG22 VAL C1930 7.239 7.396 -3.389 1.00 0.32 H new ATOM 0 HG23 VAL C1930 7.779 7.759 -1.732 1.00 0.32 H new ATOM 546 N PRO C1931 10.365 10.416 -5.301 1.00 0.34 N ATOM 547 CA PRO C1931 10.846 11.627 -5.968 1.00 0.42 C ATOM 548 C PRO C1931 9.759 12.690 -6.007 1.00 0.45 C ATOM 549 O PRO C1931 8.650 12.448 -5.550 1.00 0.45 O ATOM 550 CB PRO C1931 11.190 11.154 -7.383 1.00 0.56 C ATOM 551 CG PRO C1931 10.353 9.940 -7.584 1.00 0.48 C ATOM 552 CD PRO C1931 10.241 9.290 -6.233 1.00 0.36 C ATOM 0 HA PRO C1931 11.695 12.080 -5.456 1.00 0.42 H new ATOM 0 HB2 PRO C1931 10.962 11.920 -8.124 1.00 0.56 H new ATOM 0 HB3 PRO C1931 12.251 10.924 -7.478 1.00 0.56 H new ATOM 0 HG2 PRO C1931 9.370 10.203 -7.974 1.00 0.48 H new ATOM 0 HG3 PRO C1931 10.812 9.264 -8.306 1.00 0.48 H new ATOM 0 HD2 PRO C1931 9.289 8.773 -6.114 1.00 0.36 H new ATOM 0 HD3 PRO C1931 11.027 8.551 -6.077 1.00 0.36 H new ATOM 560 N ARG C1932 10.092 13.885 -6.475 1.00 0.54 N ATOM 561 CA ARG C1932 9.073 14.907 -6.697 1.00 0.70 C ATOM 562 C ARG C1932 7.908 14.337 -7.492 1.00 0.89 C ATOM 563 O ARG C1932 8.050 14.047 -8.679 1.00 1.79 O ATOM 564 CB ARG C1932 9.651 16.122 -7.423 1.00 0.83 C ATOM 565 CG ARG C1932 10.475 17.026 -6.531 1.00 1.53 C ATOM 566 CD ARG C1932 10.987 18.233 -7.293 1.00 2.00 C ATOM 567 NE ARG C1932 11.575 19.222 -6.400 1.00 2.79 N ATOM 568 CZ ARG C1932 12.644 19.955 -6.696 1.00 3.62 C ATOM 569 NH1 ARG C1932 13.237 19.836 -7.879 1.00 3.88 N ATOM 570 NH2 ARG C1932 13.114 20.819 -5.809 1.00 4.56 N ATOM 0 H ARG C1932 11.044 14.170 -6.706 1.00 0.54 H new ATOM 0 HA ARG C1932 8.715 15.231 -5.720 1.00 0.70 H new ATOM 0 HB2 ARG C1932 10.272 15.779 -8.251 1.00 0.83 H new ATOM 0 HB3 ARG C1932 8.834 16.699 -7.855 1.00 0.83 H new ATOM 0 HG2 ARG C1932 9.871 17.356 -5.686 1.00 1.53 H new ATOM 0 HG3 ARG C1932 11.317 16.468 -6.122 1.00 1.53 H new ATOM 0 HD2 ARG C1932 11.731 17.914 -8.023 1.00 2.00 H new ATOM 0 HD3 ARG C1932 10.167 18.687 -7.850 1.00 2.00 H new ATOM 0 HE ARG C1932 11.138 19.361 -5.489 1.00 2.79 H new ATOM 0 HH11 ARG C1932 12.873 19.178 -8.568 1.00 3.88 H new ATOM 0 HH12 ARG C1932 14.057 20.402 -8.098 1.00 3.88 H new ATOM 0 HH21 ARG C1932 12.656 20.920 -4.903 1.00 4.56 H new ATOM 0 HH22 ARG C1932 13.934 21.383 -6.032 1.00 4.56 H new ATOM 584 N ARG C1933 6.765 14.175 -6.812 1.00 0.74 N ATOM 585 CA ARG C1933 5.579 13.552 -7.399 1.00 0.76 C ATOM 586 C ARG C1933 5.907 12.123 -7.764 1.00 0.65 C ATOM 587 O ARG C1933 6.729 11.482 -7.120 1.00 0.69 O ATOM 588 CB ARG C1933 5.131 14.323 -8.643 1.00 0.95 C ATOM 589 CG ARG C1933 5.082 15.821 -8.432 1.00 1.66 C ATOM 590 CD ARG C1933 5.297 16.566 -9.732 1.00 1.80 C ATOM 591 NE ARG C1933 5.633 17.965 -9.494 1.00 2.56 N ATOM 592 CZ ARG C1933 6.541 18.638 -10.191 1.00 2.86 C ATOM 593 NH1 ARG C1933 7.185 18.047 -11.192 1.00 2.53 N ATOM 594 NH2 ARG C1933 6.819 19.897 -9.876 1.00 3.92 N ATOM 0 H ARG C1933 6.640 14.472 -5.844 1.00 0.74 H new ATOM 0 HA ARG C1933 4.764 13.570 -6.675 1.00 0.76 H new ATOM 0 HB2 ARG C1933 5.812 14.101 -9.465 1.00 0.95 H new ATOM 0 HB3 ARG C1933 4.144 13.973 -8.943 1.00 0.95 H new ATOM 0 HG2 ARG C1933 4.118 16.099 -8.006 1.00 1.66 H new ATOM 0 HG3 ARG C1933 5.846 16.114 -7.712 1.00 1.66 H new ATOM 0 HD2 ARG C1933 6.097 16.089 -10.298 1.00 1.80 H new ATOM 0 HD3 ARG C1933 4.395 16.505 -10.341 1.00 1.80 H new ATOM 0 HE ARG C1933 5.141 18.456 -8.747 1.00 2.56 H new ATOM 0 HH11 ARG C1933 6.982 17.075 -11.426 1.00 2.53 H new ATOM 0 HH12 ARG C1933 7.882 18.565 -11.727 1.00 2.53 H new ATOM 0 HH21 ARG C1933 6.335 20.347 -9.099 1.00 3.92 H new ATOM 0 HH22 ARG C1933 7.516 20.415 -10.411 1.00 3.92 H new ATOM 608 N MET C1934 5.259 11.605 -8.778 1.00 0.70 N ATOM 609 CA MET C1934 5.712 10.361 -9.344 1.00 0.73 C ATOM 610 C MET C1934 6.923 10.700 -10.195 1.00 0.84 C ATOM 611 O MET C1934 7.839 9.889 -10.363 1.00 1.02 O ATOM 612 CB MET C1934 4.615 9.679 -10.162 1.00 0.81 C ATOM 613 CG MET C1934 3.225 9.722 -9.521 1.00 0.89 C ATOM 614 SD MET C1934 3.228 9.730 -7.708 1.00 1.18 S ATOM 615 CE MET C1934 4.176 8.265 -7.307 1.00 0.55 C ATOM 0 H MET C1934 4.435 12.014 -9.219 1.00 0.70 H new ATOM 0 HA MET C1934 5.973 9.647 -8.562 1.00 0.73 H new ATOM 0 HB2 MET C1934 4.564 10.152 -11.143 1.00 0.81 H new ATOM 0 HB3 MET C1934 4.894 8.638 -10.324 1.00 0.81 H new ATOM 0 HG2 MET C1934 2.704 10.612 -9.874 1.00 0.89 H new ATOM 0 HG3 MET C1934 2.654 8.860 -9.866 1.00 0.89 H new ATOM 0 HE1 MET C1934 3.599 7.631 -6.634 1.00 0.55 H new ATOM 0 HE2 MET C1934 4.400 7.715 -8.221 1.00 0.55 H new ATOM 0 HE3 MET C1934 5.108 8.556 -6.822 1.00 0.55 H new ATOM 625 N ALA C1935 6.860 11.928 -10.728 1.00 0.93 N ATOM 626 CA ALA C1935 7.984 12.660 -11.305 1.00 1.04 C ATOM 627 C ALA C1935 7.450 13.813 -12.143 1.00 1.66 C ATOM 628 O ALA C1935 7.578 14.980 -11.714 1.00 2.07 O ATOM 629 CB ALA C1935 8.899 11.784 -12.132 1.00 1.04 C ATOM 630 OXT ALA C1935 6.846 13.542 -13.200 1.00 2.38 O ATOM 0 H ALA C1935 5.988 12.455 -10.768 1.00 0.93 H new ATOM 0 HA ALA C1935 8.589 13.039 -10.481 1.00 1.04 H new ATOM 0 HB1 ALA C1935 9.714 12.386 -12.533 1.00 1.04 H new ATOM 0 HB2 ALA C1935 9.308 10.991 -11.506 1.00 1.04 H new ATOM 0 HB3 ALA C1935 8.335 11.343 -12.954 1.00 1.04 H new TER 636 ALA C1935 ATOM 637 N MET A 1 0.111 -3.757 -20.763 1.00 1.37 N ATOM 638 CA MET A 1 1.151 -4.148 -19.788 1.00 0.72 C ATOM 639 C MET A 1 1.845 -2.916 -19.215 1.00 0.58 C ATOM 640 O MET A 1 2.596 -2.230 -19.912 1.00 0.77 O ATOM 641 CB MET A 1 2.181 -5.069 -20.452 1.00 1.65 C ATOM 642 CG MET A 1 3.371 -5.401 -19.565 1.00 2.36 C ATOM 643 SD MET A 1 2.893 -6.193 -18.019 1.00 3.50 S ATOM 644 CE MET A 1 4.492 -6.365 -17.229 1.00 4.47 C ATOM 0 H1 MET A 1 -0.349 -4.610 -21.141 1.00 1.37 H new ATOM 0 H2 MET A 1 -0.599 -3.160 -20.293 1.00 1.37 H new ATOM 0 H3 MET A 1 0.548 -3.225 -21.543 1.00 1.37 H new ATOM 0 HA MET A 1 0.669 -4.685 -18.971 1.00 0.72 H new ATOM 0 HB2 MET A 1 1.689 -5.996 -20.746 1.00 1.65 H new ATOM 0 HB3 MET A 1 2.542 -4.596 -21.365 1.00 1.65 H new ATOM 0 HG2 MET A 1 4.051 -6.057 -20.108 1.00 2.36 H new ATOM 0 HG3 MET A 1 3.920 -4.486 -19.344 1.00 2.36 H new ATOM 0 HE1 MET A 1 4.368 -6.841 -16.256 1.00 4.47 H new ATOM 0 HE2 MET A 1 5.142 -6.978 -17.853 1.00 4.47 H new ATOM 0 HE3 MET A 1 4.940 -5.380 -17.097 1.00 4.47 H new ATOM 654 N ALA A 2 1.578 -2.626 -17.951 1.00 0.37 N ATOM 655 CA ALA A 2 2.238 -1.524 -17.271 1.00 0.33 C ATOM 656 C ALA A 2 3.290 -2.061 -16.315 1.00 0.30 C ATOM 657 O ALA A 2 3.337 -3.265 -16.065 1.00 0.39 O ATOM 658 CB ALA A 2 1.220 -0.685 -16.516 1.00 0.33 C ATOM 0 H ALA A 2 0.909 -3.138 -17.376 1.00 0.37 H new ATOM 0 HA ALA A 2 2.725 -0.892 -18.014 1.00 0.33 H new ATOM 0 HB1 ALA A 2 1.728 0.137 -16.011 1.00 0.33 H new ATOM 0 HB2 ALA A 2 0.488 -0.283 -17.217 1.00 0.33 H new ATOM 0 HB3 ALA A 2 0.713 -1.306 -15.778 1.00 0.33 H new ATOM 664 N CYS A 3 4.138 -1.179 -15.796 1.00 0.29 N ATOM 665 CA CYS A 3 5.096 -1.561 -14.778 1.00 0.27 C ATOM 666 C CYS A 3 4.348 -1.814 -13.478 1.00 0.22 C ATOM 667 O CYS A 3 3.901 -0.878 -12.817 1.00 0.21 O ATOM 668 CB CYS A 3 6.149 -0.469 -14.602 1.00 0.32 C ATOM 669 SG CYS A 3 7.034 -0.057 -16.126 1.00 0.43 S ATOM 0 H CYS A 3 4.177 -0.196 -16.067 1.00 0.29 H new ATOM 0 HA CYS A 3 5.615 -2.471 -15.078 1.00 0.27 H new ATOM 0 HB2 CYS A 3 5.666 0.430 -14.219 1.00 0.32 H new ATOM 0 HB3 CYS A 3 6.870 -0.790 -13.850 1.00 0.32 H new ATOM 0 HG CYS A 3 7.904 0.878 -15.883 1.00 0.43 H new ATOM 675 N PRO A 4 4.196 -3.092 -13.117 1.00 0.20 N ATOM 676 CA PRO A 4 3.281 -3.531 -12.051 1.00 0.18 C ATOM 677 C PRO A 4 3.448 -2.778 -10.740 1.00 0.16 C ATOM 678 O PRO A 4 2.543 -2.067 -10.302 1.00 0.16 O ATOM 679 CB PRO A 4 3.689 -4.989 -11.862 1.00 0.21 C ATOM 680 CG PRO A 4 4.159 -5.408 -13.205 1.00 0.24 C ATOM 681 CD PRO A 4 4.918 -4.229 -13.721 1.00 0.24 C ATOM 0 HA PRO A 4 2.239 -3.362 -12.324 1.00 0.18 H new ATOM 0 HB2 PRO A 4 4.476 -5.089 -11.115 1.00 0.21 H new ATOM 0 HB3 PRO A 4 2.850 -5.598 -11.525 1.00 0.21 H new ATOM 0 HG2 PRO A 4 4.793 -6.293 -13.145 1.00 0.24 H new ATOM 0 HG3 PRO A 4 3.323 -5.658 -13.858 1.00 0.24 H new ATOM 0 HD2 PRO A 4 5.964 -4.254 -13.414 1.00 0.24 H new ATOM 0 HD3 PRO A 4 4.906 -4.184 -14.810 1.00 0.24 H new ATOM 689 N LEU A 5 4.618 -2.902 -10.134 1.00 0.16 N ATOM 690 CA LEU A 5 4.859 -2.303 -8.832 1.00 0.17 C ATOM 691 C LEU A 5 4.989 -0.791 -8.966 1.00 0.19 C ATOM 692 O LEU A 5 4.669 -0.050 -8.043 1.00 0.24 O ATOM 693 CB LEU A 5 6.117 -2.904 -8.200 1.00 0.17 C ATOM 694 CG LEU A 5 5.989 -3.314 -6.725 1.00 0.18 C ATOM 695 CD1 LEU A 5 5.766 -2.105 -5.840 1.00 0.20 C ATOM 696 CD2 LEU A 5 4.860 -4.314 -6.540 1.00 0.20 C ATOM 0 H LEU A 5 5.413 -3.410 -10.522 1.00 0.16 H new ATOM 0 HA LEU A 5 4.012 -2.517 -8.180 1.00 0.17 H new ATOM 0 HB2 LEU A 5 6.409 -3.781 -8.778 1.00 0.17 H new ATOM 0 HB3 LEU A 5 6.927 -2.180 -8.288 1.00 0.17 H new ATOM 0 HG LEU A 5 6.926 -3.786 -6.430 1.00 0.18 H new ATOM 0 HD11 LEU A 5 5.679 -2.425 -4.802 1.00 0.20 H new ATOM 0 HD12 LEU A 5 6.609 -1.421 -5.939 1.00 0.20 H new ATOM 0 HD13 LEU A 5 4.849 -1.598 -6.141 1.00 0.20 H new ATOM 0 HD21 LEU A 5 4.788 -4.590 -5.488 1.00 0.20 H new ATOM 0 HD22 LEU A 5 3.920 -3.866 -6.863 1.00 0.20 H new ATOM 0 HD23 LEU A 5 5.061 -5.204 -7.136 1.00 0.20 H new ATOM 708 N GLU A 6 5.425 -0.342 -10.134 1.00 0.19 N ATOM 709 CA GLU A 6 5.577 1.082 -10.392 1.00 0.23 C ATOM 710 C GLU A 6 4.212 1.759 -10.358 1.00 0.21 C ATOM 711 O GLU A 6 4.026 2.788 -9.705 1.00 0.25 O ATOM 712 CB GLU A 6 6.266 1.297 -11.746 1.00 0.32 C ATOM 713 CG GLU A 6 6.757 2.716 -12.002 1.00 0.47 C ATOM 714 CD GLU A 6 5.658 3.664 -12.434 1.00 0.90 C ATOM 715 OE1 GLU A 6 4.749 3.234 -13.175 1.00 1.78 O ATOM 716 OE2 GLU A 6 5.708 4.848 -12.048 1.00 1.39 O ATOM 0 H GLU A 6 5.680 -0.943 -10.918 1.00 0.19 H new ATOM 0 HA GLU A 6 6.201 1.529 -9.618 1.00 0.23 H new ATOM 0 HB2 GLU A 6 7.115 0.617 -11.816 1.00 0.32 H new ATOM 0 HB3 GLU A 6 5.570 1.021 -12.538 1.00 0.32 H new ATOM 0 HG2 GLU A 6 7.223 3.101 -11.095 1.00 0.47 H new ATOM 0 HG3 GLU A 6 7.529 2.692 -12.771 1.00 0.47 H new ATOM 723 N LYS A 7 3.255 1.155 -11.049 1.00 0.18 N ATOM 724 CA LYS A 7 1.902 1.672 -11.094 1.00 0.20 C ATOM 725 C LYS A 7 1.247 1.617 -9.720 1.00 0.17 C ATOM 726 O LYS A 7 0.503 2.517 -9.362 1.00 0.19 O ATOM 727 CB LYS A 7 1.063 0.898 -12.115 1.00 0.26 C ATOM 728 CG LYS A 7 1.414 1.204 -13.565 1.00 0.41 C ATOM 729 CD LYS A 7 0.630 2.397 -14.103 1.00 0.90 C ATOM 730 CE LYS A 7 1.033 3.709 -13.447 1.00 0.83 C ATOM 731 NZ LYS A 7 2.402 4.141 -13.836 1.00 1.16 N ATOM 0 H LYS A 7 3.396 0.301 -11.588 1.00 0.18 H new ATOM 0 HA LYS A 7 1.953 2.716 -11.404 1.00 0.20 H new ATOM 0 HB2 LYS A 7 1.190 -0.170 -11.939 1.00 0.26 H new ATOM 0 HB3 LYS A 7 0.010 1.125 -11.951 1.00 0.26 H new ATOM 0 HG2 LYS A 7 2.482 1.406 -13.645 1.00 0.41 H new ATOM 0 HG3 LYS A 7 1.209 0.328 -14.180 1.00 0.41 H new ATOM 0 HD2 LYS A 7 0.784 2.472 -15.180 1.00 0.90 H new ATOM 0 HD3 LYS A 7 -0.435 2.228 -13.944 1.00 0.90 H new ATOM 0 HE2 LYS A 7 0.318 4.484 -13.723 1.00 0.83 H new ATOM 0 HE3 LYS A 7 0.983 3.601 -12.364 1.00 0.83 H new ATOM 0 HZ1 LYS A 7 2.537 5.140 -13.580 1.00 1.16 H new ATOM 0 HZ2 LYS A 7 3.105 3.558 -13.338 1.00 1.16 H new ATOM 0 HZ3 LYS A 7 2.523 4.028 -14.863 1.00 1.16 H new ATOM 745 N ALA A 8 1.550 0.574 -8.950 1.00 0.18 N ATOM 746 CA ALA A 8 0.953 0.381 -7.624 1.00 0.19 C ATOM 747 C ALA A 8 0.993 1.656 -6.780 1.00 0.17 C ATOM 748 O ALA A 8 -0.046 2.121 -6.313 1.00 0.21 O ATOM 749 CB ALA A 8 1.649 -0.758 -6.897 1.00 0.20 C ATOM 0 H ALA A 8 2.209 -0.156 -9.221 1.00 0.18 H new ATOM 0 HA ALA A 8 -0.096 0.127 -7.773 1.00 0.19 H new ATOM 0 HB1 ALA A 8 1.197 -0.892 -5.914 1.00 0.20 H new ATOM 0 HB2 ALA A 8 1.542 -1.677 -7.474 1.00 0.20 H new ATOM 0 HB3 ALA A 8 2.707 -0.523 -6.781 1.00 0.20 H new ATOM 755 N LEU A 9 2.176 2.229 -6.601 1.00 0.14 N ATOM 756 CA LEU A 9 2.312 3.437 -5.786 1.00 0.14 C ATOM 757 C LEU A 9 1.777 4.658 -6.532 1.00 0.13 C ATOM 758 O LEU A 9 1.135 5.529 -5.942 1.00 0.16 O ATOM 759 CB LEU A 9 3.774 3.686 -5.383 1.00 0.15 C ATOM 760 CG LEU A 9 4.445 2.582 -4.556 1.00 0.16 C ATOM 761 CD1 LEU A 9 3.508 2.067 -3.483 1.00 0.19 C ATOM 762 CD2 LEU A 9 4.920 1.445 -5.436 1.00 0.15 C ATOM 0 H LEU A 9 3.048 1.885 -7.002 1.00 0.14 H new ATOM 0 HA LEU A 9 1.725 3.280 -4.881 1.00 0.14 H new ATOM 0 HB2 LEU A 9 4.359 3.838 -6.290 1.00 0.15 H new ATOM 0 HB3 LEU A 9 3.820 4.615 -4.815 1.00 0.15 H new ATOM 0 HG LEU A 9 5.318 3.019 -4.071 1.00 0.16 H new ATOM 0 HD11 LEU A 9 4.006 1.285 -2.910 1.00 0.19 H new ATOM 0 HD12 LEU A 9 3.232 2.885 -2.818 1.00 0.19 H new ATOM 0 HD13 LEU A 9 2.610 1.660 -3.949 1.00 0.19 H new ATOM 0 HD21 LEU A 9 5.391 0.680 -4.819 1.00 0.15 H new ATOM 0 HD22 LEU A 9 4.069 1.013 -5.964 1.00 0.15 H new ATOM 0 HD23 LEU A 9 5.642 1.822 -6.160 1.00 0.15 H new ATOM 774 N ASP A 10 2.046 4.704 -7.831 1.00 0.14 N ATOM 775 CA ASP A 10 1.618 5.812 -8.685 1.00 0.15 C ATOM 776 C ASP A 10 0.106 5.981 -8.651 1.00 0.15 C ATOM 777 O ASP A 10 -0.403 7.088 -8.470 1.00 0.18 O ATOM 778 CB ASP A 10 2.089 5.548 -10.124 1.00 0.19 C ATOM 779 CG ASP A 10 1.674 6.623 -11.116 1.00 0.48 C ATOM 780 OD1 ASP A 10 0.541 6.557 -11.642 1.00 1.18 O ATOM 781 OD2 ASP A 10 2.499 7.511 -11.410 1.00 1.19 O ATOM 0 H ASP A 10 2.565 3.978 -8.324 1.00 0.14 H new ATOM 0 HA ASP A 10 2.063 6.735 -8.313 1.00 0.15 H new ATOM 0 HB2 ASP A 10 3.176 5.462 -10.130 1.00 0.19 H new ATOM 0 HB3 ASP A 10 1.692 4.589 -10.456 1.00 0.19 H new ATOM 786 N VAL A 11 -0.606 4.876 -8.793 1.00 0.16 N ATOM 787 CA VAL A 11 -2.055 4.910 -8.866 1.00 0.18 C ATOM 788 C VAL A 11 -2.674 5.164 -7.501 1.00 0.18 C ATOM 789 O VAL A 11 -3.813 5.601 -7.412 1.00 0.23 O ATOM 790 CB VAL A 11 -2.630 3.613 -9.458 1.00 0.20 C ATOM 791 CG1 VAL A 11 -1.979 3.323 -10.798 1.00 0.23 C ATOM 792 CG2 VAL A 11 -2.456 2.446 -8.497 1.00 0.18 C ATOM 0 H VAL A 11 -0.202 3.942 -8.860 1.00 0.16 H new ATOM 0 HA VAL A 11 -2.311 5.736 -9.530 1.00 0.18 H new ATOM 0 HB VAL A 11 -3.700 3.746 -9.614 1.00 0.20 H new ATOM 0 HG11 VAL A 11 -2.391 2.403 -11.211 1.00 0.23 H new ATOM 0 HG12 VAL A 11 -2.174 4.148 -11.483 1.00 0.23 H new ATOM 0 HG13 VAL A 11 -0.903 3.210 -10.663 1.00 0.23 H new ATOM 0 HG21 VAL A 11 -2.872 1.542 -8.943 1.00 0.18 H new ATOM 0 HG22 VAL A 11 -1.395 2.296 -8.295 1.00 0.18 H new ATOM 0 HG23 VAL A 11 -2.976 2.663 -7.564 1.00 0.18 H new ATOM 802 N MET A 12 -1.927 4.892 -6.440 1.00 0.16 N ATOM 803 CA MET A 12 -2.401 5.164 -5.091 1.00 0.20 C ATOM 804 C MET A 12 -2.745 6.640 -4.933 1.00 0.24 C ATOM 805 O MET A 12 -3.890 6.988 -4.659 1.00 0.40 O ATOM 806 CB MET A 12 -1.353 4.743 -4.066 1.00 0.25 C ATOM 807 CG MET A 12 -1.356 3.254 -3.778 1.00 0.17 C ATOM 808 SD MET A 12 0.146 2.709 -2.952 1.00 0.72 S ATOM 809 CE MET A 12 -0.345 1.100 -2.363 1.00 0.19 C ATOM 0 H MET A 12 -0.993 4.484 -6.487 1.00 0.16 H new ATOM 0 HA MET A 12 -3.306 4.582 -4.917 1.00 0.20 H new ATOM 0 HB2 MET A 12 -0.366 5.034 -4.426 1.00 0.25 H new ATOM 0 HB3 MET A 12 -1.526 5.286 -3.137 1.00 0.25 H new ATOM 0 HG2 MET A 12 -2.218 3.009 -3.157 1.00 0.17 H new ATOM 0 HG3 MET A 12 -1.471 2.707 -4.713 1.00 0.17 H new ATOM 0 HE1 MET A 12 0.523 0.441 -2.340 1.00 0.19 H new ATOM 0 HE2 MET A 12 -0.758 1.191 -1.359 1.00 0.19 H new ATOM 0 HE3 MET A 12 -1.100 0.683 -3.030 1.00 0.19 H new ATOM 819 N VAL A 13 -1.764 7.507 -5.157 1.00 0.17 N ATOM 820 CA VAL A 13 -1.983 8.944 -5.025 1.00 0.19 C ATOM 821 C VAL A 13 -2.728 9.510 -6.241 1.00 0.20 C ATOM 822 O VAL A 13 -3.313 10.593 -6.173 1.00 0.28 O ATOM 823 CB VAL A 13 -0.663 9.720 -4.821 1.00 0.18 C ATOM 824 CG1 VAL A 13 -0.008 9.346 -3.502 1.00 0.21 C ATOM 825 CG2 VAL A 13 0.294 9.490 -5.967 1.00 0.19 C ATOM 0 H VAL A 13 -0.817 7.244 -5.429 1.00 0.17 H new ATOM 0 HA VAL A 13 -2.598 9.078 -4.135 1.00 0.19 H new ATOM 0 HB VAL A 13 -0.910 10.781 -4.794 1.00 0.18 H new ATOM 0 HG11 VAL A 13 0.919 9.907 -3.384 1.00 0.21 H new ATOM 0 HG12 VAL A 13 -0.683 9.584 -2.680 1.00 0.21 H new ATOM 0 HG13 VAL A 13 0.211 8.278 -3.494 1.00 0.21 H new ATOM 0 HG21 VAL A 13 1.212 10.050 -5.792 1.00 0.19 H new ATOM 0 HG22 VAL A 13 0.525 8.427 -6.040 1.00 0.19 H new ATOM 0 HG23 VAL A 13 -0.164 9.826 -6.897 1.00 0.19 H new ATOM 835 N SER A 14 -2.709 8.775 -7.347 1.00 0.19 N ATOM 836 CA SER A 14 -3.406 9.197 -8.557 1.00 0.22 C ATOM 837 C SER A 14 -4.912 8.990 -8.408 1.00 0.24 C ATOM 838 O SER A 14 -5.699 9.923 -8.578 1.00 0.28 O ATOM 839 CB SER A 14 -2.884 8.420 -9.768 1.00 0.24 C ATOM 840 OG SER A 14 -3.456 8.890 -10.977 1.00 1.12 O ATOM 0 H SER A 14 -2.219 7.884 -7.431 1.00 0.19 H new ATOM 0 HA SER A 14 -3.216 10.259 -8.712 1.00 0.22 H new ATOM 0 HB2 SER A 14 -1.799 8.511 -9.819 1.00 0.24 H new ATOM 0 HB3 SER A 14 -3.110 7.361 -9.646 1.00 0.24 H new ATOM 0 HG SER A 14 -3.100 8.374 -11.730 1.00 1.12 H new ATOM 846 N THR A 15 -5.298 7.765 -8.064 1.00 0.25 N ATOM 847 CA THR A 15 -6.699 7.417 -7.864 1.00 0.28 C ATOM 848 C THR A 15 -7.289 8.246 -6.723 1.00 0.30 C ATOM 849 O THR A 15 -8.496 8.497 -6.679 1.00 0.33 O ATOM 850 CB THR A 15 -6.853 5.905 -7.595 1.00 0.28 C ATOM 851 OG1 THR A 15 -6.090 5.176 -8.563 1.00 0.34 O ATOM 852 CG2 THR A 15 -8.302 5.459 -7.687 1.00 0.26 C ATOM 0 H THR A 15 -4.651 6.990 -7.917 1.00 0.25 H new ATOM 0 HA THR A 15 -7.252 7.648 -8.775 1.00 0.28 H new ATOM 0 HB THR A 15 -6.496 5.709 -6.584 1.00 0.28 H new ATOM 0 HG1 THR A 15 -5.171 5.066 -8.240 1.00 0.34 H new ATOM 0 HG21 THR A 15 -8.366 4.389 -7.491 1.00 0.26 H new ATOM 0 HG22 THR A 15 -8.896 5.999 -6.950 1.00 0.26 H new ATOM 0 HG23 THR A 15 -8.685 5.669 -8.686 1.00 0.26 H new ATOM 860 N PHE A 16 -6.420 8.664 -5.797 1.00 0.31 N ATOM 861 CA PHE A 16 -6.790 9.631 -4.767 1.00 0.37 C ATOM 862 C PHE A 16 -7.477 10.839 -5.396 1.00 0.42 C ATOM 863 O PHE A 16 -8.692 11.004 -5.283 1.00 0.54 O ATOM 864 CB PHE A 16 -5.544 10.114 -4.026 1.00 0.45 C ATOM 865 CG PHE A 16 -5.414 9.614 -2.623 1.00 0.36 C ATOM 866 CD1 PHE A 16 -6.213 10.123 -1.618 1.00 1.24 C ATOM 867 CD2 PHE A 16 -4.475 8.651 -2.304 1.00 1.26 C ATOM 868 CE1 PHE A 16 -6.081 9.679 -0.321 1.00 1.39 C ATOM 869 CE2 PHE A 16 -4.342 8.200 -1.010 1.00 1.43 C ATOM 870 CZ PHE A 16 -5.145 8.717 -0.017 1.00 0.99 C ATOM 0 H PHE A 16 -5.453 8.344 -5.743 1.00 0.31 H new ATOM 0 HA PHE A 16 -7.470 9.140 -4.071 1.00 0.37 H new ATOM 0 HB2 PHE A 16 -4.662 9.807 -4.589 1.00 0.45 H new ATOM 0 HB3 PHE A 16 -5.548 11.204 -4.009 1.00 0.45 H new ATOM 0 HD1 PHE A 16 -6.949 10.878 -1.852 1.00 1.24 H new ATOM 0 HD2 PHE A 16 -3.839 8.248 -3.078 1.00 1.26 H new ATOM 0 HE1 PHE A 16 -6.711 10.085 0.456 1.00 1.39 H new ATOM 0 HE2 PHE A 16 -3.610 7.442 -0.774 1.00 1.43 H new ATOM 0 HZ PHE A 16 -5.040 8.368 0.999 1.00 0.99 H new ATOM 880 N HIS A 17 -6.690 11.663 -6.091 1.00 0.44 N ATOM 881 CA HIS A 17 -7.204 12.847 -6.781 1.00 0.54 C ATOM 882 C HIS A 17 -8.360 12.484 -7.710 1.00 0.47 C ATOM 883 O HIS A 17 -9.288 13.269 -7.901 1.00 0.52 O ATOM 884 CB HIS A 17 -6.090 13.507 -7.604 1.00 0.72 C ATOM 885 CG HIS A 17 -5.019 14.174 -6.793 1.00 1.09 C ATOM 886 ND1 HIS A 17 -4.829 15.534 -6.793 1.00 2.16 N ATOM 887 CD2 HIS A 17 -4.070 13.664 -5.969 1.00 1.23 C ATOM 888 CE1 HIS A 17 -3.817 15.836 -6.006 1.00 2.80 C ATOM 889 NE2 HIS A 17 -3.336 14.721 -5.487 1.00 2.27 N ATOM 0 H HIS A 17 -5.684 11.529 -6.191 1.00 0.44 H new ATOM 0 HA HIS A 17 -7.565 13.542 -6.022 1.00 0.54 H new ATOM 0 HB2 HIS A 17 -5.628 12.749 -8.237 1.00 0.72 H new ATOM 0 HB3 HIS A 17 -6.538 14.247 -8.267 1.00 0.72 H new ATOM 0 HD1 HIS A 17 -5.386 16.206 -7.321 1.00 2.16 H new ATOM 0 HD2 HIS A 17 -3.919 12.620 -5.735 1.00 1.23 H new ATOM 0 HE1 HIS A 17 -3.442 16.831 -5.816 1.00 2.80 H new ATOM 898 N LYS A 18 -8.288 11.283 -8.265 1.00 0.43 N ATOM 899 CA LYS A 18 -9.258 10.802 -9.238 1.00 0.46 C ATOM 900 C LYS A 18 -10.667 10.689 -8.639 1.00 0.44 C ATOM 901 O LYS A 18 -11.653 10.962 -9.323 1.00 0.62 O ATOM 902 CB LYS A 18 -8.788 9.443 -9.764 1.00 0.55 C ATOM 903 CG LYS A 18 -9.558 8.915 -10.959 1.00 0.77 C ATOM 904 CD LYS A 18 -9.030 7.551 -11.372 1.00 0.73 C ATOM 905 CE LYS A 18 -9.769 6.996 -12.575 1.00 1.41 C ATOM 906 NZ LYS A 18 -9.489 7.777 -13.807 1.00 1.69 N ATOM 0 H LYS A 18 -7.551 10.611 -8.052 1.00 0.43 H new ATOM 0 HA LYS A 18 -9.321 11.522 -10.054 1.00 0.46 H new ATOM 0 HB2 LYS A 18 -7.735 9.520 -10.035 1.00 0.55 H new ATOM 0 HB3 LYS A 18 -8.857 8.714 -8.956 1.00 0.55 H new ATOM 0 HG2 LYS A 18 -10.617 8.842 -10.713 1.00 0.77 H new ATOM 0 HG3 LYS A 18 -9.471 9.613 -11.792 1.00 0.77 H new ATOM 0 HD2 LYS A 18 -7.968 7.628 -11.603 1.00 0.73 H new ATOM 0 HD3 LYS A 18 -9.125 6.857 -10.537 1.00 0.73 H new ATOM 0 HE2 LYS A 18 -9.480 5.957 -12.731 1.00 1.41 H new ATOM 0 HE3 LYS A 18 -10.841 7.002 -12.377 1.00 1.41 H new ATOM 0 HZ1 LYS A 18 -9.886 7.281 -14.630 1.00 1.69 H new ATOM 0 HZ2 LYS A 18 -9.923 8.719 -13.727 1.00 1.69 H new ATOM 0 HZ3 LYS A 18 -8.461 7.879 -13.927 1.00 1.69 H new ATOM 920 N TYR A 19 -10.767 10.297 -7.369 1.00 0.37 N ATOM 921 CA TYR A 19 -12.077 10.095 -6.743 1.00 0.41 C ATOM 922 C TYR A 19 -12.295 10.977 -5.518 1.00 0.48 C ATOM 923 O TYR A 19 -13.324 11.629 -5.421 1.00 0.73 O ATOM 924 CB TYR A 19 -12.280 8.626 -6.363 1.00 0.43 C ATOM 925 CG TYR A 19 -12.454 7.717 -7.556 1.00 0.38 C ATOM 926 CD1 TYR A 19 -13.713 7.484 -8.100 1.00 1.14 C ATOM 927 CD2 TYR A 19 -11.362 7.103 -8.146 1.00 1.18 C ATOM 928 CE1 TYR A 19 -13.876 6.661 -9.197 1.00 1.14 C ATOM 929 CE2 TYR A 19 -11.512 6.285 -9.245 1.00 1.21 C ATOM 930 CZ TYR A 19 -12.767 6.064 -9.768 1.00 0.48 C ATOM 931 OH TYR A 19 -12.909 5.257 -10.872 1.00 0.59 O ATOM 0 H TYR A 19 -9.970 10.115 -6.759 1.00 0.37 H new ATOM 0 HA TYR A 19 -12.816 10.386 -7.489 1.00 0.41 H new ATOM 0 HB2 TYR A 19 -11.424 8.288 -5.779 1.00 0.43 H new ATOM 0 HB3 TYR A 19 -13.157 8.542 -5.721 1.00 0.43 H new ATOM 0 HD1 TYR A 19 -14.578 7.955 -7.657 1.00 1.14 H new ATOM 0 HD2 TYR A 19 -10.376 7.268 -7.738 1.00 1.18 H new ATOM 0 HE1 TYR A 19 -14.860 6.485 -9.605 1.00 1.14 H new ATOM 0 HE2 TYR A 19 -10.648 5.819 -9.695 1.00 1.21 H new ATOM 0 HH TYR A 19 -12.354 4.456 -10.765 1.00 0.59 H new ATOM 941 N SER A 20 -11.339 11.011 -4.594 1.00 0.38 N ATOM 942 CA SER A 20 -11.522 11.754 -3.341 1.00 0.45 C ATOM 943 C SER A 20 -11.687 13.246 -3.608 1.00 0.54 C ATOM 944 O SER A 20 -12.364 13.955 -2.864 1.00 0.68 O ATOM 945 CB SER A 20 -10.349 11.510 -2.384 1.00 0.47 C ATOM 946 OG SER A 20 -9.124 11.942 -2.944 1.00 0.52 O ATOM 0 H SER A 20 -10.438 10.540 -4.682 1.00 0.38 H new ATOM 0 HA SER A 20 -12.434 11.388 -2.869 1.00 0.45 H new ATOM 0 HB2 SER A 20 -10.527 12.037 -1.447 1.00 0.47 H new ATOM 0 HB3 SER A 20 -10.287 10.448 -2.146 1.00 0.47 H new ATOM 0 HG SER A 20 -9.180 11.904 -3.922 1.00 0.52 H new ATOM 952 N GLY A 21 -11.085 13.713 -4.698 1.00 0.54 N ATOM 953 CA GLY A 21 -11.180 15.112 -5.058 1.00 0.65 C ATOM 954 C GLY A 21 -12.508 15.454 -5.700 1.00 0.68 C ATOM 955 O GLY A 21 -12.678 16.547 -6.246 1.00 0.82 O ATOM 0 H GLY A 21 -10.532 13.144 -5.339 1.00 0.54 H new ATOM 0 HA2 GLY A 21 -11.042 15.724 -4.167 1.00 0.65 H new ATOM 0 HA3 GLY A 21 -10.372 15.363 -5.745 1.00 0.65 H new ATOM 959 N LYS A 22 -13.447 14.522 -5.641 1.00 0.70 N ATOM 960 CA LYS A 22 -14.762 14.725 -6.214 1.00 0.76 C ATOM 961 C LYS A 22 -15.653 15.470 -5.233 1.00 0.85 C ATOM 962 O LYS A 22 -16.085 16.589 -5.506 1.00 0.93 O ATOM 963 CB LYS A 22 -15.386 13.382 -6.593 1.00 0.78 C ATOM 964 CG LYS A 22 -16.755 13.497 -7.235 1.00 1.19 C ATOM 965 CD LYS A 22 -17.277 12.141 -7.668 1.00 1.26 C ATOM 966 CE LYS A 22 -18.631 12.265 -8.337 1.00 1.71 C ATOM 967 NZ LYS A 22 -19.103 10.974 -8.895 1.00 2.08 N ATOM 0 H LYS A 22 -13.318 13.612 -5.198 