USER MOD reduce.3.24.130724 H: found=0, std=0, add=1944, rem=0, adj=74 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 40:sc= -6.17! USER MOD Set 1.2: C1934 MET CE :methyl -134:sc=-0.00514 (180deg=-1.81) USER MOD Set 2.1: B 18 LYS NZ :NH3+ 151:sc= 1.23 (180deg=1.16) USER MOD Set 2.2: B 19 TYR OH : rot 180:sc= -0.764 USER MOD Set 3.1: A 12 MET CE :methyl 161:sc= -0.353 (180deg=-0.595) USER MOD Set 3.2: A 80 SER OG : rot -125:sc= 0.448 USER MOD Set 3.3: B 12 MET CE :methyl 180:sc= -1.84 (180deg=-1.59) USER MOD Set 3.4: B 80 SER OG : rot -153:sc= -0.99 USER MOD Set 4.1: A 87 ASN : amide:sc= 0.751 K(o=2.5,f=0.52) USER MOD Set 4.2: B 17 HIS : +bothHN:sc= 1.78 K(o=2.5,f=-9.2!) USER MOD Set 5.1: A 81 CYS SG : rot 43:sc= -5.47! USER MOD Set 5.2: A 84 MET CE :methyl 178:sc= -4.11! (180deg=-4.32!) USER MOD Set 5.3: C1910 MET CE :methyl -173:sc= -4.01! (180deg=-4.24!) USER MOD Set 6.1: A 73 GLN :FLIP amide:sc= -0.144 F(o=-0.98!,f=0.63) USER MOD Set 6.2: C1915 SER OG : rot 100:sc= 0.17 USER MOD Set 6.3: C1918 LYS NZ :NH3+ 153:sc= 0.599 (180deg=0.237) USER MOD Set 7.1: A 64 SER OG : rot -75:sc= 1.26 USER MOD Set 7.2: C1911 ASN : amide:sc= -0.322 X(o=0.94,f=1.1) USER MOD Set 8.1: A 57 LYS NZ :NH3+ -170:sc= 1.32 (180deg=0) USER MOD Set 8.2: A 61 ASN : amide:sc= -1.02 K(o=0.3,f=-9.7!) USER MOD Set 9.1: A 18 LYS NZ :NH3+ 175:sc= 1.25 (180deg=1.16) USER MOD Set 9.2: A 19 TYR OH : rot 180:sc= -0.859 USER MOD Single : A 1 MET CE :methyl -149:sc= -0.186 (180deg=-0.827) 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+ -159:sc= 2.14 (180deg=0.967) USER MOD Single : A 14 SER OG : rot 91:sc= 1.21 USER MOD Single : A 15 THR OG1 : rot -140:sc= 0.56 USER MOD Single : A 17 HIS : no HE2:sc= -3.64! C(o=-3.6!,f=-3.4!) USER MOD Single : A 20 SER OG : rot -70:sc= 0.126 USER MOD Single : A 22 LYS NZ :NH3+ -150:sc= 1.28 (180deg=1.11) USER MOD Single : A 26 LYS NZ :NH3+ -149:sc= -0.252 (180deg=-2.5!) USER MOD Single : A 28 LYS NZ :NH3+ 162:sc= 1.25 (180deg=0.825) USER MOD Single : A 30 ASN : amide:sc= -1.69! C(o=-1.7!,f=-5.7!) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ -167:sc= 1.27 (180deg=0.98) USER MOD Single : A 39 THR OG1 : rot -5:sc= -0.395 USER MOD Single : A 44 SER OG : rot 180:sc= 0.0499 USER MOD Single : A 48 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00664) USER MOD Single : A 50 THR OG1 : rot 90:sc= -2.99! USER MOD Single : A 56 GLN :FLIP amide:sc= -0.0143 F(o=-1.2,f=-0.014) USER MOD Single : A 59 MET CE :methyl 161:sc= -2.23 (180deg=-3.32!) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 65 ASN : amide:sc= -1.61! C(o=-1.6!,f=-5.4!) USER MOD Single : A 68 ASN : amide:sc= -0.055 K(o=-0.055,f=-1.5!) USER MOD Single : A 75 TYR OH : rot -30:sc= -2.16! USER MOD Single : A 76 CYS SG : rot 66:sc= -4.71! USER MOD Single : A 85 MET CE :methyl 168:sc= -6.2! (180deg=-7.65!) USER MOD Single : A 86 CYS SG : rot 160:sc= 0 USER MOD Single : A 96 LYS NZ :NH3+ 160:sc= 2.34 (180deg=1.23) USER MOD Single : A 97 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 100 LYS NZ :NH3+ 145:sc= 1.25 (180deg=0.988) USER MOD Single : A 101 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.0965) USER MOD Single : B 1 MET CE :methyl 161:sc= -0.135 (180deg=-0.571) USER MOD Single : B 1 MET N :NH3+ -162:sc= 1.36 (180deg=1.14) USER MOD Single : B 3 CYS SG : rot 180:sc= 0 USER MOD Single : B 7 LYS NZ :NH3+ -161:sc= 2.04 (180deg=1.07) USER MOD Single : B 14 SER OG : rot 61:sc= 1.2 USER MOD Single : B 15 THR OG1 : rot -140:sc= 0.664 USER MOD Single : B 20 SER OG : rot -93:sc= 0.0643 USER MOD Single : B 22 LYS NZ :NH3+ -155:sc= 1.3 (180deg=1.24) USER MOD Single : B 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 28 LYS NZ :NH3+ 146:sc= 1.2 (180deg=0.298) USER MOD Single : B 30 ASN : amide:sc= -1.57! C(o=-1.6!,f=-6.2!) USER MOD Single : B 31 LYS NZ :NH3+ 161:sc= -1.22 (180deg=-1.52) USER MOD Single : B 32 SER OG : rot 180:sc= 0 USER MOD Single : B 35 LYS NZ :NH3+ -134:sc= 0.0425 (180deg=0) USER MOD Single : B 39 THR OG1 : rot -11:sc= -0.354 USER MOD Single : B 44 SER OG : rot 96:sc= 0.365 USER MOD Single : B 48 LYS NZ :NH3+ 166:sc= -0.0487 (180deg=-0.303) USER MOD Single : B 50 THR OG1 : rot 48:sc= 0.067 USER MOD Single : B 56 GLN :FLIP amide:sc= -0.0395 F(o=-1.3!,f=-0.039) USER MOD Single : B 57 LYS NZ :NH3+ 168:sc= 1.24 (180deg=1.13) USER MOD Single : B 59 MET CE :methyl 173:sc= -2.91 (180deg=-3.47) USER MOD Single : B 60 SER OG : rot -26:sc= 0.214 USER MOD Single : B 61 ASN : amide:sc= -1.29 X(o=-1.3,f=-1.4) USER MOD Single : B 64 SER OG : rot 88:sc= 1.33 USER MOD Single : B 65 ASN : amide:sc= 0.924 K(o=0.92,f=-0.09) USER MOD Single : B 68 ASN : amide:sc= -1.74! C(o=-1.7!,f=-5!) USER MOD Single : B 73 GLN : amide:sc= 1.17 K(o=1.2,f=-0.13) USER MOD Single : B 75 TYR OH : rot 104:sc= -0.596 USER MOD Single : B 76 CYS SG : rot 78:sc= -1.15 USER MOD Single : B 81 CYS SG : rot -57:sc= -13.3! USER MOD Single : B 84 MET CE :methyl 157:sc= -8.25! (180deg=-13.1!) USER MOD Single : B 85 MET CE :methyl -134:sc= -0.0715 (180deg=-1.45) USER MOD Single : B 87 ASN : amide:sc= -1.59 K(o=-1.6,f=-3.7!) USER MOD Single : B 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 97 GLN : amide:sc= -0.275 K(o=-0.28,f=-2.9!) USER MOD Single : B 100 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0351) USER MOD Single : B 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C1897 GLN : amide:sc= -0.572 X(o=-0.57,f=-0.95) USER MOD Single : C1904 THR OG1 : rot -50:sc= -0.38 USER MOD Single : C1906 THR OG1 : rot 64:sc= 1.34 USER MOD Single : C1916 SER OG : rot 180:sc= 0 USER MOD Single : C1919 ASN : amide:sc= 1.07 K(o=1.1,f=-4.6!) USER MOD Single : C1920 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLN C1897 -20.507 -11.027 2.731 1.00 1.90 N ATOM 2 CA GLN C1897 -19.619 -10.481 1.686 1.00 1.28 C ATOM 3 C GLN C1897 -18.855 -9.276 2.210 1.00 1.03 C ATOM 4 O GLN C1897 -19.391 -8.168 2.272 1.00 1.73 O ATOM 5 CB GLN C1897 -20.431 -10.092 0.442 1.00 1.38 C ATOM 6 CG GLN C1897 -19.648 -9.289 -0.592 1.00 1.18 C ATOM 7 CD GLN C1897 -18.339 -9.939 -0.978 1.00 1.58 C ATOM 8 OE1 GLN C1897 -18.197 -11.160 -0.959 1.00 2.33 O ATOM 9 NE2 GLN C1897 -17.377 -9.114 -1.328 1.00 1.78 N ATOM 0 HA GLN C1897 -18.902 -11.254 1.409 1.00 1.28 H new ATOM 0 HB2 GLN C1897 -20.809 -10.999 -0.030 1.00 1.38 H new ATOM 0 HB3 GLN C1897 -21.298 -9.511 0.755 1.00 1.38 H new ATOM 0 HG2 GLN C1897 -20.261 -9.161 -1.484 1.00 1.18 H new ATOM 0 HG3 GLN C1897 -19.450 -8.293 -0.196 1.00 1.18 H new ATOM 0 HE21 GLN C1897 -17.543 -8.108 -1.328 1.00 1.78 H new ATOM 0 HE22 GLN C1897 -16.465 -9.480 -1.600 1.00 1.78 H new ATOM 20 N ARG C1898 -17.607 -9.499 2.600 1.00 0.67 N ATOM 21 CA ARG C1898 -16.739 -8.425 3.002 1.00 0.76 C ATOM 22 C ARG C1898 -15.325 -8.917 3.236 1.00 0.64 C ATOM 23 O ARG C1898 -14.958 -9.317 4.337 1.00 0.95 O ATOM 24 CB ARG C1898 -17.243 -7.709 4.247 1.00 1.15 C ATOM 25 CG ARG C1898 -16.374 -6.520 4.637 1.00 1.54 C ATOM 26 CD ARG C1898 -16.478 -5.352 3.655 1.00 2.04 C ATOM 27 NE ARG C1898 -16.325 -5.737 2.245 1.00 2.71 N ATOM 28 CZ ARG C1898 -16.462 -4.894 1.217 1.00 3.58 C ATOM 29 NH1 ARG C1898 -16.734 -3.612 1.433 1.00 3.84 N ATOM 30 NH2 ARG C1898 -16.315 -5.336 -0.023 1.00 4.54 N ATOM 0 H ARG C1898 -17.180 -10.424 2.643 1.00 0.67 H new ATOM 0 HA ARG C1898 -16.737 -7.711 2.179 1.00 0.76 H new ATOM 0 HB2 ARG C1898 -18.263 -7.367 4.075 1.00 1.15 H new ATOM 0 HB3 ARG C1898 -17.279 -8.415 5.077 1.00 1.15 H new ATOM 0 HG2 ARG C1898 -16.662 -6.178 5.631 1.00 1.54 H new ATOM 0 HG3 ARG C1898 -15.335 -6.842 4.700 1.00 1.54 H new ATOM 0 HD2 ARG C1898 -17.446 -4.867 3.785 1.00 2.04 H new ATOM 0 HD3 ARG C1898 -15.716 -4.614 3.903 1.00 2.04 H new ATOM 0 HE ARG C1898 -16.100 -6.710 2.038 1.00 2.71 H new ATOM 0 HH11 ARG C1898 -16.839 -3.267 2.387 1.00 3.84 H new ATOM 0 HH12 ARG C1898 -16.838 -2.973 0.645 1.00 3.84 H new ATOM 0 HH21 ARG C1898 -16.098 -6.318 -0.192 1.00 4.54 H new ATOM 0 HH22 ARG C1898 -16.419 -4.694 -0.809 1.00 4.54 H new ATOM 44 N GLU C1899 -14.545 -8.875 2.181 1.00 0.40 N ATOM 45 CA GLU C1899 -13.126 -9.126 2.254 1.00 0.29 C ATOM 46 C GLU C1899 -12.473 -8.010 3.039 1.00 0.24 C ATOM 47 O GLU C1899 -11.479 -8.215 3.723 1.00 0.27 O ATOM 48 CB GLU C1899 -12.540 -9.141 0.853 1.00 0.30 C ATOM 49 CG GLU C1899 -13.029 -7.959 0.036 1.00 0.35 C ATOM 50 CD GLU C1899 -14.351 -8.250 -0.632 1.00 0.62 C ATOM 51 OE1 GLU C1899 -14.384 -9.031 -1.604 1.00 0.76 O ATOM 52 OE2 GLU C1899 -15.375 -7.730 -0.140 1.00 0.97 O ATOM 0 H GLU C1899 -14.881 -8.664 1.241 1.00 0.40 H new ATOM 0 HA GLU C1899 -12.949 -10.087 2.738 1.00 0.29 H new ATOM 0 HB2 GLU C1899 -11.452 -9.119 0.912 1.00 0.30 H new ATOM 0 HB3 GLU C1899 -12.814 -10.070 0.352 1.00 0.30 H new ATOM 0 HG2 GLU C1899 -13.132 -7.088 0.683 1.00 0.35 H new ATOM 0 HG3 GLU C1899 -12.286 -7.708 -0.721 1.00 0.35 H new ATOM 59 N LEU C1900 -13.070 -6.821 2.940 1.00 0.24 N ATOM 60 CA LEU C1900 -12.513 -5.630 3.552 1.00 0.25 C ATOM 61 C LEU C1900 -12.609 -5.698 5.073 1.00 0.28 C ATOM 62 O LEU C1900 -12.116 -4.820 5.774 1.00 0.44 O ATOM 63 CB LEU C1900 -13.186 -4.352 3.033 1.00 0.33 C ATOM 64 CG LEU C1900 -12.717 -3.837 1.667 1.00 0.20 C ATOM 65 CD1 LEU C1900 -11.203 -3.822 1.571 1.00 0.22 C ATOM 66 CD2 LEU C1900 -13.324 -4.621 0.542 1.00 0.31 C ATOM 0 H LEU C1900 -13.944 -6.665 2.437 1.00 0.24 H new ATOM 0 HA LEU C1900 -11.461 -5.591 3.271 1.00 0.25 H new ATOM 0 HB2 LEU C1900 -14.260 -4.530 2.980 1.00 0.33 H new ATOM 0 HB3 LEU C1900 -13.030 -3.562 3.767 1.00 0.33 H new ATOM 0 HG LEU C1900 -13.065 -2.808 1.573 1.00 0.20 H new ATOM 0 HD11 LEU C1900 -10.904 -3.452 0.590 1.00 0.22 H new ATOM 0 HD12 LEU C1900 -10.796 -3.171 2.344 1.00 0.22 H new ATOM 0 HD13 LEU C1900 -10.820 -4.833 1.709 1.00 0.22 H new ATOM 0 HD21 LEU C1900 -12.968 -4.227 -0.410 1.00 0.31 H new ATOM 0 HD22 LEU C1900 -13.036 -5.668 0.631 1.00 0.31 H new ATOM 0 HD23 LEU C1900 -14.410 -4.539 0.586 1.00 0.31 H new ATOM 78 N GLU C1901 -13.239 -6.742 5.583 1.00 0.27 N ATOM 79 CA GLU C1901 -13.256 -6.967 7.011 1.00 0.34 C ATOM 80 C GLU C1901 -11.908 -7.533 7.425 1.00 0.37 C ATOM 81 O GLU C1901 -11.196 -6.929 8.215 1.00 0.52 O ATOM 82 CB GLU C1901 -14.393 -7.902 7.406 1.00 0.48 C ATOM 83 CG GLU C1901 -14.608 -7.983 8.903 1.00 1.00 C ATOM 84 CD GLU C1901 -15.887 -8.698 9.265 1.00 1.11 C ATOM 85 OE1 GLU C1901 -16.967 -8.099 9.101 1.00 1.44 O ATOM 86 OE2 GLU C1901 -15.821 -9.859 9.711 1.00 1.48 O ATOM 0 H GLU C1901 -13.740 -7.439 5.033 1.00 0.27 H new ATOM 0 HA GLU C1901 -13.430 -6.024 7.529 1.00 0.34 H new ATOM 0 HB2 GLU C1901 -15.314 -7.564 6.931 1.00 0.48 H new ATOM 0 HB3 GLU C1901 -14.184 -8.900 7.021 1.00 0.48 H new ATOM 0 HG2 GLU C1901 -13.764 -8.500 9.361 1.00 1.00 H new ATOM 0 HG3 GLU C1901 -14.628 -6.976 9.319 1.00 1.00 H new ATOM 93 N ASP C1902 -11.549 -8.673 6.844 1.00 0.37 N ATOM 94 CA ASP C1902 -10.216 -9.245 7.022 1.00 0.46 C ATOM 95 C ASP C1902 -9.158 -8.292 6.475 1.00 0.44 C ATOM 96 O ASP C1902 -8.048 -8.209 6.997 1.00 0.58 O ATOM 97 CB ASP C1902 -10.125 -10.598 6.301 1.00 0.60 C ATOM 98 CG ASP C1902 -8.733 -11.207 6.327 1.00 1.18 C ATOM 99 OD1 ASP C1902 -7.933 -10.922 5.412 1.00 2.01 O ATOM 100 OD2 ASP C1902 -8.442 -12.005 7.245 1.00 1.42 O ATOM 0 H ASP C1902 -12.164 -9.222 6.243 1.00 0.37 H new ATOM 0 HA ASP C1902 -10.037 -9.397 8.087 1.00 0.46 H new ATOM 0 HB2 ASP C1902 -10.826 -11.294 6.762 1.00 0.60 H new ATOM 0 HB3 ASP C1902 -10.438 -10.470 5.265 1.00 0.60 H new ATOM 105 N ALA C1903 -9.529 -7.563 5.429 1.00 0.36 N ATOM 106 CA ALA C1903 -8.621 -6.646 4.750 1.00 0.46 C ATOM 107 C ALA C1903 -8.126 -5.540 5.652 1.00 0.37 C ATOM 108 O ALA C1903 -6.970 -5.518 6.076 1.00 0.37 O ATOM 109 CB ALA C1903 -9.319 -5.979 3.578 1.00 0.66 C ATOM 0 H ALA C1903 -10.466 -7.591 5.028 1.00 0.36 H new ATOM 0 HA ALA C1903 -7.776 -7.253 4.424 1.00 0.46 H new ATOM 0 HB1 ALA C1903 -8.627 -5.298 3.082 1.00 0.66 H new ATOM 0 HB2 ALA C1903 -9.649 -6.740 2.870 1.00 0.66 H new ATOM 0 HB3 ALA C1903 -10.182 -5.420 3.939 1.00 0.66 H new ATOM 115 N THR C1904 -9.027 -4.628 5.954 1.00 0.37 N ATOM 116 CA THR C1904 -8.642 -3.355 6.493 1.00 0.36 C ATOM 117 C THR C1904 -8.809 -3.300 8.000 1.00 0.34 C ATOM 118 O THR C1904 -8.529 -2.284 8.628 1.00 0.36 O ATOM 119 CB THR C1904 -9.414 -2.228 5.789 1.00 0.40 C ATOM 120 OG1 THR C1904 -10.825 -2.414 5.940 1.00 0.42 O ATOM 121 CG2 THR C1904 -9.065 -2.223 4.307 1.00 0.40 C ATOM 0 H THR C1904 -10.032 -4.752 5.832 1.00 0.37 H new ATOM 0 HA THR C1904 -7.579 -3.213 6.300 1.00 0.36 H new ATOM 0 HB THR C1904 -9.133 -1.277 6.242 1.00 0.40 H new ATOM 0 HG1 THR C1904 -11.062 -3.333 5.696 1.00 0.42 H new ATOM 0 HG21 THR C1904 -9.612 -1.424 3.807 1.00 0.40 H new ATOM 0 HG22 THR C1904 -7.994 -2.060 4.186 1.00 0.40 H new ATOM 0 HG23 THR C1904 -9.339 -3.181 3.866 1.00 0.40 H new ATOM 129 N GLU C1905 -9.249 -4.401 8.588 1.00 0.32 N ATOM 130 CA GLU C1905 -9.160 -4.553 10.027 1.00 0.32 C ATOM 131 C GLU C1905 -7.696 -4.465 10.399 1.00 0.28 C ATOM 132 O GLU C1905 -7.297 -3.774 11.336 1.00 0.32 O ATOM 133 CB GLU C1905 -9.704 -5.905 10.450 1.00 0.36 C ATOM 134 CG GLU C1905 -9.647 -6.154 11.945 1.00 0.62 C ATOM 135 CD GLU C1905 -10.540 -7.297 12.378 1.00 1.25 C ATOM 136 OE1 GLU C1905 -11.724 -7.047 12.685 1.00 1.76 O ATOM 137 OE2 GLU C1905 -10.065 -8.452 12.412 1.00 2.06 O ATOM 0 H GLU C1905 -9.666 -5.192 8.097 1.00 0.32 H new ATOM 0 HA GLU C1905 -9.743 -3.778 10.525 1.00 0.32 H new ATOM 0 HB2 GLU C1905 -10.739 -5.989 10.118 1.00 0.36 H new ATOM 0 HB3 GLU C1905 -9.141 -6.687 9.940 1.00 0.36 H new ATOM 0 HG2 GLU C1905 -8.619 -6.371 12.235 1.00 0.62 H new ATOM 0 HG3 GLU C1905 -9.942 -5.247 12.472 1.00 0.62 H new ATOM 144 N THR C1906 -6.908 -5.170 9.605 1.00 0.25 N ATOM 145 CA THR C1906 -5.473 -5.152 9.715 1.00 0.24 C ATOM 146 C THR C1906 -4.895 -3.845 9.188 1.00 0.21 C ATOM 147 O THR C1906 -3.745 -3.513 9.481 1.00 0.19 O ATOM 148 CB THR C1906 -4.878 -6.341 8.949 1.00 0.29 C ATOM 149 OG1 THR C1906 -5.894 -6.936 8.130 1.00 0.48 O ATOM 150 CG2 THR C1906 -4.330 -7.374 9.917 1.00 0.47 C ATOM 0 H THR C1906 -7.257 -5.774 8.861 1.00 0.25 H new ATOM 0 HA THR C1906 -5.210 -5.233 10.770 1.00 0.24 H new ATOM 0 HB THR C1906 -4.062 -5.985 8.321 1.00 0.29 H new ATOM 0 HG1 THR C1906 -6.186 -6.292 7.451 1.00 0.48 H new ATOM 0 HG21 THR C1906 -3.912 -8.211 9.358 1.00 0.47 H new ATOM 0 HG22 THR C1906 -3.550 -6.921 10.530 1.00 0.47 H new ATOM 0 HG23 THR C1906 -5.134 -7.733 10.560 1.00 0.47 H new ATOM 158 N ALA C1907 -5.689 -3.103 8.408 1.00 0.23 N ATOM 159 CA ALA C1907 -5.260 -1.782 7.951 1.00 0.21 C ATOM 160 C ALA C1907 -4.932 -0.886 9.133 1.00 0.21 C ATOM 161 O ALA C1907 -3.882 -0.247 9.168 1.00 0.21 O ATOM 162 CB ALA C1907 -6.299 -1.110 7.061 1.00 0.22 C ATOM 0 H ALA C1907 -6.614 -3.389 8.087 1.00 0.23 H new ATOM 0 HA ALA C1907 -4.362 -1.933 7.352 1.00 0.21 H new ATOM 0 HB1 ALA C1907 -5.933 -0.132 6.748 1.00 0.22 H new ATOM 0 HB2 ALA C1907 -6.479 -1.728 6.182 1.00 0.22 H new ATOM 0 HB3 ALA C1907 -7.229 -0.988 7.616 1.00 0.22 H new ATOM 168 N ASP C1908 -5.834 -0.859 10.105 1.00 0.24 N ATOM 169 CA ASP C1908 -5.630 -0.091 11.330 1.00 0.26 C ATOM 170 C ASP C1908 -4.343 -0.518 12.045 1.00 0.27 C ATOM 171 O ASP C1908 -3.692 0.290 12.710 1.00 0.34 O ATOM 172 CB ASP C1908 -6.845 -0.251 12.248 1.00 0.33 C ATOM 173 CG ASP C1908 -6.625 0.319 13.633 1.00 0.44 C ATOM 174 OD1 ASP C1908 -6.215 1.492 13.749 1.00 0.58 O ATOM 175 OD2 ASP C1908 -6.856 -0.416 14.616 1.00 0.68 O ATOM 0 H ASP C1908 -6.720 -1.363 10.070 1.00 0.24 H new ATOM 0 HA ASP C1908 -5.522 0.961 11.067 1.00 0.26 H new ATOM 0 HB2 ASP C1908 -7.704 0.241 11.792 1.00 0.33 H new ATOM 0 HB3 ASP C1908 -7.091 -1.309 12.333 1.00 0.33 H new ATOM 180 N ALA C1909 -3.964 -1.782 11.887 1.00 0.23 N ATOM 181 CA ALA C1909 -2.719 -2.277 12.464 1.00 0.24 C ATOM 182 C ALA C1909 -1.519 -1.733 11.694 1.00 0.22 C ATOM 183 O ALA C1909 -0.693 -1.031 12.255 1.00 0.24 O ATOM 184 CB ALA C1909 -2.698 -3.794 12.493 1.00 0.27 C ATOM 0 H ALA C1909 -4.498 -2.479 11.367 1.00 0.23 H new ATOM 0 HA ALA C1909 -2.657 -1.922 13.493 1.00 0.24 H new ATOM 0 HB1 ALA C1909 -1.759 -4.137 12.928 1.00 0.27 H new ATOM 0 HB2 ALA C1909 -3.531 -4.158 13.095 1.00 0.27 H new ATOM 0 HB3 ALA C1909 -2.789 -4.179 11.477 1.00 0.27 H new ATOM 190 N MET C1910 -1.424 -2.056 10.411 1.00 0.19 N ATOM 191 CA MET C1910 -0.403 -1.476 9.537 1.00 0.19 C ATOM 192 C MET C1910 -0.298 0.051 9.671 1.00 0.19 C ATOM 193 O MET C1910 0.767 0.617 9.467 1.00 0.22 O ATOM 194 CB MET C1910 -0.705 -1.859 8.086 1.00 0.18 C ATOM 195 CG MET C1910 -0.002 -0.998 7.041 1.00 0.20 C ATOM 196 SD MET C1910 -0.420 -1.483 5.365 1.00 0.20 S ATOM 197 CE MET C1910 0.135 -3.183 5.368 1.00 0.14 C ATOM 0 H MET C1910 -2.044 -2.720 9.947 1.00 0.19 H new ATOM 0 HA MET C1910 0.561 -1.881 9.844 1.00 0.19 H new ATOM 0 HB2 MET C1910 -0.419 -2.900 7.932 1.00 0.18 H new ATOM 0 HB3 MET C1910 -1.781 -1.797 7.924 1.00 0.18 H new ATOM 0 HG2 MET C1910 -0.273 0.047 7.193 1.00 0.20 H new ATOM 0 HG3 MET C1910 1.077 -1.071 7.180 1.00 0.20 H new ATOM 0 HE1 MET C1910 0.061 -3.592 4.360 1.00 0.14 H new ATOM 0 HE2 MET C1910 1.172 -3.227 5.702 1.00 0.14 H new ATOM 0 HE3 MET C1910 -0.489 -3.768 6.044 1.00 0.14 H new ATOM 207 N ASN C1911 -1.381 0.717 10.037 1.00 0.21 N ATOM 208 CA ASN C1911 -1.398 2.179 10.054 1.00 0.22 C ATOM 209 C ASN C1911 -0.521 2.775 11.152 1.00 0.23 C ATOM 210 O ASN C1911 0.041 3.856 10.975 1.00 0.27 O ATOM 211 CB ASN C1911 -2.822 2.699 10.193 1.00 0.24 C ATOM 212 CG ASN C1911 -2.903 4.192 9.968 1.00 0.25 C ATOM 213 OD1 ASN C1911 -2.822 4.985 10.905 1.00 0.42 O ATOM 214 ND2 ASN C1911 -3.043 4.583 8.716 1.00 0.25 N ATOM 0 H ASN C1911 -2.255 0.277 10.325 1.00 0.21 H new ATOM 0 HA ASN C1911 -0.981 2.499 9.099 1.00 0.22 H new ATOM 0 HB2 ASN C1911 -3.466 2.189 9.477 1.00 0.24 H new ATOM 0 HB3 ASN C1911 -3.200 2.461 11.187 1.00 0.24 H new ATOM 0 HD21 ASN C1911 -3.088 5.578 8.494 1.00 0.25 H new ATOM 0 HD22 ASN C1911 -3.106 3.891 7.970 1.00 0.25 H new ATOM 221 N ARG C1912 -0.376 2.096 12.278 1.00 0.23 N ATOM 222 CA ARG C1912 0.439 2.637 13.339 1.00 0.26 C ATOM 223 C ARG C1912 1.916 2.557 12.973 1.00 0.28 C ATOM 224 O ARG C1912 2.692 3.476 13.235 1.00 0.38 O ATOM 225 CB ARG C1912 0.155 1.939 14.674 1.00 0.30 C ATOM 226 CG ARG C1912 -0.067 0.435 14.634 1.00 0.75 C ATOM 227 CD ARG C1912 1.213 -0.310 14.311 1.00 1.46 C ATOM 228 NE ARG C1912 1.069 -1.755 14.469 1.00 2.17 N ATOM 229 CZ ARG C1912 2.097 -2.601 14.564 1.00 2.91 C ATOM 230 NH1 ARG C1912 3.346 -2.150 14.546 1.00 3.13 N ATOM 231 NH2 ARG C1912 1.867 -3.899 14.700 1.00 3.76 N ATOM 0 H ARG C1912 -0.803 1.191 12.474 1.00 0.23 H new ATOM 0 HA ARG C1912 0.178 3.688 13.463 1.00 0.26 H new ATOM 0 HB2 ARG C1912 0.990 2.140 15.346 1.00 0.30 H new ATOM 0 HB3 ARG C1912 -0.728 2.400 15.116 1.00 0.30 H new ATOM 0 HG2 ARG C1912 -0.452 0.098 15.596 1.00 0.75 H new ATOM 0 HG3 ARG C1912 -0.825 0.198 13.887 1.00 0.75 H new ATOM 0 HD2 ARG C1912 1.512 -0.087 13.287 1.00 1.46 H new ATOM 0 HD3 ARG C1912 2.012 0.046 14.961 1.00 1.46 H new ATOM 0 HE ARG C1912 0.126 -2.141 14.509 1.00 2.17 H new ATOM 0 HH11 ARG C1912 3.526 -1.150 14.459 1.00 3.13 H new ATOM 0 HH12 ARG C1912 4.125 -2.804 14.619 1.00 3.13 H new ATOM 0 HH21 ARG C1912 0.909 -4.247 14.732 1.00 3.76 H new ATOM 0 HH22 ARG C1912 2.648 -4.550 14.773 1.00 3.76 H new ATOM 245 N GLU C1913 2.284 1.460 12.346 1.00 0.23 N ATOM 246 CA GLU C1913 3.655 1.239 11.923 1.00 0.25 C ATOM 247 C GLU C1913 3.956 2.006 10.647 1.00 0.22 C ATOM 248 O GLU C1913 5.044 2.526 10.489 1.00 0.27 O ATOM 249 CB GLU C1913 3.921 -0.252 11.713 1.00 0.29 C ATOM 250 CG GLU C1913 3.011 -0.901 10.684 1.00 0.29 C ATOM 251 CD GLU C1913 3.295 -2.378 10.497 1.00 0.39 C ATOM 252 OE1 GLU C1913 3.961 -2.972 11.371 1.00 0.79 O ATOM 253 OE2 GLU C1913 2.836 -2.955 9.491 1.00 0.57 O ATOM 0 H GLU C1913 1.646 0.698 12.115 1.00 0.23 H new ATOM 0 HA GLU C1913 4.313 1.604 12.712 1.00 0.25 H new ATOM 0 HB2 GLU C1913 4.957 -0.386 11.403 1.00 0.29 H new ATOM 0 HB3 GLU C1913 3.804 -0.770 12.665 1.00 0.29 H new ATOM 0 HG2 GLU C1913 1.973 -0.771 10.990 1.00 0.29 H new ATOM 0 HG3 GLU C1913 3.128 -0.389 9.729 1.00 0.29 H new ATOM 260 N VAL C1914 2.975 2.091 9.759 1.00 0.19 N ATOM 261 CA VAL C1914 3.151 2.738 8.463 1.00 0.20 C ATOM 262 C VAL C1914 3.571 4.192 8.629 1.00 0.18 C ATOM 263 O VAL C1914 4.406 4.698 7.888 1.00 0.20 O ATOM 264 CB VAL C1914 1.847 2.663 7.629 1.00 0.24 C ATOM 265 CG1 VAL C1914 0.840 3.673 8.107 1.00 0.26 C ATOM 266 CG2 VAL C1914 2.106 2.860 6.157 1.00 0.29 C ATOM 0 H VAL C1914 2.039 1.716 9.914 1.00 0.19 H new ATOM 0 HA VAL C1914 3.941 2.205 7.934 1.00 0.20 H new ATOM 0 HB VAL C1914 1.442 1.661 7.771 1.00 0.24 H new ATOM 0 HG11 VAL C1914 -0.065 3.598 7.504 1.00 0.26 H new ATOM 0 HG12 VAL C1914 0.597 3.478 9.152 1.00 0.26 H new ATOM 0 HG13 VAL C1914 1.257 4.676 8.012 1.00 0.26 H new ATOM 0 HG21 VAL C1914 1.165 2.800 5.611 1.00 0.29 H new ATOM 0 HG22 VAL C1914 2.558 3.839 5.995 1.00 0.29 H new ATOM 0 HG23 VAL C1914 2.783 2.084 5.800 1.00 0.29 H new ATOM 276 N SER C1915 3.013 4.850 9.630 1.00 0.21 N ATOM 277 CA SER C1915 3.266 6.254 9.832 1.00 0.28 C ATOM 278 C SER C1915 4.685 6.452 10.359 1.00 0.28 C ATOM 279 O SER C1915 5.352 7.435 10.037 1.00 0.36 O ATOM 280 CB SER C1915 2.225 6.820 10.787 1.00 0.36 C ATOM 281 OG SER C1915 2.212 8.239 10.770 1.00 1.31 O ATOM 0 H SER C1915 2.383 4.429 10.312 1.00 0.21 H new ATOM 0 HA SER C1915 3.187 6.791 8.887 1.00 0.28 H new ATOM 0 HB2 SER C1915 1.239 6.444 10.514 1.00 0.36 H new ATOM 0 HB3 SER C1915 2.431 6.470 11.799 1.00 0.36 H new ATOM 0 HG SER C1915 1.473 8.553 10.207 1.00 1.31 H new ATOM 287 N SER C1916 5.154 5.490 11.142 1.00 0.25 N ATOM 288 CA SER C1916 6.517 5.520 11.648 1.00 0.27 C ATOM 289 C SER C1916 7.487 4.970 10.599 1.00 0.27 C ATOM 290 O SER C1916 8.598 5.478 10.442 1.00 0.29 O ATOM 291 CB SER C1916 6.616 4.717 12.951 1.00 0.31 C ATOM 292 OG SER C1916 7.915 4.797 13.517 1.00 1.04 O ATOM 0 H SER C1916 4.610 4.680 11.440 1.00 0.25 H new ATOM 0 HA SER C1916 6.791 6.554 11.858 1.00 0.27 H new ATOM 0 HB2 SER C1916 5.883 5.091 13.666 1.00 0.31 H new ATOM 0 HB3 SER C1916 6.367 3.674 12.756 1.00 0.31 H new ATOM 0 HG SER C1916 7.943 4.276 14.346 1.00 1.04 H new ATOM 298 N LEU C1917 7.058 3.942 9.868 1.00 0.30 N ATOM 299 CA LEU C1917 7.887 3.326 8.849 1.00 0.30 C ATOM 300 C LEU C1917 8.106 4.287 7.693 1.00 0.26 C ATOM 301 O LEU C1917 9.234 4.464 7.239 1.00 0.26 O ATOM 302 CB LEU C1917 7.286 1.991 8.356 1.00 0.42 C ATOM 303 CG LEU C1917 8.219 1.129 7.480 1.00 0.57 C ATOM 304 CD1 LEU C1917 7.657 -0.256 7.261 1.00 1.25 C ATOM 305 CD2 LEU C1917 8.447 1.767 6.136 1.00 1.16 C ATOM 0 H LEU C1917 6.135 3.521 9.968 1.00 0.30 H new ATOM 0 HA LEU C1917 8.854 3.097 9.297 1.00 0.30 H new ATOM 0 HB2 LEU C1917 6.986 1.404 9.224 1.00 0.42 H new ATOM 0 HB3 LEU C1917 6.380 2.207 7.789 1.00 0.42 H new ATOM 0 HG LEU C1917 9.164 1.054 8.018 1.00 0.57 H new ATOM 0 HD11 LEU C1917 8.342 -0.833 6.640 1.00 1.25 H new ATOM 0 HD12 LEU C1917 7.532 -0.754 8.222 1.00 1.25 H new ATOM 0 HD13 LEU C1917 6.690 -0.182 6.763 1.00 1.25 H new ATOM 0 HD21 LEU C1917 9.108 1.137 5.541 1.00 1.16 H new ATOM 0 HD22 LEU C1917 7.493 1.880 5.621 1.00 1.16 H new ATOM 0 HD23 LEU C1917 8.905 2.747 6.271 1.00 1.16 H new ATOM 317 N LYS C1918 7.047 4.922 7.220 1.00 0.28 N ATOM 318 CA LYS C1918 7.191 5.855 6.120 1.00 0.29 C ATOM 319 C LYS C1918 8.115 7.001 6.538 1.00 0.32 C ATOM 320 O LYS C1918 8.731 7.666 5.706 1.00 0.38 O ATOM 321 CB LYS C1918 5.824 6.351 5.622 1.00 0.39 C ATOM 322 CG LYS C1918 5.607 7.842 5.717 1.00 0.29 C ATOM 323 CD LYS C1918 5.162 8.236 7.113 1.00 0.40 C ATOM 324 CE LYS C1918 5.553 9.662 7.420 1.00 0.69 C ATOM 325 NZ LYS C1918 5.084 10.100 8.761 1.00 1.36 N ATOM 0 H LYS C1918 6.097 4.811 7.573 1.00 0.28 H new ATOM 0 HA LYS C1918 7.651 5.344 5.274 1.00 0.29 H new ATOM 0 HB2 LYS C1918 5.702 6.048 4.582 1.00 0.39 H new ATOM 0 HB3 LYS C1918 5.043 5.849 6.194 1.00 0.39 H new ATOM 0 HG2 LYS C1918 6.529 8.365 5.464 1.00 0.29 H new ATOM 0 HG3 LYS C1918 4.856 8.151 4.990 1.00 0.29 H new ATOM 0 HD2 LYS C1918 4.081 8.124 7.200 1.00 0.40 H new ATOM 0 HD3 LYS C1918 5.612 7.566 7.845 1.00 0.40 H new ATOM 0 HE2 LYS C1918 6.637 9.758 7.368 1.00 0.69 H new ATOM 0 HE3 LYS C1918 5.137 10.322 6.659 1.00 0.69 H new ATOM 0 HZ1 LYS C1918 5.713 10.845 9.123 1.00 1.36 H new ATOM 0 HZ2 LYS C1918 4.115 10.471 8.686 1.00 1.36 H new ATOM 0 HZ3 LYS C1918 5.095 9.291 9.414 1.00 1.36 H new ATOM 339 N ASN C1919 8.235 7.185 7.851 1.00 0.31 N ATOM 340 CA ASN C1919 9.099 8.205 8.417 1.00 0.33 C ATOM 341 C ASN C1919 10.546 7.711 8.503 1.00 0.32 C ATOM 342 O ASN C1919 11.476 8.515 8.486 1.00 0.41 O ATOM 343 CB ASN C1919 8.590 8.620 9.801 1.00 0.37 C ATOM 344 CG ASN C1919 9.408 9.737 10.421 1.00 0.43 C ATOM 345 OD1 ASN C1919 10.394 9.486 11.113 1.00 1.05 O ATOM 346 ND2 ASN C1919 9.003 10.976 10.185 1.00 1.15 N ATOM 0 H ASN C1919 7.736 6.630 8.546 1.00 0.31 H new ATOM 0 HA ASN C1919 9.079 9.075 7.760 1.00 0.33 H new ATOM 0 HB2 ASN C1919 7.551 8.940 9.720 1.00 0.37 H new ATOM 0 HB3 ASN C1919 8.606 7.754 10.463 1.00 0.37 H new ATOM 0 HD21 ASN C1919 9.514 11.764 10.583 1.00 1.15 H new ATOM 0 HD22 ASN C1919 8.180 11.142 9.606 1.00 1.15 H new ATOM 353 N LYS C1920 10.751 6.389 8.575 1.00 0.28 N ATOM 354 CA LYS C1920 12.104 5.855 8.582 1.00 0.37 C ATOM 355 C LYS C1920 12.610 5.753 7.158 1.00 0.41 C ATOM 356 O LYS C1920 13.792 5.950 6.892 1.00 0.53 O ATOM 357 CB LYS C1920 12.248 4.502 9.334 1.00 0.48 C ATOM 358 CG LYS C1920 11.028 3.572 9.364 1.00 0.33 C ATOM 359 CD LYS C1920 11.295 2.373 10.273 1.00 0.44 C ATOM 360 CE LYS C1920 10.086 1.456 10.382 1.00 1.36 C ATOM 361 NZ LYS C1920 10.321 0.310 11.301 1.00 1.64 N ATOM 0 H LYS C1920 10.010 5.690 8.628 1.00 0.28 H new ATOM 0 HA LYS C1920 12.721 6.554 9.147 1.00 0.37 H new ATOM 0 HB2 LYS C1920 13.077 3.955 8.885 1.00 0.48 H new ATOM 0 HB3 LYS C1920 12.530 4.719 10.364 1.00 0.48 H new ATOM 0 HG2 LYS C1920 10.155 4.119 9.719 1.00 0.33 H new ATOM 0 HG3 LYS C1920 10.800 3.228 8.355 1.00 0.33 H new ATOM 0 HD2 LYS C1920 12.144 1.808 9.887 1.00 0.44 H new ATOM 0 HD3 LYS C1920 11.572 2.726 11.266 1.00 0.44 H new ATOM 0 HE2 LYS C1920 9.229 2.030 10.734 1.00 1.36 H new ATOM 0 HE3 LYS C1920 9.831 1.077 9.392 1.00 1.36 H new ATOM 0 HZ1 LYS C1920 9.468 -0.284 11.340 1.00 1.64 H new ATOM 0 HZ2 LYS C1920 11.121 -0.256 10.953 1.00 1.64 H new ATOM 0 HZ3 LYS C1920 10.538 0.667 12.253 1.00 1.64 H new ATOM 375 N LEU C1921 11.701 5.501 6.231 1.00 0.38 N ATOM 376 CA LEU C1921 12.061 5.464 4.825 1.00 0.46 C ATOM 377 C LEU C1921 12.414 6.861 4.336 1.00 0.59 C ATOM 378 O LEU C1921 13.326 7.050 3.538 1.00 0.92 O ATOM 379 CB LEU C1921 10.924 4.885 3.979 1.00 0.44 C ATOM 380 CG LEU C1921 10.427 3.505 4.407 1.00 0.38 C ATOM 381 CD1 LEU C1921 9.641 2.844 3.291 1.00 0.40 C ATOM 382 CD2 LEU C1921 11.577 2.615 4.839 1.00 0.48 C ATOM 0 H LEU C1921 10.716 5.320 6.425 1.00 0.38 H new ATOM 0 HA LEU C1921 12.931 4.816 4.717 1.00 0.46 H new ATOM 0 HB2 LEU C1921 10.084 5.579 4.005 1.00 0.44 H new ATOM 0 HB3 LEU C1921 11.258 4.827 2.943 1.00 0.44 H new ATOM 0 HG LEU C1921 9.766 3.645 5.262 1.00 0.38 H new ATOM 0 HD11 LEU C1921 9.298 1.863 3.619 1.00 0.40 H new ATOM 0 HD12 LEU C1921 8.781 3.463 3.036 1.00 0.40 H new ATOM 0 HD13 LEU C1921 10.279 2.730 2.414 1.00 0.40 H new ATOM 0 HD21 LEU C1921 11.191 1.640 5.138 1.00 0.48 H new ATOM 0 HD22 LEU C1921 12.273 2.491 4.009 1.00 0.48 H new ATOM 0 HD23 LEU C1921 12.095 3.073 5.681 1.00 0.48 H new ATOM 394 N ARG C1922 11.700 7.839 4.846 1.00 0.49 N ATOM 395 CA ARG C1922 11.889 9.215 4.432 1.00 0.66 C ATOM 396 C ARG C1922 12.857 9.931 5.378 1.00 0.65 C ATOM 397 O ARG C1922 13.110 11.126 5.239 1.00 0.78 O ATOM 398 CB ARG C1922 10.527 9.902 4.379 1.00 0.87 C ATOM 399 CG ARG C1922 10.450 11.150 3.511 1.00 1.15 C ATOM 400 CD ARG C1922 11.139 11.002 2.156 1.00 1.07 C ATOM 401 NE ARG C1922 12.600 11.045 2.242 1.00 1.64 N ATOM 402 CZ ARG C1922 13.324 12.157 2.118 1.00 2.45 C ATOM 403 