USER MOD reduce.3.24.130724 H: found=0, std=0, add=1484, rem=0, adj=57 USER MOD reduce.3.24.130724 removed 1486 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 87 ASN : amide:sc= -9.38! C(o=-9.9!,f=-21!) USER MOD Set 1.2: B 96 LYS NZ :NH3+ 135:sc= -0.533! (180deg=-4.37!) USER MOD Set 2.1: B 80 SER OG : rot 180:sc= -0.0714 USER MOD Set 2.2: B 84 MET CE :methyl 177:sc= -1.26 (180deg=-1.42) USER MOD Set 3.1: B 31 LYS NZ :NH3+ -178:sc= 1.2 (180deg=0) USER MOD Set 3.2: B 56 GLN : amide:sc= 1.54 K(o=0.78,f=-4.2) USER MOD Set 3.3: B 59 MET CE :methyl -165:sc= -1.96! (180deg=-1.9!) USER MOD Set 4.1: B 30 ASN : amide:sc= -1.37! C(o=-0.96!,f=-0.97!) USER MOD Set 4.2: B 32 SER OG : rot 97:sc= 0.411 USER MOD Set 5.1: B 15 THR OG1 : rot -166:sc= -0.905 USER MOD Set 5.2: B 18 LYS NZ :NH3+ -143:sc= 1.14 (180deg=0.727) USER MOD Set 6.1: A 87 ASN : amide:sc= -9.6! C(o=-10!,f=-21!) USER MOD Set 6.2: A 96 LYS NZ :NH3+ 138:sc= -0.384! (180deg=-4.56!) USER MOD Set 7.1: A 80 SER OG : rot 180:sc= -0.0676 USER MOD Set 7.2: A 84 MET CE :methyl 180:sc= -1.3 (180deg=-1.3) USER MOD Set 8.1: A 31 LYS NZ :NH3+ -169:sc= 1.22 (180deg=0) USER MOD Set 8.2: A 56 GLN : amide:sc= 1.54 K(o=0.71,f=-4.4) USER MOD Set 8.3: A 59 MET CE :methyl -165:sc= -2.05! (180deg=-1.91!) USER MOD Set 9.1: A 30 ASN : amide:sc= -1.3! C(o=-0.81!,f=-1!) USER MOD Set 9.2: A 32 SER OG : rot 97:sc= 0.486 USER MOD Set10.1: A 15 THR OG1 : rot -164:sc= -0.933 USER MOD Set10.2: A 18 LYS NZ :NH3+ -163:sc= 1.17 (180deg=0.783) USER MOD Single : A 3 SER OG : rot 30:sc= 0.796 USER MOD Single : A 7 LYS NZ :NH3+ 151:sc= -2.29! (180deg=-3.28!) USER MOD Single : A 12 MET CE :methyl -123:sc= -0.195 (180deg=-0.823) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 17 HIS : no HD1:sc= -4.01! C(o=-4!,f=-4.2!) USER MOD Single : A 19 TYR OH : rot 180:sc= -1.65! USER MOD Single : A 20 SER OG : rot 77:sc= 0.784 USER MOD Single : A 22 LYS NZ :NH3+ -117:sc= 1.82 (180deg=-2.16) USER MOD Single : A 26 LYS NZ :NH3+ 165:sc= -0.0882 (180deg=-0.527) USER MOD Single : A 28 LYS NZ :NH3+ -159:sc= 1.19 (180deg=0.77) USER MOD Single : A 35 LYS NZ :NH3+ -147:sc= -0.0116 (180deg=-1.13) USER MOD Single : A 39 THR OG1 : rot -20:sc= 0.44 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 159:sc= -0.0867 (180deg=-0.531) USER MOD Single : A 60 SER OG : rot 180:sc= -0.135 USER MOD Single : A 61 ASN : amide:sc= -0.456 K(o=-0.46,f=-1.2) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 ASN : amide:sc= -1.38 K(o=-1.4,f=-5.7!) USER MOD Single : A 68 ASN : amide:sc= -3.96! K(o=-4!,f=-1.4) USER MOD Single : A 73 GLN : amide:sc= -1.96! K(o=-2!,f=-0.5) USER MOD Single : A 75 TYR OH : rot 0:sc= -1.33 USER MOD Single : A 76 SER OG : rot 62:sc= 1.1 USER MOD Single : A 81 SER OG : rot -8:sc= 1.2 USER MOD Single : A 85 MET CE :methyl -177:sc= -0.571 (180deg=-0.598) USER MOD Single : A 86 SER OG : rot -75:sc= 1.11 USER MOD Single : B 3 SER OG : rot 24:sc= 0.816 USER MOD Single : B 7 LYS NZ :NH3+ 152:sc= -2.05! (180deg=-3.03!) USER MOD Single : B 12 MET CE :methyl -123:sc= -0.162 (180deg=-0.788) USER MOD Single : B 14 SER OG : rot 180:sc= 0 USER MOD Single : B 17 HIS : no HD1:sc= -3.83! C(o=-3.8!,f=-4.3!) USER MOD Single : B 19 TYR OH : rot 180:sc= -1.59! USER MOD Single : B 20 SER OG : rot 72:sc= 0.693 USER MOD Single : B 22 LYS NZ :NH3+ -114:sc= 1.97 (180deg=-2.33) USER MOD Single : B 26 LYS NZ :NH3+ 161:sc= -0.123 (180deg=-0.49) USER MOD Single : B 28 LYS NZ :NH3+ -155:sc= 1.14 (180deg=0.709) USER MOD Single : B 35 LYS NZ :NH3+ -147:sc= -0.0109 (180deg=-1.13) USER MOD Single : B 39 THR OG1 : rot -17:sc= 0.46 USER MOD Single : B 44 SER OG : rot 180:sc= 0 USER MOD Single : B 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 50 THR OG1 : rot 180:sc= 0 USER MOD Single : B 57 LYS NZ :NH3+ 158:sc= -0.1 (180deg=-0.559) USER MOD Single : B 60 SER OG : rot 180:sc= -0.127 USER MOD Single : B 61 ASN : amide:sc= -0.466 K(o=-0.47,f=-1.2) USER MOD Single : B 64 SER OG : rot 180:sc= 0 USER MOD Single : B 65 ASN : amide:sc= -1.35 K(o=-1.3,f=-5.9!) USER MOD Single : B 68 ASN : amide:sc= -4.01! K(o=-4!,f=-1.5) USER MOD Single : B 73 GLN : amide:sc= -1.94! K(o=-1.9!,f=-0.53) USER MOD Single : B 75 TYR OH : rot 1:sc= -1.34 USER MOD Single : B 76 SER OG : rot 63:sc= 1.19 USER MOD Single : B 81 SER OG : rot -25:sc= 1.17 USER MOD Single : B 85 MET CE :methyl -176:sc= -0.504 (180deg=-0.563) USER MOD Single : B 86 SER OG : rot -77:sc= 1.2 USER MOD ----------------------------------------------------------------- ATOM 30 N SER A 3 -8.110 2.959 13.693 1.00 0.79 N ATOM 31 CA SER A 3 -7.498 4.050 14.437 1.00 0.78 C ATOM 32 C SER A 3 -6.088 4.384 13.865 1.00 0.65 C ATOM 33 O SER A 3 -5.823 4.072 12.711 1.00 0.83 O ATOM 34 CB SER A 3 -7.453 3.595 15.899 1.00 0.97 C ATOM 35 OG SER A 3 -8.541 2.730 16.185 1.00 1.18 O ATOM 0 HA SER A 3 -8.069 4.975 14.352 1.00 0.78 H new ATOM 0 HB2 SER A 3 -6.512 3.083 16.098 1.00 0.97 H new ATOM 0 HB3 SER A 3 -7.488 4.463 16.557 1.00 0.97 H new ATOM 0 HG SER A 3 -8.793 2.242 15.373 1.00 1.18 H new ATOM 41 N PRO A 4 -5.196 5.108 14.586 1.00 0.67 N ATOM 42 CA PRO A 4 -3.813 5.379 14.142 1.00 0.62 C ATOM 43 C PRO A 4 -3.117 4.308 13.258 1.00 0.46 C ATOM 44 O PRO A 4 -2.093 4.612 12.678 1.00 0.50 O ATOM 45 CB PRO A 4 -3.088 5.525 15.467 1.00 0.79 C ATOM 46 CG PRO A 4 -4.066 6.240 16.328 1.00 0.96 C ATOM 47 CD PRO A 4 -5.437 5.786 15.884 1.00 0.87 C ATOM 0 HA PRO A 4 -3.802 6.239 13.472 1.00 0.62 H new ATOM 0 HB2 PRO A 4 -2.820 4.555 15.886 1.00 0.79 H new ATOM 0 HB3 PRO A 4 -2.163 6.091 15.357 1.00 0.79 H new ATOM 0 HG2 PRO A 4 -3.901 6.006 17.380 1.00 0.96 H new ATOM 0 HG3 PRO A 4 -3.961 7.320 16.221 1.00 0.96 H new ATOM 0 HD2 PRO A 4 -5.886 5.108 16.610 1.00 0.87 H new ATOM 0 HD3 PRO A 4 -6.118 6.629 15.772 1.00 0.87 H new ATOM 55 N LEU A 5 -3.637 3.074 13.164 1.00 0.36 N ATOM 56 CA LEU A 5 -3.017 2.036 12.327 1.00 0.32 C ATOM 57 C LEU A 5 -2.937 2.451 10.872 1.00 0.30 C ATOM 58 O LEU A 5 -1.894 2.314 10.244 1.00 0.32 O ATOM 59 CB LEU A 5 -3.778 0.713 12.402 1.00 0.31 C ATOM 60 CG LEU A 5 -3.435 -0.298 11.295 1.00 0.30 C ATOM 61 CD1 LEU A 5 -3.241 -1.677 11.895 1.00 0.40 C ATOM 62 CD2 LEU A 5 -4.524 -0.355 10.234 1.00 0.27 C ATOM 0 H LEU A 5 -4.479 2.772 13.654 1.00 0.36 H new ATOM 0 HA LEU A 5 -2.011 1.904 12.724 1.00 0.32 H new ATOM 0 HB2 LEU A 5 -3.579 0.251 13.369 1.00 0.31 H new ATOM 0 HB3 LEU A 5 -4.847 0.923 12.363 1.00 0.31 H new ATOM 0 HG LEU A 5 -2.512 0.032 10.819 1.00 0.30 H new ATOM 0 HD11 LEU A 5 -2.998 -2.387 11.104 1.00 0.40 H new ATOM 0 HD12 LEU A 5 -2.426 -1.648 12.619 1.00 0.40 H new ATOM 0 HD13 LEU A 5 -4.159 -1.989 12.394 1.00 0.40 H new ATOM 0 HD21 LEU A 5 -4.248 -1.080 9.468 1.00 0.27 H new ATOM 0 HD22 LEU A 5 -5.465 -0.655 10.695 1.00 0.27 H new ATOM 0 HD23 LEU A 5 -4.640 0.628 9.778 1.00 0.27 H new ATOM 74 N GLU A 6 -4.034 2.940 10.326 1.00 0.34 N ATOM 75 CA GLU A 6 -4.039 3.320 8.931 1.00 0.42 C ATOM 76 C GLU A 6 -3.113 4.531 8.737 1.00 0.33 C ATOM 77 O GLU A 6 -2.351 4.652 7.766 1.00 0.31 O ATOM 78 CB GLU A 6 -5.452 3.620 8.463 1.00 0.62 C ATOM 79 CG GLU A 6 -5.886 2.810 7.243 1.00 1.80 C ATOM 80 CD GLU A 6 -5.849 1.308 7.469 1.00 2.84 C ATOM 81 OE1 GLU A 6 -4.755 0.724 7.395 1.00 3.32 O ATOM 82 OE2 GLU A 6 -6.918 0.708 7.709 1.00 3.61 O ATOM 0 H GLU A 6 -4.916 3.081 10.818 1.00 0.34 H new ATOM 0 HA GLU A 6 -3.668 2.494 8.325 1.00 0.42 H new ATOM 0 HB2 GLU A 6 -6.144 3.424 9.282 1.00 0.62 H new ATOM 0 HB3 GLU A 6 -5.528 4.682 8.228 1.00 0.62 H new ATOM 0 HG2 GLU A 6 -6.898 3.103 6.964 1.00 1.80 H new ATOM 0 HG3 GLU A 6 -5.239 3.059 6.402 1.00 1.80 H new ATOM 89 N LYS A 7 -3.147 5.415 9.717 1.00 0.35 N ATOM 90 CA LYS A 7 -2.223 6.532 9.765 1.00 0.36 C ATOM 91 C LYS A 7 -0.804 6.020 10.025 1.00 0.32 C ATOM 92 O LYS A 7 0.177 6.715 9.789 1.00 0.35 O ATOM 93 CB LYS A 7 -2.665 7.555 10.819 1.00 0.44 C ATOM 94 CG LYS A 7 -4.083 8.088 10.607 1.00 0.63 C ATOM 95 CD LYS A 7 -4.170 9.158 9.511 1.00 0.79 C ATOM 96 CE LYS A 7 -3.868 8.611 8.124 1.00 1.78 C ATOM 97 NZ LYS A 7 -2.465 8.891 7.713 1.00 2.82 N ATOM 0 H LYS A 7 -3.808 5.380 10.493 1.00 0.35 H new ATOM 0 HA LYS A 7 -2.225 7.043 8.802 1.00 0.36 H new ATOM 0 HB2 LYS A 7 -2.603 7.096 11.806 1.00 0.44 H new ATOM 0 HB3 LYS A 7 -1.968 8.393 10.813 1.00 0.44 H new ATOM 0 HG2 LYS A 7 -4.741 7.258 10.349 1.00 0.63 H new ATOM 0 HG3 LYS A 7 -4.451 8.506 11.544 1.00 0.63 H new ATOM 0 HD2 LYS A 7 -5.169 9.594 9.514 1.00 0.79 H new ATOM 0 HD3 LYS A 7 -3.470 9.962 9.739 1.00 0.79 H new ATOM 0 HE2 LYS A 7 -4.043 7.535 8.112 1.00 1.78 H new ATOM 0 HE3 LYS A 7 -4.554 9.054 7.401 1.00 1.78 H new ATOM 0 HZ1 LYS A 7 -2.139 8.148 7.062 1.00 2.82 H new ATOM 0 HZ2 LYS A 7 -2.421 9.814 7.235 1.00 2.82 H new ATOM 0 HZ3 LYS A 7 -1.854 8.907 8.554 1.00 2.82 H new ATOM 111 N ALA A 8 -0.711 4.801 10.535 1.00 0.29 N ATOM 112 CA ALA A 8 0.567 4.145 10.760 1.00 0.29 C ATOM 113 C ALA A 8 1.127 3.579 9.463 1.00 0.27 C ATOM 114 O ALA A 8 2.331 3.380 9.351 1.00 0.28 O ATOM 115 CB ALA A 8 0.455 3.060 11.815 1.00 0.32 C ATOM 0 H ALA A 8 -1.519 4.240 10.804 1.00 0.29 H new ATOM 0 HA ALA A 8 1.261 4.900 11.130 1.00 0.29 H new ATOM 0 HB1 ALA A 8 1.428 2.590 11.958 1.00 0.32 H new ATOM 0 HB2 ALA A 8 0.122 3.500 12.755 1.00 0.32 H new ATOM 0 HB3 ALA A 8 -0.266 2.310 11.490 1.00 0.32 H new ATOM 121 N LEU A 9 0.268 3.293 8.481 1.00 0.26 N ATOM 122 CA LEU A 9 0.783 3.024 7.133 1.00 0.26 C ATOM 123 C LEU A 9 1.457 4.293 6.634 1.00 0.26 C ATOM 124 O LEU A 9 2.432 4.267 5.894 1.00 0.26 O ATOM 125 CB LEU A 9 -0.300 2.635 6.124 1.00 0.26 C ATOM 126 CG LEU A 9 -1.592 2.074 6.690 1.00 0.25 C ATOM 127 CD1 LEU A 9 -2.604 1.909 5.574 1.00 0.33 C ATOM 128 CD2 LEU A 9 -1.367 0.753 7.410 1.00 0.27 C ATOM 0 H LEU A 9 -0.746 3.242 8.583 1.00 0.26 H new ATOM 0 HA LEU A 9 1.465 2.177 7.210 1.00 0.26 H new ATOM 0 HB2 LEU A 9 -0.543 3.516 5.530 1.00 0.26 H new ATOM 0 HB3 LEU A 9 0.121 1.897 5.441 1.00 0.26 H new ATOM 0 HG LEU A 9 -1.976 2.779 7.427 1.00 0.25 H new ATOM 0 HD11 LEU A 9 -3.532 1.506 5.981 1.00 0.33 H new ATOM 0 HD12 LEU A 9 -2.800 2.878 5.114 1.00 0.33 H new ATOM 0 HD13 LEU A 9 -2.209 1.224 4.823 1.00 0.33 H new ATOM 0 HD21 LEU A 9 -2.316 0.385 7.800 1.00 0.27 H new ATOM 0 HD22 LEU A 9 -0.954 0.024 6.712 1.00 0.27 H new ATOM 0 HD23 LEU A 9 -0.669 0.902 8.234 1.00 0.27 H new ATOM 140 N ASP A 10 0.920 5.425 7.045 1.00 0.27 N ATOM 141 CA ASP A 10 1.607 6.698 6.782 1.00 0.29 C ATOM 142 C ASP A 10 2.956 6.718 7.513 1.00 0.27 C ATOM 143 O ASP A 10 3.954 7.261 7.023 1.00 0.28 O ATOM 144 CB ASP A 10 0.752 7.895 7.199 1.00 0.33 C ATOM 145 CG ASP A 10 1.516 9.206 7.156 1.00 0.38 C ATOM 146 OD1 ASP A 10 1.770 9.721 6.049 1.00 1.18 O ATOM 147 OD2 ASP A 10 1.847 9.737 8.235 1.00 1.16 O ATOM 0 H ASP A 10 0.037 5.503 7.549 1.00 0.27 H new ATOM 0 HA ASP A 10 1.777 6.779 5.708 1.00 0.29 H new ATOM 0 HB2 ASP A 10 -0.115 7.963 6.542 1.00 0.33 H new ATOM 0 HB3 ASP A 10 0.375 7.732 8.209 1.00 0.33 H new ATOM 152 N VAL A 11 2.987 6.087 8.679 1.00 0.27 N ATOM 153 CA VAL A 11 4.224 5.906 9.419 1.00 0.27 C ATOM 154 C VAL A 11 5.150 4.928 8.684 1.00 0.27 C ATOM 155 O VAL A 11 6.359 4.951 8.874 1.00 0.29 O ATOM 156 CB VAL A 11 3.941 5.413 10.856 1.00 0.28 C ATOM 157 CG1 VAL A 11 5.226 5.088 11.592 1.00 0.31 C ATOM 158 CG2 VAL A 11 3.142 6.454 11.625 1.00 0.31 C ATOM 0 H VAL A 11 2.164 5.691 9.133 1.00 0.27 H new ATOM 0 HA VAL A 11 4.725 6.872 9.487 1.00 0.27 H new ATOM 0 HB VAL A 11 3.354 4.497 10.785 1.00 0.28 H new ATOM 0 HG11 VAL A 11 4.991 4.744 12.599 1.00 0.31 H new ATOM 0 HG12 VAL A 11 5.763 4.305 11.057 1.00 0.31 H new ATOM 0 HG13 VAL A 11 5.848 5.981 11.649 1.00 0.31 H new ATOM 0 HG21 VAL A 11 2.950 6.092 12.635 1.00 0.31 H new ATOM 0 HG22 VAL A 11 3.708 7.384 11.674 1.00 0.31 H new ATOM 0 HG23 VAL A 11 2.194 6.633 11.118 1.00 0.31 H new ATOM 168 N MET A 12 4.576 4.080 7.834 1.00 0.26 N ATOM 169 CA MET A 12 5.370 3.201 6.974 1.00 0.29 C ATOM 170 C MET A 12 6.127 4.038 5.942 1.00 0.29 C ATOM 171 O MET A 12 7.227 3.690 5.529 1.00 0.34 O ATOM 172 CB MET A 12 4.480 2.148 6.289 1.00 0.32 C ATOM 173 CG MET A 12 4.236 2.389 4.803 1.00 0.98 C ATOM 174 SD MET A 12 2.811 1.481 4.166 1.00 2.23 S ATOM 175 CE MET A 12 2.747 2.082 2.480 1.00 2.75 C ATOM 0 H MET A 12 3.567 3.982 7.721 1.00 0.26 H new ATOM 0 HA MET A 12 6.093 2.665 7.589 1.00 0.29 H new ATOM 0 HB2 MET A 12 4.939 1.167 6.413 1.00 0.32 H new ATOM 0 HB3 MET A 12 3.518 2.117 6.801 1.00 0.32 H new ATOM 0 HG2 MET A 12 4.086 3.455 4.633 1.00 0.98 H new ATOM 0 HG3 MET A 12 5.125 2.099 4.243 1.00 0.98 H new ATOM 0 HE1 MET