1.00 0.70 H new ATOM 0 HA LYS A 22 -14.663 15.327 -7.117 1.00 0.76 H new ATOM 0 HB2 LYS A 22 -14.717 12.863 -7.279 1.00 0.78 H new ATOM 0 HB3 LYS A 22 -15.466 12.765 -5.698 1.00 0.78 H new ATOM 0 HG2 LYS A 22 -17.453 13.949 -6.530 1.00 1.19 H new ATOM 0 HG3 LYS A 22 -16.699 14.160 -8.098 1.00 1.19 H new ATOM 0 HD2 LYS A 22 -16.569 11.678 -8.356 1.00 1.26 H new ATOM 0 HD3 LYS A 22 -17.355 11.484 -6.801 1.00 1.26 H new ATOM 0 HE2 LYS A 22 -19.359 12.634 -7.614 1.00 1.71 H new ATOM 0 HE3 LYS A 22 -18.573 13.004 -9.136 1.00 1.71 H new ATOM 0 HZ1 LYS A 22 -20.016 11.115 -9.372 1.00 2.08 H new ATOM 0 HZ2 LYS A 22 -18.407 10.616 -9.580 1.00 2.08 H new ATOM 0 HZ3 LYS A 22 -19.217 10.284 -8.125 1.00 2.08 H new ATOM 981 N GLU A 23 -15.906 14.864 -4.081 1.00 0.96 N ATOM 982 CA GLU A 23 -16.759 15.488 -3.077 1.00 1.13 C ATOM 983 C GLU A 23 -15.939 16.063 -1.925 1.00 1.24 C ATOM 984 O GLU A 23 -16.345 17.043 -1.302 1.00 1.56 O ATOM 985 CB GLU A 23 -17.799 14.498 -2.549 1.00 1.44 C ATOM 986 CG GLU A 23 -18.874 14.151 -3.567 1.00 1.91 C ATOM 987 CD GLU A 23 -19.950 13.239 -3.007 1.00 2.47 C ATOM 988 OE1 GLU A 23 -20.458 13.514 -1.896 1.00 2.94 O ATOM 989 OE2 GLU A 23 -20.324 12.261 -3.691 1.00 3.12 O ATOM 0 H GLU A 23 -15.537 13.950 -3.819 1.00 0.96 H new ATOM 0 HA GLU A 23 -17.281 16.312 -3.562 1.00 1.13 H new ATOM 0 HB2 GLU A 23 -17.294 13.583 -2.239 1.00 1.44 H new ATOM 0 HB3 GLU A 23 -18.272 14.918 -1.661 1.00 1.44 H new ATOM 0 HG2 GLU A 23 -19.336 15.070 -3.927 1.00 1.91 H new ATOM 0 HG3 GLU A 23 -18.410 13.670 -4.428 1.00 1.91 H new ATOM 996 N GLY A 24 -14.787 15.471 -1.653 1.00 1.31 N ATOM 997 CA GLY A 24 -13.955 15.946 -0.564 1.00 1.56 C ATOM 998 C GLY A 24 -12.662 16.560 -1.053 1.00 1.32 C ATOM 999 O GLY A 24 -12.649 17.289 -2.050 1.00 1.41 O ATOM 0 H GLY A 24 -14.412 14.672 -2.164 1.00 1.31 H new ATOM 0 HA2 GLY A 24 -14.508 16.684 0.017 1.00 1.56 H new ATOM 0 HA3 GLY A 24 -13.730 15.116 0.106 1.00 1.56 H new ATOM 1003 N ASP A 25 -11.575 16.274 -0.353 1.00 1.15 N ATOM 1004 CA ASP A 25 -10.259 16.748 -0.759 1.00 1.05 C ATOM 1005 C ASP A 25 -9.533 15.618 -1.470 1.00 0.89 C ATOM 1006 O ASP A 25 -9.945 14.469 -1.376 1.00 0.91 O ATOM 1007 CB ASP A 25 -9.447 17.222 0.449 1.00 1.15 C ATOM 1008 CG ASP A 25 -8.460 18.321 0.091 1.00 1.30 C ATOM 1009 OD1 ASP A 25 -7.641 18.127 -0.832 1.00 1.94 O ATOM 1010 OD2 ASP A 25 -8.500 19.390 0.738 1.00 1.80 O ATOM 0 H ASP A 25 -11.577 15.715 0.500 1.00 1.15 H new ATOM 0 HA ASP A 25 -10.376 17.598 -1.431 1.00 1.05 H new ATOM 0 HB2 ASP A 25 -10.127 17.585 1.220 1.00 1.15 H new ATOM 0 HB3 ASP A 25 -8.906 16.376 0.874 1.00 1.15 H new ATOM 1015 N LYS A 26 -8.427 15.924 -2.127 1.00 0.93 N ATOM 1016 CA LYS A 26 -7.796 14.962 -3.027 1.00 0.87 C ATOM 1017 C LYS A 26 -6.968 13.947 -2.246 1.00 0.82 C ATOM 1018 O LYS A 26 -6.284 13.107 -2.836 1.00 0.88 O ATOM 1019 CB LYS A 26 -6.905 15.656 -4.065 1.00 1.07 C ATOM 1020 CG LYS A 26 -7.637 16.612 -5.010 1.00 1.37 C ATOM 1021 CD LYS A 26 -7.986 17.940 -4.348 1.00 1.56 C ATOM 1022 CE LYS A 26 -6.742 18.744 -4.005 1.00 1.77 C ATOM 1023 NZ LYS A 26 -7.000 19.725 -2.919 1.00 2.57 N ATOM 0 H LYS A 26 -7.948 16.822 -2.058 1.00 0.93 H new ATOM 0 HA LYS A 26 -8.599 14.445 -3.551 1.00 0.87 H new ATOM 0 HB2 LYS A 26 -6.128 16.212 -3.541 1.00 1.07 H new ATOM 0 HB3 LYS A 26 -6.405 14.893 -4.661 1.00 1.07 H new ATOM 0 HG2 LYS A 26 -7.014 16.799 -5.885 1.00 1.37 H new ATOM 0 HG3 LYS A 26 -8.551 16.136 -5.365 1.00 1.37 H new ATOM 0 HD2 LYS A 26 -8.623 18.522 -5.014 1.00 1.56 H new ATOM 0 HD3 LYS A 26 -8.560 17.754 -3.440 1.00 1.56 H new ATOM 0 HE2 LYS A 26 -5.944 18.067 -3.701 1.00 1.77 H new ATOM 0 HE3 LYS A 26 -6.392 19.269 -4.894 1.00 1.77 H new ATOM 0 HZ1 LYS A 26 -6.242 20.437 -2.907 1.00 2.57 H new ATOM 0 HZ2 LYS A 26 -7.913 20.194 -3.085 1.00 2.57 H new ATOM 0 HZ3 LYS A 26 -7.025 19.231 -2.004 1.00 2.57 H new ATOM 1037 N PHE A 27 -7.024 14.042 -0.925 1.00 0.78 N ATOM 1038 CA PHE A 27 -6.362 13.085 -0.051 1.00 0.78 C ATOM 1039 C PHE A 27 -7.337 12.574 1.003 1.00 0.69 C ATOM 1040 O PHE A 27 -6.945 11.899 1.955 1.00 0.68 O ATOM 1041 CB PHE A 27 -5.128 13.710 0.618 1.00 0.98 C ATOM 1042 CG PHE A 27 -5.415 14.933 1.450 1.00 0.66 C ATOM 1043 CD1 PHE A 27 -5.922 14.815 2.736 1.00 1.53 C ATOM 1044 CD2 PHE A 27 -5.160 16.199 0.949 1.00 1.57 C ATOM 1045 CE1 PHE A 27 -6.172 15.937 3.503 1.00 2.32 C ATOM 1046 CE2 PHE A 27 -5.411 17.324 1.711 1.00 2.34 C ATOM 1047 CZ PHE A 27 -5.917 17.193 2.990 1.00 2.54 C ATOM 0 H PHE A 27 -7.526 14.780 -0.432 1.00 0.78 H new ATOM 0 HA PHE A 27 -6.026 12.244 -0.658 1.00 0.78 H new ATOM 0 HB2 PHE A 27 -4.655 12.959 1.251 1.00 0.98 H new ATOM 0 HB3 PHE A 27 -4.407 13.974 -0.155 1.00 0.98 H new ATOM 0 HD1 PHE A 27 -6.124 13.835 3.142 1.00 1.53 H new ATOM 0 HD2 PHE A 27 -4.760 16.308 -0.048 1.00 1.57 H new ATOM 0 HE1 PHE A 27 -6.566 15.831 4.503 1.00 2.32 H new ATOM 0 HE2 PHE A 27 -5.212 18.306 1.307 1.00 2.34 H new ATOM 0 HZ PHE A 27 -6.113 18.071 3.587 1.00 2.54 H new ATOM 1057 N LYS A 28 -8.611 12.890 0.827 1.00 0.67 N ATOM 1058 CA LYS A 28 -9.619 12.553 1.820 1.00 0.64 C ATOM 1059 C LYS A 28 -10.810 11.882 1.163 1.00 0.48 C ATOM 1060 O LYS A 28 -11.480 12.469 0.319 1.00 0.54 O ATOM 1061 CB LYS A 28 -10.080 13.823 2.544 1.00 0.87 C ATOM 1062 CG LYS A 28 -11.008 13.563 3.717 1.00 1.00 C ATOM 1063 CD LYS A 28 -10.231 13.130 4.943 1.00 1.04 C ATOM 1064 CE LYS A 28 -9.467 14.300 5.556 1.00 1.55 C ATOM 1065 NZ LYS A 28 -8.891 13.965 6.886 1.00 2.03 N ATOM 0 H LYS A 28 -8.971 13.379 0.007 1.00 0.67 H new ATOM 0 HA LYS A 28 -9.180 11.862 2.540 1.00 0.64 H new ATOM 0 HB2 LYS A 28 -9.203 14.364 2.900 1.00 0.87 H new ATOM 0 HB3 LYS A 28 -10.587 14.472 1.830 1.00 0.87 H new ATOM 0 HG2 LYS A 28 -11.575 14.466 3.943 1.00 1.00 H new ATOM 0 HG3 LYS A 28 -11.730 12.792 3.449 1.00 1.00 H new ATOM 0 HD2 LYS A 28 -10.916 12.713 5.682 1.00 1.04 H new ATOM 0 HD3 LYS A 28 -9.532 12.338 4.673 1.00 1.04 H new ATOM 0 HE2 LYS A 28 -8.666 14.601 4.881 1.00 1.55 H new ATOM 0 HE3 LYS A 28 -10.136 15.154 5.657 1.00 1.55 H new ATOM 0 HZ1 LYS A 28 -9.117 14.721 7.563 1.00 2.03 H new ATOM 0 HZ2 LYS A 28 -9.294 13.067 7.223 1.00 2.03 H new ATOM 0 HZ3 LYS A 28 -7.858 13.872 6.804 1.00 2.03 H new ATOM 1079 N LEU A 29 -11.082 10.655 1.568 1.00 0.36 N ATOM 1080 CA LEU A 29 -12.168 9.895 0.971 1.00 0.32 C ATOM 1081 C LEU A 29 -13.251 9.575 1.989 1.00 0.34 C ATOM 1082 O LEU A 29 -13.027 8.822 2.935 1.00 0.40 O ATOM 1083 CB LEU A 29 -11.657 8.589 0.357 1.00 0.30 C ATOM 1084 CG LEU A 29 -10.656 8.743 -0.789 1.00 0.30 C ATOM 1085 CD1 LEU A 29 -9.231 8.848 -0.260 1.00 0.32 C ATOM 1086 CD2 LEU A 29 -10.791 7.589 -1.766 1.00 0.33 C ATOM 0 H LEU A 29 -10.571 10.165 2.302 1.00 0.36 H new ATOM 0 HA LEU A 29 -12.594 10.520 0.186 1.00 0.32 H new ATOM 0 HB2 LEU A 29 -11.192 7.996 1.144 1.00 0.30 H new ATOM 0 HB3 LEU A 29 -12.513 8.020 -0.006 1.00 0.30 H new ATOM 0 HG LEU A 29 -10.880 9.669 -1.319 1.00 0.30 H new ATOM 0 HD11 LEU A 29 -8.540 8.957 -1.096 1.00 0.32 H new ATOM 0 HD12 LEU A 29 -9.149 9.716 0.394 1.00 0.32 H new ATOM 0 HD13 LEU A 29 -8.984 7.947 0.301 1.00 0.32 H new ATOM 0 HD21 LEU A 29 -10.072 7.712 -2.576 1.00 0.33 H new ATOM 0 HD22 LEU A 29 -10.597 6.650 -1.248 1.00 0.33 H new ATOM 0 HD23 LEU A 29 -11.801 7.575 -2.176 1.00 0.33 H new ATOM 1098 N ASN A 30 -14.423 10.157 1.797 1.00 0.35 N ATOM 1099 CA ASN A 30 -15.590 9.766 2.572 1.00 0.35 C ATOM 1100 C ASN A 30 -16.199 8.513 1.945 1.00 0.31 C ATOM 1101 O ASN A 30 -15.626 7.955 1.002 1.00 0.29 O ATOM 1102 CB ASN A 30 -16.624 10.902 2.631 1.00 0.41 C ATOM 1103 CG ASN A 30 -17.326 11.133 1.307 1.00 0.62 C ATOM 1104 OD1 ASN A 30 -18.381 10.558 1.042 1.00 1.20 O ATOM 1105 ND2 ASN A 30 -16.760 11.991 0.478 1.00 0.63 N ATOM 0 H ASN A 30 -14.592 10.897 1.116 1.00 0.35 H new ATOM 0 HA ASN A 30 -15.285 9.553 3.597 1.00 0.35 H new ATOM 0 HB2 ASN A 30 -17.367 10.671 3.394 1.00 0.41 H new ATOM 0 HB3 ASN A 30 -16.127 11.822 2.938 1.00 0.41 H new ATOM 0 HD21 ASN A 30 -17.198 12.198 -0.420 1.00 0.63 H new ATOM 0 HD22 ASN A 30 -15.885 12.447 0.735 1.00 0.63 H new ATOM 1112 N LYS A 31 -17.343 8.075 2.458 1.00 0.32 N ATOM 1113 CA LYS A 31 -18.000 6.860 1.965 1.00 0.31 C ATOM 1114 C LYS A 31 -18.178 6.872 0.443 1.00 0.30 C ATOM 1115 O LYS A 31 -17.906 5.876 -0.226 1.00 0.31 O ATOM 1116 CB LYS A 31 -19.365 6.680 2.636 1.00 0.35 C ATOM 1117 CG LYS A 31 -19.281 6.422 4.131 1.00 0.45 C ATOM 1118 CD LYS A 31 -20.659 6.230 4.745 1.00 0.56 C ATOM 1119 CE LYS A 31 -20.563 5.909 6.228 1.00 1.22 C ATOM 1120 NZ LYS A 31 -21.901 5.796 6.865 1.00 1.70 N ATOM 0 H LYS A 31 -17.840 8.541 3.217 1.00 0.32 H new ATOM 0 HA LYS A 31 -17.349 6.024 2.220 1.00 0.31 H new ATOM 0 HB2 LYS A 31 -19.965 7.573 2.464 1.00 0.35 H new ATOM 0 HB3 LYS A 31 -19.887 5.849 2.161 1.00 0.35 H new ATOM 0 HG2 LYS A 31 -18.674 5.535 4.314 1.00 0.45 H new ATOM 0 HG3 LYS A 31 -18.779 7.258 4.617 1.00 0.45 H new ATOM 0 HD2 LYS A 31 -21.251 7.134 4.604 1.00 0.56 H new ATOM 0 HD3 LYS A 31 -21.180 5.424 4.229 1.00 0.56 H new ATOM 0 HE2 LYS A 31 -20.019 4.974 6.361 1.00 1.22 H new ATOM 0 HE3 LYS A 31 -19.988 6.687 6.730 1.00 1.22 H new ATOM 0 HZ1 LYS A 31 -21.787 5.576 7.875 1.00 1.70 H new ATOM 0 HZ2 LYS A 31 -22.412 6.696 6.762 1.00 1.70 H new ATOM 0 HZ3 LYS A 31 -22.442 5.036 6.404 1.00 1.70 H new ATOM 1134 N SER A 32 -18.608 8.005 -0.094 1.00 0.32 N ATOM 1135 CA SER A 32 -18.907 8.128 -1.519 1.00 0.34 C ATOM 1136 C SER A 32 -17.654 7.931 -2.374 1.00 0.31 C ATOM 1137 O SER A 32 -17.689 7.214 -3.381 1.00 0.34 O ATOM 1138 CB SER A 32 -19.517 9.508 -1.789 1.00 0.43 C ATOM 1139 OG SER A 32 -19.929 9.654 -3.139 1.00 1.29 O ATOM 0 H SER A 32 -18.760 8.861 0.439 1.00 0.32 H new ATOM 0 HA SER A 32 -19.617 7.348 -1.792 1.00 0.34 H new ATOM 0 HB2 SER A 32 -20.372 9.661 -1.131 1.00 0.43 H new ATOM 0 HB3 SER A 32 -18.787 10.280 -1.548 1.00 0.43 H new ATOM 0 HG SER A 32 -19.873 10.598 -3.398 1.00 1.29 H new ATOM 1145 N GLU A 33 -16.547 8.541 -1.963 1.00 0.30 N ATOM 1146 CA GLU A 33 -15.328 8.529 -2.763 1.00 0.31 C ATOM 1147 C GLU A 33 -14.787 7.112 -2.864 1.00 0.26 C ATOM 1148 O GLU A 33 -14.473 6.627 -3.953 1.00 0.27 O ATOM 1149 CB GLU A 33 -14.249 9.429 -2.146 1.00 0.37 C ATOM 1150 CG GLU A 33 -14.756 10.731 -1.531 1.00 0.51 C ATOM 1151 CD GLU A 33 -15.615 11.572 -2.458 1.00 0.88 C ATOM 1152 OE1 GLU A 33 -15.060 12.418 -3.191 1.00 1.68 O ATOM 1153 OE2 GLU A 33 -16.854 11.419 -2.418 1.00 1.46 O ATOM 0 H GLU A 33 -16.469 9.049 -1.082 1.00 0.30 H new ATOM 0 HA GLU A 33 -15.578 8.907 -3.754 1.00 0.31 H new ATOM 0 HB2 GLU A 33 -13.725 8.863 -1.376 1.00 0.37 H new ATOM 0 HB3 GLU A 33 -13.518 9.672 -2.917 1.00 0.37 H new ATOM 0 HG2 GLU A 33 -15.332 10.495 -0.636 1.00 0.51 H new ATOM 0 HG3 GLU A 33 -13.900 11.325 -1.211 1.00 0.51 H new ATOM 1160 N LEU A 34 -14.684 6.450 -1.715 1.00 0.23 N ATOM 1161 CA LEU A 34 -14.200 5.081 -1.661 1.00 0.20 C ATOM 1162 C LEU A 34 -15.112 4.155 -2.440 1.00 0.20 C ATOM 1163 O LEU A 34 -14.642 3.275 -3.157 1.00 0.23 O ATOM 1164 CB LEU A 34 -14.104 4.597 -0.221 1.00 0.18 C ATOM 1165 CG LEU A 34 -12.901 5.100 0.557 1.00 0.18 C ATOM 1166 CD1 LEU A 34 -13.046 4.717 2.012 1.00 0.21 C ATOM 1167 CD2 LEU A 34 -11.619 4.529 -0.023 1.00 0.18 C ATOM 0 H LEU A 34 -14.931 6.845 -0.807 1.00 0.23 H new ATOM 0 HA LEU A 34 -13.207 5.066 -2.111 1.00 0.20 H new ATOM 0 HB2 LEU A 34 -15.009 4.899 0.307 1.00 0.18 H new ATOM 0 HB3 LEU A 34 -14.084 3.507 -0.223 1.00 0.18 H new ATOM 0 HG LEU A 34 -12.851 6.186 0.480 1.00 0.18 H new ATOM 0 HD11 LEU A 34 -12.183 5.078 2.571 1.00 0.21 H new ATOM 0 HD12 LEU A 34 -13.954 5.164 2.417 1.00 0.21 H new ATOM 0 HD13 LEU A 34 -13.107 3.632 2.098 1.00 0.21 H new ATOM 0 HD21 LEU A 34 -10.766 4.899 0.546 1.00 0.18 H new ATOM 0 HD22 LEU A 34 -11.648 3.441 0.033 1.00 0.18 H new ATOM 0 HD23 LEU A 34 -11.522 4.837 -1.064 1.00 0.18 H new ATOM 1179 N LYS A 35 -16.415 4.363 -2.299 1.00 0.23 N ATOM 1180 CA LYS A 35 -17.396 3.560 -2.973 1.00 0.29 C ATOM 1181 C LYS A 35 -17.123 3.529 -4.470 1.00 0.25 C ATOM 1182 O LYS A 35 -16.968 2.459 -5.053 1.00 0.27 O ATOM 1183 CB LYS A 35 -18.773 4.130 -2.679 1.00 0.42 C ATOM 1184 CG LYS A 35 -19.905 3.219 -3.063 1.00 0.60 C ATOM 1185 CD LYS A 35 -21.228 3.811 -2.639 1.00 0.71 C ATOM 1186 CE LYS A 35 -22.356 2.943 -3.106 1.00 0.53 C ATOM 1187 NZ LYS A 35 -22.508 1.728 -2.268 1.00 0.89 N ATOM 0 H LYS A 35 -16.810 5.097 -1.711 1.00 0.23 H new ATOM 0 HA LYS A 35 -17.347 2.532 -2.613 1.00 0.29 H new ATOM 0 HB2 LYS A 35 -18.844 4.352 -1.614 1.00 0.42 H new ATOM 0 HB3 LYS A 35 -18.885 5.076 -3.210 1.00 0.42 H new ATOM 0 HG2 LYS A 35 -19.901 3.059 -4.141 1.00 0.60 H new ATOM 0 HG3 LYS A 35 -19.770 2.244 -2.595 1.00 0.60 H new ATOM 0 HD2 LYS A 35 -21.260 3.909 -1.554 1.00 0.71 H new ATOM 0 HD3 LYS A 35 -21.335 4.814 -3.053 1.00 0.71 H new ATOM 0 HE2 LYS A 35 -23.284 3.514 -3.088 1.00 0.53 H new ATOM 0 HE3 LYS A 35 -22.183 2.650 -4.141 1.00 0.53 H new ATOM 0 HZ1 LYS A 35 -23.516 1.486 -2.188 1.00 0.89 H new ATOM 0 HZ2 LYS A 35 -21.996 0.937 -2.707 1.00 0.89 H new ATOM 0 HZ3 LYS A 35 -22.119 1.909 -1.321 1.00 0.89 H new ATOM 1201 N GLU A 36 -17.023 4.699 -5.084 1.00 0.25 N ATOM 1202 CA GLU A 36 -16.727 4.778 -6.508 1.00 0.28 C ATOM 1203 C GLU A 36 -15.356 4.202 -6.824 1.00 0.28 C ATOM 1204 O GLU A 36 -15.196 3.466 -7.791 1.00 0.34 O ATOM 1205 CB GLU A 36 -16.811 6.214 -7.002 1.00 0.32 C ATOM 1206 CG GLU A 36 -18.175 6.568 -7.545 1.00 0.66 C ATOM 1207 CD GLU A 36 -18.254 7.983 -8.060 1.00 0.77 C ATOM 1208 OE1 GLU A 36 -17.666 8.264 -9.126 1.00 1.28 O ATOM 1209 OE2 GLU A 36 -18.930 8.815 -7.422 1.00 1.49 O ATOM 0 H GLU A 36 -17.141 5.601 -4.623 1.00 0.25 H new ATOM 0 HA GLU A 36 -17.478 4.182 -7.027 1.00 0.28 H new ATOM 0 HB2 GLU A 36 -16.564 6.890 -6.183 1.00 0.32 H new ATOM 0 HB3 GLU A 36 -16.064 6.370 -7.780 1.00 0.32 H new ATOM 0 HG2 GLU A 36 -18.430 5.879 -8.350 1.00 0.66 H new ATOM 0 HG3 GLU A 36 -18.919 6.430 -6.761 1.00 0.66 H new ATOM 1216 N LEU A 37 -14.380 4.528 -5.996 1.00 0.25 N ATOM 1217 CA LEU A 37 -13.017 4.052 -6.188 1.00 0.27 C ATOM 1218 C LEU A 37 -12.989 2.527 -6.269 1.00 0.23 C ATOM 1219 O LEU A 37 -12.482 1.956 -7.237 1.00 0.24 O ATOM 1220 CB LEU A 37 -12.142 4.556 -5.039 1.00 0.32 C ATOM 1221 CG LEU A 37 -10.638 4.522 -5.292 1.00 0.40 C ATOM 1222 CD1 LEU A 37 -9.975 5.721 -4.634 1.00 0.33 C ATOM 1223 CD2 LEU A 37 -10.035 3.232 -4.764 1.00 0.74 C ATOM 0 H LEU A 37 -14.505 5.124 -5.178 1.00 0.25 H new ATOM 0 HA LEU A 37 -12.625 4.440 -7.128 1.00 0.27 H new ATOM 0 HB2 LEU A 37 -12.431 5.582 -4.809 1.00 0.32 H new ATOM 0 HB3 LEU A 37 -12.357 3.958 -4.153 1.00 0.32 H new ATOM 0 HG LEU A 37 -10.465 4.565 -6.367 1.00 0.40 H new ATOM 0 HD11 LEU A 37 -8.901 5.690 -4.819 1.00 0.33 H new ATOM 0 HD12 LEU A 37 -10.389 6.639 -5.051 1.00 0.33 H new ATOM 0 HD13 LEU A 37 -10.159 5.695 -3.560 1.00 0.33 H new ATOM 0 HD21 LEU A 37 -8.962 3.227 -4.954 1.00 0.74 H new ATOM 0 HD22 LEU A 37 -10.214 3.159 -3.691 1.00 0.74 H new ATOM 0 HD23 LEU A 37 -10.496 2.382 -5.267 1.00 0.74 H new ATOM 1235 N LEU A 38 -13.569 1.879 -5.270 1.00 0.20 N ATOM 1236 CA LEU A 38 -13.594 0.425 -5.214 1.00 0.20 C ATOM 1237 C LEU A 38 -14.486 -0.169 -6.304 1.00 0.22 C ATOM 1238 O LEU A 38 -14.133 -1.162 -6.922 1.00 0.24 O ATOM 1239 CB LEU A 38 -14.055 -0.049 -3.835 1.00 0.19 C ATOM 1240 CG LEU A 38 -12.985 -0.004 -2.740 1.00 0.18 C ATOM 1241 CD1 LEU A 38 -13.446 0.857 -1.580 1.00 0.19 C ATOM 1242 CD2 LEU A 38 -12.663 -1.410 -2.253 1.00 0.21 C ATOM 0 H LEU A 38 -14.030 2.339 -4.485 1.00 0.20 H new ATOM 0 HA LEU A 38 -12.578 0.073 -5.390 1.00 0.20 H new ATOM 0 HB2 LEU A 38 -14.900 0.564 -3.521 1.00 0.19 H new ATOM 0 HB3 LEU A 38 -14.419 -1.072 -3.923 1.00 0.19 H new ATOM 0 HG LEU A 38 -12.082 0.436 -3.162 1.00 0.18 H new ATOM 0 HD11 LEU A 38 -12.673 0.877 -0.812 1.00 0.19 H new ATOM 0 HD12 LEU A 38 -13.634 1.871 -1.932 1.00 0.19 H new ATOM 0 HD13 LEU A 38 -14.363 0.442 -1.161 1.00 0.19 H new ATOM 0 HD21 LEU A 38 -11.901 -1.360 -1.475 1.00 0.21 H new ATOM 0 HD22 LEU A 38 -13.565 -1.870 -1.849 1.00 0.21 H new ATOM 0 HD23 LEU A 38 -12.293 -2.008 -3.086 1.00 0.21 H new ATOM 1254 N THR A 39 -15.633 0.447 -6.550 1.00 0.23 N ATOM 1255 CA THR A 39 -16.588 -0.094 -7.526 1.00 0.26 C ATOM 1256 C THR A 39 -16.014 -0.088 -8.937 1.00 0.27 C ATOM 1257 O THR A 39 -16.351 -0.940 -9.762 1.00 0.30 O ATOM 1258 CB THR A 39 -17.925 0.680 -7.534 1.00 0.29 C ATOM 1259 OG1 THR A 39 -17.690 2.088 -7.654 1.00 0.33 O ATOM 1260 CG2 THR A 39 -18.728 0.406 -6.275 1.00 0.30 C ATOM 0 H THR A 39 -15.929 1.312 -6.097 1.00 0.23 H new ATOM 0 HA THR A 39 -16.778 -1.120 -7.212 1.00 0.26 H new ATOM 0 HB THR A 39 -18.499 0.335 -8.394 1.00 0.29 H new ATOM 0 HG1 THR A 39 -16.733 2.250 -7.787 1.00 0.33 H new ATOM 0 HG21 THR A 39 -19.663 0.965 -6.311 1.00 0.30 H new ATOM 0 HG22 THR A 39 -18.945 -0.660 -6.207 1.00 0.30 H new ATOM 0 HG23 THR A 39 -18.153 0.716 -5.402 1.00 0.30 H new ATOM 1268 N ARG A 40 -15.147 0.872 -9.211 1.00 0.27 N ATOM 1269 CA ARG A 40 -14.600 1.039 -10.545 1.00 0.30 C ATOM 1270 C ARG A 40 -13.316 0.236 -10.732 1.00 0.29 C ATOM 1271 O ARG A 40 -13.253 -0.647 -11.589 1.00 0.33 O ATOM 1272 CB ARG A 40 -14.348 2.518 -10.824 1.00 0.34 C ATOM 1273 CG ARG A 40 -15.614 3.363 -10.795 1.00 0.36 C ATOM 1274 CD ARG A 40 -16.601 2.935 -11.867 1.00 0.47 C ATOM 1275 NE ARG A 40 -16.103 3.214 -13.211 1.00 0.67 N ATOM 1276 CZ ARG A 40 -16.319 2.436 -14.269 1.00 0.90 C ATOM 1277 NH1 ARG A 40 -16.996 1.302 -14.140 1.00 1.24 N ATOM 1278 NH2 ARG A 40 -15.843 2.785 -15.453 1.00 1.09 N ATOM 0 H ARG A 40 -14.807 1.548 -8.526 1.00 0.27 H new ATOM 0 HA ARG A 40 -15.331 0.658 -11.258 1.00 0.30 H new ATOM 0 HB2 ARG A 40 -13.645 2.905 -10.086 1.00 0.34 H new ATOM 0 HB3 ARG A 40 -13.874 2.620 -11.800 1.00 0.34 H new ATOM 0 HG2 ARG A 40 -16.084 3.281 -9.815 1.00 0.36 H new ATOM 0 HG3 ARG A 40 -15.354 4.412 -10.937 1.00 0.36 H new ATOM 0 HD2 ARG A 40 -16.803 1.868 -11.769 1.00 0.47 H new ATOM 0 HD3 ARG A 40 -17.548 3.454 -11.716 1.00 0.47 H new ATOM 0 HE ARG A 40 -15.553 4.062 -13.348 1.00 0.67 H new ATOM 0 HH11 ARG A 40 -17.354 1.023 -13.227 1.00 1.24 H new ATOM 0 HH12 ARG A 40 -17.159 0.710 -14.954 1.00 1.24 H new ATOM 0 HH21 ARG A 40 -15.311 3.649 -15.554 1.00 1.09 H new ATOM 0 HH22 ARG A 40 -16.008 2.190 -16.265 1.00 1.09 H new ATOM 1292 N GLU A 41 -12.302 0.524 -9.924 1.00 0.29 N ATOM 1293 CA GLU A 41 -10.993 -0.086 -10.120 1.00 0.32 C ATOM 1294 C GLU A 41 -10.735 -1.279 -9.201 1.00 0.35 C ATOM 1295 O GLU A 41 -9.749 -1.985 -9.379 1.00 0.46 O ATOM 1296 CB GLU A 41 -9.879 0.945 -9.965 1.00 0.38 C ATOM 1297 CG GLU A 41 -9.477 1.595 -11.276 1.00 0.47 C ATOM 1298 CD GLU A 41 -9.956 3.027 -11.415 1.00 0.83 C ATOM 1299 OE1 GLU A 41 -11.166 3.282 -11.234 1.00 1.54 O ATOM 1300 OE2 GLU A 41 -9.123 3.898 -11.742 1.00 1.60 O ATOM 0 H GLU A 41 -12.360 1.169 -9.136 1.00 0.29 H new ATOM 0 HA GLU A 41 -10.994 -0.468 -11.141 1.00 0.32 H new ATOM 0 HB2 GLU A 41 -10.203 1.718 -9.268 1.00 0.38 H new ATOM 0 HB3 GLU A 41 -9.006 0.464 -9.523 1.00 0.38 H new ATOM 0 HG2 GLU A 41 -8.391 1.574 -11.364 1.00 0.47 H new ATOM 0 HG3 GLU A 41 -9.876 1.005 -12.102 1.00 0.47 H new ATOM 1307 N LEU A 42 -11.601 -1.519 -8.224 1.00 0.28 N ATOM 1308 CA LEU A 42 -11.429 -2.686 -7.354 1.00 0.29 C ATOM 1309 C LEU A 42 -12.683 -3.571 -7.344 1.00 0.28 C ATOM 1310 O LEU A 42 -13.095 -4.032 -6.280 1.00 0.26 O ATOM 1311 CB LEU A 42 -11.112 -2.267 -5.905 1.00 0.27 C ATOM 1312 CG LEU A 42 -9.893 -1.368 -5.702 1.00 0.27 C ATOM 1313 CD1 LEU A 42 -10.210 0.069 -6.086 1.00 0.27 C ATOM 1314 CD2 LEU A 42 -9.422 -1.445 -4.260 1.00 0.31 C ATOM 0 H LEU A 42 -12.413 -0.939 -8.013 1.00 0.28 H new ATOM 0 HA LEU A 42 -10.590 -3.252 -7.760 1.00 0.29 H new ATOM 0 HB2 LEU A 42 -11.984 -1.754 -5.501 1.00 0.27 H new ATOM 0 HB3 LEU A 42 -10.971 -3.171 -5.312 1.00 0.27 H new ATOM 0 HG LEU A 42 -9.092 -1.720 -6.351 1.00 0.27 H new ATOM 0 HD11 LEU A 42 -9.327 0.690 -5.933 1.00 0.27 H new ATOM 0 HD12 LEU A 42 -10.504 0.109 -7.135 1.00 0.27 H new ATOM 0 HD13 LEU A 42 -11.026 0.440 -5.466 1.00 0.27 H new ATOM 0 HD21 LEU A 42 -8.553 -0.801 -4.126 1.00 0.31 H new ATOM 0 HD22 LEU A 42 -10.223 -1.116 -3.598 1.00 0.31 H new ATOM 0 HD23 LEU A 42 -9.152 -2.473 -4.020 1.00 0.31 H new ATOM 1326 N PRO A 43 -13.290 -3.879 -8.514 1.00 0.32 N ATOM 1327 CA PRO A 43 -14.567 -4.594 -8.548 1.00 0.34 C ATOM 1328 C PRO A 43 -14.409 -6.048 -8.121 1.00 0.35 C ATOM 1329 O PRO A 43 -15.357 -6.688 -7.663 1.00 0.38 O ATOM 1330 CB PRO A 43 -15.002 -4.494 -10.009 1.00 0.43 C ATOM 1331 CG PRO A 43 -13.738 -4.327 -10.779 1.00 0.52 C ATOM 1332 CD PRO A 43 -12.776 -3.606 -9.872 1.00 0.36 C ATOM 0 HA PRO A 43 -15.297 -4.171 -7.858 1.00 0.34 H new ATOM 0 HB2 PRO A 43 -15.539 -5.389 -10.323 1.00 0.43 H new ATOM 0 HB3 PRO A 43 -15.673 -3.649 -10.164 1.00 0.43 H new ATOM 0 HG2 PRO A 43 -13.336 -5.295 -11.080 1.00 0.52 H new ATOM 0 HG3 PRO A 43 -13.912 -3.757 -11.691 1.00 0.52 H new ATOM 0 HD2 PRO A 43 -11.758 -3.976 -9.995 1.00 0.36 H new ATOM 0 HD3 PRO A 43 -12.754 -2.537 -10.083 1.00 0.36 H new ATOM 1340 N SER A 44 -13.194 -6.559 -8.261 1.00 0.37 N ATOM 1341 CA SER A 44 -12.878 -7.905 -7.831 1.00 0.41 C ATOM 1342 C SER A 44 -12.781 -7.954 -6.309 1.00 0.37 C ATOM 1343 O SER A 44 -13.061 -8.979 -5.691 1.00 0.42 O ATOM 1344 CB SER A 44 -11.562 -8.359 -8.465 1.00 0.48 C ATOM 1345 OG SER A 44 -11.566 -8.126 -9.865 1.00 1.09 O ATOM 0 H SER A 44 -12.409 -6.054 -8.672 1.00 0.37 H new ATOM 0 HA SER A 44 -13.671 -8.580 -8.152 1.00 0.41 H new ATOM 0 HB2 SER A 44 -10.730 -7.825 -8.006 1.00 0.48 H new ATOM 0 HB3 SER A 44 -11.407 -9.420 -8.270 1.00 0.48 H new ATOM 0 HG SER A 44 -10.714 -8.422 -10.248 1.00 1.09 H new ATOM 1351 N PHE A 45 -12.426 -6.815 -5.715 1.00 0.33 N ATOM 1352 CA PHE A 45 -12.261 -6.709 -4.268 1.00 0.34 C ATOM 1353 C PHE A 45 -13.554 -6.249 -3.614 1.00 0.36 C ATOM 1354 O PHE A 45 -13.575 -5.880 -2.442 1.00 0.40 O ATOM 1355 CB PHE A 45 -11.129 -5.736 -3.927 1.00 0.33 C ATOM 1356 CG PHE A 45 -9.806 -6.142 -4.509 1.00 0.35 C ATOM 1357 CD1 PHE A 45 -9.048 -7.132 -3.907 1.00 1.17 C ATOM 1358 CD2 PHE A 45 -9.325 -5.540 -5.659 1.00 1.31 C ATOM 1359 CE1 PHE A 45 -7.834 -7.514 -4.440 1.00 1.15 C ATOM 1360 CE2 PHE A 45 -8.112 -5.919 -6.199 1.00 1.36 C ATOM 1361 CZ PHE A 45 -7.366 -6.908 -5.590 1.00 0.46 C ATOM 0 H PHE A 45 -12.246 -5.947 -6.220 1.00 0.33 H new ATOM 0 HA PHE A 45 -12.005 -7.696 -3.882 1.00 0.34 H new ATOM 0 HB2 PHE A 45 -11.390 -4.743 -4.292 1.00 0.33 H new ATOM 0 HB3 PHE A 45 -11.035 -5.663 -2.844 1.00 0.33 H new ATOM 0 HD1 PHE A 45 -9.411 -7.611 -3.010 1.00 1.17 H new ATOM 0 HD2 PHE A 45 -9.905 -4.766 -6.139 1.00 1.31 H new ATOM 0 HE1 PHE A 45 -7.251 -8.285 -3.959 1.00 1.15 H new ATOM 0 HE2 PHE A 45 -7.747 -5.442 -7.097 1.00 1.36 H new ATOM 0 HZ PHE A 45 -6.418 -7.208 -6.012 1.00 0.46 H new ATOM 1371 N LEU A 46 -14.627 -6.239 -4.391 1.00 0.36 N ATOM 1372 CA LEU A 46 -15.939 -5.923 -3.859 1.00 0.40 C ATOM 1373 C LEU A 46 -16.890 -7.098 -3.998 1.00 0.55 C ATOM 1374 O LEU A 46 -18.027 -7.040 -3.523 1.00 0.70 O ATOM 1375 CB LEU A 46 -16.532 -4.717 -4.563 1.00 0.35 C ATOM 1376 CG LEU A 46 -15.810 -3.400 -4.333 1.00 0.32 C ATOM 1377 CD1 LEU A 46 -16.624 -2.266 -4.920 1.00 0.34 C ATOM 1378 CD2 LEU A 46 -15.567 -3.174 -2.850 1.00 0.30 C ATOM 0 H LEU A 46 -14.613 -6.446 -5.390 1.00 0.36 H new ATOM 0 HA LEU A 46 -15.809 -5.697 -2.801 1.00 0.40 H new ATOM 0 HB2 LEU A 46 -16.551 -4.918 -5.634 1.00 0.35 H new ATOM 0 HB3 LEU A 46 -17.567 -4.604 -4.241 1.00 0.35 H new ATOM 0 HG