NH1 ARG C1922 12.724 13.329 1.938 1.00 2.92 N ATOM 404 NH2 ARG C1922 14.648 12.095 2.165 1.00 3.23 N ATOM 0 H ARG C1922 10.977 7.707 5.554 1.00 0.49 H new ATOM 0 HA ARG C1922 12.336 9.251 3.438 1.00 0.66 H new ATOM 0 HB2 ARG C1922 9.792 9.183 4.016 1.00 0.87 H new ATOM 0 HB3 ARG C1922 10.236 10.170 5.395 1.00 0.87 H new ATOM 0 HG2 ARG C1922 9.403 11.405 3.350 1.00 1.15 H new ATOM 0 HG3 ARG C1922 10.902 11.984 4.049 1.00 1.15 H new ATOM 0 HD2 ARG C1922 10.836 10.058 1.703 1.00 1.07 H new ATOM 0 HD3 ARG C1922 10.797 11.797 1.494 1.00 1.07 H new ATOM 0 HE ARG C1922 13.095 10.169 2.407 1.00 1.64 H new ATOM 0 HH11 ARG C1922 11.706 13.380 1.894 1.00 2.92 H new ATOM 0 HH12 ARG C1922 13.281 14.178 1.844 1.00 2.92 H new ATOM 0 HH21 ARG C1922 15.112 11.196 2.296 1.00 3.23 H new ATOM 0 HH22 ARG C1922 15.202 12.946 2.070 1.00 3.23 H new ATOM 418 N ARG C1923 13.388 9.182 6.342 1.00 0.58 N ATOM 419 CA ARG C1923 14.354 9.710 7.304 1.00 0.73 C ATOM 420 C ARG C1923 15.581 10.273 6.582 1.00 1.24 C ATOM 421 O ARG C1923 15.984 11.414 6.817 1.00 2.11 O ATOM 422 CB ARG C1923 14.768 8.603 8.281 1.00 0.81 C ATOM 423 CG ARG C1923 15.697 9.056 9.397 1.00 1.13 C ATOM 424 CD ARG C1923 15.036 10.071 10.318 1.00 1.55 C ATOM 425 NE ARG C1923 13.789 9.571 10.902 1.00 2.40 N ATOM 426 CZ ARG C1923 13.681 9.104 12.147 1.00 3.28 C ATOM 427 NH1 ARG C1923 14.751 9.006 12.928 1.00 3.55 N ATOM 428 NH2 ARG C1923 12.496 8.739 12.614 1.00 4.28 N ATOM 0 H ARG C1923 13.162 8.197 6.478 1.00 0.58 H new ATOM 0 HA ARG C1923 13.888 10.522 7.863 1.00 0.73 H new ATOM 0 HB2 ARG C1923 13.870 8.175 8.726 1.00 0.81 H new ATOM 0 HB3 ARG C1923 15.257 7.806 7.720 1.00 0.81 H new ATOM 0 HG2 ARG C1923 16.012 8.190 9.980 1.00 1.13 H new ATOM 0 HG3 ARG C1923 16.597 9.493 8.964 1.00 1.13 H new ATOM 0 HD2 ARG C1923 15.728 10.335 11.118 1.00 1.55 H new ATOM 0 HD3 ARG C1923 14.831 10.984 9.759 1.00 1.55 H new ATOM 0 HE ARG C1923 12.951 9.581 10.320 1.00 2.40 H new ATOM 0 HH11 ARG C1923 15.666 9.289 12.577 1.00 3.55 H new ATOM 0 HH12 ARG C1923 14.658 8.648 13.878 1.00 3.55 H new ATOM 0 HH21 ARG C1923 11.669 8.815 12.022 1.00 4.28 H new ATOM 0 HH22 ARG C1923 12.411 8.382 13.566 1.00 4.28 H new ATOM 442 N GLY C1924 16.164 9.473 5.697 1.00 1.22 N ATOM 443 CA GLY C1924 17.274 9.946 4.890 1.00 1.93 C ATOM 444 C GLY C1924 18.398 8.945 4.865 1.00 1.43 C ATOM 445 O GLY C1924 19.317 9.028 4.047 1.00 1.98 O ATOM 0 H GLY C1924 15.889 8.506 5.524 1.00 1.22 H new ATOM 0 HA2 GLY C1924 16.932 10.137 3.873 1.00 1.93 H new ATOM 0 HA3 GLY C1924 17.637 10.894 5.287 1.00 1.93 H new ATOM 449 N ASP C1925 18.306 7.981 5.762 1.00 0.81 N ATOM 450 CA ASP C1925 19.242 6.873 5.804 1.00 1.16 C ATOM 451 C ASP C1925 18.928 5.877 4.693 1.00 0.95 C ATOM 452 O ASP C1925 19.679 4.938 4.444 1.00 1.23 O ATOM 453 CB ASP C1925 19.171 6.185 7.167 1.00 1.89 C ATOM 454 CG ASP C1925 19.735 7.040 8.281 1.00 2.48 C ATOM 455 OD1 ASP C1925 20.957 6.976 8.518 1.00 2.71 O ATOM 456 OD2 ASP C1925 18.959 7.773 8.930 1.00 2.98 O ATOM 0 H ASP C1925 17.583 7.944 6.480 1.00 0.81 H new ATOM 0 HA ASP C1925 20.252 7.255 5.653 1.00 1.16 H new ATOM 0 HB2 ASP C1925 18.133 5.940 7.392 1.00 1.89 H new ATOM 0 HB3 ASP C1925 19.719 5.244 7.124 1.00 1.89 H new ATOM 461 N LEU C1926 17.810 6.104 4.021 1.00 0.64 N ATOM 462 CA LEU C1926 17.363 5.229 2.954 1.00 0.60 C ATOM 463 C LEU C1926 18.014 5.563 1.618 1.00 0.54 C ATOM 464 O LEU C1926 18.372 6.711 1.354 1.00 0.72 O ATOM 465 CB LEU C1926 15.849 5.320 2.789 1.00 0.93 C ATOM 466 CG LEU C1926 15.013 4.382 3.656 1.00 0.48 C ATOM 467 CD1 LEU C1926 13.878 3.832 2.817 1.00 0.56 C ATOM 468 CD2 LEU C1926 15.860 3.253 4.221 1.00 0.57 C ATOM 0 H LEU C1926 17.192 6.895 4.200 1.00 0.64 H new ATOM 0 HA LEU C1926 17.657 4.219 3.240 1.00 0.60 H new ATOM 0 HB2 LEU C1926 15.543 6.344 3.002 1.00 0.93 H new ATOM 0 HB3 LEU C1926 15.607 5.125 1.744 1.00 0.93 H new ATOM 0 HG LEU C1926 14.611 4.937 4.504 1.00 0.48 H new ATOM 0 HD11 LEU C1926 13.271 3.159 3.423 1.00 0.56 H new ATOM 0 HD12 LEU C1926 13.260 4.654 2.457 1.00 0.56 H new ATOM 0 HD13 LEU C1926 14.286 3.286 1.966 1.00 0.56 H new ATOM 0 HD21 LEU C1926 15.237 2.602 4.834 1.00 0.57 H new ATOM 0 HD22 LEU C1926 16.291 2.677 3.402 1.00 0.57 H new ATOM 0 HD23 LEU C1926 16.660 3.670 4.832 1.00 0.57 H new ATOM 480 N PRO C1927 18.176 4.540 0.763 1.00 0.46 N ATOM 481 CA PRO C1927 18.579 4.715 -0.624 1.00 0.55 C ATOM 482 C PRO C1927 17.378 4.832 -1.550 1.00 0.63 C ATOM 483 O PRO C1927 17.524 4.910 -2.770 1.00 1.12 O ATOM 484 CB PRO C1927 19.324 3.421 -0.920 1.00 0.54 C ATOM 485 CG PRO C1927 18.674 2.389 -0.052 1.00 0.44 C ATOM 486 CD PRO C1927 18.014 3.114 1.098 1.00 0.41 C ATOM 0 HA PRO C1927 19.165 5.622 -0.776 1.00 0.55 H new ATOM 0 HB2 PRO C1927 19.247 3.154 -1.974 1.00 0.54 H new ATOM 0 HB3 PRO C1927 20.386 3.516 -0.692 1.00 0.54 H new ATOM 0 HG2 PRO C1927 17.938 1.819 -0.619 1.00 0.44 H new ATOM 0 HG3 PRO C1927 19.413 1.677 0.317 1.00 0.44 H new ATOM 0 HD2 PRO C1927 16.962 2.843 1.189 1.00 0.41 H new ATOM 0 HD3 PRO C1927 18.490 2.871 2.048 1.00 0.41 H new ATOM 494 N PHE C1928 16.192 4.824 -0.957 1.00 0.30 N ATOM 495 CA PHE C1928 14.959 4.817 -1.718 1.00 0.27 C ATOM 496 C PHE C1928 13.935 5.719 -1.055 1.00 0.27 C ATOM 497 O PHE C1928 13.752 5.667 0.161 1.00 0.31 O ATOM 498 CB PHE C1928 14.457 3.372 -1.866 1.00 0.24 C ATOM 499 CG PHE C1928 13.169 3.032 -1.189 1.00 0.23 C ATOM 500 CD1 PHE C1928 11.985 3.651 -1.527 1.00 0.30 C ATOM 501 CD2 PHE C1928 13.154 2.064 -0.221 1.00 0.26 C ATOM 502 CE1 PHE C1928 10.819 3.315 -0.905 1.00 0.33 C ATOM 503 CE2 PHE C1928 11.983 1.714 0.405 1.00 0.29 C ATOM 504 CZ PHE C1928 10.816 2.344 0.061 1.00 0.27 C ATOM 0 H PHE C1928 16.062 4.822 0.055 1.00 0.30 H new ATOM 0 HA PHE C1928 15.133 5.211 -2.719 1.00 0.27 H new ATOM 0 HB2 PHE C1928 14.349 3.158 -2.929 1.00 0.24 H new ATOM 0 HB3 PHE C1928 15.228 2.704 -1.483 1.00 0.24 H new ATOM 0 HD1 PHE C1928 11.981 4.411 -2.294 1.00 0.30 H new ATOM 0 HD2 PHE C1928 14.074 1.570 0.054 1.00 0.26 H new ATOM 0 HE1 PHE C1928 9.899 3.814 -1.174 1.00 0.33 H new ATOM 0 HE2 PHE C1928 11.982 0.946 1.164 1.00 0.29 H new ATOM 0 HZ PHE C1928 9.893 2.075 0.552 1.00 0.27 H new ATOM 514 N VAL C1929 13.260 6.517 -1.875 1.00 0.25 N ATOM 515 CA VAL C1929 12.327 7.542 -1.419 1.00 0.25 C ATOM 516 C VAL C1929 11.506 8.050 -2.585 1.00 0.25 C ATOM 517 O VAL C1929 11.902 7.904 -3.737 1.00 0.27 O ATOM 518 CB VAL C1929 13.067 8.754 -0.852 1.00 0.29 C ATOM 519 CG1 VAL C1929 13.605 8.472 0.528 1.00 0.62 C ATOM 520 CG2 VAL C1929 14.182 9.109 -1.803 1.00 0.62 C ATOM 0 H VAL C1929 13.347 6.470 -2.890 1.00 0.25 H new ATOM 0 HA VAL C1929 11.702 7.084 -0.653 1.00 0.25 H new ATOM 0 HB VAL C1929 12.377 9.592 -0.755 1.00 0.29 H new ATOM 0 HG11 VAL C1929 14.125 9.353 0.903 1.00 0.62 H new ATOM 0 HG12 VAL C1929 12.780 8.226 1.197 1.00 0.62 H new ATOM 0 HG13 VAL C1929 14.299 7.633 0.483 1.00 0.62 H new ATOM 0 HG21 VAL C1929 14.726 9.972 -1.420 1.00 0.62 H new ATOM 0 HG22 VAL C1929 14.863 8.263 -1.897 1.00 0.62 H new ATOM 0 HG23 VAL C1929 13.764 9.348 -2.781 1.00 0.62 H new ATOM 530 N VAL C1930 10.390 8.682 -2.293 1.00 0.26 N ATOM 531 CA VAL C1930 9.607 9.302 -3.337 1.00 0.26 C ATOM 532 C VAL C1930 10.203 10.654 -3.722 1.00 0.29 C ATOM 533 O VAL C1930 10.447 11.504 -2.863 1.00 0.32 O ATOM 534 CB VAL C1930 8.140 9.501 -2.926 1.00 0.28 C ATOM 535 CG1 VAL C1930 7.349 10.129 -4.062 1.00 0.34 C ATOM 536 CG2 VAL C1930 7.518 8.182 -2.515 1.00 0.32 C ATOM 0 H VAL C1930 10.008 8.779 -1.352 1.00 0.26 H new ATOM 0 HA VAL C1930 9.633 8.624 -4.190 1.00 0.26 H new ATOM 0 HB VAL C1930 8.113 10.176 -2.071 1.00 0.28 H new ATOM 0 HG11 VAL C1930 6.312 10.263 -3.753 1.00 0.34 H new ATOM 0 HG12 VAL C1930 7.780 11.098 -4.314 1.00 0.34 H new ATOM 0 HG13 VAL C1930 7.386 9.477 -4.935 1.00 0.34 H new ATOM 0 HG21 VAL C1930 6.479 8.344 -2.227 1.00 0.32 H new ATOM 0 HG22 VAL C1930 7.559 7.484 -3.351 1.00 0.32 H new ATOM 0 HG23 VAL C1930 8.068 7.768 -1.670 1.00 0.32 H new ATOM 546 N PRO C1931 10.492 10.836 -5.015 1.00 0.34 N ATOM 547 CA PRO C1931 10.889 12.129 -5.577 1.00 0.42 C ATOM 548 C PRO C1931 9.748 13.145 -5.501 1.00 0.45 C ATOM 549 O PRO C1931 8.645 12.805 -5.079 1.00 0.45 O ATOM 550 CB PRO C1931 11.238 11.809 -7.034 1.00 0.56 C ATOM 551 CG PRO C1931 10.542 10.528 -7.331 1.00 0.48 C ATOM 552 CD PRO C1931 10.472 9.776 -6.032 1.00 0.36 C ATOM 0 HA PRO C1931 11.719 12.579 -5.032 1.00 0.42 H new ATOM 0 HB2 PRO C1931 10.904 12.603 -7.702 1.00 0.56 H new ATOM 0 HB3 PRO C1931 12.315 11.712 -7.168 1.00 0.56 H new ATOM 0 HG2 PRO C1931 9.544 10.711 -7.729 1.00 0.48 H new ATOM 0 HG3 PRO C1931 11.085 9.956 -8.083 1.00 0.48 H new ATOM 0 HD2 PRO C1931 9.565 9.175 -5.966 1.00 0.36 H new ATOM 0 HD3 PRO C1931 11.315 9.095 -5.917 1.00 0.36 H new ATOM 560 N ARG C1932 10.035 14.394 -5.875 1.00 0.54 N ATOM 561 CA ARG C1932 9.044 15.484 -5.840 1.00 0.70 C ATOM 562 C ARG C1932 7.667 15.034 -6.334 1.00 0.89 C ATOM 563 O ARG C1932 6.642 15.414 -5.775 1.00 1.79 O ATOM 564 CB ARG C1932 9.537 16.665 -6.677 1.00 0.83 C ATOM 565 CG ARG C1932 10.758 17.343 -6.086 1.00 1.53 C ATOM 566 CD ARG C1932 10.458 17.878 -4.699 1.00 2.00 C ATOM 567 NE ARG C1932 11.652 18.357 -4.016 1.00 2.79 N ATOM 568 CZ ARG C1932 11.676 18.717 -2.738 1.00 3.62 C ATOM 569 NH1 ARG C1932 10.566 18.671 -2.010 1.00 3.88 N ATOM 570 NH2 ARG C1932 12.811 19.123 -2.188 1.00 4.56 N ATOM 0 H ARG C1932 10.954 14.682 -6.210 1.00 0.54 H new ATOM 0 HA ARG C1932 8.933 15.788 -4.799 1.00 0.70 H new ATOM 0 HB2 ARG C1932 9.773 16.317 -7.683 1.00 0.83 H new ATOM 0 HB3 ARG C1932 8.734 17.395 -6.773 1.00 0.83 H new ATOM 0 HG2 ARG C1932 11.585 16.634 -6.036 1.00 1.53 H new ATOM 0 HG3 ARG C1932 11.076 18.159 -6.735 1.00 1.53 H new ATOM 0 HD2 ARG C1932 9.736 18.691 -4.775 1.00 2.00 H new ATOM 0 HD3 ARG C1932 9.993 17.093 -4.103 1.00 2.00 H new ATOM 0 HE ARG C1932 12.519 18.419 -4.550 1.00 2.79 H new ATOM 0 HH11 ARG C1932 9.692 18.358 -2.432 1.00 3.88 H new ATOM 0 HH12 ARG C1932 10.588 18.948 -1.029 1.00 3.88 H new ATOM 0 HH21 ARG C1932 13.664 19.159 -2.746 1.00 4.56 H new ATOM 0 HH22 ARG C1932 12.832 19.400 -1.207 1.00 4.56 H new ATOM 584 N ARG C1933 7.654 14.243 -7.392 1.00 0.74 N ATOM 585 CA ARG C1933 6.432 13.605 -7.870 1.00 0.76 C ATOM 586 C ARG C1933 6.720 12.144 -8.148 1.00 0.65 C ATOM 587 O ARG C1933 7.613 11.558 -7.548 1.00 0.69 O ATOM 588 CB ARG C1933 5.894 14.282 -9.143 1.00 0.95 C ATOM 589 CG ARG C1933 5.042 15.522 -8.893 1.00 1.66 C ATOM 590 CD ARG C1933 5.882 16.714 -8.477 1.00 1.80 C ATOM 591 NE ARG C1933 5.079 17.915 -8.274 1.00 2.56 N ATOM 592 CZ ARG C1933 5.397 19.103 -8.778 1.00 2.86 C ATOM 593 NH1 ARG C1933 6.470 19.229 -9.550 1.00 2.53 N ATOM 594 NH2 ARG C1933 4.640 20.159 -8.521 1.00 3.92 N ATOM 0 H ARG C1933 8.483 14.023 -7.944 1.00 0.74 H new ATOM 0 HA ARG C1933 5.667 13.703 -7.100 1.00 0.76 H new ATOM 0 HB2 ARG C1933 6.738 14.559 -9.775 1.00 0.95 H new ATOM 0 HB3 ARG C1933 5.302 13.557 -9.701 1.00 0.95 H new ATOM 0 HG2 ARG C1933 4.486 15.768 -9.798 1.00 1.66 H new ATOM 0 HG3 ARG C1933 4.308 15.307 -8.116 1.00 1.66 H new ATOM 0 HD2 ARG C1933 6.415 16.476 -7.556 1.00 1.80 H new ATOM 0 HD3 ARG C1933 6.636 16.908 -9.240 1.00 1.80 H new ATOM 0 HE ARG C1933 4.229 17.839 -7.716 1.00 2.56 H new ATOM 0 HH11 ARG C1933 7.049 18.415 -9.756 1.00 2.53 H new ATOM 0 HH12 ARG C1933 6.715 20.140 -9.938 1.00 2.53 H new ATOM 0 HH21 ARG C1933 3.811 20.062 -7.935 1.00 3.92 H new ATOM 0 HH22 ARG C1933 4.886 21.070 -8.909 1.00 3.92 H new ATOM 608 N MET C1934 5.977 11.564 -9.068 1.00 0.70 N ATOM 609 CA MET C1934 6.146 10.162 -9.411 1.00 0.73 C ATOM 610 C MET C1934 7.259 10.013 -10.446 1.00 0.84 C ATOM 611 O MET C1934 7.307 9.036 -11.194 1.00 1.02 O ATOM 612 CB MET C1934 4.836 9.586 -9.946 1.00 0.81 C ATOM 613 CG MET C1934 3.582 10.078 -9.229 1.00 0.89 C ATOM 614 SD MET C1934 3.769 10.226 -7.437 1.00 1.18 S ATOM 615 CE MET C1934 4.207 8.556 -6.967 1.00 0.55 C ATOM 0 H MET C1934 5.246 12.042 -9.595 1.00 0.70 H new ATOM 0 HA MET C1934 6.423 9.607 -8.515 1.00 0.73 H new ATOM 0 HB2 MET C1934 4.753 9.832 -11.005 1.00 0.81 H new ATOM 0 HB3 MET C1934 4.877 8.499 -9.873 1.00 0.81 H new ATOM 0 HG2 MET C1934 3.301 11.049 -9.636 1.00 0.89 H new ATOM 0 HG3 MET C1934 2.761 9.393 -9.443 1.00 0.89 H new ATOM 0 HE1 MET C1934 3.619 8.256 -6.100 1.00 0.55 H new ATOM 0 HE2 MET C1934 4.002 7.879 -7.796 1.00 0.55 H new ATOM 0 HE3 MET C1934 5.267 8.514 -6.718 1.00 0.55 H new ATOM 625 N ALA C1935 8.139 11.011 -10.463 1.00 0.93 N ATOM 626 CA ALA C1935 9.226 11.130 -11.428 1.00 1.04 C ATOM 627 C ALA C1935 10.060 9.859 -11.538 1.00 1.66 C ATOM 628 O ALA C1935 9.804 9.054 -12.458 1.00 2.07 O ATOM 629 CB ALA C1935 10.111 12.297 -11.030 1.00 1.04 C ATOM 630 OXT ALA C1935 10.988 9.682 -10.723 1.00 2.38 O ATOM 0 H ALA C1935 8.114 11.777 -9.790 1.00 0.93 H new ATOM 0 HA ALA C1935 8.783 11.299 -12.409 1.00 1.04 H new ATOM 0 HB1 ALA C1935 10.928 12.395 -11.745 1.00 1.04 H new ATOM 0 HB2 ALA C1935 9.522 13.214 -11.023 1.00 1.04 H new ATOM 0 HB3 ALA C1935 10.520 12.121 -10.035 1.00 1.04 H new TER 636 ALA C1935 ATOM 637 N MET A 1 1.375 -5.223 -18.768 1.00 1.37 N ATOM 638 CA MET A 1 1.223 -4.065 -19.677 1.00 0.72 C ATOM 639 C MET A 1 1.960 -2.859 -19.110 1.00 0.58 C ATOM 640 O MET A 1 2.825 -2.277 -19.770 1.00 0.77 O ATOM 641 CB MET A 1 -0.258 -3.730 -19.863 1.00 1.65 C ATOM 642 CG MET A 1 -0.519 -2.652 -20.902 1.00 2.36 C ATOM 643 SD MET A 1 -2.268 -2.231 -21.036 1.00 3.50 S ATOM 644 CE MET A 1 -2.978 -3.833 -21.409 1.00 4.47 C ATOM 0 H1 MET A 1 0.869 -6.042 -19.162 1.00 1.37 H new ATOM 0 H2 MET A 1 2.384 -5.455 -18.667 1.00 1.37 H new ATOM 0 H3 MET A 1 0.979 -4.987 -17.836 1.00 1.37 H new ATOM 0 HA MET A 1 1.651 -4.321 -20.646 1.00 0.72 H new ATOM 0 HB2 MET A 1 -0.792 -4.636 -20.151 1.00 1.65 H new ATOM 0 HB3 MET A 1 -0.670 -3.407 -18.907 1.00 1.65 H new ATOM 0 HG2 MET A 1 0.048 -1.758 -20.643 1.00 2.36 H new ATOM 0 HG3 MET A 1 -0.155 -2.991 -21.872 1.00 2.36 H new ATOM 0 HE1 MET A 1 -3.862 -3.703 -22.033 1.00 4.47 H new ATOM 0 HE2 MET A 1 -2.245 -4.441 -21.940 1.00 4.47 H new ATOM 0 HE3 MET A 1 -3.259 -4.331 -20.481 1.00 4.47 H new ATOM 654 N ALA A 2 1.608 -2.479 -17.890 1.00 0.37 N ATOM 655 CA ALA A 2 2.304 -1.408 -17.198 1.00 0.33 C ATOM 656 C ALA A 2 3.299 -1.996 -16.210 1.00 0.30 C ATOM 657 O ALA A 2 3.259 -3.196 -15.935 1.00 0.39 O ATOM 658 CB ALA A 2 1.313 -0.510 -16.474 1.00 0.33 C ATOM 0 H ALA A 2 0.844 -2.898 -17.360 1.00 0.37 H new ATOM 0 HA ALA A 2 2.841 -0.806 -17.931 1.00 0.33 H new ATOM 0 HB1 ALA A 2 1.852 0.287 -15.961 1.00 0.33 H new ATOM 0 HB2 ALA A 2 0.622 -0.075 -17.196 1.00 0.33 H new ATOM 0 HB3 ALA A 2 0.754 -1.098 -15.746 1.00 0.33 H new ATOM 664 N CYS A 3 4.195 -1.165 -15.691 1.00 0.29 N ATOM 665 CA CYS A 3 5.101 -1.597 -14.644 1.00 0.27 C ATOM 666 C CYS A 3 4.297 -1.833 -13.368 1.00 0.22 C ATOM 667 O CYS A 3 3.803 -0.889 -12.748 1.00 0.21 O ATOM 668 CB CYS A 3 6.195 -0.557 -14.418 1.00 0.32 C ATOM 669 SG CYS A 3 7.111 -0.117 -15.914 1.00 0.43 S ATOM 0 H CYS A 3 4.310 -0.193 -15.979 1.00 0.29 H new ATOM 0 HA CYS A 3 5.590 -2.525 -14.939 1.00 0.27 H new ATOM 0 HB2 CYS A 3 5.745 0.344 -14.001 1.00 0.32 H new ATOM 0 HB3 CYS A 3 6.895 -0.937 -13.674 1.00 0.32 H new ATOM 0 HG CYS A 3 8.015 0.772 -15.624 1.00 0.43 H new ATOM 675 N PRO A 4 4.143 -3.104 -12.988 1.00 0.20 N ATOM 676 CA PRO A 4 3.198 -3.531 -11.940 1.00 0.18 C ATOM 677 C PRO A 4 3.393 -2.834 -10.597 1.00 0.16 C ATOM 678 O PRO A 4 2.526 -2.075 -10.160 1.00 0.16 O ATOM 679 CB PRO A 4 3.521 -5.018 -11.804 1.00 0.21 C ATOM 680 CG PRO A 4 4.036 -5.404 -13.140 1.00 0.24 C ATOM 681 CD PRO A 4 4.879 -4.248 -13.559 1.00 0.24 C ATOM 0 HA PRO A 4 2.169 -3.293 -12.211 1.00 0.18 H new ATOM 0 HB2 PRO A 4 4.263 -5.194 -11.025 1.00 0.21 H new ATOM 0 HB3 PRO A 4 2.635 -5.595 -11.537 1.00 0.21 H new ATOM 0 HG2 PRO A 4 4.619 -6.324 -13.091 1.00 0.24 H new ATOM 0 HG3 PRO A 4 3.223 -5.579 -13.844 1.00 0.24 H new ATOM 0 HD2 PRO A 4 5.892 -4.319 -13.164 1.00 0.24 H new ATOM 0 HD3 PRO A 4 4.964 -4.178 -14.643 1.00 0.24 H new ATOM 689 N LEU A 5 4.538 -3.058 -9.960 1.00 0.16 N ATOM 690 CA LEU A 5 4.785 -2.495 -8.638 1.00 0.17 C ATOM 691 C LEU A 5 4.917 -0.982 -8.741 1.00 0.19 C ATOM 692 O LEU A 5 4.606 -0.256 -7.802 1.00 0.24 O ATOM 693 CB LEU A 5 6.048 -3.108 -8.021 1.00 0.17 C ATOM 694 CG LEU A 5 5.960 -3.455 -6.526 1.00 0.18 C ATOM 695 CD1 LEU A 5 5.789 -2.205 -5.679 1.00 0.20 C ATOM 696 CD2 LEU A 5 4.817 -4.425 -6.267 1.00 0.20 C ATOM 0 H LEU A 5 5.303 -3.620 -10.334 1.00 0.16 H new ATOM 0 HA LEU A 5 3.943 -2.731 -7.988 1.00 0.17 H new ATOM 0 HB2 LEU A 5 6.295 -4.016 -8.572 1.00 0.17 H new ATOM 0 HB3 LEU A 5 6.875 -2.413 -8.165 1.00 0.17 H new ATOM 0 HG LEU A 5 6.898 -3.932 -6.241 1.00 0.18 H new ATOM 0 HD11 LEU A 5 5.730 -2.484 -4.627 1.00 0.20 H new ATOM 0 HD12 LEU A 5 6.641 -1.543 -5.832 1.00 0.20 H new ATOM 0 HD13 LEU A 5 4.873 -1.691 -5.970 1.00 0.20 H new ATOM 0 HD21 LEU A 5 4.772 -4.658 -5.203 1.00 0.20 H new ATOM 0 HD22 LEU A 5 3.877 -3.971 -6.579 1.00 0.20 H new ATOM 0 HD23 LEU A 5 4.983 -5.342 -6.833 1.00 0.20 H new ATOM 708 N GLU A 6 5.353 -0.519 -9.904 1.00 0.19 N ATOM 709 CA GLU A 6 5.482 0.905 -10.162 1.00 0.23 C ATOM 710 C GLU A 6 4.144 1.606 -10.000 1.00 0.21 C ATOM 711 O GLU A 6 3.994 2.530 -9.195 1.00 0.25 O ATOM 712 CB GLU A 6 5.996 1.144 -11.581 1.00 0.32 C ATOM 713 CG GLU A 6 6.037 2.608 -11.981 1.00 0.47 C ATOM 714 CD GLU A 6 6.183 2.788 -13.475 1.00 0.90 C ATOM 715 OE1 GLU A 6 5.147 2.804 -14.175 1.00 1.78 O ATOM 716 OE2 GLU A 6 7.329 2.904 -13.954 1.00 1.39 O ATOM 0 H GLU A 6 5.624 -1.114 -10.687 1.00 0.19 H new ATOM 0 HA GLU A 6 6.191 1.311 -9.440 1.00 0.23 H new ATOM 0 HB2 GLU A 6 6.998 0.725 -11.669 1.00 0.32 H new ATOM 0 HB3 GLU A 6 5.361 0.603 -12.283 1.00 0.32 H new ATOM 0 HG2 GLU A 6 5.124 3.100 -11.645 1.00 0.47 H new ATOM 0 HG3 GLU A 6 6.869 3.098 -11.475 1.00 0.47 H new ATOM 723 N LYS A 7 3.168 1.138 -10.760 1.00 0.18 N ATOM 724 CA LYS A 7 1.871 1.776 -10.800 1.00 0.20 C ATOM 725 C LYS A 7 1.144 1.656 -9.476 1.00 0.17 C ATOM 726 O LYS A 7 0.303 2.486 -9.169 1.00 0.19 O ATOM 727 CB LYS A 7 1.031 1.220 -11.951 1.00 0.26 C ATOM 728 CG LYS A 7 1.312 1.932 -13.261 1.00 0.41 C ATOM 729 CD LYS A 7 0.824 3.369 -13.197 1.00 0.90 C ATOM 730 CE LYS A 7 1.611 4.286 -14.114 1.00 0.83 C ATOM 731 NZ LYS A 7 3.050 4.380 -13.726 1.00 1.16 N ATOM 0 H LYS A 7 3.254 0.316 -11.358 1.00 0.18 H new ATOM 0 HA LYS A 7 2.030 2.839 -10.979 1.00 0.20 H new ATOM 0 HB2 LYS A 7 1.235 0.156 -12.067 1.00 0.26 H new ATOM 0 HB3 LYS A 7 -0.027 1.317 -11.706 1.00 0.26 H new ATOM 0 HG2 LYS A 7 2.382 1.913 -13.470 1.00 0.41 H new ATOM 0 HG3 LYS A 7 0.818 1.409 -14.080 1.00 0.41 H new ATOM 0 HD2 LYS A 7 -0.231 3.405 -13.469 1.00 0.90 H new ATOM 0 HD3 LYS A 7 0.901 3.731 -12.172 1.00 0.90 H new ATOM 0 HE2 LYS A 7 1.537 3.922 -15.139 1.00 0.83 H new ATOM 0 HE3 LYS A 7 1.167 5.281 -14.097 1.00 0.83 H new ATOM 0 HZ1 LYS A 7 3.461 5.249 -14.123 1.00 1.16 H new ATOM 0 HZ2 LYS A 7 3.129 4.402 -12.689 1.00 1.16 H new ATOM 0 HZ3 LYS A 7 3.564 3.554 -14.095 1.00 1.16 H new ATOM 745 N ALA A 8 1.492 0.651 -8.684 1.00 0.18 N ATOM 746 CA ALA A 8 0.893 0.479 -7.366 1.00 0.19 C ATOM 747 C ALA A 8 0.950 1.775 -6.562 1.00 0.17 C ATOM 748 O ALA A 8 -0.071 2.245 -6.070 1.00 0.21 O ATOM 749 CB ALA A 8 1.585 -0.646 -6.612 1.00 0.20 C ATOM 0 H ALA A 8 2.184 -0.057 -8.930 1.00 0.18 H new ATOM 0 HA ALA A 8 -0.156 0.215 -7.504 1.00 0.19 H new ATOM 0 HB1 ALA A 8 1.126 -0.762 -5.630 1.00 0.20 H new ATOM 0 HB2 ALA A 8 1.483 -1.576 -7.172 1.00 0.20 H new ATOM 0 HB3 ALA A 8 2.642 -0.408 -6.493 1.00 0.20 H new ATOM 755 N LEU A 9 2.135 2.372 -6.463 1.00 0.14 N ATOM 756 CA LEU A 9 2.291 3.602 -5.691 1.00 0.14 C ATOM 757 C LEU A 9 1.810 4.812 -6.492 1.00 0.13 C ATOM 758 O LEU A 9 1.275 5.764 -5.924 1.00 0.16 O ATOM 759 CB LEU A 9 3.747 3.821 -5.251 1.00 0.15 C ATOM 760 CG LEU A 9 4.396 2.675 -4.463 1.00 0.16 C ATOM 761 CD1 LEU A 9 3.434 2.118 -3.432 1.00 0.19 C ATOM 762 CD2 LEU A 9 4.879 1.573 -5.387 1.00 0.15 C ATOM 0 H LEU A 9 2.990 2.030 -6.901 1.00 0.14 H new ATOM 0 HA LEU A 9 1.677 3.495 -4.797 1.00 0.14 H new ATOM 0 HB2 LEU A 9 4.349 4.010 -6.140 1.00 0.15 H new ATOM 0 HB3 LEU A 9 3.789 4.723 -4.641 1.00 0.15 H new ATOM 0 HG LEU A 9 5.263 3.082 -3.944 1.00 0.16 H new ATOM 0 HD11 LEU A 9 3.916 1.307 -2.886 1.00 0.19 H new ATOM 0 HD12 LEU A 9 3.151 2.907 -2.735 1.00 0.19 H new ATOM 0 HD13 LEU A 9 2.543 1.739 -3.933 1.00 0.19 H new ATOM 0 HD21 LEU A 9 5.333 0.777 -4.797 1.00 0.15 H new ATOM 0 HD22 LEU A 9 4.035 1.172 -5.948 1.00 0.15 H new ATOM 0 HD23 LEU A 9 5.616 1.977 -6.081 1.00 0.15 H new ATOM 774 N ASP A 10 2.008 4.771 -7.812 1.00 0.14 N ATOM 775 CA ASP A 10 1.534 5.842 -8.696 1.00 0.15 C ATOM 776 C ASP A 10 0.041 6.048 -8.539 1.00 0.15 C ATOM 777 O ASP A 10 -0.431 7.153 -8.260 1.00 0.18 O ATOM 778 CB ASP A 10 1.801 5.511 -10.172 1.00 0.19 C ATOM 779 CG ASP A 10 3.184 5.883 -10.655 1.00 0.48 C ATOM 780 OD1 ASP A 10 3.529 7.076 -10.613 1.00 1.18 O ATOM 781 OD2 ASP A 10 3.904 4.994 -11.146 1.00 1.19 O ATOM 0 H ASP A 10 2.491 4.012 -8.292 1.00 0.14 H new ATOM 0 HA ASP A 10 2.078 6.743 -8.412 1.00 0.15 H new ATOM 0 HB2 ASP A 10 1.651 4.442 -10.325 1.00 0.19 H new ATOM 0 HB3 ASP A 10 1.064 6.027 -10.787 1.00 0.19 H new ATOM 786 N VAL A 11 -0.698 4.971 -8.719 1.00 0.16 N ATOM 787 CA VAL A 11 -2.145 5.026 -8.743 1.00 0.18 C ATOM 788 C VAL A 11 -2.705 5.262 -7.348 1.00 0.18 C ATOM 789 O VAL A 11 -3.815 5.764 -7.199 1.00 0.23 O ATOM 790 CB VAL A 11 -2.734 3.741 -9.346 1.00 0.20 C ATOM 791 CG1 VAL A 11 -2.045 3.438 -10.669 1.00 0.23 C ATOM 792 CG2 VAL A 11 -2.605 2.571 -8.379 1.00 0.18 C ATOM 0 H VAL A 11 -0.313 4.036 -8.852 1.00 0.16 H new ATOM 0 HA VAL A 11 -2.434 5.866 -9.375 1.00 0.18 H new ATOM 0 HB VAL A 11 -3.798 3.892 -9.529 1.00 0.20 H new ATOM 0 HG11 VAL A 11 -2.463 2.527 -11.096 1.00 0.23 H new ATOM 0 HG12 VAL A 11 -2.201 4.267 -11.359 1.00 0.23 H new ATOM 0 HG13 VAL A 11 -0.977 3.303 -10.500 1.00 0.23 H new ATOM 0 HG21 VAL A 11 -3.030 1.676 -8.832 1.00 0.18 H new ATOM 0 HG22 VAL A 11 -1.552 2.399 -8.154 1.00 0.18 H new ATOM 0 HG23 VAL A 11 -3.140 2.800 -7.457 1.00 0.18 H new ATOM 802 N MET A 12 -1.920 4.911 -6.333 1.00 0.16 N ATOM 803 CA MET A 12 -2.291 5.168 -4.951 1.00 0.20 C ATOM 804 C MET A 12 -2.615 6.631 -4.734 1.00 0.24 C ATOM 805 O MET A 12 -3.594 6.952 -4.080 1.00 0.40 O ATOM 806 CB MET A 12 -1.173 4.753 -4.009 1.00 0.25 C ATOM 807 CG MET A 12 -1.272 3.316 -3.564 1.00 0.17 C ATOM 808 SD MET A 12 0.186 2.784 -2.666 1.00 0.72 S ATOM 809 CE MET A 12 -0.375 1.206 -2.076 1.00 0.19 C ATOM 0 H MET A 12 -1.019 4.446 -6.446 1.00 0.16 H new ATOM 0 HA MET A 12 -3.181 4.576 -4.736 1.00 0.20 H new ATOM 0 HB2 MET A 12 -0.214 4.908 -4.504 1.00 0.25 H new ATOM 0 HB3 MET A 12 -1.187 5.400 -3.132 1.00 0.25 H new ATOM 0 HG2 MET A 12 -2.151 3.193 -2.932 1.00 0.17 H new ATOM 0 HG3 MET A 12 -1.414 2.676 -4.435 1.00 0.17 H new ATOM 0 HE1 MET A 12 0.484 0.596 -1.795 1.00 0.19 H new ATOM 0 HE2 MET A 12 -1.018 1.350 -1.207 1.00 0.19 H new ATOM 0 HE3 MET A 12 -0.936 0.702 -2.863 1.00 0.19 H new ATOM 819 N VAL A 13 -1.779 7.511 -5.267 1.00 0.17 N ATOM 820 CA VAL A 13 -2.026 8.940 -5.159 1.00 0.19 C ATOM 821 C VAL A 13 -2.825 9.475 -6.353 1.00 0.20 C ATOM 822 O VAL A 13 -3.509 10.492 -6.241 1.00 0.28 O ATOM 823 CB VAL A 13 -0.719 9.747 -4.977 1.00 0.18 C ATOM 824 CG1 VAL A 13 -0.142 9.519 -3.589 1.00 0.21 C ATOM 825 CG2 VAL A 13 0.314 9.386 -6.026 1.00 0.19 C ATOM 0 H VAL A 13 -0.930 7.262 -5.775 1.00 0.17 H new ATOM 0 HA VAL A 13 -2.629 9.077 -4.261 1.00 0.19 H new ATOM 0 HB VAL A 13 -0.969 10.801 -5.097 1.00 0.18 H new ATOM 0 HG11 VAL A 13 0.777 10.094 -3.478 1.00 0.21 H new ATOM 0 HG12 VAL A 13 -0.864 9.840 -2.838 1.00 0.21 H new ATOM 0 HG13 VAL A 13 0.075 8.459 -3.455 1.00 0.21 H new ATOM 0 HG21 VAL A 13 1.218 9.974 -5.864 1.00 0.19 H new ATOM 0 HG22 VAL A 13 0.553 8.325 -5.951 1.00 0.19 H new ATOM 0 HG23 VAL A 13 -0.085 9.599 -7.018 1.00 0.19 H new ATOM 835 N SER A 14 -2.757 8.781 -7.486 1.00 0.19 N ATOM 836 CA SER A 14 -3.483 9.202 -8.684 1.00 0.22 C ATOM 837 C SER A 14 -4.989 8.964 -8.533 1.00 0.24 C ATOM 838 O SER A 14 -5.776 9.913 -8.555 1.00 0.28 O ATOM 839 CB SER A 14 -2.950 8.469 -9.917 1.00 0.24 C ATOM 840 OG SER A 14 -1.573 8.744 -10.113 1.00 1.12 O ATOM 0 H SER A 14 -2.210 7.928 -7.601 1.00 0.19 H new ATOM 0 HA SER A 14 -3.323 10.272 -8.814 1.00 0.22 H new ATOM 0 HB2 SER A 14 -3.097 7.395 -9.799 1.00 0.24 H new ATOM 0 HB3 SER A 14 -3.515 8.773 -10.798 1.00 0.24 H new ATOM 0 HG SER A 14 -1.035 8.076 -9.639 1.00 1.12 H new ATOM 846 N THR A 15 -5.379 7.704 -8.360 1.00 0.25 N ATOM 847 CA THR A 15 -6.780 7.343 -8.163 1.00 0.28 C ATOM 848 C THR A 15 -7.305 7.983 -6.877 1.00 0.30 C ATOM 849 O THR A 15 -8.494 8.281 -6.743 1.00 0.33 O ATOM 850 CB THR A 15 -6.942 5.807 -8.113 1.00 0.28 C ATOM 851 OG1 THR A 15 -6.360 5.223 -9.290 1.00 0.34 O ATOM 852 CG2 THR A 15 -8.404 5.401 -8.021 1.00 0.26 C ATOM 0 H THR A 15 -4.739 6.910 -8.352 1.00 0.25 H new ATOM 0 HA THR A 15 -7.363 7.717 -9.005 1.00 0.28 H new ATOM 0 HB THR A 15 -6.432 5.445 -7.220 1.00 0.28 H new ATOM 0 HG1 THR A 15 -6.929 4.491 -9.607 1.00 0.34 H new ATOM 0 HG21 THR A 15 -8.478 4.314 -7.988 1.00 0.26 H new ATOM 0 HG22 THR A 15 -8.842 5.822 -7.116 1.00 0.26 H new ATOM 0 HG23 THR A 15 -8.941 5.775 -8.893 1.00 0.26 H new ATOM 860 N PHE A 16 -6.385 8.194 -5.943 1.00 0.31 N ATOM 861 CA PHE A 16 -6.656 8.905 -4.702 1.00 0.37 C ATOM 862 C PHE A 16 -7.351 10.237 -4.971 1.00 0.42 C ATOM 863 O PHE A 16 -8.509 10.427 -4.598 1.00 0.54 O ATOM 864 CB PHE A 16 -5.330 9.141 -3.984 1.00 0.45 C ATOM 865 CG PHE A 16 -5.426 9.799 -2.646 1.00 0.36 C ATOM 866 CD1 PHE A 16 -6.146 9.218 -1.621 1.00 1.26 C ATOM 867 CD2 PHE A 16 -4.772 10.994 -2.410 1.00 1.24 C ATOM 868 CE1 PHE A 16 -6.214 9.818 -0.382 1.00 1.43 C ATOM 869 CE2 PHE A 16 -4.834 11.597 -1.175 1.00 1.39 C ATOM 870 CZ PHE A 16 -5.557 11.008 -0.161 1.00 0.99 C ATOM 0 H PHE A 16 -5.421 7.873 -6.028 1.00 0.31 H new ATOM 0 HA PHE A 16 -7.322 8.306 -4.081 1.00 0.37 H new ATOM 0 HB2 PHE A 16 -4.829 8.181 -3.861 1.00 0.45 H new ATOM 0 HB3 PHE A 16 -4.695 9.753 -4.625 1.00 0.45 H new ATOM 0 HD1 PHE A 16 -6.661 8.284 -1.792 1.00 1.26 H new ATOM 0 HD2 PHE A 16 -4.206 11.459 -3.204 1.00 1.24 H new ATOM 0 HE1 PHE A 16 -6.781 9.356 0.413 1.00 1.43 H new ATOM 0 HE2 PHE A 16 -4.317 12.529 -1.001 1.00 1.39 H new ATOM 0 HZ PHE A 16 -5.609 11.480 0.809 1.00 0.99 H new ATOM 880 N HIS A 17 -6.647 11.144 -5.646 1.00 0.44 N ATOM 881 CA HIS A 17 -7.174 12.482 -5.918 1.00 0.54 C ATOM 882 C HIS A 17 -8.325 12.420 -6.912 1.00 0.47 C ATOM 883 O HIS A 17 -9.160 13.323 -6.968 1.00 0.52 O ATOM 884 CB HIS A 17 -6.082 13.402 -6.471 1.00 0.72 C ATOM 885 CG HIS A 17 -4.905 13.569 -5.564 1.00 1.09 C ATOM 886 ND1 HIS A 17 -5.014 13.920 -4.237 1.00 2.16 N ATOM 887 CD2 HIS A 17 -3.582 13.413 -5.800 1.00 1.23 C ATOM 888 CE1 HIS A 17 -3.812 13.974 -3.702 1.00 2.80 C ATOM 889 NE2 HIS A 17 -2.926 13.669 -4.625 1.00 2.27 N ATOM 0 H HIS A 17 -5.711 10.978 -6.015 1.00 0.44 H new ATOM 0 HA HIS A 17 -7.536 12.886 -4.973 1.00 0.54 H new ATOM 0 HB2 HIS A 17 -5.737 13.005 -7.426 1.00 0.72 H new ATOM 0 HB3 HIS A 17 -6.515 14.382 -6.671 1.00 0.72 H new ATOM 0 HD1 HIS A 17 -5.888 14.108 -3.746 1.00 2.16 H new ATOM 0 HD2 HIS A 17 -3.127 13.138 -6.740 1.00 1.23 H new ATOM 0 HE1 HIS A 17 -3.590 14.227 -2.676 1.00 2.80 H new ATOM 898 N LYS A 18 -8.351 11.344 -7.686 1.00 0.43 N ATOM 899 CA LYS A 18 -9.373 11.122 -8.698 1.00 0.46 C ATOM 900 C LYS A 18 -10.774 11.117 -8.083 1.00 0.44 C ATOM 901 O LYS A 18 -11.710 11.679 -8.654 1.00 0.62 O ATOM 902 CB LYS A 18 -9.088 9.795 -9.408 1.00 0.55 C ATOM 903 CG LYS A 18 -10.113 9.390 -10.452 1.00 0.77 C ATOM 904 CD LYS A 18 -9.761 8.033 -11.040 1.00 0.73 C ATOM 905 CE LYS A 18 -10.836 7.527 -11.985 1.00 1.41 C ATOM 906 NZ LYS A 18 -10.533 6.158 -12.476 1.00 1.69 N ATOM 0 H LYS A 18 -7.659 10.596 -7.629 1.00 0.43 H new ATOM 0 HA LYS A 18 -9.342 11.938 -9.420 1.00 0.46 H new ATOM 0 HB2 LYS A 18 -8.111 9.859 -9.887 1.00 0.55 H new ATOM 0 HB3 LYS A 18 -9.024 9.006 -8.659 1.00 0.55 H new ATOM 0 HG2 LYS A 18 -11.105 9.352 -10.002 1.00 0.77 H new ATOM 0 HG3 LYS A 18 -10.150 10.138 -11.244 1.00 0.77 H new ATOM 0 HD2 LYS A 18 -8.813 8.104 -11.574 1.00 0.73 H new ATOM 0 HD3 LYS A 18 -9.620 7.314 -10.233 1.00 0.73 H new ATOM 0 HE2 LYS A 18 -11.799 7.526 -11.474 1.00 1.41 H new ATOM 0 HE3 LYS A 18 -10.925 8.207 -12.833 1.00 1.41 H new ATOM 0 HZ1 LYS A 18 -11.328 5.811 -13.051 1.00 1.69 H new ATOM 0 HZ2 LYS A 18 -9.670 6.180 -13.056 1.00 1.69 H new ATOM 0 HZ3 LYS A 18 -10.389 5.522 -11.665 1.00 1.69 H new ATOM 920 N TYR A 19 -10.913 10.496 -6.917 1.00 0.37 N ATOM 921 CA TYR A 19 -12.215 10.406 -6.263 1.00 0.41 C ATOM 922 C TYR A 19 -12.320 11.339 -5.059 1.00 0.48 C ATOM 923 O TYR A 19 -13.377 11.912 -4.819 1.00 0.73 O ATOM 924 CB TYR A 19 -12.516 8.964 -5.849 1.00 0.43 C ATOM 925 CG TYR A 19 -12.718 8.037 -7.027 1.00 0.38 C ATOM 926 CD1 TYR A 19 -13.975 7.871 -7.600 1.00 1.18 C ATOM 927 CD2 TYR A 19 -11.651 7.338 -7.573 1.00 1.14 C ATOM 928 CE1 TYR A 19 -14.160 7.036 -8.688 1.00 1.21 C ATOM 929 CE2 TYR A 19 -11.828 6.500 -8.654 1.00 1.14 C ATOM 930 CZ TYR A 19 -13.081 6.354 -9.209 1.00 0.48 C ATOM 931 OH TYR A 19 -13.250 5.533 -10.295 1.00 0.59 O ATOM 0 H TYR A 19 -10.149 10.051 -6.409 1.00 0.37 H new ATOM 0 HA TYR A 19 -12.961 10.727 -6.990 1.00 0.41 H new ATOM 0 HB2 TYR A 19 -11.696 8.590 -5.237 1.00 0.43 H new ATOM 0 HB3 TYR A 19 -13.411 8.951 -5.226 1.00 0.43 H new ATOM 0 HD1 TYR A 19 -14.820 8.403 -7.189 1.00 1.18 H new ATOM 0 HD2 TYR A 19 -10.666 7.452 -7.145 1.00 1.14 H new ATOM 0 HE1 TYR A 19 -15.141 6.920 -9.125 1.00 1.21 H new ATOM 0 HE2 TYR A 19 -10.987 5.960 -9.064 1.00 1.14 H new ATOM 0 HH TYR A 19 -12.390 5.129 -10.537 1.00 0.59 H new ATOM 941 N SER A 20 -11.237 11.511 -4.311 1.00 0.38 N ATOM 942 CA SER A 20 -11.276 12.384 -3.140 1.00 0.45 C ATOM 943 C SER A 20 -11.529 13.827 -3.561 1.00 0.54 C ATOM 944 O SER A 20 -12.354 14.518 -2.968 1.00 0.68 O ATOM 945 CB SER A 20 -9.977 12.280 -2.339 1.00 0.47 C ATOM 946 OG SER A 20 -8.853 12.548 -3.157 1.00 0.52 O ATOM 0 H SER A 20 -10.336 11.068 -4.488 1.00 0.38 H new ATOM 0 HA SER A 20 -12.096 12.059 -2.500 1.00 0.45 H new ATOM 0 HB2 SER A 20 -10.002 12.984 -1.507 1.00 0.47 H new ATOM 0 HB3 SER A 20 -9.889 11.282 -1.910 1.00 0.47 H new ATOM 0 HG SER A 20 -8.730 11.814 -3.795 1.00 0.52 H new ATOM 952 N GLY A 21 -10.850 14.251 -4.626 1.00 0.54 N ATOM 953 CA GLY A 21 -10.988 15.609 -5.121 1.00 0.65 C ATOM 954 C GLY A 21 -12.331 15.869 -5.778 1.00 0.68 C ATOM 955 O GLY A 21 -12.558 16.947 -6.328 1.00 0.82 O ATOM 0 H GLY A 21 -10.201 13.671 -5.158 1.00 0.54 H new ATOM 0 HA2 GLY A 21 -10.854 16.306 -4.294 1.00 0.65 H new ATOM 0 HA3 GLY A 21 -10.194 15.810 -5.840 1.00 0.65 H new ATOM 959 N LYS A 22 -13.215 14.881 -5.738 1.00 0.70 N ATOM 960 CA LYS A 22 -14.571 15.046 -6.235 1.00 0.76 C ATOM 961 C LYS A 22 -15.389 15.813 -5.197 1.00 0.85 C ATOM 962 O LYS A 22 -16.408 16.437 -5.509 1.00 0.93 O ATOM 963 CB LYS A 22 -15.189 13.675 -6.528 1.00 0.78 C ATOM 964 CG LYS A 22 -16.546 13.733 -7.208 1.00 1.19 C ATOM 965 CD LYS A 22 -17.046 12.343 -7.573 1.00 1.26 C ATOM 966 CE LYS A 22 -16.162 11.684 -8.620 1.00 1.71 C ATOM 967 NZ LYS A 22 -16.727 10.391 -9.087 1.00 2.08 N ATOM 0 H LYS A 22 -13.014 13.953 -5.364 1.00 0.70 H new ATOM 0 HA LYS A 22 -14.564 15.614 -7.165 1.00 0.76 H new ATOM 0 HB2 LYS A 22 -14.504 13.108 -7.158 1.00 0.78 H new ATOM 0 HB3 LYS A 22 -15.288 13.127 -5.591 1.00 0.78 H new ATOM 0 HG2 LYS A 22 -17.265 14.218 -6.547 1.00 1.19 H new ATOM 0 HG3 LYS A 22 -16.478 14.344 -8.108 1.00 1.19 H new ATOM 0 HD2 LYS A 22 -17.076 11.721 -6.679 1.00 1.26 H new ATOM 0 HD3 LYS A 22 -18.067 12.411 -7.949 1.00 1.26 H new ATOM 0 HE2 LYS A 22 -16.043 12.356 -9.470 1.00 1.71 H new ATOM 0 HE3 LYS A 22 -15.169 11.517 -8.204 1.00 1.71 H new ATOM 0 HZ1 LYS A 22 -15.953 9.754 -9.365 1.00 2.08 H new ATOM 0 HZ2 LYS A 22 -17.276 9.954 -8.319 1.00 2.08 H new ATOM 0 HZ3 LYS A 22 -17.348 10.558 -9.904 1.00 2.08 H new ATOM 981 N GLU A 23 -14.913 15.766 -3.962 1.00 0.96 N ATOM 982 CA GLU A 23 -15.482 16.543 -2.875 1.00 1.13 C ATOM 983 C GLU A 23 -14.724 17.864 -2.735 1.00 1.24 C ATOM 984 O GLU A 23 -13.876 18.185 -3.573 1.00 1.56 O ATOM 985 CB GLU A 23 -15.415 15.731 -1.579 1.00 1.44 C ATOM 986 CG GLU A 23 -16.443 14.614 -1.511 1.00 1.91 C ATOM 987 CD GLU A 23 -17.860 15.141 -1.416 1.00 2.47 C ATOM 988 OE1 GLU A 23 -18.216 15.699 -0.359 1.00 3.12 O ATOM 989 OE2 GLU A 23 -18.624 15.011 -2.396 1.00 2.94 O ATOM 0 H GLU A 23 -14.120 15.187 -3.686 1.00 0.96 H new ATOM 0 HA GLU A 23 -16.527 16.769 -3.088 1.00 1.13 H new ATOM 0 HB2 GLU A 23 -14.418 15.303 -1.479 1.00 1.44 H new ATOM 0 HB3 GLU A 23 -15.561 16.401 -0.732 1.00 1.44 H new ATOM 0 HG2 GLU A 23 -16.351 13.984 -2.396 1.00 1.91 H new ATOM 0 HG3 GLU A 23 -16.234 13.983 -0.647 1.00 1.91 H new ATOM 996 N GLY A 24 -15.039 18.636 -1.698 1.00 1.31 N ATOM 997 CA GLY A 24 -14.321 19.874 -1.448 1.00 1.56 C ATOM 998 C GLY A 24 -12.872 19.625 -1.084 1.00 1.32 C ATOM 999 O GLY A 24 -11.984 20.400 -1.446 1.00 1.41 O ATOM 0 H GLY A 24 -15.778 18.426 -1.027 1.00 1.31 H new ATOM 0 HA2 GLY A 24 -14.369 20.506 -2.335 1.00 1.56 H new ATOM 0 HA3 GLY A 24 -14.809 20.420 -0.641 1.00 1.56 H new ATOM 1003 N ASP A 25 -12.634 18.538 -0.365 1.00 1.15 N ATOM 1004 CA ASP A 25 -11.281 18.122 -0.023 1.00 1.05 C ATOM 1005 C ASP A 25 -10.699 17.329 -1.191 1.00 0.89 C ATOM 1006 O ASP A 25 -11.426 16.973 -2.113 1.00 0.91 O ATOM 1007 CB ASP A 25 -11.291 17.275 1.254 1.00 1.15 C ATOM 1008 CG ASP A 25 -9.925 17.184 1.906 1.00 1.30 C ATOM 1009 OD1 ASP A 25 -9.072 16.429 1.404 1.00 1.80 O ATOM 1010 OD2 ASP A 25 -9.704 17.875 2.924 1.00 1.94 O ATOM 0 H ASP A 25 -13.365 17.924 -0.005 1.00 1.15 H new ATOM 0 HA ASP A 25 -10.662 19.000 0.163 1.00 1.05 H new ATOM 0 HB2 ASP A 25 -12.000 17.702 1.963 1.00 1.15 H new ATOM 0 HB3 ASP A 25 -11.644 16.271 1.017 1.00 1.15 H new ATOM 1015 N LYS A 26 -9.402 17.069 -1.172 1.00 0.93 N ATOM 1016 CA LYS A 26 -8.764 16.367 -2.280 1.00 0.87 C ATOM 1017 C LYS A 26 -7.798 15.281 -1.799 1.00 0.82 C ATOM 1018 O LYS A 26 -7.062 14.695 -2.601 1.00 0.88 O ATOM 1019 CB LYS A 26 -8.066 17.369 -3.209 1.00 1.07 C ATOM 1020 CG LYS A 26 -7.261 18.441 -2.485 1.00 1.37 C ATOM 1021 CD LYS A 26 -5.844 17.993 -2.164 1.00 1.56 C ATOM 1022 CE LYS A 26 -4.981 17.948 -3.415 1.00 1.77 C ATOM 1023 NZ LYS A 26 -3.543 17.811 -3.089 1.00 2.57 N ATOM 0 H LYS A 26 -8.774 17.329 -0.412 1.00 0.93 H new ATOM 0 HA LYS A 26 -9.544 15.856 -2.844 1.00 0.87 H new ATOM 0 HB2 LYS A 26 -7.402 16.823 -3.879 1.00 1.07 H new ATOM 0 HB3 LYS A 26 -8.818 17.854 -3.831 1.00 1.07 H new ATOM 0 HG2 LYS A 26 -7.223 19.339 -3.101 1.00 1.37 H new ATOM 0 HG3 LYS A 26 -7.771 18.710 -1.560 1.00 1.37 H new ATOM 0 HD2 LYS A 26 -5.401 18.675 -1.438 1.00 1.56 H new ATOM 0 HD3 LYS A 26 -5.868 17.007 -1.701 1.00 1.56 H new ATOM 0 HE2 LYS A 26 -5.293 17.112 -4.041 1.00 1.77 H new ATOM 0 HE3 LYS A 26 -5.137 18.857 -3.996 1.00 1.77 H new ATOM 0 HZ1 LYS A 26 -2.975 18.286 -3.819 1.00 2.57 H new ATOM 0 HZ2 LYS A 26 -3.354 18.247 -2.164 1.00 2.57 H new ATOM 0 HZ3 LYS A 26 -3.289 16.803 -3.054 1.00 2.57 H new ATOM 1037 N PHE A 27 -7.791 15.026 -0.496 1.00 0.78 N ATOM 1038 CA PHE A 27 -7.046 13.907 0.064 1.00 0.78 C ATOM 1039 C PHE A 27 -7.920 13.118 1.035 1.00 0.69 C ATOM 1040 O PHE A 27 -7.441 12.251 1.768 1.00 0.68 O ATOM 1041 CB PHE A 27 -5.753 14.376 0.745 1.00 0.98 C ATOM 1042 CG PHE A 27 -5.938 15.444 1.785 1.00 0.66 C ATOM 1043 CD1 PHE A 27 -6.407 15.130 3.051 1.00 1.57 C ATOM 1044 CD2 PHE A 27 -5.630 16.763 1.494 1.00 1.53 C ATOM 1045 CE1 PHE A 27 -6.567 16.114 4.007 1.00 2.34 C ATOM 1046 CE2 PHE A 27 -5.787 17.750 2.446 1.00 2.32 C ATOM 1047 CZ PHE A 27 -6.255 17.425 3.704 1.00 2.54 C ATOM 0 H PHE A 27 -8.295 15.582 0.194 1.00 0.78 H new ATOM 0 HA PHE A 27 -6.761 13.249 -0.757 1.00 0.78 H new ATOM 0 HB2 PHE A 27 -5.272 13.516 1.210 1.00 0.98 H new ATOM 0 HB3 PHE A 27 -5.071 14.748 -0.020 1.00 0.98 H new ATOM 0 HD1 PHE A 27 -6.650 14.106 3.292 1.00 1.57 H new ATOM 0 HD2 PHE A 27 -5.263 17.022 0.512 1.00 1.53 H new ATOM 0 HE1 PHE A 27 -6.935 15.859 4.990 1.00 2.34 H new ATOM 0 HE2 PHE A 27 -5.544 18.775 2.207 1.00 2.32 H new ATOM 0 HZ PHE A 27 -6.377 18.196 4.451 1.00 2.54 H new ATOM 1057 N LYS A 28 -9.205 13.425 1.039 1.00 0.67 N ATOM 1058 CA LYS A 28 -10.132 12.779 1.948 1.00 0.64 C ATOM 1059 C LYS A 28 -11.292 12.155 1.179 1.00 0.48 C ATOM 1060 O LYS A 28 -12.041 12.850 0.491 1.00 0.54 O ATOM 1061 CB LYS A 28 -10.653 13.809 2.960 1.00 0.87 C ATOM 1062 CG LYS A 28 -11.510 13.221 4.064 1.00 1.00 C ATOM 1063 CD LYS A 28 -10.677 12.416 5.043 1.00 1.04 C ATOM 1064 CE LYS A 28 -9.936 13.304 6.029 1.00 1.55 C ATOM 1065 NZ LYS A 28 -10.868 14.000 6.957 1.00 2.03 N ATOM 0 H LYS A 28 -9.629 14.118 0.422 1.00 0.67 H new ATOM 0 HA LYS A 28 -9.613 11.982 2.480 1.00 0.64 H new ATOM 0 HB2 LYS A 28 -9.803 14.321 3.410 1.00 0.87 H new ATOM 0 HB3 LYS A 28 -11.234 14.562 2.428 1.00 0.87 H new ATOM 0 HG2 LYS A 28 -12.023 14.023 4.594 1.00 1.00 H new ATOM 0 HG3 LYS A 28 -12.279 12.583 3.629 1.00 1.00 H new ATOM 0 HD2 LYS A 28 -11.324 11.729 5.589 1.00 1.04 H new ATOM 0 HD3 LYS A 28 -9.959 11.808 4.493 1.00 1.04 H new ATOM 0 HE2 LYS A 28 -9.234 12.701 6.604 1.00 1.55 H new ATOM 0 HE3 LYS A 28 -9.349 14.042 5.483 1.00 1.55 H new ATOM 0 HZ1 LYS A 28 -10.341 14.342 7.786 1.00 2.03 H new ATOM 0 HZ2 LYS A 28 -11.307 14.806 6.468 1.00 2.03 H new ATOM 0 HZ3 LYS A 28 -11.608 13.338 7.266 1.00 2.03 H new ATOM 1079 N LEU A 29 -11.435 10.842 1.299 1.00 0.36 N ATOM 1080 CA LEU A 29 -12.507 10.126 0.608 1.00 0.32 C ATOM 1081 C LEU A 29 -13.561 9.641 1.592 1.00 0.34 C ATOM 1082 O LEU A 29 -13.264 8.862 2.498 1.00 0.40 O ATOM 1083 CB LEU A 29 -11.979 8.913 -0.172 1.00 0.30 C ATOM 1084 CG LEU A 29 -10.930 9.198 -1.248 1.00 0.30 C ATOM 1085 CD1 LEU A 29 -9.535 9.232 -0.643 1.00 0.32 C ATOM 1086 CD2 LEU A 29 -11.010 8.158 -2.355 1.00 0.33 C ATOM 0 H LEU A 29 -10.827 10.250 1.865 1.00 0.36 H new ATOM 0 HA LEU A 29 -12.947 10.836 -0.093 1.00 0.32 H new ATOM 0 HB2 LEU A 29 -11.553 8.208 0.541 1.00 0.30 H new ATOM 0 HB3 LEU A 29 -12.826 8.416 -0.645 1.00 0.30 H new ATOM 0 HG LEU A 29 -11.137 10.177 -1.679 1.00 0.30 H new ATOM 0 HD11 LEU A 29 -8.804 9.436 -1.425 1.00 0.32 H new ATOM 0 HD12 LEU A 29 -9.485 10.015 0.113 1.00 0.32 H new ATOM 0 HD13 LEU A 29 -9.314 8.269 -0.183 1.00 0.32 H new ATOM 0 HD21 LEU A 29 -10.257 8.375 -3.113 1.00 0.33 H new ATOM 0 HD22 LEU A 29 -10.830 7.167 -1.937 1.00 0.33 H new ATOM 0 HD23 LEU A 29 -12.001 8.185 -2.809 1.00 0.33 H new ATOM 1098 N ASN A 30 -14.789 10.101 1.414 1.00 0.35 N ATOM 1099 CA ASN A 30 -15.906 9.602 2.206 1.00 0.35 C ATOM 1100 C ASN A 30 -16.429 8.307 1.593 1.00 0.31 C ATOM 1101 O ASN A 30 -15.859 7.806 0.618 1.00 0.29 O ATOM 1102 CB ASN A 30 -17.032 10.642 2.288 1.00 0.41 C ATOM 1103 CG ASN A 30 -17.697 10.893 0.949 1.00 0.62 C ATOM 1104 OD1 ASN A 30 -18.672 10.233 0.590 1.00 1.20 O ATOM 1105 ND2 ASN A 30 -17.183 11.856 0.208 1.00 0.63 N ATOM 0 H ASN A 30 -15.039 10.816 0.731 1.00 0.35 H new ATOM 0 HA ASN A 30 -15.554 9.408 3.219 1.00 0.35 H new ATOM 0 HB2 ASN A 30 -17.782 10.304 3.003 1.00 0.41 H new ATOM 0 HB3 ASN A 30 -16.628 11.580 2.669 1.00 0.41 H new ATOM 0 HD21 ASN A 30 -17.595 12.077 -0.699 1.00 0.63 H new ATOM 0 HD22 ASN A 30 -16.374 12.380 0.542 1.00 0.63 H new ATOM 1112 N LYS A 31 -17.505 7.775 2.167 1.00 0.32 N ATOM 1113 CA LYS A 31 -18.115 6.527 1.695 1.00 0.31 C ATOM 1114 C LYS A 31 -18.309 6.512 0.179 1.00 0.30 C ATOM 1115 O LYS A 31 -17.942 5.546 -0.490 1.00 0.31 O ATOM 1116 CB LYS A 31 -19.471 6.309 2.366 1.00 0.35 C ATOM 1117 CG LYS A 31 -19.403 6.100 3.870 1.00 0.45 C ATOM 1118 CD LYS A 31 -20.790 5.889 4.451 1.00 0.56 C ATOM 1119 CE LYS A 31 -20.741 5.633 5.946 1.00 1.22 C ATOM 1120 NZ LYS A 31 -22.100 5.433 6.515 1.00 1.70 N ATOM 0 H LYS A 31 -17.979 8.191 2.968 1.00 0.32 H new ATOM 0 HA LYS A 31 -17.427 5.724 1.961 1.00 0.31 H new ATOM 0 HB2 LYS A 31 -20.107 7.170 2.160 1.00 0.35 H new ATOM 0 HB3 LYS A 31 -19.951 5.442 1.913 1.00 0.35 H new ATOM 0 HG2 LYS A 31 -18.776 5.237 4.093 1.00 0.45 H new ATOM 0 HG3 LYS A 31 -18.935 6.965 4.341 1.00 0.45 H new ATOM 0 HD2 LYS A 31 -21.405 6.767 4.252 1.00 0.56 H new ATOM 0 HD3 LYS A 31 -21.268 5.046 3.953 1.00 0.56 H new ATOM 0 HE2 LYS A 31 -20.130 4.752 6.144 1.00 1.22 H new ATOM 0 HE3 LYS A 31 -20.258 6.474 6.444 1.00 1.22 H new ATOM 0 HZ1 LYS A 31 -22.026 5.261 7.538 1.00 1.70 H new ATOM 0 HZ2 LYS A 31 -22.675 6.283 6.348 1.00 1.70 H new ATOM 0 HZ3 LYS A 31 -22.551 4.615 6.058 1.00 1.70 H new ATOM 1134 N SER A 32 -18.873 7.587 -0.358 1.00 0.32 N ATOM 1135 CA SER A 32 -19.222 7.641 -1.771 1.00 0.34 C ATOM 1136 C SER A 32 -17.976 7.580 -2.652 1.00 0.31 C ATOM 1137 O SER A 32 -17.952 6.858 -3.652 1.00 0.34 O ATOM 1138 CB SER A 32 -20.023 8.913 -2.071 1.00 0.43 C ATOM 1139 OG SER A 32 -20.509 8.918 -3.406 1.00 1.29 O ATOM 0 H SER A 32 -19.098 8.433 0.165 1.00 0.32 H new ATOM 0 HA SER A 32 -19.838 6.771 -1.999 1.00 0.34 H new ATOM 0 HB2 SER A 32 -20.860 8.989 -1.377 1.00 0.43 H new ATOM 0 HB3 SER A 32 -19.393 9.788 -1.908 1.00 0.43 H new ATOM 0 HG SER A 32 -21.017 9.741 -3.566 1.00 1.29 H new ATOM 1145 N GLU A 33 -16.932 8.304 -2.260 1.00 0.30 N ATOM 1146 CA GLU A 33 -15.739 8.412 -3.084 1.00 0.31 C ATOM 1147 C GLU A 33 -15.014 7.080 -3.103 1.00 0.26 C ATOM 1148 O GLU A 33 -14.535 6.625 -4.142 1.00 0.27 O ATOM 1149 CB GLU A 33 -14.798 9.500 -2.559 1.00 0.37 C ATOM 1150 CG GLU A 33 -15.475 10.829 -2.236 1.00 0.51 C ATOM 1151 CD GLU A 33 -16.656 11.155 -3.135 1.00 0.88 C ATOM 1152 OE1 GLU A 33 -16.494 11.209 -4.371 1.00 1.68 O ATOM 1153 OE2 GLU A 33 -17.769 11.349 -2.597 1.00 1.46 O ATOM 0 H GLU A 33 -16.890 8.821 -1.382 1.00 0.30 H new ATOM 0 HA GLU A 33 -16.045 8.684 -4.094 1.00 0.31 H new ATOM 0 HB2 GLU A 33 -14.305 9.131 -1.660 1.00 0.37 H new ATOM 0 HB3 GLU A 33 -14.019 9.676 -3.301 1.00 0.37 H new ATOM 0 HG2 GLU A 33 -15.814 10.810 -1.200 1.00 0.51 H new ATOM 0 HG3 GLU A 33 -14.739 11.629 -2.316 1.00 0.51 H new ATOM 1160 N LEU A 34 -14.956 6.454 -1.936 1.00 0.23 N ATOM 1161 CA LEU A 34 -14.338 5.150 -1.799 1.00 0.20 C ATOM 1162 C LEU A 34 -15.118 4.094 -2.552 1.00 0.20 C ATOM 1163 O LEU A 34 -14.532 3.263 -3.242 1.00 0.23 O ATOM 1164 CB LEU A 34 -14.229 4.762 -0.332 1.00 0.18 C ATOM 1165 CG LEU A 34 -12.965 5.238 0.366 1.00 0.18 C ATOM 1166 CD1 LEU A 34 -13.080 5.003 1.853 1.00 0.21 C ATOM 1167 CD2 LEU A 34 -11.757 4.518 -0.202 1.00 0.18 C ATOM 0 H LEU A 34 -15.333 6.834 -1.068 1.00 0.23 H new ATOM 0 HA LEU A 34 -13.337 5.211 -2.227 1.00 0.20 H new ATOM 0 HB2 LEU A 34 -15.092 5.163 0.199 1.00 0.18 H new ATOM 0 HB3 LEU A 34 -14.282 3.676 -0.254 1.00 0.18 H new ATOM 0 HG LEU A 34 -12.839 6.307 0.195 1.00 0.18 H new ATOM 0 HD11 LEU A 34 -12.171 5.346 2.347 1.00 0.21 H new ATOM 0 HD12 LEU A 34 -13.935 5.554 2.243 1.00 0.21 H new ATOM 0 HD13 LEU A 34 -13.217 3.939 2.044 1.00 0.21 H new ATOM 0 HD21 LEU A 34 -10.856 4.865 0.304 1.00 0.18 H new ATOM 0 HD22 LEU A 34 -11.868 3.444 -0.049 1.00 0.18 H new ATOM 0 HD23 LEU A 34 -11.678 4.726 -1.269 1.00 0.18 H new ATOM 1179 N LYS A 35 -16.439 4.124 -2.428 1.00 0.23 N ATOM 1180 CA LYS A 35 -17.263 3.131 -3.089 1.00 0.29 C ATOM 1181 C LYS A 35 -17.020 3.156 -4.583 1.00 0.25 C ATOM 1182 O LYS A 35 -16.753 2.120 -5.177 1.00 0.27 O ATOM 1183 CB LYS A 35 -18.748 3.319 -2.783 1.00 0.42 C ATOM 1184 CG LYS A 35 -19.587 2.129 -3.223 1.00 0.60 C ATOM 1185 CD LYS A 35 -20.979 2.152 -2.621 1.00 0.71 C ATOM 1186 CE LYS A 35 -21.826 3.252 -3.221 1.00 0.53 C ATOM 1187 NZ LYS A 35 -23.192 3.275 -2.640 1.00 0.89 N ATOM 0 H LYS A 35 -16.953 4.816 -1.883 1.00 0.23 H new ATOM 0 HA LYS A 35 -16.975 2.155 -2.698 1.00 0.29 H new ATOM 0 HB2 LYS A 35 -18.878 3.476 -1.712 1.00 0.42 H new ATOM 0 HB3 LYS A 35 -19.108 4.218 -3.283 1.00 0.42 H new ATOM 0 HG2 LYS A 35 -19.664 2.124 -4.310 1.00 0.60 H new ATOM 0 HG3 LYS A 35 -19.084 1.206 -2.934 1.00 0.60 H new ATOM 0 HD2 LYS A 35 -21.463 1.189 -2.784 1.00 0.71 H new ATOM 0 HD3 LYS A 35 -20.908 2.294 -1.543 1.00 0.71 H new ATOM 0 HE2 LYS A 35 -21.343 4.215 -3.053 1.00 0.53 H new ATOM 0 HE3 LYS A 35 -21.892 3.112 -4.300 1.00 0.53 H new ATOM 0 HZ1 LYS A 35 -23.805 3.884 -3.219 1.00 0.89 H new ATOM 0 HZ2 LYS A 35 -23.579 2.310 -2.624 1.00 0.89 H new ATOM 0 HZ3 LYS A 35 -23.150 3.648 -1.670 1.00 0.89 H new ATOM 1201 N GLU A 36 -17.072 4.339 -5.186 1.00 0.25 N ATOM 1202 CA GLU A 36 -16.773 4.468 -6.606 1.00 0.28 C ATOM 1203 C GLU A 36 -15.386 3.930 -6.913 1.00 0.28 C ATOM 1204 O GLU A 36 -15.218 3.132 -7.832 1.00 0.34 O ATOM 1205 CB GLU A 36 -16.879 5.914 -7.069 1.00 0.32 C ATOM 1206 CG GLU A 36 -18.279 6.313 -7.473 1.00 0.66 C ATOM 1207 CD GLU A 36 -18.347 7.711 -8.039 1.00 0.77 C ATOM 1208 OE1 GLU A 36 -17.768 8.636 -7.437 1.00 1.49 O ATOM 1209 OE2 GLU A 36 -18.966 7.886 -9.108 1.00 1.28 O ATOM 0 H GLU A 36 -17.316 5.213 -4.719 1.00 0.25 H new ATOM 0 HA GLU A 36 -17.513 3.880 -7.149 1.00 0.28 H new ATOM 0 HB2 GLU A 36 -16.539 6.570 -6.268 1.00 0.32 H new ATOM 0 HB3 GLU A 36 -16.207 6.068 -7.914 1.00 0.32 H new ATOM 0 HG2 GLU A 36 -18.654 5.607 -8.214 1.00 0.66 H new ATOM 0 HG3 GLU A 36 -18.936 6.244 -6.606 1.00 0.66 H new ATOM 1216 N LEU A 37 -14.411 4.353 -6.120 1.00 0.25 N ATOM 1217 CA LEU A 37 -13.032 3.897 -6.263 1.00 0.27 C ATOM 1218 C LEU A 37 -12.977 2.377 -6.358 1.00 0.23 C ATOM 1219 O LEU A 37 -12.448 1.822 -7.325 1.00 0.24 O ATOM 1220 CB LEU A 37 -12.214 4.397 -5.071 1.00 0.32 C ATOM 1221 CG LEU A 37 -10.699 4.330 -5.228 1.00 0.40 C ATOM 1222 CD1 LEU A 37 -10.081 5.649 -4.804 1.00 0.33 C ATOM 1223 CD2 LEU A 37 -10.126 3.190 -4.401 1.00 0.74 C ATOM 0 H LEU A 37 -14.551 5.020 -5.361 1.00 0.25 H new ATOM 0 HA LEU A 37 -12.610 4.301 -7.183 1.00 0.27 H new ATOM 0 HB2 LEU A 37 -12.494 5.431 -4.871 1.00 0.32 H new ATOM 0 HB3 LEU A 37 -12.495 3.816 -4.193 1.00 0.32 H new ATOM 0 HG LEU A 37 -10.462 4.145 -6.276 1.00 0.40 H new ATOM 0 HD11 LEU A 37 -8.998 5.597 -4.918 1.00 0.33 H new ATOM 0 HD12 LEU A 37 -10.473 6.452 -5.428 1.00 0.33 H new ATOM 0 HD13 LEU A 37 -10.327 5.847 -3.761 1.00 0.33 H new ATOM 0 HD21 LEU A 37 -9.044 3.158 -4.526 1.00 0.74 H new ATOM 0 HD22 LEU A 37 -10.365 3.347 -3.349 1.00 0.74 H new ATOM 0 HD23 LEU A 37 -10.558 2.246 -4.734 1.00 0.74 H new ATOM 1235 N LEU A 38 -13.570 1.713 -5.380 1.00 0.20 N ATOM 1236 CA LEU A 38 -13.576 0.262 -5.344 1.00 0.20 C ATOM 1237 C LEU A 38 -14.459 -0.333 -6.442 1.00 0.22 C ATOM 1238 O LEU A 38 -14.075 -1.295 -7.088 1.00 0.24 O ATOM 1239 CB LEU A 38 -14.009 -0.243 -3.964 1.00 0.19 C ATOM 1240 CG LEU A 38 -12.935 -0.159 -2.874 1.00 0.18 C ATOM 1241 CD1 LEU A 38 -13.288 0.892 -1.837 1.00 0.19 C ATOM 1242 CD2 LEU A 38 -12.740 -1.516 -2.214 1.00 0.21 C ATOM 0 H LEU A 38 -14.054 2.157 -4.600 1.00 0.20 H new ATOM 0 HA LEU A 38 -12.556 -0.073 -5.532 1.00 0.20 H new ATOM 0 HB2 LEU A 38 -14.878 0.330 -3.641 1.00 0.19 H new ATOM 0 HB3 LEU A 38 -14.329 -1.281 -4.058 1.00 0.19 H new ATOM 0 HG LEU A 38 -11.998 0.137 -3.346 1.00 0.18 H new ATOM 0 HD11 LEU A 38 -12.508 0.929 -1.076 1.00 0.19 H new ATOM 0 HD12 LEU A 38 -13.371 1.866 -2.320 1.00 0.19 H new ATOM 0 HD13 LEU A 38 -14.239 0.637 -1.369 1.00 0.19 H new ATOM 0 HD21 LEU A 38 -11.974 -1.439 -1.442 1.00 0.21 H new ATOM 0 HD22 LEU A 38 -13.678 -1.839 -1.763 1.00 0.21 H new ATOM 0 HD23 LEU A 38 -12.428 -2.244 -2.963 1.00 0.21 H new ATOM 1254 N THR A 39 -15.631 0.243 -6.670 1.00 0.23 N ATOM 1255 CA THR A 39 -16.558 -0.294 -7.679 1.00 0.26 C ATOM 1256 C THR A 39 -15.929 -0.278 -9.066 1.00 0.27 C ATOM 1257 O THR A 39 -16.184 -1.157 -9.891 1.00 0.30 O ATOM 1258 CB THR A 39 -17.897 0.479 -7.746 1.00 0.29 C ATOM 1259 OG1 THR A 39 -17.661 1.874 -7.989 1.00 0.33 O ATOM 1260 CG2 THR A 39 -18.700 0.308 -6.468 1.00 0.30 C ATOM 0 H THR A 39 -15.968 1.072 -6.181 1.00 0.23 H new ATOM 0 HA THR A 39 -16.766 -1.317 -7.365 1.00 0.26 H new ATOM 0 HB THR A 39 -18.475 0.064 -8.572 1.00 0.29 H new ATOM 0 HG1 THR A 39 -16.697 2.050 -7.977 1.00 0.33 H new ATOM 0 HG21 THR A 39 -19.634 0.864 -6.548 1.00 0.30 H new ATOM 0 HG22 THR A 39 -18.918 -0.749 -6.314 1.00 0.30 H new ATOM 0 HG23 THR A 39 -18.124 0.686 -5.623 1.00 0.30 H new ATOM 1268 N ARG A 40 -15.104 0.724 -9.307 1.00 0.27 N ATOM 1269 CA ARG A 40 -14.487 0.910 -10.603 1.00 0.30 C ATOM 1270 C ARG A 40 -13.215 0.081 -10.732 1.00 0.29 C ATOM 1271 O ARG A 40 -13.113 -0.796 -11.593 1.00 0.33 O ATOM 1272 CB ARG A 40 -14.156 2.388 -10.819 1.00 0.34 C ATOM 1273 CG ARG A 40 -15.370 3.306 -10.832 1.00 0.36 C ATOM 1274 CD ARG A 40 -16.342 2.934 -11.933 1.00 0.47 C ATOM 1275 NE ARG A 40 -15.666 2.765 -13.217 1.00 0.67 N ATOM 1276 CZ ARG A 40 -16.231 2.242 -14.300 1.00 0.90 C ATOM 1277 NH1 ARG A 40 -17.508 1.878 -14.288 1.00 1.24 N ATOM 1278 NH2 ARG A 40 -15.512 2.095 -15.405 1.00 1.09 N ATOM 0 H ARG A 40 -14.845 1.426 -8.614 1.00 0.27 H new ATOM 0 HA ARG A 40 -15.195 0.577 -11.362 1.00 0.30 H new ATOM 0 HB2 ARG A 40 -13.476 2.715 -10.032 1.00 0.34 H new ATOM 0 HB3 ARG A 40 -13.624 2.495 -11.764 1.00 0.34 H new ATOM 0 HG2 ARG A 40 -15.875 3.255 -9.868 1.00 0.36 H new ATOM 0 HG3 ARG A 40 -15.045 4.338 -10.967 1.00 0.36 H new ATOM 0 HD2 ARG A 40 -16.856 2.010 -11.668 1.00 0.47 H new ATOM 0 HD3 ARG A 40 -17.104 3.708 -12.022 1.00 0.47 H new ATOM 0 HE ARG A 40 -14.695 3.069 -13.287 1.00 0.67 H new ATOM 0 HH11 ARG A 40 -18.065 1.999 -13.442 1.00 1.24 H new ATOM 0 HH12 ARG A 40 -17.932 1.478 -15.125 1.00 1.24 H new ATOM 0 HH21 ARG A 40 -14.533 2.383 -15.419 1.00 1.09 H new ATOM 0 HH22 ARG A 40 -15.938 1.694 -16.241 1.00 1.09 H new ATOM 1292 N GLU A 41 -12.248 0.366 -9.874 1.00 0.29 N ATOM 1293 CA GLU A 41 -10.918 -0.200 -10.019 1.00 0.32 C ATOM 1294 C GLU A 41 -10.647 -1.368 -9.069 1.00 0.35 C ATOM 1295 O GLU A 41 -9.647 -2.055 -9.216 1.00 0.46 O ATOM 1296 CB GLU A 41 -9.876 0.907 -9.857 1.00 0.38 C ATOM 1297 CG GLU A 41 -9.835 1.839 -11.057 1.00 0.47 C ATOM 1298 CD GLU A 41 -9.029 3.102 -10.828 1.00 0.83 C ATOM 1299 OE1 GLU A 41 -7.809 3.000 -10.587 1.00 1.54 O ATOM 1300 OE2 GLU A 41 -9.609 4.203 -10.928 1.00 1.60 O ATOM 0 H GLU A 41 -12.360 0.985 -9.071 1.00 0.29 H new ATOM 0 HA GLU A 41 -10.849 -0.624 -11.021 1.00 0.32 H new ATOM 0 HB2 GLU A 41 -10.098 1.484 -8.959 1.00 0.38 H new ATOM 0 HB3 GLU A 41 -8.893 0.459 -9.713 1.00 0.38 H new ATOM 0 HG2 GLU A 41 -9.416 1.302 -11.908 1.00 0.47 H new ATOM 0 HG3 GLU A 41 -10.855 2.115 -11.325 1.00 0.47 H new ATOM 1307 N LEU A 42 -11.529 -1.618 -8.110 1.00 0.28 N ATOM 1308 CA LEU A 42 -11.330 -2.744 -7.187 1.00 0.29 C ATOM 1309 C LEU A 42 -12.554 -3.677 -7.148 1.00 0.28 C ATOM 1310 O LEU A 42 -12.991 -4.066 -6.065 1.00 0.26 O ATOM 1311 CB LEU A 42 -11.049 -2.242 -5.758 1.00 0.27 C ATOM 1312 CG LEU A 42 -9.843 -1.316 -5.580 1.00 0.27 C ATOM 1313 CD1 LEU A 42 -10.178 0.115 -5.990 1.00 0.27 C ATOM 1314 CD2 LEU A 42 -9.357 -1.362 -4.139 1.00 0.31 C ATOM 0 H LEU A 42 -12.375 -1.073 -7.947 1.00 0.28 H new ATOM 0 HA LEU A 42 -10.471 -3.302 -7.560 1.00 0.29 H new ATOM 0 HB2 LEU A 42 -11.936 -1.719 -5.401 1.00 0.27 H new ATOM 0 HB3 LEU A 42 -10.910 -3.110 -5.114 1.00 0.27 H new ATOM 0 HG LEU A 42 -9.044 -1.668 -6.233 1.00 0.27 H new ATOM 0 HD11 LEU A 42 -9.301 0.748 -5.852 1.00 0.27 H new ATOM 0 HD12 LEU A 42 -10.477 0.133 -7.038 1.00 0.27 H new ATOM 0 HD13 LEU A 42 -10.996 0.488 -5.373 1.00 0.27 H new ATOM 0 HD21 LEU A 42 -8.499 -0.700 -4.023 1.00 0.31 H new ATOM 0 HD22 LEU A 42 -10.158 -1.038 -3.474 1.00 0.31 H new ATOM 0 HD23 LEU A 42 -9.066 -2.381 -3.886 1.00 0.31 H new ATOM 1326 N PRO A 43 -13.105 -4.092 -8.310 1.00 0.32 N ATOM 1327 CA PRO A 43 -14.356 -4.857 -8.347 1.00 0.34 C ATOM 1328 C PRO A 43 -14.181 -6.261 -7.793 1.00 0.35 C ATOM 1329 O PRO A 43 -15.092 -6.824 -7.178 1.00 0.38 O ATOM 1330 CB PRO A 43 -14.718 -4.918 -9.836 1.00 0.43 C ATOM 1331 CG PRO A 43 -13.794 -3.962 -10.514 1.00 0.52 C ATOM 1332 CD PRO A 43 -12.564 -3.899 -9.660 1.00 0.36 C ATOM 0 HA PRO A 43 -15.128 -4.391 -7.734 1.00 0.34 H new ATOM 0 HB2 PRO A 43 -14.594 -5.927 -10.228 1.00 0.43 H new ATOM 0 HB3 PRO A 43 -15.759 -4.638 -9.998 1.00 0.43 H new ATOM 0 HG2 PRO A 43 -13.552 -4.301 -11.521 1.00 0.52 H new ATOM 0 HG3 PRO A 43 -14.253 -2.978 -10.610 1.00 0.52 H new ATOM 0 HD2 PRO A 43 -11.846 -4.675 -9.924 1.00 0.36 H new ATOM 0 HD3 PRO A 43 -12.050 -2.943 -9.758 1.00 0.36 H new ATOM 1340 N SER A 44 -12.992 -6.809 -7.993 1.00 0.37 N ATOM 1341 CA SER A 44 -12.663 -8.135 -7.505 1.00 0.41 C ATOM 1342 C SER A 44 -12.658 -8.146 -5.978 1.00 0.37 C ATOM 1343 O SER A 44 -12.839 -9.188 -5.349 1.00 0.42 O ATOM 1344 CB SER A 44 -11.307 -8.556 -8.077 1.00 0.48 C ATOM 1345 OG SER A 44 -10.384 -7.477 -8.033 1.00 1.09 O ATOM 0 H SER A 44 -12.233 -6.348 -8.496 1.00 0.37 H new ATOM 0 HA SER A 44 -13.415 -8.852 -7.834 1.00 0.41 H new ATOM 0 HB2 SER A 44 -10.914 -9.400 -7.510 1.00 0.48 H new ATOM 0 HB3 SER A 44 -11.430 -8.893 -9.106 1.00 0.48 H new ATOM 0 HG SER A 44 -9.524 -7.767 -8.401 1.00 1.09 H new ATOM 1351 N PHE A 45 -12.508 -6.963 -5.393 1.00 0.33 N ATOM 1352 CA PHE A 45 -12.467 -6.814 -3.949 1.00 0.34 C ATOM 1353 C PHE A 45 -13.814 -6.337 -3.411 1.00 0.36 C ATOM 1354 O PHE A 45 -13.916 -5.906 -2.266 1.00 0.40 O ATOM 1355 CB PHE A 45 -11.360 -5.837 -3.553 1.00 0.33 C ATOM 1356 CG PHE A 45 -10.015 -6.219 -4.100 1.00 0.35 C ATOM 1357 CD1 PHE A 45 -9.349 -7.333 -3.618 1.00 1.31 C ATOM 1358 CD2 PHE A 45 -9.423 -5.469 -5.103 1.00 1.17 C ATOM 1359 CE1 PHE A 45 -8.115 -7.692 -4.125 1.00 1.36 C ATOM 1360 CE2 PHE A 45 -8.190 -5.822 -5.613 1.00 1.15 C ATOM 1361 CZ PHE A 45 -7.535 -6.935 -5.124 1.00 0.46 C ATOM 0 H PHE A 45 -12.412 -6.087 -5.906 1.00 0.33 H new ATOM 0 HA PHE A 45 -12.253 -7.788 -3.510 1.00 0.34 H new ATOM 0 HB2 PHE A 45 -11.620 -4.840 -3.907 1.00 0.33 H new ATOM 0 HB3 PHE A 45 -11.302 -5.784 -2.466 1.00 0.33 H new ATOM 0 HD1 PHE A 45 -9.799 -7.928 -2.837 1.00 1.31 H new ATOM 0 HD2 PHE A 45 -9.932 -4.599 -5.490 1.00 1.17 H new ATOM 0 HE1 PHE A 45 -7.605 -8.563 -3.741 1.00 1.36 H new ATOM 0 HE2 PHE A 45 -7.738 -5.228 -6.394 1.00 1.15 H new ATOM 0 HZ PHE A 45 -6.570 -7.213 -5.522 1.00 0.46 H new ATOM 1371 N LEU A 46 -14.840 -6.373 -4.252 1.00 0.36 N ATOM 1372 CA LEU A 46 -16.187 -6.034 -3.808 1.00 0.40 C ATOM 1373 C LEU A 46 -17.156 -7.184 -4.016 1.00 0.55 C ATOM 1374 O LEU A 46 -18.168 -7.287 -3.321 1.00 0.70 O ATOM 1375 CB LEU A 46 -16.714 -4.804 -4.535 1.00 0.35 C ATOM 1376 CG LEU A 46 -15.914 -3.530 -4.306 1.00 0.32 C ATOM 1377 CD1 LEU A 46 -16.613 -2.359 -4.965 1.00 0.34 C ATOM 1378 CD2 LEU A 46 -15.730 -3.277 -2.818 1.00 0.30 C ATOM 0 H LEU A 46 -14.767 -6.631 -5.236 1.00 0.36 H new ATOM 0 HA LEU A 46 -16.117 -5.822 -2.741 1.00 0.40 H new ATOM 0 HB2 LEU A 46 -16.736 -5.014 -5.604 1.00 0.35 H new ATOM 0 HB3 LEU A 46 -17.744 -4.630 -4.223 1.00 0.35 H new ATOM 0 HG LEU A 46 -14.927 -3.647 -4.754 1.00 0.32 H new ATOM 0 HD11 LEU A 46 -16.036 -1.450 -4.798 1.00 0.34 H new ATOM 0 HD12 LEU A 46 -16.699 -2.542 -6.036 1.00 0.34 H new ATOM 0 HD13 LEU A 46 -17.608 -2.241 -4.536 1.00 0.34 H new ATOM 0 HD21 LEU A 46 -15.156 -2.362 -2.673 1.00 0.30 H new ATOM 0 HD22 LEU A 46 -16.706 -3.172 -2.343 1.00 0.30 H new ATOM 0 HD23 LEU A 46 -15.197 -4.115 -2.370 1.00 0.30 H new ATOM 1390 N GLY A 47 -16.864 -8.028 -4.992 1.00 0.64 N ATOM 1391 CA GLY A 47 -17.743 -9.139 -5.290 1.00 0.82 C ATOM 1392 C GLY A 47 -18.981 -8.698 -6.046 1.00 0.87 C ATOM 1393 O GLY A 47 -19.961 -9.437 -6.127 1.00 1.23 O ATOM 0 H GLY A 47 -16.035 -7.964 -5.583 1.00 0.64 H new ATOM 0 HA2 GLY A 47 -17.203 -9.880 -5.880 1.00 0.82 H new ATOM 0 HA3 GLY A 47 -18.040 -9.626 -4.361 1.00 0.82 H new ATOM 1397 N LYS A 48 -18.941 -7.467 -6.566 1.00 0.79 N ATOM 1398 CA LYS A 48 -20.009 -6.914 -7.413 1.00 0.95 C ATOM 1399 C LYS A 48 -21.307 -6.646 -6.644 1.00 0.73 C ATOM 1400 O LYS A 48 -22.261 -6.109 -7.202 1.00 0.97 O ATOM 1401 CB LYS A 48 -20.298 -7.851 -8.589 1.00 1.43 C ATOM 1402 CG LYS A 48 -19.149 -7.982 -9.577 1.00 2.17 C ATOM 1403 CD LYS A 48 -18.892 -6.680 -10.317 1.00 2.32 C ATOM 1404 CE LYS A 48 -17.754 -6.824 -11.316 1.00 2.88 C ATOM 1405 NZ LYS A 48 -17.543 -5.582 -12.105 1.00 3.51 N ATOM 0 H LYS A 48 -18.166 -6.822 -6.412 1.00 0.79 H new ATOM 0 HA LYS A 48 -19.643 -5.954 -7.778 1.00 0.95 H new ATOM 0 HB2 LYS A 48 -20.543 -8.839 -8.200 1.00 1.43 H new ATOM 0 HB3 LYS A 48 -21.179 -7.490 -9.119 1.00 1.43 H new ATOM 0 HG2 LYS A 48 -18.246 -8.283 -9.047 1.00 2.17 H new ATOM 0 HG3 LYS A 48 -19.375 -8.770 -10.295 1.00 2.17 H new ATOM 0 HD2 LYS A 48 -19.798 -6.371 -10.838 1.00 2.32 H new ATOM 0 HD3 LYS A 48 -18.652 -5.894 -9.601 1.00 2.32 H new ATOM 0 HE2 LYS A 48 -16.836 -7.076 -10.785 1.00 2.88 H new ATOM 0 HE3 LYS A 48 -17.969 -7.651 -11.993 1.00 2.88 H new ATOM 0 HZ1 LYS A 48 -16.737 -5.713 -12.749 1.00 3.51 H new ATOM 0 HZ2 LYS A 48 -18.398 -5.373 -12.658 1.00 3.51 H new ATOM 0 HZ3 LYS A 48 -17.346 -4.790 -11.460 1.00 3.51 H new ATOM 1419 N ARG A 49 -21.343 -7.008 -5.373 1.00 0.73 N ATOM 1420 CA ARG A 49 -22.551 -6.854 -4.565 1.00 0.70 C ATOM 1421 C ARG A 49 -22.313 -5.906 -3.402 1.00 0.61 C ATOM 1422 O ARG A 49 -22.840 -6.094 -2.304 1.00 0.75 O ATOM 1423 CB ARG A 49 -23.025 -8.221 -4.061 1.00 0.97 C ATOM 1424 CG ARG A 49 -21.997 -8.959 -3.216 1.00 1.10 C ATOM 1425 CD ARG A 49 -22.504 -10.326 -2.790 1.00 1.54 C ATOM 1426 NE ARG A 49 -22.714 -11.211 -3.933 1.00 2.02 N ATOM 1427 CZ ARG A 49 -23.217 -12.439 -3.846 1.00 2.68 C ATOM 1428 NH1 ARG A 49 -23.560 -12.942 -2.668 1.00 3.06 N ATOM 1429 NH2 ARG A 49 -23.378 -13.166 -4.944 1.00 3.24 N ATOM 0 H ARG A 49 -20.551 -7.412 -4.873 1.00 0.73 H new ATOM 0 HA ARG A 49 -23.331 -6.422 -5.192 1.00 0.70 H new ATOM 0 HB2 ARG A 49 -23.933 -8.085 -3.474 1.00 0.97 H new ATOM 0 HB3 ARG A 49 -23.289 -8.841 -4.918 1.00 0.97 H new ATOM 0 HG2 ARG A 49 -21.073 -9.073 -3.783 1.00 1.10 H new ATOM 0 HG3 ARG A 49 -21.758 -8.367 -2.333 1.00 1.10 H new ATOM 0 HD2 ARG A 49 -21.788 -10.781 -2.105 1.00 1.54 H new ATOM 0 HD3 ARG A 49 -23.440 -10.212 -2.243 1.00 1.54 H new ATOM 0 HE ARG A 49 -22.458 -10.865 -4.858 1.00 2.02 H new ATOM 0 HH11 ARG A 49 -23.439 -12.386 -1.821 1.00 3.06 H new ATOM 0 HH12 ARG A 49 -23.945 -13.885 -2.609 1.00 3.06 H new ATOM 0 HH21 ARG A 49 -23.116 -12.783 -5.852 1.00 3.24 H new ATOM 0 HH22 ARG A 49 -23.764 -14.108 -4.880 1.00 3.24 H new ATOM 1443 N THR A 50 -21.549 -4.864 -3.657 1.00 0.55 N ATOM 1444 CA THR A 50 -21.192 -3.926 -2.619 1.00 0.50 C ATOM 1445 C THR A 50 -22.147 -2.753 -2.522 1.00 0.50 C ATOM 1446 O THR A 50 -22.247 -1.917 -3.425 1.00 0.56 O ATOM 1447 CB THR A 50 -19.776 -3.408 -2.818 1.00 0.54 C ATOM 1448 OG1 THR A 50 -19.446 -3.453 -4.213 1.00 0.91 O ATOM 1449 CG2 THR A 50 -18.806 -4.242 -2.004 1.00 0.51 C ATOM 0 H THR A 50 -21.164 -4.647 -4.576 1.00 0.55 H new ATOM 0 HA THR A 50 -21.256 -4.480 -1.682 1.00 0.50 H new ATOM 0 HB THR A 50 -19.707 -2.375 -2.476 1.00 0.54 H new ATOM 0 HG1 THR A 50 -19.701 -2.607 -4.637 1.00 0.91 H new ATOM 0 HG21 THR A 50 -17.793 -3.867 -2.150 1.00 0.51 H new ATOM 0 HG22 THR A 50 -19.068 -4.178 -0.948 1.00 0.51 H new ATOM 0 HG23 THR A 50 -18.859 -5.281 -2.328 1.00 0.51 H new ATOM 1457 N ASP A 51 -22.839 -2.717 -1.410 1.00 0.49 N ATOM 1458 CA ASP A 51 -23.663 -1.584 -1.039 1.00 0.51 C ATOM 1459 C ASP A 51 -23.023 -0.882 0.145 1.00 0.44 C ATOM 1460 O ASP A 51 -21.876 -1.173 0.496 1.00 0.43 O ATOM 1461 CB ASP A 51 -25.082 -2.029 -0.671 1.00 0.60 C ATOM 1462 CG ASP A 51 -25.957 -2.268 -1.883 1.00 1.15 C ATOM 1463 OD1 ASP A 51 -26.394 -1.277 -2.503 1.00 1.72 O ATOM 1464 OD2 ASP A 51 -26.232 -3.441 -2.208 1.00 1.94 O ATOM 0 H ASP A 51 -22.849 -3.477 -0.729 1.00 0.49 H new ATOM 0 HA ASP A 51 -23.734 -0.906 -1.889 1.00 0.51 H new ATOM 0 HB2 ASP A 51 -25.029 -2.944 -0.081 1.00 0.60 H new ATOM 0 HB3 ASP A 51 -25.543 -1.269 -0.040 1.00 0.60 H new ATOM 1469 N GLU A 52 -23.762 0.024 0.767 1.00 0.47 N ATOM 1470 CA GLU A 52 -23.298 0.683 1.980 1.00 0.46 C ATOM 1471 C GLU A 52 -23.053 -0.345 3.086 1.00 0.46 C ATOM 1472 O GLU A 52 -22.304 -0.091 4.027 1.00 0.46 O ATOM 1473 CB GLU A 52 -24.321 1.720 2.446 1.00 0.49 C ATOM 1474 CG GLU A 52 -24.583 2.824 1.433 1.00 0.52 C ATOM 1475 CD GLU A 52 -23.348 3.643 1.123 1.00 0.71 C ATOM 1476 OE1 GLU A 52 -22.857 4.349 2.031 1.00 1.44 O ATOM 1477 OE2 GLU A 52 -22.875 3.600 -0.033 1.00 1.27 O ATOM 0 H GLU A 52 -24.686 0.320 0.452 1.00 0.47 H new ATOM 0 HA GLU A 52 -22.359 1.190 1.759 1.00 0.46 H new ATOM 0 HB2 GLU A 52 -25.261 1.215 2.669 1.00 0.49 H new ATOM 0 HB3 GLU A 52 -23.972 2.169 3.376 1.00 0.49 H new ATOM 0 HG2 GLU A 52 -24.961 2.382 0.511 1.00 0.52 H new ATOM 0 HG3 GLU A 52 -25.363 3.483 1.814 1.00 0.52 H new ATOM 1484 N ALA A 53 -23.690 -1.506 2.947 1.00 0.52 N ATOM 1485 CA ALA A 53 -23.549 -2.599 3.902 1.00 0.58 C ATOM 1486 C ALA A 53 -22.103 -3.083 3.998 1.00 0.57 C ATOM 1487 O ALA A 53 -21.481 -2.983 5.055 1.00 0.68 O ATOM 1488 CB ALA A 53 -24.464 -3.748 3.515 1.00 0.65 C ATOM 0 H ALA A 53 -24.317 -1.714 2.170 1.00 0.52 H new ATOM 0 HA ALA A 53 -23.836 -2.224 4.884 1.00 0.58 H new ATOM 0 HB1 ALA A 53 -24.352 -4.560 4.234 1.00 0.65 H new ATOM 0 HB2 ALA A 53 -25.499 -3.405 3.513 1.00 0.65 H new ATOM 0 HB3 ALA A 53 -24.199 -4.105 2.520 1.00 0.65 H new ATOM 1494 N ALA A 54 -21.562 -3.596 2.892 1.00 0.49 N ATOM 1495 CA ALA A 54 -20.193 -4.100 2.887 1.00 0.50 C ATOM 1496 C ALA A 54 -19.216 -2.965 3.169 1.00 0.45 C ATOM 1497 O ALA A 54 -18.221 -3.137 3.870 1.00 0.52 O ATOM 1498 CB ALA A 54 -19.851 -4.779 1.557 1.00 0.49 C ATOM 0 H ALA A 54 -22.047 -3.672 1.998 1.00 0.49 H new ATOM 0 HA ALA A 54 -20.107 -4.849 3.674 1.00 0.50 H new ATOM 0 HB1 ALA A 54 -18.824 -5.143 1.588 1.00 0.49 H new ATOM 0 HB2 ALA A 54 -20.528 -5.617 1.392 1.00 0.49 H new ATOM 0 HB3 ALA A 54 -19.957 -4.061 0.744 1.00 0.49 H new ATOM 1504 N PHE A 55 -19.517 -1.794 2.641 1.00 0.36 N ATOM 1505 CA PHE A 55 -18.625 -0.655 2.780 1.00 0.32 C ATOM 1506 C PHE A 55 -18.570 -0.132 4.208 1.00 0.34 C ATOM 1507 O PHE A 55 -17.625 0.564 4.573 1.00 0.34 O ATOM 1508 CB PHE A 55 -19.019 0.452 1.809 1.00 0.31 C ATOM 1509 CG PHE A 55 -18.366 0.287 0.473 1.00 0.28 C ATOM 1510 CD1 PHE A 55 -18.941 -0.502 -0.506 1.00 1.20 C ATOM 1511 CD2 PHE A 55 -17.159 0.907 0.207 1.00 1.20 C ATOM 1512 CE1 PHE A 55 -18.323 -0.667 -1.729 1.00 1.21 C ATOM 1513 CE2 PHE A 55 -16.537 0.743 -1.010 1.00 1.20 C ATOM 1514 CZ PHE A 55 -17.119 -0.045 -1.982 1.00 0.31 C ATOM 0 H PHE A 55 -20.369 -1.605 2.113 1.00 0.36 H new ATOM 0 HA PHE A 55 -17.621 -0.999 2.533 1.00 0.32 H new ATOM 0 HB2 PHE A 55 -20.102 0.456 1.685 1.00 0.31 H new ATOM 0 HB3 PHE A 55 -18.743 1.419 2.230 1.00 0.31 H new ATOM 0 HD1 PHE A 55 -19.883 -0.994 -0.312 1.00 1.20 H new ATOM 0 HD2 PHE A 55 -16.699 1.527 0.962 1.00 1.20 H new ATOM 0 HE1 PHE A 55 -18.783 -1.283 -2.488 1.00 1.21 H new ATOM 0 HE2 PHE A 55 -15.593 1.231 -1.204 1.00 1.20 H new ATOM 0 HZ PHE A 55 -16.633 -0.174 -2.938 1.00 0.31 H new ATOM 1524 N GLN A 56 -19.554 -0.494 5.021 1.00 0.37 N ATOM 1525 CA GLN A 56 -19.587 -0.059 6.409 1.00 0.40 C ATOM 1526 C GLN A 56 -18.388 -0.615 7.178 1.00 0.37 C ATOM 1527 O GLN A 56 -17.765 0.094 7.966 1.00 0.42 O ATOM 1528 CB GLN A 56 -20.888 -0.495 7.084 1.00 0.46 C ATOM 1529 CG GLN A 56 -21.131 0.183 8.423 1.00 0.58 C ATOM 1530 CD GLN A 56 -22.371 -0.331 9.126 1.00 0.68 C ATOM 1531 OE1 GLN A 56 -22.671 -1.606 8.950 1.00 1.42 O flip ATOM 1532 NE2 GLN A 56 -23.048 0.412 9.838 1.00 1.00 N flip ATOM 0 H GLN A 56 -20.337 -1.086 4.743 1.00 0.37 H new ATOM 0 HA GLN A 56 -19.536 1.030 6.420 1.00 0.40 H new ATOM 0 HB2 GLN A 56 -21.724 -0.279 6.419 1.00 0.46 H new ATOM 0 HB3 GLN A 56 -20.868 -1.575 7.230 1.00 0.46 H new ATOM 0 HG2 GLN A 56 -20.264 0.028 9.066 1.00 0.58 H new ATOM 0 HG3 GLN A 56 -21.226 1.258 8.269 1.00 0.58 H new ATOM 0 HE21 GLN A 56 -22.784 1.391 9.949 1.00 1.00 H new ATOM 0 HE22 GLN A 56 -23.872 0.048 10.316 1.00 1.00 H new ATOM 1541 N LYS A 57 -18.044 -1.877 6.926 1.00 0.34 N ATOM 1542 CA LYS A 57 -16.927 -2.501 7.626 1.00 0.35 C ATOM 1543 C LYS A 57 -15.615 -2.010 7.047 1.00 0.29 C ATOM 1544 O LYS A 57 -14.644 -1.815 7.771 1.00 0.34 O ATOM 1545 CB LYS A 57 -16.994 -4.027 7.537 1.00 0.47 C ATOM 1546 CG LYS A 57 -17.165 -4.737 8.880 1.00 0.85 C ATOM 1547 CD LYS A 57 -15.947 -4.596 9.800 1.00 0.57 C ATOM 1548 CE LYS A 57 -16.060 -3.391 10.726 1.00 0.63 C ATOM 1549 NZ LYS A 57 -15.031 -3.415 11.801 1.00 0.92 N ATOM 0 H LYS A 57 -18.516 -2.479 6.252 1.00 0.34 H new ATOM 0 HA LYS A 57 -16.991 -2.220 8.677 1.00 0.35 H new ATOM 0 HB2 LYS A 57 -17.824 -4.304 6.887 1.00 0.47 H new ATOM 0 HB3 LYS A 57 -16.082 -4.390 7.063 1.00 0.47 H new ATOM 0 HG2 LYS A 57 -18.043 -4.335 9.386 1.00 0.85 H new ATOM 0 HG3 LYS A 57 -17.357 -5.795 8.702 1.00 0.85 H new ATOM 0 HD2 LYS A 57 -15.838 -5.502 10.397 1.00 0.57 H new ATOM 0 HD3 LYS A 57 -15.045 -4.503 9.194 1.00 0.57 H new ATOM 0 HE2 LYS A 57 -15.955 -2.475 10.144 1.00 0.63 H new ATOM 0 HE3 LYS A 57 -17.053 -3.371 11.175 1.00 0.63 H new ATOM 0 HZ1 LYS A 57 -15.245 -2.678 12.503 1.00 0.92 H new ATOM 0 HZ2 LYS A 57 -15.035 -4.346 12.265 1.00 0.92 H new ATOM 0 HZ3 LYS A 57 -14.093 -3.238 11.388 1.00 0.92 H new ATOM 1563 N LEU A 58 -15.603 -1.811 5.734 1.00 0.24 N ATOM 1564 CA LEU A 58 -14.437 -1.274 5.051 1.00 0.20 C ATOM 1565 C LEU A 58 -14.089 0.091 5.619 1.00 0.20 C ATOM 1566 O LEU A 58 -13.058 0.251 6.258 1.00 0.22 O ATOM 1567 CB LEU A 58 -14.704 -1.176 3.547 1.00 0.20 C ATOM 1568 CG LEU A 58 -13.650 -0.414 2.743 1.00 0.19 C ATOM 1569 CD1 LEU A 58 -12.257 -0.950 3.033 1.00 0.20 C ATOM 1570 CD2 LEU A 58 -13.965 -0.492 1.258 1.00 0.23 C ATOM 0 H LEU A 58 -16.392 -2.015 5.121 1.00 0.24 H new ATOM 0 HA LEU A 58 -13.592 -1.945 5.208 1.00 0.20 H new ATOM 0 HB2 LEU A 58 -14.786 -2.185 3.143 1.00 0.20 H new ATOM 0 HB3 LEU A 58 -15.670 -0.694 3.397 1.00 0.20 H new ATOM 0 HG LEU A 58 -13.673 0.633 3.045 1.00 0.19 H new ATOM 0 HD11 LEU A 58 -11.524 -0.393 2.450 1.00 0.20 H new ATOM 0 HD12 LEU A 58 -12.038 -0.837 4.095 1.00 0.20 H new ATOM 0 HD13 LEU A 58 -12.209 -2.005 2.763 1.00 0.20 H new ATOM 0 HD21 LEU A 58 -13.207 0.054 0.696 1.00 0.23 H new ATOM 0 HD22 LEU A 58 -13.970 -1.535 0.941 1.00 0.23 H new ATOM 0 HD23 LEU A 58 -14.944 -0.051 1.070 1.00 0.23 H new ATOM 1582 N MET A 59 -14.970 1.050 5.363 1.00 0.21 N ATOM 1583 CA MET A 59 -14.892 2.398 5.922 1.00 0.26 C ATOM 1584 C MET A 59 -14.425 2.395 7.379 1.00 0.27 C ATOM 1585 O MET A 59 -13.514 3.129 7.753 1.00 0.33 O ATOM 1586 CB MET A 59 -16.276 3.042 5.853 1.00 0.36 C ATOM 1587 CG MET A 59 -16.228 4.543 5.708 1.00 0.34 C ATOM 1588 SD MET A 59 -15.609 5.024 4.094 1.00 0.72 S ATOM 1589 CE MET A 59 -14.847 6.575 4.510 1.00 0.32 C ATOM 0 H MET A 59 -15.774 0.912 4.750 1.00 0.21 H new ATOM 0 HA MET A 59 -14.163 2.959 5.337 1.00 0.26 H new ATOM 0 HB2 MET A 59 -16.824 2.620 5.011 1.00 0.36 H new ATOM 0 HB3 MET A 59 -16.833 2.788 6.755 1.00 0.36 H new ATOM 0 HG2 MET A 59 -17.226 4.957 5.855 1.00 0.34 H new ATOM 0 HG3 MET A 59 -15.590 4.965 6.485 1.00 0.34 H new ATOM 0 HE1 MET A 59 -14.135 6.851 3.732 1.00 0.32 H new ATOM 0 HE2 MET A 59 -15.613 7.346 4.592 1.00 0.32 H new ATOM 0 HE3 MET A 59 -14.325 6.480 5.462 1.00 0.32 H new ATOM 1599 N SER A 60 -15.064 1.559 8.183 1.00 0.28 N ATOM 1600 CA SER A 60 -14.797 1.494 9.618 1.00 0.35 C ATOM 1601 C SER A 60 -13.376 1.023 9.914 1.00 0.32 C ATOM 1602 O SER A 60 -12.655 1.650 10.688 1.00 0.36 O ATOM 1603 CB SER A 60 -15.782 0.535 10.274 1.00 0.41 C ATOM 1604 OG SER A 60 -15.678 0.564 11.688 1.00 0.64 O ATOM 0 H SER A 60 -15.781 0.907 7.864 1.00 0.28 H new ATOM 0 HA SER A 60 -14.912 2.500 10.021 1.00 0.35 H new ATOM 0 HB2 SER A 60 -16.798 0.798 9.978 1.00 0.41 H new ATOM 0 HB3 SER A 60 -15.597 -0.478 9.916 1.00 0.41 H new ATOM 0 HG SER A 60 -16.325 -0.061 12.076 1.00 0.64 H new ATOM 1610 N ASN A 61 -12.989 -0.094 9.308 1.00 0.30 N ATOM 1611 CA ASN A 61 -11.665 -0.664 9.525 1.00 0.31 C ATOM 1612 C ASN A 61 -10.620 0.263 8.953 1.00 0.31 C ATOM 1613 O ASN A 61 -9.532 0.430 9.504 1.00 0.39 O ATOM 1614 CB ASN A 61 -11.557 -2.025 8.850 1.00 0.34 C ATOM 1615 CG ASN A 61 -12.331 -3.121 9.556 1.00 0.43 C ATOM 1616 OD1 ASN A 61 -12.581 -3.056 10.760 1.00 0.95 O ATOM 1617 ND2 ASN A 61 -12.702 -4.150 8.810 1.00 0.57 N ATOM 0 H ASN A 61 -13.574 -0.623 8.662 1.00 0.30 H new ATOM 0 HA ASN A 61 -11.505 -0.787 10.596 1.00 0.31 H new ATOM 0 HB2 ASN A 61 -11.917 -1.941 7.825 1.00 0.34 H new ATOM 0 HB3 ASN A 61 -10.507 -2.311 8.796 1.00 0.34 H new ATOM 0 HD21 ASN A 61 -13.214 -4.926 9.230 1.00 0.57 H new ATOM 0 HD22 ASN A 61 -12.476 -4.167 7.816 1.00 0.57 H new ATOM 1624 N LEU A 62 -10.983 0.849 7.831 1.00 0.30 N ATOM 1625 CA LEU A 62 -10.139 1.795 7.130 1.00 0.33 C ATOM 1626 C LEU A 62 -9.789 2.993 7.992 1.00 0.33 C ATOM 1627 O LEU A 62 -8.616 3.290 8.217 1.00 0.38 O ATOM 1628 CB LEU A 62 -10.857 2.272 5.874 1.00 0.37 C ATOM 1629 CG LEU A 62 -9.984 2.302 4.643 1.00 0.24 C ATOM 1630 CD1 LEU A 62 -9.186 1.024 4.589 1.00 0.52 C ATOM 1631 CD2 LEU A 62 -10.822 2.459 3.387 1.00 0.28 C ATOM 0 H LEU A 62 -11.880 0.681 7.376 1.00 0.30 H new ATOM 0 HA LEU A 62 -9.210 1.287 6.873 1.00 0.33 H new ATOM 0 HB2 LEU A 62 -11.711 1.621 5.686 1.00 0.37 H new ATOM 0 HB3 LEU A 62 -11.252 3.272 6.051 1.00 0.37 H new ATOM 0 HG LEU A 62 -9.311 3.158 4.696 1.00 0.24 H new ATOM 0 HD11 LEU A 62 -8.549 1.030 3.704 1.00 0.52 H new ATOM 0 HD12 LEU A 62 -8.566 0.944 5.482 1.00 0.52 H new ATOM 0 HD13 LEU A 62 -9.865 0.173 4.542 1.00 0.52 H new ATOM 0 HD21 LEU A 62 -10.169 2.478 2.514 1.00 0.28 H new ATOM 0 HD22 LEU A 62 -11.514 1.621 3.304 1.00 0.28 H new ATOM 0 HD23 LEU A 62 -11.385 3.391 3.439 1.00 0.28 H new ATOM 1643 N ASP A 63 -10.813 3.681 8.464 1.00 0.37 N ATOM 1644 CA ASP A 63 -10.622 4.912 9.204 1.00 0.43 C ATOM 1645 C ASP A 63 -10.163 4.610 10.622 1.00 0.38 C ATOM 1646 O ASP A 63 -10.972 4.283 11.493 1.00 0.43 O ATOM 1647 CB ASP A 63 -11.913 5.715 9.235 1.00 0.56 C ATOM 1648 CG ASP A 63 -11.653 7.182 9.469 1.00 0.85 C ATOM 1649 OD1 ASP A 63 -10.927 7.516 10.422 1.00 1.35 O ATOM 1650 OD2 ASP A 63 -12.178 8.007 8.705 1.00 1.56 O ATOM 0 H ASP A 63 -11.788 3.406 8.347 1.00 0.37 H new ATOM 0 HA ASP A 63 -9.853 5.501 8.703 1.00 0.43 H new ATOM 0 HB2 ASP A 63 -12.445 5.586 8.292 1.00 0.56 H new ATOM 0 HB3 ASP A 63 -12.562 5.330 10.022 1.00 0.56 H new ATOM 1655 N SER A 64 -8.866 4.728 10.850 1.00 0.37 N ATOM 1656 CA SER A 64 -8.283 4.343 12.118 1.00 0.41 C ATOM 1657 C SER A 64 -8.432 5.463 13.146 1.00 0.52 C ATOM 1658 O SER A 64 -8.351 5.228 14.353 1.00 0.64 O ATOM 1659 CB SER A 64 -6.810 3.973 11.921 1.00 0.45 C ATOM 1660 OG SER A 64 -5.997 5.121 11.748 1.00 0.58 O ATOM 0 H SER A 64 -8.197 5.089 10.169 1.00 0.37 H new ATOM 0 HA SER A 64 -8.814 3.471 12.500 1.00 0.41 H new ATOM 0 HB2 SER A 64 -6.459 3.406 12.783 1.00 0.45 H new ATOM 0 HB3 SER A 64 -6.712 3.324 11.051 1.00 0.45 H new ATOM 0 HG SER A 64 -6.128 5.482 10.846 1.00 0.58 H new ATOM 1666 N ASN A 65 -8.669 6.679 12.664 1.00 0.60 N ATOM 1667 CA ASN A 65 -8.831 7.829 13.547 1.00 0.83 C ATOM 1668 C ASN A 65 -10.314 8.117 13.764 1.00 0.89 C ATOM 1669 O ASN A 65 -10.685 9.018 14.521 1.00 1.10 O ATOM 1670 CB ASN A 65 -8.109 9.060 12.981 1.00 0.95 C ATOM 1671 CG ASN A 65 -8.778 9.637 11.749 1.00 0.99 C ATOM 1672 OD1 ASN A 65 -9.599 10.549 11.846 1.00 1.52 O ATOM 1673 ND2 ASN A 65 -8.432 9.114 10.581 1.00 1.44 N ATOM 0 H ASN A 65 -8.753 6.893 11.670 1.00 0.60 H new ATOM 0 HA ASN A 65 -8.379 7.595 14.511 1.00 0.83 H new ATOM 0 HB2 ASN A 65 -8.059 9.829 13.752 1.00 0.95 H new ATOM 0 HB3 ASN A 65 -7.083 8.789 12.734 1.00 0.95 H new ATOM 0 HD21 ASN A 65 -8.850 9.467 9.720 1.00 1.44 H new ATOM 0 HD22 ASN A 65 -7.747 8.359 10.543 1.00 1.44 H new ATOM 1680 N ARG A 66 -11.147 7.336 13.078 1.00 0.79 N ATOM 1681 CA ARG A 66 -12.601 7.364 13.242 1.00 0.98 C ATOM 1682 C ARG A 66 -13.185 8.695 12.768 1.00 1.05 C ATOM 1683 O ARG A 66 -13.979 9.325 13.467 1.00 1.34 O ATOM 1684 CB ARG A 66 -12.998 7.100 14.701 1.00 1.26 C ATOM 1685 CG ARG A 66 -12.305 5.900 15.333 1.00 1.46 C ATOM 1686 CD ARG A 66 -12.504 4.620 14.535 1.00 1.25 C ATOM 1687 NE ARG A 66 -11.938 3.465 15.237 1.00 1.91 N ATOM 1688 CZ ARG A 66 -11.468 2.366 14.638 1.00 2.60 C ATOM 1689 NH1 ARG A 66 -11.459 2.269 13.312 1.00 2.85 N ATOM 1690 NH2 ARG A 66 -10.983 1.372 15.375 1.00 3.45 N ATOM 0 H ARG A 66 -10.829 6.658 12.385 1.00 0.79 H new ATOM 0 HA ARG A 66 -13.014 6.568 12.623 1.00 0.98 H new ATOM 0 HB2 ARG A 66 -12.773 7.987 15.293 1.00 1.26 H new ATOM 0 HB3 ARG A 66 -14.076 6.949 14.750 1.00 1.26 H new ATOM 0 HG2 ARG A 66 -11.238 6.106 15.421 1.00 1.46 H new ATOM 0 HG3 ARG A 66 -12.686 5.756 16.344 1.00 1.46 H new ATOM 0 HD2 ARG A 66 -13.568 4.458 14.362 1.00 1.25 H new ATOM 0 HD3 ARG A 66 -12.033 4.721 13.557 1.00 1.25 H new ATOM 0 HE ARG A 66 -11.900 3.502 16.256 1.00 1.91 H new ATOM 0 HH11 ARG A 66 -11.813 3.037 12.742 1.00 2.85 H new ATOM 0 HH12 ARG A 66 -11.098 1.426 12.865 1.00 2.85 H new ATOM 0 HH21 ARG A 66 -10.971 1.450 16.392 1.00 3.45 H new ATOM 0 HH22 ARG A 66 -10.623 0.531 14.924 1.00 3.45 H new ATOM 1704 N ASP A 67 -12.783 9.120 11.579 1.00 0.86 N ATOM 1705 CA ASP A 67 -13.300 10.347 10.982 1.00 1.00 C ATOM 1706 C ASP A 67 -14.513 10.044 10.106 1.00 0.88 C ATOM 1707 O ASP A 67 -15.326 10.928 9.825 1.00 0.94 O ATOM 1708 CB ASP A 67 -12.206 11.022 10.144 1.00 1.13 C ATOM 1709 CG ASP A 67 -12.569 12.430 9.715 1.00 1.57 C ATOM 1710 OD1 ASP A 67 -12.722 13.299 10.599 1.00 2.02 O ATOM 1711 OD2 ASP A 67 -12.663 12.691 8.495 1.00 2.08 O ATOM 0 H ASP A 67 -12.096 8.631 11.004 1.00 0.86 H new ATOM 0 HA ASP A 67 -13.607 11.021 11.782 1.00 1.00 H new ATOM 0 HB2 ASP A 67 -11.281 11.051 10.720 1.00 1.13 H new ATOM 0 HB3 ASP A 67 -12.010 10.418 9.258 1.00 1.13 H new ATOM 1716 N ASN A 68 -14.621 8.778 9.693 1.00 0.77 N ATOM 1717 CA ASN A 68 -15.659 8.310 8.761 1.00 0.74 C ATOM 1718 C ASN A 68 -15.397 8.850 7.365 1.00 0.65 C ATOM 1719 O ASN A 68 -16.250 8.788 6.478 1.00 0.66 O ATOM 1720 CB ASN A 68 -17.073 8.671 9.230 1.00 0.92 C ATOM 1721 CG ASN A 68 -17.527 7.817 10.397 1.00 1.13 C ATOM 1722 OD1 ASN A 68 -17.110 6.667 10.539 1.00 1.54 O ATOM 1723 ND2 ASN A 68 -18.394 8.362 11.235 1.00 1.75 N ATOM 0 H ASN A 68 -13.986 8.040 9.997 1.00 0.77 H new ATOM 0 HA ASN A 68 -15.606 7.222 8.736 1.00 0.74 H new ATOM 0 HB2 ASN A 68 -17.100 9.722 9.519 1.00 0.92 H new ATOM 0 HB3 ASN A 68 -17.770 8.550 8.401 1.00 0.92 H new ATOM 0 HD21 ASN A 68 -18.740 7.826 12.031 1.00 1.75 H new ATOM 0 HD22 ASN A 68 -18.717 9.318 11.085 1.00 1.75 H new ATOM 1730 N GLU A 69 -14.189 9.351 7.190 1.00 0.64 N ATOM 1731 CA GLU A 69 -13.688 9.804 5.910 1.00 0.63 C ATOM 1732 C GLU A 69 -12.203 9.504 5.858 1.00 0.54 C ATOM 1733 O GLU A 69 -11.428 10.022 6.663 1.00 0.65 O ATOM 1734 CB GLU A 69 -13.938 11.299 5.694 1.00 0.82 C ATOM 1735 CG GLU A 69 -15.370 11.640 5.327 1.00 0.95 C ATOM 1736 CD GLU A 69 -15.535 13.091 4.930 1.00 1.13 C ATOM 1737 OE1 GLU A 69 -15.065 13.471 3.838 1.00 1.59 O ATOM 1738 OE2 GLU A 69 -16.127 13.864 5.712 1.00 1.65 O ATOM 0 H GLU A 69 -13.517 9.456 7.950 1.00 0.64 H new ATOM 0 HA GLU A 69 -14.216 9.281 5.113 1.00 0.63 H new ATOM 0 HB2 GLU A 69 -13.669 11.837 6.603 1.00 0.82 H new ATOM 0 HB3 GLU A 69 -13.277 11.657 4.905 1.00 0.82 H new ATOM 0 HG2 GLU A 69 -15.693 11.002 4.504 1.00 0.95 H new ATOM 0 HG3 GLU A 69 -16.021 11.422 6.174 1.00 0.95 H new ATOM 1745 N VAL A 70 -11.813 8.665 4.920 1.00 0.40 N ATOM 1746 CA VAL A 70 -10.468 8.126 4.901 1.00 0.31 C ATOM 1747 C VAL A 70 -9.444 9.159 4.462 1.00 0.33 C ATOM 1748 O VAL A 70 -9.449 9.628 3.319 1.00 0.39 O ATOM 1749 CB VAL A 70 -10.380 6.880 4.004 1.00 0.28 C ATOM 1750 CG1 VAL A 70 -8.957 6.375 3.893 1.00 0.32 C ATOM 1751 CG2 VAL A 70 -11.285 5.794 4.547 1.00 0.29 C ATOM 0 H VAL A 70 -12.410 8.341 4.159 1.00 0.40 H new ATOM 0 HA VAL A 70 -10.233 7.838 5.926 1.00 0.31 H new ATOM 0 HB VAL A 70 -10.709 7.157 3.002 1.00 0.28 H new ATOM 0 HG11 VAL A 70 -8.933 5.494 3.252 1.00 0.32 H new ATOM 0 HG12 VAL A 70 -8.327 7.154 3.463 1.00 0.32 H new ATOM 0 HG13 VAL A 70 -8.586 6.113 4.884 1.00 0.32 H new ATOM 0 HG21 VAL A 70 -11.220 4.913 3.909 1.00 0.29 H new ATOM 0 HG22 VAL A 70 -10.974 5.533 5.558 1.00 0.29 H new ATOM 0 HG23 VAL A 70 -12.314 6.153 4.565 1.00 0.29 H new ATOM 1761 N ASP A 71 -8.599 9.526 5.411 1.00 0.36 N ATOM 1762 CA ASP A 71 -7.426 10.344 5.149 1.00 0.40 C ATOM 1763 C ASP A 71 -6.403 9.507 4.388 1.00 0.32 C ATOM 1764 O ASP A 71 -6.492 8.280 4.396 1.00 0.29 O ATOM 1765 CB ASP A 71 -6.846 10.834 6.481 1.00 0.49 C ATOM 1766 CG ASP A 71 -5.544 11.589 6.326 1.00 0.61 C ATOM 1767 OD1 ASP A 71 -5.586 12.810 6.092 1.00 1.32 O ATOM 1768 OD2 ASP A 71 -4.471 10.959 6.454 1.00 1.22 O ATOM 0 H ASP A 71 -8.708 9.263 6.391 1.00 0.36 H new ATOM 0 HA ASP A 71 -7.692 11.212 4.546 1.00 0.40 H new ATOM 0 HB2 ASP A 71 -7.575 11.479 6.972 1.00 0.49 H new ATOM 0 HB3 ASP A 71 -6.686 9.978 7.136 1.00 0.49 H new ATOM 1773 N PHE A 72 -5.434 10.145 3.742 1.00 0.36 N ATOM 1774 CA PHE A 72 -4.473 9.417 2.920 1.00 0.36 C ATOM 1775 C PHE A 72 -3.762 8.320 3.708 1.00 0.30 C ATOM 1776 O PHE A 72 -3.478 7.250 3.171 1.00 0.39 O ATOM 1777 CB PHE A 72 -3.433 10.344 2.302 1.00 0.51 C ATOM 1778 CG PHE A 72 -2.587 9.616 1.305 1.00 0.58 C ATOM 1779 CD1 PHE A 72 -3.182 8.745 0.406 1.00 1.26 C ATOM 1780 CD2 PHE A 72 -1.216 9.769 1.270 1.00 1.38 C ATOM 1781 CE1 PHE A 72 -2.432 8.040 -0.501 1.00 1.29 C ATOM 1782 CE2 PHE A 72 -0.462 9.074 0.353 1.00 1.46 C ATOM 1783 CZ PHE A 72 -1.063 8.211 -0.528 1.00 0.78 C ATOM 0 H PHE A 72 -5.293 11.155 3.770 1.00 0.36 H new ATOM 0 HA PHE A 72 -5.054 8.956 2.121 1.00 0.36 H new ATOM 0 HB2 PHE A 72 -3.932 11.183 1.817 1.00 0.51 H new ATOM 0 HB3 PHE A 72 -2.800 10.760 3.086 1.00 0.51 H new ATOM 0 HD1 PHE A 72 -4.255 8.619 0.420 1.00 1.26 H new ATOM 0 HD2 PHE A 72 -0.732 10.438 1.966 1.00 1.38 H new ATOM 0 HE1 PHE A 72 -2.909 7.357 -1.188 1.00 1.29 H new ATOM 0 HE2 PHE A 72 0.609 9.209 0.326 1.00 1.46 H new ATOM 0 HZ PHE A 72 -0.465 7.665 -1.243 1.00 0.78 H new ATOM 1793 N GLN A 73 -3.487 8.572 4.977 1.00 0.30 N ATOM 1794 CA GLN A 73 -2.795 7.589 5.799 1.00 0.41 C ATOM 1795 C GLN A 73 -3.636 6.326 5.950 1.00 0.38 C ATOM 1796 O GLN A 73 -3.105 5.212 5.940 1.00 0.44 O ATOM 1797 CB GLN A 73 -2.442 8.156 7.173 1.00 0.61 C ATOM 1798 CG GLN A 73 -1.525 9.367 7.114 1.00 0.85 C ATOM 1799 CD GLN A 73 -0.671 9.511 8.358 1.00 0.83 C ATOM 1800 OE1 GLN A 73 -0.288 8.386 8.945 1.00 1.20 O flip ATOM 1801 NE2 GLN A 73 -0.334 10.619 8.774 1.00 1.48 N flip ATOM 0 H GLN A 73 -3.728 9.439 5.458 1.00 0.30 H new ATOM 0 HA GLN A 73 -1.865 7.334 5.292 1.00 0.41 H new ATOM 0 HB2 GLN A 73 -3.361 8.431 7.690 1.00 0.61 H new ATOM 0 HB3 GLN A 73 -1.964 7.377 7.766 1.00 0.61 H new ATOM 0 HG2 GLN A 73 -0.878 9.286 6.241 1.00 0.85 H new ATOM 0 HG3 GLN A 73 -2.126 10.267 6.984 1.00 0.85 H new ATOM 0 HE21 GLN A 73 -0.650 11.462 8.294 1.00 1.48 H new ATOM 0 HE22 GLN A 73 0.261 10.695 9.599 1.00 1.48 H new ATOM 1810 N GLU A 74 -4.951 6.493 6.047 1.00 0.34 N ATOM 1811 CA GLU A 74 -5.843 5.357 6.197 1.00 0.37 C ATOM 1812 C GLU A 74 -6.039 4.716 4.828 1.00 0.32 C ATOM 1813 O GLU A 74 -6.389 3.545 4.704 1.00 0.36 O ATOM 1814 CB GLU A 74 -7.200 5.794 6.768 1.00 0.44 C ATOM 1815 CG GLU A 74 -7.172 7.093 7.570 1.00 0.52 C ATOM 1816 CD GLU A 74 -6.378 7.007 8.858 1.00 0.58 C ATOM 1817 OE1 GLU A 74 -6.956 6.613 9.890 1.00 1.29 O ATOM 1818 OE2 GLU A 74 -5.184 7.372 8.848 1.00 1.16 O ATOM 0 H GLU A 74 -5.417 7.400 6.024 1.00 0.34 H new ATOM 0 HA GLU A 74 -5.403 4.643 6.893 1.00 0.37 H new ATOM 0 HB2 GLU A 74 -7.905 5.908 5.944 1.00 0.44 H new ATOM 0 HB3 GLU A 74 -7.582 4.998 7.407 1.00 0.44 H new ATOM 0 HG2 GLU A 74 -6.751 7.883 6.948 1.00 0.52 H new ATOM 0 HG3 GLU A 74 -8.196 7.384 7.805 1.00 0.52 H new ATOM 1825 N TYR A 75 -5.784 5.513 3.799 1.00 0.26 N ATOM 1826 CA TYR A 75 -5.925 5.091 2.415 1.00 0.25 C ATOM 1827 C TYR A 75 -4.738 4.217 1.999 1.00 0.24 C ATOM 1828 O TYR A 75 -4.867 3.316 1.169 1.00 0.28 O ATOM 1829 CB TYR A 75 -6.028 6.336 1.525 1.00 0.25 C ATOM 1830 CG TYR A 75 -6.358 6.053 0.081 1.00 0.26 C ATOM 1831 CD1 TYR A 75 -5.398 5.539 -0.779 1.00 1.17 C ATOM 1832 CD2 TYR A 75 -7.629 6.304 -0.420 1.00 1.27 C ATOM 1833 CE1 TYR A 75 -5.688 5.277 -2.099 1.00 1.17 C ATOM 1834 CE2 TYR A 75 -7.929 6.044 -1.747 1.00 1.30 C ATOM 1835 CZ TYR A 75 -6.951 5.530 -2.580 1.00 0.38 C ATOM 1836 OH TYR A 75 -7.234 5.274 -3.900 1.00 0.47 O ATOM 0 H TYR A 75 -5.471 6.478 3.904 1.00 0.26 H new ATOM 0 HA TYR A 75 -6.830 4.494 2.302 1.00 0.25 H new ATOM 0 HB2 TYR A 75 -6.792 6.997 1.935 1.00 0.25 H new ATOM 0 HB3 TYR A 75 -5.082 6.876 1.568 1.00 0.25 H new ATOM 0 HD1 TYR A 75 -4.404 5.341 -0.406 1.00 1.17 H new ATOM 0 HD2 TYR A 75 -8.391 6.706 0.232 1.00 1.27 H new ATOM 0 HE1 TYR A 75 -4.928 4.875 -2.753 1.00 1.17 H new ATOM 0 HE2 TYR A 75 -8.920 6.241 -2.129 1.00 1.30 H new ATOM 0 HH TYR A 75 -6.423 5.391 -4.437 1.00 0.47 H new ATOM 1846 N CYS A 76 -3.583 4.489 2.575 1.00 0.22 N ATOM 1847 CA CYS A 76 -2.395 3.692 2.306 1.00 0.21 C ATOM 1848 C CYS A 76 -2.502 2.325 2.948 1.00 0.15 C ATOM 1849 O CYS A 76 -2.216 1.310 2.311 1.00 0.17 O ATOM 1850 CB CYS A 76 -1.158 4.425 2.792 1.00 0.27 C ATOM 1851 SG CYS A 76 -0.896 6.005 1.970 1.00 1.65 S ATOM 0 H CYS A 76 -3.439 5.255 3.233 1.00 0.22 H new ATOM 0 HA CYS A 76 -2.312 3.544 1.229 1.00 0.21 H new ATOM 0 HB2 CYS A 76 -1.242 4.592 3.866 1.00 0.27 H new ATOM 0 HB3 CYS A 76 -0.284 3.792 2.635 1.00 0.27 H new ATOM 0 HG CYS A 76 -1.852 6.825 2.292 1.00 1.65 H new ATOM 1857 N VAL A 77 -2.936 2.288 4.194 1.00 0.16 N ATOM 1858 CA VAL A 77 -3.130 1.021 4.868 1.00 0.17 C ATOM 1859 C VAL A 77 -4.326 0.290 4.279 1.00 0.17 C ATOM 1860 O VAL A 77 -4.430 -0.925 4.394 1.00 0.19 O ATOM 1861 CB VAL A 77 -3.288 1.191 6.386 1.00 0.20 C ATOM 1862 CG1 VAL A 77 -2.009 1.758 6.967 1.00 0.23 C ATOM 1863 CG2 VAL A 77 -4.476 2.079 6.727 1.00 0.19 C ATOM 0 H VAL A 77 -3.158 3.111 4.753 1.00 0.16 H new ATOM 0 HA VAL A 77 -2.234 0.422 4.707 1.00 0.17 H new ATOM 0 HB VAL A 77 -3.480 0.213 6.826 1.00 0.20 H new ATOM 0 HG11 VAL A 77 -2.121 1.879 8.044 1.00 0.23 H new ATOM 0 HG12 VAL A 77 -1.183 1.077 6.762 1.00 0.23 H new ATOM 0 HG13 VAL A 77 -1.801 2.727 6.513 1.00 0.23 H new ATOM 0 HG21 VAL A 77 -4.558 2.177 7.809 1.00 0.19 H new ATOM 0 HG22 VAL A 77 -4.333 3.064 6.283 1.00 0.19 H new ATOM 0 HG23 VAL A 77 -5.389 1.632 6.333 1.00 0.19 H new ATOM 1873 N PHE A 78 -5.215 1.049 3.641 1.00 0.20 N ATOM 1874 CA PHE A 78 -6.282 0.483 2.841 1.00 0.22 C ATOM 1875 C PHE A 78 -5.695 -0.495 1.843 1.00 0.19 C ATOM 1876 O PHE A 78 -5.822 -1.703 2.000 1.00 0.18 O ATOM 1877 CB PHE A 78 -7.026 1.619 2.116 1.00 0.30 C ATOM 1878 CG PHE A 78 -8.044 1.197 1.094 1.00 0.22 C ATOM 1879 CD1 PHE A 78 -9.015 0.250 1.375 1.00 1.19 C ATOM 1880 CD2 PHE A 78 -8.032 1.787 -0.156 1.00 1.21 C ATOM 1881 CE1 PHE A 78 -9.953 -0.100 0.423 1.00 1.21 C ATOM 1882 CE2 PHE A 78 -8.959 1.441 -1.112 1.00 1.20 C ATOM 1883 CZ PHE A 78 -9.923 0.496 -0.825 1.00 0.22 C ATOM 0 H PHE A 78 -5.210 2.069 3.668 1.00 0.20 H new ATOM 0 HA PHE A 78 -6.988 -0.050 3.478 1.00 0.22 H new ATOM 0 HB2 PHE A 78 -7.526 2.234 2.864 1.00 0.30 H new ATOM 0 HB3 PHE A 78 -6.288 2.253 1.624 1.00 0.30 H new ATOM 0 HD1 PHE A 78 -9.039 -0.219 2.347 1.00 1.19 H new ATOM 0 HD2 PHE A 78 -7.284 2.531 -0.386 1.00 1.21 H new ATOM 0 HE1 PHE A 78 -10.708 -0.837 0.653 1.00 1.21 H new ATOM 0 HE2 PHE A 78 -8.932 1.908 -2.085 1.00 1.20 H new ATOM 0 HZ PHE A 78 -10.652 0.222 -1.573 1.00 0.22 H new ATOM 1893 N LEU A 79 -4.980 0.043 0.870 1.00 0.20 N ATOM 1894 CA LEU A 79 -4.475 -0.747 -0.238 1.00 0.19 C ATOM 1895 C LEU A 79 -3.434 -1.758 0.193 1.00 0.16 C ATOM 1896 O LEU A 79 -3.484 -2.914 -0.205 1.00 0.18 O ATOM 1897 CB LEU A 79 -3.909 0.170 -1.310 1.00 0.22 C ATOM 1898 CG LEU A 79 -4.967 1.003 -2.009 1.00 0.15 C ATOM 1899 CD1 LEU A 79 -4.370 1.774 -3.171 1.00 0.16 C ATOM 1900 CD2 LEU A 79 -6.093 0.095 -2.467 1.00 0.16 C ATOM 0 H LEU A 79 -4.735 1.032 0.826 1.00 0.20 H new ATOM 0 HA LEU A 79 -5.315 -1.313 -0.642 1.00 0.19 H new ATOM 0 HB2 LEU A 79 -3.173 0.835 -0.858 1.00 0.22 H new ATOM 0 HB3 LEU A 79 -3.382 -0.431 -2.051 1.00 0.22 H new ATOM 0 HG LEU A 79 -5.368 1.738 -1.311 1.00 0.15 H new ATOM 0 HD11 LEU A 79 -5.149 2.363 -3.655 1.00 0.16 H new ATOM 0 HD12 LEU A 79 -3.588 2.439 -2.803 1.00 0.16 H new ATOM 0 HD13 LEU A 79 -3.943 1.075 -3.891 1.00 0.16 H new ATOM 0 HD21 LEU A 79 -6.857 0.688 -2.970 1.00 0.16 H new ATOM 0 HD22 LEU A 79 -5.700 -0.652 -3.157 1.00 0.16 H new ATOM 0 HD23 LEU A 79 -6.532 -0.404 -1.603 1.00 0.16 H new ATOM 1912 N SER A 80 -2.505 -1.345 1.021 1.00 0.15 N ATOM 1913 CA SER A 80 -1.429 -2.226 1.414 1.00 0.15 C ATOM 1914 C SER A 80 -1.958 -3.428 2.192 1.00 0.15 C ATOM 1915 O SER A 80 -1.387 -4.512 2.149 1.00 0.18 O ATOM 1916 CB SER A 80 -0.403 -1.451 2.212 1.00 0.17 C ATOM 1917 OG SER A 80 0.208 -0.464 1.403 1.00 0.23 O ATOM 0 H SER A 80 -2.471 -0.413 1.433 1.00 0.15 H new ATOM 0 HA SER A 80 -0.946 -2.617 0.519 1.00 0.15 H new ATOM 0 HB2 SER A 80 -0.881 -0.981 3.072 1.00 0.17 H new ATOM 0 HB3 SER A 80 0.354 -2.132 2.601 1.00 0.17 H new ATOM 0 HG SER A 80 1.181 -0.578 1.427 1.00 0.23 H new ATOM 1923 N CYS A 81 -3.059 -3.247 2.890 1.00 0.14 N ATOM 1924 CA CYS A 81 -3.695 -4.361 3.558 1.00 0.15 C ATOM 1925 C CYS A 81 -4.555 -5.162 2.592 1.00 0.14 C ATOM 1926 O CYS A 81 -4.885 -6.317 2.859 1.00 0.16 O ATOM 1927 CB CYS A 81 -4.484 -3.879 4.758 1.00 0.17 C ATOM 1928 SG CYS A 81 -3.413 -3.329 6.101 1.00 0.22 S ATOM 0 H CYS A 81 -3.528 -2.349 3.009 1.00 0.14 H new ATOM 0 HA CYS A 81 -2.920 -5.035 3.923 1.00 0.15 H new ATOM 0 HB2 CYS A 81 -5.136 -3.059 4.457 1.00 0.17 H new ATOM 0 HB3 CYS A 81 -5.127 -4.683 5.115 1.00 0.17 H new ATOM 0 HG CYS A 81 -2.441 -2.615 5.616 1.00 0.22 H new ATOM 1934 N ILE A 82 -4.896 -4.567 1.453 1.00 0.13 N ATOM 1935 CA ILE A 82 -5.597 -5.313 0.422 1.00 0.14 C ATOM 1936 C ILE A 82 -4.579 -6.124 -0.369 1.00 0.17 C ATOM 1937 O ILE A 82 -4.943 -7.057 -1.059 1.00 0.21 O ATOM 1938 CB ILE A 82 -6.425 -4.437 -0.551 1.00 0.15 C ATOM 1939 CG1 ILE A 82 -7.200 -3.362 0.192 1.00 0.15 C ATOM 1940 CG2 ILE A 82 -7.415 -5.300 -1.320 1.00 0.16 C ATOM 1941 CD1 ILE A 82 -8.062 -2.517 -0.717 1.00 0.18 C ATOM 0 H ILE A 82 -4.702 -3.592 1.226 1.00 0.13 H new ATOM 0 HA ILE A 82 -6.317 -5.952 0.934 1.00 0.14 H new ATOM 0 HB ILE A 82 -5.724 -3.961 -1.236 1.00 0.15 H new ATOM 0 HG12 ILE A 82 -7.831 -3.833 0.946 1.00 0.15 H new ATOM 0 HG13 ILE A 82 -6.498 -2.717 0.721 1.00 0.15 H new ATOM 0 HG21 ILE A 82 -7.991 -4.674 -2.001 1.00 0.16 H new ATOM 0 HG22 ILE A 82 -6.873 -6.054 -1.891 1.00 0.16 H new ATOM 0 HG23 ILE A 82 -8.090 -5.791 -0.619 1.00 0.16 H new ATOM 0 HD11 ILE A 82 -8.589 -1.768 -0.126 1.00 0.18 H new ATOM 0 HD12 ILE A 82 -7.433 -2.019 -1.455 1.00 0.18 H new ATOM 0 HD13 ILE A 82 -8.786 -3.153 -1.226 1.00 0.18 H new ATOM 1953 N ALA A 83 -3.298 -5.745 -0.292 1.00 0.18 N ATOM 1954 CA ALA A 83 -2.225 -6.616 -0.760 1.00 0.23 C ATOM 1955 C ALA A 83 -2.336 -7.970 -0.089 1.00 0.20 C ATOM 1956 O ALA A 83 -2.599 -8.984 -0.733 1.00 0.21 O ATOM 1957 CB ALA A 83 -0.867 -6.020 -0.441 1.00 0.30 C ATOM 0 H ALA A 83 -2.986 -4.851 0.086 1.00 0.18 H new ATOM 0 HA ALA A 83 -2.321 -6.723 -1.840 1.00 0.23 H new ATOM 0 HB1 ALA A 83 -0.083 -6.687 -0.800 1.00 0.30 H new ATOM 0 HB2 ALA A 83 -0.771 -5.051 -0.931 1.00 0.30 H new ATOM 0 HB3 ALA A 83 -0.770 -5.893 0.637 1.00 0.30 H new ATOM 1963 N MET A 84 -2.151 -7.961 1.225 1.00 0.22 N ATOM 1964 CA MET A 84 -2.274 -9.168 2.033 1.00 0.25 C ATOM 1965 C MET A 84 -3.610 -9.848 1.782 1.00 0.24 C ATOM 1966 O MET A 84 -3.680 -11.065 1.605 1.00 0.28 O ATOM 1967 CB MET A 84 -2.152 -8.834 3.519 1.00 0.30 C ATOM 1968 CG MET A 84 -0.771 -8.373 3.939 1.00 0.34 C ATOM 1969 SD MET A 84 -0.719 -7.865 5.665 1.00 0.36 S ATOM 1970 CE MET A 84 -1.744 -6.397 5.611 1.00 0.20 C ATOM 0 H MET A 84 -1.913 -7.124 1.757 1.00 0.22 H new ATOM 0 HA MET A 84 -1.468 -9.844 1.748 1.00 0.25 H new ATOM 0 HB2 MET A 84 -2.874 -8.055 3.766 1.00 0.30 H new ATOM 0 HB3 MET A 84 -2.422 -9.715 4.102 1.00 0.30 H new ATOM 0 HG2 MET A 84 -0.056 -9.180 3.778 1.00 0.34 H new ATOM 0 HG3 MET A 84 -0.460 -7.541 3.308 1.00 0.34 H new ATOM 0 HE1 MET A 84 -1.840 -5.983 6.615 1.00 0.20 H new ATOM 0 HE2 MET A 84 -1.285 -5.657 4.955 1.00 0.20 H new ATOM 0 HE3 MET A 84 -2.732 -6.657 5.230 1.00 0.20 H new ATOM 1980 N MET A 85 -4.663 -9.045 1.749 1.00 0.25 N ATOM 1981 CA MET A 85 -6.010 -9.557 1.584 1.00 0.36 C ATOM 1982 C MET A 85 -6.218 -10.145 0.178 1.00 0.33 C ATOM 1983 O MET A 85 -6.914 -11.150 0.020 1.00 0.43 O ATOM 1984 CB MET A 85 -7.027 -8.448 1.878 1.00 0.62 C ATOM 1985 CG MET A 85 -8.459 -8.946 1.901 1.00 0.77 C ATOM 1986 SD MET A 85 -9.285 -8.728 0.318 1.00 0.67 S ATOM 1987 CE MET A 85 -9.932 -7.074 0.537 1.00 0.30 C ATOM 0 H MET A 85 -4.607 -8.030 1.835 1.00 0.25 H new ATOM 0 HA MET A 85 -6.162 -10.369 2.296 1.00 0.36 H new ATOM 0 HB2 MET A 85 -6.791 -7.993 2.840 1.00 0.62 H new ATOM 0 HB3 MET A 85 -6.932 -7.667 1.124 1.00 0.62 H new ATOM 0 HG2 MET A 85 -8.469 -10.002 2.171 1.00 0.77 H new ATOM 0 HG3 MET A 85 -9.014 -8.414 2.674 1.00 0.77 H new ATOM 0 HE1 MET A 85 -10.290 -6.694 -0.420 1.00 0.30 H new ATOM 0 HE2 MET A 85 -10.757 -7.097 1.249 1.00 0.30 H new ATOM 0 HE3 MET A 85 -9.144 -6.422 0.915 1.00 0.30 H new ATOM 1997 N CYS A 86 -5.612 -9.524 -0.836 1.00 0.32 N ATOM 1998 CA CYS A 86 -5.671 -10.028 -2.204 1.00 0.43 C ATOM 1999 C CYS A 86 -5.098 -11.437 -2.304 1.00 0.43 C ATOM 2000 O CYS A 86 -5.607 -12.259 -3.060 1.00 0.58 O ATOM 2001 CB CYS A 86 -4.905 -9.090 -3.144 1.00 0.49 C ATOM 2002 SG CYS A 86 -4.901 -9.596 -4.880 1.00 0.57 S ATOM 0 H CYS A 86 -5.072 -8.665 -0.731 1.00 0.32 H new ATOM 0 HA CYS A 86 -6.719 -10.066 -2.500 1.00 0.43 H new ATOM 0 HB2 CYS A 86 -5.338 -8.092 -3.072 1.00 0.49 H new ATOM 0 HB3 CYS A 86 -3.874 -9.015 -2.799 1.00 0.49 H new ATOM 0 HG CYS A 86 -4.620 -8.572 -5.630 1.00 0.57 H new ATOM 2008 N ASN A 87 -4.053 -11.723 -1.527 1.00 0.36 N ATOM 2009 CA ASN A 87 -3.387 -13.025 -1.595 1.00 0.44 C ATOM 2010 C ASN A 87 -4.349 -14.146 -1.207 1.00 0.47 C ATOM 2011 O ASN A 87 -4.221 -15.277 -1.676 1.00 0.54 O ATOM 2012 CB ASN A 87 -2.148 -13.054 -0.695 1.00 0.54 C ATOM 2013 CG ASN A 87 -1.252 -14.252 -0.974 1.00 0.72 C ATOM 2014 OD1 ASN A 87 -0.379 -14.202 -1.844 1.00 1.43 O ATOM 2015 ND2 ASN A 87 -1.450 -15.329 -0.233 1.00 1.23 N ATOM 0 H ASN A 87 -3.651 -11.076 -0.848 1.00 0.36 H new ATOM 0 HA ASN A 87 -3.067 -13.183 -2.625 1.00 0.44 H new ATOM 0 HB2 ASN A 87 -1.577 -12.137 -0.839 1.00 0.54 H new ATOM 0 HB3 ASN A 87 -2.462 -13.074 0.349 1.00 0.54 H new ATOM 0 HD21 ASN A 87 -0.870 -16.157 -0.371 1.00 1.23 H new ATOM 0 HD22 ASN A 87 -2.182 -15.332 0.477 1.00 1.23 H new ATOM 2022 N GLU A 88 -5.327 -13.813 -0.369 1.00 0.56 N ATOM 2023 CA GLU A 88 -6.362 -14.760 0.026 1.00 0.70 C ATOM 2024 C GLU A 88 -7.096 -15.259 -1.222 1.00 0.73 C ATOM 2025 O GLU A 88 -7.276 -16.462 -1.423 1.00 0.82 O ATOM 2026 CB GLU A 88 -7.352 -14.078 0.978 1.00 0.96 C ATOM 2027 CG GLU A 88 -8.256 -15.033 1.743 1.00 1.81 C ATOM 2028 CD GLU A 88 -7.575 -15.643 2.952 1.00 2.18 C ATOM 2029 OE1 GLU A 88 -6.889 -16.673 2.803 1.00 2.60 O ATOM 2030 OE2 GLU A 88 -7.727 -15.091 4.064 1.00 2.78 O ATOM 0 H GLU A 88 -5.423 -12.888 0.051 1.00 0.56 H new ATOM 0 HA GLU A 88 -5.905 -15.607 0.538 1.00 0.70 H new ATOM 0 HB2 GLU A 88 -6.792 -13.477 1.694 1.00 0.96 H new ATOM 0 HB3 GLU A 88 -7.974 -13.392 0.403 1.00 0.96 H new ATOM 0 HG2 GLU A 88 -9.150 -14.500 2.066 1.00 1.81 H new ATOM 0 HG3 GLU A 88 -8.583 -15.830 1.075 1.00 1.81 H new ATOM 2037 N PHE A 89 -7.476 -14.316 -2.077 1.00 0.78 N ATOM 2038 CA PHE A 89 -8.187 -14.622 -3.315 1.00 0.98 C ATOM 2039 C PHE A 89 -7.199 -15.016 -4.415 1.00 0.94 C ATOM 2040 O PHE A 89 -7.572 -15.645 -5.408 1.00 1.28 O ATOM 2041 CB PHE A 89 -9.019 -13.406 -3.739 1.00 1.19 C ATOM 2042 CG PHE A 89 -9.864 -13.627 -4.962 1.00 1.49 C ATOM 2043 CD1 PHE A 89 -10.981 -14.447 -4.912 1.00 2.09 C ATOM 2044 CD2 PHE A 89 -9.546 -13.008 -6.160 1.00 2.23 C ATOM 2045 CE1 PHE A 89 -11.762 -14.644 -6.033 1.00 2.74 C ATOM 2046 CE2 PHE A 89 -10.322 -13.203 -7.285 1.00 2.94 C ATOM 2047 CZ PHE A 89 -11.431 -14.021 -7.221 1.00 3.02 C ATOM 0 H PHE A 89 -7.301 -13.321 -1.933 1.00 0.78 H new ATOM 0 HA PHE A 89 -8.856 -15.466 -3.148 1.00 0.98 H new ATOM 0 HB2 PHE A 89 -9.668 -13.119 -2.911 1.00 1.19 H new ATOM 0 HB3 PHE A 89 -8.347 -12.568 -3.923 1.00 1.19 H new ATOM 0 HD1 PHE A 89 -11.243 -14.937 -3.986 1.00 2.09 H new ATOM 0 HD2 PHE A 89 -8.680 -12.365 -6.214 1.00 2.23 H new ATOM 0 HE1 PHE A 89 -12.630 -15.284 -5.982 1.00 2.74 H new ATOM 0 HE2 PHE A 89 -10.061 -12.716 -8.213 1.00 2.94 H new ATOM 0 HZ PHE A 89 -12.040 -14.174 -8.099 1.00 3.02 H new ATOM 2057 N PHE A 90 -5.941 -14.642 -4.228 1.00 0.69 N ATOM 2058 CA PHE A 90 -4.870 -15.033 -5.137 1.00 0.84 C ATOM 2059 C PHE A 90 -4.689 -16.545 -5.086 1.00 1.24 C ATOM 2060 O PHE A 90 -4.610 -17.208 -6.120 1.00 1.57 O ATOM 2061 CB PHE A 90 -3.568 -14.322 -4.754 1.00 0.96 C ATOM 2062 CG PHE A 90 -2.429 -14.559 -5.704 1.00 1.08 C ATOM 2063 CD1 PHE A 90 -2.279 -13.772 -6.834 1.00 1.75 C ATOM 2064 CD2 PHE A 90 -1.504 -15.563 -5.463 1.00 1.59 C ATOM 2065 CE1 PHE A 90 -1.228 -13.982 -7.707 1.00 1.92 C ATOM 2066 CE2 PHE A 90 -0.454 -15.778 -6.333 1.00 1.81 C ATOM 2067 CZ PHE A 90 -0.316 -14.986 -7.456 1.00 1.59 C ATOM 0 H PHE A 90 -5.634 -14.062 -3.447 1.00 0.69 H new ATOM 0 HA PHE A 90 -5.133 -14.741 -6.154 1.00 0.84 H new ATOM 0 HB2 PHE A 90 -3.758 -13.250 -4.694 1.00 0.96 H new ATOM 0 HB3 PHE A 90 -3.269 -14.649 -3.758 1.00 0.96 H new ATOM 0 HD1 PHE A 90 -2.991 -12.985 -7.035 1.00 1.75 H new ATOM 0 HD2 PHE A 90 -1.606 -16.184 -4.585 1.00 1.59 H new ATOM 0 HE1 PHE A 90 -1.121 -13.361 -8.584 1.00 1.92 H new ATOM 0 HE2 PHE A 90 0.259 -16.565 -6.136 1.00 1.81 H new ATOM 0 HZ PHE A 90 0.505 -15.153 -8.137 1.00 1.59 H new ATOM 2077 N GLU A 91 -4.640 -17.081 -3.871 1.00 1.36 N ATOM 2078 CA GLU A 91 -4.609 -18.524 -3.671 1.00 1.84 C ATOM 2079 C GLU A 91 -5.939 -19.141 -4.081 1.00 1.99 C ATOM 2080 O GLU A 91 -6.012 -20.320 -4.426 1.00 2.44 O ATOM 2081 CB GLU A 91 -4.336 -18.867 -2.205 1.00 2.02 C ATOM 2082 CG GLU A 91 -2.944 -18.497 -1.725 1.00 2.25 C ATOM 2083 CD GLU A 91 -1.854 -19.239 -2.468 1.00 2.76 C ATOM 2084 OE1 GLU A 91 -1.824 -20.486 -2.415 1.00 3.28 O ATOM 2085 OE2 GLU A 91 -1.006 -18.577 -3.093 1.00 3.15 O ATOM 0 H GLU A 91 -4.621 -16.536 -3.009 1.00 1.36 H new ATOM 0 HA GLU A 91 -3.807 -18.928 -4.289 1.00 1.84 H new ATOM 0 HB2 GLU A 91 -5.070 -18.356 -1.582 1.00 2.02 H new ATOM 0 HB3 GLU A 91 -4.485 -19.937 -2.061 1.00 2.02 H new ATOM 0 HG2 GLU A 91 -2.795 -17.424 -1.847 1.00 2.25 H new ATOM 0 HG3 GLU A 91 -2.863 -18.711 -0.659 1.00 2.25 H new ATOM 2092 N GLY A 92 -6.990 -18.332 -4.043 1.00 1.77 N ATOM 2093 CA GLY A 92 -8.318 -18.849 -4.272 1.00 2.10 C ATOM 2094 C GLY A 92 -8.779 -19.649 -3.079 1.00 2.32 C ATOM 2095 O GLY A 92 -9.316 -20.747 -3.233 1.00 2.82 O ATOM 0 H GLY A 92 -6.943 -17.330 -3.858 1.00 1.77 H new ATOM 0 HA2 GLY A 92 -9.009 -18.027 -4.457 1.00 2.10 H new ATOM 0 HA3 GLY A 92 -8.323 -19.476 -5.163 1.00 2.10 H new ATOM 2099 N PHE A 93 -8.517 -19.081 -1.897 1.00 2.16 N ATOM 2100 CA PHE A 93 -8.724 -19.729 -0.597 1.00 2.47 C ATOM 2101 C PHE A 93 -9.880 -20.728 -0.589 1.00 2.93 C ATOM 2102 O PHE A 93 -11.036 -20.377 -0.838 1.00 3.33 O ATOM 2103 CB PHE A 93 -8.944 -18.664 0.493 1.00 2.75 C ATOM 2104 CG PHE A 93 -10.184 -17.819 0.313 1.00 3.31 C ATOM 2105 CD1 PHE A 93 -10.253 -16.857 -0.684 1.00 3.95 C ATOM 2106 CD2 PHE A 93 -11.280 -17.991 1.144 1.00 3.92 C ATOM 2107 CE1 PHE A 93 -11.389 -16.086 -0.847 1.00 4.95 C ATOM 2108 CE2 PHE A 93 -12.417 -17.223 0.987 1.00 4.93 C ATOM 2109 CZ PHE A 93 -12.472 -16.269 -0.011 1.00 5.37 C ATOM 0 H PHE A 93 -8.146 -18.134 -1.816 1.00 2.16 H new ATOM 0 HA PHE A 93 -7.819 -20.301 -0.391 1.00 2.47 H new ATOM 0 HB2 PHE A 93 -8.998 -19.161 1.461 1.00 2.75 H new ATOM 0 HB3 PHE A 93 -8.075 -18.007 0.520 1.00 2.75 H new ATOM 0 HD1 PHE A 93 -9.409 -16.708 -1.341 1.00 3.95 H new ATOM 0 HD2 PHE A 93 -11.244 -18.736 1.925 1.00 3.92 H new ATOM 0 HE1 PHE A 93 -11.429 -15.341 -1.628 1.00 4.95 H new ATOM 0 HE2 PHE A 93 -13.262 -17.368 1.644 1.00 4.93 H new ATOM 0 HZ PHE A 93 -13.360 -15.668 -0.137 1.00 5.37 H new ATOM 2119 N PRO A 94 -9.566 -22.005 -0.336 1.00 3.52 N ATOM 2120 CA PRO A 94 -10.568 -23.047 -0.168 1.00 4.40 C ATOM 2121 C PRO A 94 -11.227 -22.940 1.199 1.00 4.49 C ATOM 2122 O PRO A 94 -10.841 -23.636 2.141 1.00 4.82 O ATOM 2123 CB PRO A 94 -9.773 -24.358 -0.296 1.00 5.24 C ATOM 2124 CG PRO A 94 -8.383 -23.957 -0.681 1.00 4.98 C ATOM 2125 CD PRO A 94 -8.210 -22.544 -0.210 1.00 3.95 C ATOM 0 HA PRO A 94 -11.374 -22.978 -0.899 1.00 4.40 H new ATOM 0 HB2 PRO A 94 -9.774 -24.909 0.644 1.00 5.24 H new ATOM 0 HB3 PRO A 94 -10.214 -25.011 -1.049 1.00 5.24 H new ATOM 0 HG2 PRO A 94 -7.646 -24.614 -0.219 1.00 4.98 H new ATOM 0 HG3 PRO A 94 -8.242 -24.028 -1.760 1.00 4.98 H new ATOM 0 HD2 PRO A 94 -7.848 -22.499 0.817 1.00 3.95 H new ATOM 0 HD3 PRO A 94 -7.496 -21.995 -0.824 1.00 3.95 H new ATOM 2133 N ASP A 95 -12.198 -22.033 1.293 1.00 4.54 N ATOM 2134 CA ASP A 95 -12.867 -21.709 2.551 1.00 4.97 C ATOM 2135 C ASP A 95 -11.893 -21.066 3.534 1.00 4.96 C ATOM 2136 O ASP A 95 -10.921 -21.687 3.970 1.00 5.41 O ATOM 2137 CB ASP A 95 -13.525 -22.941 3.178 1.00 5.81 C ATOM 2138 CG ASP A 95 -14.177 -22.624 4.509 1.00 6.62 C ATOM 2139 OD1 ASP A 95 -15.036 -21.716 4.553 1.00 7.06 O ATOM 2140 OD2 ASP A 95 -13.826 -23.276 5.517 1.00 7.10 O ATOM 0 H ASP A 95 -12.544 -21.500 0.495 1.00 4.54 H new ATOM 0 HA ASP A 95 -13.656 -20.993 2.323 1.00 4.97 H new ATOM 0 HB2 ASP A 95 -14.274 -23.339 2.494 1.00 5.81 H new ATOM 0 HB3 ASP A 95 -12.775 -23.720 3.318 1.00 5.81 H new ATOM 2145 N LYS A 96 -12.154 -19.810 3.865 1.00 4.87 N ATOM 2146 CA LYS A 96 -11.303 -19.066 4.778 1.00 5.33 C ATOM 2147 C LYS A 96 -11.375 -19.675 6.171 1.00 5.99 C ATOM 2148 O LYS A 96 -12.341 -19.470 6.907 1.00 6.19 O ATOM 2149 CB LYS A 96 -11.715 -17.592 4.806 1.00 5.44 C ATOM 2150 CG LYS A 96 -10.860 -16.732 5.720 1.00 6.10 C ATOM 2151 CD LYS A 96 -11.198 -15.260 5.565 1.00 6.48 C ATOM 2152 CE LYS A 96 -10.410 -14.396 6.536 1.00 7.03 C ATOM 2153 NZ LYS A 96 -8.939 -14.589 6.403 1.00 7.33 N ATOM 0 H LYS A 96 -12.953 -19.284 3.512 1.00 4.87 H new ATOM 0 HA LYS A 96 -10.272 -19.124 4.429 1.00 5.33 H new ATOM 0 HB2 LYS A 96 -11.664 -17.191 3.794 1.00 5.44 H new ATOM 0 HB3 LYS A 96 -12.755 -17.521 5.125 1.00 5.44 H new ATOM 0 HG2 LYS A 96 -11.012 -17.035 6.756 1.00 6.10 H new ATOM 0 HG3 LYS A 96 -9.806 -16.892 5.492 1.00 6.10 H new ATOM 0 HD2 LYS A 96 -10.987 -14.944 4.543 1.00 6.48 H new ATOM 0 HD3 LYS A 96 -12.265 -15.112 5.730 1.00 6.48 H new ATOM 0 HE2 LYS A 96 -10.653 -13.347 6.365 1.00 7.03 H new ATOM 0 HE3 LYS A 96 -10.714 -14.631 7.556 1.00 7.03 H new ATOM 0 HZ1 LYS A 96 -8.443 -13.773 6.815 1.00 7.33 H new ATOM 0 HZ2 LYS A 96 -8.656 -15.455 6.904 1.00 7.33 H new ATOM 0 HZ3 LYS A 96 -8.690 -14.674 5.397 1.00 7.33 H new ATOM 2167 N GLN A 97 -10.361 -20.448 6.508 1.00 6.62 N ATOM 2168 CA GLN A 97 -10.338 -21.180 7.759 1.00 7.47 C ATOM 2169 C GLN A 97 -9.798 -20.296 8.878 1.00 8.21 C ATOM 2170 O GLN A 97 -8.879 -19.503 8.656 1.00 8.51 O ATOM 2171 CB GLN A 97 -9.472 -22.432 7.599 1.00 8.07 C ATOM 2172 CG GLN A 97 -9.775 -23.526 8.606 1.00 8.68 C ATOM 2173 CD GLN A 97 -8.937 -24.767 8.379 1.00 9.30 C ATOM 2174 OE1 GLN A 97 -7.863 -24.926 8.963 1.00 9.68 O ATOM 2175 NE2 GLN A 97 -9.411 -25.646 7.511 1.00 9.64 N ATOM 0 H GLN A 97 -9.535 -20.586 5.926 1.00 6.62 H new ATOM 0 HA GLN A 97 -11.353 -21.479 8.021 1.00 7.47 H new ATOM 0 HB2 GLN A 97 -9.609 -22.830 6.594 1.00 8.07 H new ATOM 0 HB3 GLN A 97 -8.423 -22.150 7.690 1.00 8.07 H new ATOM 0 HG2 GLN A 97 -9.596 -23.149 9.613 1.00 8.68 H new ATOM 0 HG3 GLN A 97 -10.831 -23.788 8.547 1.00 8.68 H new ATOM 0 HE21 GLN A 97 -10.305 -25.476 7.049 1.00 9.64 H new ATOM 0 HE22 GLN A 97 -8.883 -26.494 7.304 1.00 9.64 H new ATOM 2184 N PRO A 98 -10.383 -20.393 10.083 1.00 8.78 N ATOM 2185 CA PRO A 98 -9.902 -19.663 11.263 1.00 9.71 C ATOM 2186 C PRO A 98 -8.476 -20.062 11.645 1.00 10.51 C ATOM 2187 O PRO A 98 -7.841 -20.871 10.966 1.00 10.91 O ATOM 2188 CB PRO A 98 -10.887 -20.063 12.368 1.00 10.26 C ATOM 2189 CG PRO A 98 -12.092 -20.561 11.649 1.00 9.76 C ATOM 2190 CD PRO A 98 -11.580 -21.194 10.389 1.00 8.82 C ATOM 0 HA PRO A 98 -9.863 -18.588 11.087 1.00 9.71 H new ATOM 0 HB2 PRO A 98 -10.465 -20.834 13.012 1.00 10.26 H new ATOM 0 HB3 PRO A 98 -11.131 -19.213 13.006 1.00 10.26 H new ATOM 0 HG2 PRO A 98 -12.639 -21.283 12.255 1.00 9.76 H new ATOM 0 HG3 PRO A 98 -12.780 -19.745 11.426 1.00 9.76 H new ATOM 0 HD2 PRO A 98 -11.336 -22.246 10.536 1.00 8.82 H new ATOM 0 HD3 PRO A 98 -12.315 -21.146 9.585 1.00 8.82 H new ATOM 2198 N ARG A 99 -7.985 -19.521 12.748 1.00 10.91 N ATOM 2199 CA ARG A 99 -6.598 -19.728 13.146 1.00 11.80 C ATOM 2200 C ARG A 99 -6.464 -20.870 14.151 1.00 12.49 C ATOM 2201 O ARG A 99 -5.490 -20.926 14.905 1.00 13.03 O ATOM 2202 CB ARG A 99 -6.018 -18.432 13.713 1.00 12.07 C ATOM 2203 CG ARG A 99 -5.808 -17.361 12.653 1.00 12.32 C ATOM 2204 CD ARG A 99 -5.297 -16.062 13.253 1.00 12.98 C ATOM 2205 NE ARG A 99 -6.288 -15.431 14.121 1.00 13.45 N ATOM 2206 CZ ARG A 99 -6.625 -14.146 14.054 1.00 14.07 C ATOM 2207 NH1 ARG A 99 -6.051 -13.345 13.162 1.00 14.29 N ATOM 2208 NH2 ARG A 99 -7.541 -13.666 14.884 1.00 14.62 N ATOM 0 H ARG A 99 -8.524 -18.935 13.385 1.00 10.91 H new ATOM 0 HA ARG A 99 -6.030 -20.012 12.260 1.00 11.80 H new ATOM 0 HB2 ARG A 99 -6.687 -18.047 14.483 1.00 12.07 H new ATOM 0 HB3 ARG A 99 -5.066 -18.648 14.197 1.00 12.07 H new ATOM 0 HG2 ARG A 99 -5.098 -17.721 11.909 1.00 12.32 H new ATOM 0 HG3 ARG A 99 -6.748 -17.176 12.133 1.00 12.32 H new ATOM 0 HD2 ARG A 99 -4.389 -16.259 13.823 1.00 12.98 H new ATOM 0 HD3 ARG A 99 -5.027 -15.374 12.452 1.00 12.98 H new ATOM 0 HE ARG A 99 -6.750 -16.011 14.821 1.00 13.45 H new ATOM 0 HH11 ARG A 99 -5.347 -13.715 12.523 1.00 14.29 H new ATOM 0 HH12 ARG A 99 -6.314 -12.361 13.116 1.00 14.29 H new ATOM 0 HH21 ARG A 99 -7.982 -14.281 15.568 1.00 14.62 H new ATOM 0 HH22 ARG A 99 -7.805 -12.682 14.839 1.00 14.62 H new ATOM 2222 N LYS A 100 -7.446 -21.776 14.133 1.00 12.64 N ATOM 2223 CA LYS A 100 -7.418 -23.013 14.922 1.00 13.44 C ATOM 2224 C LYS A 100 -7.624 -22.756 16.415 1.00 14.06 C ATOM 2225 O LYS A 100 -6.925 -21.953 17.028 1.00 14.46 O ATOM 2226 CB LYS A 100 -6.104 -23.774 14.683 1.00 13.66 C ATOM 2227 CG LYS A 100 -5.983 -25.077 15.463 1.00 13.92 C ATOM 2228 CD LYS A 100 -7.073 -26.065 15.088 1.00 14.26 C ATOM 2229 CE LYS A 100 -6.885 -27.398 15.795 1.00 15.02 C ATOM 2230 NZ LYS A 100 -6.880 -27.255 17.275 1.00 15.75 N ATOM 0 H LYS A 100 -8.288 -21.672 13.567 1.00 12.64 H new ATOM 0 HA LYS A 100 -8.253 -23.627 14.585 1.00 13.44 H new ATOM 0 HB2 LYS A 100 -6.012 -23.991 13.619 1.00 13.66 H new ATOM 0 HB3 LYS A 100 -5.269 -23.126 14.949 1.00 13.66 H new ATOM 0 HG2 LYS A 100 -5.007 -25.524 15.274 1.00 13.92 H new ATOM 0 HG3 LYS A 100 -6.035 -24.867 16.531 1.00 13.92 H new ATOM 0 HD2 LYS A 100 -8.047 -25.649 15.346 1.00 14.26 H new ATOM 0 HD3 LYS A 100 -7.069 -26.221 14.009 1.00 14.26 H new ATOM 0 HE2 LYS A 100 -7.684 -28.079 15.501 1.00 15.02 H new ATOM 0 HE3 LYS A 100 -5.947 -27.849 15.472 1.00 15.02 H new ATOM 0 HZ1 LYS A 100 -7.330 -28.088 17.706 1.00 15.75 H new ATOM 0 HZ2 LYS A 100 -5.900 -27.178 17.613 1.00 15.75 H new ATOM 0 HZ3 LYS A 100 -7.407 -26.399 17.543 1.00 15.75 H new ATOM 2244 N LYS A 101 -8.593 -23.452 16.989 1.00 14.28 N ATOM 2245 CA LYS A 101 -8.846 -23.385 18.418 1.00 15.00 C ATOM 2246 C LYS A 101 -9.290 -24.752 18.925 1.00 15.28 C ATOM 2247 O LYS A 101 -10.169 -24.817 19.806 1.00 15.57 O ATOM 2248 CB LYS A 101 -9.907 -22.321 18.732 1.00 15.30 C ATOM 2249 CG LYS A 101 -11.253 -22.567 18.061 1.00 15.68 C ATOM 2250 CD LYS A 101 -12.282 -21.528 18.480 1.00 15.85 C ATOM 2251 CE LYS A 101 -11.945 -20.147 17.942 1.00 16.60 C ATOM 2252 NZ LYS A 101 -12.100 -20.070 16.465 1.00 17.06 N ATOM 2253 OXT LYS A 101 -8.777 -25.768 18.408 1.00 15.35 O ATOM 0 H LYS A 101 -9.221 -24.075 16.481 1.00 14.28 H new ATOM 0 HA LYS A 101 -7.925 -23.100 18.927 1.00 15.00 H new ATOM 0 HB2 LYS A 101 -10.054 -22.277 19.811 1.00 15.30 H new ATOM 0 HB3 LYS A 101 -9.531 -21.346 18.422 1.00 15.30 H new ATOM 0 HG2 LYS A 101 -11.131 -22.544 16.978 1.00 15.68 H new ATOM 0 HG3 LYS A 101 -11.613 -23.563 18.320 1.00 15.68 H new ATOM 0 HD2 LYS A 101 -13.267 -21.827 18.121 1.00 15.85 H new ATOM 0 HD3 LYS A 101 -12.337 -21.490 19.568 1.00 15.85 H new ATOM 0 HE2 LYS A 101 -12.592 -19.407 18.413 1.00 16.60 H new ATOM 0 HE3 LYS A 101 -10.920 -19.893 18.212 1.00 16.60 H new ATOM 0 HZ1 LYS A 101 -12.061 -19.076 16.163 1.00 17.06 H new ATOM 0 HZ2 LYS A 101 -11.332 -20.601 16.007 1.00 17.06 H new ATOM 0 HZ3 LYS A 101 -13.016 -20.479 16.190 1.00 17.06 H new TER 2267 LYS A 101 ATOM 2268 N MET B 1 -3.313 0.729 -21.358 1.00 1.49 N ATOM 2269 CA MET B 1 -3.231 1.017 -19.909 1.00 0.60 C ATOM 2270 C MET B 1 -3.967 -0.060 -19.129 1.00 0.49 C ATOM 2271 O MET B 1 -4.913 -0.665 -19.637 1.00 0.58 O ATOM 2272 CB MET B 1 -3.845 2.384 -19.592 1.00 1.30 C ATOM 2273 CG MET B 1 -3.145 3.551 -20.270 1.00 1.88 C ATOM 2274 SD MET B 1 -3.932 5.134 -19.904 1.00 2.89 S ATOM 2275 CE MET B 1 -3.680 5.238 -18.132 1.00 3.54 C ATOM 0 H1 MET B 1 -2.578 1.267 -21.861 1.00 1.49 H new ATOM 0 H2 MET B 1 -3.168 -0.288 -21.518 1.00 1.49 H new ATOM 0 H3 MET B 1 -4.250 1.006 -21.715 1.00 1.49 H new ATOM 0 HA MET B 1 -2.180 1.029 -19.619 1.00 0.60 H new ATOM 0 HB2 MET B 1 -4.893 2.378 -19.893 1.00 1.30 H new ATOM 0 HB3 MET B 1 -3.824 2.539 -18.513 1.00 1.30 H new ATOM 0 HG2 MET B 1 -2.104 3.583 -19.948 1.00 1.88 H new ATOM 0 HG3 MET B 1 -3.141 3.391 -21.348 1.00 1.88 H new ATOM 0 HE1 MET B 1 -3.795 6.272 -17.808 1.00 3.54 H new ATOM 0 HE2 MET B 1 -4.415 4.614 -17.623 1.00 3.54 H new ATOM 0 HE3 MET B 1 -2.676 4.891 -17.886 1.00 3.54 H new ATOM 2285 N ALA B 2 -3.536 -0.304 -17.905 1.00 0.34 N ATOM 2286 CA ALA B 2 -4.179 -1.287 -17.058 1.00 0.30 C ATOM 2287 C ALA B 2 -5.093 -0.577 -16.074 1.00 0.27 C ATOM 2288 O ALA B 2 -5.028 0.646 -15.947 1.00 0.36 O ATOM 2289 CB ALA B 2 -3.132 -2.114 -16.324 1.00 0.30 C ATOM 0 H ALA B 2 -2.740 0.168 -17.476 1.00 0.34 H new ATOM 0 HA ALA B 2 -4.774 -1.965 -17.670 1.00 0.30 H new ATOM 0 HB1 ALA B 2 -3.628 -2.849 -15.690 1.00 0.30 H new ATOM 0 HB2 ALA B 2 -2.500 -2.627 -17.049 1.00 0.30 H new ATOM 0 HB3 ALA B 2 -2.518 -1.458 -15.707 1.00 0.30 H new ATOM 2295 N CYS B 3 -5.939 -1.327 -15.386 1.00 0.25 N ATOM 2296 CA CYS B 3 -6.766 -0.758 -14.340 1.00 0.23 C ATOM 2297 C CYS B 3 -5.868 -0.377 -13.172 1.00 0.17 C ATOM 2298 O CYS B 3 -5.324 -1.242 -12.482 1.00 0.17 O ATOM 2299 CB CYS B 3 -7.842 -1.749 -13.904 1.00 0.28 C ATOM 2300 SG CYS B 3 -8.897 -2.337 -15.249 1.00 0.39 S ATOM 0 H CYS B 3 -6.069 -2.328 -15.534 1.00 0.25 H new ATOM 0 HA CYS B 3 -7.277 0.130 -14.712 1.00 0.23 H new ATOM 0 HB2 CYS B 3 -7.361 -2.606 -13.433 1.00 0.28 H new ATOM 0 HB3 CYS B 3 -8.468 -1.278 -13.146 1.00 0.28 H new ATOM 0 HG CYS B 3 -9.774 -3.173 -14.779 1.00 0.39 H new ATOM 2306 N PRO B 4 -5.682 0.929 -12.967 1.00 0.16 N ATOM 2307 CA PRO B 4 -4.655 1.469 -12.065 1.00 0.13 C ATOM 2308 C PRO B 4 -4.733 0.945 -10.633 1.00 0.12 C ATOM 2309 O PRO B 4 -3.825 0.247 -10.177 1.00 0.12 O ATOM 2310 CB PRO B 4 -4.948 2.968 -12.098 1.00 0.17 C ATOM 2311 CG PRO B 4 -5.567 3.188 -13.426 1.00 0.20 C ATOM 2312 CD PRO B 4 -6.454 2.003 -13.619 1.00 0.20 C ATOM 0 HA PRO B 4 -3.654 1.181 -12.387 1.00 0.13 H new ATOM 0 HB2 PRO B 4 -5.621 3.260 -11.292 1.00 0.17 H new ATOM 0 HB3 PRO B 4 -4.037 3.555 -11.981 1.00 0.17 H new ATOM 0 HG2 PRO B 4 -6.135 4.118 -13.451 1.00 0.20 H new ATOM 0 HG3 PRO B 4 -4.813 3.253 -14.211 1.00 0.20 H new ATOM 0 HD2 PRO B 4 -7.429 2.144 -13.153 1.00 0.20 H new ATOM 0 HD3 PRO B 4 -6.632 1.794 -14.674 1.00 0.20 H new ATOM 2320 N LEU B 5 -5.820 1.249 -9.938 1.00 0.13 N ATOM 2321 CA LEU B 5 -5.959 0.849 -8.542 1.00 0.14 C ATOM 2322 C LEU B 5 -6.098 -0.665 -8.447 1.00 0.16 C ATOM 2323 O LEU B 5 -5.707 -1.275 -7.458 1.00 0.22 O ATOM 2324 CB LEU B 5 -7.168 1.542 -7.907 1.00 0.15 C ATOM 2325 CG LEU B 5 -6.970 2.078 -6.486 1.00 0.16 C ATOM 2326 CD1 LEU B 5 -6.748 0.945 -5.515 1.00 0.18 C ATOM 2327 CD2 LEU B 5 -5.807 3.054 -6.421 1.00 0.17 C ATOM 0 H LEU B 5 -6.614 1.768 -10.313 1.00 0.13 H new ATOM 0 HA LEU B 5 -5.066 1.153 -7.996 1.00 0.14 H new ATOM 0 HB2 LEU B 5 -7.463 2.372 -8.548 1.00 0.15 H new ATOM 0 HB3 LEU B 5 -8.000 0.837 -7.895 1.00 0.15 H new ATOM 0 HG LEU B 5 -7.879 2.610 -6.206 1.00 0.16 H new ATOM 0 HD11 LEU B 5 -6.610 1.348 -4.512 1.00 0.18 H new ATOM 0 HD12 LEU B 5 -7.614 0.283 -5.524 1.00 0.18 H new ATOM 0 HD13 LEU B 5 -5.860 0.385 -5.807 1.00 0.18 H new ATOM 0 HD21 LEU B 5 -5.693 3.416 -5.399 1.00 0.17 H new ATOM 0 HD22 LEU B 5 -4.892 2.551 -6.732 1.00 0.17 H new ATOM 0 HD23 LEU B 5 -6.001 3.896 -7.085 1.00 0.17 H new ATOM 2339 N GLU B 6 -6.639 -1.262 -9.500 1.00 0.16 N ATOM 2340 CA GLU B 6 -6.789 -2.709 -9.576 1.00 0.20 C ATOM 2341 C GLU B 6 -5.442 -3.396 -9.444 1.00 0.18 C ATOM 2342 O GLU B 6 -5.233 -4.230 -8.558 1.00 0.23 O ATOM 2343 CB GLU B 6 -7.417 -3.103 -10.909 1.00 0.29 C ATOM 2344 CG GLU B 6 -7.489 -4.603 -11.133 1.00 0.43 C ATOM 2345 CD GLU B 6 -7.758 -4.955 -12.578 1.00 0.90 C ATOM 2346 OE1 GLU B 6 -6.785 -5.052 -13.361 1.00 1.79 O ATOM 2347 OE2 GLU B 6 -8.940 -5.121 -12.940 1.00 1.39 O ATOM 0 H GLU B 6 -6.984 -0.762 -10.320 1.00 0.16 H new ATOM 0 HA GLU B 6 -7.435 -3.024 -8.756 1.00 0.20 H new ATOM 0 HB2 GLU B 6 -8.424 -2.688 -10.962 1.00 0.29 H new ATOM 0 HB3 GLU B 6 -6.843 -2.651 -11.718 1.00 0.29 H new ATOM 0 HG2 GLU B 6 -6.551 -5.060 -10.819 1.00 0.43 H new ATOM 0 HG3 GLU B 6 -8.275 -5.024 -10.506 1.00 0.43 H new ATOM 2354 N LYS B 7 -4.526 -3.024 -10.328 1.00 0.16 N ATOM 2355 CA LYS B 7 -3.239 -3.675 -10.395 1.00 0.18 C ATOM 2356 C LYS B 7 -2.408 -3.412 -9.156 1.00 0.17 C ATOM 2357 O LYS B 7 -1.555 -4.215 -8.816 1.00 0.19 O ATOM 2358 CB LYS B 7 -2.492 -3.276 -11.670 1.00 0.25 C ATOM 2359 CG LYS B 7 -2.881 -4.142 -12.854 1.00 0.41 C ATOM 2360 CD LYS B 7 -2.388 -5.568 -12.662 1.00 0.90 C ATOM 2361 CE LYS B 7 -3.254 -6.579 -13.389 1.00 0.84 C ATOM 2362 NZ LYS B 7 -4.655 -6.606 -12.871 1.00 1.18 N ATOM 0 H LYS B 7 -4.657 -2.273 -11.006 1.00 0.16 H new ATOM 0 HA LYS B 7 -3.415 -4.750 -10.433 1.00 0.18 H new ATOM 0 HB2 LYS B 7 -2.702 -2.232 -11.901 1.00 0.25 H new ATOM 0 HB3 LYS B 7 -1.418 -3.355 -11.500 1.00 0.25 H new ATOM 0 HG2 LYS B 7 -3.965 -4.139 -12.972 1.00 0.41 H new ATOM 0 HG3 LYS B 7 -2.459 -3.726 -13.769 1.00 0.41 H new ATOM 0 HD2 LYS B 7 -1.362 -5.647 -13.021 1.00 0.90 H new ATOM 0 HD3 LYS B 7 -2.372 -5.805 -11.598 1.00 0.90 H new ATOM 0 HE2 LYS B 7 -3.267 -6.343 -14.453 1.00 0.84 H new ATOM 0 HE3 LYS B 7 -2.813 -7.571 -13.288 1.00 0.84 H new ATOM 0 HZ1 LYS B 7 -5.112 -7.497 -13.151 1.00 1.18 H new ATOM 0 HZ2 LYS B 7 -4.643 -6.535 -11.834 1.00 1.18 H new ATOM 0 HZ3 LYS B 7 -5.187 -5.805 -13.267 1.00 1.18 H new ATOM 2376 N ALA B 8 -2.685 -2.314 -8.472 1.00 0.17 N ATOM 2377 CA ALA B 8 -1.991 -1.994 -7.231 1.00 0.17 C ATOM 2378 C ALA B 8 -1.990 -3.188 -6.277 1.00 0.17 C ATOM 2379 O ALA B 8 -0.933 -3.609 -5.816 1.00 0.22 O ATOM 2380 CB ALA B 8 -2.617 -0.778 -6.565 1.00 0.18 C ATOM 0 H ALA B 8 -3.385 -1.628 -8.753 1.00 0.17 H new ATOM 0 HA ALA B 8 -0.955 -1.759 -7.477 1.00 0.17 H new ATOM 0 HB1 ALA B 8 -2.085 -0.555 -5.640 1.00 0.18 H new ATOM 0 HB2 ALA B 8 -2.552 0.078 -7.236 1.00 0.18 H new ATOM 0 HB3 ALA B 8 -3.663 -0.984 -6.341 1.00 0.18 H new ATOM 2386 N LEU B 9 -3.164 -3.759 -6.012 1.00 0.13 N ATOM 2387 CA LEU B 9 -3.255 -4.885 -5.080 1.00 0.12 C ATOM 2388 C LEU B 9 -2.846 -6.187 -5.763 1.00 0.14 C ATOM 2389 O LEU B 9 -2.280 -7.077 -5.128 1.00 0.18 O ATOM 2390 CB LEU B 9 -4.665 -5.040 -4.481 1.00 0.13 C ATOM 2391 