A 12 1.768 2.522 2.287 1.00 2.75 H new ATOM 0 HE2 MET A 12 3.520 2.837 2.333 1.00 2.75 H new ATOM 0 HE3 MET A 12 2.914 1.253 1.792 1.00 2.75 H new ATOM 185 N VAL A 13 5.537 5.157 5.532 1.00 0.29 N ATOM 186 CA VAL A 13 6.267 6.126 4.714 1.00 0.31 C ATOM 187 C VAL A 13 7.485 6.620 5.500 1.00 0.27 C ATOM 188 O VAL A 13 8.601 6.754 4.966 1.00 0.27 O ATOM 189 CB VAL A 13 5.387 7.332 4.311 1.00 0.37 C ATOM 190 CG1 VAL A 13 6.157 8.288 3.409 1.00 0.41 C ATOM 191 CG2 VAL A 13 4.111 6.867 3.622 1.00 0.42 C ATOM 0 H VAL A 13 4.574 5.414 5.746 1.00 0.29 H new ATOM 0 HA VAL A 13 6.576 5.628 3.795 1.00 0.31 H new ATOM 0 HB VAL A 13 5.112 7.864 5.222 1.00 0.37 H new ATOM 0 HG11 VAL A 13 5.517 9.128 3.139 1.00 0.41 H new ATOM 0 HG12 VAL A 13 7.037 8.657 3.936 1.00 0.41 H new ATOM 0 HG13 VAL A 13 6.469 7.764 2.505 1.00 0.41 H new ATOM 0 HG21 VAL A 13 3.509 7.733 3.348 1.00 0.42 H new ATOM 0 HG22 VAL A 13 4.367 6.304 2.724 1.00 0.42 H new ATOM 0 HG23 VAL A 13 3.543 6.230 4.300 1.00 0.42 H new ATOM 201 N SER A 14 7.266 6.858 6.788 1.00 0.26 N ATOM 202 CA SER A 14 8.351 7.216 7.689 1.00 0.26 C ATOM 203 C SER A 14 9.350 6.069 7.826 1.00 0.25 C ATOM 204 O SER A 14 10.553 6.307 7.952 1.00 0.26 O ATOM 205 CB SER A 14 7.794 7.617 9.054 1.00 0.31 C ATOM 206 OG SER A 14 6.797 8.614 8.912 1.00 1.18 O ATOM 0 H SER A 14 6.348 6.809 7.230 1.00 0.26 H new ATOM 0 HA SER A 14 8.881 8.070 7.266 1.00 0.26 H new ATOM 0 HB2 SER A 14 7.374 6.743 9.552 1.00 0.31 H new ATOM 0 HB3 SER A 14 8.600 7.988 9.687 1.00 0.31 H new ATOM 0 HG SER A 14 6.450 8.858 9.795 1.00 1.18 H new ATOM 212 N THR A 15 8.844 4.837 7.789 1.00 0.28 N ATOM 213 CA THR A 15 9.684 3.648 7.731 1.00 0.32 C ATOM 214 C THR A 15 10.751 3.814 6.672 1.00 0.28 C ATOM 215 O THR A 15 11.944 3.570 6.905 1.00 0.29 O ATOM 216 CB THR A 15 8.847 2.387 7.412 1.00 0.45 C ATOM 217 OG1 THR A 15 7.989 2.052 8.510 1.00 0.59 O ATOM 218 CG2 THR A 15 9.736 1.204 7.079 1.00 0.93 C ATOM 0 H THR A 15 7.844 4.638 7.798 1.00 0.28 H new ATOM 0 HA THR A 15 10.149 3.523 8.709 1.00 0.32 H new ATOM 0 HB THR A 15 8.235 2.617 6.540 1.00 0.45 H new ATOM 0 HG1 THR A 15 7.662 1.134 8.402 1.00 0.59 H new ATOM 0 HG21 THR A 15 9.117 0.334 6.860 1.00 0.93 H new ATOM 0 HG22 THR A 15 10.348 1.442 6.209 1.00 0.93 H new ATOM 0 HG23 THR A 15 10.383 0.984 7.928 1.00 0.93 H new ATOM 226 N PHE A 16 10.323 4.282 5.519 1.00 0.27 N ATOM 227 CA PHE A 16 11.205 4.367 4.391 1.00 0.27 C ATOM 228 C PHE A 16 12.313 5.388 4.597 1.00 0.29 C ATOM 229 O PHE A 16 13.480 5.039 4.467 1.00 0.37 O ATOM 230 CB PHE A 16 10.453 4.644 3.103 1.00 0.34 C ATOM 231 CG PHE A 16 9.198 3.836 2.911 1.00 0.83 C ATOM 232 CD1 PHE A 16 9.116 2.530 3.359 1.00 1.73 C ATOM 233 CD2 PHE A 16 8.101 4.391 2.272 1.00 1.65 C ATOM 234 CE1 PHE A 16 7.963 1.794 3.177 1.00 2.34 C ATOM 235 CE2 PHE A 16 6.948 3.658 2.085 1.00 2.27 C ATOM 236 CZ PHE A 16 6.878 2.359 2.538 1.00 2.36 C ATOM 0 H PHE A 16 9.372 4.607 5.345 1.00 0.27 H new ATOM 0 HA PHE A 16 11.676 3.388 4.301 1.00 0.27 H new ATOM 0 HB2 PHE A 16 10.194 5.702 3.072 1.00 0.34 H new ATOM 0 HB3 PHE A 16 11.121 4.455 2.263 1.00 0.34 H new ATOM 0 HD1 PHE A 16 9.963 2.082 3.856 1.00 1.73 H new ATOM 0 HD2 PHE A 16 8.149 5.410 1.916 1.00 1.65 H new ATOM 0 HE1 PHE A 16 7.910 0.776 3.534 1.00 2.34 H new ATOM 0 HE2 PHE A 16 6.101 4.102 1.584 1.00 2.27 H new ATOM 0 HZ PHE A 16 5.976 1.784 2.393 1.00 2.36 H new ATOM 246 N HIS A 17 11.984 6.636 4.939 1.00 0.30 N ATOM 247 CA HIS A 17 13.047 7.646 5.092 1.00 0.40 C ATOM 248 C HIS A 17 13.954 7.315 6.269 1.00 0.36 C ATOM 249 O HIS A 17 15.098 7.761 6.328 1.00 0.42 O ATOM 250 CB HIS A 17 12.510 9.080 5.221 1.00 0.59 C ATOM 251 CG HIS A 17 11.690 9.379 6.444 1.00 0.81 C ATOM 252 ND1 HIS A 17 12.232 9.539 7.703 1.00 1.53 N ATOM 253 CD2 HIS A 17 10.361 9.596 6.582 1.00 1.78 C ATOM 254 CE1 HIS A 17 11.273 9.837 8.558 1.00 2.03 C ATOM 255 NE2 HIS A 17 10.127 9.881 7.905 1.00 2.20 N ATOM 0 H HIS A 17 11.035 6.967 5.110 1.00 0.30 H new ATOM 0 HA HIS A 17 13.628 7.608 4.170 1.00 0.40 H new ATOM 0 HB2 HIS A 17 13.358 9.765 5.202 1.00 0.59 H new ATOM 0 HB3 HIS A 17 11.904 9.298 4.342 1.00 0.59 H new ATOM 0 HD2 HIS A 17 9.621 9.553 5.797 1.00 1.78 H new ATOM 0 HE1 HIS A 17 11.404 10.015 9.615 1.00 2.03 H new ATOM 0 HE2 HIS A 17 9.217 10.092 8.315 1.00 2.20 H new ATOM 264 N LYS A 18 13.432 6.524 7.188 1.00 0.34 N ATOM 265 CA LYS A 18 14.191 6.046 8.328 1.00 0.39 C ATOM 266 C LYS A 18 15.401 5.237 7.871 1.00 0.37 C ATOM 267 O LYS A 18 16.522 5.472 8.320 1.00 0.47 O ATOM 268 CB LYS A 18 13.273 5.194 9.198 1.00 0.43 C ATOM 269 CG LYS A 18 13.954 4.463 10.343 1.00 0.55 C ATOM 270 CD LYS A 18 12.921 3.735 11.189 1.00 0.73 C ATOM 271 CE LYS A 18 12.153 2.724 10.354 1.00 0.80 C ATOM 272 NZ LYS A 18 10.985 2.158 11.069 1.00 1.28 N ATOM 0 H LYS A 18 12.467 6.194 7.165 1.00 0.34 H new ATOM 0 HA LYS A 18 14.562 6.894 8.903 1.00 0.39 H new ATOM 0 HB2 LYS A 18 12.494 5.835 9.611 1.00 0.43 H new ATOM 0 HB3 LYS A 18 12.778 4.459 8.563 1.00 0.43 H new ATOM 0 HG2 LYS A 18 14.680 3.751 9.949 1.00 0.55 H new ATOM 0 HG3 LYS A 18 14.506 5.172 10.960 1.00 0.55 H new ATOM 0 HD2 LYS A 18 13.415 3.228 12.018 1.00 0.73 H new ATOM 0 HD3 LYS A 18 12.228 4.455 11.624 1.00 0.73 H new ATOM 0 HE2 LYS A 18 11.814 3.201 9.435 1.00 0.80 H new ATOM 0 HE3 LYS A 18 12.823 1.915 10.064 1.00 0.80 H new ATOM 0 HZ1 LYS A 18 10.673 1.289 10.591 1.00 1.28 H new ATOM 0 HZ2 LYS A 18 11.252 1.937 12.050 1.00 1.28 H new ATOM 0 HZ3 LYS A 18 10.209 2.851 11.069 1.00 1.28 H new ATOM 286 N TYR A 19 15.175 4.296 6.963 1.00 0.29 N ATOM 287 CA TYR A 19 16.257 3.445 6.485 1.00 0.29 C ATOM 288 C TYR A 19 16.918 3.989 5.223 1.00 0.33 C ATOM 289 O TYR A 19 18.077 3.686 4.963 1.00 0.44 O ATOM 290 CB TYR A 19 15.768 2.012 6.285 1.00 0.31 C ATOM 291 CG TYR A 19 15.700 1.241 7.583 1.00 0.36 C ATOM 292 CD1 TYR A 19 16.855 0.743 8.165 1.00 1.23 C ATOM 293 CD2 TYR A 19 14.496 1.030 8.238 1.00 1.28 C ATOM 294 CE1 TYR A 19 16.817 0.058 9.362 1.00 1.26 C ATOM 295 CE2 TYR A 19 14.450 0.340 9.435 1.00 1.35 C ATOM 296 CZ TYR A 19 15.612 -0.141 9.993 1.00 0.62 C ATOM 297 OH TYR A 19 15.571 -0.811 11.193 1.00 0.79 O ATOM 0 H TYR A 19 14.264 4.104 6.547 1.00 0.29 H new ATOM 0 HA TYR A 19 17.027 3.442 7.257 1.00 0.29 H new ATOM 0 HB2 TYR A 19 14.781 2.029 5.823 1.00 0.31 H new ATOM 0 HB3 TYR A 19 16.435 1.496 5.594 1.00 0.31 H new ATOM 0 HD1 TYR A 19 17.804 0.894 7.672 1.00 1.23 H new ATOM 0 HD2 TYR A 19 13.582 1.410 7.807 1.00 1.28 H new ATOM 0 HE1 TYR A 19 17.729 -0.320 9.801 1.00 1.26 H new ATOM 0 HE2 TYR A 19 13.504 0.179 9.931 1.00 1.35 H new ATOM 0 HH TYR A 19 14.644 -0.866 11.506 1.00 0.79 H new ATOM 307 N SER A 20 16.202 4.795 4.448 1.00 0.29 N ATOM 308 CA SER A 20 16.795 5.418 3.266 1.00 0.32 C ATOM 309 C SER A 20 17.847 6.431 3.695 1.00 0.40 C ATOM 310 O SER A 20 18.910 6.545 3.089 1.00 0.60 O ATOM 311 CB SER A 20 15.729 6.113 2.411 1.00 0.35 C ATOM 312 OG SER A 20 14.670 5.232 2.080 1.00 0.86 O ATOM 0 H SER A 20 15.223 5.032 4.611 1.00 0.29 H new ATOM 0 HA SER A 20 17.258 4.636 2.664 1.00 0.32 H new ATOM 0 HB2 SER A 20 15.332 6.973 2.951 1.00 0.35 H new ATOM 0 HB3 SER A 20 16.186 6.493 1.497 1.00 0.35 H new ATOM 0 HG SER A 20 14.082 5.121 2.856 1.00 0.86 H new ATOM 318 N GLY A 21 17.561 7.131 4.784 1.00 0.37 N ATOM 319 CA GLY A 21 18.446 8.171 5.260 1.00 0.43 C ATOM 320 C GLY A 21 19.637 7.640 6.030 1.00 0.41 C ATOM 321 O GLY A 21 20.107 8.286 6.966 1.00 0.46 O ATOM 0 H GLY A 21 16.723 6.994 5.350 1.00 0.37 H new ATOM 0 HA2 GLY A 21 18.802 8.752 4.410 1.00 0.43 H new ATOM 0 HA3 GLY A 21 17.884 8.852 5.899 1.00 0.43 H new ATOM 325 N LYS A 22 20.125 6.464 5.662 1.00 0.40 N ATOM 326 CA LYS A 22 21.295 5.913 6.323 1.00 0.46 C ATOM 327 C LYS A 22 22.523 6.058 5.438 1.00 0.52 C ATOM 328 O LYS A 22 23.609 6.402 5.911 1.00 0.65 O ATOM 329 CB LYS A 22 21.094 4.448 6.683 1.00 0.47 C ATOM 330 CG LYS A 22 19.857 4.179 7.517 1.00 0.60 C ATOM 331 CD LYS A 22 19.847 2.767 8.098 1.00 0.56 C ATOM 332 CE LYS A 22 20.056 1.685 7.039 1.00 0.49 C ATOM 333 NZ LYS A 22 21.492 1.424 6.766 1.00 1.08 N ATOM 0 H LYS A 22 19.735 5.882 4.921 1.00 0.40 H new ATOM 0 HA LYS A 22 21.445 6.475 7.245 1.00 0.46 H new ATOM 0 HB2 LYS A 22 21.034 3.864 5.764 1.00 0.47 H new ATOM 0 HB3 LYS A 22 21.970 4.095 7.228 1.00 0.47 H new ATOM 0 HG2 LYS A 22 19.804 4.904 8.329 1.00 0.60 H new ATOM 0 HG3 LYS A 22 18.968 4.323 6.902 1.00 0.60 H new ATOM 0 HD2 LYS A 22 20.629 2.685 8.853 1.00 0.56 H new ATOM 0 HD3 LYS A 22 18.897 2.595 8.603 1.00 0.56 H new ATOM 0 HE2 LYS A 22 19.579 0.762 7.369 1.00 0.49 H new ATOM 0 HE3 LYS A 22 19.563 1.986 6.115 1.00 0.49 H new ATOM 0 HZ1 LYS A 22 21.707 1.665 5.777 1.00 1.08 H new ATOM 0 HZ2 LYS A 22 22.077 2.006 7.399 1.00 1.08 H new ATOM 0 HZ3 LYS A 22 21.699 0.418 6.930 1.00 1.08 H new ATOM 347 N GLU A 23 22.337 5.804 4.151 1.00 0.47 N ATOM 348 CA GLU A 23 23.417 5.866 3.181 1.00 0.55 C ATOM 349 C GLU A 23 22.807 5.928 1.783 1.00 0.58 C ATOM 350 O GLU A 23 21.651 5.546 1.595 1.00 0.64 O ATOM 351 CB GLU A 23 24.317 4.634 3.328 1.00 0.67 C ATOM 352 CG GLU A 23 25.802 4.894 3.095 1.00 1.15 C ATOM 353 CD GLU A 23 26.132 5.297 1.673 1.00 1.59 C ATOM 354 OE1 GLU A 23 26.304 4.400 0.820 1.00 1.96 O ATOM 355 OE2 GLU A 23 26.217 6.512 1.397 1.00 2.38 O ATOM 0 H GLU A 23 21.434 5.550 3.751 1.00 0.47 H new ATOM 0 HA GLU A 23 24.028 6.753 3.349 1.00 0.55 H new ATOM 0 HB2 GLU A 23 24.187 4.224 4.330 1.00 0.67 H new ATOM 0 HB3 GLU A 23 23.982 3.871 2.626 1.00 0.67 H new ATOM 0 HG2 GLU A 23 26.135 5.680 3.773 1.00 1.15 H new ATOM 0 HG3 GLU A 23 26.364 3.995 3.348 1.00 1.15 H new ATOM 362 N GLY A 24 23.565 6.421 0.820 1.00 0.72 N ATOM 363 CA GLY A 24 23.060 6.551 -0.528 1.00 0.85 C ATOM 364 C GLY A 24 22.264 7.819 -0.699 1.00 0.79 C ATOM 365 O GLY A 24 22.830 8.905 -0.822 1.00 0.92 O ATOM 0 H GLY A 24 24.527 6.735 0.948 1.00 0.72 H new ATOM 0 HA2 GLY A 24 23.892 6.545 -1.232 1.00 0.85 H new ATOM 0 HA3 GLY A 24 22.434 5.692 -0.768 1.00 0.85 H new ATOM 369 N ASP A 25 20.951 7.689 -0.679 1.00 0.71 N ATOM 370 CA ASP A 25 20.071 8.837 -0.779 1.00 0.70 C ATOM 371 C ASP A 25 18.965 8.739 0.251 1.00 0.73 C ATOM 372 O ASP A 25 18.489 7.656 0.563 1.00 1.34 O ATOM 373 CB ASP A 25 19.481 8.960 -2.185 1.00 0.73 C ATOM 374 CG ASP A 25 20.397 9.721 -3.122 1.00 1.04 C ATOM 375 OD1 ASP A 25 20.463 10.960 -3.006 1.00 1.65 O ATOM 376 OD2 ASP A 25 21.056 9.088 -3.972 1.00 1.75 O ATOM 0 H ASP A 25 20.469 6.794 -0.594 1.00 0.71 H new ATOM 0 HA ASP A 25 20.659 9.734 -0.583 1.00 0.70 H new ATOM 0 HB2 ASP A 25 19.296 7.965 -2.589 1.00 0.73 H new ATOM 0 HB3 ASP A 25 18.517 9.466 -2.130 1.00 0.73 H new ATOM 381 N LYS A 26 18.551 9.887 0.756 1.00 0.61 N ATOM 382 CA LYS A 26 17.593 9.969 1.850 1.00 0.56 C ATOM 383 C LYS A 26 16.213 9.545 1.375 1.00 0.49 C ATOM 384 O LYS A 26 15.305 9.286 2.168 1.00 0.55 O ATOM 385 CB LYS A 26 17.559 11.407 2.381 1.00 0.71 C ATOM 386 CG LYS A 26 16.415 11.694 3.338 1.00 1.03 C ATOM 387 CD LYS A 26 16.617 11.043 4.698 1.00 0.70 C ATOM 388 CE LYS A 26 17.732 11.712 5.484 1.00 0.94 C ATOM 389 NZ LYS A 26 17.488 13.167 5.680 1.00 1.56 N ATOM 0 H LYS A 26 18.870 10.795 0.419 1.00 0.61 H new ATOM 0 HA LYS A 26 17.897 9.296 2.651 1.00 0.56 H new ATOM 0 HB2 LYS A 26 18.501 11.617 2.887 1.00 0.71 H new ATOM 0 HB3 LYS A 26 17.491 12.092 1.536 1.00 0.71 H new ATOM 0 HG2 LYS A 26 16.314 12.772 3.466 1.00 1.03 H new ATOM 0 HG3 LYS A 26 15.482 11.336 2.902 1.00 1.03 H new ATOM 0 HD2 LYS A 26 15.689 11.095 5.267 1.00 0.70 H new ATOM 0 HD3 LYS A 26 16.850 9.987 4.564 1.00 0.70 H new ATOM 0 HE2 LYS A 26 17.830 11.228 6.456 1.00 0.94 H new ATOM 0 HE3 LYS A 26 18.678 11.571 4.961 1.00 0.94 H new ATOM 0 HZ1 LYS A 26 18.122 13.529 6.420 1.00 1.56 H new ATOM 0 HZ2 LYS A 26 17.671 13.673 4.790 1.00 1.56 H new ATOM 0 HZ3 LYS A 26 16.500 13.318 5.967 1.00 1.56 H new ATOM 403 N PHE A 27 16.080 9.448 0.073 1.00 0.45 N ATOM 404 CA PHE A 27 14.815 9.141 -0.538 1.00 0.44 C ATOM 405 C PHE A 27 14.911 7.867 -1.355 1.00 0.40 C ATOM 406 O PHE A 27 13.998 7.543 -2.114 1.00 0.40 O ATOM 407 CB PHE A 27 14.336 10.318 -1.401 1.00 0.50 C ATOM 408 CG PHE A 27 15.412 10.940 -2.251 1.00 0.78 C ATOM 409 CD1 PHE A 27 15.768 10.384 -3.467 1.00 1.76 C ATOM 410 CD2 PHE A 27 16.060 12.091 -1.832 1.00 1.28 C ATOM 411 CE1 PHE A 27 16.750 10.961 -4.250 1.00 2.09 C ATOM 412 CE2 PHE A 27 17.043 12.672 -2.609 1.00 1.59 C ATOM 413 CZ PHE A 27 17.389 12.105 -3.819 1.00 1.65 C ATOM 0 H PHE A 27 16.845 9.580 -0.588 1.00 0.45 H new ATOM 0 HA PHE A 27 14.079 8.978 0.250 1.00 0.44 H new ATOM 0 HB2 PHE A 27 