LEU A 46 -14.840 -3.435 -4.830 1.00 0.32 H new ATOM 0 HD11 LEU A 46 -16.105 -1.322 -4.754 1.00 0.34 H new ATOM 0 HD12 LEU A 46 -16.753 -2.426 -5.990 1.00 0.34 H new ATOM 0 HD13 LEU A 46 -17.601 -2.232 -4.438 1.00 0.34 H new ATOM 0 HD21 LEU A 46 -15.049 -2.226 -2.707 1.00 0.30 H new ATOM 0 HD22 LEU A 46 -16.522 -3.149 -2.325 1.00 0.30 H new ATOM 0 HD23 LEU A 46 -14.956 -3.985 -2.454 1.00 0.30 H new ATOM 1390 N GLY A 47 -16.440 -8.142 -4.686 1.00 0.64 N ATOM 1391 CA GLY A 47 -17.216 -9.366 -4.805 1.00 0.82 C ATOM 1392 C GLY A 47 -18.579 -9.165 -5.439 1.00 0.87 C ATOM 1393 O GLY A 47 -19.489 -9.964 -5.210 1.00 1.23 O ATOM 0 H GLY A 47 -15.542 -8.163 -5.169 1.00 0.64 H new ATOM 0 HA2 GLY A 47 -16.652 -10.087 -5.397 1.00 0.82 H new ATOM 0 HA3 GLY A 47 -17.347 -9.801 -3.814 1.00 0.82 H new ATOM 1397 N LYS A 48 -18.719 -8.086 -6.216 1.00 0.79 N ATOM 1398 CA LYS A 48 -19.958 -7.768 -6.939 1.00 0.95 C ATOM 1399 C LYS A 48 -21.054 -7.254 -5.998 1.00 0.73 C ATOM 1400 O LYS A 48 -21.629 -6.188 -6.219 1.00 0.97 O ATOM 1401 CB LYS A 48 -20.462 -8.988 -7.721 1.00 1.43 C ATOM 1402 CG LYS A 48 -21.567 -8.663 -8.710 1.00 2.17 C ATOM 1403 CD LYS A 48 -21.080 -7.671 -9.747 1.00 2.32 C ATOM 1404 CE LYS A 48 -22.112 -7.433 -10.834 1.00 2.88 C ATOM 1405 NZ LYS A 48 -21.614 -6.488 -11.866 1.00 3.51 N ATOM 0 H LYS A 48 -17.974 -7.405 -6.363 1.00 0.79 H new ATOM 0 HA LYS A 48 -19.722 -6.970 -7.643 1.00 0.95 H new ATOM 0 HB2 LYS A 48 -19.626 -9.436 -8.258 1.00 1.43 H new ATOM 0 HB3 LYS A 48 -20.825 -9.736 -7.016 1.00 1.43 H new ATOM 0 HG2 LYS A 48 -21.902 -9.576 -9.202 1.00 2.17 H new ATOM 0 HG3 LYS A 48 -22.427 -8.252 -8.181 1.00 2.17 H new ATOM 0 HD2 LYS A 48 -20.841 -6.725 -9.260 1.00 2.32 H new ATOM 0 HD3 LYS A 48 -20.158 -8.040 -10.197 1.00 2.32 H new ATOM 0 HE2 LYS A 48 -22.371 -8.382 -11.304 1.00 2.88 H new ATOM 0 HE3 LYS A 48 -23.025 -7.038 -10.389 1.00 2.88 H new ATOM 0 HZ1 LYS A 48 -22.346 -6.350 -12.592 1.00 3.51 H new ATOM 0 HZ2 LYS A 48 -21.390 -5.575 -11.421 1.00 3.51 H new ATOM 0 HZ3 LYS A 48 -20.757 -6.877 -12.308 1.00 3.51 H new ATOM 1419 N ARG A 49 -21.329 -8.011 -4.948 1.00 0.73 N ATOM 1420 CA ARG A 49 -22.413 -7.698 -4.018 1.00 0.70 C ATOM 1421 C ARG A 49 -21.969 -6.684 -2.960 1.00 0.61 C ATOM 1422 O ARG A 49 -22.075 -6.926 -1.756 1.00 0.75 O ATOM 1423 CB ARG A 49 -22.918 -8.984 -3.354 1.00 0.97 C ATOM 1424 CG ARG A 49 -21.846 -9.736 -2.584 1.00 1.10 C ATOM 1425 CD ARG A 49 -22.413 -10.929 -1.837 1.00 1.54 C ATOM 1426 NE ARG A 49 -22.532 -12.114 -2.685 1.00 2.02 N ATOM 1427 CZ ARG A 49 -23.572 -12.947 -2.660 1.00 2.68 C ATOM 1428 NH1 ARG A 49 -24.646 -12.655 -1.938 1.00 3.06 N ATOM 1429 NH2 ARG A 49 -23.541 -14.064 -3.375 1.00 3.24 N ATOM 0 H ARG A 49 -20.812 -8.858 -4.713 1.00 0.73 H new ATOM 0 HA ARG A 49 -23.227 -7.245 -4.584 1.00 0.70 H new ATOM 0 HB2 ARG A 49 -23.734 -8.736 -2.675 1.00 0.97 H new ATOM 0 HB3 ARG A 49 -23.330 -9.640 -4.120 1.00 0.97 H new ATOM 0 HG2 ARG A 49 -21.074 -10.075 -3.275 1.00 1.10 H new ATOM 0 HG3 ARG A 49 -21.366 -9.060 -1.876 1.00 1.10 H new ATOM 0 HD2 ARG A 49 -21.773 -11.158 -0.985 1.00 1.54 H new ATOM 0 HD3 ARG A 49 -23.394 -10.671 -1.438 1.00 1.54 H new ATOM 0 HE ARG A 49 -21.773 -12.316 -3.336 1.00 2.02 H new ATOM 0 HH11 ARG A 49 -24.678 -11.790 -1.399 1.00 3.06 H new ATOM 0 HH12 ARG A 49 -25.439 -13.296 -1.922 1.00 3.06 H new ATOM 0 HH21 ARG A 49 -22.722 -14.284 -3.942 1.00 3.24 H new ATOM 0 HH22 ARG A 49 -24.336 -14.703 -3.357 1.00 3.24 H new ATOM 1443 N THR A 50 -21.488 -5.541 -3.410 1.00 0.55 N ATOM 1444 CA THR A 50 -21.013 -4.516 -2.504 1.00 0.50 C ATOM 1445 C THR A 50 -21.999 -3.383 -2.360 1.00 0.50 C ATOM 1446 O THR A 50 -22.188 -2.570 -3.263 1.00 0.56 O ATOM 1447 CB THR A 50 -19.673 -3.959 -2.959 1.00 0.54 C ATOM 1448 OG1 THR A 50 -19.348 -4.530 -4.229 1.00 0.91 O ATOM 1449 CG2 THR A 50 -18.605 -4.293 -1.931 1.00 0.51 C ATOM 0 H THR A 50 -21.416 -5.300 -4.398 1.00 0.55 H new ATOM 0 HA THR A 50 -20.895 -4.996 -1.532 1.00 0.50 H new ATOM 0 HB THR A 50 -19.727 -2.875 -3.055 1.00 0.54 H new ATOM 0 HG1 THR A 50 -18.922 -5.402 -4.096 1.00 0.91 H new ATOM 0 HG21 THR A 50 -17.646 -3.893 -2.260 1.00 0.51 H new ATOM 0 HG22 THR A 50 -18.873 -3.851 -0.971 1.00 0.51 H new ATOM 0 HG23 THR A 50 -18.529 -5.375 -1.824 1.00 0.51 H new ATOM 1457 N ASP A 51 -22.651 -3.367 -1.227 1.00 0.49 N ATOM 1458 CA ASP A 51 -23.478 -2.246 -0.840 1.00 0.51 C ATOM 1459 C ASP A 51 -22.811 -1.556 0.341 1.00 0.44 C ATOM 1460 O ASP A 51 -21.658 -1.856 0.659 1.00 0.43 O ATOM 1461 CB ASP A 51 -24.892 -2.709 -0.477 1.00 0.60 C ATOM 1462 CG ASP A 51 -25.908 -1.585 -0.565 1.00 1.15 C ATOM 1463 OD1 ASP A 51 -26.413 -1.323 -1.673 1.00 1.72 O ATOM 1464 OD2 ASP A 51 -26.200 -0.955 0.475 1.00 1.94 O ATOM 0 H ASP A 51 -22.626 -4.126 -0.546 1.00 0.49 H new ATOM 0 HA ASP A 51 -23.575 -1.549 -1.672 1.00 0.51 H new ATOM 0 HB2 ASP A 51 -25.190 -3.517 -1.145 1.00 0.60 H new ATOM 0 HB3 ASP A 51 -24.890 -3.115 0.534 1.00 0.60 H new ATOM 1469 N GLU A 52 -23.527 -0.669 1.005 1.00 0.47 N ATOM 1470 CA GLU A 52 -22.974 0.071 2.129 1.00 0.46 C ATOM 1471 C GLU A 52 -22.647 -0.869 3.290 1.00 0.46 C ATOM 1472 O GLU A 52 -21.858 -0.531 4.166 1.00 0.46 O ATOM 1473 CB GLU A 52 -23.956 1.153 2.567 1.00 0.49 C ATOM 1474 CG GLU A 52 -24.327 2.110 1.443 1.00 0.52 C ATOM 1475 CD GLU A 52 -23.168 2.966 0.984 1.00 0.71 C ATOM 1476 OE1 GLU A 52 -22.319 2.460 0.223 1.00 1.27 O ATOM 1477 OE2 GLU A 52 -23.122 4.156 1.362 1.00 1.44 O ATOM 0 H GLU A 52 -24.497 -0.441 0.786 1.00 0.47 H new ATOM 0 HA GLU A 52 -22.045 0.546 1.815 1.00 0.46 H new ATOM 0 HB2 GLU A 52 -24.861 0.681 2.949 1.00 0.49 H new ATOM 0 HB3 GLU A 52 -23.521 1.719 3.390 1.00 0.49 H new ATOM 0 HG2 GLU A 52 -24.705 1.537 0.596 1.00 0.52 H new ATOM 0 HG3 GLU A 52 -25.138 2.757 1.778 1.00 0.52 H new ATOM 1484 N ALA A 53 -23.248 -2.057 3.276 1.00 0.52 N ATOM 1485 CA ALA A 53 -22.982 -3.068 4.295 1.00 0.58 C ATOM 1486 C ALA A 53 -21.525 -3.528 4.261 1.00 0.57 C ATOM 1487 O ALA A 53 -20.880 -3.658 5.304 1.00 0.68 O ATOM 1488 CB ALA A 53 -23.915 -4.255 4.113 1.00 0.65 C ATOM 0 H ALA A 53 -23.924 -2.343 2.568 1.00 0.52 H new ATOM 0 HA ALA A 53 -23.165 -2.616 5.270 1.00 0.58 H new ATOM 0 HB1 ALA A 53 -23.707 -5.002 4.879 1.00 0.65 H new ATOM 0 HB2 ALA A 53 -24.949 -3.922 4.202 1.00 0.65 H new ATOM 0 HB3 ALA A 53 -23.759 -4.693 3.127 1.00 0.65 H new ATOM 1494 N ALA A 54 -20.998 -3.760 3.063 1.00 0.49 N ATOM 1495 CA ALA A 54 -19.620 -4.218 2.921 1.00 0.50 C ATOM 1496 C ALA A 54 -18.654 -3.045 3.022 1.00 0.45 C ATOM 1497 O ALA A 54 -17.473 -3.218 3.329 1.00 0.52 O ATOM 1498 CB ALA A 54 -19.420 -4.972 1.606 1.00 0.49 C ATOM 0 H ALA A 54 -21.499 -3.640 2.183 1.00 0.49 H new ATOM 0 HA ALA A 54 -19.410 -4.910 3.737 1.00 0.50 H new ATOM 0 HB1 ALA A 54 -18.384 -5.301 1.529 1.00 0.49 H new ATOM 0 HB2 ALA A 54 -20.079 -5.840 1.580 1.00 0.49 H new ATOM 0 HB3 ALA A 54 -19.655 -4.314 0.770 1.00 0.49 H new ATOM 1504 N PHE A 55 -19.171 -1.848 2.784 1.00 0.36 N ATOM 1505 CA PHE A 55 -18.362 -0.638 2.831 1.00 0.32 C ATOM 1506 C PHE A 55 -18.299 -0.052 4.239 1.00 0.34 C ATOM 1507 O PHE A 55 -17.370 0.685 4.561 1.00 0.34 O ATOM 1508 CB PHE A 55 -18.914 0.406 1.863 1.00 0.31 C ATOM 1509 CG PHE A 55 -18.410 0.247 0.458 1.00 0.28 C ATOM 1510 CD1 PHE A 55 -19.011 -0.636 -0.428 1.00 1.20 C ATOM 1511 CD2 PHE A 55 -17.321 0.986 0.027 1.00 1.20 C ATOM 1512 CE1 PHE A 55 -18.534 -0.771 -1.718 1.00 1.21 C ATOM 1513 CE2 PHE A 55 -16.843 0.852 -1.258 1.00 1.20 C ATOM 1514 CZ PHE A 55 -17.448 -0.027 -2.133 1.00 0.31 C ATOM 0 H PHE A 55 -20.152 -1.688 2.555 1.00 0.36 H new ATOM 0 HA PHE A 55 -17.349 -0.912 2.535 1.00 0.32 H new ATOM 0 HB2 PHE A 55 -20.002 0.346 1.859 1.00 0.31 H new ATOM 0 HB3 PHE A 55 -18.651 1.400 2.225 1.00 0.31 H new ATOM 0 HD1 PHE A 55 -19.859 -1.223 -0.107 1.00 1.20 H new ATOM 0 HD2 PHE A 55 -16.841 1.675 0.706 1.00 1.20 H new ATOM 0 HE1 PHE A 55 -19.011 -1.458 -2.401 1.00 1.21 H new ATOM 0 HE2 PHE A 55 -15.994 1.436 -1.581 1.00 1.20 H new ATOM 0 HZ PHE A 55 -17.073 -0.133 -3.140 1.00 0.31 H new ATOM 1524 N GLN A 56 -19.274 -0.390 5.073 1.00 0.37 N ATOM 1525 CA GLN A 56 -19.362 0.171 6.416 1.00 0.40 C ATOM 1526 C GLN A 56 -18.152 -0.212 7.264 1.00 0.37 C ATOM 1527 O GLN A 56 -17.514 0.652 7.866 1.00 0.42 O ATOM 1528 CB GLN A 56 -20.647 -0.282 7.111 1.00 0.46 C ATOM 1529 CG GLN A 56 -20.928 0.457 8.409 1.00 0.58 C ATOM 1530 CD GLN A 56 -22.174 -0.044 9.113 1.00 0.68 C ATOM 1531 OE1 GLN A 56 -22.443 -1.333 8.994 1.00 1.42 O flip ATOM 1532 NE2 GLN A 56 -22.877 0.722 9.773 1.00 1.00 N flip ATOM 0 H GLN A 56 -20.016 -1.051 4.843 1.00 0.37 H new ATOM 0 HA GLN A 56 -19.377 1.256 6.312 1.00 0.40 H new ATOM 0 HB2 GLN A 56 -21.488 -0.139 6.432 1.00 0.46 H new ATOM 0 HB3 GLN A 56 -20.582 -1.350 7.317 1.00 0.46 H new ATOM 0 HG2 GLN A 56 -20.072 0.350 9.075 1.00 0.58 H new ATOM 0 HG3 GLN A 56 -21.038 1.521 8.199 1.00 0.58 H new ATOM 0 HE21 GLN A 56 -22.633 1.710 9.838 1.00 1.00 H new ATOM 0 HE22 GLN A 56 -23.704 0.368 10.255 1.00 1.00 H new ATOM 1541 N LYS A 57 -17.820 -1.499 7.297 1.00 0.34 N ATOM 1542 CA LYS A 57 -16.704 -1.952 8.114 1.00 0.35 C ATOM 1543 C LYS A 57 -15.392 -1.571 7.435 1.00 0.29 C ATOM 1544 O LYS A 57 -14.381 -1.348 8.095 1.00 0.34 O ATOM 1545 CB LYS A 57 -16.774 -3.465 8.370 1.00 0.47 C ATOM 1546 CG LYS A 57 -16.347 -3.858 9.782 1.00 0.85 C ATOM 1547 CD LYS A 57 -14.924 -3.417 10.078 1.00 0.57 C ATOM 1548 CE LYS A 57 -14.596 -3.440 11.561 1.00 0.63 C ATOM 1549 NZ LYS A 57 -14.414 -4.822 12.083 1.00 0.92 N ATOM 0 H LYS A 57 -18.299 -2.234 6.777 1.00 0.34 H new ATOM 0 HA LYS A 57 -16.759 -1.461 9.086 1.00 0.35 H new ATOM 0 HB2 LYS A 57 -17.794 -3.809 8.197 1.00 0.47 H new ATOM 0 HB3 LYS A 57 -16.138 -3.978 7.649 1.00 0.47 H new ATOM 0 HG2 LYS A 57 -17.026 -3.409 10.507 1.00 0.85 H new ATOM 0 HG3 LYS A 57 -16.426 -4.939 9.899 1.00 0.85 H new ATOM 0 HD2 LYS A 57 -14.229 -4.068 9.547 1.00 0.57 H new ATOM 0 HD3 LYS A 57 -14.774 -2.408 9.693 1.00 0.57 H new ATOM 0 HE2 LYS A 57 -13.687 -2.866 11.738 1.00 0.63 H new ATOM 0 HE3 LYS A 57 -15.396 -2.948 12.114 1.00 0.63 H new ATOM 0 HZ1 LYS A 57 -14.678 -4.851 13.088 1.00 0.92 H new ATOM 0 HZ2 LYS A 57 -15.018 -5.478 11.547 1.00 0.92 H new ATOM 0 HZ3 LYS A 57 -13.419 -5.104 11.979 1.00 0.92 H new ATOM 1563 N LEU A 58 -15.427 -1.478 6.114 1.00 0.24 N ATOM 1564 CA LEU A 58 -14.294 -0.965 5.360 1.00 0.20 C ATOM 1565 C LEU A 58 -13.951 0.436 5.855 1.00 0.20 C ATOM 1566 O LEU A 58 -12.887 0.666 6.428 1.00 0.22 O ATOM 1567 CB LEU A 58 -14.632 -0.935 3.869 1.00 0.20 C ATOM 1568 CG LEU A 58 -13.608 -0.236 2.981 1.00 0.19 C ATOM 1569 CD1 LEU A 58 -12.223 -0.814 3.210 1.00 0.20 C ATOM 1570 CD2 LEU A 58 -14.014 -0.343 1.520 1.00 0.23 C ATOM 0 H LEU A 58 -16.227 -1.751 5.543 1.00 0.24 H new ATOM 0 HA LEU A 58 -13.432 -1.616 5.507 1.00 0.20 H new ATOM 0 HB2 LEU A 58 -14.751 -1.961 3.520 1.00 0.20 H new ATOM 0 HB3 LEU A 58 -15.595 -0.441 3.742 1.00 0.20 H new ATOM 0 HG LEU A 58 -13.578 0.821 3.246 1.00 0.19 H new ATOM 0 HD11 LEU A 58 -11.505 -0.303 2.568 1.00 0.20 H new ATOM 0 HD12 LEU A 58 -11.939 -0.676 4.253 1.00 0.20 H new ATOM 0 HD13 LEU A 58 -12.229 -1.878 2.973 1.00 0.20 H new ATOM 0 HD21 LEU A 58 -13.273 0.161 0.899 1.00 0.23 H new ATOM 0 HD22 LEU A 58 -14.073 -1.393 1.235 1.00 0.23 H new ATOM 0 HD23 LEU A 58 -14.987 0.127 1.377 1.00 0.23 H new ATOM 1582 N MET A 59 -14.881 1.351 5.619 1.00 0.21 N ATOM 1583 CA MET A 59 -14.847 2.698 6.164 1.00 0.26 C ATOM 1584 C MET A 59 -14.381 2.711 7.619 1.00 0.27 C ATOM 1585 O MET A 59 -13.517 3.493 7.994 1.00 0.33 O ATOM 1586 CB MET A 59 -16.251 3.291 6.088 1.00 0.36 C ATOM 1587 CG MET A 59 -16.254 4.796 6.029 1.00 0.34 C ATOM 1588 SD MET A 59 -15.504 5.389 4.512 1.00 0.72 S ATOM 1589 CE MET A 59 -14.889 6.955 5.081 1.00 0.32 C ATOM 0 H MET A 59 -15.696 1.173 5.032 1.00 0.21 H new ATOM 0 HA MET A 59 -14.139 3.285 5.579 1.00 0.26 H new ATOM 0 HB2 MET A 59 -16.758 2.898 5.207 1.00 0.36 H new ATOM 0 HB3 MET A 59 -16.824 2.966 6.957 1.00 0.36 H new ATOM 0 HG2 MET A 59 -17.278 5.163 6.099 1.00 0.34 H new ATOM 0 HG3 MET A 59 -15.713 5.197 6.886 1.00 0.34 H new ATOM 0 HE1 MET A 59 -14.253 7.396 4.314 1.00 0.32 H new ATOM 0 HE2 MET A 59 -15.726 7.622 5.286 1.00 0.32 H new ATOM 0 HE3 MET A 59 -14.310 6.809 5.993 1.00 0.32 H new ATOM 1599 N SER A 60 -14.969 1.836 8.425 1.00 0.28 N ATOM 1600 CA SER A 60 -14.679 1.759 9.853 1.00 0.35 C ATOM 1601 C SER A 60 -13.209 1.437 10.123 1.00 0.32 C ATOM 1602 O SER A 60 -12.539 2.144 10.878 1.00 0.36 O ATOM 1603 CB SER A 60 -15.546 0.679 10.482 1.00 0.41 C ATOM 1604 OG SER A 60 -15.525 0.750 11.897 1.00 0.64 O ATOM 0 H SER A 60 -15.662 1.158 8.107 1.00 0.28 H new ATOM 0 HA SER A 60 -14.896 2.734 10.289 1.00 0.35 H new ATOM 0 HB2 SER A 60 -16.571 0.783 10.127 1.00 0.41 H new ATOM 0 HB3 SER A 60 -15.196 -0.302 10.161 1.00 0.41 H new ATOM 0 HG SER A 60 -16.093 0.043 12.268 1.00 0.64 H new ATOM 1610 N ASN A 61 -12.720 0.362 9.511 1.00 0.30 N ATOM 1611 CA ASN A 61 -11.347 -0.090 9.726 1.00 0.31 C ATOM 1612 C ASN A 61 -10.363 0.929 9.206 1.00 0.31 C ATOM 1613 O ASN A 61 -9.296 1.146 9.784 1.00 0.39 O ATOM 1614 CB ASN A 61 -11.105 -1.427 9.034 1.00 0.34 C ATOM 1615 CG ASN A 61 -11.524 -2.600 9.884 1.00 0.43 C ATOM 1616 OD1 ASN A 61 -11.525 -2.518 11.112 1.00 0.95 O ATOM 1617 ND2 ASN A 61 -11.874 -3.703 9.245 1.00 0.57 N ATOM 0 H ASN A 61 -13.255 -0.214 8.861 1.00 0.30 H new ATOM 0 HA ASN A 61 -11.201 -0.212 10.799 1.00 0.31 H new ATOM 0 HB2 ASN A 61 -11.654 -1.450 8.093 1.00 0.34 H new ATOM 0 HB3 ASN A 61 -10.047 -1.519 8.789 1.00 0.34 H new ATOM 0 HD21 ASN A 61 -12.159 -4.529 9.772 1.00 0.57 H new ATOM 0 HD22 ASN A 61 -11.859 -3.728 8.225 1.00 0.57 H new ATOM 1624 N LEU A 62 -10.744 1.548 8.114 1.00 0.30 N ATOM 1625 CA LEU A 62 -9.938 2.597 7.496 1.00 0.33 C ATOM 1626 C LEU A 62 -9.879 3.817 8.391 1.00 0.33 C ATOM 1627 O LEU A 62 -8.817 4.390 8.612 1.00 0.38 O ATOM 1628 CB LEU A 62 -10.514 2.986 6.138 1.00 0.37 C ATOM 1629 CG LEU A 62 -9.919 2.256 4.937 1.00 0.24 C ATOM 1630 CD1 LEU A 62 -9.911 0.754 5.164 1.00 0.52 C ATOM 1631 CD2 LEU A 62 -10.702 2.602 3.681 1.00 0.28 C ATOM 0 H LEU A 62 -11.616 1.347 7.624 1.00 0.30 H new ATOM 0 HA LEU A 62 -8.929 2.209 7.355 1.00 0.33 H new ATOM 0 HB2 LEU A 62 -11.589 2.806 6.154 1.00 0.37 H new ATOM 0 HB3 LEU A 62 -10.372 4.057 5.996 1.00 0.37 H new ATOM 0 HG LEU A 62 -8.886 2.581 4.811 1.00 0.24 H new ATOM 0 HD11 LEU A 62 -9.482 0.257 4.294 1.00 0.52 H new ATOM 0 HD12 LEU A 62 -9.313 0.522 6.045 1.00 0.52 H new ATOM 0 HD13 LEU A 62 -10.932 0.404 5.316 1.00 0.52 H new ATOM 0 HD21 LEU A 62 -10.272 2.077 2.828 1.00 0.28 H new ATOM 0 HD22 LEU A 62 -11.742 2.300 3.806 1.00 0.28 H new ATOM 0 HD23 LEU A 62 -10.655 3.677 3.507 1.00 0.28 H new ATOM 1643 N ASP A 63 -11.037 4.199 8.898 1.00 0.37 N ATOM 1644 CA ASP A 63 -11.168 5.343 9.787 1.00 0.43 C ATOM 1645 C ASP A 63 -10.502 5.052 11.131 1.00 0.38 C ATOM 1646 O ASP A 63 -11.159 4.656 12.097 1.00 0.43 O ATOM 1647 CB ASP A 63 -12.656 5.660 9.964 1.00 0.56 C ATOM 1648 CG ASP A 63 -12.928 6.828 10.878 1.00 0.85 C ATOM 1649 OD1 ASP A 63 -12.479 7.944 10.568 1.00 1.56 O ATOM 1650 OD2 ASP A 63 -13.635 6.642 11.891 1.00 1.35 O ATOM 0 H ASP A 63 -11.918 3.723 8.705 1.00 0.37 H new ATOM 0 HA ASP A 63 -10.667 6.209 9.355 1.00 0.43 H new ATOM 0 HB2 ASP A 63 -13.092 5.867 8.987 1.00 0.56 H new ATOM 0 HB3 ASP A 63 -13.161 4.778 10.358 1.00 0.56 H new ATOM 1655 N SER A 64 -9.185 5.206 11.176 1.00 0.37 N ATOM 1656 CA SER A 64 -8.427 4.904 12.376 1.00 0.41 C ATOM 1657 C SER A 64 -8.323 6.151 13.245 1.00 0.52 C ATOM 1658 O SER A 64 -8.237 6.067 14.472 1.00 0.64 O ATOM 1659 CB SER A 64 -7.032 4.366 12.008 1.00 0.45 C ATOM 1660 OG SER A 64 -6.115 5.407 11.738 1.00 0.58 O ATOM 0 H SER A 64 -8.622 5.539 10.393 1.00 0.37 H new ATOM 0 HA SER A 64 -8.944 4.129 12.943 1.00 0.41 H new ATOM 0 HB2 SER A 64 -6.653 3.753 12.826 1.00 0.45 H new ATOM 0 HB3 SER A 64 -7.112 3.719 11.135 1.00 0.45 H new ATOM 0 HG SER A 64 -6.507 6.028 11.089 1.00 0.58 H new ATOM 1666 N ASN A 65 -8.353 7.311 12.598 1.00 0.60 N ATOM 1667 CA ASN A 65 -8.288 8.589 13.295 1.00 0.83 C ATOM 1668 C ASN A 65 -9.669 8.993 13.815 1.00 0.89 C ATOM 1669 O ASN A 65 -9.800 9.958 14.571 1.00 1.10 O ATOM 1670 CB ASN A 65 -7.716 9.678 12.376 1.00 0.95 C ATOM 1671 CG ASN A 65 -8.650 10.070 11.242 1.00 0.99 C ATOM 1672 OD1 ASN A 65 -9.446 9.268 10.759 1.00 1.52 O ATOM 1673 ND2 ASN A 65 -8.549 11.317 10.802 1.00 1.44 N ATOM 0 H ASN A 65 -8.423 7.391 11.584 1.00 0.60 H new ATOM 0 HA ASN A 65 -7.621 8.477 14.150 1.00 0.83 H new ATOM 0 HB2 ASN A 65 -7.490 10.562 12.972 1.00 0.95 H new ATOM 0 HB3 ASN A 65 -6.774 9.328 11.955 1.00 0.95 H new ATOM 0 HD21 ASN A 65 -9.144 11.638 10.038 1.00 1.44 H new ATOM 0 HD22 ASN A 65 -7.876 11.955 11.227 1.00 1.44 H new ATOM 1680 N ARG A 66 -10.684 8.240 13.392 1.00 0.79 N ATOM 1681 CA ARG A 66 -12.064 8.396 13.870 1.00 0.98 C ATOM 1682 C ARG A 66 -12.650 9.748 13.470 1.00 1.05 C ATOM 1683 O ARG A 66 -12.921 10.606 14.315 1.00 1.34 O ATOM 1684 CB ARG A 66 -12.156 8.199 15.392 1.00 1.26 C ATOM 1685 CG ARG A 66 -11.498 6.918 15.888 1.00 1.46 C ATOM 1686 CD ARG A 66 -11.949 5.700 15.094 1.00 1.25 C ATOM 1687 NE ARG A 66 -13.368 5.403 15.271 1.00 1.91 N ATOM 1688 CZ ARG A 66 -14.029 4.495 14.547 1.00 2.60 C ATOM 1689 NH1 ARG A 66 -13.417 3.867 13.547 1.00 2.85 N ATOM 1690 NH2 ARG A 66 -15.302 4.232 14.811 1.00 3.45 N ATOM 0 H ARG A 66 -10.574 7.497 12.702 1.00 0.79 H new ATOM 0 HA ARG A 66 -12.657 7.618 13.389 1.00 0.98 H new ATOM 0 HB2 ARG A 66 -11.690 9.051 15.888 1.00 1.26 H new ATOM 0 HB3 ARG A 66 -13.206 8.194 15.685 1.00 1.26 H new ATOM 0 HG2 ARG A 66 -10.415 7.016 15.817 1.00 1.46 H new ATOM 0 HG3 ARG A 66 -11.737 6.772 16.942 1.00 1.46 H new ATOM 0 HD2 ARG A 66 -11.746 5.866 14.036 1.00 1.25 H new ATOM 0 HD3 ARG A 66 -11.361 4.835 15.399 1.00 1.25 H new ATOM 0 HE ARG A 66 -13.883 5.917 15.986 1.00 1.91 H new ATOM 0 HH11 ARG A 66 -12.442 4.078 13.332 1.00 2.85 H new ATOM 0 HH12 ARG A 66 -13.922 3.174 12.995 1.00 2.85 H new ATOM 0 HH21 ARG A 66 -15.778 4.723 15.568 1.00 3.45 H new ATOM 0 HH22 ARG A 66 -15.805 3.539 14.257 1.00 3.45 H new ATOM 1704 N ASP A 67 -12.818 9.937 12.171 1.00 0.86 N ATOM 1705 CA ASP A 67 -13.378 11.169 11.627 1.00 1.00 C ATOM 1706 C ASP A 67 -14.479 10.867 10.598 1.00 0.88 C ATOM 1707 O ASP A 67 -15.152 11.776 10.108 1.00 0.94 O ATOM 1708 CB ASP A 67 -12.254 11.996 10.997 1.00 1.13 C ATOM 1709 CG ASP A 67 -12.708 13.349 10.489 1.00 1.57 C ATOM 1710 OD1 ASP A 67 -13.383 14.082 11.241 1.00 2.02 O ATOM 1711 OD2 ASP A 67 -12.352 13.699 9.345 1.00 2.08 O ATOM 0 H ASP A 67 -12.572 9.244 11.464 1.00 0.86 H new ATOM 0 HA ASP A 67 -13.836 11.740 12.434 1.00 1.00 H new ATOM 0 HB2 ASP A 67 -11.464 12.140 11.734 1.00 1.13 H new ATOM 0 HB3 ASP A 67 -11.820 11.434 10.170 1.00 1.13 H new ATOM 1716 N ASN A 68 -14.640 9.578 10.271 1.00 0.77 N ATOM 1717 CA ASN A 68 -15.655 9.101 9.309 1.00 0.74 C ATOM 1718 C ASN A 68 -15.299 9.496 7.886 1.00 0.65 C ATOM 1719 O ASN A 68 -16.095 9.338 6.961 1.00 0.66 O ATOM 1720 CB ASN A 68 -17.063 9.601 9.652 1.00 0.92 C ATOM 1721 CG ASN A 68 -17.616 8.988 10.923 1.00 1.13 C ATOM 1722 OD1 ASN A 68 -17.272 7.862 11.290 1.00 1.54 O ATOM 1723 ND2 ASN A 68 -18.478 9.720 11.604 1.00 1.75 N ATOM 0 H ASN A 68 -14.070 8.830 10.665 1.00 0.77 H new ATOM 0 HA ASN A 68 -15.658 8.014 9.383 1.00 0.74 H new ATOM 0 HB2 ASN A 68 -17.042 10.686 9.758 1.00 0.92 H new ATOM 0 HB3 ASN A 68 -17.735 9.375 8.824 1.00 0.92 H new ATOM 0 HD21 ASN A 68 -18.885 9.358 12.467 1.00 1.75 H new ATOM 0 HD22 ASN A 68 -18.737 10.647 11.267 1.00 1.75 H new ATOM 1730 N GLU A 69 -14.097 9.999 7.719 1.00 0.64 N ATOM 1731 CA GLU A 69 -13.556 10.290 6.410 1.00 0.63 C ATOM 1732 C GLU A 69 -12.137 9.777 6.365 1.00 0.54 C ATOM 1733 O GLU A 69 -11.320 10.135 7.215 1.00 0.65 O ATOM 1734 CB GLU A 69 -13.588 11.790 6.108 1.00 0.82 C ATOM 1735 CG GLU A 69 -14.990 12.356 5.944 1.00 0.95 C ATOM 1736 CD GLU A 69 -14.979 13.829 5.597 1.00 1.13 C ATOM 1737 OE1 GLU A 69 -14.753 14.651 6.506 1.00 1.65 O ATOM 1738 OE2 GLU A 69 -15.195 14.169 4.418 1.00 1.59 O ATOM 0 H GLU A 69 -13.465 10.219 8.489 1.00 0.64 H new ATOM 0 HA GLU A 69 -14.166 9.799 5.651 1.00 0.63 H new ATOM 0 HB2 GLU A 69 -13.083 12.324 6.913 1.00 0.82 H new ATOM 0 HB3 GLU A 69 -13.021 11.979 5.196 1.00 0.82 H new ATOM 0 HG2 GLU A 69 -15.512 11.805 5.162 1.00 0.95 H new ATOM 0 HG3 GLU A 69 -15.550 12.207 6.867 1.00 0.95 H new ATOM 1745 N VAL A 70 -11.848 8.928 5.399 1.00 0.40 N ATOM 1746 CA VAL A 70 -10.544 8.310 5.310 1.00 0.31 C ATOM 1747 C VAL A 70 -9.505 9.344 4.939 1.00 0.33 C ATOM 1748 O VAL A 70 -9.469 9.839 3.808 1.00 0.39 O ATOM 1749 CB VAL A 70 -10.521 7.158 4.291 1.00 0.28 C ATOM 1750 CG1 VAL A 70 -9.134 6.553 4.174 1.00 0.32 C ATOM 1751 CG2 VAL A 70 -11.530 6.097 4.687 1.00 0.29 C ATOM 0 H VAL A 70 -12.500 8.651 4.665 1.00 0.40 H new ATOM 0 HA VAL A 70 -10.313 7.891 6.289 1.00 0.31 H new ATOM 0 HB VAL A 70 -10.791 7.561 3.315 1.00 0.28 H new ATOM 0 HG11 VAL A 70 -9.151 5.742 3.446 1.00 0.32 H new ATOM 0 HG12 VAL A 70 -8.430 7.318 3.848 1.00 0.32 H new ATOM 0 HG13 VAL A 70 -8.824 6.164 5.144 1.00 0.32 H new ATOM 0 HG21 VAL A 70 -11.508 5.285 3.961 1.00 0.29 H new ATOM 0 HG22 VAL A 70 -11.280 5.708 5.674 1.00 0.29 H new ATOM 0 HG23 VAL A 70 -12.528 6.535 4.711 1.00 0.29 H new ATOM 1761 N ASP A 71 -8.702 9.697 5.922 1.00 0.36 N ATOM 1762 CA ASP A 71 -7.596 10.604 5.720 1.00 0.40 C ATOM 1763 C ASP A 71 -6.555 9.934 4.834 1.00 0.32 C ATOM 1764 O ASP A 71 -6.619 8.726 4.602 1.00 0.29 O ATOM 1765 CB ASP A 71 -6.989 10.997 7.071 1.00 0.49 C ATOM 1766 CG ASP A 71 -5.914 12.052 6.942 1.00 0.61 C ATOM 1767 OD1 ASP A 71 -6.268 13.236 6.763 1.00 1.22 O ATOM 1768 OD2 ASP A 71 -4.718 11.697 7.003 1.00 1.32 O ATOM 0 H ASP A 71 -8.799 9.363 6.881 1.00 0.36 H new ATOM 0 HA ASP A 71 -7.947 11.511 5.229 1.00 0.40 H new ATOM 0 HB2 ASP A 71 -7.778 11.366 7.726 1.00 0.49 H new ATOM 0 HB3 ASP A 71 -6.568 10.111 7.547 1.00 0.49 H new ATOM 1773 N PHE A 72 -5.606 10.711 4.355 1.00 0.36 N ATOM 1774 CA PHE A 72 -4.604 10.222 3.428 1.00 0.36 C ATOM 1775 C PHE A 72 -3.914 8.955 3.943 1.00 0.30 C ATOM 1776 O PHE A 72 -3.757 7.973 3.213 1.00 0.39 O ATOM 1777 CB PHE A 72 -3.567 11.309 3.180 1.00 0.51 C ATOM 1778 CG PHE A 72 -2.531 10.863 2.216 1.00 0.58 C ATOM 1779 CD1 PHE A 72 -2.878 10.610 0.909 1.00 1.26 C ATOM 1780 CD2 PHE A 72 -1.230 10.654 2.618 1.00 1.38 C ATOM 1781 CE1 PHE A 72 -1.954 10.154 0.009 1.00 1.29 C ATOM 1782 CE2 PHE A 72 -0.295 10.209 1.725 1.00 1.46 C ATOM 1783 CZ PHE A 72 -0.649 9.954 0.414 1.00 0.78 C ATOM 0 H PHE A 72 -5.507 11.697 4.596 1.00 0.36 H new ATOM 0 HA PHE A 72 -5.109 9.965 2.497 1.00 0.36 H new ATOM 0 HB2 PHE A 72 -4.060 12.203 2.798 1.00 0.51 H new ATOM 0 HB3 PHE A 72 -3.094 11.584 4.123 1.00 0.51 H new ATOM 0 HD1 PHE A 72 -3.896 10.774 0.588 1.00 1.26 H new ATOM 0 HD2 PHE A 72 -0.947 10.842 3.643 1.00 1.38 H new ATOM 0 HE1 PHE A 72 -2.243 9.952 -1.012 1.00 1.29 H new ATOM 0 HE2 PHE A 72 0.725 10.056 2.046 1.00 1.46 H new ATOM 0 HZ PHE A 72 0.090 9.601 -0.290 1.00 0.78 H new ATOM 1793 N GLN A 73 -3.534 8.978 5.206 1.00 0.30 N ATOM 1794 CA GLN A 73 -2.791 7.879 5.808 1.00 0.41 C ATOM 1795 C GLN A 73 -3.683 6.666 6.013 1.00 0.38 C ATOM 1796 O GLN A 73 -3.214 5.525 5.973 1.00 0.44 O ATOM 1797 CB GLN A 73 -2.183 8.297 7.147 1.00 0.61 C ATOM 1798 CG GLN A 73 -1.304 9.536 7.064 1.00 0.85 C ATOM 1799 CD GLN A 73 -0.460 9.740 8.307 1.00 0.83 C ATOM 1800 OE1 GLN