CG LEU B 9 -5.267 -3.789 -3.825 1.00 0.13 C ATOM 2392 CD1 LEU B 9 -4.236 -3.082 -2.980 1.00 0.15 C ATOM 2393 CD2 LEU B 9 -5.843 -2.833 -4.851 1.00 0.13 C ATOM 0 H LEU B 9 -4.052 -3.468 -6.421 1.00 0.13 H new ATOM 0 HA LEU B 9 -2.567 -4.668 -4.263 1.00 0.12 H new ATOM 0 HB2 LEU B 9 -5.339 -5.369 -5.272 1.00 0.13 H new ATOM 0 HB3 LEU B 9 -4.635 -5.836 -3.737 1.00 0.13 H new ATOM 0 HG LEU B 9 -6.084 -4.123 -3.186 1.00 0.13 H new ATOM 0 HD11 LEU B 9 -4.683 -2.198 -2.524 1.00 0.15 H new ATOM 0 HD12 LEU B 9 -3.883 -3.755 -2.198 1.00 0.15 H new ATOM 0 HD13 LEU B 9 -3.396 -2.782 -3.606 1.00 0.15 H new ATOM 0 HD21 LEU B 9 -6.258 -1.962 -4.344 1.00 0.13 H new ATOM 0 HD22 LEU B 9 -5.055 -2.514 -5.534 1.00 0.13 H new ATOM 0 HD23 LEU B 9 -6.630 -3.335 -5.414 1.00 0.13 H new ATOM 2405 N ASP B 10 -3.139 -6.298 -7.059 1.00 0.14 N ATOM 2406 CA ASP B 10 -2.742 -7.474 -7.840 1.00 0.16 C ATOM 2407 C ASP B 10 -1.241 -7.678 -7.779 1.00 0.15 C ATOM 2408 O ASP B 10 -0.752 -8.743 -7.404 1.00 0.19 O ATOM 2409 CB ASP B 10 -3.129 -7.326 -9.314 1.00 0.20 C ATOM 2410 CG ASP B 10 -4.548 -7.742 -9.622 1.00 0.51 C ATOM 2411 OD1 ASP B 10 -4.897 -8.913 -9.371 1.00 1.19 O ATOM 2412 OD2 ASP B 10 -5.305 -6.914 -10.165 1.00 1.22 O ATOM 0 H ASP B 10 -3.648 -5.592 -7.590 1.00 0.14 H new ATOM 0 HA ASP B 10 -3.263 -8.327 -7.405 1.00 0.16 H new ATOM 0 HB2 ASP B 10 -2.993 -6.286 -9.612 1.00 0.20 H new ATOM 0 HB3 ASP B 10 -2.447 -7.923 -9.920 1.00 0.20 H new ATOM 2417 N VAL B 11 -0.517 -6.638 -8.144 1.00 0.15 N ATOM 2418 CA VAL B 11 0.924 -6.714 -8.279 1.00 0.16 C ATOM 2419 C VAL B 11 1.596 -6.782 -6.916 1.00 0.16 C ATOM 2420 O VAL B 11 2.715 -7.276 -6.797 1.00 0.20 O ATOM 2421 CB VAL B 11 1.460 -5.516 -9.079 1.00 0.18 C ATOM 2422 CG1 VAL B 11 0.662 -5.361 -10.368 1.00 0.21 C ATOM 2423 CG2 VAL B 11 1.414 -4.240 -8.250 1.00 0.17 C ATOM 0 H VAL B 11 -0.909 -5.720 -8.354 1.00 0.15 H new ATOM 0 HA VAL B 11 1.161 -7.628 -8.823 1.00 0.16 H new ATOM 0 HB VAL B 11 2.504 -5.702 -9.332 1.00 0.18 H new ATOM 0 HG11 VAL B 11 1.045 -4.511 -10.933 1.00 0.21 H new ATOM 0 HG12 VAL B 11 0.758 -6.267 -10.966 1.00 0.21 H new ATOM 0 HG13 VAL B 11 -0.388 -5.194 -10.128 1.00 0.21 H new ATOM 0 HG21 VAL B 11 1.799 -3.408 -8.840 1.00 0.17 H new ATOM 0 HG22 VAL B 11 0.384 -4.032 -7.959 1.00 0.17 H new ATOM 0 HG23 VAL B 11 2.026 -4.364 -7.356 1.00 0.17 H new ATOM 2433 N MET B 12 0.897 -6.303 -5.895 1.00 0.16 N ATOM 2434 CA MET B 12 1.378 -6.388 -4.524 1.00 0.20 C ATOM 2435 C MET B 12 1.710 -7.818 -4.153 1.00 0.23 C ATOM 2436 O MET B 12 2.737 -8.072 -3.546 1.00 0.39 O ATOM 2437 CB MET B 12 0.339 -5.836 -3.564 1.00 0.27 C ATOM 2438 CG MET B 12 0.487 -4.352 -3.323 1.00 0.16 C ATOM 2439 SD MET B 12 -0.909 -3.656 -2.434 1.00 0.78 S ATOM 2440 CE MET B 12 -0.236 -2.076 -1.975 1.00 0.19 C ATOM 0 H MET B 12 -0.011 -5.849 -5.993 1.00 0.16 H new ATOM 0 HA MET B 12 2.287 -5.791 -4.450 1.00 0.20 H new ATOM 0 HB2 MET B 12 -0.656 -6.037 -3.960 1.00 0.27 H new ATOM 0 HB3 MET B 12 0.416 -6.362 -2.613 1.00 0.27 H new ATOM 0 HG2 MET B 12 1.401 -4.168 -2.758 1.00 0.16 H new ATOM 0 HG3 MET B 12 0.595 -3.841 -4.280 1.00 0.16 H new ATOM 0 HE1 MET B 12 -0.981 -1.513 -1.412 1.00 0.19 H new ATOM 0 HE2 MET B 12 0.650 -2.223 -1.358 1.00 0.19 H new ATOM 0 HE3 MET B 12 0.035 -1.521 -2.873 1.00 0.19 H new ATOM 2450 N VAL B 13 0.832 -8.747 -4.513 1.00 0.18 N ATOM 2451 CA VAL B 13 1.085 -10.158 -4.256 1.00 0.19 C ATOM 2452 C VAL B 13 1.786 -10.838 -5.434 1.00 0.19 C ATOM 2453 O VAL B 13 2.485 -11.833 -5.253 1.00 0.25 O ATOM 2454 CB VAL B 13 -0.204 -10.921 -3.885 1.00 0.20 C ATOM 2455 CG1 VAL B 13 -0.665 -10.513 -2.497 1.00 0.21 C ATOM 2456 CG2 VAL B 13 -1.309 -10.674 -4.897 1.00 0.22 C ATOM 0 H VAL B 13 -0.054 -8.551 -4.980 1.00 0.18 H new ATOM 0 HA VAL B 13 1.755 -10.195 -3.397 1.00 0.19 H new ATOM 0 HB VAL B 13 0.022 -11.987 -3.893 1.00 0.20 H new ATOM 0 HG11 VAL B 13 -1.575 -11.056 -2.242 1.00 0.21 H new ATOM 0 HG12 VAL B 13 0.113 -10.749 -1.771 1.00 0.21 H new ATOM 0 HG13 VAL B 13 -0.864 -9.442 -2.480 1.00 0.21 H new ATOM 0 HG21 VAL B 13 -2.201 -11.227 -4.604 1.00 0.22 H new ATOM 0 HG22 VAL B 13 -1.538 -9.609 -4.933 1.00 0.22 H new ATOM 0 HG23 VAL B 13 -0.982 -11.009 -5.882 1.00 0.22 H new ATOM 2466 N SER B 14 1.622 -10.288 -6.633 1.00 0.18 N ATOM 2467 CA SER B 14 2.246 -10.862 -7.822 1.00 0.21 C ATOM 2468 C SER B 14 3.760 -10.623 -7.821 1.00 0.23 C ATOM 2469 O SER B 14 4.544 -11.573 -7.794 1.00 0.26 O ATOM 2470 CB SER B 14 1.616 -10.282 -9.089 1.00 0.23 C ATOM 2471 OG SER B 14 0.226 -10.562 -9.143 1.00 1.12 O ATOM 0 H SER B 14 1.066 -9.451 -6.808 1.00 0.18 H new ATOM 0 HA SER B 14 2.074 -11.938 -7.806 1.00 0.21 H new ATOM 0 HB2 SER B 14 1.774 -9.204 -9.117 1.00 0.23 H new ATOM 0 HB3 SER B 14 2.108 -10.699 -9.967 1.00 0.23 H new ATOM 0 HG SER B 14 -0.221 -10.150 -8.374 1.00 1.12 H new ATOM 2477 N THR B 15 4.165 -9.354 -7.820 1.00 0.24 N ATOM 2478 CA THR B 15 5.580 -8.994 -7.789 1.00 0.26 C ATOM 2479 C THR B 15 6.206 -9.466 -6.475 1.00 0.28 C ATOM 2480 O THR B 15 7.405 -9.742 -6.395 1.00 0.31 O ATOM 2481 CB THR B 15 5.754 -7.467 -7.953 1.00 0.27 C ATOM 2482 OG1 THR B 15 5.089 -7.034 -9.150 1.00 0.33 O ATOM 2483 CG2 THR B 15 7.221 -7.076 -8.027 1.00 0.25 C ATOM 0 H THR B 15 3.530 -8.556 -7.840 1.00 0.24 H new ATOM 0 HA THR B 15 6.088 -9.485 -8.619 1.00 0.26 H new ATOM 0 HB THR B 15 5.316 -6.984 -7.080 1.00 0.27 H new ATOM 0 HG1 THR B 15 5.634 -6.355 -9.600 1.00 0.33 H new ATOM 0 HG21 THR B 15 7.304 -5.995 -8.142 1.00 0.25 H new ATOM 0 HG22 THR B 15 7.726 -7.383 -7.111 1.00 0.25 H new ATOM 0 HG23 THR B 15 7.686 -7.569 -8.881 1.00 0.25 H new ATOM 2491 N PHE B 16 5.359 -9.572 -5.462 1.00 0.30 N ATOM 2492 CA PHE B 16 5.728 -10.126 -4.167 1.00 0.36 C ATOM 2493 C PHE B 16 6.396 -11.488 -4.325 1.00 0.40 C ATOM 2494 O PHE B 16 7.580 -11.643 -4.027 1.00 0.51 O ATOM 2495 CB PHE B 16 4.465 -10.259 -3.322 1.00 0.44 C ATOM 2496 CG PHE B 16 4.664 -10.748 -1.923 1.00 0.34 C ATOM 2497 CD1 PHE B 16 5.458 -10.051 -1.034 1.00 1.21 C ATOM 2498 CD2 PHE B 16 4.027 -11.896 -1.491 1.00 1.27 C ATOM 2499 CE1 PHE B 16 5.619 -10.493 0.261 1.00 1.38 C ATOM 2500 CE2 PHE B 16 4.180 -12.341 -0.197 1.00 1.42 C ATOM 2501 CZ PHE B 16 4.977 -11.638 0.680 1.00 0.97 C ATOM 0 H PHE B 16 4.385 -9.273 -5.516 1.00 0.30 H new ATOM 0 HA PHE B 16 6.441 -9.461 -3.680 1.00 0.36 H new ATOM 0 HB2 PHE B 16 3.975 -9.286 -3.280 1.00 0.44 H new ATOM 0 HB3 PHE B 16 3.781 -10.939 -3.830 1.00 0.44 H new ATOM 0 HD1 PHE B 16 5.958 -9.150 -1.357 1.00 1.21 H new ATOM 0 HD2 PHE B 16 3.402 -12.450 -2.176 1.00 1.27 H new ATOM 0 HE1 PHE B 16 6.247 -9.943 0.946 1.00 1.38 H new ATOM 0 HE2 PHE B 16 3.677 -13.239 0.130 1.00 1.42 H new ATOM 0 HZ PHE B 16 5.099 -11.984 1.696 1.00 0.97 H new ATOM 2511 N HIS B 17 5.640 -12.462 -4.828 1.00 0.41 N ATOM 2512 CA HIS B 17 6.141 -13.830 -4.975 1.00 0.51 C ATOM 2513 C HIS B 17 7.209 -13.899 -6.058 1.00 0.45 C ATOM 2514 O HIS B 17 8.037 -14.807 -6.072 1.00 0.51 O ATOM 2515 CB HIS B 17 5.006 -14.800 -5.320 1.00 0.68 C ATOM 2516 CG HIS B 17 3.902 -14.844 -4.308 1.00 1.09 C ATOM 2517 ND1 HIS B 17 4.118 -15.038 -2.960 1.00 2.16 N ATOM 2518 CD2 HIS B 17 2.563 -14.706 -4.455 1.00 1.26 C ATOM 2519 CE1 HIS B 17 2.961 -15.016 -2.325 1.00 2.82 C ATOM 2520 NE2 HIS B 17 2.004 -14.817 -3.207 1.00 2.30 N ATOM 0 H HIS B 17 4.678 -12.331 -5.141 1.00 0.41 H new ATOM 0 HA HIS B 17 6.577 -14.122 -4.020 1.00 0.51 H new ATOM 0 HB2 HIS B 17 4.586 -14.520 -6.286 1.00 0.68 H new ATOM 0 HB3 HIS B 17 5.421 -15.802 -5.431 1.00 0.68 H new ATOM 0 HD1 HIS B 17 5.029 -15.177 -2.522 1.00 2.16 H new ATOM 0 HD2 HIS B 17 2.034 -14.540 -5.382 1.00 1.26 H new ATOM 0 HE1 HIS B 17 2.823 -15.140 -1.261 1.00 2.82 H new ATOM 0 HE2 HIS B 17 1.008 -14.755 -2.996 1.00 2.30 H new ATOM 2529 N LYS B 18 7.175 -12.925 -6.956 1.00 0.42 N ATOM 2530 CA LYS B 18 8.117 -12.840 -8.065 1.00 0.46 C ATOM 2531 C LYS B 18 9.565 -12.779 -7.571 1.00 0.45 C ATOM 2532 O LYS B 18 10.450 -13.410 -8.145 1.00 0.62 O ATOM 2533 CB LYS B 18 7.778 -11.605 -8.905 1.00 0.55 C ATOM 2534 CG LYS B 18 8.712 -11.342 -10.071 1.00 0.76 C ATOM 2535 CD LYS B 18 8.318 -10.063 -10.793 1.00 0.71 C ATOM 2536 CE LYS B 18 9.315 -9.690 -11.873 1.00 1.40 C ATOM 2537 NZ LYS B 18 8.982 -8.386 -12.503 1.00 1.67 N ATOM 0 H LYS B 18 6.491 -12.168 -6.937 1.00 0.42 H new ATOM 0 HA LYS B 18 8.028 -13.739 -8.675 1.00 0.46 H new ATOM 0 HB2 LYS B 18 6.764 -11.714 -9.290 1.00 0.55 H new ATOM 0 HB3 LYS B 18 7.780 -10.731 -8.254 1.00 0.55 H new ATOM 0 HG2 LYS B 18 9.738 -11.262 -9.712 1.00 0.76 H new ATOM 0 HG3 LYS B 18 8.682 -12.182 -10.765 1.00 0.76 H new ATOM 0 HD2 LYS B 18 7.331 -10.187 -11.238 1.00 0.71 H new ATOM 0 HD3 LYS B 18 8.242 -9.249 -10.073 1.00 0.71 H new ATOM 0 HE2 LYS B 18 10.316 -9.641 -11.443 1.00 1.40 H new ATOM 0 HE3 LYS B 18 9.333 -10.468 -12.636 1.00 1.40 H new ATOM 0 HZ1 LYS B 18 9.854 -7.930 -12.839 1.00 1.67 H new ATOM 0 HZ2 LYS B 18 8.341 -8.542 -13.307 1.00 1.67 H new ATOM 0 HZ3 LYS B 18 8.517 -7.772 -11.804 1.00 1.67 H new ATOM 2551 N TYR B 19 9.803 -12.027 -6.502 1.00 0.39 N ATOM 2552 CA TYR B 19 11.156 -11.874 -5.970 1.00 0.43 C ATOM 2553 C TYR B 19 11.352 -12.654 -4.674 1.00 0.50 C ATOM 2554 O TYR B 19 12.423 -13.201 -4.444 1.00 0.74 O ATOM 2555 CB TYR B 19 11.484 -10.395 -5.759 1.00 0.46 C ATOM 2556 CG TYR B 19 11.586 -9.621 -7.053 1.00 0.41 C ATOM 2557 CD1 TYR B 19 12.786 -9.549 -7.752 1.00 1.17 C ATOM 2558 CD2 TYR B 19 10.479 -8.975 -7.587 1.00 1.17 C ATOM 2559 CE1 TYR B 19 12.875 -8.858 -8.946 1.00 1.21 C ATOM 2560 CE2 TYR B 19 10.564 -8.279 -8.774 1.00 1.17 C ATOM 2561 CZ TYR B 19 11.761 -8.226 -9.450 1.00 0.50 C ATOM 2562 OH TYR B 19 11.840 -7.547 -10.641 1.00 0.61 O ATOM 0 H TYR B 19 9.084 -11.517 -5.989 1.00 0.39 H new ATOM 0 HA TYR B 19 11.844 -12.288 -6.707 1.00 0.43 H new ATOM 0 HB2 TYR B 19 10.715 -9.944 -5.132 1.00 0.46 H new ATOM 0 HB3 TYR B 19 12.426 -10.311 -5.217 1.00 0.46 H new ATOM 0 HD1 TYR B 19 13.662 -10.041 -7.356 1.00 1.17 H new ATOM 0 HD2 TYR B 19 9.535 -9.019 -7.064 1.00 1.17 H new ATOM 0 HE1 TYR B 19 13.813 -8.814 -9.480 1.00 1.21 H new ATOM 0 HE2 TYR B 19 9.694 -7.777 -9.172 1.00 1.17 H new ATOM 0 HH TYR B 19 10.966 -7.159 -10.855 1.00 0.61 H new ATOM 2572 N SER B 20 10.327 -12.724 -3.832 1.00 0.41 N ATOM 2573 CA SER B 20 10.453 -13.449 -2.571 1.00 0.48 C ATOM 2574 C SER B 20 10.672 -14.936 -2.831 1.00 0.57 C ATOM 2575 O SER B 20 11.548 -15.557 -2.232 1.00 0.70 O ATOM 2576 CB SER B 20 9.219 -13.238 -1.693 1.00 0.49 C ATOM 2577 OG SER B 20 8.035 -13.576 -2.388 1.00 0.53 O ATOM 0 H SER B 20 9.415 -12.297 -3.994 1.00 0.41 H new ATOM 0 HA SER B 20 11.320 -13.056 -2.039 1.00 0.48 H new ATOM 0 HB2 SER B 20 9.302 -13.846 -0.792 1.00 0.49 H new ATOM 0 HB3 SER B 20 9.171 -12.198 -1.372 1.00 0.49 H new ATOM 0 HG SER B 20 7.668 -12.775 -2.818 1.00 0.53 H new ATOM 2583 N GLY B 21 9.894 -15.484 -3.764 1.00 0.57 N ATOM 2584 CA GLY B 21 9.998 -16.891 -4.111 1.00 0.68 C ATOM 2585 C GLY B 21 11.281 -17.237 -4.846 1.00 0.71 C ATOM 2586 O GLY B 21 11.460 -18.372 -5.291 1.00 0.86 O ATOM 0 H GLY B 21 9.187 -14.971 -4.290 1.00 0.57 H new ATOM 0 HA2 GLY B 21 9.937 -17.488 -3.201 1.00 0.68 H new ATOM 0 HA3 GLY B 21 9.146 -17.169 -4.732 1.00 0.68 H new ATOM 2590 N LYS B 22 12.168 -16.263 -4.989 1.00 0.73 N ATOM 2591 CA LYS B 22 13.480 -16.501 -5.567 1.00 0.79 C ATOM 2592 C LYS B 22 14.378 -17.145 -4.512 1.00 0.88 C ATOM 2593 O LYS B 22 15.363 -17.820 -4.825 1.00 0.96 O ATOM 2594 CB LYS B 22 14.072 -15.183 -6.072 1.00 0.81 C ATOM 2595 CG LYS B 22 15.367 -15.334 -6.848 1.00 1.23 C ATOM 2596 CD LYS B 22 15.831 -13.998 -7.406 1.00 1.30 C ATOM 2597 CE LYS B 22 14.883 -13.468 -8.467 1.00 1.75 C ATOM 2598 NZ LYS B 22 15.427 -12.259 -9.139 1.00 2.10 N ATOM 0 H LYS B 22 12.000 -15.296 -4.711 1.00 0.73 H new ATOM 0 HA LYS B 22 13.399 -17.178 -6.418 1.00 0.79 H new ATOM 0 HB2 LYS B 22 13.337 -14.689 -6.708 1.00 0.81 H new ATOM 0 HB3 LYS B 22 14.248 -14.527 -5.219 1.00 0.81 H new ATOM 0 HG2 LYS B 22 16.138 -15.747 -6.198 1.00 1.23 H new ATOM 0 HG3 LYS B 22 15.225 -16.043 -7.664 1.00 1.23 H new ATOM 0 HD2 LYS B 22 15.910 -13.274 -6.595 1.00 1.30 H new ATOM 0 HD3 LYS B 22 16.828 -14.109 -7.833 1.00 1.30 H new ATOM 0 HE2 LYS B 22 14.698 -14.244 -9.209 1.00 1.75 H new ATOM 0 HE3 LYS B 22 13.923 -13.229 -8.010 1.00 1.75 H new ATOM 0 HZ1 LYS B 22 14.643 -11.692 -9.520 1.00 2.10 H new ATOM 0 HZ2 LYS B 22 15.963 -11.692 -8.452 1.00 2.10 H new ATOM 0 HZ3 LYS B 22 16.056 -12.547 -9.916 1.00 2.10 H new ATOM 2612 N GLU B 23 14.006 -16.940 -3.257 1.00 0.97 N ATOM 2613 CA GLU B 23 14.660 -17.584 -2.130 1.00 1.14 C ATOM 2614 C GLU B 23 13.917 -18.872 -1.768 1.00 1.25 C ATOM 2615 O GLU B 23 13.011 -19.288 -2.491 1.00 1.57 O ATOM 2616 CB GLU B 23 14.694 -16.622 -0.940 1.00 1.46 C ATOM 2617 CG GLU B 23 15.726 -15.518 -1.083 1.00 1.92 C ATOM 2618 CD GLU B 23 17.141 -16.051 -1.049 1.00 2.47 C ATOM 2619 OE1 GLU B 23 17.586 -16.496 0.030 1.00 3.11 O ATOM 2620 OE2 GLU B 23 17.814 -16.042 -2.100 1.00 2.95 O ATOM 0 H GLU B 23 13.240 -16.321 -2.992 1.00 0.97 H new ATOM 0 HA GLU B 23 15.685 -17.842 -2.398 1.00 1.14 H new ATOM 0 HB2 GLU B 23 13.708 -16.173 -0.817 1.00 1.46 H new ATOM 0 HB3 GLU B 23 14.902 -17.187 -0.032 1.00 1.46 H new ATOM 0 HG2 GLU B 23 15.561 -14.988 -2.021 1.00 1.92 H new ATOM 0 HG3 GLU B 23 15.593 -14.793 -0.280 1.00 1.92 H new ATOM 2627 N GLY B 24 14.312 -19.514 -0.671 1.00 1.31 N ATOM 2628 CA GLY B 24 13.616 -20.705 -0.221 1.00 1.56 C ATOM 2629 C GLY B 24 12.198 -20.399 0.219 1.00 1.33 C ATOM 2630 O GLY B 24 11.287 -21.206 0.025 1.00 1.43 O ATOM 0 H GLY B 24 15.100 -19.231 -0.088 1.00 1.31 H new ATOM 0 HA2 GLY B 24 13.596 -21.440 -1.026 1.00 1.56 H new ATOM 0 HA3 GLY B 24 14.164 -21.155 0.607 1.00 1.56 H new ATOM 2634 N ASP B 25 12.017 -19.230 0.816 1.00 1.16 N ATOM 2635 CA ASP B 25 10.696 -18.759 1.211 1.00 1.06 C ATOM 2636 C ASP B 25 10.022 -18.109 0.004 1.00 0.90 C ATOM 2637 O ASP B 25 10.669 -17.889 -1.018 1.00 0.91 O ATOM 2638 CB ASP B 25 10.806 -17.765 2.373 1.00 1.15 C ATOM 2639 CG ASP B 25 9.495 -17.586 3.116 1.00 1.33 C ATOM 2640 OD1 ASP B 25 8.606 -16.881 2.602 1.00 1.82 O ATOM 2641 OD2 ASP B 25 9.350 -18.159 4.219 1.00 1.98 O ATOM 0 H ASP B 25 12.775 -18.585 1.039 1.00 1.16 H new ATOM 0 HA ASP B 25 10.093 -19.601 1.551 1.00 1.06 H new ATOM 0 HB2 ASP B 25 11.570 -18.110 3.070 1.00 1.15 H new ATOM 0 HB3 ASP B 25 11.137 -16.800 1.990 1.00 1.15 H new ATOM 2646 N LYS B 26 8.733 -17.827 0.096 1.00 0.95 N ATOM 2647 CA LYS B 26 8.009 -17.254 -1.033 1.00 0.88 C ATOM 2648 C LYS B 26 7.089 -16.103 -0.611 1.00 0.83 C ATOM 2649 O LYS B 26 6.281 -15.619 -1.410 1.00 0.88 O ATOM 2650 CB LYS B 26 7.234 -18.352 -1.773 1.00 1.08 C ATOM 2651 CG LYS B 26 6.485 -19.317 -0.863 1.00 1.43 C ATOM 2652 CD LYS B 26 5.108 -18.805 -0.486 1.00 1.59 C ATOM 2653 CE LYS B 26 4.139 -18.907 -1.654 1.00 1.81 C ATOM 2654 NZ LYS B 26 2.734 -18.705 -1.224 1.00 2.62 N ATOM 0 H LYS B 26 8.168 -17.983 0.931 1.00 0.95 H new ATOM 0 HA LYS B 26 8.742 -16.824 -1.715 1.00 0.88 H new ATOM 0 HB2 LYS B 26 6.520 -17.882 -2.450 1.00 1.08 H new ATOM 0 HB3 LYS B 26 7.931 -18.920 -2.389 1.00 1.08 H new ATOM 0 HG2 LYS B 26 6.387 -20.281 -1.362 1.00 1.43 H new ATOM 0 HG3 LYS B 26 7.068 -19.485 0.043 1.00 1.43 H new ATOM 0 HD2 LYS B 26 4.724 -19.377 0.358 1.00 1.59 H new ATOM 0 HD3 LYS B 26 5.180 -17.767 -0.161 1.00 1.59 H new ATOM 0 HE2 LYS B 26 4.399 -18.164 -2.408 1.00 1.81 H new ATOM 0 HE3 LYS B 26 4.238 -19.885 -2.124 1.00 1.81 H new ATOM 0 HZ1 LYS B 26 2.104 -18.782 -2.048 1.00 2.62 H new ATOM 0 HZ2 LYS B 26 2.478 -19.430 -0.523 1.00 2.62 H new ATOM 0 HZ3 LYS B 26 2.633 -17.761 -0.798 1.00 2.62 H new ATOM 2668 N PHE B 27 7.193 -15.687 0.645 1.00 0.79 N ATOM 2669 CA PHE B 27 6.499 -14.495 1.130 1.00 0.79 C ATOM 2670 C PHE B 27 7.450 -13.618 1.932 1.00 0.71 C ATOM 2671 O PHE B 27 7.036 -12.665 2.591 1.00 0.70 O ATOM 2672 CB PHE B 27 5.260 -14.874 1.960 1.00 0.99 C ATOM 2673 CG PHE B 27 5.525 -15.818 3.101 1.00 0.72 C ATOM 2674 CD1 PHE B 27 6.086 -15.362 4.284 1.00 1.64 C ATOM 2675 CD2 PHE B 27 5.198 -17.162 2.993 1.00 1.53 C ATOM 2676 CE1 PHE B 27 6.319 -16.228 5.332 1.00 2.41 C ATOM 2677 CE2 PHE B 27 5.428 -18.030 4.041 1.00 2.34 C ATOM 2678 CZ PHE B 27 5.990 -17.563 5.213 1.00 2.60 C ATOM 0 H PHE B 27 7.755 -16.160 1.353 1.00 0.79 H new ATOM 0 HA PHE B 27 6.154 -13.925 0.267 1.00 0.79 H new ATOM 0 HB2 PHE B 27 4.815 -13.962 2.358 1.00 0.99 H new ATOM 0 HB3 PHE B 27 4.522 -15.326 1.298 1.00 0.99 H new ATOM 0 HD1 PHE B 27 6.343 -14.318 4.386 1.00 1.64 H new ATOM 0 HD2 PHE B 27 4.759 -17.533 2.079 1.00 1.53 H new ATOM 0 HE1 PHE B 27 6.760 -15.861 6.247 1.00 2.41 H new ATOM 0 HE2 PHE B 27 5.169 -19.074 3.945 1.00 2.34 H new ATOM 0 HZ PHE B 27 6.172 -18.241 6.034 1.00 2.60 H new ATOM 2688 N LYS B 28 8.727 -13.943 1.870 1.00 0.69 N ATOM 2689 CA LYS B 28 9.728 -13.208 2.615 1.00 0.68 C ATOM 2690 C LYS B 28 10.821 -12.694 1.677 1.00 0.50 C ATOM 2691 O LYS B 28 11.491 -13.479 1.005 1.00 0.54 O ATOM 2692 CB LYS B 28 10.322 -14.118 3.697 1.00 0.92 C ATOM 2693 CG LYS B 28 11.264 -13.413 4.651 1.00 0.93 C ATOM 2694 CD LYS B 28 10.524 -12.481 5.599 1.00 0.98 C ATOM 2695 CE LYS B 28 9.860 -13.233 6.737 1.00 1.51 C ATOM 2696 NZ LYS B 28 10.859 -13.821 7.664 1.00 1.98 N ATOM 0 H LYS B 28 9.095 -14.712 1.310 1.00 0.69 H new ATOM 0 HA LYS B 28 9.264 -12.344 3.092 1.00 0.68 H new ATOM 0 HB2 LYS B 28 9.508 -14.562 4.270 1.00 0.92 H new ATOM 0 HB3 LYS B 28 10.856 -14.937 3.215 1.00 0.92 H new ATOM 0 HG2 LYS B 28 11.816 -14.154 5.229 1.00 0.93 H new ATOM 0 HG3 LYS B 28 11.997 -12.843 4.081 1.00 0.93 H new ATOM 0 HD2 LYS B 28 11.223 -11.750 6.007 1.00 0.98 H new ATOM 0 HD3 LYS B 28 9.769 -11.925 5.044 1.00 0.98 H new ATOM 0 HE2 LYS B 28 9.207 -12.556 7.288 1.00 1.51 H new ATOM 0 HE3 LYS B 28 9.230 -14.025 6.331 1.00 1.51 H new ATOM 0 HZ1 LYS B 28 10.484 -13.805 8.634 1.00 1.98 H new ATOM 0 HZ2 LYS B 28 11.055 -14.804 7.385 1.00 1.98 H new ATOM 0 HZ3 LYS B 28 11.738 -13.267 7.623 1.00 1.98 H new ATOM 2710 N LEU B 29 10.990 -11.377 1.624 1.00 0.38 N ATOM 2711 CA LEU B 29 11.999 -10.774 0.755 1.00 0.32 C ATOM 2712 C LEU B 29 13.132 -10.178 1.569 1.00 0.33 C ATOM 2713 O LEU B 29 12.919 -9.260 2.349 1.00 0.42 O ATOM 2714 CB LEU B 29 11.410 -9.659 -0.120 1.00 0.29 C ATOM 2715 CG LEU B 29 10.281 -10.063 -1.063 1.00 0.29 C ATOM 2716 CD1 LEU B 29 8.948 -10.012 -0.346 1.00 0.34 C ATOM 2717 CD2 LEU B 29 10.266 -9.161 -2.287 1.00 0.31 C ATOM 0 H LEU B 29 10.445 -10.708 2.169 1.00 0.38 H new ATOM 0 HA LEU B 29 12.371 -11.577 0.118 1.00 0.32 H new ATOM 0 HB2 LEU B 29 11.042 -8.869 0.535 1.00 0.29 H new ATOM 0 HB3 LEU B 29 12.216 -9.230 -0.716 1.00 0.29 H new ATOM 0 HG LEU B 29 10.453 -11.088 -1.392 1.00 0.29 H new ATOM 0 HD11 LEU B 29 8.154 -10.303 -1.033 1.00 0.34 H new ATOM 0 HD12 LEU B 29 8.964 -10.698 0.501 1.00 0.34 H new ATOM 0 HD13 LEU B 29 8.765 -8.998 0.011 1.00 0.34 H new ATOM 0 HD21 LEU B 29 9.455 -9.462 -2.951 1.00 0.31 H new ATOM 0 HD22 LEU B 29 10.116 -8.127 -1.975 1.00 0.31 H new ATOM 0 HD23 LEU B 29 11.216 -9.247 -2.814 1.00 0.31 H new ATOM 2729 N ASN B 30 14.335 -10.682 1.374 1.00 0.31 N ATOM 2730 CA ASN B 30 15.507 -10.098 2.012 1.00 0.31 C ATOM 2731 C ASN B 30 15.985 -8.895 1.209 1.00 0.27 C ATOM 2732 O ASN B 30 15.333 -8.491 0.241 1.00 0.26 O ATOM 2733 CB ASN B 30 16.638 -11.121 2.136 1.00 0.35 C ATOM 2734 CG ASN B 30 17.184 -11.530 0.790 1.00 0.58 C ATOM 2735 OD1 ASN B 30 18.116 -10.916 0.271 1.00 1.17 O ATOM 2736 ND2 ASN B 30 16.615 -12.570 0.220 1.00 0.60 N ATOM 0 H ASN B 30 14.530 -11.490 0.783 1.00 0.31 H new ATOM 0 HA ASN B 30 15.225 -9.780 3.016 1.00 0.31 H new ATOM 0 HB2 ASN B 30 17.442 -10.700 2.740 1.00 0.35 H new ATOM 0 HB3 ASN B 30 16.272 -12.003 2.662 1.00 0.35 H new ATOM 0 HD21 ASN B 30 16.944 -12.897 -0.688 1.00 0.60 H new ATOM 0 HD22 ASN B 30 15.845 -13.049 0.686 1.00 0.60 H new ATOM 2743 N LYS B 31 17.118 -8.328 1.615 1.00 0.27 N ATOM 2744 CA LYS B 31 17.681 -7.148 0.963 1.00 0.26 C ATOM 2745 C LYS B 31 17.749 -7.308 -0.556 1.00 0.25 C ATOM 2746 O LYS B 31 17.331 -6.423 -1.301 1.00 0.28 O ATOM 2747 CB LYS B 31 19.090 -6.864 1.488 1.00 0.29 C ATOM 2748 CG LYS B 31 19.143 -6.475 2.953 1.00 0.40 C ATOM 2749 CD LYS B 31 20.571 -6.202 3.393 1.00 0.49 C ATOM 2750 CE LYS B 31 20.636 -5.763 4.846 1.00 1.20 C ATOM 2751 NZ LYS B 31 22.034 -5.512 5.283 1.00 1.72 N ATOM 0 H LYS B 31 17.670 -8.671 2.401 1.00 0.27 H new ATOM 0 HA LYS B 31 17.017 -6.316 1.197 1.00 0.26 H new ATOM 0 HB2 LYS B 31 19.707 -7.750 1.337 1.00 0.29 H new ATOM 0 HB3 LYS B 31 19.532 -6.063 0.895 1.00 0.29 H new ATOM 0 HG2 LYS B 31 18.532 -5.588 3.120 1.00 0.40 H new ATOM 0 HG3 LYS B 31 18.718 -7.274 3.561 1.00 0.40 H new ATOM 0 HD2 LYS B 31 21.172 -7.101 3.257 1.00 0.49 H new ATOM 0 HD3 LYS B 31 21.006 -5.429 2.759 1.00 0.49 H new ATOM 0 HE2 LYS B 31 20.045 -4.857 4.979 1.00 1.20 H new ATOM 0 HE3 LYS B 31 20.189 -6.530 5.478 1.00 1.20 H new ATOM 0 HZ1 LYS B 31 22.029 -4.923 6.140 1.00 1.72 H new ATOM 0 HZ2 LYS B 31 22.501 -6.418 5.488 1.00 1.72 H new ATOM 0 HZ3 LYS B 31 22.551 -5.019 4.527 1.00 1.72 H new ATOM 2765 N SER B 32 18.266 -8.443 -1.008 1.00 0.25 N ATOM 2766 CA SER B 32 18.499 -8.665 -2.426 1.00 0.27 C ATOM 2767 C SER B 32 17.189 -8.697 -3.205 1.00 0.24 C ATOM 2768 O SER B 32 17.079 -8.095 -4.276 1.00 0.27 O ATOM 2769 CB SER B 32 19.272 -9.970 -2.636 1.00 0.35 C ATOM 2770 OG SER B 32 19.652 -10.132 -3.994 1.00 1.27 O ATOM 0 H SER B 32 18.532 -9.225 -0.410 1.00 0.25 H new ATOM 0 HA SER B 32 19.093 -7.833 -2.804 1.00 0.27 H new ATOM 0 HB2 SER B 32 20.160 -9.974 -2.005 1.00 0.35 H new ATOM 0 HB3 SER B 32 18.656 -10.814 -2.325 1.00 0.35 H new ATOM 0 HG SER B 32 20.145 -10.973 -4.098 1.00 1.27 H new ATOM 2776 N GLU B 33 16.188 -9.374 -2.651 1.00 0.25 N ATOM 2777 CA GLU B 33 14.925 -9.554 -3.352 1.00 0.27 C ATOM 2778 C GLU B 33 14.203 -8.221 -3.464 1.00 0.24 C ATOM 2779 O GLU B 33 13.639 -7.887 -4.507 1.00 0.26 O ATOM 2780 CB GLU B 33 14.024 -10.565 -2.635 1.00 0.34 C ATOM 2781 CG GLU B 33 14.721 -11.847 -2.198 1.00 0.47 C ATOM 2782 CD GLU B 33 15.825 -12.302 -3.138 1.00 0.83 C ATOM 2783 OE1 GLU B 33 15.562 -12.520 -4.335 1.00 1.65 O ATOM 2784 OE2 GLU B 33 16.973 -12.440 -2.671 1.00 1.43 O ATOM 0 H GLU B 33 16.227 -9.803 -1.726 1.00 0.25 H new ATOM 0 HA GLU B 33 15.147 -9.941 -4.347 1.00 0.27 H new ATOM 0 HB2 GLU B 33 13.592 -10.086 -1.756 1.00 0.34 H new ATOM 0 HB3 GLU B 33 13.197 -10.825 -3.295 1.00 0.34 H new ATOM 0 HG2 GLU B 33 15.143 -11.698 -1.204 1.00 0.47 H new ATOM 0 HG3 GLU B 33 13.979 -12.641 -2.114 1.00 0.47 H new ATOM 2791 N LEU B 34 14.235 -7.458 -2.377 1.00 0.21 N ATOM 2792 CA LEU B 34 13.630 -6.139 -2.356 1.00 0.21 C ATOM 2793 C LEU B 34 14.349 -5.190 -3.296 1.00 0.20 C ATOM 2794 O LEU B 34 13.707 -4.446 -4.034 1.00 0.24 O ATOM 2795 CB LEU B 34 13.636 -5.570 -0.943 1.00 0.21 C ATOM 2796 CG LEU B 34 12.421 -5.927 -0.098 1.00 0.21 C ATOM 2797 CD1 LEU B 34 12.657 -5.519 1.343 1.00 0.24 C ATOM 2798 CD2 LEU B 34 11.184 -5.236 -0.650 1.00 0.21 C ATOM 0 H LEU B 34 14.675 -7.734 -1.499 1.00 0.21 H new ATOM 0 HA LEU B 34 12.599 -6.243 -2.694 1.00 0.21 H new ATOM 0 HB2 LEU B 34 14.532 -5.921 -0.430 1.00 0.21 H new ATOM 0 HB3 LEU B 34 13.709 -4.484 -1.005 1.00 0.21 H new ATOM 0 HG LEU B 34 12.263 -7.005 -0.134 1.00 0.21 H new ATOM 0 HD11 LEU B 34 11.784 -5.777 1.942 1.00 0.24 H new ATOM 0 HD12 LEU B 34 13.531 -6.042 1.731 1.00 0.24 H new ATOM 0 HD13 LEU B 34 12.826 -4.443 1.394 1.00 0.24 H new ATOM 0 HD21 LEU B 34 10.319 -5.496 -0.040 1.00 0.21 H new ATOM 0 HD22 LEU B 34 11.331 -4.156 -0.629 1.00 0.21 H new ATOM 0 HD23 LEU B 34 11.014 -5.559 -1.677 1.00 0.21 H new ATOM 2810 N LYS B 35 15.677 -5.214 -3.274 1.00 0.21 N ATOM 2811 CA LYS B 35 16.451 -4.321 -4.119 1.00 0.26 C ATOM 2812 C LYS B 35 16.081 -4.523 -5.574 1.00 0.22 C ATOM 2813 O LYS B 35 15.763 -3.564 -6.263 1.00 0.24 O ATOM 2814 CB LYS B 35 17.957 -4.502 -3.926 1.00 0.37 C ATOM 2815 CG LYS B 35 18.760 -3.381 -4.571 1.00 0.54 C ATOM 2816 CD LYS B 35 20.198 -3.345 -4.085 1.00 0.68 C ATOM 2817 CE LYS B 35 20.989 -4.531 -4.595 1.00 0.61 C ATOM 2818 NZ LYS B 35 22.400 -4.499 -4.131 1.00 0.95 N ATOM 0 H LYS B 35 16.232 -5.836 -2.686 1.00 0.21 H new ATOM 0 HA LYS B 35 16.206 -3.301 -3.822 1.00 0.26 H new ATOM 0 HB2 LYS B 35 18.183 -4.541 -2.860 1.00 0.37 H new ATOM 0 HB3 LYS B 35 18.264 -5.457 -4.352 1.00 0.37 H new ATOM 0 HG2 LYS B 35 18.748 -3.506 -5.654 1.00 0.54 H new ATOM 0 HG3 LYS B 35 18.282 -2.425 -4.355 1.00 0.54 H new ATOM 0 HD2 LYS B 35 20.672 -2.421 -4.417 1.00 0.68 H new ATOM 0 HD3 LYS B 35 20.214 -3.338 -2.995 1.00 0.68 H new ATOM 0 HE2 LYS B 35 20.517 -5.454 -4.258 1.00 0.61 H new ATOM 0 HE3 LYS B 35 20.966 -4.541 -5.685 1.00 0.61 H new ATOM 0 HZ1 LYS B 35 23.033 -4.705 -4.930 1.00 0.95 H new ATOM 0 HZ2 LYS B 35 22.619 -3.556 -3.750 1.00 0.95 H new ATOM 0 HZ3 LYS B 35 22.537 -5.213 -3.387 1.00 0.95 H new ATOM 2832 N GLU B 36 16.090 -5.769 -6.032 1.00 0.22 N ATOM 2833 CA GLU B 36 15.681 -6.058 -7.398 1.00 0.24 C ATOM 2834 C GLU B 36 14.272 -5.555 -7.654 1.00 0.25 C ATOM 2835 O GLU B 36 14.027 -4.877 -8.648 1.00 0.32 O ATOM 2836 CB GLU B 36 15.751 -7.544 -7.705 1.00 0.28 C ATOM 2837 CG GLU B 36 17.114 -8.011 -8.165 1.00 0.65 C ATOM 2838 CD GLU B 36 17.122 -9.471 -8.560 1.00 0.77 C ATOM 2839 OE1 GLU B 36 16.598 -10.307 -7.798 1.00 1.48 O ATOM 2840 OE2 GLU B 36 17.635 -9.786 -9.654 1.00 1.30 O ATOM 0 H GLU B 36 16.372 -6.583 -5.486 1.00 0.22 H new ATOM 0 HA GLU B 36 16.377 -5.539 -8.056 1.00 0.24 H new ATOM 0 HB2 GLU B 36 15.468 -8.103 -6.813 1.00 0.28 H new ATOM 0 HB3 GLU B 36 15.017 -7.781 -8.476 1.00 0.28 H new ATOM 0 HG2 GLU B 36 17.435 -7.406 -9.013 1.00 0.65 H new ATOM 0 HG3 GLU B 36 17.838 -7.850 -7.367 1.00 0.65 H new ATOM 2847 N LEU B 37 13.363 -5.871 -6.741 1.00 0.23 N ATOM 2848 CA LEU B 37 11.976 -5.427 -6.835 1.00 0.26 C ATOM 2849 C LEU B 37 11.917 -3.926 -7.109 1.00 0.22 C ATOM 2850 O LEU B 37 11.308 -3.482 -8.086 1.00 0.22 O ATOM 2851 CB LEU B 37 11.252 -5.757 -5.528 1.00 0.32 C ATOM 2852 CG LEU B 37 9.727 -5.694 -5.568 1.00 0.41 C ATOM 2853 CD1 LEU B 37 9.138 -6.943 -4.931 1.00 0.34 C ATOM 2854 CD2 LEU B 37 9.226 -4.453 -4.846 1.00 0.74 C ATOM 0 H LEU B 37 13.563 -6.439 -5.918 1.00 0.23 H new ATOM 0 HA LEU B 37 11.486 -5.944 -7.660 1.00 0.26 H new ATOM 0 HB2 LEU B 37 11.545 -6.760 -5.217 1.00 0.32 H new ATOM 0 HB3 LEU B 37 11.603 -5.069 -4.759 1.00 0.32 H new ATOM 0 HG LEU B 37 9.408 -5.641 -6.609 1.00 0.41 H new ATOM 0 HD11 LEU B 37 8.050 -6.890 -4.964 1.00 0.34 H new ATOM 0 HD12 LEU B 37 9.475 -7.824 -5.478 1.00 0.34 H new ATOM 0 HD13 LEU B 37 9.467 -7.012 -3.894 1.00 0.34 H new ATOM 0 HD21 LEU B 37 8.137 -4.424 -4.884 1.00 0.74 H new ATOM 0 HD22 LEU B 37 9.552 -4.481 -3.806 1.00 0.74 H new ATOM 0 HD23 LEU B 37 9.630 -3.563 -5.329 1.00 0.74 H new ATOM 2866 N LEU B 38 12.592 -3.156 -6.264 1.00 0.19 N ATOM 2867 CA LEU B 38 12.612 -1.707 -6.396 1.00 0.19 C ATOM 2868 C LEU B 38 13.409 -1.253 -7.625 1.00 0.19 C ATOM 2869 O LEU B 38 12.971 -0.372 -8.347 1.00 0.21 O ATOM 2870 CB LEU B 38 13.158 -1.055 -5.120 1.00 0.19 C ATOM 2871 CG LEU B 38 12.173 -0.988 -3.946 1.00 0.19 C ATOM 2872 CD1 LEU B 38 12.615 -1.893 -2.808 1.00 0.20 C ATOM 2873 CD2 LEU B 38 12.029 0.443 -3.455 1.00 0.20 C ATOM 0 H LEU B 38 13.134 -3.514 -5.478 1.00 0.19 H new ATOM 0 HA LEU B 38 11.583 -1.379 -6.541 1.00 0.19 H new ATOM 0 HB2 LEU B 38 14.042 -1.606 -4.800 1.00 0.19 H new ATOM 0 HB3 LEU B 38 13.482 -0.042 -5.359 1.00 0.19 H new ATOM 0 HG LEU B 38 11.203 -1.338 -4.301 1.00 0.19 H new ATOM 0 HD11 LEU B 38 11.898 -1.825 -1.990 1.00 0.20 H new ATOM 0 HD12 LEU B 38 12.666 -2.923 -3.161 1.00 0.20 H new ATOM 0 HD13 LEU B 38 13.598 -1.581 -2.456 1.00 0.20 H new ATOM 0 HD21 LEU B 38 11.327 0.473 -2.622 1.00 0.20 H new ATOM 0 HD22 LEU B 38 12.999 0.814 -3.125 1.00 0.20 H new ATOM 0 HD23 LEU B 38 11.657 1.070 -4.265 1.00 0.20 H new ATOM 2885 N THR B 39 14.563 -1.862 -7.882 1.00 0.20 N ATOM 2886 CA THR B 39 15.390 -1.463 -9.028 1.00 