13.530 9.974 -2.049 1.00 0.50 H new ATOM 0 HB3 PHE A 27 13.916 11.084 -0.749 1.00 0.50 H new ATOM 0 HD1 PHE A 27 15.272 9.488 -3.809 1.00 1.76 H new ATOM 0 HD2 PHE A 27 15.793 12.539 -0.886 1.00 1.28 H new ATOM 0 HE1 PHE A 27 17.017 10.517 -5.198 1.00 2.09 H new ATOM 0 HE2 PHE A 27 17.540 13.569 -2.270 1.00 1.59 H new ATOM 0 HZ PHE A 27 18.159 12.556 -4.427 1.00 1.65 H new ATOM 423 N LYS A 28 16.015 7.144 -1.196 1.00 0.39 N ATOM 424 CA LYS A 28 16.170 5.869 -1.879 1.00 0.36 C ATOM 425 C LYS A 28 16.840 4.832 -0.999 1.00 0.34 C ATOM 426 O LYS A 28 17.741 5.135 -0.220 1.00 0.38 O ATOM 427 CB LYS A 28 16.972 5.973 -3.174 1.00 0.40 C ATOM 428 CG LYS A 28 16.472 6.985 -4.185 1.00 0.49 C ATOM 429 CD LYS A 28 17.062 6.687 -5.552 1.00 0.56 C ATOM 430 CE LYS A 28 16.858 7.831 -6.524 1.00 0.86 C ATOM 431 NZ LYS A 28 17.342 7.487 -7.888 1.00 1.70 N ATOM 0 H LYS A 28 16.804 7.415 -0.609 1.00 0.39 H new ATOM 0 HA LYS A 28 15.152 5.561 -2.118 1.00 0.36 H new ATOM 0 HB2 LYS A 28 18.003 6.221 -2.921 1.00 0.40 H new ATOM 0 HB3 LYS A 28 16.987 4.992 -3.649 1.00 0.40 H new ATOM 0 HG2 LYS A 28 15.384 6.954 -4.235 1.00 0.49 H new ATOM 0 HG3 LYS A 28 16.749 7.992 -3.872 1.00 0.49 H new ATOM 0 HD2 LYS A 28 18.128 6.485 -5.450 1.00 0.56 H new ATOM 0 HD3 LYS A 28 16.604 5.784 -5.955 1.00 0.56 H new ATOM 0 HE2 LYS A 28 15.799 8.087 -6.567 1.00 0.86 H new ATOM 0 HE3 LYS A 28 17.385 8.714 -6.163 1.00 0.86 H new ATOM 0 HZ1 LYS A 28 17.522 8.360 -8.423 1.00 1.70 H new ATOM 0 HZ2 LYS A 28 18.222 6.938 -7.816 1.00 1.70 H new ATOM 0 HZ3 LYS A 28 16.621 6.922 -8.380 1.00 1.70 H new ATOM 445 N LEU A 29 16.396 3.603 -1.151 1.00 0.31 N ATOM 446 CA LEU A 29 17.004 2.477 -0.482 1.00 0.28 C ATOM 447 C LEU A 29 17.827 1.669 -1.462 1.00 0.31 C ATOM 448 O LEU A 29 17.294 0.905 -2.264 1.00 0.33 O ATOM 449 CB LEU A 29 15.927 1.571 0.098 1.00 0.26 C ATOM 450 CG LEU A 29 15.012 2.212 1.124 1.00 0.26 C ATOM 451 CD1 LEU A 29 13.691 1.477 1.155 1.00 0.28 C ATOM 452 CD2 LEU A 29 15.661 2.186 2.494 1.00 0.25 C ATOM 0 H LEU A 29 15.602 3.358 -1.743 1.00 0.31 H new ATOM 0 HA LEU A 29 17.643 2.858 0.315 1.00 0.28 H new ATOM 0 HB2 LEU A 29 15.316 1.193 -0.721 1.00 0.26 H new ATOM 0 HB3 LEU A 29 16.411 0.710 0.558 1.00 0.26 H new ATOM 0 HG LEU A 29 14.835 3.251 0.846 1.00 0.26 H new ATOM 0 HD11 LEU A 29 13.035 1.939 1.893 1.00 0.28 H new ATOM 0 HD12 LEU A 29 13.224 1.527 0.172 1.00 0.28 H new ATOM 0 HD13 LEU A 29 13.861 0.434 1.423 1.00 0.28 H new ATOM 0 HD21 LEU A 29 14.994 2.649 3.221 1.00 0.25 H new ATOM 0 HD22 LEU A 29 15.855 1.154 2.785 1.00 0.25 H new ATOM 0 HD23 LEU A 29 16.601 2.737 2.462 1.00 0.25 H new ATOM 464 N ASN A 30 19.123 1.804 -1.359 1.00 0.32 N ATOM 465 CA ASN A 30 20.039 0.957 -2.094 1.00 0.36 C ATOM 466 C ASN A 30 20.034 -0.397 -1.415 1.00 0.33 C ATOM 467 O ASN A 30 19.440 -0.518 -0.349 1.00 0.30 O ATOM 468 CB ASN A 30 21.425 1.589 -2.074 1.00 0.42 C ATOM 469 CG ASN A 30 21.870 1.864 -0.662 1.00 0.44 C ATOM 470 OD1 ASN A 30 22.608 1.072 -0.082 1.00 0.56 O ATOM 471 ND2 ASN A 30 21.387 2.966 -0.082 1.00 0.43 N ATOM 0 H ASN A 30 19.577 2.500 -0.767 1.00 0.32 H new ATOM 0 HA ASN A 30 19.744 0.843 -3.137 1.00 0.36 H new ATOM 0 HB2 ASN A 30 22.139 0.925 -2.562 1.00 0.42 H new ATOM 0 HB3 ASN A 30 21.414 2.518 -2.643 1.00 0.42 H new ATOM 0 HD21 ASN A 30 21.628 3.181 0.886 1.00 0.43 H new ATOM 0 HD22 ASN A 30 20.777 3.593 -0.607 1.00 0.43 H new ATOM 478 N LYS A 31 20.673 -1.406 -2.000 1.00 0.35 N ATOM 479 CA LYS A 31 20.585 -2.762 -1.456 1.00 0.34 C ATOM 480 C LYS A 31 20.834 -2.785 0.050 1.00 0.31 C ATOM 481 O LYS A 31 20.095 -3.425 0.779 1.00 0.31 O ATOM 482 CB LYS A 31 21.584 -3.712 -2.114 1.00 0.41 C ATOM 483 CG LYS A 31 21.139 -4.317 -3.433 1.00 0.68 C ATOM 484 CD LYS A 31 22.256 -5.173 -4.006 1.00 0.71 C ATOM 485 CE LYS A 31 21.886 -5.788 -5.341 1.00 1.15 C ATOM 486 NZ LYS A 31 23.014 -6.565 -5.920 1.00 1.99 N ATOM 0 H LYS A 31 21.249 -1.316 -2.837 1.00 0.35 H new ATOM 0 HA LYS A 31 19.570 -3.097 -1.669 1.00 0.34 H new ATOM 0 HB2 LYS A 31 22.517 -3.173 -2.278 1.00 0.41 H new ATOM 0 HB3 LYS A 31 21.801 -4.522 -1.418 1.00 0.41 H new ATOM 0 HG2 LYS A 31 20.244 -4.922 -3.283 1.00 0.68 H new ATOM 0 HG3 LYS A 31 20.876 -3.527 -4.136 1.00 0.68 H new ATOM 0 HD2 LYS A 31 23.152 -4.564 -4.126 1.00 0.71 H new ATOM 0 HD3 LYS A 31 22.501 -5.966 -3.299 1.00 0.71 H new ATOM 0 HE2 LYS A 31 21.022 -6.440 -5.214 1.00 1.15 H new ATOM 0 HE3 LYS A 31 21.592 -5.001 -6.035 1.00 1.15 H new ATOM 0 HZ1 LYS A 31 22.795 -6.813 -6.906 1.00 1.99 H new ATOM 0 HZ2 LYS A 31 23.881 -5.992 -5.892 1.00 1.99 H new ATOM 0 HZ3 LYS A 31 23.156 -7.435 -5.368 1.00 1.99 H new ATOM 500 N SER A 32 21.869 -2.081 0.496 1.00 0.34 N ATOM 501 CA SER A 32 22.217 -2.013 1.917 1.00 0.37 C ATOM 502 C SER A 32 21.002 -1.659 2.756 1.00 0.34 C ATOM 503 O SER A 32 20.536 -2.432 3.598 1.00 0.38 O ATOM 504 CB SER A 32 23.252 -0.917 2.121 1.00 0.45 C ATOM 505 OG SER A 32 24.245 -0.965 1.107 1.00 1.33 O ATOM 0 H SER A 32 22.489 -1.544 -0.110 1.00 0.34 H new ATOM 0 HA SER A 32 22.601 -2.987 2.221 1.00 0.37 H new ATOM 0 HB2 SER A 32 22.763 0.057 2.111 1.00 0.45 H new ATOM 0 HB3 SER A 32 23.719 -1.030 3.099 1.00 0.45 H new ATOM 0 HG SER A 32 24.025 -0.320 0.402 1.00 1.33 H new ATOM 511 N GLU A 33 20.500 -0.482 2.471 1.00 0.32 N ATOM 512 CA GLU A 33 19.410 0.118 3.200 1.00 0.35 C ATOM 513 C GLU A 33 18.117 -0.662 2.976 1.00 0.30 C ATOM 514 O GLU A 33 17.334 -0.878 3.905 1.00 0.32 O ATOM 515 CB GLU A 33 19.281 1.557 2.716 1.00 0.45 C ATOM 516 CG GLU A 33 20.296 2.523 3.318 1.00 0.59 C ATOM 517 CD GLU A 33 21.731 2.045 3.295 1.00 1.50 C ATOM 518 OE1 GLU A 33 22.440 2.326 2.318 1.00 2.15 O ATOM 519 OE2 GLU A 33 22.166 1.418 4.277 1.00 2.32 O ATOM 0 H GLU A 33 20.847 0.099 1.707 1.00 0.32 H new ATOM 0 HA GLU A 33 19.604 0.099 4.272 1.00 0.35 H new ATOM 0 HB2 GLU A 33 19.384 1.572 1.631 1.00 0.45 H new ATOM 0 HB3 GLU A 33 18.278 1.915 2.946 1.00 0.45 H new ATOM 0 HG2 GLU A 33 20.236 3.469 2.781 1.00 0.59 H new ATOM 0 HG3 GLU A 33 20.013 2.725 4.351 1.00 0.59 H new ATOM 526 N LEU A 34 17.922 -1.081 1.733 1.00 0.30 N ATOM 527 CA LEU A 34 16.799 -1.919 1.336 1.00 0.33 C ATOM 528 C LEU A 34 16.724 -3.172 2.203 1.00 0.29 C ATOM 529 O LEU A 34 15.708 -3.438 2.841 1.00 0.30 O ATOM 530 CB LEU A 34 16.974 -2.318 -0.133 1.00 0.50 C ATOM 531 CG LEU A 34 15.837 -3.129 -0.748 1.00 0.51 C ATOM 532 CD1 LEU A 34 14.601 -2.262 -0.893 1.00 1.01 C ATOM 533 CD2 LEU A 34 16.264 -3.702 -2.093 1.00 0.55 C ATOM 0 H LEU A 34 18.547 -0.845 0.962 1.00 0.30 H new ATOM 0 HA LEU A 34 15.873 -1.358 1.466 1.00 0.33 H new ATOM 0 HB2 LEU A 34 17.106 -1.410 -0.722 1.00 0.50 H new ATOM 0 HB3 LEU A 34 17.895 -2.894 -0.225 1.00 0.50 H new ATOM 0 HG LEU A 34 15.596 -3.962 -0.088 1.00 0.51 H new ATOM 0 HD11 LEU A 34 13.795 -2.849 -1.333 1.00 1.01 H new ATOM 0 HD12 LEU A 34 14.293 -1.900 0.088 1.00 1.01 H new ATOM 0 HD13 LEU A 34 14.826 -1.413 -1.539 1.00 1.01 H new ATOM 0 HD21 LEU A 34 15.443 -4.278 -2.520 1.00 0.55 H new ATOM 0 HD22 LEU A 34 16.526 -2.888 -2.769 1.00 0.55 H new ATOM 0 HD23 LEU A 34 17.129 -4.351 -1.954 1.00 0.55 H new ATOM 545 N LYS A 35 17.822 -3.921 2.222 1.00 0.29 N ATOM 546 CA LYS A 35 17.913 -5.173 2.968 1.00 0.29 C ATOM 547 C LYS A 35 17.499 -4.997 4.411 1.00 0.29 C ATOM 548 O LYS A 35 16.671 -5.749 4.925 1.00 0.31 O ATOM 549 CB LYS A 35 19.341 -5.712 2.919 1.00 0.32 C ATOM 550 CG LYS A 35 19.725 -6.221 1.548 1.00 0.39 C ATOM 551 CD LYS A 35 21.223 -6.442 1.386 1.00 0.52 C ATOM 552 CE LYS A 35 21.678 -7.778 1.950 1.00 0.70 C ATOM 553 NZ LYS A 35 21.819 -7.759 3.431 1.00 1.29 N ATOM 0 H LYS A 35 18.676 -3.677 1.720 1.00 0.29 H new ATOM 0 HA LYS A 35 17.230 -5.881 2.498 1.00 0.29 H new ATOM 0 HB2 LYS A 35 20.033 -4.924 3.217 1.00 0.32 H new ATOM 0 HB3 LYS A 35 19.446 -6.519 3.644 1.00 0.32 H new ATOM 0 HG2 LYS A 35 19.204 -7.159 1.357 1.00 0.39 H new ATOM 0 HG3 LYS A 35 19.386 -5.509 0.796 1.00 0.39 H new ATOM 0 HD2 LYS A 35 21.482 -6.390 0.329 1.00 0.52 H new ATOM 0 HD3 LYS A 35 21.762 -5.637 1.886 1.00 0.52 H new ATOM 0 HE2 LYS A 35 20.962 -8.550 1.667 1.00 0.70 H new ATOM 0 HE3 LYS A 35 22.634 -8.050 1.502 1.00 0.70 H new ATOM 0 HZ1 LYS A 35 22.595 -8.390 3.714 1.00 1.29 H new ATOM 0 HZ2 LYS A 35 22.027 -6.790 3.747 1.00 1.29 H new ATOM 0 HZ3 LYS A 35 20.933 -8.083 3.868 1.00 1.29 H new ATOM 567 N GLU A 36 18.067 -3.996 5.057 1.00 0.29 N ATOM 568 CA GLU A 36 17.815 -3.784 6.465 1.00 0.32 C ATOM 569 C GLU A 36 16.364 -3.427 6.705 1.00 0.31 C ATOM 570 O GLU A 36 15.748 -3.939 7.634 1.00 0.39 O ATOM 571 CB GLU A 36 18.733 -2.706 7.019 1.00 0.36 C ATOM 572 CG GLU A 36 20.190 -3.014 6.766 1.00 0.37 C ATOM 573 CD GLU A 36 21.130 -1.982 7.352 1.00 0.51 C ATOM 574 OE1 GLU A 36 21.361 -2.004 8.580 1.00 1.14 O ATOM 575 OE2 GLU A 36 21.655 -1.149 6.592 1.00 1.31 O ATOM 0 H GLU A 36 18.702 -3.322 4.630 1.00 0.29 H new ATOM 0 HA GLU A 36 18.026 -4.715 6.991 1.00 0.32 H new ATOM 0 HB2 GLU A 36 18.481 -1.748 6.564 1.00 0.36 H new ATOM 0 HB3 GLU A 36 18.566 -2.604 8.091 1.00 0.36 H new ATOM 0 HG2 GLU A 36 20.426 -3.991 7.187 1.00 0.37 H new ATOM 0 HG3 GLU A 36 20.359 -3.081 5.691 1.00 0.37 H new ATOM 582 N LEU A 37 15.818 -2.568 5.859 1.00 0.27 N ATOM 583 CA LEU A 37 14.417 -2.208 5.957 1.00 0.26 C ATOM 584 C LEU A 37 13.564 -3.465 5.793 1.00 0.27 C ATOM 585 O LEU A 37 12.720 -3.755 6.623 1.00 0.31 O ATOM 586 CB LEU A 37 14.066 -1.148 4.898 1.00 0.24 C ATOM 587 CG LEU A 37 12.791 -0.339 5.161 1.00 0.31 C ATOM 588 CD1 LEU A 37 12.796 0.932 4.341 1.00 0.29 C ATOM 589 CD2 LEU A 37 11.559 -1.150 4.819 1.00 0.50 C ATOM 0 H LEU A 37 16.323 -2.110 5.100 1.00 0.27 H new ATOM 0 HA LEU A 37 14.213 -1.774 6.936 1.00 0.26 H new ATOM 0 HB2 LEU A 37 14.903 -0.455 4.814 1.00 0.24 H new ATOM 0 HB3 LEU A 37 13.966 -1.645 3.933 1.00 0.24 H new ATOM 0 HG LEU A 37 12.767 -0.087 6.221 1.00 0.31 H new ATOM 0 HD11 LEU A 37 11.884 1.496 4.538 1.00 0.29 H new ATOM 0 HD12 LEU A 37 13.662 1.536 4.611 1.00 0.29 H new ATOM 0 HD13 LEU A 37 12.845 0.681 3.281 1.00 0.29 H new ATOM 0 HD21 LEU A 37 10.666 -0.555 5.014 1.00 0.50 H new ATOM 0 HD22 LEU A 37 11.587 -1.428 3.765 1.00 0.50 H new ATOM 0 HD23 LEU A 37 11.535 -2.051 5.431 1.00 0.50 H new ATOM 601 N LEU A 38 13.826 -4.233 4.750 1.00 0.27 N ATOM 602 CA LEU A 38 13.093 -5.472 4.520 1.00 0.29 C ATOM 603 C LEU A 38 13.110 -6.373 5.752 1.00 0.31 C ATOM 604 O LEU A 38 12.070 -6.699 6.307 1.00 0.40 O ATOM 605 CB LEU A 38 13.689 -6.230 3.340 1.00 0.32 C ATOM 606 CG LEU A 38 12.999 -6.019 1.995 1.00 0.34 C ATOM 607 CD1 LEU A 38 11.518 -6.348 2.100 1.00 0.31 C ATOM 608 CD2 LEU A 38 13.203 -4.602 1.499 1.00 0.43 C ATOM 0 H LEU A 38 14.538 -4.024 4.050 1.00 0.27 H new ATOM 0 HA LEU A 38 12.060 -5.201 4.303 1.00 0.29 H new ATOM 0 HB2 LEU A 38 14.735 -5.942 3.239 1.00 0.32 H new ATOM 0 HB3 LEU A 38 13.673 -7.295 3.572 1.00 0.32 H new ATOM 0 HG LEU A 38 13.450 -6.696 1.269 1.00 0.34 H new ATOM 0 HD11 LEU A 38 11.041 -6.192 1.132 1.00 0.31 H new ATOM 0 HD12 LEU A 38 11.397 -7.389 2.401 1.00 0.31 H new ATOM 0 HD13 LEU A 38 11.053 -5.699 2.842 1.00 0.31 H new ATOM 0 HD21 LEU A 38 12.702 -4.477 0.539 1.00 0.43 H new ATOM 0 HD22 LEU A 38 12.785 -3.900 2.221 1.00 0.43 H new ATOM 0 HD23 LEU A 38 14.269 -4.408 1.380 1.00 0.43 H new ATOM 620 N THR A 39 14.301 -6.771 6.155 1.00 0.32 N ATOM 621 CA THR A 39 14.494 -7.653 7.305 1.00 0.33 C ATOM 622 C THR A 39 13.864 -7.120 8.604 1.00 0.34 C ATOM 623 O THR A 39 13.332 -7.887 9.407 1.00 0.38 O ATOM 624 CB THR A 39 15.995 -7.880 7.546 1.00 0.33 C ATOM 625 OG1 THR A 39 16.641 -6.632 7.841 1.00 0.32 O ATOM 626 CG2 THR A 39 16.645 -8.497 6.320 1.00 0.35 C ATOM 0 H THR A 39 15.169 -6.494 5.697 1.00 0.32 H new ATOM 0 HA THR A 39 13.988 -8.586 7.056 1.00 0.33 H new ATOM 0 HB THR A 39 16.105 -8.560 8.391 1.00 0.33 H new ATOM 0 HG1 THR A 39 16.087 -5.892 7.515 1.00 0.32 H new ATOM 0 HG21 THR A 39 17.707 -8.650 6.510 1.00 0.35 H new ATOM 0 HG22 THR A 39 16.174 -9.455 6.102 1.00 0.35 H new ATOM 0 HG23 THR A 39 16.521 -7.829 5.468 1.00 0.35 H new ATOM 634 N ARG A 40 13.941 -5.815 8.806 1.00 0.34 N ATOM 635 CA ARG A 40 13.551 -5.194 10.077 1.00 0.37 C ATOM 636 C ARG A 40 12.111 -4.712 10.095 1.00 0.40 C ATOM 637 O ARG A 40 11.462 -4.745 11.141 1.00 0.47 O ATOM 638 CB ARG A 40 14.530 -4.063 10.373 1.00 0.37 C ATOM 639 CG ARG A 40 15.817 -4.567 10.996 1.00 0.63 C ATOM 640 CD ARG A 40 16.897 -3.511 10.968 1.00 0.56 C ATOM 641 NE ARG A 40 18.169 -4.009 11.484 1.00 1.16 N ATOM 642 CZ ARG A 40 19.349 -3.517 11.124 1.00 1.51 C ATOM 643 NH1 ARG A 40 19.408 -2.491 10.288 1.00 1.62 N ATOM 644 