A 73 -0.044 8.646 8.931 1.00 1.20 O flip ATOM 1801 NE2 GLN A 73 -0.166 10.869 8.695 1.00 1.48 N flip ATOM 0 H GLN A 73 -3.728 9.751 5.843 1.00 0.30 H new ATOM 0 HA GLN A 73 -1.987 7.615 5.121 1.00 0.41 H new ATOM 0 HB2 GLN A 73 -2.988 8.481 7.859 1.00 0.61 H new ATOM 0 HB3 GLN A 73 -1.592 7.470 7.541 1.00 0.61 H new ATOM 0 HG2 GLN A 73 -0.650 9.455 6.195 1.00 0.85 H new ATOM 0 HG3 GLN A 73 -1.933 10.413 6.909 1.00 0.85 H new ATOM 0 HE21 GLN A 73 -0.505 11.687 8.188 1.00 1.48 H new ATOM 0 HE22 GLN A 73 0.417 10.988 9.523 1.00 1.48 H new ATOM 1810 N GLU A 74 -4.975 6.907 6.199 1.00 0.34 N ATOM 1811 CA GLU A 74 -5.912 5.832 6.467 1.00 0.37 C ATOM 1812 C GLU A 74 -6.140 5.052 5.184 1.00 0.32 C ATOM 1813 O GLU A 74 -6.561 3.897 5.193 1.00 0.36 O ATOM 1814 CB GLU A 74 -7.251 6.389 6.960 1.00 0.44 C ATOM 1815 CG GLU A 74 -7.143 7.648 7.804 1.00 0.52 C ATOM 1816 CD GLU A 74 -6.448 7.438 9.124 1.00 0.58 C ATOM 1817 OE1 GLU A 74 -7.118 7.002 10.079 1.00 1.29 O ATOM 1818 OE2 GLU A 74 -5.237 7.734 9.218 1.00 1.16 O ATOM 0 H GLU A 74 -5.394 7.837 6.169 1.00 0.34 H new ATOM 0 HA GLU A 74 -5.498 5.186 7.241 1.00 0.37 H new ATOM 0 HB2 GLU A 74 -7.881 6.600 6.096 1.00 0.44 H new ATOM 0 HB3 GLU A 74 -7.757 5.619 7.543 1.00 0.44 H new ATOM 0 HG2 GLU A 74 -6.605 8.409 7.238 1.00 0.52 H new ATOM 0 HG3 GLU A 74 -8.144 8.037 7.989 1.00 0.52 H new ATOM 1825 N TYR A 75 -5.846 5.707 4.073 1.00 0.26 N ATOM 1826 CA TYR A 75 -6.098 5.140 2.765 1.00 0.25 C ATOM 1827 C TYR A 75 -4.976 4.197 2.334 1.00 0.24 C ATOM 1828 O TYR A 75 -5.224 3.161 1.720 1.00 0.28 O ATOM 1829 CB TYR A 75 -6.270 6.261 1.742 1.00 0.25 C ATOM 1830 CG TYR A 75 -6.612 5.765 0.362 1.00 0.26 C ATOM 1831 CD1 TYR A 75 -5.631 5.231 -0.461 1.00 1.17 C ATOM 1832 CD2 TYR A 75 -7.914 5.811 -0.105 1.00 1.27 C ATOM 1833 CE1 TYR A 75 -5.929 4.759 -1.717 1.00 1.17 C ATOM 1834 CE2 TYR A 75 -8.225 5.333 -1.368 1.00 1.30 C ATOM 1835 CZ TYR A 75 -7.224 4.808 -2.166 1.00 0.38 C ATOM 1836 OH TYR A 75 -7.516 4.327 -3.416 1.00 0.47 O ATOM 0 H TYR A 75 -5.430 6.638 4.055 1.00 0.26 H new ATOM 0 HA TYR A 75 -7.015 4.554 2.821 1.00 0.25 H new ATOM 0 HB2 TYR A 75 -7.055 6.936 2.082 1.00 0.25 H new ATOM 0 HB3 TYR A 75 -5.349 6.842 1.693 1.00 0.25 H new ATOM 0 HD1 TYR A 75 -4.612 5.185 -0.107 1.00 1.17 H new ATOM 0 HD2 TYR A 75 -8.693 6.222 0.519 1.00 1.27 H new ATOM 0 HE1 TYR A 75 -5.150 4.353 -2.345 1.00 1.17 H new ATOM 0 HE2 TYR A 75 -9.243 5.370 -1.727 1.00 1.30 H new ATOM 0 HH TYR A 75 -7.427 3.351 -3.420 1.00 0.47 H new ATOM 1846 N CYS A 76 -3.742 4.552 2.642 1.00 0.22 N ATOM 1847 CA CYS A 76 -2.607 3.735 2.236 1.00 0.21 C ATOM 1848 C CYS A 76 -2.634 2.384 2.929 1.00 0.15 C ATOM 1849 O CYS A 76 -2.284 1.364 2.334 1.00 0.17 O ATOM 1850 CB CYS A 76 -1.307 4.476 2.514 1.00 0.27 C ATOM 1851 SG CYS A 76 -1.268 6.134 1.801 1.00 1.65 S ATOM 0 H CYS A 76 -3.498 5.392 3.167 1.00 0.22 H new ATOM 0 HA CYS A 76 -2.674 3.550 1.164 1.00 0.21 H new ATOM 0 HB2 CYS A 76 -1.160 4.547 3.592 1.00 0.27 H new ATOM 0 HB3 CYS A 76 -0.474 3.897 2.116 1.00 0.27 H new ATOM 0 HG CYS A 76 -2.201 6.861 2.341 1.00 1.65 H new ATOM 1857 N VAL A 77 -3.081 2.370 4.170 1.00 0.16 N ATOM 1858 CA VAL A 77 -3.219 1.127 4.900 1.00 0.17 C ATOM 1859 C VAL A 77 -4.432 0.355 4.413 1.00 0.17 C ATOM 1860 O VAL A 77 -4.473 -0.864 4.515 1.00 0.19 O ATOM 1861 CB VAL A 77 -3.295 1.368 6.413 1.00 0.20 C ATOM 1862 CG1 VAL A 77 -2.013 2.023 6.875 1.00 0.23 C ATOM 1863 CG2 VAL A 77 -4.499 2.222 6.785 1.00 0.19 C ATOM 0 H VAL A 77 -3.354 3.203 4.692 1.00 0.16 H new ATOM 0 HA VAL A 77 -2.329 0.528 4.709 1.00 0.17 H new ATOM 0 HB VAL A 77 -3.417 0.408 6.914 1.00 0.20 H new ATOM 0 HG11 VAL A 77 -2.060 2.197 7.950 1.00 0.23 H new ATOM 0 HG12 VAL A 77 -1.169 1.370 6.650 1.00 0.23 H new ATOM 0 HG13 VAL A 77 -1.884 2.974 6.359 1.00 0.23 H new ATOM 0 HG21 VAL A 77 -4.520 2.371 7.865 1.00 0.19 H new ATOM 0 HG22 VAL A 77 -4.428 3.189 6.286 1.00 0.19 H new ATOM 0 HG23 VAL A 77 -5.413 1.718 6.471 1.00 0.19 H new ATOM 1873 N PHE A 78 -5.405 1.073 3.867 1.00 0.20 N ATOM 1874 CA PHE A 78 -6.513 0.448 3.173 1.00 0.22 C ATOM 1875 C PHE A 78 -5.971 -0.425 2.055 1.00 0.19 C ATOM 1876 O PHE A 78 -6.167 -1.634 2.056 1.00 0.18 O ATOM 1877 CB PHE A 78 -7.458 1.535 2.627 1.00 0.30 C ATOM 1878 CG PHE A 78 -8.296 1.142 1.437 1.00 0.22 C ATOM 1879 CD1 PHE A 78 -9.356 0.260 1.561 1.00 1.19 C ATOM 1880 CD2 PHE A 78 -8.030 1.692 0.193 1.00 1.21 C ATOM 1881 CE1 PHE A 78 -10.135 -0.069 0.466 1.00 1.21 C ATOM 1882 CE2 PHE A 78 -8.797 1.366 -0.905 1.00 1.20 C ATOM 1883 CZ PHE A 78 -9.852 0.485 -0.770 1.00 0.22 C ATOM 0 H PHE A 78 -5.445 2.092 3.894 1.00 0.20 H new ATOM 0 HA PHE A 78 -7.082 -0.181 3.858 1.00 0.22 H new ATOM 0 HB2 PHE A 78 -8.126 1.846 3.431 1.00 0.30 H new ATOM 0 HB3 PHE A 78 -6.861 2.405 2.355 1.00 0.30 H new ATOM 0 HD1 PHE A 78 -9.577 -0.176 2.524 1.00 1.19 H new ATOM 0 HD2 PHE A 78 -7.210 2.386 0.082 1.00 1.21 H new ATOM 0 HE1 PHE A 78 -10.961 -0.756 0.576 1.00 1.21 H new ATOM 0 HE2 PHE A 78 -8.573 1.799 -1.869 1.00 1.20 H new ATOM 0 HZ PHE A 78 -10.455 0.229 -1.628 1.00 0.22 H new ATOM 1893 N LEU A 79 -5.221 0.189 1.151 1.00 0.20 N ATOM 1894 CA LEU A 79 -4.746 -0.497 -0.038 1.00 0.19 C ATOM 1895 C LEU A 79 -3.720 -1.569 0.256 1.00 0.16 C ATOM 1896 O LEU A 79 -3.851 -2.692 -0.211 1.00 0.18 O ATOM 1897 CB LEU A 79 -4.181 0.492 -1.043 1.00 0.22 C ATOM 1898 CG LEU A 79 -5.211 0.981 -2.039 1.00 0.15 C ATOM 1899 CD1 LEU A 79 -4.543 1.761 -3.159 1.00 0.16 C ATOM 1900 CD2 LEU A 79 -5.987 -0.217 -2.568 1.00 0.16 C ATOM 0 H LEU A 79 -4.929 1.164 1.220 1.00 0.20 H new ATOM 0 HA LEU A 79 -5.617 -0.997 -0.461 1.00 0.19 H new ATOM 0 HB2 LEU A 79 -3.767 1.347 -0.509 1.00 0.22 H new ATOM 0 HB3 LEU A 79 -3.358 0.023 -1.582 1.00 0.22 H new ATOM 0 HG LEU A 79 -5.908 1.663 -1.552 1.00 0.15 H new ATOM 0 HD11 LEU A 79 -5.299 2.104 -3.865 1.00 0.16 H new ATOM 0 HD12 LEU A 79 -4.020 2.621 -2.741 1.00 0.16 H new ATOM 0 HD13 LEU A 79 -3.830 1.118 -3.675 1.00 0.16 H new ATOM 0 HD21 LEU A 79 -6.733 0.121 -3.287 1.00 0.16 H new ATOM 0 HD22 LEU A 79 -5.300 -0.909 -3.056 1.00 0.16 H new ATOM 0 HD23 LEU A 79 -6.484 -0.723 -1.740 1.00 0.16 H new ATOM 1912 N SER A 80 -2.704 -1.236 1.014 1.00 0.15 N ATOM 1913 CA SER A 80 -1.657 -2.193 1.305 1.00 0.15 C ATOM 1914 C SER A 80 -2.214 -3.413 2.033 1.00 0.15 C ATOM 1915 O SER A 80 -1.689 -4.517 1.915 1.00 0.18 O ATOM 1916 CB SER A 80 -0.567 -1.521 2.107 1.00 0.17 C ATOM 1917 OG SER A 80 0.025 -0.484 1.354 1.00 0.23 O ATOM 0 H SER A 80 -2.577 -0.318 1.439 1.00 0.15 H new ATOM 0 HA SER A 80 -1.231 -2.549 0.367 1.00 0.15 H new ATOM 0 HB2 SER A 80 -0.982 -1.118 3.031 1.00 0.17 H new ATOM 0 HB3 SER A 80 0.190 -2.253 2.390 1.00 0.17 H new ATOM 0 HG SER A 80 0.999 -0.589 1.363 1.00 0.23 H new ATOM 1923 N CYS A 81 -3.289 -3.216 2.770 1.00 0.14 N ATOM 1924 CA CYS A 81 -3.962 -4.320 3.421 1.00 0.15 C ATOM 1925 C CYS A 81 -4.785 -5.130 2.424 1.00 0.14 C ATOM 1926 O CYS A 81 -5.157 -6.271 2.698 1.00 0.16 O ATOM 1927 CB CYS A 81 -4.814 -3.812 4.572 1.00 0.17 C ATOM 1928 SG CYS A 81 -3.835 -3.358 6.018 1.00 0.22 S ATOM 0 H CYS A 81 -3.714 -2.303 2.932 1.00 0.14 H new ATOM 0 HA CYS A 81 -3.208 -4.992 3.831 1.00 0.15 H new ATOM 0 HB2 CYS A 81 -5.386 -2.946 4.240 1.00 0.17 H new ATOM 0 HB3 CYS A 81 -5.534 -4.581 4.853 1.00 0.17 H new ATOM 0 HG CYS A 81 -2.777 -2.704 5.638 1.00 0.22 H new ATOM 1934 N ILE A 82 -5.057 -4.554 1.259 1.00 0.13 N ATOM 1935 CA ILE A 82 -5.759 -5.286 0.221 1.00 0.14 C ATOM 1936 C ILE A 82 -4.759 -6.131 -0.569 1.00 0.17 C ATOM 1937 O ILE A 82 -5.146 -7.058 -1.269 1.00 0.21 O ATOM 1938 CB ILE A 82 -6.566 -4.379 -0.735 1.00 0.15 C ATOM 1939 CG1 ILE A 82 -7.281 -3.283 0.037 1.00 0.15 C ATOM 1940 CG2 ILE A 82 -7.604 -5.198 -1.482 1.00 0.16 C ATOM 1941 CD1 ILE A 82 -8.152 -2.410 -0.834 1.00 0.18 C ATOM 0 H ILE A 82 -4.805 -3.596 1.015 1.00 0.13 H new ATOM 0 HA ILE A 82 -6.489 -5.925 0.719 1.00 0.14 H new ATOM 0 HB ILE A 82 -5.865 -3.930 -1.439 1.00 0.15 H new ATOM 0 HG12 ILE A 82 -7.896 -3.737 0.814 1.00 0.15 H new ATOM 0 HG13 ILE A 82 -6.541 -2.660 0.539 1.00 0.15 H new ATOM 0 HG21 ILE A 82 -8.166 -4.548 -2.153 1.00 0.16 H new ATOM 0 HG22 ILE A 82 -7.106 -5.975 -2.062 1.00 0.16 H new ATOM 0 HG23 ILE A 82 -8.286 -5.660 -0.768 1.00 0.16 H new ATOM 0 HD11 ILE A 82 -8.633 -1.648 -0.220 1.00 0.18 H new ATOM 0 HD12 ILE A 82 -7.538 -1.928 -1.595 1.00 0.18 H new ATOM 0 HD13 ILE A 82 -8.914 -3.022 -1.316 1.00 0.18 H new ATOM 1953 N ALA A 83 -3.465 -5.795 -0.480 1.00 0.18 N ATOM 1954 CA ALA A 83 -2.421 -6.724 -0.907 1.00 0.23 C ATOM 1955 C ALA A 83 -2.572 -8.031 -0.158 1.00 0.20 C ATOM 1956 O ALA A 83 -2.639 -9.105 -0.752 1.00 0.21 O ATOM 1957 CB ALA A 83 -1.040 -6.164 -0.633 1.00 0.30 C ATOM 0 H ALA A 83 -3.124 -4.903 -0.122 1.00 0.18 H new ATOM 0 HA ALA A 83 -2.529 -6.881 -1.980 1.00 0.23 H new ATOM 0 HB1 ALA A 83 -0.286 -6.879 -0.962 1.00 0.30 H new ATOM 0 HB2 ALA A 83 -0.913 -5.227 -1.175 1.00 0.30 H new ATOM 0 HB3 ALA A 83 -0.926 -5.983 0.436 1.00 0.30 H new ATOM 1963 N MET A 84 -2.634 -7.919 1.160 1.00 0.22 N ATOM 1964 CA MET A 84 -2.841 -9.079 2.018 1.00 0.25 C ATOM 1965 C MET A 84 -4.176 -9.748 1.706 1.00 0.24 C ATOM 1966 O MET A 84 -4.304 -10.968 1.801 1.00 0.28 O ATOM 1967 CB MET A 84 -2.762 -8.684 3.491 1.00 0.30 C ATOM 1968 CG MET A 84 -1.343 -8.400 3.957 1.00 0.34 C ATOM 1969 SD MET A 84 -1.273 -7.767 5.642 1.00 0.36 S ATOM 1970 CE MET A 84 -2.141 -6.215 5.436 1.00 0.20 C ATOM 0 H MET A 84 -2.544 -7.035 1.661 1.00 0.22 H new ATOM 0 HA MET A 84 -2.046 -9.798 1.818 1.00 0.25 H new ATOM 0 HB2 MET A 84 -3.377 -7.799 3.657 1.00 0.30 H new ATOM 0 HB3 MET A 84 -3.184 -9.484 4.099 1.00 0.30 H new ATOM 0 HG2 MET A 84 -0.755 -9.315 3.893 1.00 0.34 H new ATOM 0 HG3 MET A 84 -0.882 -7.678 3.283 1.00 0.34 H new ATOM 0 HE1 MET A 84 -2.049 -5.623 6.347 1.00 0.20 H new ATOM 0 HE2 MET A 84 -1.709 -5.665 4.600 1.00 0.20 H new ATOM 0 HE3 MET A 84 -3.194 -6.411 5.236 1.00 0.20 H new ATOM 1980 N MET A 85 -5.163 -8.946 1.319 1.00 0.25 N ATOM 1981 CA MET A 85 -6.427 -9.479 0.828 1.00 0.36 C ATOM 1982 C MET A 85 -6.185 -10.280 -0.437 1.00 0.33 C ATOM 1983 O MET A 85 -6.624 -11.420 -0.564 1.00 0.43 O ATOM 1984 CB MET A 85 -7.408 -8.359 0.483 1.00 0.62 C ATOM 1985 CG MET A 85 -8.811 -8.871 0.201 1.00 0.77 C ATOM 1986 SD MET A 85 -9.789 -7.722 -0.770 1.00 0.67 S ATOM 1987 CE MET A 85 -10.228 -6.541 0.492 1.00 0.30 C ATOM 0 H MET A 85 -5.111 -7.927 1.336 1.00 0.25 H new ATOM 0 HA MET A 85 -6.848 -10.102 1.617 1.00 0.36 H new ATOM 0 HB2 MET A 85 -7.445 -7.648 1.308 1.00 0.62 H new ATOM 0 HB3 MET A 85 -7.042 -7.817 -0.389 1.00 0.62 H new ATOM 0 HG2 MET A 85 -8.746 -9.822 -0.327 1.00 0.77 H new ATOM 0 HG3 MET A 85 -9.319 -9.065 1.146 1.00 0.77 H new ATOM 0 HE1 MET A 85 -10.885 -5.782 0.067 1.00 0.30 H new ATOM 0 HE2 MET A 85 -10.742 -7.052 1.306 1.00 0.30 H new ATOM 0 HE3 MET A 85 -9.325 -6.066 0.875 1.00 0.30 H new ATOM 1997 N CYS A 86 -5.465 -9.656 -1.364 1.00 0.32 N ATOM 1998 CA CYS A 86 -5.188 -10.232 -2.672 1.00 0.43 C ATOM 1999 C CYS A 86 -4.402 -11.532 -2.547 1.00 0.43 C ATOM 2000 O CYS A 86 -4.285 -12.278 -3.506 1.00 0.58 O ATOM 2001 CB CYS A 86 -4.431 -9.230 -3.549 1.00 0.49 C ATOM 2002 SG CYS A 86 -4.323 -9.703 -5.290 1.00 0.57 S ATOM 0 H CYS A 86 -5.056 -8.732 -1.227 1.00 0.32 H new ATOM 0 HA CYS A 86 -6.142 -10.461 -3.147 1.00 0.43 H new ATOM 0 HB2 CYS A 86 -4.921 -8.259 -3.478 1.00 0.49 H new ATOM 0 HB3 CYS A 86 -3.422 -9.108 -3.154 1.00 0.49 H new ATOM 0 HG CYS A 86 -4.275 -10.999 -5.386 1.00 0.57 H new ATOM 2008 N ASN A 87 -3.829 -11.778 -1.377 1.00 0.36 N ATOM 2009 CA ASN A 87 -3.208 -13.064 -1.091 1.00 0.44 C ATOM 2010 C ASN A 87 -4.249 -14.175 -1.176 1.00 0.47 C ATOM 2011 O ASN A 87 -4.097 -15.132 -1.935 1.00 0.54 O ATOM 2012 CB ASN A 87 -2.583 -13.050 0.303 1.00 0.54 C ATOM 2013 CG ASN A 87 -1.955 -14.380 0.693 1.00 0.72 C ATOM 2014 OD1 ASN A 87 -1.394 -15.086 -0.273 1.00 1.43 O flip ATOM 2015 ND2 ASN A 87 -1.962 -14.756 1.866 1.00 1.23 N flip ATOM 0 H ASN A 87 -3.781 -11.105 -0.612 1.00 0.36 H new ATOM 0 HA ASN A 87 -2.426 -13.247 -1.828 1.00 0.44 H new ATOM 0 HB2 ASN A 87 -1.822 -12.270 0.345 1.00 0.54 H new ATOM 0 HB3 ASN A 87 -3.348 -12.789 1.034 1.00 0.54 H new ATOM 0 HD21 ASN A 87 -2.406 -14.182 2.583 1.00 1.23 H new ATOM 0 HD22 ASN A 87 -1.524 -15.641 2.120 1.00 1.23 H new ATOM 2022 N GLU A 88 -5.319 -14.024 -0.406 1.00 0.56 N ATOM 2023 CA GLU A 88 -6.388 -15.009 -0.378 1.00 0.70 C ATOM 2024 C GLU A 88 -7.301 -14.815 -1.580 1.00 0.73 C ATOM 2025 O GLU A 88 -7.751 -15.769 -2.217 1.00 0.82 O ATOM 2026 CB GLU A 88 -7.198 -14.872 0.911 1.00 0.96 C ATOM 2027 CG GLU A 88 -8.058 -16.088 1.216 1.00 1.81 C ATOM 2028 CD GLU A 88 -7.237 -17.349 1.386 1.00 2.18 C ATOM 2029 OE1 GLU A 88 -6.829 -17.943 0.365 1.00 2.78 O ATOM 2030 OE2 GLU A 88 -6.982 -17.742 2.542 1.00 2.60 O ATOM 0 H GLU A 88 -5.468 -13.224 0.209 1.00 0.56 H new ATOM 0 HA GLU A 88 -5.948 -16.006 -0.416 1.00 0.70 H new ATOM 0 HB2 GLU A 88 -6.516 -14.701 1.744 1.00 0.96 H new ATOM 0 HB3 GLU A 88 -7.838 -13.993 0.837 1.00 0.96 H new ATOM 0 HG2 GLU A 88 -8.631 -15.905 2.125 1.00 1.81 H new ATOM 0 HG3 GLU A 88 -8.777 -16.232 0.410 1.00 1.81 H new ATOM 2037 N PHE A 89 -7.547 -13.559 -1.898 1.00 0.78 N ATOM 2038 CA PHE A 89 -8.426 -13.200 -2.989 1.00 0.98 C ATOM 2039 C PHE A 89 -7.707 -13.291 -4.339 1.00 0.94 C ATOM 2040 O PHE A 89 -8.266 -12.941 -5.380 1.00 1.28 O ATOM 2041 CB PHE A 89 -9.052 -11.820 -2.733 1.00 1.19 C ATOM 2042 CG PHE A 89 -10.282 -11.921 -1.879 1.00 1.49 C ATOM 2043 CD1 PHE A 89 -10.177 -12.065 -0.503 1.00 2.23 C ATOM 2044 CD2 PHE A 89 -11.544 -11.898 -2.450 1.00 2.09 C ATOM 2045 CE1 PHE A 89 -11.303 -12.181 0.284 1.00 2.94 C ATOM 2046 CE2 PHE A 89 -12.676 -12.016 -1.666 1.00 2.74 C ATOM 2047 CZ PHE A 89 -12.557 -12.158 -0.298 1.00 3.02 C ATOM 0 H PHE A 89 -7.143 -12.761 -1.407 1.00 0.78 H new ATOM 0 HA PHE A 89 -9.243 -13.920 -3.038 1.00 0.98 H new ATOM 0 HB2 PHE A 89 -8.322 -11.174 -2.246 1.00 1.19 H new ATOM 0 HB3 PHE A 89 -9.306 -11.353 -3.685 1.00 1.19 H new ATOM 0 HD1 PHE A 89 -9.200 -12.086 -0.042 1.00 2.23 H new ATOM 0 HD2 PHE A 89 -11.644 -11.787 -3.520 1.00 2.09 H new ATOM 0 HE1 PHE A 89 -11.206 -12.290 1.354 1.00 2.94 H new ATOM 0 HE2 PHE A 89 -13.654 -11.997 -2.124 1.00 2.74 H new ATOM 0 HZ PHE A 89 -13.441 -12.251 0.316 1.00 3.02 H new ATOM 2057 N PHE A 90 -6.465 -13.777 -4.303 1.00 0.69 N ATOM 2058 CA PHE A 90 -5.715 -14.114 -5.514 1.00 0.84 C ATOM 2059 C PHE A 90 -6.481 -15.168 -6.298 1.00 1.24 C ATOM 2060 O PHE A 90 -6.776 -14.996 -7.485 1.00 1.57 O ATOM 2061 CB PHE A 90 -4.326 -14.659 -5.144 1.00 0.96 C ATOM 2062 CG PHE A 90 -3.379 -14.823 -6.304 1.00 1.08 C ATOM 2063 CD1 PHE A 90 -3.433 -15.947 -7.115 1.00 1.59 C ATOM 2064 CD2 PHE A 90 -2.419 -13.859 -6.571 1.00 1.75 C ATOM 2065 CE1 PHE A 90 -2.552 -16.103 -8.169 1.00 1.81 C ATOM 2066 CE2 PHE A 90 -1.533 -14.012 -7.623 1.00 1.92 C ATOM 2067 CZ PHE A 90 -1.602 -15.134 -8.422 1.00 1.59 C ATOM 0 H PHE A 90 -5.953 -13.947 -3.438 1.00 0.69 H new ATOM 0 HA PHE A 90 -5.591 -13.217 -6.120 1.00 0.84 H new ATOM 0 HB2 PHE A 90 -3.871 -13.989 -4.415 1.00 0.96 H new ATOM 0 HB3 PHE A 90 -4.449 -15.625 -4.655 1.00 0.96 H new ATOM 0 HD1 PHE A 90 -4.172 -16.710 -6.921 1.00 1.59 H new ATOM 0 HD2 PHE A 90 -2.362 -12.977 -5.950 1.00 1.75 H new ATOM 0 HE1 PHE A 90 -2.607 -16.982 -8.794 1.00 1.81 H new ATOM 0 HE2 PHE A 90 -0.789 -13.254 -7.818 1.00 1.92 H new ATOM 0 HZ PHE A 90 -0.913 -15.254 -9.245 1.00 1.59 H new ATOM 2077 N GLU A 91 -6.799 -16.263 -5.619 1.00 1.36 N ATOM 2078 CA GLU A 91 -7.604 -17.321 -6.205 1.00 1.84 C ATOM 2079 C GLU A 91 -9.050 -16.856 -6.322 1.00 1.99 C ATOM 2080 O GLU A 91 -9.755 -17.205 -7.268 1.00 2.44 O ATOM 2081 CB GLU A 91 -7.511 -18.590 -5.358 1.00 2.02 C ATOM 2082 CG GLU A 91 -6.098 -19.144 -5.253 1.00 2.25 C ATOM 2083 CD GLU A 91 -5.543 -19.599 -6.588 1.00 2.76 C ATOM 2084 OE1 GLU A 91 -4.957 -18.768 -7.314 1.00 3.28 O ATOM 2085 OE2 GLU A 91 -5.688 -20.793 -6.918 1.00 3.15 O ATOM 0 H GLU A 91 -6.509 -16.440 -4.657 1.00 1.36 H new ATOM 0 HA GLU A 91 -7.226 -17.551 -7.201 1.00 1.84 H new ATOM 0 HB2 GLU A 91 -7.885 -18.378 -4.357 1.00 2.02 H new ATOM 0 HB3 GLU A 91 -8.161 -19.353 -5.787 1.00 2.02 H new ATOM 0 HG2 GLU A 91 -5.443 -18.379 -4.834 1.00 2.25 H new ATOM 0 HG3 GLU A 91 -6.093 -19.983 -4.558 1.00 2.25 H new ATOM 2092 N GLY A 92 -9.476 -16.045 -5.362 1.00 1.77 N ATOM 2093 CA GLY A 92 -10.797 -15.449 -5.421 1.00 2.10 C ATOM 2094 C GLY A 92 -11.854 -16.305 -4.758 1.00 2.32 C ATOM 2095 O GLY A 92 -13.038 -16.191 -5.071 1.00 2.82 O ATOM 0 H GLY A 92 -8.928 -15.789 -4.541 1.00 1.77 H new ATOM 0 HA2 GLY A 92 -10.772 -14.472 -4.939 1.00 2.10 H new ATOM 0 HA3 GLY A 92 -11.070 -15.284 -6.463 1.00 2.10 H new ATOM 2099 N PHE A 93 -11.427 -17.170 -3.852 1.00 2.16 N ATOM 2100 CA PHE A 93 -12.332 -18.014 -3.119 1.00 2.47 C ATOM 2101 C PHE A 93 -12.561 -17.465 -1.718 1.00 2.93 C ATOM 2102 O PHE A 93 -11.672 -17.524 -0.870 1.00 3.33 O ATOM 2103 CB PHE A 93 -11.762 -19.424 -3.041 1.00 2.75 C ATOM 2104 CG PHE A 93 -11.836 -20.180 -4.338 1.00 3.31 C ATOM 2105 CD1 PHE A 93 -12.986 -20.869 -4.684 1.00 3.92 C ATOM 2106 CD2 PHE A 93 -10.757 -20.201 -5.207 1.00 3.95 C ATOM 2107 CE1 PHE A 93 -13.060 -21.567 -5.875 1.00 4.93 C ATOM 2108 CE2 PHE A 93 -10.825 -20.896 -6.400 1.00 4.95 C ATOM 2109 CZ PHE A 93 -11.978 -21.579 -6.735 1.00 5.37 C ATOM 0 H PHE A 93 -10.444 -17.300 -3.611 1.00 2.16 H new ATOM 0 HA PHE A 93 -13.290 -18.038 -3.638 1.00 2.47 H new ATOM 0 HB2 PHE A 93 -10.721 -19.368 -2.723 1.00 2.75 H new ATOM 0 HB3 PHE A 93 -12.300 -19.982 -2.275 1.00 2.75 H new ATOM 0 HD1 PHE A 93 -13.835 -20.861 -4.016 1.00 3.92 H new ATOM 0 HD2 PHE A 93 -9.853 -19.669 -4.950 1.00 3.95 H new ATOM 0 HE1 PHE A 93 -13.962 -22.102 -6.133 1.00 4.93 H new ATOM 0 HE2 PHE A 93 -9.978 -20.905 -7.069 1.00 4.95 H new ATOM 0 HZ PHE A 93 -12.034 -22.121 -7.667 1.00 5.37 H new ATOM 2119 N PRO A 94 -13.746 -16.899 -1.461 1.00 3.52 N ATOM 2120 CA PRO A 94 -14.107 -16.391 -0.149 1.00 4.40 C ATOM 2121 C PRO A 94 -14.682 -17.493 0.729 1.00 4.49 C ATOM 2122 O PRO A 94 -15.899 -17.628 0.852 1.00 4.82 O ATOM 2123 CB PRO A 94 -15.168 -15.321 -0.451 1.00 5.24 C ATOM 2124 CG PRO A 94 -15.464 -15.419 -1.921 1.00 4.98 C ATOM 2125 CD PRO A 94 -14.832 -16.692 -2.416 1.00 3.95 C ATOM 0 HA PRO A 94 -13.250 -15.996 0.397 1.00 4.40 H new ATOM 0 HB2 PRO A 94 -16.069 -15.490 0.139 1.00 5.24 H new ATOM 0 HB3 PRO A 94 -14.801 -14.327 -0.194 1.00 5.24 H new ATOM 0 HG2 PRO A 94 -16.540 -15.429 -2.097 1.00 4.98 H new ATOM 0 HG3 PRO A 94 -15.062 -14.557 -2.453 1.00 4.98 H new ATOM 0 HD2 PRO A 94 -15.538 -17.523 -2.414 1.00 3.95 H new ATOM 0 HD3 PRO A 94 -14.461 -16.591 -3.436 1.00 3.95 H new ATOM 2133 N ASP A 95 -13.786 -18.291 1.301 1.00 4.54 N ATOM 2134 CA ASP A 95 -14.150 -19.431 2.145 1.00 4.97 C ATOM 2135 C ASP A 95 -15.006 -20.433 1.387 1.00 4.96 C ATOM 2136 O ASP A 95 -16.230 -20.313 1.334 1.00 5.41 O ATOM 2137 CB ASP A 95 -14.885 -18.991 3.418 1.00 5.81 C ATOM 2138 CG ASP A 95 -13.996 -18.238 4.381 1.00 6.62 C ATOM 2139 OD1 ASP A 95 -13.293 -18.886 5.184 1.00 7.06 O ATOM 2140 OD2 ASP A 95 -13.999 -16.989 4.346 1.00 7.10 O ATOM 0 H ASP A 95 -12.779 -18.167 1.193 1.00 4.54 H new ATOM 0 HA ASP A 95 -13.214 -19.910 2.434 1.00 4.97 H new ATOM 0 HB2 ASP A 95 -15.731 -18.360 3.143 1.00 5.81 H new ATOM 0 HB3 ASP A 95 -15.292 -19.870 3.918 1.00 5.81 H new ATOM 2145 N LYS A 96 -14.364 -21.431 0.802 1.00 4.87 N ATOM 2146 CA LYS A 96 -15.087 -22.479 0.100 1.00 5.33 C ATOM 2147 C LYS A 96 -15.588 -23.512 1.109 1.00 5.99 C ATOM 2148 O LYS A 96 -15.259 -24.700 1.045 1.00 6.19 O ATOM 2149 CB LYS A 96 -14.201 -23.122 -0.973 1.00 5.44 C ATOM 2150 CG LYS A 96 -14.962 -24.014 -1.943 1.00 6.10 C ATOM 2151 CD LYS A 96 -14.080 -24.474 -3.093 1.00 6.48 C ATOM 2152 CE LYS A 96 -14.831 -25.405 -4.036 1.00 7.03 C ATOM 2153 NZ LYS A 96 -15.227 -26.670 -3.367 1.00 7.33 N ATOM 0 H LYS A 96 -13.350 -21.538 0.799 1.00 4.87 H new ATOM 0 HA LYS A 96 -15.948 -22.048 -0.410 1.00 5.33 H new ATOM 0 HB2 LYS A 96 -13.698 -22.335 -1.535 1.00 5.44 H new ATOM 0 HB3 LYS A 96 -13.424 -23.711 -0.485 1.00 5.44 H new ATOM 0 HG2 LYS A 96 -15.349 -24.883 -1.411 1.00 6.10 H new ATOM 0 HG3 LYS A 96 -15.822 -23.473 -2.338 1.00 6.10 H new ATOM 0 HD2 LYS A 96 -13.721 -23.607 -3.647 1.00 6.48 H new ATOM 0 HD3 LYS A 96 -13.203 -24.986 -2.698 1.00 6.48 H new ATOM 0 HE2 LYS A 96 -15.720 -24.900 -4.413 1.00 7.03 H new ATOM 0 HE3 LYS A 96 -14.204 -25.631 -4.898 1.00 7.03 H new ATOM 0 HZ1 LYS A 96 -15.518 -27.365 -4.084 1.00 7.33 H new ATOM 0 HZ2 LYS A 96 -14.420 -27.045 -2.828 1.00 7.33 H new ATOM 0 HZ3 LYS A 96 -16.021 -26.487 -2.720 1.00 7.33 H new ATOM 2167 N GLN A 97 -16.370 -23.025 2.063 1.00 6.62 N ATOM 2168 CA GLN A 97 -16.924 -23.856 3.120 1.00 7.47 C ATOM 2169 C GLN A 97 -18.215 -24.547 2.665 1.00 8.21 C ATOM 2170 O GLN A 97 -18.351 -25.755 2.850 1.00 8.51 O ATOM 2171 CB GLN A 97 -17.165 -23.022 4.385 1.00 8.07 C ATOM 2172 CG GLN A 97 -17.727 -23.816 5.553 1.00 8.68 C ATOM 2173 CD GLN A 97 -16.830 -24.965 5.969 1.00 9.30 C ATOM 2174 OE1 GLN A 97 -15.938 -24.802 6.801 1.00 9.68 O ATOM 2175 NE2 GLN A 97 -17.058 -26.136 5.395 1.00 9.64 N ATOM 0 H GLN A 97 -16.637 -22.043 2.125 1.00 6.62 H new ATOM 0 HA GLN A 97 -16.199 -24.636 3.354 1.00 7.47 H new ATOM 0 HB2 GLN A 97 -16.224 -22.564 4.690 1.00 8.07 H new ATOM 0 HB3 GLN A 97 -17.852 -22.210 4.147 1.00 8.07 H new ATOM 0 HG2 GLN A 97 -17.873 -23.149 6.403 1.00 8.68 H new ATOM 0 HG3 GLN A 97 -18.708 -24.207 5.282 1.00 8.68 H new ATOM 0 HE21 GLN A 97 -17.807 -26.231 4.710 1.00 9.64 H new ATOM 0 HE22 GLN A 97 -16.484 -26.944 5.638 1.00 9.64 H new ATOM 2184 N PRO A 98 -19.193 -23.806 2.086 1.00 8.78 N ATOM 2185 CA PRO A 98 -20.394 -24.425 1.518 1.00 9.71 C ATOM 2186 C PRO A 98 -20.036 -25.484 0.483 1.00 10.51 C ATOM 2187 O PRO A 98 -19.430 -25.182 -0.547 1.00 10.91 O ATOM 2188 CB PRO A 98 -21.131 -23.257 0.857 1.00 10.26 C ATOM 2189 CG PRO A 98 -20.658 -22.052 1.587 1.00 9.76 C ATOM 2190 CD PRO A 98 -19.230 -22.334 1.960 1.00 8.82 C ATOM 0 HA PRO A 98 -20.992 -24.936 2.273 1.00 9.71 H new ATOM 0 HB2 PRO A 98 -20.899 -23.193 -0.206 1.00 10.26 H new ATOM 0 HB3 PRO A 98 -22.212 -23.372 0.941 1.00 10.26 H new ATOM 0 HG2 PRO A 98 -20.730 -21.162 0.961 1.00 9.76 H new ATOM 0 HG3 PRO A 98 -21.265 -21.869 2.474 1.00 9.76 H new ATOM 0 HD2 PRO A 98 -18.538 -21.979 1.197 1.00 8.82 H new ATOM 0 HD3 PRO A 98 -18.954 -21.844 2.894 1.00 8.82 H new ATOM 2198 N ARG A 99 -20.387 -26.725 0.773 1.00 10.91 N ATOM 2199 CA ARG A 99 -20.041 -27.835 -0.097 1.00 11.80 C ATOM 2200 C ARG A 99 -21.252 -28.303 -0.888 1.00 12.49 C ATOM 2201 O ARG A 99 -22.385 -27.896 -0.617 1.00 13.03 O ATOM 2202 CB ARG A 99 -19.494 -29.007 0.720 1.00 12.07 C ATOM 2203 CG ARG A 99 -18.256 -28.681 1.536 1.00 12.32 C ATOM 2204 CD ARG A 99 -17.842 -29.866 2.386 1.00 12.98 C ATOM 2205 NE ARG A 99 -16.669 -29.578 3.210 1.00 13.45 N ATOM 2206 CZ ARG A 99 -16.252 -30.365 4.204 1.00 14.07 C ATOM 2207 NH1 ARG A 99 -16.923 -31.471 4.505 1.00 14.29 N ATOM 2208 NH2 ARG A 99 -15.163 -30.046 4.894 1.00 14.62 N ATOM 0 H ARG A 99 -20.913 -26.989 1.606 1.00 10.91 H new ATOM 0 HA ARG A 99 -19.276 -27.485 -0.790 1.00 11.80 H new ATOM 0 HB2 ARG A 99 -20.275 -29.360 1.393 1.00 12.07 H new ATOM 0 HB3 ARG A 99 -19.261 -29.829 0.043 1.00 12.07 H new ATOM 0 HG2 ARG A 99 -17.439 -28.403 0.870 1.00 12.32 H new ATOM 0 HG3 ARG A 99 -18.453 -27.821 2.175 1.00 12.32 H new ATOM 0 HD2 ARG A 99 -18.673 -30.156 3.030 1.00 12.98 H new ATOM 0 HD3 ARG A 99 -17.628 -30.717 1.739 1.00 12.98 H new ATOM 0 HE ARG A 99 -16.140 -28.728 3.014 1.00 13.45 H new ATOM 0 HH11 ARG A 99 -17.759 -31.720 3.976 1.00 14.29 H new ATOM 0 HH12 ARG A 99 -16.603 -32.071 5.265 1.00 14.29 H new ATOM 0 HH21 ARG A 99 -14.644 -29.198 4.665 1.00 14.62 H new ATOM 0 HH22 ARG A 99 -14.846 -30.649 5.653 1.00 14.62 H new ATOM 2222 N LYS A 100 -21.002 -29.145 -1.875 1.00 12.64 N ATOM 2223 CA LYS A 100 -22.071 -29.804 -2.601 1.00 13.44 C ATOM 2224 C LYS A 100 -22.374 -31.144 -1.950 1.00 14.06 C ATOM 2225 O LYS A 100 -21.566 -32.073 -2.014 1.00 14.46 O ATOM 2226 CB LYS A 100 -21.687 -30.014 -4.064 1.00 13.66 C ATOM 2227 CG LYS A 100 -21.485 -28.724 -4.842 1.00 13.92 C ATOM 2228 CD LYS A 100 -21.202 -29.007 -6.309 1.00 14.26 C ATOM 2229 CE LYS A 100 -22.337 -29.786 -6.959 1.00 15.02 C ATOM 2230 NZ LYS A 100 -23.593 -28.994 -7.028 1.00 15.75 N ATOM 0 H LYS A 100 -20.064 -29.389 -2.192 1.00 12.64 H new ATOM 0 HA LYS A 100 -22.957 -29.170 -2.568 1.00 13.44 H new ATOM 0 HB2 LYS A 100 -20.769 -30.600 -4.107 1.00 13.66 H new ATOM 0 HB3 LYS A 100 -22.464 -30.603 -4.552 1.00 13.66 H new ATOM 0 HG2 LYS A 100 -22.374 -28.100 -4.754 1.00 13.92 H new ATOM 0 HG3 LYS A 100 -20.657 -28.162 -4.411 1.00 13.92 H new ATOM 0 HD2 LYS A 100 -21.055 -28.066 -6.840 1.00 14.26 H new ATOM 0 HD3 LYS A 100 -20.274 -29.572 -6.399 1.00 14.26 H new ATOM 0 HE2 LYS A 100 -22.042 -30.084 -7.965 1.00 15.02 H new ATOM 0 HE3 LYS A 100 -22.517 -30.701 -6.395 1.00 15.02 H new ATOM 0 HZ1 LYS A 100 -24.313 -29.530 -7.552 1.00 15.75 H new ATOM 0 HZ2 LYS A 100 -23.936 -28.803 -6.065 1.00 15.75 H new ATOM 0 HZ3 LYS A 100 -23.409 -28.094 -7.515 1.00 15.75 H new ATOM 2244 N LYS A 101 -23.516 -31.232 -1.291 1.00 14.28 N ATOM 2245 CA LYS A 101 -23.911 -32.459 -0.625 1.00 15.00 C ATOM 2246 C LYS A 101 -25.237 -32.949 -1.187 1.00 15.28 C ATOM 2247 O LYS A 101 -26.291 -32.421 -0.777 1.00 15.57 O ATOM 2248 CB LYS A 101 -24.016 -32.242 0.887 1.00 15.30 C ATOM 2249 CG LYS A 101 -24.149 -33.531 1.681 1.00 15.68 C ATOM 2250 CD LYS A 101 -22.961 -34.448 1.439 1.00 15.85 C ATOM 2251 CE LYS A 101 -23.047 -35.719 2.265 1.00 16.60 C ATOM 2252 NZ LYS A 101 -21.920 -36.641 1.970 1.00 17.06 N ATOM 2253 OXT LYS A 101 -25.221 -33.849 -2.047 1.00 15.35 O ATOM 0 H LYS A 101 -24.186 -30.468 -1.203 1.00 14.28 H new ATOM 0 HA LYS A 101 -23.149 -33.217 -0.806 1.00 15.00 H new ATOM 0 HB2 LYS A 101 -23.132 -31.704 1.230 1.00 15.30 H new ATOM 0 HB3 LYS A 101 -24.877 -31.607 1.095 1.00 15.30 H new ATOM 0 HG2 LYS A 101 -24.224 -33.301 2.744 1.00 15.68 H new ATOM 0 HG3 LYS A 101 -25.070 -34.042 1.400 1.00 15.68 H new ATOM 0 HD2 LYS A 101 -22.911 -34.706 0.381 1.00 15.85 H new ATOM 0 HD3 LYS A 101 -22.039 -33.919 1.682 1.00 15.85 H new ATOM 0 HE2 LYS A 101 -23.042 -35.466 3.325 1.00 16.60 H new ATOM 0 HE3 LYS A 101 -23.992 -36.222 2.062 1.00 16.60 H new ATOM 0 HZ1 LYS A 101 -22.011 -37.498 2.552 1.00 17.06 H new ATOM 0 HZ2 LYS A 101 -21.940 -36.902 0.964 1.00 17.06 H new ATOM 0 HZ3 LYS A 101 -21.019 -36.169 2.188 1.00 17.06 H new TER 2267 LYS A 101 ATOM 2268 N MET B 1 -2.464 0.684 -21.179 1.00 1.49 N ATOM 2269 CA MET B 1 -3.028 1.227 -19.922 1.00 0.60 C ATOM 2270 C MET B 1 -3.797 0.142 -19.186 1.00 0.49 C ATOM 2271 O MET B 1 -4.722 -0.457 -19.736 1.00 0.58 O ATOM 2272 CB MET B 1 -3.952 2.412 -20.219 1.00 1.30 C ATOM 2273 CG MET B 1 -3.234 3.615 -20.811 1.00 1.88 C ATOM 2274 SD MET B 1 -4.366 4.936 -21.286 1.00 2.89 S ATOM 2275 CE MET B 1 -5.357 4.096 -22.521 1.00 3.54 C ATOM 0 H1 MET B 1 -1.742 1.336 -21.546 1.00 1.49 H new ATOM 0 H2 MET B 1 -2.031 -0.243 -20.993 1.00 1.49 H new ATOM 0 H3 MET B 1 -3.223 0.577 -21.882 1.00 1.49 H new ATOM 0 HA MET B 1 -2.208 1.573 -19.293 1.00 0.60 H new ATOM 0 HB2 MET B 1 -4.731 2.089 -20.909 1.00 1.30 H new ATOM 0 HB3 MET B 1 -4.448 2.714 -19.297 1.00 1.30 H new ATOM 0 HG2 MET B 1 -2.518 3.999 -20.085 1.00 1.88 H new ATOM 0 HG3 MET B 1 -2.664 3.299 -21.685 1.00 1.88 H new ATOM 0 HE1 MET B 1 -5.877 4.833 -23.133 1.00 3.54 H new ATOM 0 HE2 MET B 1 -4.711 3.489 -23.155 1.00 3.54 H new ATOM 0 HE3 MET B 1 -6.086 3.454 -22.027 1.00 3.54 H new ATOM 2285 N ALA B 2 -3.409 -0.111 -17.947 1.00 0.34 N ATOM 2286 CA ALA B 2 -4.027 -1.152 -17.146 1.00 0.30 C ATOM 2287 C ALA B 2 -5.016 -0.531 -16.176 1.00 0.27 C ATOM 2288 O ALA B 2 -5.067 0.691 -16.046 1.00 0.36 O ATOM 2289 CB ALA B 2 -2.953 -1.929 -16.399 1.00 0.30 C ATOM 0 H ALA B 2 -2.662 0.396 -17.472 1.00 0.34 H new ATOM 0 HA ALA B 2 -4.566 -1.843 -17.795 1.00 0.30 H new ATOM 0 HB1 ALA B 2 -3.420 -2.710 -15.799 1.00 0.30 H new ATOM 0 HB2 ALA B 2 -2.268 -2.383 -17.115 1.00 0.30 H new ATOM 0 HB3 ALA B 2 -2.401 -1.252 -15.748 1.00 0.30 H new ATOM 2295 N CYS B 3 -5.805 -1.360 -15.508 1.00 0.25 N ATOM 2296 CA CYS B 3 -6.692 -0.889 -14.464 1.00 0.23 C ATOM 2297 C CYS B 3 -5.851 -0.503 -13.258 1.00 0.17 C ATOM 2298 O CYS B 3 -5.343 -1.366 -12.544 1.00 0.17 O ATOM 2299 CB CYS B 3 -7.712 -1.966 -14.103 1.00 0.28 C ATOM 2300 SG CYS B 3 -8.702 -2.535 -15.506 1.00 0.39 S ATOM 0 H CYS B 3 -5.846 -2.366 -15.674 1.00 0.25 H new ATOM 0 HA CYS B 3 -7.249 -0.019 -14.810 1.00 0.23 H new ATOM 0 HB2 CYS B 3 -7.188 -2.819 -13.670 1.00 0.28 H new ATOM 0 HB3 CYS B 3 -8.379 -1.578 -13.333 1.00 0.28 H new ATOM 0 HG CYS B 3 -9.537 -3.448 -15.106 1.00 0.39 H new ATOM 2306 N PRO B 4 -5.686 0.806 -13.041 1.00 0.16 N ATOM 2307 CA PRO B 4 -4.695 1.356 -12.106 1.00 0.13 C ATOM 2308 C PRO B 4 -4.745 0.740 -10.713 1.00 0.12 C ATOM 2309 O PRO B 4 -3.789 0.098 -10.272 1.00 0.12 O ATOM 2310 CB PRO B 4 -5.092 2.826 -12.044 1.00 0.17 C ATOM 2311 CG PRO B 4 -5.670 3.100 -13.381 1.00 0.20 C ATOM 2312 CD PRO B 4 -6.464 1.874 -13.701 1.00 0.20 C ATOM 0 HA PRO B 4 -3.676 1.160 -12.441 1.00 0.13 H new ATOM 0 HB2 PRO B 4 -5.817 3.010 -11.251 1.00 0.17 H new ATOM 0 HB3 PRO B 4 -4.231 3.464 -11.843 1.00 0.17 H new ATOM 0 HG2 PRO B 4 -6.300 3.989 -13.367 1.00 0.20 H new ATOM 0 HG3 PRO B 4 -4.891 3.274 -14.123 1.00 0.20 H new ATOM 0 HD2 PRO B 4 -7.480 1.936 -13.311 1.00 0.20 H new ATOM 0 HD3 PRO B 4 -6.544 1.712 -14.776 1.00 0.20 H new ATOM 2320 N LEU B 5 -5.868 0.910 -10.034 1.00 0.13 N ATOM 2321 CA LEU B 5 -5.998 0.444 -8.663 1.00 0.14 C ATOM 2322 C LEU B 5 -6.116 -1.077 -8.630 1.00 0.16 C ATOM 2323 O LEU B 5 -5.705 -1.718 -7.670 1.00 0.22 O ATOM 2324 CB LEU B 5 -7.214 1.100 -8.002 1.00 0.15 C ATOM 2325 CG LEU B 5 -6.987 1.666 -6.597 1.00 0.16 C ATOM 2326 CD1 LEU B 5 -6.692 0.560 -5.618 1.00 0.18 C ATOM 2327 CD2 LEU B 5 -5.859 2.678 -6.587 1.00 0.17 C ATOM 0 H LEU B 5 -6.700 1.366 -10.408 1.00 0.13 H new ATOM 0 HA LEU B 5 -5.106 0.727 -8.104 1.00 0.14 H new ATOM 0 HB2 LEU B 5 -7.562 1.907 -8.646 1.00 0.15 H new ATOM 0 HB3 LEU B 5 -8.017 0.364 -7.951 1.00 0.15 H new ATOM 0 HG LEU B 5 -7.904 2.171 -6.295 1.00 0.16 H new ATOM 0 HD11 LEU B 5 -6.534 0.984 -4.626 1.00 0.18 H new ATOM 0 HD12 LEU B 5 -7.533 -0.132 -5.587 1.00 0.18 H new ATOM 0 HD13 LEU B 5 -5.795 0.026 -5.931 1.00 0.18 H new ATOM 0 HD21 LEU B 5 -5.723 3.061 -5.576 1.00 0.17 H new ATOM 0 HD22 LEU B 5 -4.938 2.200 -6.921 1.00 0.17 H new ATOM 0 HD23 LEU B 5 -6.104 3.502 -7.257 1.00 0.17 H new ATOM 2339 N GLU B 6 -6.653 -1.648 -9.702 1.00 0.16 N ATOM 2340 CA GLU B 6 -6.801 -3.095 -9.807 1.00 0.20 C ATOM 2341 C GLU B 6 -5.428 -3.756 -9.822 1.00 0.18 C ATOM 2342 O GLU B 6 -5.179 -4.722 -9.099 1.00 0.23 O ATOM 2343 CB GLU B 6 -7.594 -3.445 -11.074 1.00 0.29 C ATOM 2344 CG GLU B 6 -8.085 -4.889 -11.151 1.00 0.43 C ATOM 2345 CD GLU B 6 -7.008 -5.875 -11.560 1.00 0.90 C ATOM 2346 OE1 GLU B 6 -6.167 -5.519 -12.412 1.00 1.79 O ATOM 2347 OE2 GLU B 6 -7.003 -7.014 -11.038 1.00 1.39 O ATOM 0 H GLU B 6 -6.994 -1.130 -10.512 1.00 0.16 H new ATOM 0 HA GLU B 6 -7.351 -3.469 -8.943 1.00 0.20 H new ATOM 0 HB2 GLU B 6 -8.455 -2.780 -11.140 1.00 0.29 H new ATOM 0 HB3 GLU B 6 -6.968 -3.243 -11.943 1.00 0.29 H new ATOM 0 HG2 GLU B 6 -8.483 -5.181 -10.179 1.00 0.43 H new ATOM 0 HG3 GLU B 6 -8.908 -4.947 -11.863 1.00 0.43 H new ATOM 2354 N LYS B 7 -4.533 -3.214 -10.641 1.00 0.16 N ATOM 2355 CA LYS B 7 -3.180 -3.728 -10.740 1.00 0.18 C ATOM 2356 C LYS B 7 -2.424 -3.535 -9.433 1.00 0.17 C ATOM 2357 O LYS B 7 -1.655 -4.398 -9.042 1.00 0.19 O ATOM 2358 CB LYS B 7 -2.432 -3.054 -11.899 1.00 0.25 C ATOM 2359 CG LYS B 7 -2.890 -3.512 -13.277 1.00 0.41 C ATOM 2360 CD LYS B 7 -2.135 -4.748 -13.754 1.00 0.90 C ATOM 2361 CE LYS B 7 -2.473 -5.992 -12.944 1.00 0.84 C ATOM 2362 NZ LYS B 7 -3.863 -6.460 -13.179 1.00 1.18 N ATOM 0 H LYS B 7 -4.725 -2.416 -11.246 1.00 0.16 H new ATOM 0 HA LYS B 7 -3.240 -4.798 -10.940 1.00 0.18 H new ATOM 0 HB2 LYS B 7 -2.562 -1.974 -11.824 1.00 0.25 H new ATOM 0 HB3 LYS B 7 -1.366 -3.254 -11.796 1.00 0.25 H new ATOM 0 HG2 LYS B 7 -3.958 -3.729 -13.249 1.00 0.41 H new ATOM 0 HG3 LYS B 7 -2.747 -2.703 -13.993 1.00 0.41 H new ATOM 0 HD2 LYS B 7 -2.368 -4.928 -14.803 1.00 0.90 H new ATOM 0 HD3 LYS B 7 -1.063 -4.560 -13.693 1.00 0.90 H new ATOM 0 HE2 LYS B 7 -1.776 -6.790 -13.200 1.00 0.84 H new ATOM 0 HE3 LYS B 7 -2.338 -5.779 -11.883 1.00 0.84 H new ATOM 0 HZ1 LYS B 7 -3.934 -7.471 -12.944 1.00 1.18 H new ATOM 0 HZ2 LYS B 7 -4.518 -5.918 -12.579 1.00 1.18 H new ATOM 0 HZ3 LYS B 7 -4.112 -6.319 -14.179 1.00 1.18 H new ATOM 2376 N ALA B 8 -2.670 -2.416 -8.757 1.00 0.17 N ATOM 2377 CA ALA B 8 -1.981 -2.091 -7.504 1.00 0.17 C ATOM 2378 C ALA B 8 -1.942 -3.276 -6.535 1.00 0.17 C ATOM 2379 O ALA B 8 -0.865 -3.687 -6.105 1.00 0.22 O ATOM 2380 CB ALA B 8 -2.634 -0.888 -6.840 1.00 0.18 C ATOM 0 H ALA B 8 -3.345 -1.713 -9.056 1.00 0.17 H new ATOM 0 HA ALA B 8 -0.949 -1.849 -7.758 1.00 0.17 H new ATOM 0 HB1 ALA B 8 -2.113 -0.658 -5.911 1.00 0.18 H new ATOM 0 HB2 ALA B 8 -2.580 -0.029 -7.509 1.00 0.18 H new ATOM 0 HB3 ALA B 8 -3.678 -1.114 -6.624 1.00 0.18 H new ATOM 2386 N LEU B 9 -3.103 -3.837 -6.207 1.00 0.13 N ATOM 2387 CA LEU B 9 -3.160 -4.955 -5.263 1.00 0.12 C ATOM 2388 C LEU B 9 -2.668 -6.239 -5.920 1.00 0.14 C ATOM 2389 O LEU B 9 -1.965 -7.040 -5.301 1.00 0.18 O ATOM 2390 CB LEU B 9 -4.581 -5.176 -4.719 1.00 0.13 C ATOM 2391 CG LEU B 9 -5.218 -3.996 -3.976 1.00 0.13 C ATOM 2392 CD1 LEU B 9 -4.218 -3.344 -3.051 1.00 0.15 C ATOM 2393 CD2 LEU B 9 -5.789 -2.973 -4.937 1.00 0.13 C ATOM 0 H LEU B 9 -4.008 -3.542 -6.574 1.00 0.13 H new ATOM 0 HA LEU B 9 -2.509 -4.697 -4.428 1.00 0.12 H new ATOM 0 HB2 LEU B 9 -5.229 -5.444 -5.554 1.00 0.13 H new ATOM 0 HB3 LEU B 9 -4.559 -6.032 -4.045 1.00 0.13 H new ATOM 0 HG LEU B 9 -6.041 -4.392 -3.381 1.00 0.13 H new ATOM 0 HD11 LEU B 9 -4.691 -2.509 -2.534 1.00 0.15 H new ATOM 0 HD12 LEU B 9 -3.870 -4.073 -2.320 1.00 0.15 H new ATOM 0 HD13 LEU B 9 -3.371 -2.978 -3.631 1.00 0.15 H new ATOM 0 HD21 LEU B 9 -6.232 -2.152 -4.373 1.00 0.13 H new ATOM 0 HD22 LEU B 9 -4.993 -2.588 -5.574 1.00 0.13 H new ATOM 0 HD23 LEU B 9 -6.554 -3.442 -5.556 1.00 0.13 H new ATOM 2405 N ASP B 10 -3.040 -6.415 -7.179 1.00 0.14 N ATOM 2406 CA ASP B 10 -2.673 -7.603 -7.947 1.00 0.16 C ATOM 2407 C ASP B 10 -1.158 -7.770 -8.015 1.00 0.15 C ATOM 2408 O ASP B 10 -0.626 -8.854 -7.772 1.00 0.19 O ATOM 2409 CB ASP B 10 -3.251 -7.487 -9.362 1.00 0.20 C ATOM 2410 CG ASP B 10 -2.908 -8.663 -10.254 1.00 0.51 C ATOM 2411 OD1 ASP B 10 -1.812 -8.668 -10.853 1.00 1.19 O ATOM 2412 OD2 ASP B 10 -3.754 -9.570 -10.392 1.00 1.22 O ATOM 0 H ASP B 10 -3.603 -5.742 -7.699 1.00 0.14 H new ATOM 0 HA ASP B 10 -3.084 -8.481 -7.449 1.00 0.16 H new ATOM 0 HB2 ASP B 10 -4.335 -7.395 -9.297 1.00 0.20 H new ATOM 0 HB3 ASP B 10 -2.881 -6.571 -9.823 1.00 0.20 H new ATOM 2417 N VAL B 11 -0.471 -6.682 -8.319 1.00 0.15 N ATOM 2418 CA VAL B 11 0.969 -6.718 -8.503 1.00 0.16 C ATOM 2419 C VAL B 11 1.700 -6.823 -7.171 1.00 0.16 C ATOM 2420 O VAL B 11 2.847 -7.244 -7.130 1.00 0.20 O ATOM 2421 CB VAL B 11 1.474 -5.485 -9.270 1.00 0.18 C ATOM 2422 CG1 VAL B 11 0.709 -5.332 -10.576 1.00 0.21 C ATOM 2423 CG2 VAL B 11 1.364 -4.227 -8.420 1.00 0.17 C ATOM 0 H VAL B 11 -0.889 -5.760 -8.444 1.00 0.15 H new ATOM 0 HA VAL B 11 1.184 -7.609 -9.093 1.00 0.16 H new ATOM 0 HB VAL B 11 2.529 -5.631 -9.502 1.00 0.18 H new ATOM 0 HG11 VAL B 11 1.075 -4.456 -11.111 1.00 0.21 H new ATOM 0 HG12 VAL B 11 0.857 -6.220 -11.190 1.00 0.21 H new ATOM 0 HG13 VAL B 11 -0.353 -5.210 -10.363 1.00 0.21 H new ATOM 0 HG21 VAL B 11 1.728 -3.371 -8.988 1.00 0.17 H new ATOM 0 HG22 VAL B 11 0.322 -4.063 -8.145 1.00 0.17 H new ATOM 0 HG23 VAL B 11 1.963 -4.345 -7.517 1.00 0.17 H new ATOM 2433 N MET B 12 1.035 -6.444 -6.088 1.00 0.16 N ATOM 2434 CA MET B 12 1.610 -6.579 -4.755 1.00 0.20 C ATOM 2435 C MET B 12 1.980 -8.033 -4.484 1.00 0.23 C ATOM 2436 O MET B 12 3.147 -8.350 -4.270 1.00 0.39 O ATOM 2437 CB MET B 12 0.630 -6.062 -3.709 1.00 0.27 C ATOM 2438 CG MET B 12 0.647 -4.547 -3.578 1.00 0.16 C ATOM 2439 SD MET B 12 -0.802 -3.906 -2.724 1.00 0.78 S ATOM 2440 CE MET B 12 -0.253 -2.268 -2.274 1.00 0.19 C ATOM 0 H MET B 12 0.098 -6.041 -6.105 1.00 0.16 H new ATOM 0 HA MET B 12 2.520 -5.982 -4.698 1.00 0.20 H new ATOM 0 HB2 MET B 12 -0.377 -6.388 -3.970 1.00 0.27 H new ATOM 0 HB3 MET B 12 0.869 -6.508 -2.743 1.00 0.27 H new ATOM 0 HG2 MET B 12 1.545 -4.243 -3.040 1.00 0.16 H new ATOM 0 HG3 MET B 12 0.705 -4.101 -4.571 1.00 0.16 H new ATOM 0 HE1 MET B 12 -1.072 -1.727 -1.801 1.00 0.19 H new ATOM 0 HE2 MET B 12 0.583 -2.343 -1.578 1.00 0.19 H new ATOM 0 HE3 MET B 12 0.066 -1.733 -3.168 1.00 0.19 H new ATOM 2450 N VAL B 13 0.995 -8.921 -4.555 1.00 0.18 N ATOM 2451 CA VAL B 13 1.236 -10.338 -4.303 1.00 0.19 C ATOM 2452 C VAL B 13 1.897 -11.018 -5.509 1.00 0.19 C ATOM 2453 O VAL B 13 2.497 -12.085 -5.380 1.00 0.25 O ATOM 2454 CB VAL B 13 -0.061 -11.090 -3.940 1.00 0.20 C ATOM 2455 CG1 VAL B 13 -0.611 -10.587 -2.622 1.00 0.21 C ATOM 2456 CG2 VAL B 13 -1.101 -10.960 -5.037 1.00 0.22 C ATOM 0 H VAL B 13 0.029 -8.688 -4.783 1.00 0.18 H new ATOM 0 HA VAL B 13 1.914 -10.385 -3.451 1.00 0.19 H new ATOM 0 HB VAL B 13 0.182 -12.148 -3.837 1.00 0.20 H new ATOM 0 HG11 VAL B 13 -1.526 -11.127 -2.380 1.00 0.21 H new ATOM 0 HG12 VAL B 13 0.125 -10.749 -1.835 1.00 0.21 H new ATOM 0 HG13 VAL B 13 -0.829 -9.522 -2.701 1.00 0.21 H new ATOM 0 HG21 VAL B 13 -2.002 -11.501 -4.750 1.00 0.22 H new ATOM 0 HG22 VAL B 13 -1.342 -9.908 -5.187 1.00 0.22 H new ATOM 0 HG23 VAL B 13 -0.707 -11.378 -5.963 1.00 0.22 H new ATOM 2466 N SER B 14 1.783 -10.397 -6.677 1.00 0.18 N ATOM 2467 CA SER B 14 2.386 -10.932 -7.891 1.00 0.21 C ATOM 2468 C SER B 14 3.898 -10.708 -7.878 1.00 0.23 C ATOM 2469 O SER B 14 4.678 -11.654 -8.020 1.00 0.26 O ATOM 2470 CB SER B 14 1.760 -10.274 -9.126 1.00 0.23 C ATOM 2471 OG SER B 14 2.255 -10.837 -10.326 1.00 1.12 O ATOM 0 H SER B 14 1.278 -9.521 -6.809 1.00 0.18 H new ATOM 0 HA SER B 14 2.196 -12.005 -7.932 1.00 0.21 H new ATOM 0 HB2 SER B 14 0.677 -10.389 -9.090 1.00 0.23 H new ATOM 0 HB3 SER B 14 1.968 -9.204 -9.113 1.00 0.23 H new ATOM 0 HG SER B 14 1.834 -10.395 -11.093 1.00 1.12 H new ATOM 2477 N THR B 15 4.302 -9.456 -7.680 1.00 0.24 N ATOM 2478 CA THR B 15 5.711 -9.092 -7.635 1.00 0.26 C ATOM 2479 C THR B 15 6.397 -9.782 -6.455 1.00 0.28 C ATOM 2480 O THR B 15 7.609 -10.006 -6.467 1.00 0.31 O ATOM 2481 CB THR B 15 5.873 -7.558 -7.541 1.00 0.27 C ATOM 2482 OG1 THR B 15 5.022 -6.930 -8.508 1.00 0.33 O ATOM 2483 CG2 THR B 15 7.306 -7.126 -7.801 1.00 0.25 C ATOM 0 H THR B 15 3.664 -8.671 -7.547 1.00 0.24 H new ATOM 0 HA THR B 15 6.187 -9.427 -8.556 1.00 0.26 H new ATOM 0 HB THR B 15 5.600 -7.257 -6.530 1.00 0.27 H new ATOM 0 HG1 THR B 15 4.116 -6.849 -8.143 1.00 0.33 H new ATOM 0 HG21 THR B 15 7.378 -6.041 -7.726 1.00 0.25 H new ATOM 0 HG22 THR B 15 7.964 -7.585 -7.063 1.00 0.25 H new ATOM 0 HG23 THR B 15 7.605 -7.441 -8.801 1.00 0.25 H new ATOM 2491 N PHE B 16 5.600 -10.133 -5.443 1.00 0.30 N ATOM 2492 CA PHE B 16 6.058 -10.987 -4.353 1.00 0.36 C ATOM 2493 C PHE B 16 6.709 -12.246 -4.911 1.00 0.40 C ATOM 2494 O PHE B 16 7.928 -12.402 -4.867 1.00 0.51 O ATOM 2495 CB PHE B 16 4.880 -11.401 -3.471 1.00 0.44 C ATOM 2496 CG PHE B 16 4.853 -10.768 -2.116 1.00 0.34 C ATOM 2497 CD1 PHE B 16 5.735 -11.171 -1.132 1.00 1.27 C ATOM 2498 CD2 PHE B 16 3.927 -9.789 -1.818 1.00 1.21 C ATOM 2499 CE1 PHE B 16 5.694 -10.606 0.126 1.00 1.42 C ATOM 2500 CE2 PHE B 16 3.884 -9.220 -0.567 1.00 1.38 C ATOM 2501 CZ PHE B 16 4.768 -9.630 0.409 1.00 0.97 C ATOM 0 H PHE B 16 4.628 -9.835 -5.359 1.00 0.30 H new ATOM 0 HA PHE B 16 6.781 -10.424 -3.763 1.00 0.36 H new ATOM 0 HB2 PHE B 16 3.953 -11.155 -3.989 1.00 0.44 H new ATOM 0 HB3 PHE B 16 4.899 -12.484 -3.349 1.00 0.44 H new ATOM 0 HD1 PHE B 16 6.465 -11.937 -1.350 1.00 1.27 H new ATOM 0 HD2 PHE B 16 3.228 -9.466 -2.576 1.00 1.21 H new ATOM 0 HE1 PHE B 16 6.388 -10.930 0.887 1.00 1.42 H new ATOM 0 HE2 PHE B 16 3.157 -8.451 -0.349 1.00 1.38 H new ATOM 0 HZ PHE B 16 4.733 -9.186 1.393 1.00 0.97 H new ATOM 2511 N HIS B 17 5.878 -13.121 -5.477 1.00 0.41 N ATOM 2512 CA HIS B 17 6.343 -14.377 -6.070 1.00 0.51 C ATOM 2513 C HIS B 17 7.422 -14.118 -7.118 1.00 0.45 C ATOM 2514 O HIS B 17 8.335 -14.923 -7.303 1.00 0.51 O ATOM 2515 CB HIS B 17 5.174 -15.125 -6.727 1.00 0.68 C ATOM 2516 CG HIS B 17 4.191 -15.717 -5.762 1.00 1.09 C ATOM 2517 ND1 HIS B 17 4.013 -17.075 -5.613 1.00 2.16 N ATOM 2518 CD2 HIS B 17 3.318 -15.131 -4.907 1.00 1.26 C ATOM 2519 CE1 HIS B 17 3.075 -17.297 -4.710 1.00 2.82 C ATOM 2520 NE2 HIS B 17 2.638 -16.135 -4.264 1.00 2.30 N ATOM 0 H HIS B 17 4.869 -12.982 -5.538 1.00 0.41 H new ATOM 0 HA HIS B 17 6.763 -14.986 -5.269 1.00 0.51 H new ATOM 0 HB2 HIS B 17 4.646 -14.438 -7.388 1.00 0.68 H new ATOM 0 HB3 HIS B 17 5.576 -15.923 -7.352 1.00 0.68 H new ATOM 0 HD2 HIS B 17 3.182 -14.070 -4.759 1.00 1.26 H new ATOM 0 HE1 HIS B 17 2.725 -18.267 -4.390 1.00 2.82 H new ATOM 0 HE2 HIS B 17 1.914 -16.004 -3.558 1.00 2.30 H new ATOM 2529 N LYS B 18 7.306 -12.976 -7.776 1.00 0.42 N ATOM 2530 CA LYS B 18 8.194 -12.593 -8.864 1.00 0.46 C ATOM 2531 C LYS B 18 9.646 -12.422 -8.391 1.00 0.45 C ATOM 2532 O LYS B 18 10.580 -12.765 -9.115 1.00 0.62 O ATOM 2533 CB LYS B 18 7.670 -11.292 -9.480 1.00 0.55 C ATOM 2534 CG LYS B 18 8.332 -10.881 -10.784 1.00 0.76 C ATOM 2535 CD LYS B 18 7.752 -9.575 -11.286 1.00 0.71 C ATOM 2536 CE LYS B 18 8.393 -9.143 -12.586 1.00 1.40 C ATOM 2537 NZ LYS B 18 8.032 -10.041 -13.716 1.00 1.67 N ATOM 0 H LYS B 18 6.587 -12.282 -7.569 1.00 0.42 H new ATOM 0 HA LYS B 18 8.202 -13.389 -9.609 1.00 0.46 H new ATOM 0 HB2 LYS B 18 6.599 -11.396 -9.652 1.00 0.55 H new ATOM 0 HB3 LYS B 18 7.800 -10.488 -8.756 1.00 0.55 H new ATOM 0 HG2 LYS B 18 9.407 -10.775 -10.635 1.00 0.76 H new ATOM 0 HG3 LYS B 18 8.189 -11.660 -11.532 1.00 0.76 H new ATOM 0 HD2 LYS B 18 6.677 -9.685 -11.429 1.00 0.71 H new ATOM 0 HD3 LYS B 18 7.896 -8.800 -10.534 1.00 0.71 H new ATOM 0 HE2 LYS B 18 8.084 -8.124 -12.821 1.00 1.40 H new ATOM 0 HE3 LYS B 18 9.476 -9.128 -12.468 1.00 1.40 H new ATOM 0 HZ1 LYS B 18 8.365 -9.626 -14.609 1.00 1.67 H new ATOM 0 HZ2 LYS B 18 8.479 -10.970 -13.578 1.00 1.67 H new ATOM 0 HZ3 LYS B 18 6.999 -10.156 -13.752 1.00 1.67 H new ATOM 2551 N TYR B 19 9.839 -11.898 -7.181 1.00 0.39 N ATOM 2552 CA TYR B 19 11.193 -11.631 -6.678 1.00 0.43 C ATOM 2553 C TYR B 19 11.509 -12.384 -5.391 1.00 0.50 C ATOM 2554 O TYR B 19 12.552 -13.011 -5.298 1.00 0.74 O ATOM 2555 CB TYR B 19 11.404 -10.131 -6.464 1.00 0.46 C ATOM 2556 CG TYR B 19 11.467 -9.344 -7.752 1.00 0.41 C ATOM 2557 CD1 TYR B 19 12.671 -9.166 -8.419 1.00 1.17 C ATOM 2558 CD2 TYR B 19 10.324 -8.792 -8.306 1.00 1.17 C ATOM 2559 CE1 TYR B 19 12.733 -8.456 -9.603 1.00 1.17 C ATOM 2560 CE2 TYR B 19 10.374 -8.086 -9.489 1.00 1.21 C ATOM 2561 CZ TYR B 19 11.578 -7.919 -10.134 1.00 0.50 C ATOM 2562 OH TYR B 19 11.626 -7.221 -11.317 1.00 0.61 O ATOM 0 H TYR B 19 9.088 -11.652 -6.536 1.00 0.39 H new ATOM 0 HA TYR B 19 11.880 -11.994 -7.443 1.00 0.43 H new ATOM 0 HB2 TYR B 19 10.593 -9.742 -5.848 1.00 0.46 H new ATOM 0 HB3 TYR B 19 12.329 -9.977 -5.907 1.00 0.46 H new ATOM 0 HD1 TYR B 19 13.575 -9.589 -8.006 1.00 1.17 H new ATOM 0 HD2 TYR B 19 9.377 -8.917 -7.802 1.00 1.17 H new ATOM 0 HE1 TYR B 19 13.678 -8.322 -10.109 1.00 1.17 H new ATOM 0 HE2 TYR B 19 9.472 -7.666 -9.908 1.00 1.21 H new ATOM 0 HH TYR B 19 10.874 -6.594 -11.358 1.00 0.61 H new ATOM 2572 N SER B 20 10.622 -12.329 -4.403 1.00 0.41 N ATOM 2573 CA SER B 20 10.910 -12.936 -3.102 1.00 0.48 C ATOM 2574 C SER B 20 11.071 -14.446 -3.223 1.00 0.57 C ATOM 2575 O SER B 20 11.811 -15.068 -2.459 1.00 0.70 O ATOM 2576 CB SER B 20 9.816 -12.603 -2.087 1.00 0.49 C ATOM 2577 OG SER B 20 8.556 -13.094 -2.494 1.00 0.53 O ATOM 0 H SER B 20 9.710 -11.878 -4.472 1.00 0.41 H new ATOM 0 HA SER B 20 11.852 -12.517 -2.747 1.00 0.48 H new ATOM 0 HB2 SER B 20 10.077 -13.030 -1.118 1.00 0.49 H new ATOM 0 HB3 SER B 20 9.760 -11.523 -1.955 1.00 0.49 H new ATOM 0 HG SER B 20 8.501 -13.082 -3.472 1.00 0.53 H new ATOM 2583 N GLY B 21 10.394 -15.026 -4.209 1.00 0.57 N ATOM 2584 CA GLY B 21 10.476 -16.452 -4.429 1.00 0.68 C ATOM 2585 C GLY B 21 11.751 -16.849 -5.138 1.00 0.71 C ATOM 2586 O GLY B 21 11.890 -17.986 -5.589 1.00 0.86 O ATOM 0 H GLY B 21 9.788 -14.528 -4.861 1.00 0.57 H new ATOM 0 HA2 GLY B 21 10.419 -16.969 -3.471 1.00 0.68 H new ATOM 0 HA3 GLY B 21 9.619 -16.777 -5.018 1.00 0.68 H new ATOM 2590 N LYS B 22 12.681 -15.913 -5.244 1.00 0.73 N ATOM 2591 CA LYS B 22 13.947 -16.165 -5.899 1.00 0.79 C ATOM 2592 C LYS B 22 14.926 -16.807 -4.926 1.00 0.88 C ATOM 2593 O LYS B 22 15.361 -17.940 -5.134 1.00 0.96 O ATOM 2594 CB LYS B 22 14.521 -14.864 -6.459 1.00 0.81 C ATOM 2595 CG LYS B 22 15.837 -15.034 -7.191 1.00 1.23 C ATOM 2596 CD LYS B 22 16.307 -13.728 -7.802 1.00 1.30 C ATOM 2597 CE LYS B 22 17.609 -13.919 -8.557 1.00 1.75 C ATOM 2598 NZ LYS B 22 18.038 -12.682 -9.259 1.00 2.10 N ATOM 0 H LYS B 22 12.578 -14.966 -4.880 1.00 0.73 H new ATOM 0 HA LYS B 22 13.782 -16.854 -6.727 1.00 0.79 H new ATOM 0 HB2 LYS B 22 13.793 -14.421 -7.139 1.00 0.81 H new ATOM 0 HB3 LYS B 22 14.661 -14.159 -5.640 1.00 0.81 H new ATOM 0 HG2 LYS B 22 16.593 -15.406 -6.500 1.00 1.23 H new ATOM 0 HG3 LYS B 22 15.724 -15.783 -7.974 1.00 1.23 H new ATOM 0 HD2 LYS B 22 15.544 -13.343 -8.478 1.00 1.30 H new ATOM 0 HD3 LYS B 22 16.443 -12.983 -7.018 1.00 1.30 H new ATOM 0 HE2 LYS B 22 18.389 -14.228 -7.861 1.00 1.75 H new ATOM 0 HE3 LYS B 22 17.492 -14.724 -9.282 1.00 1.75 H new ATOM 0 HZ1 LYS B 22 18.940 -12.855 -9.747 1.00 2.10 H new ATOM 0 HZ2 LYS B 22 17.315 -12.409 -9.955 1.00 2.10 H new ATOM 0 HZ3 LYS B 22 18.160 -11.915 -8.567 1.00 2.10 H new ATOM 2612 N GLU B 23 15.258 -16.096 -3.860 1.00 0.97 N ATOM 2613 CA GLU B 23 16.197 -16.614 -2.870 1.00 1.14 C ATOM 2614 C GLU B 23 15.481 -17.073 -1.605 1.00 1.25 C ATOM 2615 O GLU B 23 15.954 -17.977 -0.910 1.00 1.57 O ATOM 2616 CB GLU B 23 17.263 -15.570 -2.528 1.00 1.46 C ATOM 2617 CG GLU B 23 18.250 -15.320 -3.655 1.00 1.92 C ATOM 2618 CD GLU B 23 19.347 -14.346 -3.277 1.00 2.47 C ATOM 2619 OE1 GLU B 23 19.938 -14.502 -2.184 1.00 2.95 O ATOM 2620 OE2 GLU B 23 19.650 -13.438 -4.081 1.00 3.11 O ATOM 0 H GLU B 23 14.896 -15.165 -3.656 1.00 0.97 H new ATOM 0 HA GLU B 23 16.688 -17.481 -3.312 1.00 1.14 H new ATOM 0 HB2 GLU B 23 16.772 -14.631 -2.271 1.00 1.46 H new ATOM 0 HB3 GLU B 23 17.809 -15.897 -1.643 1.00 1.46 H new ATOM 0 HG2 GLU B 23 18.700 -16.267 -3.953 1.00 1.92 H new ATOM 0 HG3 GLU B 23 17.713 -14.935 -4.522 1.00 1.92 H new ATOM 2627 N GLY B 24 14.338 -16.471 -1.310 1.00 1.31 N ATOM 2628 CA GLY B 24 13.601 -16.833 -0.116 1.00 1.56 C ATOM 