0.22 C ATOM 2887 C THR B 39 14.639 -1.643 -10.341 1.00 0.23 C ATOM 2888 O THR B 39 14.812 -0.873 -11.287 1.00 0.27 O ATOM 2889 CB THR B 39 16.708 -2.263 -9.114 1.00 0.25 C ATOM 2890 OG1 THR B 39 16.437 -3.669 -9.182 1.00 0.30 O ATOM 2891 CG2 THR B 39 17.602 -1.980 -7.925 1.00 0.27 C ATOM 0 H THR B 39 14.947 -2.624 -7.324 1.00 0.20 H new ATOM 0 HA THR B 39 15.625 -0.411 -8.869 1.00 0.22 H new ATOM 0 HB THR B 39 17.225 -1.948 -10.021 1.00 0.25 H new ATOM 0 HG1 THR B 39 15.490 -3.829 -8.989 1.00 0.30 H new ATOM 0 HG21 THR B 39 18.522 -2.558 -8.015 1.00 0.27 H new ATOM 0 HG22 THR B 39 17.843 -0.917 -7.896 1.00 0.27 H new ATOM 0 HG23 THR B 39 17.086 -2.260 -7.007 1.00 0.27 H new ATOM 2899 N ARG B 40 13.804 -2.664 -10.388 1.00 0.24 N ATOM 2900 CA ARG B 40 13.083 -3.002 -11.596 1.00 0.27 C ATOM 2901 C ARG B 40 11.808 -2.181 -11.722 1.00 0.27 C ATOM 2902 O ARG B 40 11.645 -1.411 -12.668 1.00 0.30 O ATOM 2903 CB ARG B 40 12.735 -4.489 -11.598 1.00 0.31 C ATOM 2904 CG ARG B 40 13.940 -5.419 -11.600 1.00 0.34 C ATOM 2905 CD ARG B 40 14.827 -5.198 -12.808 1.00 0.44 C ATOM 2906 NE ARG B 40 14.049 -5.171 -14.049 1.00 0.64 N ATOM 2907 CZ ARG B 40 14.527 -4.790 -15.232 1.00 0.87 C ATOM 2908 NH1 ARG B 40 15.801 -4.441 -15.368 1.00 1.22 N ATOM 2909 NH2 ARG B 40 13.720 -4.765 -16.285 1.00 1.06 N ATOM 0 H ARG B 40 13.609 -3.276 -9.596 1.00 0.24 H new ATOM 0 HA ARG B 40 13.726 -2.775 -12.446 1.00 0.27 H new ATOM 0 HB2 ARG B 40 12.125 -4.708 -10.722 1.00 0.31 H new ATOM 0 HB3 ARG B 40 12.124 -4.705 -12.474 1.00 0.31 H new ATOM 0 HG2 ARG B 40 14.520 -5.262 -10.691 1.00 0.34 H new ATOM 0 HG3 ARG B 40 13.599 -6.454 -11.586 1.00 0.34 H new ATOM 0 HD2 ARG B 40 15.368 -4.258 -12.696 1.00 0.44 H new ATOM 0 HD3 ARG B 40 15.573 -5.991 -12.863 1.00 0.44 H new ATOM 0 HE ARG B 40 13.073 -5.464 -14.004 1.00 0.64 H new ATOM 0 HH11 ARG B 40 16.425 -4.463 -14.561 1.00 1.22 H new ATOM 0 HH12 ARG B 40 16.156 -4.151 -16.279 1.00 1.22 H new ATOM 0 HH21 ARG B 40 12.742 -5.036 -16.184 1.00 1.06 H new ATOM 0 HH22 ARG B 40 14.078 -4.474 -17.195 1.00 1.06 H new ATOM 2923 N GLU B 41 10.908 -2.351 -10.766 1.00 0.27 N ATOM 2924 CA GLU B 41 9.575 -1.786 -10.876 1.00 0.30 C ATOM 2925 C GLU B 41 9.388 -0.509 -10.056 1.00 0.34 C ATOM 2926 O GLU B 41 8.386 0.173 -10.213 1.00 0.46 O ATOM 2927 CB GLU B 41 8.540 -2.847 -10.502 1.00 0.36 C ATOM 2928 CG GLU B 41 8.392 -3.918 -11.571 1.00 0.45 C ATOM 2929 CD GLU B 41 7.608 -5.130 -11.113 1.00 0.83 C ATOM 2930 OE1 GLU B 41 6.436 -4.972 -10.715 1.00 1.54 O ATOM 2931 OE2 GLU B 41 8.157 -6.252 -11.181 1.00 1.59 O ATOM 0 H GLU B 41 11.077 -2.875 -9.907 1.00 0.27 H new ATOM 0 HA GLU B 41 9.431 -1.485 -11.914 1.00 0.30 H new ATOM 0 HB2 GLU B 41 8.828 -3.315 -9.561 1.00 0.36 H new ATOM 0 HB3 GLU B 41 7.575 -2.367 -10.337 1.00 0.36 H new ATOM 0 HG2 GLU B 41 7.899 -3.485 -12.441 1.00 0.45 H new ATOM 0 HG3 GLU B 41 9.383 -4.238 -11.893 1.00 0.45 H new ATOM 2938 N LEU B 42 10.339 -0.161 -9.198 1.00 0.27 N ATOM 2939 CA LEU B 42 10.216 1.076 -8.414 1.00 0.28 C ATOM 2940 C LEU B 42 11.435 1.996 -8.583 1.00 0.27 C ATOM 2941 O LEU B 42 11.946 2.518 -7.595 1.00 0.26 O ATOM 2942 CB LEU B 42 10.046 0.765 -6.918 1.00 0.27 C ATOM 2943 CG LEU B 42 8.839 -0.091 -6.531 1.00 0.27 C ATOM 2944 CD1 LEU B 42 9.110 -1.558 -6.796 1.00 0.26 C ATOM 2945 CD2 LEU B 42 8.484 0.124 -5.070 1.00 0.32 C ATOM 0 H LEU B 42 11.188 -0.699 -9.025 1.00 0.27 H new ATOM 0 HA LEU B 42 9.333 1.589 -8.794 1.00 0.28 H new ATOM 0 HB2 LEU B 42 10.947 0.261 -6.570 1.00 0.27 H new ATOM 0 HB3 LEU B 42 9.981 1.710 -6.378 1.00 0.27 H new ATOM 0 HG LEU B 42 7.993 0.217 -7.146 1.00 0.27 H new ATOM 0 HD11 LEU B 42 8.237 -2.146 -6.513 1.00 0.26 H new ATOM 0 HD12 LEU B 42 9.318 -1.704 -7.856 1.00 0.26 H new ATOM 0 HD13 LEU B 42 9.971 -1.881 -6.210 1.00 0.26 H new ATOM 0 HD21 LEU B 42 7.623 -0.492 -4.810 1.00 0.32 H new ATOM 0 HD22 LEU B 42 9.332 -0.155 -4.445 1.00 0.32 H new ATOM 0 HD23 LEU B 42 8.242 1.174 -4.905 1.00 0.32 H new ATOM 2957 N PRO B 43 11.900 2.260 -9.822 1.00 0.31 N ATOM 2958 CA PRO B 43 13.144 3.004 -10.040 1.00 0.33 C ATOM 2959 C PRO B 43 13.004 4.470 -9.647 1.00 0.33 C ATOM 2960 O PRO B 43 13.960 5.102 -9.194 1.00 0.36 O ATOM 2961 CB PRO B 43 13.394 2.881 -11.548 1.00 0.41 C ATOM 2962 CG PRO B 43 12.419 1.863 -12.039 1.00 0.51 C ATOM 2963 CD PRO B 43 11.258 1.913 -11.095 1.00 0.35 C ATOM 0 HA PRO B 43 13.961 2.611 -9.434 1.00 0.33 H new ATOM 0 HB2 PRO B 43 13.246 3.838 -12.048 1.00 0.41 H new ATOM 0 HB3 PRO B 43 14.419 2.571 -11.751 1.00 0.41 H new ATOM 0 HG2 PRO B 43 12.103 2.086 -13.058 1.00 0.51 H new ATOM 0 HG3 PRO B 43 12.867 0.869 -12.054 1.00 0.51 H new ATOM 0 HD2 PRO B 43 10.522 2.659 -11.395 1.00 0.35 H new ATOM 0 HD3 PRO B 43 10.738 0.957 -11.040 1.00 0.35 H new ATOM 2971 N SER B 44 11.800 4.995 -9.818 1.00 0.36 N ATOM 2972 CA SER B 44 11.498 6.378 -9.494 1.00 0.39 C ATOM 2973 C SER B 44 11.516 6.605 -7.989 1.00 0.35 C ATOM 2974 O SER B 44 12.057 7.596 -7.503 1.00 0.40 O ATOM 2975 CB SER B 44 10.124 6.732 -10.048 1.00 0.46 C ATOM 2976 OG SER B 44 9.204 5.677 -9.811 1.00 1.09 O ATOM 0 H SER B 44 11.005 4.472 -10.186 1.00 0.36 H new ATOM 0 HA SER B 44 12.260 7.015 -9.943 1.00 0.39 H new ATOM 0 HB2 SER B 44 9.763 7.649 -9.582 1.00 0.46 H new ATOM 0 HB3 SER B 44 10.196 6.926 -11.118 1.00 0.46 H new ATOM 0 HG SER B 44 8.698 5.862 -8.992 1.00 1.09 H new ATOM 2982 N PHE B 45 10.931 5.667 -7.257 1.00 0.30 N ATOM 2983 CA PHE B 45 10.772 5.794 -5.816 1.00 0.28 C ATOM 2984 C PHE B 45 12.050 5.419 -5.093 1.00 0.28 C ATOM 2985 O PHE B 45 12.016 5.032 -3.938 1.00 0.27 O ATOM 2986 CB PHE B 45 9.628 4.902 -5.322 1.00 0.31 C ATOM 2987 CG PHE B 45 8.449 4.843 -6.249 1.00 0.28 C ATOM 2988 CD1 PHE B 45 7.773 5.993 -6.631 1.00 1.28 C ATOM 2989 CD2 PHE B 45 8.011 3.622 -6.729 1.00 1.17 C ATOM 2990 CE1 PHE B 45 6.683 5.917 -7.477 1.00 1.34 C ATOM 2991 CE2 PHE B 45 6.927 3.540 -7.574 1.00 1.18 C ATOM 2992 CZ PHE B 45 6.262 4.686 -7.950 1.00 0.47 C ATOM 0 H PHE B 45 10.555 4.801 -7.643 1.00 0.30 H new ATOM 0 HA PHE B 45 10.538 6.836 -5.599 1.00 0.28 H new ATOM 0 HB2 PHE B 45 10.009 3.892 -5.172 1.00 0.31 H new ATOM 0 HB3 PHE B 45 9.294 5.264 -4.350 1.00 0.31 H new ATOM 0 HD1 PHE B 45 8.101 6.954 -6.264 1.00 1.28 H new ATOM 0 HD2 PHE B 45 8.527 2.719 -6.437 1.00 1.17 H new ATOM 0 HE1 PHE B 45 6.161 6.816 -7.769 1.00 1.34 H new ATOM 0 HE2 PHE B 45 6.599 2.579 -7.941 1.00 1.18 H new ATOM 0 HZ PHE B 45 5.412 4.624 -8.614 1.00 0.47 H new ATOM 3002 N LEU B 46 13.177 5.544 -5.762 1.00 0.32 N ATOM 3003 CA LEU B 46 14.449 5.372 -5.091 1.00 0.33 C ATOM 3004 C LEU B 46 15.033 6.738 -4.761 1.00 0.39 C ATOM 3005 O LEU B 46 15.814 6.882 -3.824 1.00 0.47 O ATOM 3006 CB LEU B 46 15.425 4.554 -5.940 1.00 0.35 C ATOM 3007 CG LEU B 46 14.910 3.181 -6.391 1.00 0.32 C ATOM 3008 CD1 LEU B 46 16.061 2.286 -6.818 1.00 0.41 C ATOM 3009 CD2 LEU B 46 14.078 2.521 -5.297 1.00 0.30 C ATOM 0 H LEU B 46 13.240 5.761 -6.757 1.00 0.32 H new ATOM 0 HA LEU B 46 14.284 4.817 -4.168 1.00 0.33 H new ATOM 0 HB2 LEU B 46 15.686 5.135 -6.825 1.00 0.35 H new ATOM 0 HB3 LEU B 46 16.344 4.410 -5.371 1.00 0.35 H new ATOM 0 HG LEU B 46 14.262 3.331 -7.255 1.00 0.32 H new ATOM 0 HD11 LEU B 46 15.672 1.318 -7.134 1.00 0.41 H new ATOM 0 HD12 LEU B 46 16.595 2.750 -7.647 1.00 0.41 H new ATOM 0 HD13 LEU B 46 16.744 2.147 -5.980 1.00 0.41 H new ATOM 0 HD21 LEU B 46 13.726 1.549 -5.644 1.00 0.30 H new ATOM 0 HD22 LEU B 46 14.690 2.388 -4.405 1.00 0.30 H new ATOM 0 HD23 LEU B 46 13.223 3.153 -5.059 1.00 0.30 H new ATOM 3021 N GLY B 47 14.627 7.742 -5.533 1.00 0.41 N ATOM 3022 CA GLY B 47 15.104 9.108 -5.346 1.00 0.49 C ATOM 3023 C GLY B 47 16.570 9.290 -5.692 1.00 0.53 C ATOM 3024 O GLY B 47 16.979 10.350 -6.166 1.00 0.60 O ATOM 0 H GLY B 47 13.963 7.633 -6.300 1.00 0.41 H new ATOM 0 HA2 GLY B 47 14.507 9.780 -5.962 1.00 0.49 H new ATOM 0 HA3 GLY B 47 14.945 9.401 -4.308 1.00 0.49 H new ATOM 3028 N LYS B 48 17.356 8.261 -5.458 1.00 0.54 N ATOM 3029 CA LYS B 48 18.749 8.246 -5.850 1.00 0.67 C ATOM 3030 C LYS B 48 19.085 6.886 -6.449 1.00 0.70 C ATOM 3031 O LYS B 48 19.092 6.725 -7.671 1.00 1.18 O ATOM 3032 CB LYS B 48 19.645 8.554 -4.640 1.00 0.82 C ATOM 3033 CG LYS B 48 21.132 8.588 -4.959 1.00 1.41 C ATOM 3034 CD LYS B 48 21.467 9.684 -5.958 1.00 2.04 C ATOM 3035 CE LYS B 48 22.952 9.706 -6.282 1.00 2.61 C ATOM 3036 NZ LYS B 48 23.419 8.413 -6.850 1.00 3.21 N ATOM 0 H LYS B 48 17.046 7.409 -4.990 1.00 0.54 H new ATOM 0 HA LYS B 48 18.928 9.016 -6.601 1.00 0.67 H new ATOM 0 HB2 LYS B 48 19.352 9.517 -4.221 1.00 0.82 H new ATOM 0 HB3 LYS B 48 19.467 7.804 -3.870 1.00 0.82 H new ATOM 0 HG2 LYS B 48 21.698 8.747 -4.041 1.00 1.41 H new ATOM 0 HG3 LYS B 48 21.440 7.623 -5.361 1.00 1.41 H new ATOM 0 HD2 LYS B 48 20.896 9.530 -6.874 1.00 2.04 H new ATOM 0 HD3 LYS B 48 21.167 10.651 -5.554 1.00 2.04 H new ATOM 0 HE2 LYS B 48 23.156 10.508 -6.991 1.00 2.61 H new ATOM 0 HE3 LYS B 48 23.517 9.929 -5.377 1.00 2.61 H new ATOM 0 HZ1 LYS B 48 24.361 8.539 -7.273 1.00 3.21 H new ATOM 0 HZ2 LYS B 48 23.471 7.701 -6.094 1.00 3.21 H new ATOM 0 HZ3 LYS B 48 22.752 8.094 -7.581 1.00 3.21 H new ATOM 3050 N ARG B 49 19.301 5.905 -5.579 1.00 0.54 N ATOM 3051 CA ARG B 49 19.645 4.549 -5.988 1.00 0.54 C ATOM 3052 C ARG B 49 19.941 3.713 -4.751 1.00 0.51 C ATOM 3053 O ARG B 49 20.462 4.223 -3.763 1.00 0.55 O ATOM 3054 CB ARG B 49 20.857 4.540 -6.930 1.00 0.66 C ATOM 3055 CG ARG B 49 21.084 3.207 -7.627 1.00 0.74 C ATOM 3056 CD ARG B 49 19.830 2.746 -8.354 1.00 0.73 C ATOM 3057 NE ARG B 49 20.047 1.530 -9.136 1.00 1.28 N ATOM 3058 CZ ARG B 49 19.254 1.143 -10.137 1.00 1.46 C ATOM 3059 NH1 ARG B 49 18.226 1.902 -10.502 1.00 1.43 N ATOM 3060 NH2 ARG B 49 19.499 0.009 -10.785 1.00 2.26 N ATOM 0 H ARG B 49 19.242 6.029 -4.568 1.00 0.54 H new ATOM 0 HA ARG B 49 18.800 4.125 -6.530 1.00 0.54 H new ATOM 0 HB2 ARG B 49 20.725 5.316 -7.684 1.00 0.66 H new ATOM 0 HB3 ARG B 49 21.750 4.798 -6.360 1.00 0.66 H new ATOM 0 HG2 ARG B 49 21.906 3.300 -8.337 1.00 0.74 H new ATOM 0 HG3 ARG B 49 21.380 2.456 -6.894 1.00 0.74 H new ATOM 0 HD2 ARG B 49 19.038 2.569 -7.627 1.00 0.73 H new ATOM 0 HD3 ARG B 49 19.485 3.541 -9.015 1.00 0.73 H new ATOM 0 HE ARG B 49 20.849 0.945 -8.903 1.00 1.28 H new ATOM 0 HH11 ARG B 49 18.043 2.780 -10.017 1.00 1.43 H new ATOM 0 HH12 ARG B 49 17.620 1.606 -11.267 1.00 1.43 H new ATOM 0 HH21 ARG B 49 20.296 -0.569 -10.518 1.00 2.26 H new ATOM 0 HH22 ARG B 49 18.890 -0.283 -11.550 1.00 2.26 H new ATOM 3074 N THR B 50 19.593 2.440 -4.806 1.00 0.51 N ATOM 3075 CA THR B 50 19.787 1.546 -3.683 1.00 0.51 C ATOM 3076 C THR B 50 21.231 1.052 -3.597 1.00 0.61 C ATOM 3077 O THR B 50 21.633 0.150 -4.334 1.00 0.82 O ATOM 3078 CB THR B 50 18.834 0.347 -3.786 1.00 0.57 C ATOM 3079 OG1 THR B 50 18.870 -0.179 -5.120 1.00 0.69 O ATOM 3080 CG2 THR B 50 17.410 0.750 -3.433 1.00 0.57 C ATOM 0 H THR B 50 19.171 2.001 -5.624 1.00 0.51 H new ATOM 0 HA THR B 50 19.568 2.108 -2.775 1.00 0.51 H new ATOM 0 HB THR B 50 19.159 -0.415 -3.078 1.00 0.57 H new ATOM 0 HG1 THR B 50 19.802 -0.283 -5.405 1.00 0.69 H new ATOM 0 HG21 THR B 50 16.756 -0.118 -3.514 1.00 0.57 H new ATOM 0 HG22 THR B 50 17.382 1.131 -2.412 1.00 0.57 H new ATOM 0 HG23 THR B 50 17.071 1.526 -4.119 1.00 0.57 H new ATOM 3088 N ASP B 51 22.013 1.668 -2.715 1.00 0.58 N ATOM 3089 CA ASP B 51 23.393 1.243 -2.485 1.00 0.72 C ATOM 3090 C ASP B 51 23.460 0.325 -1.277 1.00 0.60 C ATOM 3091 O ASP B 51 22.443 0.042 -0.652 1.00 0.58 O ATOM 3092 CB ASP B 51 24.327 2.434 -2.262 1.00 0.91 C ATOM 3093 CG ASP B 51 24.345 3.417 -3.417 1.00 1.35 C ATOM 3094 OD1 ASP B 51 24.781 3.032 -4.525 1.00 1.98 O ATOM 3095 OD2 ASP B 51 23.939 4.584 -3.225 1.00 1.91 O ATOM 0 H ASP B 51 21.716 2.462 -2.148 1.00 0.58 H new ATOM 0 HA ASP B 51 23.723 0.713 -3.379 1.00 0.72 H new ATOM 0 HB2 ASP B 51 24.024 2.958 -1.355 1.00 0.91 H new ATOM 0 HB3 ASP B 51 25.339 2.065 -2.094 1.00 0.91 H new ATOM 3100 N GLU B 52 24.665 -0.098 -0.923 1.00 0.68 N ATOM 3101 CA GLU B 52 24.853 -1.103 0.115 1.00 0.66 C ATOM 3102 C GLU B 52 24.818 -0.497 1.513 1.00 0.55 C ATOM 3103 O GLU B 52 24.130 -1.010 2.400 1.00 0.50 O ATOM 3104 CB GLU B 52 26.172 -1.842 -0.104 1.00 0.83 C ATOM 3105 CG GLU B 52 26.097 -2.931 -1.165 1.00 1.57 C ATOM 3106 CD GLU B 52 25.663 -2.428 -2.526 1.00 2.22 C ATOM 3107 OE1 GLU B 52 26.521 -1.927 -3.284 1.00 2.79 O ATOM 3108 OE2 GLU B 52 24.462 -2.544 -2.846 1.00 2.89 O ATOM 0 H GLU B 52 25.531 0.241 -1.341 1.00 0.68 H new ATOM 0 HA GLU B 52 24.024 -1.807 0.043 1.00 0.66 H new ATOM 0 HB2 GLU B 52 26.938 -1.121 -0.390 1.00 0.83 H new ATOM 0 HB3 GLU B 52 26.489 -2.288 0.839 1.00 0.83 H new ATOM 0 HG2 GLU B 52 27.075 -3.404 -1.257 1.00 1.57 H new ATOM 0 HG3 GLU B 52 25.401 -3.701 -0.833 1.00 1.57 H new ATOM 3115 N ALA B 53 25.544 0.599 1.710 1.00 0.58 N ATOM 3116 CA ALA B 53 25.619 1.241 3.019 1.00 0.58 C ATOM 3117 C ALA B 53 24.267 1.816 3.422 1.00 0.53 C ATOM 3118 O ALA B 53 23.997 2.051 4.599 1.00 0.58 O ATOM 3119 CB ALA B 53 26.677 2.329 3.020 1.00 0.70 C ATOM 0 H ALA B 53 26.088 1.061 0.981 1.00 0.58 H new ATOM 0 HA ALA B 53 25.899 0.483 3.750 1.00 0.58 H new ATOM 0 HB1 ALA B 53 26.718 2.796 4.004 1.00 0.70 H new ATOM 0 HB2 ALA B 53 27.648 1.893 2.785 1.00 0.70 H new ATOM 0 HB3 ALA B 53 26.426 3.081 2.272 1.00 0.70 H new ATOM 3125 N ALA B 54 23.428 2.050 2.432 1.00 0.52 N ATOM 3126 CA ALA B 54 22.077 2.513 2.670 1.00 0.51 C ATOM 3127 C ALA B 54 21.117 1.341 2.813 1.00 0.39 C ATOM 3128 O ALA B 54 20.175 1.391 3.597 1.00 0.35 O ATOM 3129 CB ALA B 54 21.635 3.402 1.533 1.00 0.63 C ATOM 0 H ALA B 54 23.662 1.925 1.447 1.00 0.52 H new ATOM 0 HA ALA B 54 22.066 3.079 3.601 1.00 0.51 H new ATOM 0 HB1 ALA B 54 20.618 3.748 1.716 1.00 0.63 H new ATOM 0 HB2 ALA B 54 22.303 4.260 1.461 1.00 0.63 H new ATOM 0 HB3 ALA B 54 21.665 2.840 0.599 1.00 0.63 H new ATOM 3135 N PHE B 55 21.351 0.285 2.044 1.00 0.38 N ATOM 3136 CA PHE B 55 20.461 -0.872 2.058 1.00 0.32 C ATOM 3137 C PHE B 55 20.560 -1.639 3.372 1.00 0.31 C ATOM 3138 O PHE B 55 19.607 -2.311 3.777 1.00 0.31 O ATOM 3139 CB PHE B 55 20.744 -1.813 0.890 1.00 0.41 C ATOM 3140 CG PHE B 55 19.487 -2.380 0.305 1.00 0.36 C ATOM 3141 CD1 PHE B 55 18.739 -3.311 1.004 1.00 1.23 C ATOM 3142 CD2 PHE B 55 19.039 -1.960 -0.934 1.00 1.25 C ATOM 3143 CE1 PHE B 55 17.566 -3.811 0.481 1.00 1.30 C ATOM 3144 CE2 PHE B 55 17.868 -2.460 -1.463 1.00 1.22 C ATOM 3145 CZ PHE B 55 17.130 -3.387 -0.754 1.00 0.46 C ATOM 0 H PHE B 55 22.143 0.204 1.407 1.00 0.38 H new ATOM 0 HA PHE B 55 19.447 -0.486 1.955 1.00 0.32 H new ATOM 0 HB2 PHE B 55 21.293 -1.275 0.117 1.00 0.41 H new ATOM 0 HB3 PHE B 55 21.385 -2.627 1.228 1.00 0.41 H new ATOM 0 HD1 PHE B 55 19.079 -3.650 1.972 1.00 1.23 H new ATOM 0 HD2 PHE B 55 19.611 -1.234 -1.492 1.00 1.25 H new ATOM 0 HE1 PHE B 55 16.990 -4.534 1.039 1.00 1.30 H new ATOM 0 HE2 PHE B 55 17.528 -2.126 -2.432 1.00 1.22 H new ATOM 0 HZ PHE B 55 16.212 -3.779 -1.168 1.00 0.46 H new ATOM 3155 N GLN B 56 21.705 -1.543 4.042 1.00 0.35 N ATOM 3156 CA GLN B 56 21.851 -2.142 5.365 1.00 0.41 C ATOM 3157 C GLN B 56 20.879 -1.478 6.333 1.00 0.42 C ATOM 3158 O GLN B 56 20.450 -2.079 7.319 1.00 0.52 O ATOM 3159 CB GLN B 56 23.293 -2.017 5.871 1.00 0.51 C ATOM 3160 CG GLN B 56 23.752 -0.587 6.084 1.00 0.53 C ATOM 3161 CD GLN B 56 25.219 -0.487 6.456 1.00 0.69 C ATOM 3162 OE1 GLN B 56 26.026 -1.408 5.956 1.00 1.15 O flip ATOM 3163 NE2 GLN B 56 25.625 0.421 7.184 1.00 1.53 N flip ATOM 0 H GLN B 56 22.536 -1.063 3.696 1.00 0.35 H new ATOM 0 HA GLN B 56 21.619 -3.205 5.298 1.00 0.41 H new ATOM 0 HB2 GLN B 56 23.385 -2.561 6.811 1.00 0.51 H new ATOM 0 HB3 GLN B 56 23.961 -2.499 5.157 1.00 0.51 H new ATOM 0 HG2 GLN B 56 23.573 -0.014 5.174 1.00 0.53 H new ATOM 0 HG3 GLN B 56 23.151 -0.131 6.871 1.00 0.53 H new ATOM 0 HE21 GLN B 56 24.971 1.113 7.550 1.00 1.53 H new ATOM 0 HE22 GLN B 56 26.615 0.481 7.420 1.00 1.53 H new ATOM 3172 N LYS B 57 20.528 -0.237 6.018 1.00 0.36 N ATOM 3173 CA LYS B 57 19.513 0.494 6.753 1.00 0.39 C ATOM 3174 C LYS B 57 18.141 0.170 6.184 1.00 0.34 C ATOM 3175 O LYS B 57 17.198 -0.062 6.927 1.00 0.41 O ATOM 3176 CB LYS B 57 19.760 1.998 6.648 1.00 0.44 C ATOM 3177 CG LYS B 57 21.102 2.448 7.194 1.00 0.54 C ATOM 3178 CD LYS B 57 21.406 3.877 6.780 1.00 0.61 C ATOM 3179 CE LYS B 57 22.681 4.389 7.422 1.00 0.79 C ATOM 3180 NZ LYS B 57 22.907 5.826 7.123 1.00 1.27 N ATOM 0 H LYS B 57 20.941 0.287 5.246 1.00 0.36 H new ATOM 0 HA LYS B 57 19.558 0.199 7.801 1.00 0.39 H new ATOM 0 HB2 LYS B 57 19.688 2.294 5.601 1.00 0.44 H new ATOM 0 HB3 LYS B 57 18.968 2.523 7.183 1.00 0.44 H new ATOM 0 HG2 LYS B 57 21.100 2.373 8.281 1.00 0.54 H new ATOM 0 HG3 LYS B 57 21.887 1.785 6.830 1.00 0.54 H new ATOM 0 HD2 LYS B 57 21.499 3.929 5.695 1.00 0.61 H new ATOM 0 HD3 LYS B 57 20.573 4.522 7.060 1.00 0.61 H new ATOM 0 HE2 LYS B 57 22.628 4.246 8.501 1.00 0.79 H new ATOM 0 HE3 LYS B 57 23.529 3.805 7.064 1.00 0.79 H new ATOM 0 HZ1 LYS B 57 23.665 6.193 7.734 1.00 1.27 H new ATOM 0 HZ2 LYS B 57 23.183 5.934 6.126 1.00 1.27 H new ATOM 0 HZ3 LYS B 57 22.032 6.359 7.299 1.00 1.27 H new ATOM 3194 N LEU B 58 18.054 0.135 4.853 1.00 0.27 N ATOM 3195 CA LEU B 58 16.784 -0.071 4.157 1.00 0.25 C ATOM 3196 C LEU B 58 16.044 -1.297 4.667 1.00 0.24 C ATOM 3197 O LEU B 58 14.896 -1.198 5.088 1.00 0.26 O ATOM 3198 CB LEU B 58 16.984 -0.201 2.646 1.00 0.22 C ATOM 3199 CG LEU B 58 15.678 -0.370 1.875 1.00 0.22 C ATOM 3200 CD1 LEU B 58 14.800 0.836 2.083 1.00 0.26 C ATOM 3201 CD2 LEU B 58 15.915 -0.570 0.397 1.00 0.23 C ATOM 0 H LEU B 58 18.855 0.248 4.232 1.00 0.27 H new ATOM 0 HA LEU B 58 16.181 0.813 4.365 1.00 0.25 H new ATOM 0 HB2 LEU B 58 17.503 0.684 2.278 1.00 0.22 H new ATOM 0 HB3 LEU B 58 17.630 -1.056 2.444 1.00 0.22 H new ATOM 0 HG LEU B 58 15.185 -1.263 2.259 1.00 0.22 H new ATOM 0 HD11 LEU B 58 13.870 0.708 1.530 1.00 0.26 H new ATOM 0 HD12 LEU B 58 14.579 0.946 3.145 1.00 0.26 H new ATOM 0 HD13 LEU B 58 15.315 1.727 1.725 1.00 0.26 H new ATOM 0 HD21 LEU B 58 14.958 -0.686 -0.112 1.00 0.23 H new ATOM 0 HD22 LEU B 58 16.439 0.296 -0.008 1.00 0.23 H new ATOM 0 HD23 LEU B 58 16.519 -1.464 0.243 1.00 0.23 H new ATOM 3213 N MET B 59 16.692 -2.451 4.610 1.00 0.24 N ATOM 3214 CA MET B 59 16.090 -3.677 5.124 1.00 0.27 C ATOM 3215 C MET B 59 15.636 -3.492 6.567 1.00 0.34 C ATOM 3216 O MET B 59 14.544 -3.892 6.936 1.00 0.41 O ATOM 3217 CB MET B 59 17.069 -4.846 5.030 1.00 0.28 C ATOM 3218 CG MET B 59 16.613 -6.090 5.781 1.00 0.30 C ATOM 3219 SD MET B 59 14.914 -6.558 5.398 1.00 0.31 S ATOM 3220 CE MET B 59 15.049 -6.973 3.669 1.00 0.25 C ATOM 0 H MET B 59 17.626 -2.567 4.217 1.00 0.24 H new ATOM 0 HA MET B 59 15.219 -3.903 4.509 1.00 0.27 H new ATOM 0 HB2 MET B 59 17.217 -5.100 3.981 1.00 0.28 H new ATOM 0 HB3 MET B 59 18.036 -4.531 5.421 1.00 0.28 H new ATOM 0 HG2 MET B 59 17.277 -6.919 5.537 1.00 0.30 H new ATOM 0 HG3 MET B 59 16.703 -5.915 6.853 1.00 0.30 H new ATOM 0 HE1 MET B 59 14.107 -7.399 3.322 1.00 0.25 H new ATOM 0 HE2 MET B 59 15.273 -6.074 3.095 1.00 0.25 H new ATOM 0 HE3 MET B 59 15.849 -7.700 3.531 1.00 0.25 H new ATOM 3230 N SER B 60 16.462 -2.841 7.361 1.00 0.39 N ATOM 3231 CA SER B 60 16.158 -2.631 8.766 1.00 0.51 C ATOM 3232 C SER B 60 15.034 -1.603 8.936 1.00 0.44 C ATOM 3233 O SER B 60 14.491 -1.438 10.029 1.00 0.51 O ATOM 3234 CB SER B 60 17.425 -2.182 9.494 1.00 0.70 C ATOM 3235 OG SER B 60 17.206 -2.044 10.888 1.00 1.36 O ATOM 0 H SER B 60 17.352 -2.446 7.058 1.00 0.39 H new ATOM 0 HA SER B 60 15.810 -3.568 9.200 1.00 0.51 H new ATOM 0 HB2 SER B 60 18.221 -2.906 9.320 1.00 0.70 H new ATOM 0 HB3 SER B 60 17.764 -1.231 9.083 1.00 0.70 H new ATOM 0 HG SER B 60 16.259 -1.853 11.053 1.00 1.36 H new ATOM 3241 N ASN B 61 14.698 -0.909 7.854 1.00 0.37 N ATOM 3242 CA ASN B 61 13.610 0.057 7.857 1.00 0.42 C ATOM 3243 C ASN B 61 12.315 -0.609 7.423 1.00 0.44 C ATOM 3244 O ASN B 61 11.226 -0.105 7.691 1.00 0.64 O ATOM 3245 CB ASN B 61 13.948 1.248 6.961 1.00 0.46 C ATOM 3246 CG ASN B 61 14.916 2.211 7.627 1.00 0.47 C ATOM 3247 OD1 ASN B 61 15.701 1.830 8.495 1.00 0.96 O ATOM 3248 ND2 ASN B 61 14.870 3.468 7.227 1.00 0.92 N ATOM 0 H ASN B 61 15.171 -1.001 6.955 1.00 0.37 H new ATOM 0 HA ASN B 61 13.475 0.432 8.872 1.00 0.42 H new ATOM 0 HB2 ASN B 61 14.381 0.887 6.028 1.00 0.46 H new ATOM 0 HB3 ASN B 61 13.031 1.778 6.703 1.00 0.46 H new ATOM 0 HD21 ASN B 61 15.498 4.158 7.640 1.00 0.92 H new ATOM 0 HD22 ASN B 61 14.207 3.749 6.505 1.00 0.92 H new ATOM 3255 N LEU B 62 12.444 -1.751 6.755 1.00 0.33 N ATOM 3256 CA LEU B 62 11.287 -2.532 6.342 1.00 0.39 C ATOM 3257 C LEU B 62 11.228 -3.848 7.091 1.00 0.54 C ATOM 3258 O LEU B 62 10.482 -4.739 6.723 1.00 1.18 O ATOM 3259 CB LEU B 62 11.315 -2.834 4.844 1.00 0.35 C ATOM 3260 CG LEU B 62 10.933 -1.688 3.918 1.00 0.25 C ATOM 3261 CD1 LEU B 62 9.669 -1.003 4.405 1.00 0.24 C ATOM 3262 CD2 LEU B 62 12.072 -0.707 3.772 1.00 0.22 C ATOM 0 H LEU B 62 13.342 -2.156 6.488 1.00 0.33 H new ATOM 0 HA LEU B 62 10.408 -1.930 6.572 1.00 0.39 H new ATOM 0 HB2 LEU B 62 12.319 -3.166 4.581 1.00 0.35 H new ATOM 0 HB3 LEU B 62 10.642 -3.669 4.651 1.00 0.35 H new ATOM 0 HG LEU B 62 10.728 -2.101 2.930 1.00 0.25 H new ATOM 0 HD11 LEU B 62 9.414 -0.187 3.729 1.00 0.24 H new ATOM 0 HD12 LEU B 62 8.851 -1.723 4.430 1.00 0.24 H new ATOM 0 HD13 LEU B 62 9.833 -0.606 5.407 1.00 0.24 H new ATOM 0 HD21 LEU B 62 11.773 0.102 3.105 1.00 0.22 H new ATOM 0 HD22 LEU B 62 12.326 -0.296 4.749 1.00 0.22 H new ATOM 0 HD23 LEU B 62 12.941 -1.217 3.356 1.00 0.22 H new ATOM 3274 N ASP B 63 12.023 -3.981 8.129 1.00 0.31 N ATOM 3275 CA ASP B 63 12.037 -5.213 8.894 1.00 0.33 C ATOM 3276 C ASP B 63 12.111 -4.908 10.374 1.00 0.37 C ATOM 3277 O ASP B 63 13.178 -4.619 10.918 1.00 0.43 O ATOM 3278 CB ASP B 63 13.198 -6.108 8.463 1.00 0.40 C ATOM 3279 CG ASP B 63 13.271 -7.397 9.253 1.00 0.38 C ATOM 3280 OD1 ASP B 63 12.263 -7.771 9.893 1.00 1.15 O ATOM 3281 OD2 ASP B 63 14.350 -8.033 9.250 1.00 1.08 O ATOM 0 H ASP B 63 12.663 -3.261 8.463 1.00 0.31 H new ATOM 0 HA ASP B 63 11.110 -5.753 8.698 1.00 0.33 H new ATOM 0 HB2 ASP B 63 13.096 -6.342 7.403 1.00 0.40 H new ATOM 0 HB3 ASP B 63 14.134 -5.562 8.580 1.00 0.40 H new ATOM 3286 N SER B 64 10.956 -4.933 11.009 1.00 0.43 N ATOM 3287 CA SER B 64 10.861 -4.671 12.429 1.00 0.52 C ATOM 3288 C SER B 64 10.988 -5.968 13.224 1.00 0.58 C ATOM 3289 O SER B 64 10.994 -5.957 14.456 1.00 0.71 O ATOM 3290 CB SER B 64 9.536 -3.973 12.725 1.00 0.67 C ATOM 3291 OG SER B 64 9.384 -2.823 11.905 1.00 1.14 O ATOM 0 H SER B 64 10.064 -5.134 10.558 1.00 0.43 H new ATOM 0 HA SER B 64 11.680 -4.018 12.732 1.00 0.52 H new ATOM 0 HB2 SER B 64 8.709 -4.662 12.552 1.00 0.67 H new ATOM 0 HB3 SER B 64 9.497 -3.685 13.776 1.00 0.67 H new ATOM 0 HG SER B 64 8.958 -3.078 11.060 1.00 1.14 H new ATOM 3297 N ASN B 65 11.103 -7.084 12.511 1.00 0.60 N ATOM 3298 CA ASN B 65 11.262 -8.386 13.148 1.00 0.75 C ATOM 3299 C ASN B 65 12.739 -8.752 13.191 1.00 0.76 C ATOM 3300 O ASN B 65 13.185 -9.540 14.031 1.00 0.91 O ATOM 3301 CB ASN B 65 10.471 -9.446 12.374 1.00 0.89 C ATOM 3302 CG ASN B 65 10.500 -10.809 13.037 1.00 1.52 C ATOM 3303 OD1 ASN B 65 9.708 -11.094 13.938 1.00 1.87 O ATOM 3304 ND2 ASN B 65 11.383 -11.674 12.573 1.00 2.34 N ATOM 0 H ASN B 65 11.089 -7.112 11.491 1.00 0.60 H new ATOM 0 HA ASN B 65 10.877 -8.342 14.167 1.00 0.75 H new ATOM 0 HB2 ASN B 65 9.436 -9.118 12.275 1.00 0.89 H new ATOM 0 HB3 ASN B 65 10.877 -9.530 11.366 1.00 0.89 H new ATOM 0 HD21 ASN B 65 11.427 -12.616 12.961 1.00 2.34 H new ATOM 0 HD22 ASN B 65 12.022 -11.400 11.826 1.00 2.34 H new ATOM 3311 N ARG B 66 13.485 -8.132 12.287 1.00 0.68 N ATOM 3312 CA ARG B 66 14.933 -8.261 12.207 1.00 0.81 C ATOM 3313 C ARG B 66 15.367 -9.692 11.926 1.00 0.88 C ATOM 3314 O ARG B 66 15.928 -10.372 12.788 1.00 1.11 O ATOM 3315 CB ARG B 66 15.610 -7.719 13.467 1.00 1.04 C ATOM 3316 CG ARG B 66 15.429 -6.220 13.643 1.00 1.10 C ATOM 3317 CD ARG B 66 16.227 -5.695 14.821 1.00 1.39 C ATOM 3318 NE ARG B 66 15.771 -6.251 16.092 1.00 2.08 N ATOM 3319 CZ ARG B 66 16.534 -6.334 17.179 1.00 2.77 C ATOM 3320 NH1 ARG B 66 17.811 -5.972 17.129 1.00 2.86 N ATOM 3321 NH2 ARG B 66 16.021 -6.786 18.313 1.00 3.79 N ATOM 0 H ARG B 66 13.093 -7.514 11.576 1.00 0.68 H new ATOM 0 HA ARG B 66 15.258 -7.655 11.361 1.00 0.81 H new ATOM 0 HB2 ARG B 66 15.206 -8.233 14.339 1.00 1.04 H new ATOM 0 HB3 ARG B 66 16.675 -7.948 13.427 1.00 1.04 H new ATOM 0 HG2 ARG B 66 15.741 -5.706 12.734 1.00 1.10 H new ATOM 0 HG3 ARG B 66 14.373 -5.995 13.790 1.00 1.10 H new ATOM 0 HD2 ARG B 66 17.281 -5.935 14.679 1.00 1.39 H new ATOM 0 HD3 ARG B 66 16.150 -4.608 14.854 1.00 1.39 H new ATOM 0 HE ARG B 66 14.813 -6.595 16.150 1.00 2.08 H new ATOM 0 HH11 ARG B 66 18.210 -5.629 16.255 1.00 2.86 H new ATOM 0 HH12 ARG B 66 18.393 -6.037 17.964 1.00 2.86 H new ATOM 0 HH21 ARG B 66 15.042 -7.070 18.352 1.00 3.79 H new ATOM 0 HH22 ARG B 66 16.605 -6.850 19.147 1.00 3.79 H new ATOM 3335 N ASP B 67 15.073 -10.156 10.722 1.00 0.75 N ATOM 3336 CA ASP B 67 15.627 -11.410 10.226 1.00 0.88 C ATOM 3337 C ASP B 67 16.209 -11.204 8.835 1.00 0.77 C ATOM 3338 O ASP B 67 16.431 -12.160 8.093 1.00 0.96 O ATOM 3339 CB ASP B 67 14.598 -12.556 10.241 1.00 1.00 C ATOM 3340 CG ASP B 67 13.331 -12.280 9.456 1.00 1.39 C ATOM 3341 OD1 ASP B 67 12.365 -11.770 10.055 1.00 1.95 O ATOM 3342 OD2 ASP B 67 13.272 -12.622 8.258 1.00 1.93 O ATOM 0 H ASP B 67 14.452 -9.682 10.066 1.00 0.75 H new ATOM 0 HA ASP B 67 16.426 -11.712 10.903 1.00 0.88 H new ATOM 0 HB2 ASP B 67 15.069 -13.454 9.841 1.00 1.00 H new ATOM 0 HB3 ASP B 67 14.329 -12.771 11.275 1.00 1.00 H new ATOM 3347 N ASN B 68 16.457 -9.928 8.512 1.00 0.62 N ATOM 3348 CA ASN B 68 17.139 -9.520 7.274 1.00 0.55 C ATOM 3349 C ASN B 68 16.215 -9.651 6.077 1.00 0.43 C ATOM 3350 O ASN B 68 16.637 -9.502 4.927 1.00 0.57 O ATOM 3351 CB ASN B 68 18.400 -10.349 7.039 1.00 0.77 C ATOM 3352 CG ASN B 68 19.365 -9.705 6.056 1.00 1.30 C ATOM 3353 OD1 ASN B 68 19.446 -8.481 5.951 1.00 1.41 O ATOM 3354 ND2 ASN B 68 20.108 -10.531 5.337 1.00 2.22 N ATOM 0 H ASN B 68 16.189 -9.143 9.106 1.00 0.62 H new ATOM 0 HA ASN B 68 17.424 -8.474 7.390 1.00 0.55 H new ATOM 0 HB2 ASN B 68 18.909 -10.502 7.991 1.00 0.77 H new ATOM 0 HB3 ASN B 68 18.116 -11.334 6.667 1.00 0.77 H new ATOM 0 HD21 ASN B 68 20.779 -10.159 4.665 1.00 2.22 H new ATOM 0 HD22 ASN B 68 20.010 -11.539 5.455 1.00 2.22 H new ATOM 3361 N GLU B 69 14.948 -9.904 6.351 1.00 0.42 N ATOM 3362 CA GLU B 69 13.982 -10.182 5.313 1.00 0.42 C ATOM 3363 C GLU B 69 12.613 -9.628 5.706 1.00 0.39 C ATOM 3364 O GLU B 69 12.237 -9.634 6.878 1.00 0.54 O ATOM 3365 CB GLU B 69 13.883 -11.688 5.055 1.00 0.60 C ATOM 3366 CG GLU B 69 15.220 -12.418 5.012 1.00 1.04 C ATOM 3367 CD GLU B 69 15.125 -13.761 4.316 1.00 1.44 C ATOM 3368 OE1 GLU B 69 15.147 -13.797 3.065 1.00 2.09 O ATOM 3369 OE2 GLU B 69 15.025 -14.790 5.018 1.00 1.84 O ATOM 0 H GLU B 69 14.565 -9.922 7.296 1.00 0.42 H new ATOM 0 HA GLU B 69 14.314 -9.695 4.396 1.00 0.42 H new ATOM 0 HB2 GLU B 69 13.265 -12.136 5.833 1.00 0.60 H new ATOM 0 HB3 GLU B 69 13.367 -11.847 4.108 1.00 0.60 H new ATOM 0 HG2 GLU B 69 15.953 -11.797 4.498 1.00 1.04 H new ATOM 0 HG3 GLU B 69 15.583 -12.564 6.029 1.00 1.04 H new ATOM 3376 N VAL B 70 11.878 -9.161 4.714 1.00 0.28 N ATOM 3377 CA VAL B 70 10.589 -8.520 4.922 1.00 0.25 C ATOM 3378 C VAL B 70 9.427 -9.501 4.791 1.00 0.25 C ATOM 3379 O VAL B 70 9.311 -10.218 3.792 1.00 0.33 O ATOM 3380 CB VAL B 70 10.410 -7.357 3.928 1.00 0.26 C ATOM 3381 CG1 VAL B 70 8.964 -6.923 3.829 1.00 0.29 C ATOM 3382 CG2 VAL B 70 11.258 -6.193 4.357 1.00 0.30 C ATOM 0 H VAL B 70 12.158 -9.215 3.735 1.00 0.28 H new ATOM 0 HA VAL B 70 10.579 -8.137 5.942 1.00 0.25 H new ATOM 0 HB VAL B 70 10.723 -7.706 2.944 1.00 0.26 H new ATOM 0 HG11 VAL B 70 8.879 -6.101 3.118 1.00 0.29 H new ATOM 0 HG12 VAL B 70 8.355 -7.761 3.489 1.00 0.29 H new ATOM 0 HG13 VAL B 70 8.615 -6.594 