NH2 ARG A 40 20.467 -4.038 11.607 1.00 2.31 N ATOM 0 H ARG A 40 14.272 -5.154 8.104 1.00 0.34 H new ATOM 0 HA ARG A 40 13.599 -5.949 10.861 1.00 0.37 H new ATOM 0 HB2 ARG A 40 14.759 -3.532 9.449 1.00 0.37 H new ATOM 0 HB3 ARG A 40 14.060 -3.345 11.045 1.00 0.37 H new ATOM 0 HG2 ARG A 40 15.629 -4.870 12.026 1.00 0.63 H new ATOM 0 HG3 ARG A 40 16.159 -5.453 10.461 1.00 0.63 H new ATOM 0 HD2 ARG A 40 17.034 -3.161 9.945 1.00 0.56 H new ATOM 0 HD3 ARG A 40 16.578 -2.652 11.559 1.00 0.56 H new ATOM 0 HE ARG A 40 18.150 -4.775 12.157 1.00 1.16 H new ATOM 0 HH11 ARG A 40 18.549 -2.081 9.923 1.00 1.62 H new ATOM 0 HH12 ARG A 40 20.313 -2.111 10.010 1.00 1.62 H new ATOM 0 HH21 ARG A 40 20.425 -4.821 12.259 1.00 2.31 H new ATOM 0 HH22 ARG A 40 21.370 -3.656 11.327 1.00 2.31 H new ATOM 658 N GLU A 41 11.605 -4.284 8.960 1.00 0.40 N ATOM 659 CA GLU A 41 10.237 -3.815 8.885 1.00 0.46 C ATOM 660 C GLU A 41 9.325 -4.957 8.453 1.00 0.54 C ATOM 661 O GLU A 41 8.182 -5.048 8.873 1.00 0.85 O ATOM 662 CB GLU A 41 10.144 -2.652 7.894 1.00 0.52 C ATOM 663 CG GLU A 41 11.308 -1.664 7.977 1.00 0.53 C ATOM 664 CD GLU A 41 11.520 -1.055 9.342 1.00 0.51 C ATOM 665 OE1 GLU A 41 12.217 -1.663 10.173 1.00 1.02 O ATOM 666 OE2 GLU A 41 11.001 0.046 9.597 1.00 1.30 O ATOM 0 H GLU A 41 12.117 -4.250 8.078 1.00 0.40 H new ATOM 0 HA GLU A 41 9.918 -3.465 9.867 1.00 0.46 H new ATOM 0 HB2 GLU A 41 10.095 -3.054 6.882 1.00 0.52 H new ATOM 0 HB3 GLU A 41 9.212 -2.114 8.069 1.00 0.52 H new ATOM 0 HG2 GLU A 41 12.223 -2.174 7.675 1.00 0.53 H new ATOM 0 HG3 GLU A 41 11.139 -0.862 7.258 1.00 0.53 H new ATOM 673 N LEU A 42 9.851 -5.875 7.656 1.00 0.40 N ATOM 674 CA LEU A 42 9.058 -7.006 7.190 1.00 0.41 C ATOM 675 C LEU A 42 9.756 -8.343 7.445 1.00 0.37 C ATOM 676 O LEU A 42 10.042 -9.089 6.503 1.00 0.36 O ATOM 677 CB LEU A 42 8.751 -6.846 5.703 1.00 0.44 C ATOM 678 CG LEU A 42 7.804 -5.698 5.368 1.00 0.50 C ATOM 679 CD1 LEU A 42 7.838 -5.408 3.883 1.00 0.65 C ATOM 680 CD2 LEU A 42 6.386 -6.033 5.810 1.00 0.74 C ATOM 0 H LEU A 42 10.814 -5.861 7.320 1.00 0.40 H new ATOM 0 HA LEU A 42 8.128 -7.014 7.758 1.00 0.41 H new ATOM 0 HB2 LEU A 42 9.688 -6.695 5.167 1.00 0.44 H new ATOM 0 HB3 LEU A 42 8.319 -7.776 5.333 1.00 0.44 H new ATOM 0 HG LEU A 42 8.132 -4.808 5.905 1.00 0.50 H new ATOM 0 HD11 LEU A 42 7.158 -4.587 3.657 1.00 0.65 H new ATOM 0 HD12 LEU A 42 8.851 -5.132 3.589 1.00 0.65 H new ATOM 0 HD13 LEU A 42 7.530 -6.296 3.332 1.00 0.65 H new ATOM 0 HD21 LEU A 42 5.723 -5.204 5.564 1.00 0.74 H new ATOM 0 HD22 LEU A 42 6.048 -6.933 5.296 1.00 0.74 H new ATOM 0 HD23 LEU A 42 6.371 -6.202 6.887 1.00 0.74 H new ATOM 692 N PRO A 43 10.018 -8.676 8.725 1.00 0.40 N ATOM 693 CA PRO A 43 10.634 -9.951 9.110 1.00 0.44 C ATOM 694 C PRO A 43 9.879 -11.156 8.579 1.00 0.45 C ATOM 695 O PRO A 43 10.462 -12.199 8.322 1.00 0.49 O ATOM 696 CB PRO A 43 10.541 -9.946 10.629 1.00 0.51 C ATOM 697 CG PRO A 43 10.535 -8.510 10.993 1.00 0.48 C ATOM 698 CD PRO A 43 9.761 -7.826 9.905 1.00 0.44 C ATOM 0 HA PRO A 43 11.645 -10.032 8.711 1.00 0.44 H new ATOM 0 HB2 PRO A 43 9.636 -10.447 10.973 1.00 0.51 H new ATOM 0 HB3 PRO A 43 11.385 -10.467 11.081 1.00 0.51 H new ATOM 0 HG2 PRO A 43 10.068 -8.353 11.965 1.00 0.48 H new ATOM 0 HG3 PRO A 43 11.550 -8.117 11.060 1.00 0.48 H new ATOM 0 HD2 PRO A 43 8.698 -7.773 10.139 1.00 0.44 H new ATOM 0 HD3 PRO A 43 10.105 -6.804 9.748 1.00 0.44 H new ATOM 706 N SER A 44 8.575 -11.013 8.444 1.00 0.45 N ATOM 707 CA SER A 44 7.747 -12.103 7.974 1.00 0.47 C ATOM 708 C SER A 44 7.898 -12.288 6.465 1.00 0.44 C ATOM 709 O SER A 44 8.142 -13.405 5.985 1.00 0.45 O ATOM 710 CB SER A 44 6.293 -11.846 8.346 1.00 0.51 C ATOM 711 OG SER A 44 5.476 -12.964 8.048 1.00 0.59 O ATOM 0 H SER A 44 8.068 -10.153 8.653 1.00 0.45 H new ATOM 0 HA SER A 44 8.074 -13.025 8.456 1.00 0.47 H new ATOM 0 HB2 SER A 44 6.223 -11.616 9.409 1.00 0.51 H new ATOM 0 HB3 SER A 44 5.927 -10.972 7.806 1.00 0.51 H new ATOM 0 HG SER A 44 4.549 -12.768 8.300 1.00 0.59 H new ATOM 717 N PHE A 45 7.810 -11.173 5.729 1.00 0.42 N ATOM 718 CA PHE A 45 7.805 -11.209 4.267 1.00 0.41 C ATOM 719 C PHE A 45 9.023 -11.950 3.743 1.00 0.42 C ATOM 720 O PHE A 45 8.900 -12.964 3.054 1.00 0.46 O ATOM 721 CB PHE A 45 7.764 -9.806 3.665 1.00 0.45 C ATOM 722 CG PHE A 45 7.533 -9.842 2.180 1.00 1.06 C ATOM 723 CD1 PHE A 45 6.261 -10.051 1.674 1.00 1.83 C ATOM 724 CD2 PHE A 45 8.586 -9.694 1.293 1.00 1.81 C ATOM 725 CE1 PHE A 45 6.044 -10.110 0.310 1.00 2.38 C ATOM 726 CE2 PHE A 45 8.375 -9.750 -0.072 1.00 2.38 C ATOM 727 CZ PHE A 45 7.102 -9.958 -0.564 1.00 2.41 C ATOM 0 H PHE A 45 7.741 -10.236 6.125 1.00 0.42 H new ATOM 0 HA PHE A 45 6.901 -11.738 3.964 1.00 0.41 H new ATOM 0 HB2 PHE A 45 6.972 -9.229 4.142 1.00 0.45 H new ATOM 0 HB3 PHE A 45 8.703 -9.293 3.874 1.00 0.45 H new ATOM 0 HD1 PHE A 45 5.429 -10.169 2.353 1.00 1.83 H new ATOM 0 HD2 PHE A 45 9.584 -9.533 1.672 1.00 1.81 H new ATOM 0 HE1 PHE A 45 5.047 -10.275 -0.072 1.00 2.38 H new ATOM 0 HE2 PHE A 45 9.205 -9.631 -0.753 1.00 2.38 H new ATOM 0 HZ PHE A 45 6.934 -10.002 -1.630 1.00 2.41 H new ATOM 737 N LEU A 46 10.198 -11.445 4.079 1.00 0.45 N ATOM 738 CA LEU A 46 11.428 -12.073 3.630 1.00 0.57 C ATOM 739 C LEU A 46 11.932 -13.093 4.633 1.00 0.65 C ATOM 740 O LEU A 46 12.895 -13.800 4.365 1.00 0.66 O ATOM 741 CB LEU A 46 12.508 -11.044 3.344 1.00 0.67 C ATOM 742 CG LEU A 46 12.282 -10.183 2.106 1.00 0.57 C ATOM 743 CD1 LEU A 46 13.532 -9.391 1.823 1.00 0.71 C ATOM 744 CD2 LEU A 46 11.899 -11.032 0.896 1.00 0.55 C ATOM 0 H LEU A 46 10.326 -10.612 4.654 1.00 0.45 H new ATOM 0 HA LEU A 46 11.195 -12.593 2.701 1.00 0.57 H new ATOM 0 HB2 LEU A 46 12.599 -10.388 4.210 1.00 0.67 H new ATOM 0 HB3 LEU A 46 13.460 -11.563 3.236 1.00 0.67 H new ATOM 0 HG LEU A 46 11.452 -9.504 2.298 1.00 0.57 H new ATOM 0 HD11 LEU A 46 13.378 -8.772 0.939 1.00 0.71 H new ATOM 0 HD12 LEU A 46 13.760 -8.753 2.677 1.00 0.71 H new ATOM 0 HD13 LEU A 46 14.364 -10.074 1.648 1.00 0.71 H new ATOM 0 HD21 LEU A 46 11.746 -10.386 0.032 1.00 0.55 H new ATOM 0 HD22 LEU A 46 12.698 -11.741 0.681 1.00 0.55 H new ATOM 0 HD23 LEU A 46 10.979 -11.576 1.110 1.00 0.55 H new ATOM 756 N GLY A 47 11.287 -13.178 5.784 1.00 0.74 N ATOM 757 CA GLY A 47 11.607 -14.240 6.715 1.00 0.90 C ATOM 758 C GLY A 47 11.401 -15.584 6.067 1.00 0.89 C ATOM 759 O GLY A 47 12.050 -16.571 6.414 1.00 0.99 O ATOM 0 H GLY A 47 10.554 -12.538 6.090 1.00 0.74 H new ATOM 0 HA2 GLY A 47 12.641 -14.143 7.046 1.00 0.90 H new ATOM 0 HA3 GLY A 47 10.979 -14.156 7.602 1.00 0.90 H new ATOM 763 N LYS A 48 10.484 -15.602 5.115 1.00 0.79 N ATOM 764 CA LYS A 48 10.269 -16.762 4.270 1.00 0.82 C ATOM 765 C LYS A 48 11.356 -16.907 3.206 1.00 0.78 C ATOM 766 O LYS A 48 11.702 -18.020 2.808 1.00 0.87 O ATOM 767 CB LYS A 48 8.933 -16.638 3.562 1.00 0.82 C ATOM 768 CG LYS A 48 7.722 -16.714 4.477 1.00 1.08 C ATOM 769 CD LYS A 48 7.593 -18.073 5.142 1.00 1.51 C ATOM 770 CE LYS A 48 6.361 -18.136 6.030 1.00 2.27 C ATOM 771 NZ LYS A 48 6.161 -19.488 6.612 1.00 3.17 N ATOM 0 H LYS A 48 9.870 -14.815 4.907 1.00 0.79 H new ATOM 0 HA LYS A 48 10.293 -17.639 4.917 1.00 0.82 H new ATOM 0 HB2 LYS A 48 8.908 -15.689 3.026 1.00 0.82 H new ATOM 0 HB3 LYS A 48 8.858 -17.428 2.815 1.00 0.82 H new ATOM 0 HG2 LYS A 48 7.798 -15.942 5.243 1.00 1.08 H new ATOM 0 HG3 LYS A 48 6.820 -16.505 3.902 1.00 1.08 H new ATOM 0 HD2 LYS A 48 7.535 -18.850 4.380 1.00 1.51 H new ATOM 0 HD3 LYS A 48 8.484 -18.276 5.737 1.00 1.51 H new ATOM 0 HE2 LYS A 48 6.456 -17.406 6.834 1.00 2.27 H new ATOM 0 HE3 LYS A 48 5.481 -17.858 5.449 1.00 2.27 H new ATOM 0 HZ1 LYS A 48 5.310 -19.486 7.210 1.00 3.17 H new ATOM 0 HZ2 LYS A 48 6.044 -20.182 5.846 1.00 3.17 H new ATOM 0 HZ3 LYS A 48 6.988 -19.744 7.188 1.00 3.17 H new ATOM 785 N ARG A 49 11.887 -15.784 2.742 1.00 0.73 N ATOM 786 CA ARG A 49 12.752 -15.784 1.572 1.00 0.81 C ATOM 787 C ARG A 49 13.794 -14.669 1.650 1.00 0.74 C ATOM 788 O ARG A 49 13.633 -13.602 1.064 1.00 1.00 O ATOM 789 CB ARG A 49 11.883 -15.660 0.311 1.00 0.95 C ATOM 790 CG ARG A 49 12.627 -15.883 -0.997 1.00 1.17 C ATOM 791 CD ARG A 49 12.941 -14.569 -1.688 1.00 1.02 C ATOM 792 NE ARG A 49 11.726 -13.829 -2.039 1.00 1.61 N ATOM 793 CZ ARG A 49 11.717 -12.690 -2.733 1.00 1.87 C ATOM 794 NH1 ARG A 49 12.852 -12.160 -3.168 1.00 2.14 N ATOM 795 NH2 ARG A 49 10.564 -12.087 -2.995 1.00 2.50 N ATOM 0 H ARG A 49 11.734 -14.865 3.157 1.00 0.73 H new ATOM 0 HA ARG A 49 13.306 -16.722 1.532 1.00 0.81 H new ATOM 0 HB2 ARG A 49 11.067 -16.379 0.376 1.00 0.95 H new ATOM 0 HB3 ARG A 49 11.433 -14.668 0.293 1.00 0.95 H new ATOM 0 HG2 ARG A 49 13.553 -16.424 -0.803 1.00 1.17 H new ATOM 0 HG3 ARG A 49 12.026 -16.508 -1.657 1.00 1.17 H new ATOM 0 HD2 ARG A 49 13.563 -13.956 -1.036 1.00 1.02 H new ATOM 0 HD3 ARG A 49 13.520 -14.763 -2.591 1.00 1.02 H new ATOM 0 HE ARG A 49 10.830 -14.209 -1.733 1.00 1.61 H new ATOM 0 HH11 ARG A 49 13.739 -12.624 -2.972 1.00 2.14 H new ATOM 0 HH12 ARG A 49 12.838 -11.289 -3.698 1.00 2.14 H new ATOM 0 HH21 ARG A 49 9.689 -12.495 -2.666 1.00 2.50 H new ATOM 0 HH22 ARG A 49 10.553 -11.216 -3.525 1.00 2.50 H new ATOM 809 N THR A 50 14.857 -14.919 2.398 1.00 0.76 N ATOM 810 CA THR A 50 15.978 -13.983 2.465 1.00 0.73 C ATOM 811 C THR A 50 17.208 -14.558 1.783 1.00 0.82 C ATOM 812 O THR A 50 17.544 -15.729 1.971 1.00 1.33 O ATOM 813 CB THR A 50 16.361 -13.590 3.910 1.00 0.74 C ATOM 814 OG1 THR A 50 16.217 -14.712 4.790 1.00 0.84 O ATOM 815 CG2 THR A 50 15.525 -12.427 4.412 1.00 0.63 C ATOM 0 H THR A 50 14.971 -15.758 2.967 1.00 0.76 H new ATOM 0 HA THR A 50 15.637 -13.086 1.948 1.00 0.73 H new ATOM 0 HB THR A 50 17.405 -13.276 3.898 1.00 0.74 H new ATOM 0 HG1 THR A 50 16.465 -14.448 5.701 1.00 0.84 H new ATOM 0 HG21 THR A 50 15.822 -12.178 5.431 1.00 0.63 H new ATOM 0 HG22 THR A 50 15.681 -11.562 3.767 1.00 0.63 H new ATOM 0 HG23 THR A 50 14.471 -12.704 4.399 1.00 0.63 H new ATOM 823 N ASP A 51 17.865 -13.726 0.989 1.00 0.57 N ATOM 824 CA ASP A 51 19.096 -14.099 0.306 1.00 0.62 C ATOM 825 C ASP A 51 19.642 -12.889 -0.431 1.00 0.58 C ATOM 826 O ASP A 51 18.870 -12.008 -0.806 1.00 0.55 O ATOM 827 CB ASP A 51 18.857 -15.252 -0.679 1.00 0.69 C ATOM 828 CG ASP A 51 20.123 -15.686 -1.390 1.00 1.26 C ATOM 829 OD1 ASP A 51 20.906 -16.458 -0.804 1.00 2.01 O ATOM 830 OD2 ASP A 51 20.336 -15.258 -2.541 1.00 1.78 O ATOM 0 H ASP A 51 17.560 -12.771 0.799 1.00 0.57 H new ATOM 0 HA ASP A 51 19.819 -14.439 1.048 1.00 0.62 H new ATOM 0 HB2 ASP A 51 18.437 -16.102 -0.142 1.00 0.69 H new ATOM 0 HB3 ASP A 51 18.117 -14.945 -1.418 1.00 0.69 H new ATOM 835 N GLU A 52 20.949 -12.827 -0.617 1.00 0.67 N ATOM 836 CA GLU A 52 21.568 -11.704 -1.321 1.00 0.71 C ATOM 837 C GLU A 52 20.898 -11.478 -2.672 1.00 0.67 C ATOM 838 O GLU A 52 20.563 -10.344 -3.038 1.00 0.63 O ATOM 839 CB GLU A 52 23.059 -11.957 -1.523 1.00 0.87 C ATOM 840 CG GLU A 52 23.817 -12.169 -0.229 1.00 0.95 C ATOM 841 CD GLU A 52 25.290 -12.419 -0.456 1.00 1.31 C ATOM 842 OE1 GLU A 52 25.647 -13.530 -0.900 1.00 1.81 O ATOM 843 OE2 GLU A 52 26.102 -11.510 -0.190 1.00 1.91 O ATOM 0 H GLU A 52 21.606 -13.537 -0.293 1.00 0.67 H new ATOM 0 HA GLU A 52 21.438 -10.811 -0.710 1.00 0.71 H new ATOM 0 HB2 GLU A 52 23.188 -12.834 -2.158 1.00 0.87 H new ATOM 0 HB3 GLU A 52 23.494 -11.111 -2.055 1.00 0.87 H new ATOM 0 HG2 GLU A 52 23.694 -11.293 0.408 1.00 0.95 H new ATOM 0 HG3 GLU A 52 23.386 -13.015 0.306 1.00 0.95 H new ATOM 850 N ALA A 53 20.669 -12.570 -3.389 1.00 0.71 N ATOM 851 CA ALA A 53 20.037 -12.511 -4.697 1.00 0.76 C ATOM 852 C ALA A 53 18.577 -12.095 -4.568 1.00 0.66 C ATOM 853 O ALA A 53 18.034 -11.418 -5.443 1.00 0.69 O ATOM 854 CB ALA A 53 20.150 -13.855 -5.397 1.00 0.91 C ATOM 0 H ALA A 53 20.914 -13.512 -3.083 1.00 0.71 H new ATOM 0 HA ALA A 53 20.553 -11.762 -5.298 1.00 0.76 H new ATOM 0 HB1 ALA A 53 19.673 -13.797 -6.375 1.00 0.91 H new ATOM 0 HB2 ALA A 53 21.202 -14.113 -5.521 1.00 0.91 H new ATOM 0 HB3 ALA A 53 19.657 -14.620 -4.797 1.00 0.91 H new ATOM 860 N ALA A 54 17.953 -12.478 -3.461 1.00 0.60 N ATOM 861 CA ALA A 54 16.558 -12.148 -3.215 1.00 0.59 C ATOM 862 C ALA A 54 16.368 -10.643 -3.171 1.00 0.48 C ATOM 863 O ALA A 54 15.393 -10.119 -3.704 1.00 0.46 O ATOM 864 CB ALA A 54 16.078 -12.783 -1.919 1.00 0.64 C ATOM 0 H ALA A 54 18.394 -13.019 -2.718 1.00 0.60 H new ATOM 0 HA ALA A 54 15.961 -12.548 -4.035 1.00 0.59 H new ATOM 0 HB1 ALA A 54 15.032 -12.524 -1.753 1.00 0.64 H new ATOM 0 HB2 ALA A 54 16.178 -13.866 -1.986 1.00 0.64 H new ATOM 0 HB3 ALA A 54 16.680 -12.414 -1.088 1.00 0.64 H new ATOM 870 N PHE A 55 17.314 -9.952 -2.547 1.00 0.46 N ATOM 871 CA PHE A 55 17.266 -8.500 -2.457 1.00 0.42 C ATOM 872 C PHE A 55 17.593 -7.868 -3.803 1.00 0.44 C ATOM 873 O PHE A 55 17.051 -6.827 -4.151 1.00 0.45 O ATOM 874 CB PHE A 55 18.232 -7.992 -1.391 1.00 0.44 C ATOM 875 CG PHE A 55 17.875 -8.427 0.002 1.00 1.06 C ATOM 876 CD1 PHE A 55 16.863 -7.791 0.701 1.00 1.98 C ATOM 877 CD2 PHE A 55 18.558 -9.462 0.617 1.00 1.87 C ATOM 878 CE1 PHE A 55 16.542 -8.180 1.986 1.00 2.77 C ATOM 879 CE2 PHE A 55 18.238 -9.857 1.902 1.00 2.70 C ATOM 880 CZ PHE A 55 17.229 -9.215 2.587 1.00 2.95 C ATOM 0 H PHE A 55 18.125 -10.376 -2.095 1.00 0.46 H new ATOM 0 HA PHE A 55 16.253 -8.213 -2.173 1.00 0.42 H new ATOM 0 HB2 PHE A 55 19.237 -8.344 -1.626 1.00 0.44 H new ATOM 0 HB3 PHE A 55 18.259 -6.903 -1.427 1.00 0.44 H new ATOM 0 HD1 PHE A 55 16.319 -6.982 0.236 1.00 1.98 H new ATOM 0 HD2 PHE A 55 19.351 -9.967 0.086 1.00 1.87 H new ATOM 0 HE1 PHE A 55 15.752 -7.674 2.522 1.00 2.77 H new ATOM 0 HE2 PHE A 55 18.778 -10.668 2.369 1.00 2.70 H new ATOM 0 HZ PHE A 55 16.977 -9.521 3.591 1.00 2.95 H new ATOM 890 N GLN A 56 18.493 -8.499 -4.547 1.00 0.49 N ATOM 891 CA GLN A 56 18.806 -8.077 -5.909 1.00 0.54 C ATOM 892 C GLN A 56 17.553 -8.099 -6.779 1.00 0.53 C ATOM 893 O GLN A 56 17.239 -7.120 -7.455 1.00 0.57 O ATOM 894 CB GLN A 56 19.881 -8.996 -6.498 1.00 0.62 C ATOM 895 CG GLN A 56 20.119 -8.825 -7.994 1.00 0.76 C ATOM 896 CD GLN A 56 20.639 -7.450 -8.364 1.00 0.98 C ATOM 897 OE1 GLN A 56 21.845 -7.211 -8.365 1.00 1.69 O ATOM 898 NE2 GLN A 56 19.737 -6.538 -8.687 1.00 0.87 N ATOM 0 H GLN A 56 19.023 -9.310 -4.228 1.00 0.49 H new ATOM 0 HA GLN A 56 19.184 -7.055 -5.884 1.00 0.54 H new ATOM 0 HB2 GLN A 56 20.819 -8.818 -5.972 1.00 0.62 H new ATOM 0 HB3 GLN A 56 19.599 -10.031 -6.305 1.00 0.62 H new ATOM 0 HG2 GLN A 56 20.832 -9.578 -8.330 1.00 0.76 H new ATOM 0 HG3 GLN A 56 19.186 -9.009 -8.527 1.00 0.76 H new ATOM 0 HE21 GLN A 56 18.745 -6.775 -8.674 1.00 0.87 H new ATOM 0 HE22 GLN A 56 20.033 -5.598 -8.949 1.00 0.87 H new ATOM 907 N LYS A 57 16.838 -9.215 -6.753 1.00 0.51 N ATOM 908 CA LYS A 57 15.619 -9.342 -7.537 1.00 0.52 C ATOM 909 C LYS A 57 14.521 -8.445 -6.984 1.00 0.48 C ATOM 910 O LYS A 57 13.827 -7.782 -7.744 1.00 0.48 O ATOM 911 CB LYS A 57 15.145 -10.796 -7.593 1.00 0.55 C ATOM 912 CG LYS A 57 15.566 -11.523 -8.864 1.00 0.76 C ATOM 913 CD LYS A 57 17.076 -11.673 -8.972 1.00 1.01 C ATOM 914 CE LYS A 57 17.601 -12.769 -8.057 1.00 0.87 C ATOM 915 NZ LYS A 57 17.051 -14.106 -8.408 1.00 1.60 N ATOM 0 H LYS A 57 17.079 -10.039 -6.202 1.00 0.51 H new ATOM 0 HA LYS A 57 15.846 -9.021 -8.554 1.00 0.52 H new ATOM 0 HB2 LYS A 57 15.539 -11.332 -6.730 1.00 0.55 H new ATOM 0 HB3 LYS A 57 14.058 -10.819 -7.514 1.00 0.55 H new ATOM 0 HG2 LYS A 57 15.103 -12.510 -8.886 1.00 0.76 H new ATOM 0 HG3 LYS A 57 15.195 -10.978 -9.732 1.00 0.76 H new ATOM 0 HD2 LYS A 57 17.346 -11.900 -10.003 1.00 1.01 H new ATOM 0 HD3 LYS A 57 17.554 -10.727 -8.718 1.00 1.01 H new ATOM 0 HE2 LYS A 57 18.689 -12.799 -8.116 1.00 0.87 H new ATOM 0 HE3 LYS A 57 17.344 -12.532 -7.025 1.00 0.87 H new ATOM 0 HZ1 LYS A 57 17.672 -14.848 -8.026 1.00 1.60 H new ATOM 0 HZ2 LYS A 57 16.099 -14.207 -8.001 1.00 1.60 H new ATOM 0 HZ3 LYS A 57 16.997 -14.199 -9.442 1.00 1.60 H new ATOM 929 N LEU A 58 14.380 -8.414 -5.660 1.00 0.46 N ATOM 930 CA LEU A 58 13.380 -7.573 -5.017 1.00 0.43 C ATOM 931 C LEU A 58 13.595 -6.117 -5.384 1.00 0.43 C ATOM 932 O LEU A 58 12.652 -5.413 -5.728 1.00 0.42 O ATOM 933 CB LEU A 58 13.440 -7.731 -3.501 1.00 0.43 C ATOM 934 CG LEU A 58 12.270 -7.119 -2.743 1.00 0.39 C ATOM 935 CD1 LEU A 58 10.966 -7.760 -3.179 1.00 0.40 C ATOM 936 CD2 LEU A 58 12.470 -7.282 -1.251 1.00 0.41 C ATOM 0 H LEU A 58 14.947 -8.963 -5.014 1.00 0.46 H new ATOM 0 HA LEU A 58 12.398 -7.889 -5.368 1.00 0.43 H new ATOM 0 HB2 LEU A 58 13.491 -8.794 -3.263 1.00 0.43 H new ATOM 0 HB3 LEU A 58 14.364 -7.279 -3.140 1.00 0.43 H new ATOM 0 HG LEU A 58 12.223 -6.054 -2.972 1.00 0.39 H new ATOM 0 HD11 LEU A 58 10.139 -7.312 -2.628 1.00 0.40 H new ATOM 0 HD12 LEU A 58 10.821 -7.599 -4.247 1.00 0.40 H new ATOM 0 HD13 LEU A 58 11.001 -8.830 -2.975 1.00 0.40 H new ATOM 0 HD21 LEU A 58 11.627 -6.840 -0.720 1.00 0.41 H new ATOM 0 HD22 LEU A 58 12.537 -8.342 -1.007 1.00 0.41 H new ATOM 0 HD23 LEU A 58 13.390 -6.781 -0.950 1.00 0.41 H new ATOM 948 N MET A 59 14.843 -5.675 -5.300 1.00 0.46 N ATOM 949 CA MET A 59 15.213 -4.342 -5.739 1.00 0.48 C ATOM 950 C MET A 59 14.723 -4.107 -7.151 1.00 0.48 C ATOM 951 O MET A 59 13.930 -3.215 -7.391 1.00 0.49 O ATOM 952 CB MET A 59 16.723 -4.151 -5.680 1.00 0.54 C ATOM 953 CG MET A 59 17.185 -2.941 -6.465 1.00 0.57 C ATOM 954 SD MET A 59 18.190 -3.408 -7.875 1.00 1.64 S ATOM 955 CE MET A 59 19.725 -3.806 -7.049 1.00 2.39 C ATOM 0 H MET A 59 15.617 -6.226 -4.929 1.00 0.46 H new ATOM 0 HA MET A 59 14.746 -3.620 -5.069 1.00 0.48 H new ATOM 0 HB2 MET A 59 17.032 -4.045 -4.640 1.00 0.54 H new ATOM 0 HB3 MET A 59 17.214 -5.042 -6.070 1.00 0.54 H new ATOM 0 HG2 MET A 59 16.318 -2.377 -6.808 1.00 0.57 H new ATOM 0 HG3 MET A 59 17.757 -2.281 -5.813 1.00 0.57 H new ATOM 0 HE1 MET A 59 20.530 -3.858 -7.782 1.00 2.39 H new ATOM 0 HE2 MET A 59 19.953 -3.035 -6.313 1.00 2.39 H new ATOM 0 HE3 MET A 59 19.629 -4.769 -6.547 1.00 2.39 H new ATOM 965 N SER A 60 15.174 -4.947 -8.062 1.00 0.50 N ATOM 966 CA SER A 60 14.801 -4.846 -9.466 1.00 0.53 C ATOM 967 C SER A 60 13.276 -4.881 -9.650 1.00 0.52 C ATOM 968 O SER A 60 12.747 -4.361 -10.637 1.00 0.56 O ATOM 969 CB SER A 60 15.480 -5.976 -10.248 1.00 0.56 C ATOM 970 OG SER A 60 15.087 -5.988 -11.607 1.00 1.35 O ATOM 0 H SER A 60 15.808 -5.718 -7.854 1.00 0.50 H new ATOM 0 HA SER A 60 15.141 -3.885 -9.853 1.00 0.53 H new ATOM 0 HB2 SER A 60 16.562 -5.862 -10.184 1.00 0.56 H new ATOM 0 HB3 SER A 60 15.233 -6.934 -9.790 1.00 0.56 H new ATOM 0 HG SER A 60 15.542 -6.721 -12.073 1.00 1.35 H new ATOM 976 N ASN A 61 12.574 -5.485 -8.694 1.00 0.49 N ATOM 977 CA ASN A 61 11.120 -5.551 -8.737 1.00 0.51 C ATOM 978 C ASN A 61 10.492 -4.217 -8.364 1.00 0.50 C ATOM 979 O ASN A 61 9.615 -3.715 -9.064 1.00 0.57 O ATOM 980 CB ASN A 61 10.592 -6.634 -7.790 1.00 0.49 C ATOM 981 CG ASN A 61 10.859 -8.039 -8.289 1.00 0.58 C ATOM 982 OD1 ASN A 61 10.920 -8.286 -9.496 1.00 0.80 O ATOM 983 ND2 ASN A 61 11.014 -8.975 -7.364 1.00 0.58 N ATOM 0 H ASN A 61 12.992 -5.936 -7.880 1.00 0.49 H new ATOM 0 HA ASN A 61 10.843 -5.799 -9.762 1.00 0.51 H new ATOM 0 HB2 ASN A 61 11.053 -6.509 -6.810 1.00 0.49 H new ATOM 0 HB3 ASN A 61 9.519 -6.500 -7.656 1.00 0.49 H new ATOM 0 HD21 ASN A 61 11.191 -9.941 -7.640 1.00 0.58 H new ATOM 0 HD22 ASN A 61 10.956 -8.730 -6.376 1.00 0.58 H new ATOM 990 N LEU A 62 10.950 -3.651 -7.262 1.00 0.44 N ATOM 991 CA LEU A 62 10.357 -2.440 -6.718 1.00 0.44 C ATOM 992 C LEU A 62 10.924 -1.237 -7.435 1.00 0.49 C ATOM 993 O LEU A 62 10.191 -0.386 -7.926 1.00 0.55 O ATOM 994 CB LEU A 62 10.667 -2.346 -5.228 1.00 0.38 C ATOM 995 CG LEU A 62 10.648 -3.683 -4.489 1.00 0.35 C ATOM 996 CD1 LEU A 62 10.949 -3.486 -3.011 1.00 0.31 C ATOM 997 CD2 LEU A 62 9.320 -4.394 -4.697 1.00 0.35 C ATOM 0 H LEU A 62 11.736 -4.013 -6.722 1.00 0.44 H new ATOM 0 HA LEU A 62 9.276 -2.467 -6.859 1.00 0.44 H new ATOM 0 HB2 LEU A 62 11.649 -1.890 -5.103 1.00 0.38 H new ATOM 0 HB3 LEU A 62 9.944 -1.677 -4.761 1.00 0.38 H new ATOM 0 HG LEU A 62 11.431 -4.317 -4.904 1.00 0.35 H new ATOM 0 HD11 LEU A 62 10.930 -4.451 -2.504 1.00 0.31 H new ATOM 0 HD12 LEU A 62 11.935 -3.035 -2.897 1.00 0.31 H new ATOM 0 HD13 LEU A 62 10.198 -2.830 -2.571 1.00 0.31 H new ATOM 0 HD21 LEU A 62 9.328 -5.344 -4.162 1.00 0.35 H new ATOM 0 HD22 LEU A 62 8.510 -3.771 -4.318 1.00 0.35 H new ATOM 0 HD23 LEU A 62 9.168 -4.578 -5.761 1.00 0.35 H new ATOM 1009 N ASP A 63 12.244 -1.206 -7.480 1.00 0.48 N ATOM 1010 CA ASP A 63 13.012 -0.208 -8.208 1.00 0.54 C ATOM 1011 C ASP A 63 12.753 -0.372 -9.704 1.00 0.57 C ATOM 1012 O ASP A 63 13.573 -0.909 -10.440 1.00 0.63 O ATOM 1013 CB ASP A 63 14.498 -0.416 -7.857 1.00 0.56 C ATOM 1014 CG ASP A 63 15.482 0.428 -8.641 1.00 0.67 C ATOM 1015 OD1 ASP A 63 15.562 1.646 -8.409 1.00 1.24 O ATOM 1016 OD2 ASP A 63 16.217 -0.142 -9.467 1.00 1.34 O ATOM 0 H ASP A 63 12.828 -1.891 -7.000 1.00 0.48 H new ATOM 0 HA ASP A 63 12.721 0.806 -7.934 1.00 0.54 H new ATOM 0 HB2 ASP A 63 14.634 -0.208 -6.796 1.00 0.56 H new ATOM 0 HB3 ASP A 63 14.745 -1.466 -8.011 1.00 0.56 H new ATOM 1021 N SER A 64 11.582 0.071 -10.140 1.00 0.59 N ATOM 1022 CA SER A 64 11.169 -0.091 -11.525 1.00 0.64 C ATOM 1023 C SER A 64 11.852 0.966 -12.377 1.00 0.66 C ATOM 1024 O SER A 64 11.998 0.821 -13.593 1.00 0.76 O ATOM 1025 CB SER A 64 9.643 0.015 -11.639 1.00 0.72 C ATOM 1026 OG SER A 64 9.189 -0.360 -12.930 1.00 1.37 O ATOM 0 H SER A 64 10.899 0.547 -9.551 1.00 0.59 H new ATOM 0 HA SER A 64 11.463 -1.078 -11.883 1.00 0.64 H new ATOM 0 HB2 SER A 64 9.176 -0.623 -10.889 1.00 0.72 H new ATOM 0 HB3 SER A 64 9.332 1.038 -11.426 1.00 0.72 H new ATOM 0 HG SER A 64 8.213 -0.283 -12.969 1.00 1.37 H new ATOM 1032 N ASN A 65 12.282 2.028 -11.713 1.00 0.63 N ATOM 1033 CA ASN A 65 13.073 3.066 -12.350 1.00 0.72 C ATOM 1034 C ASN A 65 14.481 2.538 -12.651 1.00 0.69 C ATOM 1035 O ASN A 65 15.218 3.094 -13.464 1.00 0.77 O ATOM 1036 CB ASN A 65 13.157 4.293 -11.441 1.00 0.79 C ATOM 1037 CG ASN A 65 14.231 4.126 -10.398 1.00 1.01 C ATOM 1038 OD1 ASN A 65 15.335 4.638 -10.549 1.00 1.65 O ATOM 1039 ND2 ASN A 65 13.920 3.392 -9.350 1.00 1.16 N ATOM 0 H ASN A 65 12.093 2.193 -10.724 1.00 0.63 H new ATOM 0 HA ASN A 65 12.594 3.353 -13.286 1.00 0.72 H new ATOM 0 HB2 ASN A 65 13.363 5.180 -12.041 1.00 0.79 H new ATOM 0 HB3 ASN A 65 12.195 4.454 -10.954 1.00 0.79 H new ATOM 0 HD21 ASN A 65 14.612 3.228 -8.619 1.00 1.16 H new ATOM 0 HD22 ASN A 65 12.987 2.987 -9.270 1.00 1.16 H new ATOM 1046 N ARG A 66 14.808 1.433 -11.966 1.00 0.60 N ATOM 1047 CA ARG A 66 16.064 0.709 -12.107 1.00 0.60 C ATOM 1048 C ARG A 66 17.295 1.586 -11.944 1.00 0.61 C ATOM 1049 O ARG A 66 18.181 1.608 -12.797 1.00 0.69 O ATOM 1050 CB ARG A 66 16.092 -0.041 -13.418 1.00 0.67 C ATOM 1051 CG ARG A 66 15.011 -1.100 -13.510 1.00 0.71 C ATOM 1052 CD ARG A 66 15.220 -2.240 -12.512 1.00 0.71 C ATOM 1053 NE ARG A 66 14.239 -3.307 -12.724 1.00 0.78 N ATOM 1054 CZ ARG A 66 14.238 -4.122 -13.784 1.00 1.20 C ATOM 1055 NH1 ARG A 66 15.194 -4.036 -14.699 1.00 2.24 N ATOM 1056 NH2 ARG A 66 13.284 -5.034 -13.922 1.00 1.15 N ATOM 0 H ARG A 66 14.182 1.012 -11.280 1.00 0.60 H new ATOM 0 HA ARG A 66 16.106 -0.006 -11.285 1.00 0.60 H new ATOM 0 HB2 ARG A 66 15.973 0.666 -14.239 1.00 0.67 H new ATOM 0 HB3 ARG A 66 17.067 -0.512 -13.542 1.00 0.67 H new ATOM 0 HG2 ARG A 66 14.039 -0.639 -13.332 1.00 0.71 H new ATOM 0 HG3 ARG A 66 14.990 -1.506 -14.521 1.00 0.71 H new ATOM 0 HD2 ARG A 66 16.228 -2.641 -12.618 1.00 0.71 H new ATOM 0 HD3 ARG A 66 15.134 -1.858 -11.495 1.00 0.71 H new ATOM 0 HE ARG A 66 13.512 -3.436 -12.020 1.00 0.78 H new ATOM 0 HH11 ARG A 66 15.937 -3.345 -14.597 1.00 2.24 H new ATOM 0 HH12 ARG A 66 15.186 -4.661 -15.505 1.00 2.24 H new ATOM 0 HH21 ARG A 66 12.550 -5.114 -13.219 1.00 1.15 H new ATOM 0 HH22 ARG A 66 13.285 -5.655 -14.731 1.00 1.15 H new ATOM 1070 N ASP A 67 17.349 2.286 -10.828 1.00 0.58 N ATOM 1071 CA ASP A 67 18.547 3.016 -10.432 1.00 0.62 C ATOM 1072 C ASP A 67 19.257 2.209 -9.359 1.00 0.56 C ATOM 1073 O ASP A 67 20.333 2.571 -8.879 1.00 0.57 O ATOM 1074 CB ASP A 67 18.186 4.408 -9.910 1.00 0.70 C ATOM 1075 CG ASP A 67 19.393 5.303 -9.714 1.00 1.07 C ATOM 1076 OD1 ASP A 67 20.251 5.363 -10.617 1.00 1.72 O ATOM 1077 OD2 ASP A 67 19.473 5.980 -8.668 1.00 1.64 O ATOM 0 H ASP A 67 16.573 2.368 -10.172 1.00 0.58 H new ATOM 0 HA ASP A 67 19.202 3.152 -11.293 1.00 0.62 H new ATOM 0 HB2 ASP A 67 17.498 4.884 -10.609 1.00 0.70 H new ATOM 0 HB3 ASP A 67 17.658 4.308 -8.962 1.00 0.70 H new ATOM 1082 N ASN A 68 18.612 1.100 -9.001 1.00 0.53 N ATOM 1083 CA ASN A 68 19.119 0.139 -8.028 1.00 0.51 C ATOM 1084 C ASN A 68 19.035 0.676 -6.618 1.00 0.47 C ATOM 1085 O ASN A 68 19.772 0.257 -5.725 1.00 0.48 O ATOM 1086 CB ASN A 68 20.528 -0.339 -8.382 1.00 0.58 C ATOM 1087 CG ASN A 68 20.518 -1.213 -9.622 1.00 0.73 C ATOM 1088 OD1 ASN A 68 21.525 -1.350 -10.316 1.00 1.08 O ATOM 1089 ND2 ASN A 68 19.360 -1.793 -9.921 1.00 0.66 N ATOM 0 H ASN A 68 17.705 0.841 -9.388 1.00 0.53 H new ATOM 0 HA ASN A 68 18.472 -0.737 -8.071 1.00 0.51 H new ATOM 0 HB2 ASN A 68 21.176 0.522 -8.547 1.00 0.58 H new ATOM 0 HB3 ASN A 68 