2629 C GLY B 24 12.280 -17.498 -0.436 1.00 1.33 C ATOM 2630 O GLY B 24 12.196 -18.333 -1.342 1.00 1.43 O ATOM 0 H GLY B 24 13.908 -15.739 -1.875 1.00 1.31 H new ATOM 0 HA2 GLY B 24 14.206 -17.506 0.492 1.00 1.56 H new ATOM 0 HA3 GLY B 24 13.420 -15.939 0.482 1.00 1.56 H new ATOM 2634 N ASP B 25 11.249 -17.141 0.315 1.00 1.16 N ATOM 2635 CA ASP B 25 9.910 -17.653 0.062 1.00 1.06 C ATOM 2636 C ASP B 25 9.121 -16.599 -0.696 1.00 0.90 C ATOM 2637 O ASP B 25 9.526 -15.447 -0.745 1.00 0.91 O ATOM 2638 CB ASP B 25 9.198 -18.004 1.367 1.00 1.15 C ATOM 2639 CG ASP B 25 8.198 -19.134 1.196 1.00 1.33 C ATOM 2640 OD1 ASP B 25 7.290 -19.021 0.342 1.00 1.98 O ATOM 2641 OD2 ASP B 25 8.321 -20.145 1.917 1.00 1.82 O ATOM 0 H ASP B 25 11.314 -16.499 1.105 1.00 1.16 H new ATOM 0 HA ASP B 25 9.983 -18.565 -0.530 1.00 1.06 H new ATOM 0 HB2 ASP B 25 9.937 -18.287 2.116 1.00 1.15 H new ATOM 0 HB3 ASP B 25 8.683 -17.121 1.745 1.00 1.15 H new ATOM 2646 N LYS B 26 7.972 -16.973 -1.232 1.00 0.95 N ATOM 2647 CA LYS B 26 7.260 -16.108 -2.169 1.00 0.88 C ATOM 2648 C LYS B 26 6.479 -15.023 -1.429 1.00 0.83 C ATOM 2649 O LYS B 26 5.739 -14.253 -2.041 1.00 0.88 O ATOM 2650 CB LYS B 26 6.300 -16.912 -3.059 1.00 1.08 C ATOM 2651 CG LYS B 26 6.966 -17.961 -3.957 1.00 1.43 C ATOM 2652 CD LYS B 26 7.384 -19.216 -3.198 1.00 1.59 C ATOM 2653 CE LYS B 26 6.185 -20.004 -2.687 1.00 1.81 C ATOM 2654 NZ LYS B 26 6.534 -20.865 -1.526 1.00 2.62 N ATOM 0 H LYS B 26 7.511 -17.862 -1.039 1.00 0.95 H new ATOM 0 HA LYS B 26 8.012 -15.638 -2.803 1.00 0.88 H new ATOM 0 HB2 LYS B 26 5.572 -17.413 -2.421 1.00 1.08 H new ATOM 0 HB3 LYS B 26 5.746 -16.216 -3.689 1.00 1.08 H new ATOM 0 HG2 LYS B 26 6.277 -18.238 -4.755 1.00 1.43 H new ATOM 0 HG3 LYS B 26 7.843 -17.521 -4.432 1.00 1.43 H new ATOM 0 HD2 LYS B 26 7.983 -19.851 -3.851 1.00 1.59 H new ATOM 0 HD3 LYS B 26 8.018 -18.936 -2.357 1.00 1.59 H new ATOM 0 HE2 LYS B 26 5.393 -19.312 -2.399 1.00 1.81 H new ATOM 0 HE3 LYS B 26 5.790 -20.624 -3.492 1.00 1.81 H new ATOM 0 HZ1 LYS B 26 5.830 -21.625 -1.433 1.00 2.62 H new ATOM 0 HZ2 LYS B 26 7.475 -21.282 -1.673 1.00 2.62 H new ATOM 0 HZ3 LYS B 26 6.541 -20.292 -0.658 1.00 2.62 H new ATOM 2668 N PHE B 27 6.641 -14.982 -0.113 1.00 0.79 N ATOM 2669 CA PHE B 27 6.037 -13.944 0.713 1.00 0.79 C ATOM 2670 C PHE B 27 7.083 -13.331 1.638 1.00 0.71 C ATOM 2671 O PHE B 27 6.758 -12.568 2.547 1.00 0.70 O ATOM 2672 CB PHE B 27 4.862 -14.507 1.533 1.00 0.99 C ATOM 2673 CG PHE B 27 5.227 -15.640 2.460 1.00 0.72 C ATOM 2674 CD1 PHE B 27 5.827 -15.393 3.686 1.00 1.53 C ATOM 2675 CD2 PHE B 27 4.954 -16.951 2.108 1.00 1.64 C ATOM 2676 CE1 PHE B 27 6.151 -16.431 4.538 1.00 2.34 C ATOM 2677 CE2 PHE B 27 5.276 -17.994 2.955 1.00 2.41 C ATOM 2678 CZ PHE B 27 5.875 -17.734 4.173 1.00 2.60 C ATOM 0 H PHE B 27 7.192 -15.663 0.410 1.00 0.79 H new ATOM 0 HA PHE B 27 5.649 -13.167 0.055 1.00 0.79 H new ATOM 0 HB2 PHE B 27 4.427 -13.699 2.122 1.00 0.99 H new ATOM 0 HB3 PHE B 27 4.089 -14.852 0.846 1.00 0.99 H new ATOM 0 HD1 PHE B 27 6.044 -14.376 3.978 1.00 1.53 H new ATOM 0 HD2 PHE B 27 4.483 -17.161 1.159 1.00 1.64 H new ATOM 0 HE1 PHE B 27 6.620 -16.224 5.489 1.00 2.34 H new ATOM 0 HE2 PHE B 27 5.060 -19.012 2.665 1.00 2.41 H new ATOM 0 HZ PHE B 27 6.127 -18.547 4.837 1.00 2.60 H new ATOM 2688 N LYS B 28 8.342 -13.665 1.397 1.00 0.69 N ATOM 2689 CA LYS B 28 9.421 -13.229 2.270 1.00 0.68 C ATOM 2690 C LYS B 28 10.548 -12.617 1.456 1.00 0.50 C ATOM 2691 O LYS B 28 11.156 -13.289 0.625 1.00 0.54 O ATOM 2692 CB LYS B 28 9.958 -14.417 3.066 1.00 0.92 C ATOM 2693 CG LYS B 28 10.965 -14.032 4.134 1.00 0.93 C ATOM 2694 CD LYS B 28 10.281 -13.486 5.376 1.00 0.98 C ATOM 2695 CE LYS B 28 9.580 -14.590 6.155 1.00 1.51 C ATOM 2696 NZ LYS B 28 9.135 -14.127 7.495 1.00 1.98 N ATOM 0 H LYS B 28 8.641 -14.235 0.606 1.00 0.69 H new ATOM 0 HA LYS B 28 9.029 -12.477 2.955 1.00 0.68 H new ATOM 0 HB2 LYS B 28 9.122 -14.935 3.537 1.00 0.92 H new ATOM 0 HB3 LYS B 28 10.423 -15.123 2.378 1.00 0.92 H new ATOM 0 HG2 LYS B 28 11.564 -14.903 4.401 1.00 0.93 H new ATOM 0 HG3 LYS B 28 11.650 -13.283 3.736 1.00 0.93 H new ATOM 0 HD2 LYS B 28 11.018 -13.000 6.015 1.00 0.98 H new ATOM 0 HD3 LYS B 28 9.556 -12.725 5.089 1.00 0.98 H new ATOM 0 HE2 LYS B 28 8.718 -14.943 5.588 1.00 1.51 H new ATOM 0 HE3 LYS B 28 10.255 -15.438 6.270 1.00 1.51 H new ATOM 0 HZ1 LYS B 28 8.833 -14.945 8.062 1.00 1.98 H new ATOM 0 HZ2 LYS B 28 9.922 -13.644 7.974 1.00 1.98 H new ATOM 0 HZ3 LYS B 28 8.338 -13.468 7.387 1.00 1.98 H new ATOM 2710 N LEU B 29 10.845 -11.353 1.706 1.00 0.38 N ATOM 2711 CA LEU B 29 11.874 -10.661 0.945 1.00 0.32 C ATOM 2712 C LEU B 29 13.033 -10.237 1.829 1.00 0.33 C ATOM 2713 O LEU B 29 12.881 -9.383 2.694 1.00 0.42 O ATOM 2714 CB LEU B 29 11.306 -9.424 0.248 1.00 0.29 C ATOM 2715 CG LEU B 29 10.226 -9.689 -0.797 1.00 0.29 C ATOM 2716 CD1 LEU B 29 8.856 -9.739 -0.150 1.00 0.34 C ATOM 2717 CD2 LEU B 29 10.269 -8.636 -1.888 1.00 0.31 C ATOM 0 H LEU B 29 10.393 -10.788 2.424 1.00 0.38 H new ATOM 0 HA LEU B 29 12.237 -11.366 0.197 1.00 0.32 H new ATOM 0 HB2 LEU B 29 10.895 -8.759 1.007 1.00 0.29 H new ATOM 0 HB3 LEU B 29 12.127 -8.891 -0.232 1.00 0.29 H new ATOM 0 HG LEU B 29 10.421 -10.660 -1.253 1.00 0.29 H new ATOM 0 HD11 LEU B 29 8.100 -9.929 -0.912 1.00 0.34 H new ATOM 0 HD12 LEU B 29 8.833 -10.538 0.591 1.00 0.34 H new ATOM 0 HD13 LEU B 29 8.649 -8.786 0.337 1.00 0.34 H new ATOM 0 HD21 LEU B 29 9.491 -8.842 -2.624 1.00 0.31 H new ATOM 0 HD22 LEU B 29 10.103 -7.652 -1.450 1.00 0.31 H new ATOM 0 HD23 LEU B 29 11.244 -8.656 -2.375 1.00 0.31 H new ATOM 2729 N ASN B 30 14.190 -10.837 1.614 1.00 0.31 N ATOM 2730 CA ASN B 30 15.407 -10.368 2.258 1.00 0.31 C ATOM 2731 C ASN B 30 15.954 -9.181 1.465 1.00 0.27 C ATOM 2732 O ASN B 30 15.292 -8.702 0.539 1.00 0.26 O ATOM 2733 CB ASN B 30 16.451 -11.487 2.350 1.00 0.35 C ATOM 2734 CG ASN B 30 17.047 -11.837 1.005 1.00 0.58 C ATOM 2735 OD1 ASN B 30 18.067 -11.284 0.601 1.00 1.17 O ATOM 2736 ND2 ASN B 30 16.424 -12.764 0.309 1.00 0.60 N ATOM 0 H ASN B 30 14.314 -11.644 1.003 1.00 0.31 H new ATOM 0 HA ASN B 30 15.179 -10.056 3.277 1.00 0.31 H new ATOM 0 HB2 ASN B 30 17.248 -11.181 3.028 1.00 0.35 H new ATOM 0 HB3 ASN B 30 15.989 -12.375 2.781 1.00 0.35 H new ATOM 0 HD21 ASN B 30 16.786 -13.047 -0.602 1.00 0.60 H new ATOM 0 HD22 ASN B 30 15.579 -13.199 0.680 1.00 0.60 H new ATOM 2743 N LYS B 31 17.144 -8.710 1.823 1.00 0.27 N ATOM 2744 CA LYS B 31 17.731 -7.536 1.180 1.00 0.26 C ATOM 2745 C LYS B 31 17.786 -7.691 -0.343 1.00 0.25 C ATOM 2746 O LYS B 31 17.456 -6.765 -1.083 1.00 0.28 O ATOM 2747 CB LYS B 31 19.142 -7.276 1.715 1.00 0.29 C ATOM 2748 CG LYS B 31 19.175 -6.872 3.179 1.00 0.40 C ATOM 2749 CD LYS B 31 20.593 -6.614 3.659 1.00 0.49 C ATOM 2750 CE LYS B 31 20.609 -6.143 5.103 1.00 1.20 C ATOM 2751 NZ LYS B 31 21.991 -5.957 5.617 1.00 1.72 N ATOM 0 H LYS B 31 17.722 -9.122 2.555 1.00 0.27 H new ATOM 0 HA LYS B 31 17.089 -6.687 1.417 1.00 0.26 H new ATOM 0 HB2 LYS B 31 19.743 -8.176 1.582 1.00 0.29 H new ATOM 0 HB3 LYS B 31 19.608 -6.490 1.120 1.00 0.29 H new ATOM 0 HG2 LYS B 31 18.573 -5.974 3.322 1.00 0.40 H new ATOM 0 HG3 LYS B 31 18.724 -7.658 3.784 1.00 0.40 H new ATOM 0 HD2 LYS B 31 21.183 -7.526 3.565 1.00 0.49 H new ATOM 0 HD3 LYS B 31 21.063 -5.863 3.024 1.00 0.49 H new ATOM 0 HE2 LYS B 31 20.064 -5.203 5.183 1.00 1.20 H new ATOM 0 HE3 LYS B 31 20.086 -6.869 5.726 1.00 1.20 H new ATOM 0 HZ1 LYS B 31 21.953 -5.635 6.605 1.00 1.72 H new ATOM 0 HZ2 LYS B 31 22.505 -6.860 5.566 1.00 1.72 H new ATOM 0 HZ3 LYS B 31 22.483 -5.246 5.040 1.00 1.72 H new ATOM 2765 N SER B 32 18.184 -8.872 -0.797 1.00 0.25 N ATOM 2766 CA SER B 32 18.372 -9.137 -2.220 1.00 0.27 C ATOM 2767 C SER B 32 17.053 -9.025 -2.989 1.00 0.24 C ATOM 2768 O SER B 32 16.999 -8.399 -4.055 1.00 0.27 O ATOM 2769 CB SER B 32 18.980 -10.534 -2.403 1.00 0.35 C ATOM 2770 OG SER B 32 19.291 -10.802 -3.761 1.00 1.27 O ATOM 0 H SER B 32 18.385 -9.670 -0.195 1.00 0.25 H new ATOM 0 HA SER B 32 19.052 -8.387 -2.624 1.00 0.27 H new ATOM 0 HB2 SER B 32 19.884 -10.618 -1.800 1.00 0.35 H new ATOM 0 HB3 SER B 32 18.281 -11.285 -2.036 1.00 0.35 H new ATOM 0 HG SER B 32 19.174 -11.758 -3.941 1.00 1.27 H new ATOM 2776 N GLU B 33 15.991 -9.602 -2.434 1.00 0.25 N ATOM 2777 CA GLU B 33 14.710 -9.665 -3.130 1.00 0.27 C ATOM 2778 C GLU B 33 14.147 -8.263 -3.325 1.00 0.24 C ATOM 2779 O GLU B 33 13.746 -7.888 -4.431 1.00 0.26 O ATOM 2780 CB GLU B 33 13.690 -10.505 -2.355 1.00 0.34 C ATOM 2781 CG GLU B 33 14.259 -11.727 -1.647 1.00 0.47 C ATOM 2782 CD GLU B 33 15.052 -12.659 -2.541 1.00 0.83 C ATOM 2783 OE1 GLU B 33 14.453 -13.589 -3.118 1.00 1.65 O ATOM 2784 OE2 GLU B 33 16.286 -12.498 -2.613 1.00 1.43 O ATOM 0 H GLU B 33 15.992 -10.031 -1.509 1.00 0.25 H new ATOM 0 HA GLU B 33 14.888 -10.135 -4.097 1.00 0.27 H new ATOM 0 HB2 GLU B 33 13.207 -9.868 -1.614 1.00 0.34 H new ATOM 0 HB3 GLU B 33 12.914 -10.834 -3.046 1.00 0.34 H new ATOM 0 HG2 GLU B 33 14.901 -11.393 -0.832 1.00 0.47 H new ATOM 0 HG3 GLU B 33 13.438 -12.286 -1.198 1.00 0.47 H new ATOM 2791 N LEU B 34 14.124 -7.488 -2.240 1.00 0.21 N ATOM 2792 CA LEU B 34 13.625 -6.120 -2.291 1.00 0.21 C ATOM 2793 C LEU B 34 14.460 -5.275 -3.233 1.00 0.20 C ATOM 2794 O LEU B 34 13.930 -4.474 -3.999 1.00 0.24 O ATOM 2795 CB LEU B 34 13.642 -5.492 -0.904 1.00 0.21 C ATOM 2796 CG LEU B 34 12.504 -5.906 0.016 1.00 0.21 C ATOM 2797 CD1 LEU B 34 12.749 -5.361 1.409 1.00 0.24 C ATOM 2798 CD2 LEU B 34 11.180 -5.396 -0.529 1.00 0.21 C ATOM 0 H LEU B 34 14.445 -7.786 -1.319 1.00 0.21 H new ATOM 0 HA LEU B 34 12.600 -6.155 -2.659 1.00 0.21 H new ATOM 0 HB2 LEU B 34 14.586 -5.744 -0.421 1.00 0.21 H new ATOM 0 HB3 LEU B 34 13.620 -4.408 -1.015 1.00 0.21 H new ATOM 0 HG LEU B 34 12.460 -6.994 0.066 1.00 0.21 H new ATOM 0 HD11 LEU B 34 11.932 -5.660 2.065 1.00 0.24 H new ATOM 0 HD12 LEU B 34 13.688 -5.758 1.795 1.00 0.24 H new ATOM 0 HD13 LEU B 34 12.804 -4.273 1.370 1.00 0.24 H new ATOM 0 HD21 LEU B 34 10.372 -5.698 0.137 1.00 0.21 H new ATOM 0 HD22 LEU B 34 11.209 -4.308 -0.595 1.00 0.21 H new ATOM 0 HD23 LEU B 34 11.009 -5.815 -1.520 1.00 0.21 H new ATOM 2810 N LYS B 35 15.767 -5.466 -3.161 1.00 0.21 N ATOM 2811 CA LYS B 35 16.701 -4.734 -3.993 1.00 0.26 C ATOM 2812 C LYS B 35 16.314 -4.848 -5.460 1.00 0.22 C ATOM 2813 O LYS B 35 16.108 -3.840 -6.128 1.00 0.24 O ATOM 2814 CB LYS B 35 18.112 -5.266 -3.767 1.00 0.37 C ATOM 2815 CG LYS B 35 19.201 -4.388 -4.345 1.00 0.54 C ATOM 2816 CD LYS B 35 20.569 -4.927 -3.986 1.00 0.68 C ATOM 2817 CE LYS B 35 21.673 -4.100 -4.606 1.00 0.61 C ATOM 2818 NZ LYS B 35 21.851 -2.807 -3.900 1.00 0.95 N ATOM 0 H LYS B 35 16.207 -6.131 -2.525 1.00 0.21 H new ATOM 0 HA LYS B 35 16.671 -3.680 -3.718 1.00 0.26 H new ATOM 0 HB2 LYS B 35 18.280 -5.378 -2.696 1.00 0.37 H new ATOM 0 HB3 LYS B 35 18.189 -6.260 -4.207 1.00 0.37 H new ATOM 0 HG2 LYS B 35 19.097 -4.337 -5.429 1.00 0.54 H new ATOM 0 HG3 LYS B 35 19.094 -3.371 -3.967 1.00 0.54 H new ATOM 0 HD2 LYS B 35 20.685 -4.935 -2.902 1.00 0.68 H new ATOM 0 HD3 LYS B 35 20.654 -5.960 -4.324 1.00 0.68 H new ATOM 0 HE2 LYS B 35 22.607 -4.661 -4.579 1.00 0.61 H new ATOM 0 HE3 LYS B 35 21.443 -3.914 -5.655 1.00 0.61 H new ATOM 0 HZ1 LYS B 35 21.436 -2.041 -4.468 1.00 0.95 H new ATOM 0 HZ2 LYS B 35 21.377 -2.848 -2.975 1.00 0.95 H new ATOM 0 HZ3 LYS B 35 22.865 -2.624 -3.761 1.00 0.95 H new ATOM 2832 N GLU B 36 16.185 -6.071 -5.950 1.00 0.22 N ATOM 2833 CA GLU B 36 15.791 -6.283 -7.332 1.00 0.24 C ATOM 2834 C GLU B 36 14.387 -5.755 -7.598 1.00 0.25 C ATOM 2835 O GLU B 36 14.144 -5.124 -8.621 1.00 0.32 O ATOM 2836 CB GLU B 36 15.859 -7.752 -7.706 1.00 0.28 C ATOM 2837 CG GLU B 36 17.191 -8.163 -8.297 1.00 0.65 C ATOM 2838 CD GLU B 36 17.232 -9.625 -8.676 1.00 0.77 C ATOM 2839 OE1 GLU B 36 16.600 -9.999 -9.688 1.00 1.30 O ATOM 2840 OE2 GLU B 36 17.914 -10.405 -7.985 1.00 1.48 O ATOM 0 H GLU B 36 16.346 -6.925 -5.416 1.00 0.22 H new ATOM 0 HA GLU B 36 16.497 -5.729 -7.950 1.00 0.24 H new ATOM 0 HB2 GLU B 36 15.663 -8.354 -6.819 1.00 0.28 H new ATOM 0 HB3 GLU B 36 15.068 -7.973 -8.423 1.00 0.28 H new ATOM 0 HG2 GLU B 36 17.395 -7.557 -9.180 1.00 0.65 H new ATOM 0 HG3 GLU B 36 17.983 -7.956 -7.577 1.00 0.65 H new ATOM 2847 N LEU B 37 13.477 -6.005 -6.671 1.00 0.23 N ATOM 2848 CA LEU B 37 12.097 -5.557 -6.807 1.00 0.26 C ATOM 2849 C LEU B 37 12.047 -4.046 -7.038 1.00 0.22 C ATOM 2850 O LEU B 37 11.459 -3.572 -8.013 1.00 0.22 O ATOM 2851 CB LEU B 37 11.318 -5.931 -5.547 1.00 0.32 C ATOM 2852 CG LEU B 37 9.795 -5.939 -5.677 1.00 0.41 C ATOM 2853 CD1 LEU B 37 9.202 -7.071 -4.853 1.00 0.34 C ATOM 2854 CD2 LEU B 37 9.217 -4.607 -5.229 1.00 0.74 C ATOM 0 H LEU B 37 13.669 -6.519 -5.811 1.00 0.23 H new ATOM 0 HA LEU B 37 11.643 -6.046 -7.668 1.00 0.26 H new ATOM 0 HB2 LEU B 37 11.640 -6.921 -5.225 1.00 0.32 H new ATOM 0 HB3 LEU B 37 11.591 -5.234 -4.755 1.00 0.32 H new ATOM 0 HG LEU B 37 9.538 -6.095 -6.725 1.00 0.41 H new ATOM 0 HD11 LEU B 37 8.117 -7.065 -4.955 1.00 0.34 H new ATOM 0 HD12 LEU B 37 9.595 -8.024 -5.208 1.00 0.34 H new ATOM 0 HD13 LEU B 37 9.469 -6.937 -3.805 1.00 0.34 H new ATOM 0 HD21 LEU B 37 8.132 -4.630 -5.328 1.00 0.74 H new ATOM 0 HD22 LEU B 37 9.483 -4.427 -4.187 1.00 0.74 H new ATOM 0 HD23 LEU B 37 9.621 -3.808 -5.850 1.00 0.74 H new ATOM 2866 N LEU B 38 12.699 -3.301 -6.153 1.00 0.19 N ATOM 2867 CA LEU B 38 12.721 -1.846 -6.236 1.00 0.19 C ATOM 2868 C LEU B 38 13.527 -1.355 -7.439 1.00 0.19 C ATOM 2869 O LEU B 38 13.122 -0.419 -8.110 1.00 0.21 O ATOM 2870 CB LEU B 38 13.278 -1.243 -4.941 1.00 0.19 C ATOM 2871 CG LEU B 38 12.291 -1.167 -3.770 1.00 0.19 C ATOM 2872 CD1 LEU B 38 12.838 -1.905 -2.562 1.00 0.20 C ATOM 2873 CD2 LEU B 38 12.006 0.283 -3.406 1.00 0.20 C ATOM 0 H LEU B 38 13.222 -3.684 -5.365 1.00 0.19 H new ATOM 0 HA LEU B 38 11.692 -1.512 -6.371 1.00 0.19 H new ATOM 0 HB2 LEU B 38 14.141 -1.831 -4.629 1.00 0.19 H new ATOM 0 HB3 LEU B 38 13.639 -0.237 -5.155 1.00 0.19 H new ATOM 0 HG LEU B 38 11.360 -1.642 -4.079 1.00 0.19 H new ATOM 0 HD11 LEU B 38 12.123 -1.840 -1.741 1.00 0.20 H new ATOM 0 HD12 LEU B 38 13.002 -2.952 -2.818 1.00 0.20 H new ATOM 0 HD13 LEU B 38 13.783 -1.454 -2.257 1.00 0.20 H new ATOM 0 HD21 LEU B 38 11.304 0.318 -2.573 1.00 0.20 H new ATOM 0 HD22 LEU B 38 12.935 0.775 -3.118 1.00 0.20 H new ATOM 0 HD23 LEU B 38 11.575 0.796 -4.266 1.00 0.20 H new ATOM 2885 N THR B 39 14.654 -1.992 -7.726 1.00 0.20 N ATOM 2886 CA THR B 39 15.515 -1.547 -8.825 1.00 0.22 C ATOM 2887 C THR B 39 14.827 -1.689 -10.178 1.00 0.23 C ATOM 2888 O THR B 39 15.089 -0.920 -11.105 1.00 0.27 O ATOM 2889 CB THR B 39 16.845 -2.323 -8.872 1.00 0.25 C ATOM 2890 OG1 THR B 39 16.599 -3.732 -8.849 1.00 0.30 O ATOM 2891 CG2 THR B 39 17.728 -1.957 -7.702 1.00 0.27 C ATOM 0 H THR B 39 14.995 -2.811 -7.222 1.00 0.20 H new ATOM 0 HA THR B 39 15.720 -0.495 -8.629 1.00 0.22 H new ATOM 0 HB THR B 39 17.353 -2.054 -9.798 1.00 0.25 H new ATOM 0 HG1 THR B 39 15.634 -3.896 -8.887 1.00 0.30 H new ATOM 0 HG21 THR B 39 18.660 -2.519 -7.760 1.00 0.27 H new ATOM 0 HG22 THR B 39 17.946 -0.889 -7.730 1.00 0.27 H new ATOM 0 HG23 THR B 39 17.216 -2.198 -6.770 1.00 0.27 H new ATOM 2899 N ARG B 40 13.955 -2.676 -10.285 1.00 0.24 N ATOM 2900 CA ARG B 40 13.306 -2.984 -11.544 1.00 0.27 C ATOM 2901 C ARG B 40 11.998 -2.215 -11.706 1.00 0.27 C ATOM 2902 O ARG B 40 11.850 -1.423 -12.639 1.00 0.30 O ATOM 2903 CB ARG B 40 13.056 -4.484 -11.638 1.00 0.31 C ATOM 2904 CG ARG B 40 14.325 -5.321 -11.635 1.00 0.34 C ATOM 2905 CD ARG B 40 15.216 -5.007 -12.823 1.00 0.44 C ATOM 2906 NE ARG B 40 14.612 -5.423 -14.086 1.00 0.64 N ATOM 2907 CZ ARG B 40 14.740 -4.754 -15.230 1.00 0.87 C ATOM 2908 NH1 ARG B 40 15.413 -3.609 -15.269 1.00 1.22 N ATOM 2909 NH2 ARG B 40 14.185 -5.225 -16.340 1.00 1.06 N ATOM 0 H ARG B 40 13.680 -3.280 -9.510 1.00 0.24 H new ATOM 0 HA ARG B 40 13.968 -2.675 -12.353 1.00 0.27 H new ATOM 0 HB2 ARG B 40 12.428 -4.791 -10.802 1.00 0.31 H new ATOM 0 HB3 ARG B 40 12.497 -4.693 -12.550 1.00 0.31 H new ATOM 0 HG2 ARG B 40 14.875 -5.142 -10.712 1.00 0.34 H new ATOM 0 HG3 ARG B 40 14.062 -6.379 -11.649 1.00 0.34 H new ATOM 0 HD2 ARG B 40 15.416 -3.936 -12.853 1.00 0.44 H new ATOM 0 HD3 ARG B 40 16.176 -5.508 -12.698 1.00 0.44 H new ATOM 0 HE ARG B 40 14.058 -6.279 -14.092 1.00 0.64 H new ATOM 0 HH11 ARG B 40 15.836 -3.237 -14.419 1.00 1.22 H new ATOM 0 HH12 ARG B 40 15.507 -3.102 -16.149 1.00 1.22 H new ATOM 0 HH21 ARG B 40 13.660 -6.099 -16.317 1.00 1.06 H new ATOM 0 HH22 ARG B 40 14.283 -4.712 -17.216 1.00 1.06 H new ATOM 2923 N GLU B 41 11.052 -2.433 -10.800 1.00 0.27 N ATOM 2924 CA GLU B 41 9.728 -1.844 -10.950 1.00 0.30 C ATOM 2925 C GLU B 41 9.539 -0.571 -10.131 1.00 0.34 C ATOM 2926 O GLU B 41 8.541 0.115 -10.299 1.00 0.46 O ATOM 2927 CB GLU B 41 8.625 -2.853 -10.620 1.00 0.36 C ATOM 2928 CG GLU B 41 8.142 -3.624 -11.839 1.00 0.45 C ATOM 2929 CD GLU B 41 8.615 -5.064 -11.858 1.00 0.83 C ATOM 2930 OE1 GLU B 41 9.835 -5.300 -11.712 1.00 1.54 O ATOM 2931 OE2 GLU B 41 7.773 -5.960 -12.063 1.00 1.59 O ATOM 0 H GLU B 41 11.174 -3.005 -9.965 1.00 0.27 H new ATOM 0 HA GLU B 41 9.649 -1.563 -12.000 1.00 0.30 H new ATOM 0 HB2 GLU B 41 8.995 -3.557 -9.875 1.00 0.36 H new ATOM 0 HB3 GLU B 41 7.782 -2.328 -10.171 1.00 0.36 H new ATOM 0 HG2 GLU B 41 7.052 -3.605 -11.865 1.00 0.45 H new ATOM 0 HG3 GLU B 41 8.491 -3.121 -12.741 1.00 0.45 H new ATOM 2938 N LEU B 42 10.471 -0.239 -9.248 1.00 0.27 N ATOM 2939 CA LEU B 42 10.357 1.016 -8.497 1.00 0.28 C ATOM 2940 C LEU B 42 11.590 1.909 -8.676 1.00 0.27 C ATOM 2941 O LEU B 42 12.073 2.482 -7.701 1.00 0.26 O ATOM 2942 CB LEU B 42 10.160 0.750 -6.995 1.00 0.27 C ATOM 2943 CG LEU B 42 8.950 -0.104 -6.611 1.00 0.27 C ATOM 2944 CD1 LEU B 42 9.222 -1.567 -6.887 1.00 0.26 C ATOM 2945 CD2 LEU B 42 8.599 0.103 -5.147 1.00 0.32 C ATOM 0 H LEU B 42 11.296 -0.800 -9.033 1.00 0.27 H new ATOM 0 HA LEU B 42 9.485 1.532 -8.899 1.00 0.28 H new ATOM 0 HB2 LEU B 42 11.057 0.263 -6.613 1.00 0.27 H new ATOM 0 HB3 LEU B 42 10.077 1.710 -6.486 1.00 0.27 H new ATOM 0 HG LEU B 42 8.101 0.208 -7.219 1.00 0.27 H new ATOM 0 HD11 LEU B 42 8.350 -2.158 -6.607 1.00 0.26 H new ATOM 0 HD12 LEU B 42 9.429 -1.705 -7.948 1.00 0.26 H new ATOM 0 HD13 LEU B 42 10.083 -1.893 -6.304 1.00 0.26 H new ATOM 0 HD21 LEU B 42 7.736 -0.511 -4.889 1.00 0.32 H new ATOM 0 HD22 LEU B 42 9.447 -0.184 -4.525 1.00 0.32 H new ATOM 0 HD23 LEU B 42 8.361 1.153 -4.975 1.00 0.32 H new ATOM 2957 N PRO B 43 12.099 2.099 -9.912 1.00 0.31 N ATOM 2958 CA PRO B 43 13.358 2.813 -10.115 1.00 0.33 C ATOM 2959 C PRO B 43 13.219 4.303 -9.830 1.00 0.33 C ATOM 2960 O PRO B 43 14.196 4.986 -9.532 1.00 0.36 O ATOM 2961 CB PRO B 43 13.682 2.567 -11.587 1.00 0.41 C ATOM 2962 CG PRO B 43 12.366 2.319 -12.238 1.00 0.51 C ATOM 2963 CD PRO B 43 11.485 1.689 -11.191 1.00 0.35 C ATOM 0 HA PRO B 43 14.141 2.466 -9.441 1.00 0.33 H new ATOM 0 HB2 PRO B 43 14.185 3.427 -12.029 1.00 0.41 H new ATOM 0 HB3 PRO B 43 14.348 1.713 -11.707 1.00 0.41 H new ATOM 0 HG2 PRO B 43 11.931 3.250 -12.602 1.00 0.51 H new ATOM 0 HG3 PRO B 43 12.477 1.661 -13.100 1.00 0.51 H new ATOM 0 HD2 PRO B 43 10.456 2.041 -11.271 1.00 0.35 H new ATOM 0 HD3 PRO B 43 11.459 0.604 -11.291 1.00 0.35 H new ATOM 2971 N SER B 44 11.988 4.793 -9.915 1.00 0.36 N ATOM 2972 CA SER B 44 11.692 6.181 -9.618 1.00 0.39 C ATOM 2973 C SER B 44 11.688 6.420 -8.113 1.00 0.35 C ATOM 2974 O SER B 44 12.190 7.431 -7.635 1.00 0.40 O ATOM 2975 CB SER B 44 10.328 6.560 -10.195 1.00 0.46 C ATOM 2976 OG SER B 44 10.216 6.176 -11.556 1.00 1.09 O ATOM 0 H SER B 44 11.176 4.241 -10.190 1.00 0.36 H new ATOM 0 HA SER B 44 12.466 6.800 -10.072 1.00 0.39 H new ATOM 0 HB2 SER B 44 9.540 6.081 -9.614 1.00 0.46 H new ATOM 0 HB3 SER B 44 10.180 7.636 -10.106 1.00 0.46 H new ATOM 0 HG SER B 44 9.333 6.430 -11.896 1.00 1.09 H new ATOM 2982 N PHE B 45 11.141 5.467 -7.370 1.00 0.30 N ATOM 2983 CA PHE B 45 10.926 5.633 -5.940 1.00 0.28 C ATOM 2984 C PHE B 45 12.164 5.260 -5.139 1.00 0.28 C ATOM 2985 O PHE B 45 12.050 4.837 -3.998 1.00 0.27 O ATOM 2986 CB PHE B 45 9.742 4.774 -5.477 1.00 0.31 C ATOM 2987 CG PHE B 45 8.589 4.740 -6.441 1.00 0.28 C ATOM 2988 CD1 PHE B 45 7.890 5.892 -6.770 1.00 1.28 C ATOM 2989 CD2 PHE B 45 8.198 3.540 -7.009 1.00 1.17 C ATOM 2990 CE1 PHE B 45 6.826 5.840 -7.651 1.00 1.34 C ATOM 2991 CE2 PHE B 45 7.140 3.483 -7.888 1.00 1.18 C ATOM 2992 CZ PHE B 45 6.451 4.632 -8.211 1.00 0.47 C ATOM 0 H PHE B 45 10.837 4.566 -7.738 1.00 0.30 H new ATOM 0 HA PHE B 45 10.708 6.686 -5.763 1.00 0.28 H new ATOM 0 HB2 PHE B 45 10.091 3.755 -5.310 1.00 0.31 H new ATOM 0 HB3 PHE B 45 9.388 5.151 -4.518 1.00 0.31 H new ATOM 0 HD1 PHE B 45 8.179 6.837 -6.334 1.00 1.28 H new ATOM 0 HD2 PHE B 45 8.731 2.635 -6.759 1.00 1.17 H new ATOM 0 HE1 PHE B 45 6.288 6.742 -7.902 1.00 1.34 H new ATOM 0 HE2 PHE B 45 6.850 2.538 -8.324 1.00 1.18 H new ATOM 0 HZ PHE B 45 5.620 4.589 -8.900 1.00 0.47 H new ATOM 3002 N LEU B 46 13.348 5.418 -5.711 1.00 0.32 N ATOM 3003 CA LEU B 46 14.559 5.219 -4.929 1.00 0.33 C ATOM 3004 C LEU B 46 15.166 6.569 -4.564 1.00 0.39 C ATOM 3005 O LEU B 46 15.898 6.688 -3.586 1.00 0.47 O ATOM 3006 CB LEU B 46 15.586 4.328 -5.652 1.00 0.35 C ATOM 3007 CG LEU B 46 15.041 3.001 -6.197 1.00 0.32 C ATOM 3008 CD1 LEU B 46 16.180 2.056 -6.546 1.00 0.41 C ATOM 3009 CD2 LEU B 46 14.078 2.355 -5.205 1.00 0.30 C ATOM 0 H LEU B 46 13.496 5.676 -6.687 1.00 0.32 H new ATOM 0 HA LEU B 46 14.282 4.691 -4.016 1.00 0.33 H new ATOM 0 HB2 LEU B 46 16.012 4.894 -6.481 1.00 0.35 H new ATOM 0 HB3 LEU B 46 16.401 4.110 -4.962 1.00 0.35 H new ATOM 0 HG LEU B 46 14.484 3.213 -7.110 1.00 0.32 H new ATOM 0 HD11 LEU B 46 15.772 1.121 -6.931 1.00 0.41 H new ATOM 0 HD12 LEU B 46 16.814 2.515 -7.305 1.00 0.41 H new ATOM 0 HD13 LEU B 46 16.772 1.854 -5.653 1.00 0.41 H new ATOM 0 HD21 LEU B 46 13.707 1.416 -5.617 1.00 0.30 H new ATOM 0 HD22 LEU B 46 14.598 2.159 -4.267 1.00 0.30 H new ATOM 0 HD23 LEU B 46 13.240 3.027 -5.021 1.00 0.30 H new ATOM 3021 N GLY B 47 14.836 7.588 -5.348 1.00 0.41 N ATOM 3022 CA GLY B 47 15.327 8.941 -5.112 1.00 0.49 C ATOM 3023 C GLY B 47 16.820 9.097 -5.351 1.00 0.53 C ATOM 3024 O GLY B 47 17.280 10.153 -5.780 1.00 0.60 O ATOM 0 H GLY B 47 14.225 7.502 -6.160 1.00 0.41 H new ATOM 0 HA2 GLY B 47 14.789 9.632 -5.761 1.00 0.49 H new ATOM 0 HA3 GLY B 47 15.100 9.227 -4.085 1.00 0.49 H new ATOM 3028 N LYS B 48 17.573 8.049 -5.076 1.00 0.54 N ATOM 3029 CA LYS B 48 18.998 8.029 -5.342 1.00 0.67 C ATOM 3030 C LYS B 48 19.396 6.658 -5.876 1.00 0.70 C ATOM 3031 O LYS B 48 19.604 6.495 -7.078 1.00 1.18 O ATOM 3032 CB LYS B 48 19.779 8.362 -4.065 1.00 0.82 C ATOM 3033 CG LYS B 48 21.279 8.492 -4.269 1.00 1.41 C ATOM 3034 CD LYS B 48 21.647 9.690 -5.139 1.00 2.04 C ATOM 3035 CE LYS B 48 21.437 11.020 -4.420 1.00 2.61 C ATOM 3036 NZ LYS B 48 20.006 11.433 -4.368 1.00 3.21 N ATOM 0 H LYS B 48 17.214 7.188 -4.662 1.00 0.54 H new ATOM 0 HA LYS B 48 19.237 8.782 -6.092 1.00 0.67 H new ATOM 0 HB2 LYS B 48 19.397 9.296 -3.652 1.00 0.82 H new ATOM 0 HB3 LYS B 48 19.590 7.585 -3.324 1.00 0.82 H new ATOM 0 HG2 LYS B 48 21.768 8.587 -3.299 1.00 1.41 H new ATOM 0 HG3 LYS B 48 21.660 7.581 -4.730 1.00 1.41 H new ATOM 0 HD2 LYS B 48 22.690 9.606 -5.445 1.00 2.04 H new ATOM 0 HD3 LYS B 48 21.046 9.673 -6.048 1.00 2.04 H new ATOM 0 HE2 LYS B 48 21.825 10.943 -3.404 1.00 2.61 H new ATOM 0 HE3 LYS B 48 22.015 11.795 -4.924 1.00 2.61 H new ATOM 0 HZ1 