4.808 1.00 0.29 H new ATOM 0 HG21 VAL B 70 11.130 -5.371 3.653 1.00 0.30 H new ATOM 0 HG22 VAL B 70 10.954 -5.869 5.352 1.00 0.30 H new ATOM 0 HG23 VAL B 70 12.305 -6.494 4.377 1.00 0.30 H new ATOM 3392 N ASP B 71 8.576 -9.517 5.814 1.00 0.25 N ATOM 3393 CA ASP B 71 7.393 -10.374 5.845 1.00 0.29 C ATOM 3394 C ASP B 71 6.211 -9.656 5.178 1.00 0.22 C ATOM 3395 O ASP B 71 6.375 -8.558 4.658 1.00 0.21 O ATOM 3396 CB ASP B 71 7.067 -10.762 7.293 1.00 0.42 C ATOM 3397 CG ASP B 71 6.055 -11.887 7.397 1.00 1.18 C ATOM 3398 OD1 ASP B 71 6.442 -13.063 7.249 1.00 1.72 O ATOM 3399 OD2 ASP B 71 4.864 -11.595 7.627 1.00 2.06 O ATOM 0 H ASP B 71 8.687 -8.936 6.645 1.00 0.25 H new ATOM 0 HA ASP B 71 7.590 -11.289 5.287 1.00 0.29 H new ATOM 0 HB2 ASP B 71 7.986 -11.061 7.798 1.00 0.42 H new ATOM 0 HB3 ASP B 71 6.684 -9.888 7.819 1.00 0.42 H new ATOM 3404 N PHE B 72 5.027 -10.257 5.213 1.00 0.21 N ATOM 3405 CA PHE B 72 3.913 -9.806 4.382 1.00 0.19 C ATOM 3406 C PHE B 72 3.425 -8.398 4.745 1.00 0.15 C ATOM 3407 O PHE B 72 3.371 -7.527 3.875 1.00 0.14 O ATOM 3408 CB PHE B 72 2.751 -10.798 4.450 1.00 0.21 C ATOM 3409 CG PHE B 72 1.945 -10.858 3.178 1.00 0.20 C ATOM 3410 CD1 PHE B 72 2.088 -9.884 2.199 1.00 1.19 C ATOM 3411 CD2 PHE B 72 1.058 -11.897 2.955 1.00 1.18 C ATOM 3412 CE1 PHE B 72 1.361 -9.943 1.027 1.00 1.20 C ATOM 3413 CE2 PHE B 72 0.329 -11.964 1.784 1.00 1.20 C ATOM 3414 CZ PHE B 72 0.481 -10.986 0.818 1.00 0.32 C ATOM 0 H PHE B 72 4.812 -11.058 5.807 1.00 0.21 H new ATOM 0 HA PHE B 72 4.292 -9.759 3.361 1.00 0.19 H new ATOM 0 HB2 PHE B 72 3.142 -11.791 4.672 1.00 0.21 H new ATOM 0 HB3 PHE B 72 2.095 -10.523 5.275 1.00 0.21 H new ATOM 0 HD1 PHE B 72 2.778 -9.068 2.357 1.00 1.19 H new ATOM 0 HD2 PHE B 72 0.935 -12.664 3.705 1.00 1.18 H new ATOM 0 HE1 PHE B 72 1.480 -9.176 0.276 1.00 1.20 H new ATOM 0 HE2 PHE B 72 -0.360 -12.780 1.623 1.00 1.20 H new ATOM 0 HZ PHE B 72 -0.088 -11.038 -0.099 1.00 0.32 H new ATOM 3424 N GLN B 73 3.071 -8.156 6.007 1.00 0.15 N ATOM 3425 CA GLN B 73 2.512 -6.851 6.373 1.00 0.14 C ATOM 3426 C GLN B 73 3.584 -5.780 6.254 1.00 0.12 C ATOM 3427 O GLN B 73 3.294 -4.663 5.833 1.00 0.13 O ATOM 3428 CB GLN B 73 1.907 -6.840 7.787 1.00 0.16 C ATOM 3429 CG GLN B 73 0.816 -5.799 7.967 1.00 0.26 C ATOM 3430 CD GLN B 73 0.359 -5.686 9.406 1.00 0.22 C ATOM 3431 OE1 GLN B 73 -0.554 -6.389 9.842 1.00 0.68 O ATOM 3432 NE2 GLN B 73 0.985 -4.793 10.155 1.00 0.60 N ATOM 0 H GLN B 73 3.157 -8.823 6.774 1.00 0.15 H new ATOM 0 HA GLN B 73 1.698 -6.642 5.679 1.00 0.14 H new ATOM 0 HB2 GLN B 73 1.498 -7.826 8.007 1.00 0.16 H new ATOM 0 HB3 GLN B 73 2.699 -6.654 8.512 1.00 0.16 H new ATOM 0 HG2 GLN B 73 1.182 -4.830 7.628 1.00 0.26 H new ATOM 0 HG3 GLN B 73 -0.036 -6.056 7.337 1.00 0.26 H new ATOM 0 HE21 GLN B 73 1.736 -4.230 9.757 1.00 0.60 H new ATOM 0 HE22 GLN B 73 0.716 -4.668 11.131 1.00 0.60 H new ATOM 3441 N GLU B 74 4.831 -6.142 6.565 1.00 0.14 N ATOM 3442 CA GLU B 74 5.932 -5.203 6.508 1.00 0.17 C ATOM 3443 C GLU B 74 6.265 -4.899 5.046 1.00 0.14 C ATOM 3444 O GLU B 74 6.770 -3.827 4.718 1.00 0.16 O ATOM 3445 CB GLU B 74 7.151 -5.764 7.236 1.00 0.27 C ATOM 3446 CG GLU B 74 7.977 -4.705 7.955 1.00 0.38 C ATOM 3447 CD GLU B 74 7.465 -4.369 9.343 1.00 0.43 C ATOM 3448 OE1 GLU B 74 6.813 -5.229 9.971 1.00 1.10 O ATOM 3449 OE2 GLU B 74 7.752 -3.255 9.832 1.00 1.21 O ATOM 0 H GLU B 74 5.094 -7.083 6.858 1.00 0.14 H new ATOM 0 HA GLU B 74 5.642 -4.278 7.006 1.00 0.17 H new ATOM 0 HB2 GLU B 74 6.820 -6.507 7.961 1.00 0.27 H new ATOM 0 HB3 GLU B 74 7.786 -6.281 6.517 1.00 0.27 H new ATOM 0 HG2 GLU B 74 9.008 -5.051 8.032 1.00 0.38 H new ATOM 0 HG3 GLU B 74 7.990 -3.797 7.353 1.00 0.38 H new ATOM 3456 N TYR B 75 5.964 -5.855 4.171 1.00 0.14 N ATOM 3457 CA TYR B 75 6.107 -5.664 2.731 1.00 0.14 C ATOM 3458 C TYR B 75 5.084 -4.663 2.237 1.00 0.11 C ATOM 3459 O TYR B 75 5.362 -3.853 1.360 1.00 0.13 O ATOM 3460 CB TYR B 75 5.938 -7.004 1.988 1.00 0.16 C ATOM 3461 CG TYR B 75 5.994 -6.891 0.476 1.00 0.17 C ATOM 3462 CD1 TYR B 75 4.884 -6.485 -0.258 1.00 1.19 C ATOM 3463 CD2 TYR B 75 7.162 -7.181 -0.211 1.00 1.21 C ATOM 3464 CE1 TYR B 75 4.939 -6.367 -1.634 1.00 1.20 C ATOM 3465 CE2 TYR B 75 7.227 -7.064 -1.589 1.00 1.22 C ATOM 3466 CZ TYR B 75 6.112 -6.657 -2.294 1.00 0.22 C ATOM 3467 OH TYR B 75 6.172 -6.539 -3.663 1.00 0.26 O ATOM 0 H TYR B 75 5.617 -6.776 4.437 1.00 0.14 H new ATOM 0 HA TYR B 75 7.107 -5.280 2.529 1.00 0.14 H new ATOM 0 HB2 TYR B 75 6.718 -7.690 2.318 1.00 0.16 H new ATOM 0 HB3 TYR B 75 4.983 -7.446 2.273 1.00 0.16 H new ATOM 0 HD1 TYR B 75 3.962 -6.258 0.257 1.00 1.19 H new ATOM 0 HD2 TYR B 75 8.035 -7.503 0.337 1.00 1.21 H new ATOM 0 HE1 TYR B 75 4.068 -6.049 -2.188 1.00 1.20 H new ATOM 0 HE2 TYR B 75 8.146 -7.290 -2.110 1.00 1.22 H new ATOM 0 HH TYR B 75 6.658 -5.722 -3.900 1.00 0.26 H new ATOM 3477 N CYS B 76 3.903 -4.712 2.809 1.00 0.11 N ATOM 3478 CA CYS B 76 2.819 -3.892 2.331 1.00 0.12 C ATOM 3479 C CYS B 76 2.842 -2.511 2.971 1.00 0.12 C ATOM 3480 O CYS B 76 2.568 -1.518 2.302 1.00 0.13 O ATOM 3481 CB CYS B 76 1.493 -4.594 2.588 1.00 0.14 C ATOM 3482 SG CYS B 76 1.442 -6.298 1.989 1.00 0.22 S ATOM 0 H CYS B 76 3.671 -5.309 3.603 1.00 0.11 H new ATOM 0 HA CYS B 76 2.940 -3.748 1.257 1.00 0.12 H new ATOM 0 HB2 CYS B 76 1.292 -4.589 3.659 1.00 0.14 H new ATOM 0 HB3 CYS B 76 0.694 -4.027 2.111 1.00 0.14 H new ATOM 0 HG CYS B 76 2.074 -7.070 2.822 1.00 0.22 H new ATOM 3488 N VAL B 77 3.167 -2.436 4.257 1.00 0.13 N ATOM 3489 CA VAL B 77 3.360 -1.142 4.902 1.00 0.14 C ATOM 3490 C VAL B 77 4.477 -0.407 4.184 1.00 0.14 C ATOM 3491 O VAL B 77 4.404 0.794 3.986 1.00 0.19 O ATOM 3492 CB VAL B 77 3.695 -1.281 6.403 1.00 0.16 C ATOM 3493 CG1 VAL B 77 4.876 -2.191 6.568 1.00 0.14 C ATOM 3494 CG2 VAL B 77 3.985 0.065 7.049 1.00 0.20 C ATOM 0 H VAL B 77 3.301 -3.243 4.866 1.00 0.13 H new ATOM 0 HA VAL B 77 2.427 -0.582 4.837 1.00 0.14 H new ATOM 0 HB VAL B 77 2.824 -1.703 6.904 1.00 0.16 H new ATOM 0 HG11 VAL B 77 5.114 -2.290 7.627 1.00 0.14 H new ATOM 0 HG12 VAL B 77 4.640 -3.172 6.156 1.00 0.14 H new ATOM 0 HG13 VAL B 77 5.734 -1.773 6.041 1.00 0.14 H new ATOM 0 HG21 VAL B 77 4.216 -0.080 8.104 1.00 0.20 H new ATOM 0 HG22 VAL B 77 4.836 0.531 6.552 1.00 0.20 H new ATOM 0 HG23 VAL B 77 3.111 0.710 6.954 1.00 0.20 H new ATOM 3504 N PHE B 78 5.487 -1.166 3.774 1.00 0.11 N ATOM 3505 CA PHE B 78 6.535 -0.679 2.891 1.00 0.11 C ATOM 3506 C PHE B 78 5.935 0.120 1.747 1.00 0.11 C ATOM 3507 O PHE B 78 6.376 1.225 1.432 1.00 0.11 O ATOM 3508 CB PHE B 78 7.299 -1.886 2.341 1.00 0.12 C ATOM 3509 CG PHE B 78 8.078 -1.624 1.090 1.00 0.12 C ATOM 3510 CD1 PHE B 78 9.363 -1.140 1.163 1.00 1.17 C ATOM 3511 CD2 PHE B 78 7.523 -1.879 -0.156 1.00 1.18 C ATOM 3512 CE1 PHE B 78 10.094 -0.910 0.016 1.00 1.18 C ATOM 3513 CE2 PHE B 78 8.242 -1.648 -1.309 1.00 1.18 C ATOM 3514 CZ PHE B 78 9.533 -1.163 -1.222 1.00 0.15 C ATOM 0 H PHE B 78 5.600 -2.142 4.048 1.00 0.11 H new ATOM 0 HA PHE B 78 7.210 -0.025 3.444 1.00 0.11 H new ATOM 0 HB2 PHE B 78 7.984 -2.245 3.109 1.00 0.12 H new ATOM 0 HB3 PHE B 78 6.588 -2.690 2.147 1.00 0.12 H new ATOM 0 HD1 PHE B 78 9.804 -0.938 2.128 1.00 1.17 H new ATOM 0 HD2 PHE B 78 6.516 -2.263 -0.223 1.00 1.18 H new ATOM 0 HE1 PHE B 78 11.104 -0.533 0.085 1.00 1.18 H new ATOM 0 HE2 PHE B 78 7.799 -1.845 -2.274 1.00 1.18 H new ATOM 0 HZ PHE B 78 10.104 -0.982 -2.121 1.00 0.15 H new ATOM 3524 N LEU B 79 4.907 -0.454 1.149 1.00 0.14 N ATOM 3525 CA LEU B 79 4.248 0.140 0.011 1.00 0.16 C ATOM 3526 C LEU B 79 3.526 1.419 0.373 1.00 0.17 C ATOM 3527 O LEU B 79 3.655 2.435 -0.310 1.00 0.20 O ATOM 3528 CB LEU B 79 3.275 -0.854 -0.602 1.00 0.15 C ATOM 3529 CG LEU B 79 3.893 -1.799 -1.618 1.00 0.15 C ATOM 3530 CD1 LEU B 79 3.783 -3.239 -1.172 1.00 0.19 C ATOM 3531 CD2 LEU B 79 3.223 -1.598 -2.945 1.00 0.14 C ATOM 0 H LEU B 79 4.509 -1.346 1.443 1.00 0.14 H new ATOM 0 HA LEU B 79 5.018 0.396 -0.717 1.00 0.16 H new ATOM 0 HB2 LEU B 79 2.827 -1.444 0.197 1.00 0.15 H new ATOM 0 HB3 LEU B 79 2.467 -0.302 -1.083 1.00 0.15 H new ATOM 0 HG LEU B 79 4.956 -1.574 -1.709 1.00 0.15 H new ATOM 0 HD11 LEU B 79 4.235 -3.888 -1.922 1.00 0.19 H new ATOM 0 HD12 LEU B 79 4.302 -3.366 -0.222 1.00 0.19 H new ATOM 0 HD13 LEU B 79 2.732 -3.503 -1.050 1.00 0.19 H new ATOM 0 HD21 LEU B 79 3.661 -2.273 -3.680 1.00 0.14 H new ATOM 0 HD22 LEU B 79 2.158 -1.807 -2.850 1.00 0.14 H new ATOM 0 HD23 LEU B 79 3.363 -0.567 -3.271 1.00 0.14 H new ATOM 3543 N SER B 80 2.789 1.381 1.455 1.00 0.19 N ATOM 3544 CA SER B 80 2.009 2.521 1.859 1.00 0.21 C ATOM 3545 C SER B 80 2.916 3.600 2.419 1.00 0.20 C ATOM 3546 O SER B 80 2.591 4.783 2.403 1.00 0.24 O ATOM 3547 CB SER B 80 0.969 2.074 2.865 1.00 0.22 C ATOM 3548 OG SER B 80 1.474 1.052 3.704 1.00 0.18 O ATOM 0 H SER B 80 2.714 0.572 2.071 1.00 0.19 H new ATOM 0 HA SER B 80 1.492 2.950 1.000 1.00 0.21 H new ATOM 0 HB2 SER B 80 0.657 2.924 3.471 1.00 0.22 H new ATOM 0 HB3 SER B 80 0.084 1.714 2.341 1.00 0.22 H new ATOM 0 HG SER B 80 0.733 0.497 4.026 1.00 0.18 H new ATOM 3554 N CYS B 81 4.070 3.171 2.887 1.00 0.17 N ATOM 3555 CA CYS B 81 5.111 4.069 3.328 1.00 0.18 C ATOM 3556 C CYS B 81 5.792 4.740 2.154 1.00 0.33 C ATOM 3557 O CYS B 81 6.525 5.696 2.339 1.00 0.72 O ATOM 3558 CB CYS B 81 6.123 3.323 4.176 1.00 0.30 C ATOM 3559 SG CYS B 81 5.430 2.732 5.729 1.00 1.83 S ATOM 0 H CYS B 81 4.311 2.183 2.972 1.00 0.17 H new ATOM 0 HA CYS B 81 4.650 4.849 3.935 1.00 0.18 H new ATOM 0 HB2 CYS B 81 6.510 2.476 3.610 1.00 0.30 H new ATOM 0 HB3 CYS B 81 6.968 3.979 4.386 1.00 0.30 H new ATOM 0 HG CYS B 81 4.943 3.736 6.397 1.00 1.83 H new ATOM 3565 N ILE B 82 5.590 4.217 0.953 1.00 0.17 N ATOM 3566 CA ILE B 82 6.013 4.927 -0.239 1.00 0.19 C ATOM 3567 C ILE B 82 4.940 5.933 -0.633 1.00 0.21 C ATOM 3568 O ILE B 82 5.215 7.116 -0.805 1.00 0.28 O ATOM 3569 CB ILE B 82 6.306 3.995 -1.438 1.00 0.19 C ATOM 3570 CG1 ILE B 82 7.446 3.031 -1.103 1.00 0.24 C ATOM 3571 CG2 ILE B 82 6.661 4.823 -2.667 1.00 0.24 C ATOM 3572 CD1 ILE B 82 8.187 2.519 -2.324 1.00 0.41 C ATOM 0 H ILE B 82 5.142 3.317 0.782 1.00 0.17 H new ATOM 0 HA ILE B 82 6.949 5.428 0.007 1.00 0.19 H new ATOM 0 HB ILE B 82 5.411 3.410 -1.651 1.00 0.19 H new ATOM 0 HG12 ILE B 82 8.153 3.533 -0.443 1.00 0.24 H new ATOM 0 HG13 ILE B 82 7.043 2.182 -0.551 1.00 0.24 H new ATOM 0 HG21 ILE B 82 6.866 4.159 -3.507 1.00 0.24 H new ATOM 0 HG22 ILE B 82 5.827 5.478 -2.918 1.00 0.24 H new ATOM 0 HG23 ILE B 82 7.545 5.425 -2.457 1.00 0.24 H new ATOM 0 HD11 ILE B 82 8.981 1.841 -2.010 1.00 0.41 H new ATOM 0 HD12 ILE B 82 7.493 1.988 -2.975 1.00 0.41 H new ATOM 0 HD13 ILE B 82 8.621 3.360 -2.865 1.00 0.41 H new ATOM 3584 N ALA B 83 3.712 5.453 -0.734 1.00 0.26 N ATOM 3585 CA ALA B 83 2.587 6.290 -1.132 1.00 0.32 C ATOM 3586 C ALA B 83 2.376 7.452 -0.164 1.00 0.32 C ATOM 3587 O ALA B 83 2.348 8.611 -0.568 1.00 0.35 O ATOM 3588 CB ALA B 83 1.332 5.448 -1.227 1.00 0.42 C ATOM 0 H ALA B 83 3.465 4.481 -0.545 1.00 0.26 H new ATOM 0 HA ALA B 83 2.813 6.717 -2.109 1.00 0.32 H new ATOM 0 HB1 ALA B 83 0.493 6.077 -1.525 1.00 0.42 H new ATOM 0 HB2 ALA B 83 1.477 4.662 -1.968 1.00 0.42 H new ATOM 0 HB3 ALA B 83 1.121 4.998 -0.257 1.00 0.42 H new ATOM 3594 N MET B 84 2.241 7.134 1.115 1.00 0.33 N ATOM 3595 CA MET B 84 2.011 8.138 2.151 1.00 0.36 C ATOM 3596 C MET B 84 3.260 8.969 2.394 1.00 0.36 C ATOM 3597 O MET B 84 3.200 10.052 2.967 1.00 0.48 O ATOM 3598 CB MET B 84 1.566 7.456 3.424 1.00 0.38 C ATOM 3599 CG MET B 84 1.377 8.379 4.611 1.00 0.44 C ATOM 3600 SD MET B 84 1.358 7.427 6.126 1.00 0.38 S ATOM 3601 CE MET B 84 2.565 6.205 5.629 1.00 0.22 C ATOM 0 H MET B 84 2.287 6.177 1.466 1.00 0.33 H new ATOM 0 HA MET B 84 1.226 8.816 1.815 1.00 0.36 H new ATOM 0 HB2 MET B 84 0.626 6.938 3.232 1.00 0.38 H new ATOM 0 HB3 MET B 84 2.301 6.695 3.687 1.00 0.38 H new ATOM 0 HG2 MET B 84 2.181 9.114 4.643 1.00 0.44 H new ATOM 0 HG3 MET B 84 0.444 8.932 4.507 1.00 0.44 H new ATOM 0 HE1 MET B 84 3.016 5.758 6.515 1.00 0.22 H new ATOM 0 HE2 MET B 84 2.076 5.429 5.040 1.00 0.22 H new ATOM 0 HE3 MET B 84 3.340 6.682 5.028 1.00 0.22 H new ATOM 3611 N MET B 85 4.396 8.457 1.973 1.00 0.28 N ATOM 3612 CA MET B 85 5.597 9.257 1.959 1.00 0.29 C ATOM 3613 C MET B 85 5.488 10.286 0.840 1.00 0.34 C ATOM 3614 O MET B 85 5.829 11.455 1.005 1.00 0.48 O ATOM 3615 CB MET B 85 6.810 8.389 1.745 1.00 0.28 C ATOM 3616 CG MET B 85 8.098 9.153 1.913 1.00 0.32 C ATOM 3617 SD MET B 85 9.376 8.606 0.765 1.00 0.29 S ATOM 3618 CE MET B 85 9.487 6.904 1.281 1.00 0.25 C ATOM 0 H MET B 85 4.512 7.500 1.639 1.00 0.28 H new ATOM 0 HA MET B 85 5.706 9.761 2.919 1.00 0.29 H new ATOM 0 HB2 MET B 85 6.788 7.558 2.450 1.00 0.28 H new ATOM 0 HB3 MET B 85 6.774 7.958 0.744 1.00 0.28 H new ATOM 0 HG2 MET B 85 7.909 10.216 1.763 1.00 0.32 H new ATOM 0 HG3 MET B 85 8.457 9.035 2.935 1.00 0.32 H new ATOM 0 HE1 MET B 85 10.535 6.624 1.388 1.00 0.25 H new ATOM 0 HE2 MET B 85 8.979 6.780 2.237 1.00 0.25 H new ATOM 0 HE3 MET B 85 9.015 6.266 0.534 1.00 0.25 H new ATOM 3628 N CYS B 86 4.971 9.820 -0.295 1.00 0.31 N ATOM 3629 CA CYS B 86 4.722 10.658 -1.462 1.00 0.34 C ATOM 3630 C CYS B 86 3.647 11.700 -1.163 1.00 0.39 C ATOM 3631 O CYS B 86 3.519 12.696 -1.869 1.00 0.46 O ATOM 3632 CB CYS B 86 4.289 9.774 -2.634 1.00 0.39 C ATOM 3633 SG CYS B 86 3.967 10.668 -4.164 1.00 0.94 S ATOM 0 H CYS B 86 4.712 8.843 -0.430 1.00 0.31 H new ATOM 0 HA CYS B 86 5.640 11.186 -1.721 1.00 0.34 H new ATOM 0 HB2 CYS B 86 5.065 9.031 -2.818 1.00 0.39 H new ATOM 0 HB3 CYS B 86 3.388 9.230 -2.349 1.00 0.39 H new ATOM 0 HG CYS B 86 4.857 11.603 -4.316 1.00 0.94 H new ATOM 3639 N ASN B 87 2.864 11.437 -0.128 1.00 0.45 N ATOM 3640 CA ASN B 87 1.887 12.395 0.392 1.00 0.58 C ATOM 3641 C ASN B 87 2.502 13.789 0.549 1.00 0.68 C ATOM 3642 O ASN B 87 1.869 14.790 0.233 1.00 0.89 O ATOM 3643 CB ASN B 87 1.361 11.901 1.744 1.00 0.72 C ATOM 3644 CG ASN B 87 0.273 12.775 2.337 1.00 1.10 C ATOM 3645 OD1 ASN B 87 -0.512 13.381 1.622 1.00 1.72 O ATOM 3646 ND2 ASN B 87 0.217 12.829 3.659 1.00 1.77 N ATOM 0 H ASN B 87 2.884 10.553 0.380 1.00 0.45 H new ATOM 0 HA ASN B 87 1.066 12.471 -0.320 1.00 0.58 H new ATOM 0 HB2 ASN B 87 0.975 10.889 1.625 1.00 0.72 H new ATOM 0 HB3 ASN B 87 2.192 11.845 2.447 1.00 0.72 H new ATOM 0 HD21 ASN B 87 -0.500 13.392 4.117 1.00 1.77 H new ATOM 0 HD22 ASN B 87 0.891 12.308 4.220 1.00 1.77 H new ATOM 3653 N GLU B 88 3.746 13.849 1.014 1.00 0.70 N ATOM 3654 CA GLU B 88 4.434 15.126 1.174 1.00 0.89 C ATOM 3655 C GLU B 88 4.810 15.714 -0.182 1.00 0.86 C ATOM 3656 O GLU B 88 4.824 16.928 -0.362 1.00 1.06 O ATOM 3657 CB GLU B 88 5.705 14.963 2.015 1.00 1.03 C ATOM 3658 CG GLU B 88 5.455 14.462 3.425 1.00 1.51 C ATOM 3659 CD GLU B 88 6.694 14.557 4.299 1.00 1.72 C ATOM 3660 OE1 GLU B 88 7.103 15.692 4.637 1.00 1.98 O ATOM 3661 OE2 GLU B 88 7.262 13.502 4.652 1.00 2.33 O ATOM 0 H GLU B 88 4.296 13.034 1.285 1.00 0.70 H new ATOM 0 HA GLU B 88 3.748 15.802 1.685 1.00 0.89 H new ATOM 0 HB2 GLU B 88 6.377 14.270 1.508 1.00 1.03 H new ATOM 0 HB3 GLU B 88 6.218 15.923 2.068 1.00 1.03 H new ATOM 0 HG2 GLU B 88 4.649 15.041 3.876 1.00 1.51 H new ATOM 0 HG3 GLU B 88 5.119 13.426 3.386 1.00 1.51 H new ATOM 3668 N PHE B 89 5.098 14.842 -1.131 1.00 0.69 N ATOM 3669 CA PHE B 89 5.636 15.251 -2.420 1.00 0.71 C ATOM 3670 C PHE B 89 4.539 15.524 -3.449 1.00 0.73 C ATOM 3671 O PHE B 89 4.302 16.672 -3.823 1.00 0.88 O ATOM 3672 CB PHE B 89 6.588 14.170 -2.932 1.00 0.69 C ATOM 3673 CG PHE B 89 7.776 13.958 -2.036 1.00 0.91 C ATOM 3674 CD1 PHE B 89 8.915 14.735 -2.178 1.00 1.65 C ATOM 3675 CD2 PHE B 89 7.750 12.989 -1.048 1.00 1.53 C ATOM 3676 CE1 PHE B 89 10.007 14.546 -1.352 1.00 1.99 C ATOM 3677 CE2 PHE B 89 8.837 12.795 -0.218 1.00 1.89 C ATOM 3678 CZ PHE B 89 9.967 13.575 -0.370 1.00 1.81 C ATOM 0 H PHE B 89 4.967 13.835 -1.033 1.00 0.69 H new ATOM 0 HA PHE B 89 6.174 16.188 -2.278 1.00 0.71 H new ATOM 0 HB2 PHE B 89 6.043 13.231 -3.031 1.00 0.69 H new ATOM 0 HB3 PHE B 89 6.936 14.443 -3.928 1.00 0.69 H new ATOM 0 HD1 PHE B 89 8.950 15.497 -2.943 1.00 1.65 H new ATOM 0 HD2 PHE B 89 6.869 12.377 -0.924 1.00 1.53 H new ATOM 0 HE1 PHE B 89 10.890 15.156 -1.474 1.00 1.99 H new ATOM 0 HE2 PHE B 89 8.804 12.035 0.548 1.00 1.89 H new ATOM 0 HZ PHE B 89 10.818 13.426 0.278 1.00 1.81 H new ATOM 3688 N PHE B 90 3.873 14.465 -3.892 1.00 0.63 N ATOM 3689 CA PHE B 90 2.874 14.559 -4.954 1.00 0.66 C ATOM 3690 C PHE B 90 1.645 15.317 -4.475 1.00 0.69 C ATOM 3691 O PHE B 90 1.263 16.334 -5.054 1.00 0.83 O ATOM 3692 CB PHE B 90 2.482 13.157 -5.413 1.00 0.69 C ATOM 3693 CG PHE B 90 1.527 13.129 -6.572 1.00 0.95 C ATOM 3694 CD1 PHE B 90 1.998 13.227 -7.872 1.00 1.79 C ATOM 3695 CD2 PHE B 90 0.165 12.993 -6.366 1.00 1.44 C ATOM 3696 CE1 PHE B 90 1.127 13.189 -8.943 1.00 2.09 C ATOM 3697 CE2 PHE B 90 -0.710 12.957 -7.433 1.00 1.68 C ATOM 3698 CZ PHE B 90 -0.229 13.053 -8.723 1.00 1.67 C ATOM 0 H PHE B 90 4.007 13.521 -3.529 1.00 0.63 H new ATOM 0 HA PHE B 90 3.305 15.107 -5.792 1.00 0.66 H new ATOM 0 HB2 PHE B 90 3.385 12.612 -5.688 1.00 0.69 H new ATOM 0 HB3 PHE B 90 2.032 12.626 -4.574 1.00 0.69 H new ATOM 0 HD1 PHE B 90 3.058 13.334 -8.049 1.00 1.79 H new ATOM 0 HD2 PHE B 90 -0.217 12.914 -5.359 1.00 1.44 H new ATOM 0 HE1 PHE B 90 1.506 13.266 -9.951 1.00 2.09 H new ATOM 0 HE2 PHE B 90 -1.771 12.854 -7.258 1.00 1.68 H new ATOM 0 HZ PHE B 90 -0.912 13.022 -9.559 1.00 1.67 H new ATOM 3708 N GLU B 91 1.025 14.802 -3.421 1.00 0.70 N ATOM 3709 CA GLU B 91 -0.102 15.469 -2.788 1.00 0.83 C ATOM 3710 C GLU B 91 0.344 16.826 -2.252 1.00 1.01 C ATOM 3711 O GLU B 91 -0.324 17.840 -2.457 1.00 1.21 O ATOM 3712 CB GLU B 91 -0.668 14.563 -1.683 1.00 0.95 C ATOM 3713 CG GLU B 91 -1.321 15.286 -0.512 1.00 1.64 C ATOM 3714 CD GLU B 91 -2.485 16.165 -0.904 1.00 2.04 C ATOM 3715 OE1 GLU B 91 -3.426 15.665 -1.543 1.00 2.45 O ATOM 3716 OE2 GLU B 91 -2.447 17.376 -0.607 1.00 2.62 O ATOM 0 H GLU B 91 1.287 13.918 -2.985 1.00 0.70 H new ATOM 0 HA GLU B 91 -0.898 15.650 -3.511 1.00 0.83 H new ATOM 0 HB2 GLU B 91 -1.403 13.892 -2.128 1.00 0.95 H new ATOM 0 HB3 GLU B 91 0.140 13.941 -1.298 1.00 0.95 H new ATOM 0 HG2 GLU B 91 -1.665 14.547 0.212 1.00 1.64 H new ATOM 0 HG3 GLU B 91 -0.570 15.897 -0.011 1.00 1.64 H new ATOM 3723 N GLY B 92 1.499 16.837 -1.609 1.00 1.09 N ATOM 3724 CA GLY B 92 2.033 18.068 -1.072 1.00 1.36 C ATOM 3725 C GLY B 92 1.455 18.389 0.285 1.00 1.53 C ATOM 3726 O GLY B 92 1.363 19.554 0.669 1.00 1.90 O ATOM 0 H GLY B 92 2.078 16.013 -1.449 1.00 1.09 H new ATOM 0 HA2 GLY B 92 3.117 17.990 -0.995 1.00 1.36 H new ATOM 0 HA3 GLY B 92 1.820 18.886 -1.760 1.00 1.36 H new ATOM 3730 N PHE B 93 1.050 17.357 1.011 1.00 1.50 N ATOM 3731 CA PHE B 93 0.500 17.537 2.346 1.00 1.82 C ATOM 3732 C PHE B 93 1.348 16.800 3.375 1.00 1.98 C ATOM 3733 O PHE B 93 1.083 15.651 3.724 1.00 2.12 O ATOM 3734 CB PHE B 93 -0.956 17.057 2.405 1.00 2.19 C ATOM 3735 CG PHE B 93 -1.644 17.344 3.712 1.00 2.75 C ATOM 3736 CD1 PHE B 93 -2.079 18.624 4.013 1.00 3.14 C ATOM 3737 CD2 PHE B 93 -1.860 16.333 4.635 1.00 3.37 C ATOM 3738 CE1 PHE B 93 -2.715 18.890 5.211 1.00 3.73 C ATOM 3739 CE2 PHE B 93 -2.495 16.594 5.833 1.00 3.97 C ATOM 3740 CZ PHE B 93 -2.922 17.874 6.121 1.00 4.00 C ATOM 0 H PHE B 93 1.092 16.387 0.698 1.00 1.50 H new ATOM 0 HA PHE B 93 0.517 18.601 2.581 1.00 1.82 H new ATOM 0 HB2 PHE B 93 -1.517 17.531 1.600 1.00 2.19 H new ATOM 0 HB3 PHE B 93 -0.981 15.983 2.221 1.00 2.19 H new ATOM 0 HD1 PHE B 93 -1.920 19.423 3.304 1.00 3.14 H new ATOM 0 HD2 PHE B 93 -1.528 15.329 4.415 1.00 3.37 H new ATOM 0 HE1 PHE B 93 -3.050 19.892 5.434 1.00 3.73 H new ATOM 0 HE2 PHE B 93 -2.657 15.797 6.544 1.00 3.97 H new ATOM 0 HZ PHE B 93 -3.418 18.080 7.058 1.00 4.00 H new ATOM 3750 N PRO B 94 2.403 17.456 3.854 1.00 2.52 N ATOM 3751 CA PRO B 94 3.274 16.932 4.894 1.00 3.07 C ATOM 3752 C PRO B 94 2.765 17.311 6.272 1.00 3.02 C ATOM 3753 O PRO B 94 3.508 17.831 7.104 1.00 3.41 O ATOM 3754 CB PRO B 94 4.616 17.619 4.606 1.00 3.84 C ATOM 3755 CG PRO B 94 4.343 18.677 3.574 1.00 3.90 C ATOM 3756 CD PRO B 94 2.853 18.769 3.410 1.00 3.08 C ATOM 0 HA PRO B 94 3.336 15.844 4.888 1.00 3.07 H new ATOM 0 HB2 PRO B 94 5.028 18.060 5.514 1.00 3.84 H new ATOM 0 HB3 PRO B 94 5.349 16.900 4.240 1.00 3.84 H new ATOM 0 HG2 PRO B 94 4.755 19.636 3.889 1.00 3.90 H new ATOM 0 HG3 PRO B 94 4.819 18.422 2.627 1.00 3.90 H new ATOM 0 HD2 PRO B 94 2.427 19.569 4.015 1.00 3.08 H new ATOM 0 HD3 PRO B 94 2.570 18.966 2.376 1.00 3.08 H new ATOM 3764 N ASP B 95 1.496 17.009 6.508 1.00 2.85 N ATOM 3765 CA ASP B 95 0.790 17.503 7.681 1.00 3.20 C ATOM 3766 C ASP B 95 0.865 19.030 7.701 1.00 3.38 C ATOM 3767 O ASP B 95 1.371 19.638 8.642 1.00 3.79 O ATOM 3768 CB ASP B 95 1.379 16.889 8.958 1.00 3.91 C ATOM 3769 CG ASP B 95 0.672 17.341 10.220 1.00 4.67 C ATOM 3770 OD1 ASP B 95 -0.487 16.929 10.435 1.00 5.19 O ATOM 3771 OD2 ASP B 95 1.273 18.099 11.013 1.00 5.10 O ATOM 0 H ASP B 95 0.931 16.419 5.897 1.00 2.85 H new ATOM 0 HA ASP B 95 -0.258 17.207 7.636 1.00 3.20 H new ATOM 0 HB2 ASP B 95 1.326 15.803 8.889 1.00 3.91 H new ATOM 0 HB3 ASP B 95 2.434 17.153 9.027 1.00 3.91 H new ATOM 3776 N LYS B 96 0.383 19.630 6.610 1.00 3.54 N ATOM 3777 CA LYS B 96 0.398 21.081 6.415 1.00 4.45 C ATOM 3778 C LYS B 96 1.805 21.600 6.147 1.00 4.54 C ATOM 3779 O LYS B 96 2.172 21.878 5.005 1.00 4.98 O ATOM 3780 CB LYS B 96 -0.232 21.814 7.607 1.00 5.36 C ATOM 3781 CG LYS B 96 -0.204 23.326 7.471 1.00 6.28 C ATOM 3782 CD LYS B 96 -0.673 24.006 8.742 1.00 7.13 C ATOM 3783 CE LYS B 96 -0.488 25.509 8.661 1.00 7.93 C ATOM 3784 NZ LYS B 96 -0.876 26.178 9.926 1.00 8.39 N ATOM 0 H LYS B 96 -0.032 19.118 5.831 1.00 3.54 H new ATOM 0 HA LYS B 96 -0.207 21.289 5.532 1.00 4.45 H new ATOM 0 HB2 LYS B 96 -1.265 21.486 7.720 1.00 5.36 H new ATOM 0 HB3 LYS B 96 0.294 21.529 8.518 1.00 5.36 H new ATOM 0 HG2 LYS B 96 0.809 23.653 7.235 1.00 6.28 H new ATOM 0 HG3 LYS B 96 -0.839 23.630 6.639 1.00 6.28 H new ATOM 0 HD2 LYS B 96 -1.724 23.775 8.914 1.00 7.13 H new ATOM 0 HD3 LYS B 96 -0.117 23.614 9.594 1.00 7.13 H new ATOM 0 HE2 LYS B 96 0.554 25.736 8.434 1.00 7.93 H new ATOM 0 HE3 LYS B 96 -1.087 25.906 7.841 1.00 7.93 H new ATOM 0 HZ1 LYS B 96 -0.736 27.204 9.833 1.00 8.39 H new ATOM 0 HZ2 LYS B 96 -1.877 25.982 10.130 1.00 8.39 H new ATOM 0 HZ3 LYS B 96 -0.288 25.817 10.704 1.00 8.39 H new ATOM 3798 N GLN B 97 2.576 21.724 7.198 1.00 4.59 N ATOM 3799 CA GLN B 97 3.929 22.262 7.104 1.00 5.12 C ATOM 3800 C GLN B 97 4.914 21.196 6.639 1.00 5.38 C ATOM 3801 O GLN B 97 5.008 20.125 7.236 1.00 5.51 O ATOM 3802 CB GLN B 97 4.378 22.843 8.444 1.00 5.83 C ATOM 3803 CG GLN B 97 3.590 24.072 8.869 1.00 6.21 C ATOM 3804 CD GLN B 97 3.648 25.187 7.843 1.00 6.95 C ATOM 3805 OE1 GLN B 97 2.802 25.273 6.952 1.00 7.21 O ATOM 3806 NE2 GLN B 97 4.649 26.042 7.955 1.00 7.59 N ATOM 0 H GLN B 97 2.295 21.459 8.142 1.00 4.59 H new ATOM 0 HA GLN B 97 3.914 23.062 6.364 1.00 5.12 H new ATOM 0 HB2 GLN B 97 4.283 22.077 9.213 1.00 5.83 H new ATOM 0 HB3 GLN B 97 5.435 23.103 8.382 1.00 5.83 H new ATOM 0 HG2 GLN B 97 2.550 23.792 9.037 1.00 6.21 H new ATOM 0 HG3 GLN B 97 3.979 24.437 9.819 1.00 6.21 H new ATOM 0 HE21 GLN B 97 5.329 25.935 8.708 1.00 7.59 H new ATOM 0 HE22 GLN B 97 4.742 26.809 7.289 1.00 7.59 H new ATOM 3815 N PRO B 98 5.660 21.491 5.561 1.00 5.81 N ATOM 3816 CA PRO B 98 6.615 20.553 4.958 1.00 6.41 C ATOM 3817 C PRO B 98 7.617 19.984 5.957 1.00 6.44 C ATOM 3818 O PRO B 98 8.336 20.727 6.632 1.00 6.84 O ATOM 3819 CB PRO B 98 7.332 21.403 3.909 1.00 7.08 C ATOM 3820 CG PRO B 98 6.363 22.479 3.567 1.00 6.87 C ATOM 3821 CD PRO B 98 5.626 22.778 4.840 1.00 6.10 C ATOM 0 HA PRO B 98 6.108 19.677 4.553 1.00 6.41 H new ATOM 0 HB2 PRO B 98 8.261 21.817 4.302 1.00 7.08 H new ATOM 0 HB3 PRO B 98 7.593 20.812 3.031 1.00 7.08 H new ATOM 0 HG2 PRO B 98 6.877 23.365 3.194 1.00 6.87 H new ATOM 0 HG3 PRO B 98 5.677 22.155 2.784 1.00 6.87 H new ATOM 0 HD2 PRO B 98 6.111 23.571 5.409 1.00 6.10 H new ATOM 0 HD3 PRO B 98 4.604 23.104 4.646 1.00 6.10 H new ATOM 3829 N ARG B 99 7.649 18.661 6.055 1.00 6.34 N ATOM 3830 CA ARG B 99 8.598 17.979 6.919 1.00 6.64 C ATOM 3831 C ARG B 99 9.800 17.523 6.108 1.00 6.40 C ATOM 3832 O ARG B 99 10.925 17.961 6.343 1.00 6.77 O ATOM 3833 CB ARG B 99 7.931 16.783 7.606 1.00 6.94 C ATOM 3834 CG ARG B 99 6.818 17.181 8.562 1.00 7.54 C ATOM 3835 CD ARG B 99 7.349 18.064 9.675 1.00 7.94 C ATOM 3836 NE ARG B 99 6.303 18.490 10.601 1.00 8.46 N ATOM 3837 CZ ARG B 99 6.512 18.731 11.891 1.00 8.94 C ATOM 3838 NH1 ARG B 99 7.715 18.528 12.420 1.00 8.99 N ATOM 3839 NH2 ARG B 99 5.517 19.167 12.655 1.00 9.56 N ATOM 0 H ARG B 99 7.024 18.038 5.543 1.00 6.34 H new ATOM 0 HA ARG B 99 8.935 18.672 7.690 1.00 6.64 H new ATOM 0 HB2 ARG B 99 7.526 16.116 6.845 1.00 6.94 H new ATOM 0 HB3 ARG B 99 8.687 16.220 8.154 1.00 6.94 H new ATOM 0 HG2 ARG B 99 6.036 17.708 8.016 1.00 7.54 H new ATOM 0 HG3 ARG B 99 6.362 16.287 8.988 1.00 7.54 H new ATOM 0 HD2 ARG B 99 8.119 17.524 10.226 1.00 7.94 H new ATOM 0 HD3 ARG B 99 7.825 18.943 9.241 1.00 7.94 H new ATOM 0 HE ARG B 99 5.358 18.609 10.237 1.00 8.46 H new ATOM 0 HH11 ARG B 99 8.478 18.187 11.835 1.00 8.99 H new ATOM 0 HH12 ARG B 99 7.875 18.713 13.410 1.00 8.99 H new ATOM 0 HH21 ARG B 99 4.592 19.317 12.252 1.00 9.56 H new ATOM 0 HH22 ARG B 99 5.678 19.352 13.645 1.00 9.56 H new ATOM 3853 N LYS B 100 9.555 16.651 5.144 1.00 6.04 N ATOM 3854 CA LYS B 100 10.598 16.200 4.237 1.00 5.97 C ATOM 3855 C LYS B 100 10.354 16.752 2.840 1.00 5.32 C ATOM 3856 O LYS B 100 11.058 16.409 1.888 1.00 5.54 O ATOM 3857 CB LYS B 100 10.656 14.673 4.204 1.00 6.71 C ATOM 3858 CG LYS B 100 11.189 14.055 5.487 1.00 7.02 C ATOM 3859 CD LYS B 100 12.625 14.480 5.752 1.00 7.50 C ATOM 3860 CE LYS B 100 13.202 13.797 6.982 1.00 8.06 C ATOM 3861 NZ LYS B 100 12.488 14.176 8.229 1.00 8.50 N ATOM 0 H LYS B 100 8.638 16.239 4.969 1.00 6.04 H new ATOM 0 HA LYS B 100 11.557 16.572 4.598 1.00 5.97 H new ATOM 0 HB2 LYS B 100 9.656 14.284 4.012 1.00 6.71 H new ATOM 0 HB3 LYS B 100 11.286 14.360 3.371 1.00 6.71 H new ATOM 0 HG2 LYS B 100 10.559 14.353 6.325 1.00 7.02 H new ATOM 0 HG3 LYS B 100 11.136 12.968 5.419 1.00 7.02 H new ATOM 0 HD2 LYS B 100 13.240 14.243 4.884 1.00 7.50 H new ATOM 0 HD3 LYS B 100 12.665 15.561 5.885 1.00 7.50 H new ATOM 0 HE2 LYS B 100 13.150 12.716 6.852 1.00 8.06 H new ATOM 0 HE3 LYS B 100 14.256 14.057 7.077 1.00 8.06 H new ATOM 0 HZ1 LYS B 100 12.989 13.781 9.050 1.00 8.50 H new ATOM 0 HZ2 LYS B 100 12.456 15.212 8.309 1.00 8.50 H new ATOM 0 HZ3 LYS B 100 11.519 13.801 8.202 1.00 8.50 H new ATOM 3875 N LYS B 101 9.351 17.612 2.735 1.00 4.83 N ATOM 3876 CA LYS B 101 9.015 18.268 1.481 1.00 4.42 C ATOM 3877 C LYS B 101 9.907 19.489 1.294 1.00 4.87 C ATOM 3878 O LYS B 101 9.671 20.505 1.972 1.00 5.44 O ATOM 3879 CB LYS B 101 7.530 18.668 1.487 1.00 3.91 C ATOM 3880 CG LYS B 101 6.959 19.056 0.126 1.00 3.27 C ATOM 3881 CD LYS B 101 7.334 20.469 -0.294 1.00 3.64 C ATOM 3882 CE LYS B 101 6.630 20.863 -1.584 1.00 4.21 C ATOM 3883 NZ LYS B 101 6.961 22.250 -2.007 1.00 4.79 N ATOM 3884 OXT LYS B 101 10.846 19.426 0.476 1.00 5.06 O ATOM 0 H LYS B 101 8.749 17.874 3.515 1.00 4.83 H new ATOM 0 HA LYS B 101 9.182 17.584 0.649 1.00 4.42 H new ATOM 0 HB2 LYS B 101 6.947 17.837 1.885 1.00 3.91 H new ATOM 0 HB3 LYS B 101 7.398 19.506 2.171 1.00 3.91 H new ATOM 0 HG2 LYS B 101 7.316 18.352 -0.626 1.00 3.27 H new ATOM 0 HG3 LYS B 101 5.873 18.967 0.155 1.00 3.27 H new ATOM 0 HD2 LYS B 101 7.068 21.170 0.498 1.00 3.64 H new ATOM 0 HD3 LYS B 101 8.413 20.537 -0.430 1.00 3.64 H new ATOM 0 HE2 LYS B 101 6.910 20.168 -2.375 1.00 4.21 H new ATOM 0 HE3 LYS B 101 5.552 20.774 -1.449 1.00 4.21 H new ATOM 0 HZ1 LYS B 101 6.458 22.473 -2.890 1.00 4.79 H new ATOM 0 HZ2 LYS B 101 6.670 22.918 -1.265 1.00 4.79 H new ATOM 0 HZ3 LYS B 101 7.986 22.330 -2.163 1.00 4.79 H new TER 3898 LYS B 101