20.946 -0.897 -7.544 1.00 0.58 H new ATOM 0 HD21 ASN A 68 19.282 -2.378 -10.753 1.00 0.66 H new ATOM 0 HD22 ASN A 68 18.549 -1.653 -9.318 1.00 0.66 H new ATOM 1096 N GLU A 69 18.103 1.591 -6.425 1.00 0.46 N ATOM 1097 CA GLU A 69 17.731 2.049 -5.105 1.00 0.42 C ATOM 1098 C GLU A 69 16.235 2.274 -5.079 1.00 0.41 C ATOM 1099 O GLU A 69 15.711 3.104 -5.821 1.00 0.44 O ATOM 1100 CB GLU A 69 18.441 3.341 -4.716 1.00 0.46 C ATOM 1101 CG GLU A 69 19.951 3.290 -4.825 1.00 0.50 C ATOM 1102 CD GLU A 69 20.612 4.537 -4.278 1.00 0.65 C ATOM 1103 OE1 GLU A 69 20.927 4.568 -3.069 1.00 1.29 O ATOM 1104 OE2 GLU A 69 20.833 5.490 -5.056 1.00 1.31 O ATOM 0 H GLU A 69 17.584 2.036 -7.182 1.00 0.46 H new ATOM 0 HA GLU A 69 18.029 1.286 -4.386 1.00 0.42 H new ATOM 0 HB2 GLU A 69 18.071 4.148 -5.349 1.00 0.46 H new ATOM 0 HB3 GLU A 69 18.172 3.593 -3.690 1.00 0.46 H new ATOM 0 HG2 GLU A 69 20.322 2.419 -4.285 1.00 0.50 H new ATOM 0 HG3 GLU A 69 20.233 3.161 -5.870 1.00 0.50 H new ATOM 1111 N VAL A 70 15.556 1.549 -4.220 1.00 0.37 N ATOM 1112 CA VAL A 70 14.107 1.629 -4.154 1.00 0.36 C ATOM 1113 C VAL A 70 13.670 2.866 -3.393 1.00 0.35 C ATOM 1114 O VAL A 70 13.972 3.021 -2.215 1.00 0.36 O ATOM 1115 CB VAL A 70 13.489 0.406 -3.467 1.00 0.34 C ATOM 1116 CG1 VAL A 70 12.009 0.639 -3.261 1.00 0.34 C ATOM 1117 CG2 VAL A 70 13.713 -0.844 -4.285 1.00 0.37 C ATOM 0 H VAL A 70 15.978 0.898 -3.558 1.00 0.37 H new ATOM 0 HA VAL A 70 13.758 1.672 -5.186 1.00 0.36 H new ATOM 0 HB VAL A 70 13.973 0.265 -2.500 1.00 0.34 H new ATOM 0 HG11 VAL A 70 11.568 -0.230 -2.773 1.00 0.34 H new ATOM 0 HG12 VAL A 70 11.863 1.520 -2.636 1.00 0.34 H new ATOM 0 HG13 VAL A 70 11.528 0.796 -4.226 1.00 0.34 H new ATOM 0 HG21 VAL A 70 13.265 -1.697 -3.776 1.00 0.37 H new ATOM 0 HG22 VAL A 70 13.253 -0.724 -5.266 1.00 0.37 H new ATOM 0 HG23 VAL A 70 14.783 -1.014 -4.405 1.00 0.37 H new ATOM 1127 N ASP A 71 12.939 3.732 -4.064 1.00 0.38 N ATOM 1128 CA ASP A 71 12.473 4.953 -3.429 1.00 0.39 C ATOM 1129 C ASP A 71 11.176 4.683 -2.681 1.00 0.37 C ATOM 1130 O ASP A 71 10.591 3.607 -2.827 1.00 0.35 O ATOM 1131 CB ASP A 71 12.308 6.084 -4.453 1.00 0.45 C ATOM 1132 CG ASP A 71 10.976 6.085 -5.188 1.00 0.77 C ATOM 1133 OD1 ASP A 71 9.973 6.570 -4.618 1.00 1.35 O ATOM 1134 OD2 ASP A 71 10.935 5.648 -6.345 1.00 1.43 O ATOM 0 H ASP A 71 12.656 3.618 -5.037 1.00 0.38 H new ATOM 0 HA ASP A 71 13.223 5.282 -2.710 1.00 0.39 H new ATOM 0 HB2 ASP A 71 12.426 7.039 -3.942 1.00 0.45 H new ATOM 0 HB3 ASP A 71 13.112 6.013 -5.186 1.00 0.45 H new ATOM 1139 N PHE A 72 10.743 5.651 -1.868 1.00 0.41 N ATOM 1140 CA PHE A 72 9.536 5.495 -1.050 1.00 0.44 C ATOM 1141 C PHE A 72 8.392 4.904 -1.859 1.00 0.40 C ATOM 1142 O PHE A 72 7.812 3.901 -1.473 1.00 0.42 O ATOM 1143 CB PHE A 72 9.035 6.825 -0.509 1.00 0.54 C ATOM 1144 CG PHE A 72 9.975 7.624 0.335 1.00 0.94 C ATOM 1145 CD1 PHE A 72 10.945 8.421 -0.242 1.00 1.69 C ATOM 1146 CD2 PHE A 72 9.837 7.633 1.707 1.00 1.70 C ATOM 1147 CE1 PHE A 72 11.764 9.206 0.538 1.00 2.18 C ATOM 1148 CE2 PHE A 72 10.657 8.405 2.493 1.00 2.17 C ATOM 1149 CZ PHE A 72 11.624 9.197 1.908 1.00 2.15 C ATOM 0 H PHE A 72 11.210 6.551 -1.759 1.00 0.41 H new ATOM 0 HA PHE A 72 9.824 4.835 -0.232 1.00 0.44 H new ATOM 0 HB2 PHE A 72 8.736 7.442 -1.356 1.00 0.54 H new ATOM 0 HB3 PHE A 72 8.137 6.633 0.078 1.00 0.54 H new ATOM 0 HD1 PHE A 72 11.062 8.428 -1.316 1.00 1.69 H new ATOM 0 HD2 PHE A 72 9.074 7.025 2.170 1.00 1.70 H new ATOM 0 HE1 PHE A 72 12.516 9.828 0.076 1.00 2.18 H new ATOM 0 HE2 PHE A 72 10.545 8.392 3.567 1.00 2.17 H new ATOM 0 HZ PHE A 72 12.269 9.808 2.523 1.00 2.15 H new ATOM 1159 N GLN A 73 8.066 5.559 -2.970 1.00 0.38 N ATOM 1160 CA GLN A 73 6.959 5.144 -3.829 1.00 0.37 C ATOM 1161 C GLN A 73 7.125 3.713 -4.319 1.00 0.36 C ATOM 1162 O GLN A 73 6.202 2.912 -4.201 1.00 0.37 O ATOM 1163 CB GLN A 73 6.819 6.095 -5.022 1.00 0.41 C ATOM 1164 CG GLN A 73 5.762 5.674 -6.036 1.00 0.50 C ATOM 1165 CD GLN A 73 6.359 5.056 -7.288 1.00 0.42 C ATOM 1166 OE1 GLN A 73 6.599 5.739 -8.285 1.00 0.63 O ATOM 1167 NE2 GLN A 73 6.633 3.766 -7.232 1.00 0.41 N ATOM 0 H GLN A 73 8.559 6.389 -3.300 1.00 0.38 H new ATOM 0 HA GLN A 73 6.051 5.186 -3.228 1.00 0.37 H new ATOM 0 HB2 GLN A 73 6.575 7.091 -4.652 1.00 0.41 H new ATOM 0 HB3 GLN A 73 7.782 6.170 -5.527 1.00 0.41 H new ATOM 0 HG2 GLN A 73 5.084 4.958 -5.571 1.00 0.50 H new ATOM 0 HG3 GLN A 73 5.166 6.543 -6.314 1.00 0.50 H new ATOM 0 HE21 GLN A 73 6.419 3.235 -6.388 1.00 0.41 H new ATOM 0 HE22 GLN A 73 7.059 3.300 -8.033 1.00 0.41 H new ATOM 1176 N GLU A 74 8.286 3.393 -4.885 1.00 0.37 N ATOM 1177 CA GLU A 74 8.537 2.052 -5.399 1.00 0.40 C ATOM 1178 C GLU A 74 8.408 1.030 -4.276 1.00 0.38 C ATOM 1179 O GLU A 74 8.016 -0.116 -4.497 1.00 0.41 O ATOM 1180 CB GLU A 74 9.925 1.985 -6.037 1.00 0.45 C ATOM 1181 CG GLU A 74 10.119 2.972 -7.181 1.00 0.59 C ATOM 1182 CD GLU A 74 9.548 2.510 -8.509 1.00 1.40 C ATOM 1183 OE1 GLU A 74 8.336 2.223 -8.581 1.00 2.18 O ATOM 1184 OE2 GLU A 74 10.311 2.458 -9.499 1.00 2.04 O ATOM 0 H GLU A 74 9.064 4.042 -4.998 1.00 0.37 H new ATOM 0 HA GLU A 74 7.796 1.818 -6.164 1.00 0.40 H new ATOM 0 HB2 GLU A 74 10.677 2.177 -5.272 1.00 0.45 H new ATOM 0 HB3 GLU A 74 10.097 0.974 -6.407 1.00 0.45 H new ATOM 0 HG2 GLU A 74 9.655 3.920 -6.910 1.00 0.59 H new ATOM 0 HG3 GLU A 74 11.185 3.162 -7.304 1.00 0.59 H new ATOM 1191 N TYR A 75 8.703 1.468 -3.059 1.00 0.34 N ATOM 1192 CA TYR A 75 8.607 0.602 -1.904 1.00 0.37 C ATOM 1193 C TYR A 75 7.160 0.549 -1.389 1.00 0.34 C ATOM 1194 O TYR A 75 6.726 -0.447 -0.814 1.00 0.34 O ATOM 1195 CB TYR A 75 9.546 1.073 -0.796 1.00 0.43 C ATOM 1196 CG TYR A 75 9.875 -0.047 0.166 1.00 0.86 C ATOM 1197 CD1 TYR A 75 9.031 -0.350 1.220 1.00 1.72 C ATOM 1198 CD2 TYR A 75 11.011 -0.825 -0.006 1.00 1.50 C ATOM 1199 CE1 TYR A 75 9.301 -1.396 2.074 1.00 2.09 C ATOM 1200 CE2 TYR A 75 11.293 -1.869 0.849 1.00 1.86 C ATOM 1201 CZ TYR A 75 10.432 -2.152 1.886 1.00 1.84 C ATOM 1202 OH TYR A 75 10.697 -3.202 2.733 1.00 2.33 O ATOM 0 H TYR A 75 9.010 2.418 -2.852 1.00 0.34 H new ATOM 0 HA TYR A 75 8.906 -0.402 -2.206 1.00 0.37 H new ATOM 0 HB2 TYR A 75 10.466 1.458 -1.236 1.00 0.43 H new ATOM 0 HB3 TYR A 75 9.084 1.897 -0.252 1.00 0.43 H new ATOM 0 HD1 TYR A 75 8.143 0.245 1.376 1.00 1.72 H new ATOM 0 HD2 TYR A 75 11.685 -0.609 -0.822 1.00 1.50 H new ATOM 0 HE1 TYR A 75 8.627 -1.621 2.887 1.00 2.09 H new ATOM 0 HE2 TYR A 75 12.184 -2.462 0.706 1.00 1.86 H new ATOM 0 HH TYR A 75 9.983 -3.272 3.400 1.00 2.33 H new ATOM 1212 N SER A 76 6.419 1.628 -1.598 1.00 0.35 N ATOM 1213 CA SER A 76 5.004 1.673 -1.252 1.00 0.37 C ATOM 1214 C SER A 76 4.237 0.755 -2.189 1.00 0.36 C ATOM 1215 O SER A 76 3.269 0.102 -1.803 1.00 0.41 O ATOM 1216 CB SER A 76 4.474 3.105 -1.363 1.00 0.41 C ATOM 1217 OG SER A 76 5.234 3.993 -0.561 1.00 1.21 O ATOM 0 H SER A 76 6.777 2.490 -2.009 1.00 0.35 H new ATOM 0 HA SER A 76 4.871 1.339 -0.223 1.00 0.37 H new ATOM 0 HB2 SER A 76 4.508 3.429 -2.403 1.00 0.41 H new ATOM 0 HB3 SER A 76 3.429 3.135 -1.054 1.00 0.41 H new ATOM 0 HG SER A 76 6.161 4.009 -0.879 1.00 1.21 H new ATOM 1223 N VAL A 77 4.718 0.698 -3.422 1.00 0.35 N ATOM 1224 CA VAL A 77 4.197 -0.207 -4.427 1.00 0.36 C ATOM 1225 C VAL A 77 4.492 -1.633 -4.006 1.00 0.33 C ATOM 1226 O VAL A 77 3.703 -2.548 -4.234 1.00 0.33 O ATOM 1227 CB VAL A 77 4.837 0.087 -5.804 1.00 0.40 C ATOM 1228 CG1 VAL A 77 4.577 -1.035 -6.792 1.00 0.43 C ATOM 1229 CG2 VAL A 77 4.322 1.406 -6.356 1.00 0.44 C ATOM 0 H VAL A 77 5.485 1.283 -3.752 1.00 0.35 H new ATOM 0 HA VAL A 77 3.120 -0.067 -4.517 1.00 0.36 H new ATOM 0 HB VAL A 77 5.915 0.159 -5.659 1.00 0.40 H new ATOM 0 HG11 VAL A 77 5.042 -0.793 -7.748 1.00 0.43 H new ATOM 0 HG12 VAL A 77 5.000 -1.963 -6.408 1.00 0.43 H new ATOM 0 HG13 VAL A 77 3.503 -1.156 -6.931 1.00 0.43 H new ATOM 0 HG21 VAL A 77 4.782 1.599 -7.325 1.00 0.44 H new ATOM 0 HG22 VAL A 77 3.239 1.354 -6.472 1.00 0.44 H new ATOM 0 HG23 VAL A 77 4.575 2.212 -5.668 1.00 0.44 H new ATOM 1239 N PHE A 78 5.633 -1.794 -3.365 1.00 0.32 N ATOM 1240 CA PHE A 78 6.024 -3.066 -2.789 1.00 0.29 C ATOM 1241 C PHE A 78 5.025 -3.504 -1.724 1.00 0.27 C ATOM 1242 O PHE A 78 4.433 -4.576 -1.821 1.00 0.28 O ATOM 1243 CB PHE A 78 7.414 -2.945 -2.178 1.00 0.27 C ATOM 1244 CG PHE A 78 7.863 -4.181 -1.456 1.00 0.28 C ATOM 1245 CD1 PHE A 78 7.734 -5.432 -2.037 1.00 1.18 C ATOM 1246 CD2 PHE A 78 8.405 -4.089 -0.189 1.00 1.22 C ATOM 1247 CE1 PHE A 78 8.142 -6.564 -1.366 1.00 1.19 C ATOM 1248 CE2 PHE A 78 8.812 -5.217 0.487 1.00 1.24 C ATOM 1249 CZ PHE A 78 8.683 -6.456 -0.102 1.00 0.37 C ATOM 0 H PHE A 78 6.315 -1.048 -3.229 1.00 0.32 H new ATOM 0 HA PHE A 78 6.038 -3.818 -3.578 1.00 0.29 H new ATOM 0 HB2 PHE A 78 8.130 -2.715 -2.967 1.00 0.27 H new ATOM 0 HB3 PHE A 78 7.425 -2.105 -1.484 1.00 0.27 H new ATOM 0 HD1 PHE A 78 7.309 -5.521 -3.026 1.00 1.18 H new ATOM 0 HD2 PHE A 78 8.511 -3.120 0.277 1.00 1.22 H new ATOM 0 HE1 PHE A 78 8.038 -7.534 -1.829 1.00 1.19 H new ATOM 0 HE2 PHE A 78 9.232 -5.131 1.478 1.00 1.24 H new ATOM 0 HZ PHE A 78 9.005 -7.342 0.426 1.00 0.37 H new ATOM 1259 N LEU A 79 4.835 -2.668 -0.714 1.00 0.27 N ATOM 1260 CA LEU A 79 3.910 -2.983 0.368 1.00 0.26 C ATOM 1261 C LEU A 79 2.501 -3.175 -0.178 1.00 0.31 C ATOM 1262 O LEU A 79 1.748 -4.028 0.296 1.00 0.33 O ATOM 1263 CB LEU A 79 3.936 -1.881 1.429 1.00 0.29 C ATOM 1264 CG LEU A 79 5.322 -1.584 2.006 1.00 0.29 C ATOM 1265 CD1 LEU A 79 5.221 -0.635 3.184 1.00 0.40 C ATOM 1266 CD2 LEU A 79 6.017 -2.868 2.418 1.00 0.30 C ATOM 0 H LEU A 79 5.307 -1.769 -0.620 1.00 0.27 H new ATOM 0 HA LEU A 79 4.225 -3.915 0.837 1.00 0.26 H new ATOM 0 HB2 LEU A 79 3.535 -0.966 0.993 1.00 0.29 H new ATOM 0 HB3 LEU A 79 3.271 -2.164 2.244 1.00 0.29 H new ATOM 0 HG LEU A 79 5.917 -1.104 1.229 1.00 0.29 H new ATOM 0 HD11 LEU A 79 6.218 -0.438 3.579 1.00 0.40 H new ATOM 0 HD12 LEU A 79 4.767 0.301 2.859 1.00 0.40 H new ATOM 0 HD13 LEU A 79 4.605 -1.086 3.962 1.00 0.40 H new ATOM 0 HD21 LEU A 79 7.001 -2.635 2.826 1.00 0.30 H new ATOM 0 HD22 LEU A 79 5.422 -3.377 3.176 1.00 0.30 H new ATOM 0 HD23 LEU A 79 6.129 -3.516 1.549 1.00 0.30 H new ATOM 1278 N SER A 80 2.164 -2.390 -1.194 1.00 0.36 N ATOM 1279 CA SER A 80 0.908 -2.544 -1.903 1.00 0.47 C ATOM 1280 C SER A 80 0.813 -3.940 -2.502 1.00 0.37 C ATOM 1281 O SER A 80 -0.142 -4.668 -2.241 1.00 0.38 O ATOM 1282 CB SER A 80 0.790 -1.494 -3.009 1.00 0.66 C ATOM 1283 OG SER A 80 -0.459 -1.581 -3.675 1.00 0.84 O ATOM 0 H SER A 80 2.752 -1.634 -1.545 1.00 0.36 H new ATOM 0 HA SER A 80 0.090 -2.404 -1.196 1.00 0.47 H new ATOM 0 HB2 SER A 80 0.907 -0.498 -2.581 1.00 0.66 H new ATOM 0 HB3 SER A 80 1.598 -1.629 -3.728 1.00 0.66 H new ATOM 0 HG SER A 80 -0.505 -0.896 -4.375 1.00 0.84 H new ATOM 1289 N SER A 81 1.822 -4.320 -3.288 1.00 0.33 N ATOM 1290 CA SER A 81 1.824 -5.619 -3.940 1.00 0.30 C ATOM 1291 C SER A 81 1.745 -6.736 -2.910 1.00 0.24 C ATOM 1292 O SER A 81 1.061 -7.722 -3.130 1.00 0.26 O ATOM 1293 CB SER A 81 3.049 -5.789 -4.853 1.00 0.37 C ATOM 1294 OG SER A 81 4.269 -5.710 -4.135 1.00 1.22 O ATOM 0 H SER A 81 2.642 -3.746 -3.484 1.00 0.33 H new ATOM 0 HA SER A 81 0.939 -5.677 -4.573 1.00 0.30 H new ATOM 0 HB2 SER A 81 2.990 -6.752 -5.361 1.00 0.37 H new ATOM 0 HB3 SER A 81 3.034 -5.020 -5.625 1.00 0.37 H new ATOM 0 HG SER A 81 4.088 -5.437 -3.211 1.00 1.22 H new ATOM 1300 N ILE A 82 2.414 -6.567 -1.773 1.00 0.23 N ATOM 1301 CA ILE A 82 2.330 -7.550 -0.701 1.00 0.23 C ATOM 1302 C ILE A 82 0.881 -7.762 -0.295 1.00 0.27 C ATOM 1303 O ILE A 82 0.359 -8.880 -0.355 1.00 0.30 O ATOM 1304 CB ILE A 82 3.101 -7.129 0.561 1.00 0.24 C ATOM 1305 CG1 ILE A 82 4.582 -6.887 0.255 1.00 0.21 C ATOM 1306 CG2 ILE A 82 2.933 -8.196 1.632 1.00 0.28 C ATOM 1307 CD1 ILE A 82 5.397 -6.526 1.480 1.00 0.23 C ATOM 0 H ILE A 82 3.014 -5.767 -1.572 1.00 0.23 H new ATOM 0 HA ILE A 82 2.775 -8.462 -1.098 1.00 0.23 H new ATOM 0 HB ILE A 82 2.692 -6.187 0.926 1.00 0.24 H new ATOM 0 HG12 ILE A 82 5.003 -7.783 -0.201 1.00 0.21 H new ATOM 0 HG13 ILE A 82 4.668 -6.086 -0.479 1.00 0.21 H new ATOM 0 HG21 ILE A 82 3.478 -7.901 2.528 1.00 0.28 H new ATOM 0 HG22 ILE A 82 1.875 -8.308 1.871 1.00 0.28 H new ATOM 0 HG23 ILE A 82 3.325 -9.145 1.265 1.00 0.28 H new ATOM 0 HD11 ILE A 82 6.436 -6.368 1.192 1.00 0.23 H new ATOM 0 HD12 ILE A 82 5.001 -5.613 1.924 1.00 0.23 H new ATOM 0 HD13 ILE A 82 5.341 -7.337 2.206 1.00 0.23 H new ATOM 1319 N ALA A 83 0.239 -6.673 0.110 1.00 0.30 N ATOM 1320 CA ALA A 83 -1.130 -6.721 0.586 1.00 0.36 C ATOM 1321 C ALA A 83 -2.071 -7.224 -0.502 1.00 0.37 C ATOM 1322 O ALA A 83 -2.979 -7.991 -0.221 1.00 0.42 O ATOM 1323 CB ALA A 83 -1.562 -5.353 1.102 1.00 0.40 C ATOM 0 H ALA A 83 0.652 -5.741 0.116 1.00 0.30 H new ATOM 0 HA ALA A 83 -1.181 -7.428 1.414 1.00 0.36 H new ATOM 0 HB1 ALA A 83 -2.592 -5.406 1.456 1.00 0.40 H new ATOM 0 HB2 ALA A 83 -0.911 -5.052 1.923 1.00 0.40 H new ATOM 0 HB3 ALA A 83 -1.492 -4.622 0.297 1.00 0.40 H new ATOM 1329 N MET A 84 -1.830 -6.817 -1.747 1.00 0.37 N ATOM 1330 CA MET A 84 -2.651 -7.271 -2.869 1.00 0.43 C ATOM 1331 C MET A 84 -2.487 -8.771 -3.100 1.00 0.34 C ATOM 1332 O MET A 84 -3.467 -9.498 -3.218 1.00 0.37 O ATOM 1333 CB MET A 84 -2.296 -6.525 -4.162 1.00 0.64 C ATOM 1334 CG MET A 84 -2.506 -5.023 -4.086 1.00 0.44 C ATOM 1335 SD MET A 84 -2.416 -4.220 -5.701 1.00 1.00 S ATOM 1336 CE MET A 84 -0.724 -4.562 -6.176 1.00 1.26 C ATOM 0 H MET A 84 -1.078 -6.178 -2.004 1.00 0.37 H new ATOM 0 HA MET A 84 -3.687 -7.057 -2.608 1.00 0.43 H new ATOM 0 HB2 MET A 84 -1.253 -6.724 -4.409 1.00 0.64 H new ATOM 0 HB3 MET A 84 -2.899 -6.925 -4.977 1.00 0.64 H new ATOM 0 HG2 MET A 84 -3.478 -4.819 -3.638 1.00 0.44 H new ATOM 0 HG3 MET A 84 -1.754 -4.589 -3.427 1.00 0.44 H new ATOM 0 HE1 MET A 84 -0.526 -4.125 -7.155 1.00 1.26 H new ATOM 0 HE2 MET A 84 -0.045 -4.129 -5.441 1.00 1.26 H new ATOM 0 HE3 MET A 84 -0.570 -5.640 -6.222 1.00 1.26 H new ATOM 1346 N MET A 85 -1.243 -9.230 -3.150 1.00 0.34 N ATOM 1347 CA MET A 85 -0.953 -10.629 -3.457 1.00 0.35 C ATOM 1348 C MET A 85 -1.452 -11.553 -2.355 1.00 0.35 C ATOM 1349 O MET A 85 -2.075 -12.578 -2.633 1.00 0.42 O ATOM 1350 CB MET A 85 0.547 -10.831 -3.681 1.00 0.39 C ATOM 1351 CG MET A 85 1.096 -9.998 -4.828 1.00 1.36 C ATOM 1352 SD MET A 85 0.367 -10.420 -6.423 1.00 2.66 S ATOM 1353 CE MET A 85 0.961 -12.098 -6.635 1.00 3.35 C ATOM 0 H MET A 85 -0.417 -8.656 -2.982 1.00 0.34 H new ATOM 0 HA MET A 85 -1.482 -10.883 -4.375 1.00 0.35 H new ATOM 0 HB2 MET A 85 1.082 -10.577 -2.766 1.00 0.39 H new ATOM 0 HB3 MET A 85 0.740 -11.885 -3.881 1.00 0.39 H new ATOM 0 HG2 MET A 85 0.916 -8.943 -4.621 1.00 1.36 H new ATOM 0 HG3 MET A 85 2.176 -10.133 -4.882 1.00 1.36 H new ATOM 0 HE1 MET A 85 0.637 -12.479 -7.604 1.00 3.35 H new ATOM 0 HE2 MET A 85 2.050 -12.107 -6.587 1.00 3.35 H new ATOM 0 HE3 MET A 85 0.557 -12.730 -5.844 1.00 3.35 H new ATOM 1363 N SER A 86 -1.194 -11.189 -1.103 1.00 0.33 N ATOM 1364 CA SER A 86 -1.690 -11.971 0.022 1.00 0.39 C ATOM 1365 C SER A 86 -3.218 -11.930 0.056 1.00 0.43 C ATOM 1366 O SER A 86 -3.868 -12.846 0.552 1.00 0.57 O ATOM 1367 CB SER A 86 -1.097 -11.455 1.338 1.00 0.43 C ATOM 1368 OG SER A 86 -1.257 -10.050 1.466 1.00 1.24 O ATOM 0 H SER A 86 -0.650 -10.366 -0.844 1.00 0.33 H new ATOM 0 HA SER A 86 -1.377 -13.007 -0.103 1.00 0.39 H new ATOM 0 HB2 SER A 86 -1.581 -11.955 2.177 1.00 0.43 H new ATOM 0 HB3 SER A 86 -0.038 -11.707 1.384 1.00 0.43 H new ATOM 0 HG SER A 86 -0.613 -9.593 0.886 1.00 1.24 H new ATOM 1374 N ASN A 87 -3.766 -10.868 -0.516 1.00 0.40 N ATOM 1375 CA ASN A 87 -5.204 -10.651 -0.587 1.00 0.51 C ATOM 1376 C ASN A 87 -5.876 -11.569 -1.608 1.00 0.44 C ATOM 1377 O ASN A 87 -6.799 -12.309 -1.269 1.00 0.53 O ATOM 1378 CB ASN A 87 -5.454 -9.198 -0.960 1.00 0.69 C ATOM 1379 CG ASN A 87 -6.850 -8.925 -1.454 1.00 1.43 C ATOM 1380 OD1 ASN A 87 -7.036 -8.106 -2.348 1.00 2.36 O ATOM 1381 ND2 ASN A 87 -7.842 -9.589 -0.879 1.00 1.49 N ATOM 0 H ASN A 87 -3.219 -10.124 -0.949 1.00 0.40 H new ATOM 0 HA ASN A 87 -5.636 -10.883 0.386 1.00 0.51 H new ATOM 0 HB2 ASN A 87 -5.258 -8.571 -0.090 1.00 0.69 H new ATOM 0 HB3 ASN A 87 -4.742 -8.904 -1.731 1.00 0.69 H new ATOM 0 HD21 ASN A 87 -8.804 -9.427 -1.177 1.00 1.49 H new ATOM 0 HD22 ASN A 87 -7.644 -10.262 -0.139 1.00 1.49 H new ATOM 1388 N GLU A 88 -5.446 -11.487 -2.858 1.00 0.37 N ATOM 1389 CA GLU A 88 -6.013 -12.314 -3.917 1.00 0.43 C ATOM 1390 C GLU A 88 -5.946 -13.787 -3.529 1.00 0.52 C ATOM 1391 O GLU A 88 -6.916 -14.532 -3.671 1.00 0.66 O ATOM 1392 CB GLU A 88 -5.253 -12.093 -5.221 1.00 0.48 C ATOM 1393 CG GLU A 88 -4.983 -10.633 -5.532 1.00 0.51 C ATOM 1394 CD GLU A 88 -6.207 -9.884 -5.967 1.00 0.90 C ATOM 1395 OE1 GLU A 88 -7.291 -10.492 -6.079 1.00 1.73 O ATOM 1396 OE2 GLU A 88 -6.096 -8.664 -6.173 1.00 1.49 O ATOM 0 H GLU A 88 -4.706 -10.856 -3.166 1.00 0.37 H new ATOM 0 HA GLU A 88 -7.056 -12.029 -4.058 1.00 0.43 H new ATOM 0 HB2 GLU A 88 -4.304 -12.626 -5.172 1.00 0.48 H new ATOM 0 HB3 GLU A 88 -5.822 -12.530 -6.041 1.00 0.48 H new ATOM 0 HG2 GLU A 88 -4.566 -10.151 -4.648 1.00 0.51 H new ATOM 0 HG3 GLU A 88 -4.228 -10.569 -6.316 1.00 0.51 H new ATOM 1403 N PHE A 89 -4.796 -14.187 -3.009 1.00 0.50 N ATOM 1404 CA PHE A 89 -4.587 -15.560 -2.572 1.00 0.63 C ATOM 1405 C PHE A 89 -5.217 -15.822 -1.203 1.00 0.66 C ATOM 1406 O PHE A 89 -5.288 -16.966 -0.759 1.00 0.79 O ATOM 1407 CB PHE A 89 -3.094 -15.887 -2.556 1.00 0.73 C ATOM 1408 CG PHE A 89 -2.509 -16.023 -3.933 1.00 1.19 C ATOM 1409 CD1 PHE A 89 -2.775 -17.145 -4.700 1.00 1.71 C ATOM 1410 CD2 PHE A 89 -1.706 -15.027 -4.464 1.00 2.16 C ATOM 1411 CE1 PHE A 89 -2.251 -17.273 -5.970 1.00 2.38 C ATOM 1412 CE2 PHE A 89 -1.178 -15.149 -5.736 1.00 2.80 C ATOM 1413 CZ PHE A 89 -1.451 -16.274 -6.489 1.00 2.70 C ATOM 0 H PHE A 89 -3.989 -13.577 -2.879 1.00 0.50 H new ATOM 0 HA PHE A 89 -5.084 -16.218 -3.286 1.00 0.63 H new ATOM 0 HB2 PHE A 89 -2.562 -15.104 -2.017 1.00 0.73 H new ATOM 0 HB3 PHE A 89 -2.937 -16.815 -2.007 1.00 0.73 H new ATOM 0 HD1 PHE A 89 -3.400 -17.929 -4.299 1.00 1.71 H new ATOM 0 HD2 PHE A 89 -1.490 -14.146 -3.878 1.00 2.16 H new ATOM 0 HE1 PHE A 89 -2.466 -18.153 -6.557 1.00 2.38 H new ATOM 0 HE2 PHE A 89 -0.553 -14.366 -6.140 1.00 2.80 H new ATOM 0 HZ PHE A 89 -1.039 -16.372 -7.483 1.00 2.70 H new ATOM 1423 N PHE A 90 -5.662 -14.767 -0.529 1.00 0.60 N ATOM 1424 CA PHE A 90 -6.441 -14.921 0.697 1.00 0.68 C ATOM 1425 C PHE A 90 -7.773 -15.567 0.351 1.00 0.68 C ATOM 1426 O PHE A 90 -8.235 -16.471 1.044 1.00 0.80 O ATOM 1427 CB PHE A 90 -6.661 -13.562 1.374 1.00 0.69 C ATOM 1428 CG PHE A 90 -7.376 -13.631 2.694 1.00 0.85 C ATOM 1429 CD1 PHE A 90 -6.705 -14.028 3.839 1.00 1.46 C ATOM 1430 CD2 PHE A 90 -8.716 -13.292 2.789 1.00 1.53 C ATOM 1431 CE1 PHE A 90 -7.359 -14.087 5.056 1.00 1.59 C ATOM 1432 CE2 PHE A 90 -9.373 -13.348 4.004 1.00 1.64 C ATOM 1433 CZ PHE A 90 -8.694 -13.746 5.138 1.00 1.21 C ATOM 0 H PHE A 90 -5.498 -13.800 -0.808 1.00 0.60 H new ATOM 0 HA PHE A 90 -5.897 -15.555 1.397 1.00 0.68 H new ATOM 0 HB2 PHE A 90 -5.693 -13.084 1.524 1.00 0.69 H new ATOM 0 HB3 PHE A 90 -7.231 -12.923 0.700 1.00 0.69 H new ATOM 0 HD1 PHE A 90 -5.660 -14.294 3.781 1.00 1.46 H new ATOM 0 HD2 PHE A 90 -9.253 -12.981 1.905 1.00 1.53 H new ATOM 0 HE1 PHE A 90 -6.826 -14.400 5.942 1.00 1.59 H new ATOM 0 HE2 PHE A 90 -10.417 -13.080 4.066 1.00 1.64 H new ATOM 0 HZ PHE A 90 -9.206 -13.791 6.088 1.00 1.21 H new ATOM 1443 N GLU A 91 -8.373 -15.100 -0.738 1.00 0.61 N ATOM 1444 CA GLU A 91 -9.560 -15.736 -1.290 1.00 0.72 C ATOM 1445 C GLU A 91 -9.172 -17.065 -1.915 1.00 0.77 C ATOM 1446 O GLU A 91 -9.889 -18.062 -1.817 1.00 0.96 O ATOM 1447 CB GLU A 91 -10.195 -14.853 -2.360 1.00 0.83 C ATOM 1448 CG GLU A 91 -10.557 -13.468 -1.872 1.00 0.92 C ATOM 1449 CD GLU A 91 -11.584 -13.496 -0.760 1.00 1.57 C ATOM 1450 OE1 GLU A 91 -12.792 -13.555 -1.068 1.00 2.23 O ATOM 1451 OE2 GLU A 91 -11.189 -13.466 0.424 1.00 2.25 O ATOM 0 H GLU A 91 -8.055 -14.281 -1.256 1.00 0.61 H new ATOM 0 HA GLU A 91 -10.279 -15.891 -0.485 1.00 0.72 H new ATOM 0 HB2 GLU A 91 -9.506 -14.764 -3.200 1.00 0.83 H new ATOM 0 HB3 GLU A 91 -11.094 -15.342 -2.735 1.00 0.83 H new ATOM 0 HG2 GLU A 91 -9.657 -12.964 -1.519 1.00 0.92 H new ATOM 0 HG3 GLU A 91 -10.944 -12.882 -2.706 1.00 0.92 H new ATOM 1458 N GLY A 92 -8.019 -17.055 -2.559 1.00 0.71 N ATOM 1459 CA GLY A 92 -7.538 -18.213 -3.267 1.00 0.82 C ATOM 1460 C GLY A 92 -7.390 -17.903 -4.735 1.00 0.81 C ATOM 1461 O GLY A 92 -6.486 -18.401 -5.406 1.00 0.92 O ATOM 0 H GLY A 92 -7.398 -16.247 -2.602 1.00 0.71 H new ATOM 0 HA2 GLY A 92 -6.579 -18.527 -2.856 1.00 0.82 H new ATOM 0 HA3 GLY A 92 -8.230 -19.044 -3.132 1.00 0.82 H new ATOM 1465 N PHE A 93 -8.285 -17.050 -5.210 1.00 0.76 N ATOM 1466 CA PHE A 93 -8.284 -16.583 -6.585 1.00 0.78 C ATOM 1467 C PHE A 93 -8.806 -15.156 -6.619 1.00 0.69 C ATOM 1468 O PHE A 93 -9.677 -14.791 -5.822 1.00 0.82 O ATOM 1469 CB PHE A 93 -9.167 -17.471 -7.470 1.00 1.00 C ATOM 1470 CG PHE A 93 -8.606 -18.841 -7.721 1.00 1.68 C ATOM 1471 CD1 PHE A 93 -7.631 -19.035 -8.685 1.00 2.41 C ATOM 1472 CD2 PHE A 93 -9.054 -19.933 -6.995 1.00 2.59 C ATOM 1473 CE1 PHE A 93 -7.113 -20.293 -8.921 1.00 3.46 C ATOM 1474 CE2 PHE A 93 -8.539 -21.191 -7.228 1.00 3.60 C ATOM 1475 CZ PHE A 93 -7.567 -21.372 -8.191 1.00 3.91 C ATOM 0 H PHE A 93 -9.039 -16.660 -4.645 1.00 0.76 H new ATOM 0 HA PHE A 93 -7.265 -16.625 -6.970 1.00 0.78 H new ATOM 0 HB2 PHE A 93 -10.146 -17.572 -7.002 1.00 1.00 H new ATOM 0 HB3 PHE A 93 -9.321 -16.973 -8.427 1.00 1.00 H new ATOM 0 HD1 PHE A 93 -7.272 -18.193 -9.258 1.00 2.41 H new ATOM 0 HD2 PHE A 93 -9.814 -19.798 -6.239 1.00 2.59 H new ATOM 0 HE1 PHE A 93 -6.353 -20.432 -9.676 1.00 3.46 H new ATOM 0 HE2 PHE A 93 -8.896 -22.035 -6.657 1.00 3.60 H new ATOM 0 HZ PHE A 93 -7.162 -22.357 -8.373 1.00 3.91 H new ATOM 1485 N PRO A 94 -8.273 -14.323 -7.518 1.00 0.64 N ATOM 1486 CA PRO A 94 -8.753 -12.956 -7.698 1.00 0.61 C ATOM 1487 C PRO A 94 -10.127 -12.933 -8.364 1.00 0.71 C ATOM 1488 O PRO A 94 -10.261 -12.696 -9.564 1.00 0.90 O ATOM 1489 CB PRO A 94 -7.702 -12.320 -8.593 1.00 0.65 C ATOM 1490 CG PRO A 94 -7.094 -13.455 -9.343 1.00 0.84 C ATOM 1491 CD PRO A 94 -7.153 -14.643 -8.421 1.00 0.83 C ATOM 0 HA PRO A 94 -8.879 -12.429 -6.752 1.00 0.61 H new ATOM 0 HB2 PRO A 94 -8.149 -11.593 -9.271 1.00 0.65 H new ATOM 0 HB3 PRO A 94 -6.953 -11.789 -8.006 1.00 0.65 H new ATOM 0 HG2 PRO A 94 -7.641 -13.650 -10.266 1.00 0.84 H new ATOM 0 HG3 PRO A 94 -6.065 -13.230 -9.624 1.00 0.84 H new ATOM 0 HD2 PRO A 94 -7.331 -15.568 -8.969 1.00 0.83 H new ATOM 0 HD3 PRO A 94 -6.220 -14.772 -7.873 1.00 0.83 H new ATOM 1499 N ASP A 95 -11.137 -13.176 -7.555 1.00 0.71 N ATOM 1500 CA ASP A 95 -12.509 -13.339 -8.032 1.00 0.88 C ATOM 1501 C ASP A 95 -13.361 -12.144 -7.637 1.00 0.84 C ATOM 1502 O ASP A 95 -14.489 -11.977 -8.094 1.00 0.96 O ATOM 1503 CB ASP A 95 -13.108 -14.633 -7.470 1.00 1.12 C ATOM 1504 CG ASP A 95 -14.507 -14.905 -7.982 1.00 1.70 C ATOM 1505 OD1 ASP A 95 -14.656 -15.191 -9.186 1.00 2.16 O ATOM 1506 OD2 ASP A 95 -15.461 -14.849 -7.181 1.00 2.40 O ATOM 0 H ASP A 95 -11.037 -13.268 -6.544 1.00 0.71 H new ATOM 0 HA ASP A 95 -12.494 -13.400 -9.120 1.00 0.88 H new ATOM 0 HB2 ASP A 95 -12.461 -15.471 -7.732 1.00 1.12 H new ATOM 0 HB3 ASP A 95 -13.130 -14.575 -6.382 1.00 1.12 H new ATOM 1511 N LYS A 96 -12.787 -11.301 -6.804 1.00 0.81 N ATOM 1512 CA LYS A 96 -13.432 -10.068 -6.381 1.00 0.86 C ATOM 1513 C LYS A 96 -13.303 -9.040 -7.490 1.00 0.84 C ATOM 1514 O LYS A 96 -13.994 -8.026 -7.519 1.00 0.95 O ATOM 1515 CB LYS A 96 -12.779 -9.561 -5.093 1.00 0.97 C ATOM 1516 CG LYS A 96 -11.261 -9.605 -5.136 1.00 0.94 C ATOM 1517 CD LYS A 96 -10.640 -9.204 -3.813 1.00 0.65 C ATOM 1518 CE LYS A 96 -9.165 -9.538 -3.796 1.00 0.84 C ATOM 1519 NZ LYS A 96 -8.385 -8.577 -4.600 1.00 1.86 N ATOM 0 H LYS A 96 -11.862 -11.448 -6.400 1.00 0.81 H new ATOM 0 HA LYS A 96 -14.489 -10.246 -6.182 1.00 0.86 H new ATOM 0 HB2 LYS A 96 -13.102 -8.536 -4.908 1.00 0.97 H new ATOM 0 HB3 LYS A 96 -13.130 -10.162 -4.254 1.00 0.97 H new ATOM 0 HG2 LYS A 96 -10.935 -10.612 -5.398 1.00 0.94 H new ATOM 0 HG3 LYS A 96 -10.902 -8.939 -5.921 1.00 0.94 H new ATOM 0 HD2 LYS A 96 -10.779 -8.135 -3.649 1.00 0.65 H new ATOM 0 HD3 LYS A 96 -11.145 -9.720 -2.996 1.00 0.65 H new ATOM 0 HE2 LYS A 96 -8.802 -9.534 -2.768 1.00 0.84 H new ATOM 0 HE3 LYS A 96 -9.014 -10.546 -4.184 1.00 0.84 H new ATOM 0 HZ1 LYS A 96 -7.510 -8.331 -4.095 1.00 1.86 H new ATOM 0 HZ2 LYS A 96 -8.147 -9.005 -5.517 1.00 1.86 H new ATOM 0 HZ3 LYS A 96 -8.948 -7.717 -4.755 1.00 1.86 H new ATOM 1663 N SER B 3 8.508 -3.103 13.535 1.00 0.80 N ATOM 1664 CA SER B 3 7.905 -4.204 14.275 1.00 0.78 C ATOM 1665 C SER B 3 6.487 -4.526 13.718 1.00 0.65 C ATOM 1666 O SER B 3 6.205 -4.189 12.575 1.00 0.83 O ATOM 1667 CB SER B 3 7.879 -3.772 15.744 1.00 0.97 C ATOM 1668 OG SER B 3 8.959 -2.893 16.027 1.00 1.18 O ATOM 0 HA SER B 3 8.476 -5.127 14.171 1.00 0.78 H new ATOM 0 HB2 SER B 3 6.933 -3.278 15.966 1.00 0.97 H new ATOM 0 HB3 SER B 3 7.939 -4.650 16.388 1.00 0.97 H new ATOM 0 HG SER B 3 