LYS B 48 19.921 12.427 -4.662 1.00 3.21 H new ATOM 0 HZ2 LYS B 48 19.448 10.833 -5.009 1.00 3.21 H new ATOM 0 HZ3 LYS B 48 19.649 11.327 -3.397 1.00 3.21 H new ATOM 3050 N ARG B 49 19.457 5.676 -4.976 1.00 0.54 N ATOM 3051 CA ARG B 49 19.816 4.300 -5.321 1.00 0.54 C ATOM 3052 C ARG B 49 20.013 3.469 -4.058 1.00 0.51 C ATOM 3053 O ARG B 49 20.642 3.921 -3.104 1.00 0.55 O ATOM 3054 CB ARG B 49 21.097 4.240 -6.167 1.00 0.66 C ATOM 3055 CG ARG B 49 21.562 2.821 -6.452 1.00 0.74 C ATOM 3056 CD ARG B 49 20.456 1.986 -7.083 1.00 0.73 C ATOM 3057 NE ARG B 49 20.345 2.199 -8.524 1.00 1.28 N ATOM 3058 CZ ARG B 49 20.376 1.215 -9.421 1.00 1.46 C ATOM 3059 NH1 ARG B 49 20.600 -0.036 -9.036 1.00 1.43 N ATOM 3060 NH2 ARG B 49 20.206 1.483 -10.706 1.00 2.26 N ATOM 0 H ARG B 49 19.258 5.813 -3.985 1.00 0.54 H new ATOM 0 HA ARG B 49 18.994 3.892 -5.909 1.00 0.54 H new ATOM 0 HB2 ARG B 49 20.925 4.755 -7.112 1.00 0.66 H new ATOM 0 HB3 ARG B 49 21.891 4.779 -5.650 1.00 0.66 H new ATOM 0 HG2 ARG B 49 22.424 2.847 -7.118 1.00 0.74 H new ATOM 0 HG3 ARG B 49 21.889 2.351 -5.524 1.00 0.74 H new ATOM 0 HD2 ARG B 49 20.647 0.931 -6.889 1.00 0.73 H new ATOM 0 HD3 ARG B 49 19.505 2.231 -6.609 1.00 0.73 H new ATOM 0 HE ARG B 49 20.238 3.155 -8.862 1.00 1.28 H new ATOM 0 HH11 ARG B 49 20.749 -0.247 -8.049 1.00 1.43 H new ATOM 0 HH12 ARG B 49 20.623 -0.786 -9.727 1.00 1.43 H new ATOM 0 HH21 ARG B 49 20.051 2.444 -11.010 1.00 2.26 H new ATOM 0 HH22 ARG B 49 20.230 0.728 -11.392 1.00 2.26 H new ATOM 3074 N THR B 50 19.463 2.259 -4.063 1.00 0.51 N ATOM 3075 CA THR B 50 19.664 1.310 -2.984 1.00 0.51 C ATOM 3076 C THR B 50 21.126 0.861 -2.905 1.00 0.61 C ATOM 3077 O THR B 50 21.580 0.027 -3.696 1.00 0.82 O ATOM 3078 CB THR B 50 18.739 0.090 -3.161 1.00 0.57 C ATOM 3079 OG1 THR B 50 18.826 -0.405 -4.504 1.00 0.69 O ATOM 3080 CG2 THR B 50 17.296 0.460 -2.853 1.00 0.57 C ATOM 0 H THR B 50 18.867 1.913 -4.815 1.00 0.51 H new ATOM 0 HA THR B 50 19.414 1.810 -2.048 1.00 0.51 H new ATOM 0 HB THR B 50 19.062 -0.685 -2.465 1.00 0.57 H new ATOM 0 HG1 THR B 50 19.768 -0.473 -4.767 1.00 0.69 H new ATOM 0 HG21 THR B 50 16.660 -0.415 -2.984 1.00 0.57 H new ATOM 0 HG22 THR B 50 17.222 0.811 -1.824 1.00 0.57 H new ATOM 0 HG23 THR B 50 16.970 1.250 -3.530 1.00 0.57 H new ATOM 3088 N ASP B 51 21.865 1.439 -1.962 1.00 0.58 N ATOM 3089 CA ASP B 51 23.282 1.129 -1.797 1.00 0.72 C ATOM 3090 C ASP B 51 23.480 0.173 -0.618 1.00 0.60 C ATOM 3091 O ASP B 51 22.507 -0.285 -0.025 1.00 0.58 O ATOM 3092 CB ASP B 51 24.089 2.418 -1.593 1.00 0.91 C ATOM 3093 CG ASP B 51 25.562 2.245 -1.918 1.00 1.35 C ATOM 3094 OD1 ASP B 51 25.935 2.385 -3.099 1.00 1.98 O ATOM 3095 OD2 ASP B 51 26.353 1.951 -0.999 1.00 1.91 O ATOM 0 H ASP B 51 21.505 2.126 -1.299 1.00 0.58 H new ATOM 0 HA ASP B 51 23.643 0.639 -2.701 1.00 0.72 H new ATOM 0 HB2 ASP B 51 23.673 3.206 -2.221 1.00 0.91 H new ATOM 0 HB3 ASP B 51 23.986 2.747 -0.559 1.00 0.91 H new ATOM 3100 N GLU B 52 24.732 -0.091 -0.268 1.00 0.68 N ATOM 3101 CA GLU B 52 25.078 -1.111 0.720 1.00 0.66 C ATOM 3102 C GLU B 52 24.659 -0.703 2.130 1.00 0.55 C ATOM 3103 O GLU B 52 23.759 -1.305 2.720 1.00 0.50 O ATOM 3104 CB GLU B 52 26.583 -1.360 0.692 1.00 0.83 C ATOM 3105 CG GLU B 52 27.120 -1.672 -0.693 1.00 1.57 C ATOM 3106 CD GLU B 52 28.629 -1.712 -0.728 1.00 2.22 C ATOM 3107 OE1 GLU B 52 29.248 -0.643 -0.900 1.00 2.89 O ATOM 3108 OE2 GLU B 52 29.203 -2.811 -0.578 1.00 2.79 O ATOM 0 H GLU B 52 25.539 0.395 -0.660 1.00 0.68 H new ATOM 0 HA GLU B 52 24.538 -2.022 0.460 1.00 0.66 H new ATOM 0 HB2 GLU B 52 27.096 -0.481 1.082 1.00 0.83 H new ATOM 0 HB3 GLU B 52 26.818 -2.189 1.359 1.00 0.83 H new ATOM 0 HG2 GLU B 52 26.726 -2.632 -1.025 1.00 1.57 H new ATOM 0 HG3 GLU B 52 26.762 -0.920 -1.397 1.00 1.57 H new ATOM 3115 N ALA B 53 25.300 0.336 2.657 1.00 0.58 N ATOM 3116 CA ALA B 53 25.046 0.784 4.024 1.00 0.58 C ATOM 3117 C ALA B 53 23.636 1.333 4.150 1.00 0.53 C ATOM 3118 O ALA B 53 23.066 1.393 5.241 1.00 0.58 O ATOM 3119 CB ALA B 53 26.061 1.837 4.440 1.00 0.70 C ATOM 0 H ALA B 53 26.000 0.885 2.158 1.00 0.58 H new ATOM 0 HA ALA B 53 25.146 -0.074 4.689 1.00 0.58 H new ATOM 0 HB1 ALA B 53 25.855 2.158 5.461 1.00 0.70 H new ATOM 0 HB2 ALA B 53 27.065 1.415 4.388 1.00 0.70 H new ATOM 0 HB3 ALA B 53 25.992 2.694 3.770 1.00 0.70 H new ATOM 3125 N ALA B 54 23.082 1.742 3.028 1.00 0.52 N ATOM 3126 CA ALA B 54 21.720 2.222 2.983 1.00 0.51 C ATOM 3127 C ALA B 54 20.733 1.072 3.101 1.00 0.39 C ATOM 3128 O ALA B 54 19.699 1.194 3.757 1.00 0.35 O ATOM 3129 CB ALA B 54 21.474 2.976 1.695 1.00 0.63 C ATOM 0 H ALA B 54 23.561 1.751 2.127 1.00 0.52 H new ATOM 0 HA ALA B 54 21.571 2.894 3.828 1.00 0.51 H new ATOM 0 HB1 ALA B 54 20.444 3.333 1.673 1.00 0.63 H new ATOM 0 HB2 ALA B 54 22.154 3.826 1.636 1.00 0.63 H new ATOM 0 HB3 ALA B 54 21.647 2.313 0.847 1.00 0.63 H new ATOM 3135 N PHE B 55 21.053 -0.045 2.463 1.00 0.38 N ATOM 3136 CA PHE B 55 20.135 -1.175 2.414 1.00 0.32 C ATOM 3137 C PHE B 55 20.110 -1.937 3.734 1.00 0.31 C ATOM 3138 O PHE B 55 19.097 -2.546 4.076 1.00 0.31 O ATOM 3139 CB PHE B 55 20.485 -2.127 1.274 1.00 0.41 C ATOM 3140 CG PHE B 55 19.269 -2.706 0.612 1.00 0.36 C ATOM 3141 CD1 PHE B 55 18.464 -3.614 1.279 1.00 1.25 C ATOM 3142 CD2 PHE B 55 18.918 -2.319 -0.668 1.00 1.23 C ATOM 3143 CE1 PHE B 55 17.334 -4.129 0.678 1.00 1.22 C ATOM 3144 CE2 PHE B 55 17.790 -2.829 -1.273 1.00 1.30 C ATOM 3145 CZ PHE B 55 16.996 -3.735 -0.601 1.00 0.46 C ATOM 0 H PHE B 55 21.936 -0.193 1.975 1.00 0.38 H new ATOM 0 HA PHE B 55 19.141 -0.765 2.234 1.00 0.32 H new ATOM 0 HB2 PHE B 55 21.080 -1.595 0.531 1.00 0.41 H new ATOM 0 HB3 PHE B 55 21.105 -2.937 1.659 1.00 0.41 H new ATOM 0 HD1 PHE B 55 18.724 -3.922 2.281 1.00 1.25 H new ATOM 0 HD2 PHE B 55 19.535 -1.609 -1.199 1.00 1.23 H new ATOM 0 HE1 PHE B 55 16.715 -4.839 1.207 1.00 1.22 H new ATOM 0 HE2 PHE B 55 17.527 -2.519 -2.274 1.00 1.30 H new ATOM 0 HZ PHE B 55 16.112 -4.135 -1.075 1.00 0.46 H new ATOM 3155 N GLN B 56 21.209 -1.908 4.481 1.00 0.35 N ATOM 3156 CA GLN B 56 21.224 -2.543 5.793 1.00 0.41 C ATOM 3157 C GLN B 56 20.261 -1.811 6.724 1.00 0.42 C ATOM 3158 O GLN B 56 19.716 -2.392 7.659 1.00 0.52 O ATOM 3159 CB GLN B 56 22.639 -2.600 6.382 1.00 0.51 C ATOM 3160 CG GLN B 56 23.243 -1.249 6.712 1.00 0.53 C ATOM 3161 CD GLN B 56 24.687 -1.357 7.156 1.00 0.69 C ATOM 3162 OE1 GLN B 56 25.422 -2.243 6.717 1.00 1.15 O ATOM 3163 NE2 GLN B 56 25.105 -0.463 8.034 1.00 1.53 N ATOM 0 H GLN B 56 22.084 -1.461 4.208 1.00 0.35 H new ATOM 0 HA GLN B 56 20.893 -3.576 5.683 1.00 0.41 H new ATOM 0 HB2 GLN B 56 22.616 -3.204 7.289 1.00 0.51 H new ATOM 0 HB3 GLN B 56 23.292 -3.112 5.675 1.00 0.51 H new ATOM 0 HG2 GLN B 56 23.182 -0.603 5.836 1.00 0.53 H new ATOM 0 HG3 GLN B 56 22.658 -0.775 7.500 1.00 0.53 H new ATOM 0 HE21 GLN B 56 24.466 0.256 8.374 1.00 1.53 H new ATOM 0 HE22 GLN B 56 26.067 -0.491 8.372 1.00 1.53 H new ATOM 3172 N LYS B 57 20.050 -0.530 6.437 1.00 0.36 N ATOM 3173 CA LYS B 57 18.995 0.237 7.075 1.00 0.39 C ATOM 3174 C LYS B 57 17.660 -0.114 6.435 1.00 0.34 C ATOM 3175 O LYS B 57 16.707 -0.474 7.119 1.00 0.41 O ATOM 3176 CB LYS B 57 19.250 1.737 6.914 1.00 0.44 C ATOM 3177 CG LYS B 57 20.534 2.217 7.560 1.00 0.54 C ATOM 3178 CD LYS B 57 20.897 3.612 7.086 1.00 0.61 C ATOM 3179 CE LYS B 57 22.191 4.094 7.720 1.00 0.79 C ATOM 3180 NZ LYS B 57 23.310 3.144 7.484 1.00 1.27 N ATOM 0 H LYS B 57 20.602 -0.002 5.761 1.00 0.36 H new ATOM 0 HA LYS B 57 18.978 -0.007 8.137 1.00 0.39 H new ATOM 0 HB2 LYS B 57 19.278 1.978 5.851 1.00 0.44 H new ATOM 0 HB3 LYS B 57 18.412 2.286 7.344 1.00 0.44 H new ATOM 0 HG2 LYS B 57 20.421 2.216 8.644 1.00 0.54 H new ATOM 0 HG3 LYS B 57 21.344 1.527 7.323 1.00 0.54 H new ATOM 0 HD2 LYS B 57 20.999 3.614 6.001 1.00 0.61 H new ATOM 0 HD3 LYS B 57 20.090 4.303 7.332 1.00 0.61 H new ATOM 0 HE2 LYS B 57 22.452 5.071 7.314 1.00 0.79 H new ATOM 0 HE3 LYS B 57 22.044 4.223 8.792 1.00 0.79 H new ATOM 0 HZ1 LYS B 57 24.194 3.675 7.350 1.00 1.27 H new ATOM 0 HZ2 LYS B 57 23.407 2.512 8.304 1.00 1.27 H new ATOM 0 HZ3 LYS B 57 23.113 2.580 6.633 1.00 1.27 H new ATOM 3194 N LEU B 58 17.631 -0.036 5.103 1.00 0.27 N ATOM 3195 CA LEU B 58 16.411 -0.226 4.326 1.00 0.25 C ATOM 3196 C LEU B 58 15.698 -1.515 4.688 1.00 0.24 C ATOM 3197 O LEU B 58 14.535 -1.492 5.071 1.00 0.26 O ATOM 3198 CB LEU B 58 16.714 -0.234 2.829 1.00 0.22 C ATOM 3199 CG LEU B 58 15.471 -0.393 1.962 1.00 0.22 C ATOM 3200 CD1 LEU B 58 14.554 0.784 2.172 1.00 0.26 C ATOM 3201 CD2 LEU B 58 15.823 -0.524 0.495 1.00 0.23 C ATOM 0 H LEU B 58 18.455 0.161 4.535 1.00 0.27 H new ATOM 0 HA LEU B 58 15.758 0.612 4.568 1.00 0.25 H new ATOM 0 HB2 LEU B 58 17.218 0.695 2.563 1.00 0.22 H new ATOM 0 HB3 LEU B 58 17.407 -1.046 2.610 1.00 0.22 H new ATOM 0 HG LEU B 58 14.966 -1.311 2.261 1.00 0.22 H new ATOM 0 HD11 LEU B 58 13.666 0.668 1.551 1.00 0.26 H new ATOM 0 HD12 LEU B 58 14.260 0.834 3.220 1.00 0.26 H new ATOM 0 HD13 LEU B 58 15.072 1.703 1.897 1.00 0.26 H new ATOM 0 HD21 LEU B 58 14.910 -0.635 -0.090 1.00 0.23 H new ATOM 0 HD22 LEU B 58 16.357 0.368 0.168 1.00 0.23 H new ATOM 0 HD23 LEU B 58 16.456 -1.399 0.349 1.00 0.23 H new ATOM 3213 N MET B 59 16.400 -2.627 4.551 1.00 0.24 N ATOM 3214 CA MET B 59 15.850 -3.940 4.863 1.00 0.27 C ATOM 3215 C MET B 59 15.093 -3.930 6.182 1.00 0.34 C ATOM 3216 O MET B 59 13.929 -4.303 6.235 1.00 0.41 O ATOM 3217 CB MET B 59 16.983 -4.972 4.885 1.00 0.28 C ATOM 3218 CG MET B 59 16.778 -6.163 5.820 1.00 0.30 C ATOM 3219 SD MET B 59 15.171 -6.967 5.667 1.00 0.31 S ATOM 3220 CE MET B 59 15.047 -7.182 3.904 1.00 0.25 C ATOM 0 H MET B 59 17.365 -2.648 4.221 1.00 0.24 H new ATOM 0 HA MET B 59 15.132 -4.212 4.089 1.00 0.27 H new ATOM 0 HB2 MET B 59 17.125 -5.349 3.872 1.00 0.28 H new ATOM 0 HB3 MET B 59 17.905 -4.465 5.169 1.00 0.28 H new ATOM 0 HG2 MET B 59 17.558 -6.899 5.626 1.00 0.30 H new ATOM 0 HG3 MET B 59 16.905 -5.827 6.849 1.00 0.30 H new ATOM 0 HE1 MET B 59 14.466 -8.078 3.687 1.00 0.25 H new ATOM 0 HE2 MET B 59 14.554 -6.315 3.465 1.00 0.25 H new ATOM 0 HE3 MET B 59 16.045 -7.285 3.479 1.00 0.25 H new ATOM 3230 N SER B 60 15.731 -3.446 7.225 1.00 0.39 N ATOM 3231 CA SER B 60 15.159 -3.535 8.547 1.00 0.51 C ATOM 3232 C SER B 60 14.216 -2.361 8.823 1.00 0.44 C ATOM 3233 O SER B 60 13.593 -2.279 9.881 1.00 0.51 O ATOM 3234 CB SER B 60 16.273 -3.640 9.572 1.00 0.70 C ATOM 3235 OG SER B 60 15.773 -4.043 10.837 1.00 1.36 O ATOM 0 H SER B 60 16.642 -2.989 7.182 1.00 0.39 H new ATOM 0 HA SER B 60 14.549 -4.435 8.618 1.00 0.51 H new ATOM 0 HB2 SER B 60 17.020 -4.356 9.229 1.00 0.70 H new ATOM 0 HB3 SER B 60 16.775 -2.677 9.667 1.00 0.70 H new ATOM 0 HG SER B 60 14.842 -4.334 10.743 1.00 1.36 H new ATOM 3241 N ASN B 61 14.111 -1.461 7.856 1.00 0.37 N ATOM 3242 CA ASN B 61 13.067 -0.449 7.867 1.00 0.42 C ATOM 3243 C ASN B 61 11.767 -1.113 7.463 1.00 0.44 C ATOM 3244 O ASN B 61 10.682 -0.678 7.837 1.00 0.64 O ATOM 3245 CB ASN B 61 13.410 0.696 6.919 1.00 0.46 C ATOM 3246 CG ASN B 61 14.307 1.726 7.574 1.00 0.47 C ATOM 3247 OD1 ASN B 61 14.247 2.948 7.087 1.00 0.96 O flip ATOM 3248 ND2 ASN B 61 15.053 1.426 8.503 1.00 0.92 N flip ATOM 0 H ASN B 61 14.738 -1.412 7.053 1.00 0.37 H new ATOM 0 HA ASN B 61 12.973 -0.021 8.865 1.00 0.42 H new ATOM 0 HB2 ASN B 61 13.903 0.297 6.032 1.00 0.46 H new ATOM 0 HB3 ASN B 61 12.491 1.177 6.584 1.00 0.46 H new ATOM 0 HD21 ASN B 61 15.072 0.468 8.853 1.00 0.92 H new ATOM 0 HD22 ASN B 61 15.654 2.135 8.924 1.00 0.92 H new ATOM 3255 N LEU B 62 11.913 -2.204 6.721 1.00 0.33 N ATOM 3256 CA LEU B 62 10.790 -3.023 6.304 1.00 0.39 C ATOM 3257 C LEU B 62 10.844 -4.377 7.004 1.00 0.54 C ATOM 3258 O LEU B 62 10.122 -5.302 6.652 1.00 1.18 O ATOM 3259 CB LEU B 62 10.796 -3.230 4.787 1.00 0.35 C ATOM 3260 CG LEU B 62 10.584 -1.984 3.929 1.00 0.25 C ATOM 3261 CD1 LEU B 62 9.395 -1.189 4.425 1.00 0.24 C ATOM 3262 CD2 LEU B 62 11.826 -1.118 3.879 1.00 0.22 C ATOM 0 H LEU B 62 12.817 -2.543 6.393 1.00 0.33 H new ATOM 0 HA LEU B 62 9.872 -2.505 6.580 1.00 0.39 H new ATOM 0 HB2 LEU B 62 11.749 -3.679 4.508 1.00 0.35 H new ATOM 0 HB3 LEU B 62 10.019 -3.952 4.538 1.00 0.35 H new ATOM 0 HG LEU B 62 10.378 -2.318 2.912 1.00 0.25 H new ATOM 0 HD11 LEU B 62 9.262 -0.306 3.800 1.00 0.24 H new ATOM 0 HD12 LEU B 62 8.498 -1.807 4.376 1.00 0.24 H new ATOM 0 HD13 LEU B 62 9.568 -0.881 5.456 1.00 0.24 H new ATOM 0 HD21 LEU B 62 11.634 -0.242 3.259 1.00 0.22 H new ATOM 0 HD22 LEU B 62 12.088 -0.798 4.888 1.00 0.22 H new ATOM 0 HD23 LEU B 62 12.651 -1.690 3.454 1.00 0.22 H new ATOM 3274 N ASP B 63 11.717 -4.491 7.986 1.00 0.31 N ATOM 3275 CA ASP B 63 11.802 -5.698 8.793 1.00 0.33 C ATOM 3276 C ASP B 63 12.009 -5.335 10.248 1.00 0.37 C ATOM 3277 O ASP B 63 13.106 -4.949 10.665 1.00 0.43 O ATOM 3278 CB ASP B 63 12.920 -6.629 8.315 1.00 0.40 C ATOM 3279 CG ASP B 63 13.219 -7.723 9.321 1.00 0.38 C ATOM 3280 OD1 ASP B 63 12.264 -8.320 9.860 1.00 1.08 O ATOM 3281 OD2 ASP B 63 14.414 -7.966 9.603 1.00 1.15 O ATOM 0 H ASP B 63 12.380 -3.761 8.247 1.00 0.31 H new ATOM 0 HA ASP B 63 10.860 -6.236 8.683 1.00 0.33 H new ATOM 0 HB2 ASP B 63 12.635 -7.079 7.364 1.00 0.40 H new ATOM 0 HB3 ASP B 63 13.823 -6.047 8.134 1.00 0.40 H new ATOM 3286 N SER B 64 10.947 -5.466 11.016 1.00 0.43 N ATOM 3287 CA SER B 64 10.973 -5.109 12.416 1.00 0.52 C ATOM 3288 C SER B 64 11.462 -6.287 13.253 1.00 0.58 C ATOM 3289 O SER B 64 11.591 -6.186 14.472 1.00 0.71 O ATOM 3290 CB SER B 64 9.577 -4.666 12.855 1.00 0.67 C ATOM 3291 OG SER B 64 9.071 -3.658 11.989 1.00 1.14 O ATOM 0 H SER B 64 10.048 -5.821 10.689 1.00 0.43 H new ATOM 0 HA SER B 64 11.666 -4.281 12.567 1.00 0.52 H new ATOM 0 HB2 SER B 64 8.903 -5.522 12.857 1.00 0.67 H new ATOM 0 HB3 SER B 64 9.615 -4.288 13.877 1.00 0.67 H new ATOM 0 HG SER B 64 8.415 -4.052 11.377 1.00 1.14 H new ATOM 3297 N ASN B 65 11.748 -7.406 12.592 1.00 0.60 N ATOM 3298 CA ASN B 65 12.275 -8.579 13.279 1.00 0.75 C ATOM 3299 C ASN B 65 13.778 -8.449 13.438 1.00 0.76 C ATOM 3300 O ASN B 65 14.379 -9.118 14.282 1.00 0.91 O ATOM 3301 CB ASN B 65 11.970 -9.872 12.513 1.00 0.89 C ATOM 3302 CG ASN B 65 10.498 -10.056 12.208 1.00 1.52 C ATOM 3303 OD1 ASN B 65 9.740 -10.581 13.025 1.00 1.87 O ATOM 3304 ND2 ASN B 65 10.094 -9.649 11.018 1.00 2.34 N ATOM 0 H ASN B 65 11.624 -7.524 11.586 1.00 0.60 H new ATOM 0 HA ASN B 65 11.790 -8.632 14.254 1.00 0.75 H new ATOM 0 HB2 ASN B 65 12.530 -9.873 11.578 1.00 0.89 H new ATOM 0 HB3 ASN B 65 12.322 -10.723 13.096 1.00 0.89 H new ATOM 0 HD21 ASN B 65 9.118 -9.764 10.744 1.00 2.34 H new ATOM 0 HD22 ASN B 65 10.758 -9.219 10.374 1.00 2.34 H new ATOM 3311 N ARG B 66 14.374 -7.588 12.610 1.00 0.68 N ATOM 3312 CA ARG B 66 15.818 -7.369 12.613 1.00 0.81 C ATOM 3313 C ARG B 66 16.540 -8.647 12.208 1.00 0.88 C ATOM 3314 O ARG B 66 17.611 -8.960 12.723 1.00 1.11 O ATOM 3315 CB ARG B 66 16.292 -6.902 13.997 1.00 1.04 C ATOM 3316 CG ARG B 66 15.790 -5.520 14.386 1.00 1.10 C ATOM 3317 CD ARG B 66 16.895 -4.477 14.300 1.00 1.39 C ATOM 3318 NE ARG B 66 17.424 -4.329 12.946 1.00 2.08 N ATOM 3319 CZ ARG B 66 18.722 -4.215 12.658 1.00 2.77 C ATOM 3320 NH1 ARG B 66 19.628 -4.212 13.629 1.00 2.86 N ATOM 3321 NH2 ARG B 66 19.105 -4.089 11.395 1.00 3.79 N ATOM 0 H ARG B 66 13.870 -7.027 11.923 1.00 0.68 H new ATOM 0 HA ARG B 66 16.053 -6.587 11.891 1.00 0.81 H new ATOM 0 HB2 ARG B 66 15.961 -7.622 14.746 1.00 1.04 H new ATOM 0 HB3 ARG B 66 17.382 -6.901 14.016 1.00 1.04 H new ATOM 0 HG2 ARG B 66 14.967 -5.234 13.731 1.00 1.10 H new ATOM 0 HG3 ARG B 66 15.394 -5.549 15.401 1.00 1.10 H new ATOM 0 HD2 ARG B 66 16.510 -3.516 14.643 1.00 1.39 H new ATOM 0 HD3 ARG B 66 17.705 -4.755 14.974 1.00 1.39 H new ATOM 0 HE ARG B 66 16.759 -4.312 12.172 1.00 2.08 H new ATOM 0 HH11 ARG B 66 19.333 -4.297 14.602 1.00 2.86 H new ATOM 0 HH12 ARG B 66 20.619 -4.125 13.402 1.00 2.86 H new ATOM 0 HH21 ARG B 66 18.409 -4.080 10.650 1.00 3.79 H new ATOM 0 HH22 ARG B 66 20.096 -4.001 11.169 1.00 3.79 H new ATOM 3335 N ASP B 67 15.965 -9.366 11.250 1.00 0.75 N ATOM 3336 CA ASP B 67 16.496 -10.666 10.855 1.00 0.88 C ATOM 3337 C ASP B 67 16.776 -10.677 9.361 1.00 0.77 C ATOM 3338 O ASP B 67 17.272 -11.660 8.811 1.00 0.96 O ATOM 3339 CB ASP B 67 15.519 -11.785 11.232 1.00 1.00 C ATOM 3340 CG ASP B 67 16.123 -13.166 11.062 1.00 1.39 C ATOM 3341 OD1 ASP B 67 17.024 -13.528 11.851 1.00 1.93 O ATOM 3342 OD2 ASP B 67 15.710 -13.893 10.139 1.00 1.95 O ATOM 0 H ASP B 67 15.135 -9.073 10.735 1.00 0.75 H new ATOM 0 HA ASP B 67 17.430 -10.842 11.388 1.00 0.88 H new ATOM 0 HB2 ASP B 67 15.205 -11.655 12.267 1.00 1.00 H new ATOM 0 HB3 ASP B 67 14.624 -11.705 10.615 1.00 1.00 H new ATOM 3347 N ASN B 68 16.446 -9.557 8.718 1.00 0.62 N ATOM 3348 CA ASN B 68 16.754 -9.327 7.306 1.00 0.55 C ATOM 3349 C ASN B 68 15.783 -10.076 6.412 1.00 0.43 C ATOM 3350 O ASN B 68 16.178 -10.704 5.427 1.00 0.57 O ATOM 3351 CB ASN B 68 18.202 -9.711 6.960 1.00 0.77 C ATOM 3352 CG ASN B 68 19.243 -8.806 7.599 1.00 1.30 C ATOM 3353 OD1 ASN B 68 18.964 -8.312 8.793 1.00 1.41 O flip ATOM 3354 ND2 ASN B 68 20.301 -8.563 7.022 1.00 2.22 N flip ATOM 0 H ASN B 68 15.956 -8.781 9.163 1.00 0.62 H new ATOM 0 HA ASN B 68 16.645 -8.257 7.127 1.00 0.55 H new ATOM 0 HB2 ASN B 68 18.382 -10.738 7.278 1.00 0.77 H new ATOM 0 HB3 ASN B 68 18.327 -9.686 5.877 1.00 0.77 H new ATOM 0 HD21 ASN B 68 20.483 -8.962 6.101 1.00 2.22 H new ATOM 0 HD22 ASN B 68 20.997 -7.963 7.464 1.00 2.22 H new ATOM 3361 N GLU B 69 14.505 -9.989 6.747 1.00 0.42 N ATOM 3362 CA GLU B 69 13.463 -10.592 5.937 1.00 0.42 C ATOM 3363 C GLU B 69 12.141 -9.853 6.111 1.00 0.39 C ATOM 3364 O GLU B 69 11.614 -9.724 7.217 1.00 0.54 O ATOM 3365 CB GLU B 69 13.298 -12.075 6.272 1.00 0.60 C ATOM 3366 CG GLU B 69 13.154 -12.360 7.757 1.00 1.04 C ATOM 3367 CD GLU B 69 12.672 -13.767 8.028 1.00 1.44 C ATOM 3368 OE1 GLU B 69 13.358 -14.728 7.622 1.00 1.84 O ATOM 3369 OE2 GLU B 69 11.598 -13.921 8.651 1.00 2.09 O ATOM 0 H GLU B 69 14.166 -9.504 7.578 1.00 0.42 H new ATOM 0 HA GLU B 69 13.764 -10.511 4.893 1.00 0.42 H new ATOM 0 HB2 GLU B 69 12.420 -12.459 5.752 1.00 0.60 H new ATOM 0 HB3 GLU B 69 14.160 -12.622 5.889 1.00 0.60 H new ATOM 0 HG2 GLU B 69 14.115 -12.207 8.249 1.00 1.04 H new ATOM 0 HG3 GLU B 69 12.454 -11.648 8.195 1.00 1.04 H new ATOM 3376 N VAL B 70 11.622 -9.359 5.005 1.00 0.28 N ATOM 3377 CA VAL B 70 10.365 -8.639 4.988 1.00 0.25 C ATOM 3378 C VAL B 70 9.181 -9.589 4.938 1.00 0.25 C ATOM 3379 O VAL B 70 9.137 -10.507 4.115 1.00 0.33 O ATOM 3380 CB VAL B 70 10.316 -7.666 3.794 1.00 0.26 C ATOM 3381 CG1 VAL B 70 8.893 -7.286 3.434 1.00 0.29 C ATOM 3382 CG2 VAL B 70 11.096 -6.427 4.131 1.00 0.30 C ATOM 0 H VAL B 70 12.062 -9.446 4.089 1.00 0.28 H new ATOM 0 HA VAL B 70 10.299 -8.068 5.914 1.00 0.25 H new ATOM 0 HB VAL B 70 10.755 -8.168 2.932 1.00 0.26 H new ATOM 0 HG11 VAL B 70 8.903 -6.599 2.588 1.00 0.29 H new ATOM 0 HG12 VAL B 70 8.333 -8.183 3.167 1.00 0.29 H new ATOM 0 HG13 VAL B 70 8.418 -6.803 4.288 1.00 0.29 H new ATOM 0 HG21 VAL B 70 11.064 -5.736 3.288 1.00 0.30 H new ATOM 0 HG22 VAL B 70 10.660 -5.950 5.008 1.00 0.30 H new ATOM 0 HG23 VAL B 70 12.132 -6.695 4.341 1.00 0.30 H new ATOM 3392 N ASP B 71 8.237 -9.365 5.842 1.00 0.25 N ATOM 3393 CA ASP B 71 7.010 -10.142 5.883 1.00 0.29 C ATOM 3394 C ASP B 71 5.909 -9.452 5.104 1.00 0.22 C ATOM 3395 O ASP B 71 6.095 -8.349 4.601 1.00 0.21 O ATOM 3396 CB ASP B 71 6.551 -10.371 7.328 1.00 0.42 C ATOM 3397 CG ASP B 71 7.362 -11.430 8.035 1.00 1.18 C ATOM 3398 OD1 ASP B 71 7.043 -12.627 7.874 1.00 1.72 O ATOM 3399 OD2 ASP B 71 8.319 -11.075 8.755 1.00 2.06 O ATOM 0 H ASP B 71 8.301 -8.645 6.562 1.00 0.25 H new ATOM 0 HA ASP B 71 7.219 -11.108 5.423 1.00 0.29 H new ATOM 0 HB2 ASP B 71 6.623 -9.434 7.881 1.00 0.42 H new ATOM 0 HB3 ASP B 71 5.501 -10.662 7.330 1.00 0.42 H new ATOM 3404 N PHE B 72 4.753 -10.094 5.038 1.00 0.21 N ATOM 3405 CA PHE B 72 3.666 -9.627 4.195 1.00 0.19 C ATOM 3406 C PHE B 72 3.206 -8.226 4.588 1.00 0.15 C ATOM 3407 O PHE B 72 3.213 -7.319 3.755 1.00 0.14 O ATOM 3408 CB PHE B 72 2.489 -10.597 4.248 1.00 0.21 C ATOM 3409 CG PHE B 72 1.716 -10.663 2.962 1.00 0.20 C ATOM 3410 CD1 PHE B 72 1.781 -9.629 2.039 1.00 1.18 C ATOM 3411 CD2 PHE B 72 0.937 -11.765 2.670 1.00 1.19 C ATOM 3412 CE1 PHE B 72 1.080 -9.693 0.852 1.00 1.20 C ATOM 3413 CE2 PHE B 72 0.235 -11.834 1.486 1.00 1.20 C ATOM 3414 CZ PHE B 72 0.307 -10.797 0.577 1.00 0.32 C ATOM 0 H PHE B 72 4.544 -10.944 5.561 1.00 0.21 H new ATOM 0 HA PHE B 72 4.046 -9.581 3.174 1.00 0.19 H new ATOM 0 HB2 PHE B 72 2.858 -11.593 4.493 1.00 0.21 H new ATOM 0 HB3 PHE B 72 1.817 -10.299 5.053 1.00 0.21 H new ATOM 0 HD1 PHE B 72 2.389 -8.762 2.252 1.00 1.18 H new ATOM 0 HD2 PHE B 72 0.877 -12.580 3.376 1.00 1.19 H new ATOM 0 HE1 PHE B 72 1.138 -8.881 0.143 1.00 1.20 H new ATOM 0 HE2 PHE B 72 -0.372 -12.700 1.269 1.00 1.20 H new ATOM 0 HZ PHE B 72 -0.244 -10.853 -0.350 1.00 0.32 H new ATOM 3424 N GLN B 73 2.810 -8.037 5.845 1.00 0.15 N ATOM 3425 CA GLN B 73 2.288 -6.740 6.266 1.00 0.14 C ATOM 3426 C GLN B 73 3.366 -5.672 6.157 1.00 0.12 C ATOM 3427 O GLN B 73 3.076 -4.560 5.730 1.00 0.13 O ATOM 3428 CB GLN B 73 1.723 -6.769 7.691 1.00 0.16 C ATOM 3429 CG GLN B 73 0.556 -5.821 7.889 1.00 0.26 C ATOM 3430 CD GLN B 73 0.125 -5.741 9.337 1.00 0.22 C ATOM 3431 OE1 GLN B 73 -0.713 -6.517 9.792 1.00 0.68 O ATOM 3432 NE2 GLN B 73 0.694 -4.802 10.069 1.00 0.60 N ATOM 0 H GLN B 73 2.839 -8.749 6.575 1.00 0.15 H new ATOM 0 HA GLN B 73 1.465 -6.498 5.594 1.00 0.14 H new ATOM 0 HB2 GLN B 73 1.403 -7.784 7.928 1.00 0.16 H new ATOM 0 HB3 GLN B 73 2.515 -6.512 8.395 1.00 0.16 H new ATOM 0 HG2 GLN B 73 0.834 -4.827 7.539 1.00 0.26 H new ATOM 0 HG3 GLN B 73 -0.285 -6.150 7.279 1.00 0.26 H new ATOM 0 HE21 GLN B 73 1.385 -4.179 9.652 1.00 0.60 H new ATOM 0 HE22 GLN B 73 0.443 -4.700 11.052 1.00 0.60 H new ATOM 3441 N GLU B 74 4.616 -6.025 6.477 1.00 0.14 N ATOM 3442 CA GLU B 74 5.691 -5.050 6.474 1.00 0.17 C ATOM 3443 C GLU B 74 6.080 -4.719 5.036 1.00 0.14 C ATOM 3444 O GLU B 74 6.598 -3.645 4.745 1.00 0.16 O ATOM 3445 CB GLU B 74 6.899 -5.566 7.247 1.00 0.27 C ATOM 3446 CG GLU B 74 7.714 -4.458 7.897 1.00 0.38 C ATOM 3447 CD GLU B 74 7.103 -3.948 9.182 1.00 0.43 C ATOM 3448 OE1 GLU B 74 7.190 -4.661 10.205 1.00 1.10 O ATOM 3449 OE2 GLU B 74 6.556 -2.834 9.190 1.00 1.21 O ATOM 0 H GLU B 74 4.898 -6.970 6.737 1.00 0.14 H new ATOM 0 HA GLU B 74 5.341 -4.144 6.969 1.00 0.17 H new ATOM 0 HB2 GLU B 74 6.560 -6.258 8.018 1.00 0.27 H new ATOM 0 HB3 GLU B 74 7.541 -6.131 6.571 1.00 0.27 H new ATOM 0 HG2 GLU B 74 8.719 -4.827 8.101 1.00 0.38 H new ATOM 0 HG3 GLU B 74 7.814 -3.630 7.196 1.00 0.38 H new ATOM 3456 N TYR B 75 5.809 -5.657 4.138 1.00 0.14 N ATOM 3457 CA TYR B 75 5.998 -5.435 2.715 1.00 0.14 C ATOM 3458 C TYR B 75 4.902 -4.529 2.178 1.00 0.11 C ATOM 3459 O TYR B 75 5.132 -3.703 1.302 1.00 0.13 O ATOM 3460 CB TYR B 75 5.987 -6.769 1.960 1.00 0.16 C ATOM 3461 CG TYR B 75 6.080 -6.630 0.458 1.00 0.17 C ATOM 3462 CD1 TYR B 75 4.958 -6.321 -0.297 1.00 1.19 C ATOM 3463 CD2 TYR B 75 7.287 -6.805 -0.198 1.00 1.21 C ATOM 3464 CE1 TYR B 75 5.029 -6.187 -1.667 1.00 1.20 C ATOM 3465 CE2 TYR B 75 7.371 -6.670 -1.574 1.00 1.22 C ATOM 3466 CZ TYR B 75 6.237 -6.362 -2.303 1.00 0.22 C ATOM 3467 OH TYR B 75 6.312 -6.226 -3.670 1.00 0.26 O ATOM 0 H TYR B 75 5.455 -6.584 4.375 1.00 0.14 H new ATOM 0 HA TYR B 75 6.965 -4.954 2.564 1.00 0.14 H new ATOM 0 HB2 TYR B 75 6.820 -7.379 2.310 1.00 0.16 H new ATOM 0 HB3 TYR B 75 5.072 -7.307 2.208 1.00 0.16 H new ATOM 0 HD1 TYR B 75 4.009 -6.182 0.199 1.00 1.19 H new ATOM 0 HD2 TYR B 75 8.173 -7.049 0.370 1.00 1.21 H new ATOM 0 HE1 TYR B 75 4.144 -5.947 -2.237 1.00 1.20 H new ATOM 0 HE2 TYR B 75 8.318 -6.805 -2.075 1.00 1.22 H new ATOM 0 HH TYR B 75 6.666 -5.339 -3.892 1.00 0.26 H new ATOM 3477 N CYS B 76 3.701 -4.691 2.693 1.00 0.11 N ATOM 3478 CA CYS B 76 2.588 -3.910 2.209 1.00 0.12 C ATOM 3479 C CYS B 76 2.629 -2.506 2.795 1.00 0.12 C ATOM 3480 O CYS B 76 2.395 -1.531 2.088 1.00 0.13 O ATOM 3481 CB CYS B 76 1.266 -4.596 2.533 1.00 0.14 C ATOM 3482 SG CYS B 76 1.162 -6.299 1.948 1.00 0.22 S ATOM 0 H CYS B 76 3.474 -5.349 3.438 1.00 0.11 H new ATOM 0 HA CYS B 76 2.668 -3.830 1.125 1.00 0.12 H new ATOM 0 HB2 CYS B 76 1.117 -4.584 3.613 1.00 0.14 H new ATOM 0 HB3 CYS B 76 0.452 -4.021 2.092 1.00 0.14 H new ATOM 0 HG CYS B 76 1.702 -7.093 2.825 1.00 0.22 H new ATOM 3488 N VAL B 77 2.931 -2.398 4.083 1.00 0.13 N ATOM 3489 CA VAL B 77 3.119 -1.091 4.698 1.00 0.14 C ATOM 3490 C VAL B 77 4.285 -0.390 4.017 1.00 0.14 C ATOM 3491 O VAL B 77 4.259 0.812 3.829 1.00 0.19 O ATOM 3492 CB VAL B 77 3.371 -1.194 6.216 1.00 0.16 C ATOM 3493 CG1 VAL B 77 4.547 -2.088 6.464 1.00 0.14 C ATOM 3494 CG2 VAL B 77 3.611 0.164 6.849 1.00 0.20 C ATOM 0 H VAL B 77 3.050 -3.190 4.715 1.00 0.13 H new ATOM 0 HA VAL B 77 2.203 -0.515 4.567 1.00 0.14 H new ATOM 0 HB VAL B 77 2.476 -1.613 6.677 1.00 0.16 H new ATOM 0 HG11 VAL B 77 4.728 -2.163 7.536 1.00 0.14 H new ATOM 0 HG12 VAL B 77 4.342 -3.080 6.061 1.00 0.14 H new ATOM 0 HG13 VAL B 77 5.429 -1.673 5.976 1.00 0.14 H new ATOM 0 HG21 VAL B 77 3.784 0.042 7.918 1.00 0.20 H new ATOM 0 HG22 VAL B 77 4.484 0.630 6.391 1.00 0.20 H new ATOM 0 HG23 VAL B 77 2.738 0.798 6.693 1.00 0.20 H new ATOM 3504 N PHE B 78 5.291 -1.173 3.632 1.00 0.11 N ATOM 3505 CA PHE B 78 6.365 -0.704 2.763 1.00 0.11 C ATOM 3506 C PHE B 78 5.786 0.076 1.597 1.00 0.11 C ATOM 3507 O PHE B 78 6.233 1.177 1.275 1.00 0.11 O ATOM 3508 CB PHE B 78 7.149 -1.919 2.253 1.00 0.12 C ATOM 3509 CG PHE B 78 7.978 -1.684 1.025 1.00 0.12 C ATOM 3510 CD1 PHE B 78 7.435 -1.871 -0.238 1.00 1.18 C ATOM 3511 CD2 PHE B 78 9.297 -1.303 1.135 1.00 1.17 C ATOM 3512 CE1 PHE B 78 8.196 -1.675 -1.368 1.00 1.18 C ATOM 3513 CE2 PHE B 78 10.070 -1.109 0.009 1.00 1.18 C ATOM 3514 CZ PHE B 78 9.519 -1.294 -1.246 1.00 0.15 C ATOM 0 H PHE B 78 5.383 -2.149 3.914 1.00 0.11 H new ATOM 0 HA PHE B 78 7.032 -0.044 3.319 1.00 0.11 H new ATOM 0 HB2 PHE B 78 7.804 -2.268 3.051 1.00 0.12 H new ATOM 0 HB3 PHE B 78 6.444 -2.724 2.045 1.00 0.12 H new ATOM 0 HD1 PHE B 78 6.403 -2.174 -0.336 1.00 1.18 H new ATOM 0 HD2 PHE B 78 9.731 -1.155 2.113 1.00 1.17 H new ATOM 0 HE1 PHE B 78 7.761 -1.818 -2.346 1.00 1.18 H new ATOM 0 HE2 PHE B 78 11.104 -0.813 0.107 1.00 1.18 H new ATOM 0 HZ PHE B 78 10.121 -1.141 -2.129 1.00 0.15 H new ATOM 3524 N LEU B 79 4.766 -0.506 0.990 1.00 0.14 N ATOM 3525 CA LEU B 79 4.103 0.093 -0.146 1.00 0.16 C ATOM 3526 C LEU B 79 3.390 1.371 0.230 1.00 0.17 C ATOM 3527 O LEU B 79 3.529 2.395 -0.439 1.00 0.20 O ATOM 3528 CB LEU B 79 3.110 -0.884 -0.757 1.00 0.15 C ATOM 3529 CG LEU B 79 3.709 -1.890 -1.721 1.00 0.15 C ATOM 3530 CD1 LEU B 79 3.403 -3.302 -1.279 1.00 0.19 C ATOM 3531 CD2 LEU B 79 3.158 -1.640 -3.097 1.00 0.14 C ATOM 0 H LEU B 79 4.378 -1.406 1.273 1.00 0.14 H new ATOM 0 HA LEU B 79 4.873 0.337 -0.878 1.00 0.16 H new ATOM 0 HB2 LEU B 79 2.615 -1.426 0.048 1.00 0.15 H new ATOM 0 HB3 LEU B 79 2.340 -0.317 -1.280 1.00 0.15 H new ATOM 0 HG LEU B 79 4.793 -1.772 -1.735 1.00 0.15 H new ATOM 0 HD11 LEU B 79 3.842 -4.007 -1.985 1.00 0.19 H new ATOM 0 HD12 LEU B 79 3.823 -3.472 -0.288 1.00 0.19 H new ATOM 0 HD13 LEU B 79 2.323 -3.447 -1.246 1.00 0.19 H new ATOM 0 HD21 LEU B 79 3.584 -2.360 -3.796 1.00 0.14 H new ATOM 0 HD22 LEU B 79 2.074 -1.749 -3.080 1.00 0.14 H new ATOM 0 HD23 LEU B 79 3.416 -0.630 -3.414 1.00 0.14 H new ATOM 3543 N SER B 80 2.641 1.328 1.309 1.00 0.19 N ATOM 3544 CA SER B 80 1.860 2.470 1.703 1.00 0.21 C ATOM 3545 C SER B 80 2.766 3.560 2.233 1.00 0.20 C ATOM 3546 O SER B 80 2.450 4.735 2.163 1.00 0.24 O ATOM 3547 CB SER B 80 0.826 2.058 2.730 1.00 0.22 C ATOM 3548 OG SER B 80 1.307 1.013 3.553 1.00 0.18 O ATOM 0 H SER B 80 2.559 0.518 1.924 1.00 0.19 H new ATOM 0 HA SER B 80 1.333 2.867 0.836 1.00 0.21 H new ATOM 0 HB2 SER B 80 0.561 2.917 3.347 1.00 0.22 H new ATOM 0 HB3 SER B 80 -0.084 1.736 2.224 1.00 0.22 H new ATOM 0 HG SER B 80 0.550 0.513 3.922 1.00 0.18 H new ATOM 3554 N CYS B 81 3.909 3.149 2.739 1.00 0.17 N ATOM 3555 CA CYS B 81 4.926 4.069 3.185 1.00 0.18 C ATOM 3556 C CYS B 81 5.619 4.725 2.011 1.00 0.33 C ATOM 3557 O CYS B 81 6.326 5.703 2.187 1.00 0.72 O ATOM 3558 CB CYS B 81 5.928 3.353 4.071 1.00 0.30 C ATOM 3559 SG CYS B 81 5.203 2.775 5.616 1.00 1.83 S ATOM 0 H CYS B 81 4.157 2.166 2.852 1.00 0.17 H new ATOM 0 HA CYS B 81 4.446 4.855 3.768 1.00 0.18 H new ATOM 0 HB2 CYS B 81 6.344 2.503 3.529 1.00 0.30 H new ATOM 0 HB3 CYS B 81 6.756 4.026 4.293 1.00 0.30 H new ATOM 0 HG CYS B 81 4.382 1.797 5.371 1.00 1.83 H new ATOM 3565 N ILE B 82 5.452 4.169 0.820 1.00 0.17 N ATOM 3566 CA ILE B 82 5.875 4.862 -0.384 1.00 0.19 C ATOM 3567 C ILE B 82 4.786 5.835 -0.808 1.00 0.21 C ATOM 3568 O ILE B 82 5.016 7.035 -0.918 1.00 0.28 O ATOM 3569 CB ILE B 82 6.187 3.907 -1.561 1.00 0.19 C ATOM 3570 CG1 ILE B 82 7.294 2.925 -1.179 1.00 0.24 C ATOM 3571 CG2 ILE B 82 6.595 4.714 -2.788 1.00 0.24 C ATOM 3572 CD1 ILE B 82 8.074 2.398 -2.368 1.00 0.41 C ATOM 0 H ILE B 82 5.032 3.253 0.664 1.00 0.17 H new ATOM 0 HA ILE B 82 6.801 5.384 -0.142 1.00 0.19 H new ATOM 0 HB ILE B 82 5.289 3.335 -1.794 1.00 0.19 H new ATOM 0 HG12 ILE B 82 7.983 3.416 -0.492 1.00 0.24 H new ATOM 0 HG13 ILE B 82 6.854 2.085 -0.642 1.00 0.24 H new ATOM 0 HG21 ILE B 82 6.813 4.036 -3.613 1.00 0.24 H new ATOM 0 HG22 ILE B 82 5.781 5.381 -3.072 1.00 0.24 H new ATOM 0 HG23 ILE B 82 7.483 5.303 -2.557 1.00 0.24 H new ATOM 0 HD11 ILE B 82 8.843 1.707 -2.022 1.00 0.41 H new ATOM 0 HD12 ILE B 82 7.397 1.878 -3.046 1.00 0.41 H new ATOM 0 HD13 ILE B 82 8.544 3.230 -2.893 1.00 0.41 H new ATOM 3584 N ALA B 83 3.588 5.305 -1.005 1.00 0.26 N ATOM 3585 CA ALA B 83 2.445 6.104 -1.432 1.00 0.32 C ATOM 3586 C ALA B 83 2.188 7.266 -0.487 1.00 0.32 C ATOM 3587 O ALA B 83 2.045 8.409 -0.911 1.00 0.35 O ATOM 3588 CB ALA B 83 1.214 5.234 -1.501 1.00 0.42 C ATOM 0 H ALA B 83 3.380 4.315 -0.875 1.00 0.26 H new ATOM 0 HA ALA B 83 2.673 6.512 -2.417 1.00 0.32 H new ATOM 0 HB1 ALA B 83 0.362 5.834 -1.820 1.00 0.42 H new ATOM 0 HB2 ALA B 83 1.378 4.427 -2.216 1.00 0.42 H new ATOM 0 HB3 ALA B 83 1.012 4.811 -0.517 1.00 0.42 H new ATOM 3594 N MET B 84 2.133 6.964 0.796 1.00 0.33 N ATOM 3595 CA MET B 84 1.855 7.966 1.800 1.00 0.36 C ATOM 3596 C MET B 84 3.032 8.899 1.979 1.00 0.36 C ATOM 3597 O MET B 84 2.868 10.046 2.375 1.00 0.48 O ATOM 3598 CB MET B 84 1.494 7.307 3.119 1.00 0.38 C ATOM 3599 CG MET B 84 1.243 8.270 4.260 1.00 0.44 C ATOM 3600 SD MET B 84 1.126 7.392 5.819 1.00 0.38 S ATOM 3601 CE MET B 84 2.478 6.249 5.576 1.00 0.22 C ATOM 0 H MET B 84 2.279 6.025 1.167 1.00 0.33 H new ATOM 0 HA MET B 84 1.005 8.558 1.461 1.00 0.36 H new ATOM 0 HB2 MET B 84 0.602 6.698 2.973 1.00 0.38 H new ATOM 0 HB3 MET B 84 2.299 6.630 3.404 1.00 0.38 H new ATOM 0 HG2 MET B 84 2.050 9.001 4.309 1.00 0.44 H new ATOM 0 HG3 MET B 84 0.322 8.823 4.079 1.00 0.44 H new ATOM 0 HE1 MET B 84 2.873 5.942 6.544 1.00 0.22 H new ATOM 0 HE2 MET B 84 2.121 5.373 5.035 1.00 0.22 H new ATOM 0 HE3 MET B 84 3.266 6.735 5.000 1.00 0.22 H new ATOM 3611 N MET B 85 4.217 8.410 1.678 1.00 0.28 N ATOM 3612 CA MET B 85 5.398 9.245 1.693 1.00 0.29 C ATOM 3613 C MET B 85 5.316 10.263 0.557 1.00 0.34 C ATOM 3614 O MET B 85 5.792 11.391 0.669 1.00 0.48 O ATOM 3615 CB MET B 85 6.631 8.388 1.533 1.00 0.28 C ATOM 3616 CG MET B 85 7.908 9.133 1.832 1.00 0.32 C ATOM 3617 SD MET B 85 9.297 8.564 0.830 1.00 0.29 S ATOM 3618 CE MET B 85 9.266 6.830 1.256 1.00 0.25 C ATOM 0 H MET B 85 4.387 7.438 1.420 1.00 0.28 H new ATOM 0 HA MET B 85 5.457 9.774 2.644 1.00 0.29 H new ATOM 0 HB2 MET B 85 6.556 7.526 2.195 1.00 0.28 H new ATOM 0 HB3 MET B 85 6.671 8.004 0.514 1.00 0.28 H new ATOM 0 HG2 MET B 85 7.752 10.198 1.658 1.00 0.32 H new ATOM 0 HG3 MET B 85 8.154 9.015 2.887 1.00 0.32 H new ATOM 0 HE1 MET B 85 10.287 6.462 1.356 1.00 0.25 H new ATOM 0 HE2 MET B 85 8.738 6.697 2.200 1.00 0.25 H new ATOM 0 HE3 MET B 85 8.754 6.272 0.472 1.00 0.25 H new ATOM 3628 N CYS B 86 4.661 9.847 -0.521 1.00 0.31 N ATOM 3629 CA CYS B 86 4.502 10.657 -1.722 1.00 0.34 C ATOM 3630 C CYS B 86 3.603 11.869 -1.477 1.00 0.39 C ATOM 3631 O CYS B 86 3.584 12.800 -2.280 1.00 0.46 O ATOM 3632 CB CYS B 86 3.930 9.795 -2.852 1.00 0.39 C ATOM 3633 SG CYS B 86 3.767 10.651 -4.433 1.00 0.94 S ATOM 0 H CYS B 86 4.221 8.929 -0.586 1.00 0.31 H new ATOM 0 HA CYS B 86 5.485 11.033 -2.007 1.00 0.34 H new ATOM 0 HB2 CYS B 86 4.571 8.924 -2.989 1.00 0.39 H new ATOM 0 HB3 CYS B 86 2.950 9.425 -2.550 1.00 0.39 H new ATOM 0 HG CYS B 86 3.381 9.809 -5.345 1.00 0.94 H new ATOM 3639 N ASN B 87 2.839 11.840 -0.383 1.00 0.45 N ATOM 3640 CA ASN B 87 1.916 12.934 -0.034 1.00 0.58 C ATOM 3641 C ASN B 87 2.529 14.318 -0.244 1.00 0.68 C ATOM 3642 O ASN B 87 1.916 15.178 -0.861 1.00 0.89 O ATOM 3643 CB ASN B 87 1.406 12.805 1.418 1.00 0.72 C ATOM 3644 CG ASN B 87 2.446 13.063 2.513 1.00 1.10 C ATOM 3645 OD1 ASN B 87 3.693 12.668 2.298 1.00 1.72 O flip ATOM 3646 ND2 ASN B 87 2.111 13.577 3.578 1.00 1.77 N flip ATOM 0 H ASN B 87 2.838 11.068 0.283 1.00 0.45 H new ATOM 0 HA ASN B 87 1.073 12.838 -0.718 1.00 0.58 H new ATOM 0 HB2 ASN B 87 0.579 13.502 1.556 1.00 0.72 H new ATOM 0 HB3 ASN B 87 1.003 11.801 1.554 1.00 0.72 H new ATOM 0 HD21 ASN B 87 1.145 13.873 3.720 1.00 1.77 H new ATOM 0 HD22 ASN B 87 2.799 13.708 4.320 1.00 1.77 H new ATOM 3653 N GLU B 88 3.739 14.514 0.246 1.00 0.70 N ATOM 3654 CA GLU B 88 4.402 15.813 0.171 1.00 0.89 C ATOM 3655 C GLU B 88 4.955 16.077 -1.222 1.00 0.86 C ATOM 3656 O GLU B 88 5.194 17.219 -1.601 1.00 1.06 O ATOM 3657 CB GLU B 88 5.534 15.868 1.192 1.00 1.03 C ATOM 3658 CG GLU B 88 5.051 15.783 2.626 1.00 1.51 C ATOM 3659 CD GLU B 88 6.050 15.098 3.529 1.00 1.72 C ATOM 3660 OE1 GLU B 88 7.150 15.647 3.741 1.00 1.98 O ATOM 3661 OE2 GLU B 88 5.738 13.995 4.024 1.00 2.33 O ATOM 0 H GLU B 88 4.290 13.788 0.704 1.00 0.70 H new ATOM 0 HA GLU B 88 3.664 16.584 0.392 1.00 0.89 H new ATOM 0 HB2 GLU B 88 6.227 15.049 1.000 1.00 1.03 H new ATOM 0 HB3 GLU B 88 6.091 16.795 1.058 1.00 1.03 H new ATOM 0 HG2 GLU B 88 4.855 16.788 3.001 1.00 1.51 H new ATOM 0 HG3 GLU B 88 4.106 15.241 2.657 1.00 1.51 H new ATOM 3668 N PHE B 89 5.143 15.017 -1.982 1.00 0.69 N ATOM 3669 CA PHE B 89 5.777 15.113 -3.283 1.00 0.71 C ATOM 3670 C PHE B 89 4.761 15.336 -4.398 1.00 0.73 C ATOM 3671 O PHE B 89 4.832 16.331 -5.119 1.00 0.88 O ATOM 3672 CB PHE B 89 6.596 13.850 -3.541 1.00 0.69 C ATOM 3673 CG PHE B 89 7.731 13.686 -2.570 1.00 0.91 C ATOM 3674 CD1 PHE B 89 8.899 14.416 -2.726 1.00 1.53 C ATOM 3675 CD2 PHE B 89 7.630 12.813 -1.501 1.00 1.65 C ATOM 3676 CE1 PHE B 89 9.944 14.277 -1.831 1.00 1.89 C ATOM 3677 CE2 PHE B 89 8.672 12.667 -0.604 1.00 1.99 C ATOM 3678 CZ PHE B 89 9.829 13.401 -0.770 1.00 1.81 C ATOM 0 H PHE B 89 4.864 14.072 -1.719 1.00 0.69 H new ATOM 0 HA PHE B 89 6.436 15.981 -3.279 1.00 0.71 H new ATOM 0 HB2 PHE B 89 5.943 12.980 -3.480 1.00 0.69 H new ATOM 0 HB3 PHE B 89 6.993 13.880 -4.556 1.00 0.69 H new ATOM 0 HD1 PHE B 89 8.994 15.101 -3.556 1.00 1.53 H new ATOM 0 HD2 PHE B 89 6.726 12.238 -1.366 1.00 1.65 H new ATOM 0 HE1 PHE B 89 10.848 14.853 -1.962 1.00 1.89 H new ATOM 0 HE2 PHE B 89 8.581 11.980 0.225 1.00 1.99 H new ATOM 0 HZ PHE B 89 10.644 13.290 -0.070 1.00 1.81 H new ATOM 3688 N PHE B 90 3.816 14.413 -4.536 1.00 0.63 N ATOM 3689 CA PHE B 90 2.842 14.470 -5.621 1.00 0.66 C ATOM 3690 C PHE B 90 1.714 15.439 -5.298 1.00 0.69 C ATOM 3691 O PHE B 90 1.442 16.369 -6.055 1.00 0.83 O ATOM 3692 CB PHE B 90 2.280 13.073 -5.898 1.00 0.69 C ATOM 3693 CG PHE B 90 1.242 13.042 -6.984 1.00 0.95 C ATOM 3694 CD1 PHE B 90 1.621 13.102 -8.316 1.00 1.44 C ATOM 3695 CD2 PHE B 90 -0.105 12.956 -6.677 1.00 1.79 C ATOM 3696 CE1 PHE B 90 0.674 13.077 -9.320 1.00 1.68 C ATOM 3697 CE2 PHE B 90 -1.056 12.931 -7.678 1.00 2.09 C ATOM 3698 CZ PHE B 90 -0.666 12.990 -9.001 1.00 1.67 C ATOM 0 H PHE B 90 3.703 13.616 -3.910 1.00 0.63 H new ATOM 0 HA PHE B 90 3.350 14.833 -6.514 1.00 0.66 H new ATOM 0 HB2 PHE B 90 3.100 12.409 -6.173 1.00 0.69 H new ATOM 0 HB3 PHE B 90 1.844 12.678 -4.980 1.00 0.69 H new ATOM 0 HD1 PHE B 90 2.668 13.169 -8.571 1.00 1.44 H new ATOM 0 HD2 PHE B 90 -0.415 12.908 -5.644 1.00 1.79 H new ATOM 0 HE1 PHE B 90 0.981 13.125 -10.354 1.00 1.68 H new ATOM 0 HE2 PHE B 90 -2.104 12.865 -7.426 1.00 2.09 H new ATOM 0 HZ PHE B 90 -1.408 12.968 -9.785 1.00 1.67 H new ATOM 3708 N GLU B 91 1.052 15.200 -4.178 1.00 0.70 N ATOM 3709 CA GLU B 91 -0.022 16.067 -3.721 1.00 0.83 C ATOM 3710 C GLU B 91 0.556 17.391 -3.224 1.00 1.01 C ATOM 3711 O GLU B 91 0.039 18.468 -3.516 1.00 1.21 O ATOM 3712 CB GLU B 91 -0.806 15.346 -2.616 1.00 0.95 C ATOM 3713 CG GLU B 91 -1.767 16.230 -1.833 1.00 1.64 C ATOM 3714 CD GLU B 91 -2.924 16.721 -2.675 1.00 2.04 C ATOM 3715 OE1 GLU B 91 -3.774 15.895 -3.046 1.00 2.45 O ATOM 3716 OE2 GLU B 91 -2.975 17.931 -2.982 1.00 2.62 O ATOM 0 H GLU B 91 1.241 14.407 -3.565 1.00 0.70 H new ATOM 0 HA GLU B 91 -0.703 16.291 -4.542 1.00 0.83 H new ATOM 0 HB2 GLU B 91 -1.370 14.529 -3.065 1.00 0.95 H new ATOM 0 HB3 GLU B 91 -0.097 14.899 -1.920 1.00 0.95 H new ATOM 0 HG2 GLU B 91 -2.154 15.673 -0.980 1.00 1.64 H new ATOM 0 HG3 GLU B 91 -1.224 17.087 -1.434 1.00 1.64 H new ATOM 3723 N GLY B 92 1.652 17.285 -2.496 1.00 1.09 N ATOM 3724 CA GLY B 92 2.318 18.446 -1.948 1.00 1.36 C ATOM 3725 C GLY B 92 2.118 18.530 -0.453 1.00 1.53 C ATOM 3726 O GLY B 92 3.018 18.946 0.274 1.00 1.90 O ATOM 0 H GLY B 92 2.101 16.397 -2.271 1.00 1.09 H new ATOM 0 HA2 GLY B 92 3.383 18.399 -2.174 1.00 1.36 H new ATOM 0 HA3 GLY B 92 1.931 19.349 -2.421 1.00 1.36 H new ATOM 3730 N PHE B 93 0.940 18.088 -0.013 1.00 1.50 N ATOM 3731 CA PHE B 93 0.591 17.961 1.397 1.00 1.82 C ATOM 3732 C PHE B 93 0.743 19.292 2.116 1.00 1.98 C ATOM 3733 O PHE B 93 1.847 19.681 2.511 1.00 2.12 O ATOM 3734 CB PHE B 93 1.429 16.876 2.070 1.00 2.19 C ATOM 3735 CG PHE B 93 0.887 16.438 3.401 1.00 2.75 C ATOM 3736 CD1 PHE B 93 -0.358 15.835 3.489 1.00 3.37 C ATOM 3737 CD2 PHE B 93 1.618 16.625 4.562 1.00 3.14 C ATOM 3738 CE1 PHE B 93 -0.863 15.426 4.707 1.00 3.97 C ATOM 3739 CE2 PHE B 93 1.118 16.217 5.784 1.00 3.73 C ATOM 3740 CZ PHE B 93 -0.124 15.617 5.858 1.00 4.00 C ATOM 0 H PHE B 93 0.189 17.803 -0.641 1.00 1.50 H new ATOM 0 HA PHE B 93 -0.456 17.664 1.460 1.00 1.82 H new ATOM 0 HB2 PHE B 93 1.488 16.012 1.409 1.00 2.19 H new ATOM 0 HB3 PHE B 93 2.446 17.245 2.204 1.00 2.19 H new ATOM 0 HD1 PHE B 93 -0.941 15.683 2.593 1.00 3.37 H new ATOM 0 HD2 PHE B 93 2.589 17.095 4.512 1.00 3.14 H new ATOM 0 HE1 PHE B 93 -1.835 14.957 4.760 1.00 3.97 H new ATOM 0 HE2 PHE B 93 1.699 16.367 6.682 1.00 3.73 H new ATOM 0 HZ PHE B 93 -0.516 15.298 6.813 1.00 4.00 H new ATOM 3750 N PRO B 94 -0.370 20.010 2.288 1.00 2.52 N ATOM 3751 CA PRO B 94 -0.362 21.353 2.860 1.00 3.07 C ATOM 3752 C PRO B 94 -0.070 21.357 4.364 1.00 3.02 C ATOM 3753 O PRO B 94 -0.898 21.772 5.176 1.00 3.41 O ATOM 3754 CB PRO B 94 -1.771 21.871 2.573 1.00 3.84 C ATOM 3755 CG PRO B 94 -2.616 20.648 2.481 1.00 3.90 C ATOM 3756 CD PRO B 94 -1.731 19.565 1.931 1.00 3.08 C ATOM 0 HA PRO B 94 0.426 21.972 2.430 1.00 3.07 H new ATOM 0 HB2 PRO B 94 -2.118 22.533 3.367 1.00 3.84 H new ATOM 0 HB3 PRO B 94 -1.801 22.443 1.645 1.00 3.84 H new ATOM 0 HG2 PRO B 94 -3.007 20.371 3.460 1.00 3.90 H new ATOM 0 HG3 PRO B 94 -3.474 20.816 1.831 1.00 3.90 H new ATOM 0 HD2 PRO B 94 -1.964 18.596 2.372 1.00 3.08 H new ATOM 0 HD3 PRO B 94 -1.848 19.461 0.852 1.00 3.08 H new ATOM 3764 N ASP B 95 1.114 20.892 4.712 1.00 2.85 N ATOM 3765 CA ASP B 95 1.568 20.840 6.095 1.00 3.20 C ATOM 3766 C ASP B 95 3.034 21.221 6.168 1.00 3.38 C ATOM 3767 O ASP B 95 3.403 22.202 6.812 1.00 3.79 O ATOM 3768 CB ASP B 95 1.356 19.437 6.677 1.00 3.91 C ATOM 3769 CG ASP B 95 2.163 19.187 7.942 1.00 4.67 C ATOM 3770 OD1 ASP B 95 2.038 19.974 8.902 1.00 5.10 O ATOM 3771 OD2 ASP B 95 2.935 18.203 7.977 1.00 5.19 O ATOM 0 H ASP B 95 1.795 20.536 4.041 1.00 2.85 H new ATOM 0 HA ASP B 95 0.985 21.548 6.684 1.00 3.20 H new ATOM 0 HB2 ASP B 95 0.297 19.297 6.895 1.00 3.91 H new ATOM 0 HB3 ASP B 95 1.628 18.694 5.927 1.00 3.91 H new ATOM 3776 N LYS B 96 3.863 20.452 5.481 1.00 3.54 N ATOM 3777 CA LYS B 96 5.290 20.707 5.454 1.00 4.45 C ATOM 3778 C LYS B 96 5.637 21.612 4.280 1.00 4.54 C ATOM 3779 O LYS B 96 5.886 21.152 3.164 1.00 4.98 O ATOM 3780 CB LYS B 96 6.054 19.385 5.388 1.00 5.36 C ATOM 3781 CG LYS B 96 5.784 18.500 6.594 1.00 6.28 C ATOM 3782 CD LYS B 96 6.392 17.120 6.440 1.00 7.13 C ATOM 3783 CE LYS B 96 6.038 16.230 7.621 1.00 7.93 C ATOM 3784 NZ LYS B 96 4.566 16.058 7.775 1.00 8.39 N ATOM 0 H LYS B 96 3.569 19.643 4.933 1.00 3.54 H new ATOM 0 HA LYS B 96 5.585 21.220 6.369 1.00 4.45 H new ATOM 0 HB2 LYS B 96 5.775 18.852 4.479 1.00 5.36 H new ATOM 0 HB3 LYS B 96 7.123 19.589 5.322 1.00 5.36 H new ATOM 0 HG2 LYS B 96 6.187 18.975 7.488 1.00 6.28 H new ATOM 0 HG3 LYS B 96 4.708 18.407 6.740 1.00 6.28 H new ATOM 0 HD2 LYS B 96 6.035 16.663 5.517 1.00 7.13 H new ATOM 0 HD3 LYS B 96 7.476 17.204 6.356 1.00 7.13 H new ATOM 0 HE2 LYS B 96 6.504 15.254 7.491 1.00 7.93 H new ATOM 0 HE3 LYS B 96 6.449 16.660 8.534 1.00 7.93 H new ATOM 0 HZ1 LYS B 96 4.374 15.239 8.387 1.00 8.39 H new ATOM 0 HZ2 LYS B 96 4.159 16.914 8.204 1.00 8.39 H new ATOM 0 HZ3 LYS B 96 4.135 15.901 6.842 1.00 8.39 H new ATOM 3798 N GLN B 97 5.597 22.910 4.542 1.00 4.59 N ATOM 3799 CA GLN B 97 5.850 23.919 3.524 1.00 5.12 C ATOM 3800 C GLN B 97 7.240 24.558 3.674 1.00 5.38 C ATOM 3801 O GLN B 97 7.924 24.750 2.666 1.00 5.51 O ATOM 3802 CB GLN B 97 4.757 24.994 3.561 1.00 5.83 C ATOM 3803 CG GLN B 97 4.954 26.106 2.545 1.00 6.21 C ATOM 3804 CD GLN B 97 3.796 27.080 2.529 1.00 6.95 C ATOM 3805 OE1 GLN B 97 2.838 26.910 1.774 1.00 7.21 O ATOM 3806 NE2 GLN B 97 3.868 28.102 3.367 1.00 7.59 N ATOM 0 H GLN B 97 5.389 23.293 5.464 1.00 4.59 H new ATOM 0 HA GLN B 97 5.829 23.419 2.555 1.00 5.12 H new ATOM 0 HB2 GLN B 97 3.790 24.522 3.386 1.00 5.83 H new ATOM 0 HB3 GLN B 97 4.723 25.429 4.560 1.00 5.83 H new ATOM 0 HG2 GLN B 97 5.875 26.643 2.772 1.00 6.21 H new ATOM 0 HG3 GLN B 97 5.074 25.672 1.553 1.00 6.21 H new ATOM 0 HE21 GLN B 97 4.680 28.206 3.976 1.00 7.59 H new ATOM 0 HE22 GLN B 97 3.112 28.785 3.404 1.00 7.59 H new ATOM 3815 N PRO B 98 7.669 24.933 4.913 1.00 5.81 N ATOM 3816 CA PRO B 98 9.019 25.465 5.166 1.00 6.41 C ATOM 3817 C PRO B 98 10.107 24.719 4.400 1.00 6.44 C ATOM 3818 O PRO B 98 10.997 25.335 3.809 1.00 6.84 O ATOM 3819 CB PRO B 98 9.189 25.265 6.665 1.00 7.08 C ATOM 3820 CG PRO B 98 7.817 25.432 7.214 1.00 6.87 C ATOM 3821 CD PRO B 98 6.871 24.917 6.159 1.00 6.10 C ATOM 0 HA PRO B 98 9.116 26.500 4.838 1.00 6.41 H new ATOM 0 HB2 PRO B 98 9.591 24.278 6.892 1.00 7.08 H new ATOM 0 HB3 PRO B 98 9.879 25.995 7.088 1.00 7.08 H new ATOM 0 HG2 PRO B 98 7.701 24.876 8.145 1.00 6.87 H new ATOM 0 HG3 PRO B 98 7.614 26.479 7.440 1.00 6.87 H new ATOM 0 HD2 PRO B 98 6.522 23.912 6.395 1.00 6.10 H new ATOM 0 HD3 PRO B 98 5.988 25.550 6.074 1.00 6.10 H new ATOM 3829 N ARG B 99 10.043 23.395 4.422 1.00 6.34 N ATOM 3830 CA ARG B 99 10.915 22.590 3.585 1.00 6.64 C ATOM 3831 C ARG B 99 10.195 22.273 2.283 1.00 6.40 C ATOM 3832 O ARG B 99 9.280 21.445 2.256 1.00 6.77 O ATOM 3833 CB ARG B 99 11.321 21.293 4.285 1.00 6.94 C ATOM 3834 CG ARG B 99 11.979 21.502 5.636 1.00 7.54 C ATOM 3835 CD ARG B 99 12.591 20.213 6.154 1.00 7.94 C ATOM 3836 NE ARG B 99 11.653 19.093 6.092 1.00 8.46 N ATOM 3837 CZ ARG B 99 11.893 17.889 6.607 1.00 8.94 C ATOM 3838 NH1 ARG B 99 13.033 17.641 7.238 1.00 8.99 N ATOM 3839 NH2 ARG B 99 10.993 16.922 6.476 1.00 9.56 N ATOM 0 H ARG B 99 9.400 22.860 5.007 1.00 6.34 H new ATOM 0 HA ARG B 99 11.825 23.156 3.384 1.00 6.64 H new ATOM 0 HB2 ARG B 99 10.436 20.670 4.416 1.00 6.94 H new ATOM 0 HB3 ARG B 99 12.006 20.743 3.640 1.00 6.94 H new ATOM 0 HG2 ARG B 99 12.751 22.267 5.553 1.00 7.54 H new ATOM 0 HG3 ARG B 99 11.242 21.870 6.349 1.00 7.54 H new ATOM 0 HD2 ARG B 99 13.479 19.974 5.569 1.00 7.94 H new ATOM 0 HD3 ARG B 99 12.917 20.356 7.184 1.00 7.94 H new ATOM 0 HE ARG B 99 10.759 19.244 5.625 1.00 8.46 H new ATOM 0 HH11 ARG B 99 13.734 18.376 7.332 1.00 8.99 H new ATOM 0 HH12 ARG B 99 13.208 16.716 7.629 1.00 8.99 H new ATOM 0 HH21 ARG B 99 10.119 17.102 5.981 1.00 9.56 H new ATOM 0 HH22 ARG B 99 11.175 15.999 6.870 1.00 9.56 H new ATOM 3853 N LYS B 100 10.596 22.945 1.213 1.00 6.04 N ATOM 3854 CA LYS B 100 9.920 22.815 -0.071 1.00 5.97 C ATOM 3855 C LYS B 100 10.047 21.401 -0.626 1.00 5.32 C ATOM 3856 O LYS B 100 10.950 20.647 -0.249 1.00 5.54 O ATOM 3857 CB LYS B 100 10.473 23.823 -1.080 1.00 6.71 C ATOM 3858 CG LYS B 100 10.294 25.274 -0.657 1.00 7.02 C ATOM 3859 CD LYS B 100 10.660 26.228 -1.782 1.00 7.50 C ATOM 3860 CE LYS B 100 12.101 26.042 -2.228 1.00 8.06 C ATOM 3861 NZ LYS B 100 12.398 26.799 -3.471 1.00 8.50 N ATOM 0 H LYS B 100 11.388 23.588 1.208 1.00 6.04 H new ATOM 0 HA LYS B 100 8.863 23.024 0.095 1.00 5.97 H new ATOM 0 HB2 LYS B 100 11.534 23.626 -1.232 1.00 6.71 H new ATOM 0 HB3 LYS B 100 9.980 23.670 -2.040 1.00 6.71 H new ATOM 0 HG2 LYS B 100 9.260 25.442 -0.357 1.00 7.02 H new ATOM 0 HG3 LYS B 100 10.916 25.480 0.214 1.00 7.02 H new ATOM 0 HD2 LYS B 100 9.993 26.066 -2.629 1.00 7.50 H new ATOM 0 HD3 LYS B 100 10.511 27.256 -1.451 1.00 7.50 H new ATOM 0 HE2 LYS B 100 12.772 26.370 -1.434 1.00 8.06 H new ATOM 0 HE3 LYS B 100 12.296 24.982 -2.393 1.00 8.06 H new ATOM 0 HZ1 LYS B 100 13.390 26.646 -3.742 1.00 8.50 H new ATOM 0 HZ2 LYS B 100 11.775 26.469 -4.236 1.00 8.50 H new ATOM 0 HZ3 LYS B 100 12.237 27.813 -3.307 1.00 8.50 H new ATOM 3875 N LYS B 101 9.140 21.053 -1.523 1.00 4.83 N ATOM 3876 CA LYS B 101 9.095 19.721 -2.099 1.00 4.42 C ATOM 3877 C LYS B 101 8.887 19.807 -3.607 1.00 4.87 C ATOM 3878 O LYS B 101 7.732 19.956 -4.047 1.00 5.44 O ATOM 3879 CB LYS B 101 7.991 18.870 -1.437 1.00 3.91 C ATOM 3880 CG LYS B 101 7.027 19.656 -0.544 1.00 3.27 C ATOM 3881 CD LYS B 101 6.058 20.506 -1.353 1.00 3.64 C ATOM 3882 CE LYS B 101 5.362 21.542 -0.484 1.00 4.21 C ATOM 3883 NZ LYS B 101 4.714 20.937 0.709 1.00 4.79 N ATOM 3884 OXT LYS B 101 9.893 19.763 -4.343 1.00 5.06 O ATOM 0 H LYS B 101 8.417 21.683 -1.871 1.00 4.83 H new ATOM 0 HA LYS B 101 10.049 19.230 -1.909 1.00 4.42 H new ATOM 0 HB2 LYS B 101 7.417 18.372 -2.219 1.00 3.91 H new ATOM 0 HB3 LYS B 101 8.462 18.088 -0.841 1.00 3.91 H new ATOM 0 HG2 LYS B 101 6.465 18.962 0.080 1.00 3.27 H new ATOM 0 HG3 LYS B 101 7.598 20.298 0.127 1.00 3.27 H new ATOM 0 HD2 LYS B 101 6.597 21.007 -2.157 1.00 3.64 H new ATOM 0 HD3 LYS B 101 5.313 19.863 -1.821 1.00 3.64 H new ATOM 0 HE2 LYS B 101 6.088 22.288 -0.161 1.00 4.21 H new ATOM 0 HE3 LYS B 101 4.611 22.064 -1.077 1.00 4.21 H new ATOM 0 HZ1 LYS B 101 3.933 21.546 1.026 1.00 4.79 H new ATOM 0 HZ2 LYS B 101 4.342 19.997 0.463 1.00 4.79 H new ATOM 0 HZ3 LYS B 101 5.413 20.843 1.474 1.00 4.79 H new TER 3898 LYS B 101