9.248 -2.453 15.200 1.00 1.18 H new ATOM 1674 N PRO B 4 5.604 -5.263 14.438 1.00 0.67 N ATOM 1675 CA PRO B 4 4.216 -5.527 14.009 1.00 0.62 C ATOM 1676 C PRO B 4 3.510 -4.444 13.154 1.00 0.47 C ATOM 1677 O PRO B 4 2.480 -4.739 12.578 1.00 0.50 O ATOM 1678 CB PRO B 4 3.508 -5.695 15.340 1.00 0.79 C ATOM 1679 CG PRO B 4 4.500 -6.424 16.175 1.00 0.97 C ATOM 1680 CD PRO B 4 5.867 -5.966 15.718 1.00 0.88 C ATOM 0 HA PRO B 4 4.196 -6.376 13.326 1.00 0.62 H new ATOM 0 HB2 PRO B 4 3.245 -4.732 15.779 1.00 0.79 H new ATOM 0 HB3 PRO B 4 2.582 -6.260 15.233 1.00 0.79 H new ATOM 0 HG2 PRO B 4 4.352 -6.206 17.233 1.00 0.97 H new ATOM 0 HG3 PRO B 4 4.392 -7.502 16.054 1.00 0.97 H new ATOM 0 HD2 PRO B 4 6.330 -5.303 16.449 1.00 0.88 H new ATOM 0 HD3 PRO B 4 6.544 -6.809 15.578 1.00 0.88 H new ATOM 1688 N LEU B 5 4.027 -3.208 13.074 1.00 0.36 N ATOM 1689 CA LEU B 5 3.395 -2.159 12.261 1.00 0.32 C ATOM 1690 C LEU B 5 3.295 -2.554 10.800 1.00 0.30 C ATOM 1691 O LEU B 5 2.246 -2.400 10.186 1.00 0.32 O ATOM 1692 CB LEU B 5 4.157 -0.840 12.346 1.00 0.32 C ATOM 1693 CG LEU B 5 3.797 0.189 11.259 1.00 0.30 C ATOM 1694 CD1 LEU B 5 3.612 1.558 11.885 1.00 0.41 C ATOM 1695 CD2 LEU B 5 4.872 0.261 10.183 1.00 0.27 C ATOM 0 H LEU B 5 4.875 -2.913 13.559 1.00 0.36 H new ATOM 0 HA LEU B 5 2.394 -2.032 12.672 1.00 0.32 H new ATOM 0 HB2 LEU B 5 3.973 -0.394 13.323 1.00 0.32 H new ATOM 0 HB3 LEU B 5 5.225 -1.050 12.287 1.00 0.32 H new ATOM 0 HG LEU B 5 2.867 -0.131 10.790 1.00 0.30 H new ATOM 0 HD11 LEU B 5 3.357 2.281 11.110 1.00 0.41 H new ATOM 0 HD12 LEU B 5 2.809 1.516 12.620 1.00 0.41 H new ATOM 0 HD13 LEU B 5 4.537 1.862 12.375 1.00 0.41 H new ATOM 0 HD21 LEU B 5 4.586 0.997 9.432 1.00 0.27 H new ATOM 0 HD22 LEU B 5 5.820 0.553 10.635 1.00 0.27 H new ATOM 0 HD23 LEU B 5 4.981 -0.716 9.711 1.00 0.27 H new ATOM 1707 N GLU B 6 4.384 -3.036 10.229 1.00 0.35 N ATOM 1708 CA GLU B 6 4.368 -3.394 8.828 1.00 0.42 C ATOM 1709 C GLU B 6 3.439 -4.600 8.629 1.00 0.34 C ATOM 1710 O GLU B 6 2.665 -4.706 7.663 1.00 0.32 O ATOM 1711 CB GLU B 6 5.772 -3.685 8.332 1.00 0.62 C ATOM 1712 CG GLU B 6 6.188 -2.856 7.118 1.00 1.80 C ATOM 1713 CD GLU B 6 6.156 -1.358 7.370 1.00 2.84 C ATOM 1714 OE1 GLU B 6 5.062 -0.773 7.319 1.00 3.32 O ATOM 1715 OE2 GLU B 6 7.228 -0.764 7.609 1.00 3.61 O ATOM 0 H GLU B 6 5.274 -3.186 10.705 1.00 0.35 H new ATOM 0 HA GLU B 6 3.988 -2.558 8.241 1.00 0.42 H new ATOM 0 HB2 GLU B 6 6.477 -3.502 9.143 1.00 0.62 H new ATOM 0 HB3 GLU B 6 5.845 -4.743 8.079 1.00 0.62 H new ATOM 0 HG2 GLU B 6 7.195 -3.145 6.818 1.00 1.80 H new ATOM 0 HG3 GLU B 6 5.527 -3.091 6.283 1.00 1.80 H new ATOM 1722 N LYS B 7 3.485 -5.502 9.593 1.00 0.35 N ATOM 1723 CA LYS B 7 2.561 -6.619 9.635 1.00 0.36 C ATOM 1724 C LYS B 7 1.145 -6.114 9.924 1.00 0.32 C ATOM 1725 O LYS B 7 0.161 -6.808 9.694 1.00 0.35 O ATOM 1726 CB LYS B 7 3.016 -7.661 10.665 1.00 0.44 C ATOM 1727 CG LYS B 7 4.430 -8.191 10.423 1.00 0.64 C ATOM 1728 CD LYS B 7 4.505 -9.242 9.309 1.00 0.80 C ATOM 1729 CE LYS B 7 4.184 -8.673 7.932 1.00 1.78 C ATOM 1730 NZ LYS B 7 2.776 -8.948 7.531 1.00 2.82 N ATOM 0 H LYS B 7 4.156 -5.481 10.361 1.00 0.35 H new ATOM 0 HA LYS B 7 2.551 -7.111 8.663 1.00 0.36 H new ATOM 0 HB2 LYS B 7 2.969 -7.219 11.660 1.00 0.44 H new ATOM 0 HB3 LYS B 7 2.318 -8.498 10.654 1.00 0.44 H new ATOM 0 HG2 LYS B 7 5.084 -7.357 10.170 1.00 0.64 H new ATOM 0 HG3 LYS B 7 4.810 -8.625 11.348 1.00 0.64 H new ATOM 0 HD2 LYS B 7 5.505 -9.676 9.293 1.00 0.80 H new ATOM 0 HD3 LYS B 7 3.810 -10.051 9.533 1.00 0.80 H new ATOM 0 HE2 LYS B 7 4.357 -7.597 7.935 1.00 1.78 H new ATOM 0 HE3 LYS B 7 4.862 -9.103 7.195 1.00 1.78 H new ATOM 0 HZ1 LYS B 7 2.448 -8.204 6.883 1.00 2.82 H new ATOM 0 HZ2 LYS B 7 2.725 -9.870 7.053 1.00 2.82 H new ATOM 0 HZ3 LYS B 7 2.171 -8.962 8.377 1.00 2.82 H new ATOM 1744 N ALA B 8 1.061 -4.903 10.453 1.00 0.29 N ATOM 1745 CA ALA B 8 -0.211 -4.249 10.706 1.00 0.29 C ATOM 1746 C ALA B 8 -0.788 -3.663 9.427 1.00 0.27 C ATOM 1747 O ALA B 8 -1.992 -3.460 9.337 1.00 0.28 O ATOM 1748 CB ALA B 8 -0.082 -3.179 11.775 1.00 0.32 C ATOM 0 H ALA B 8 1.874 -4.347 10.719 1.00 0.29 H new ATOM 0 HA ALA B 8 -0.901 -5.008 11.075 1.00 0.29 H new ATOM 0 HB1 ALA B 8 -1.052 -2.710 11.939 1.00 0.32 H new ATOM 0 HB2 ALA B 8 0.264 -3.633 12.704 1.00 0.32 H new ATOM 0 HB3 ALA B 8 0.635 -2.425 11.450 1.00 0.32 H new ATOM 1754 N LEU B 9 0.056 -3.362 8.438 1.00 0.25 N ATOM 1755 CA LEU B 9 -0.478 -3.069 7.103 1.00 0.25 C ATOM 1756 C LEU B 9 -1.160 -4.330 6.596 1.00 0.25 C ATOM 1757 O LEU B 9 -2.147 -4.291 5.872 1.00 0.26 O ATOM 1758 CB LEU B 9 0.589 -2.664 6.085 1.00 0.26 C ATOM 1759 CG LEU B 9 1.890 -2.113 6.641 1.00 0.25 C ATOM 1760 CD1 LEU B 9 2.886 -1.928 5.514 1.00 0.33 C ATOM 1761 CD2 LEU B 9 1.674 -0.805 7.386 1.00 0.27 C ATOM 0 H LEU B 9 1.071 -3.315 8.526 1.00 0.25 H new ATOM 0 HA LEU B 9 -1.157 -2.222 7.202 1.00 0.25 H new ATOM 0 HB2 LEU B 9 0.823 -3.535 5.473 1.00 0.26 H new ATOM 0 HB3 LEU B 9 0.158 -1.914 5.421 1.00 0.26 H new ATOM 0 HG LEU B 9 2.286 -2.831 7.360 1.00 0.25 H new ATOM 0 HD11 LEU B 9 3.819 -1.532 5.915 1.00 0.33 H new ATOM 0 HD12 LEU B 9 3.075 -2.888 5.034 1.00 0.33 H new ATOM 0 HD13 LEU B 9 2.481 -1.230 4.781 1.00 0.33 H new ATOM 0 HD21 LEU B 9 2.628 -0.443 7.769 1.00 0.27 H new ATOM 0 HD22 LEU B 9 1.251 -0.065 6.707 1.00 0.27 H new ATOM 0 HD23 LEU B 9 0.988 -0.969 8.217 1.00 0.27 H new ATOM 1773 N ASP B 10 -0.618 -5.467 6.981 1.00 0.27 N ATOM 1774 CA ASP B 10 -1.306 -6.737 6.710 1.00 0.28 C ATOM 1775 C ASP B 10 -2.645 -6.768 7.458 1.00 0.27 C ATOM 1776 O ASP B 10 -3.650 -7.305 6.976 1.00 0.28 O ATOM 1777 CB ASP B 10 -0.444 -7.938 7.098 1.00 0.33 C ATOM 1778 CG ASP B 10 -1.199 -9.253 7.033 1.00 0.37 C ATOM 1779 OD1 ASP B 10 -1.465 -9.742 5.917 1.00 1.18 O ATOM 1780 OD2 ASP B 10 -1.511 -9.812 8.104 1.00 1.15 O ATOM 0 H ASP B 10 0.273 -5.551 7.471 1.00 0.27 H new ATOM 0 HA ASP B 10 -1.490 -6.804 5.638 1.00 0.28 H new ATOM 0 HB2 ASP B 10 0.420 -7.988 6.435 1.00 0.33 H new ATOM 0 HB3 ASP B 10 -0.063 -7.794 8.109 1.00 0.33 H new ATOM 1785 N VAL B 11 -2.661 -6.153 8.634 1.00 0.27 N ATOM 1786 CA VAL B 11 -3.887 -5.984 9.394 1.00 0.27 C ATOM 1787 C VAL B 11 -4.823 -4.996 8.688 1.00 0.27 C ATOM 1788 O VAL B 11 -6.028 -5.021 8.896 1.00 0.28 O ATOM 1789 CB VAL B 11 -3.584 -5.513 10.836 1.00 0.28 C ATOM 1790 CG1 VAL B 11 -4.860 -5.203 11.594 1.00 0.30 C ATOM 1791 CG2 VAL B 11 -2.774 -6.566 11.576 1.00 0.31 C ATOM 0 H VAL B 11 -1.832 -5.762 9.082 1.00 0.27 H new ATOM 0 HA VAL B 11 -4.386 -6.951 9.454 1.00 0.27 H new ATOM 0 HB VAL B 11 -2.999 -4.595 10.773 1.00 0.28 H new ATOM 0 HG11 VAL B 11 -4.613 -4.875 12.604 1.00 0.30 H new ATOM 0 HG12 VAL B 11 -5.406 -4.413 11.079 1.00 0.30 H new ATOM 0 HG13 VAL B 11 -5.480 -6.098 11.645 1.00 0.30 H new ATOM 0 HG21 VAL B 11 -2.568 -6.221 12.589 1.00 0.31 H new ATOM 0 HG22 VAL B 11 -3.339 -7.497 11.617 1.00 0.31 H new ATOM 0 HG23 VAL B 11 -1.833 -6.736 11.052 1.00 0.31 H new ATOM 1801 N MET B 12 -4.262 -4.136 7.843 1.00 0.26 N ATOM 1802 CA MET B 12 -5.068 -3.243 7.009 1.00 0.29 C ATOM 1803 C MET B 12 -5.839 -4.066 5.975 1.00 0.29 C ATOM 1804 O MET B 12 -6.945 -3.710 5.582 1.00 0.33 O ATOM 1805 CB MET B 12 -4.188 -2.180 6.327 1.00 0.32 C ATOM 1806 CG MET B 12 -3.966 -2.397 4.835 1.00 0.98 C ATOM 1807 SD MET B 12 -2.549 -1.481 4.193 1.00 2.23 S ATOM 1808 CE MET B 12 -2.511 -2.052 2.496 1.00 2.75 C ATOM 0 H MET B 12 -3.255 -4.037 7.716 1.00 0.26 H new ATOM 0 HA MET B 12 -5.781 -2.715 7.642 1.00 0.29 H new ATOM 0 HB2 MET B 12 -4.645 -1.201 6.474 1.00 0.32 H new ATOM 0 HB3 MET B 12 -3.219 -2.157 6.825 1.00 0.32 H new ATOM 0 HG2 MET B 12 -3.820 -3.461 4.646 1.00 0.98 H new ATOM 0 HG3 MET B 12 -4.862 -2.096 4.292 1.00 0.98 H new ATOM 0 HE1 MET B 12 -1.536 -2.490 2.281 1.00 2.75 H new ATOM 0 HE2 MET B 12 -3.287 -2.803 2.347 1.00 2.75 H new ATOM 0 HE3 MET B 12 -2.686 -1.211 1.825 1.00 2.75 H new ATOM 1818 N VAL B 13 -5.256 -5.178 5.540 1.00 0.29 N ATOM 1819 CA VAL B 13 -5.996 -6.136 4.718 1.00 0.31 C ATOM 1820 C VAL B 13 -7.202 -6.640 5.514 1.00 0.27 C ATOM 1821 O VAL B 13 -8.326 -6.766 4.995 1.00 0.27 O ATOM 1822 CB VAL B 13 -5.121 -7.336 4.282 1.00 0.37 C ATOM 1823 CG1 VAL B 13 -5.903 -8.277 3.377 1.00 0.42 C ATOM 1824 CG2 VAL B 13 -3.856 -6.858 3.581 1.00 0.42 C ATOM 0 H VAL B 13 -4.290 -5.438 5.737 1.00 0.29 H new ATOM 0 HA VAL B 13 -6.317 -5.626 3.810 1.00 0.31 H new ATOM 0 HB VAL B 13 -4.832 -7.883 5.180 1.00 0.37 H new ATOM 0 HG11 VAL B 13 -5.267 -9.112 3.084 1.00 0.42 H new ATOM 0 HG12 VAL B 13 -6.775 -8.655 3.911 1.00 0.42 H new ATOM 0 HG13 VAL B 13 -6.228 -7.739 2.487 1.00 0.42 H new ATOM 0 HG21 VAL B 13 -3.257 -7.719 3.284 1.00 0.42 H new ATOM 0 HG22 VAL B 13 -4.126 -6.281 2.696 1.00 0.42 H new ATOM 0 HG23 VAL B 13 -3.278 -6.231 4.260 1.00 0.42 H new ATOM 1834 N SER B 14 -6.966 -6.900 6.793 1.00 0.26 N ATOM 1835 CA SER B 14 -8.038 -7.271 7.704 1.00 0.26 C ATOM 1836 C SER B 14 -9.035 -6.126 7.871 1.00 0.25 C ATOM 1837 O SER B 14 -10.237 -6.367 8.005 1.00 0.25 O ATOM 1838 CB SER B 14 -7.462 -7.690 9.054 1.00 0.31 C ATOM 1839 OG SER B 14 -6.460 -8.680 8.887 1.00 1.18 O ATOM 0 H SER B 14 -6.042 -6.861 7.222 1.00 0.26 H new ATOM 0 HA SER B 14 -8.574 -8.119 7.277 1.00 0.26 H new ATOM 0 HB2 SER B 14 -7.041 -6.821 9.561 1.00 0.31 H new ATOM 0 HB3 SER B 14 -8.258 -8.075 9.691 1.00 0.31 H new ATOM 0 HG SER B 14 -6.102 -8.934 9.763 1.00 1.18 H new ATOM 1845 N THR B 15 -8.530 -4.894 7.848 1.00 0.28 N ATOM 1846 CA THR B 15 -9.370 -3.705 7.821 1.00 0.32 C ATOM 1847 C THR B 15 -10.453 -3.856 6.773 1.00 0.28 C ATOM 1848 O THR B 15 -11.641 -3.613 7.025 1.00 0.29 O ATOM 1849 CB THR B 15 -8.540 -2.436 7.507 1.00 0.45 C ATOM 1850 OG1 THR B 15 -7.664 -2.114 8.595 1.00 0.59 O ATOM 1851 CG2 THR B 15 -9.435 -1.250 7.206 1.00 0.93 C ATOM 0 H THR B 15 -7.530 -4.695 7.848 1.00 0.28 H new ATOM 0 HA THR B 15 -9.818 -3.596 8.808 1.00 0.32 H new ATOM 0 HB THR B 15 -7.942 -2.653 6.622 1.00 0.45 H new ATOM 0 HG1 THR B 15 -7.313 -1.207 8.475 1.00 0.59 H new ATOM 0 HG21 THR B 15 -8.821 -0.376 6.990 1.00 0.93 H new ATOM 0 HG22 THR B 15 -10.061 -1.476 6.343 1.00 0.93 H new ATOM 0 HG23 THR B 15 -10.068 -1.044 8.069 1.00 0.93 H new ATOM 1859 N PHE B 16 -10.040 -4.305 5.608 1.00 0.27 N ATOM 1860 CA PHE B 16 -10.940 -4.372 4.492 1.00 0.27 C ATOM 1861 C PHE B 16 -12.044 -5.398 4.696 1.00 0.29 C ATOM 1862 O PHE B 16 -13.213 -5.047 4.587 1.00 0.37 O ATOM 1863 CB PHE B 16 -10.207 -4.628 3.188 1.00 0.34 C ATOM 1864 CG PHE B 16 -8.955 -3.817 2.991 1.00 0.83 C ATOM 1865 CD1 PHE B 16 -8.866 -2.516 3.457 1.00 1.73 C ATOM 1866 CD2 PHE B 16 -7.866 -4.361 2.328 1.00 1.65 C ATOM 1867 CE1 PHE B 16 -7.716 -1.778 3.269 1.00 2.34 C ATOM 1868 CE2 PHE B 16 -6.716 -3.625 2.135 1.00 2.27 C ATOM 1869 CZ PHE B 16 -6.641 -2.332 2.607 1.00 2.36 C ATOM 0 H PHE B 16 -9.091 -4.626 5.415 1.00 0.27 H new ATOM 0 HA PHE B 16 -11.413 -3.392 4.427 1.00 0.27 H new ATOM 0 HB2 PHE B 16 -9.948 -5.686 3.136 1.00 0.34 H new ATOM 0 HB3 PHE B 16 -10.887 -4.425 2.361 1.00 0.34 H new ATOM 0 HD1 PHE B 16 -9.706 -2.075 3.973 1.00 1.73 H new ATOM 0 HD2 PHE B 16 -7.919 -5.374 1.958 1.00 1.65 H new ATOM 0 HE1 PHE B 16 -7.658 -0.766 3.641 1.00 2.34 H new ATOM 0 HE2 PHE B 16 -5.876 -4.061 1.615 1.00 2.27 H new ATOM 0 HZ PHE B 16 -5.741 -1.754 2.458 1.00 2.36 H new ATOM 1879 N HIS B 17 -11.710 -6.650 5.013 1.00 0.31 N ATOM 1880 CA HIS B 17 -12.770 -7.662 5.166 1.00 0.40 C ATOM 1881 C HIS B 17 -13.660 -7.350 6.359 1.00 0.36 C ATOM 1882 O HIS B 17 -14.802 -7.803 6.433 1.00 0.42 O ATOM 1883 CB HIS B 17 -12.233 -9.100 5.264 1.00 0.59 C ATOM 1884 CG HIS B 17 -11.394 -9.416 6.471 1.00 0.81 C ATOM 1885 ND1 HIS B 17 -11.915 -9.589 7.738 1.00 1.54 N ATOM 1886 CD2 HIS B 17 -10.063 -9.633 6.584 1.00 1.77 C ATOM 1887 CE1 HIS B 17 -10.941 -9.895 8.573 1.00 2.03 C ATOM 1888 NE2 HIS B 17 -9.809 -9.931 7.900 1.00 2.20 N ATOM 0 H HIS B 17 -10.758 -6.984 5.164 1.00 0.31 H new ATOM 0 HA HIS B 17 -13.363 -7.609 4.253 1.00 0.40 H new ATOM 0 HB2 HIS B 17 -13.081 -9.784 5.248 1.00 0.59 H new ATOM 0 HB3 HIS B 17 -11.641 -9.306 4.372 1.00 0.59 H new ATOM 0 HD2 HIS B 17 -9.336 -9.581 5.787 1.00 1.77 H new ATOM 0 HE1 HIS B 17 -11.053 -10.084 9.630 1.00 2.03 H new ATOM 0 HE2 HIS B 17 -8.892 -10.145 8.293 1.00 2.20 H new ATOM 1897 N LYS B 18 -13.126 -6.571 7.283 1.00 0.34 N ATOM 1898 CA LYS B 18 -13.869 -6.112 8.442 1.00 0.39 C ATOM 1899 C LYS B 18 -15.087 -5.298 8.015 1.00 0.37 C ATOM 1900 O LYS B 18 -16.204 -5.543 8.473 1.00 0.47 O ATOM 1901 CB LYS B 18 -12.938 -5.276 9.312 1.00 0.43 C ATOM 1902 CG LYS B 18 -13.603 -4.561 10.476 1.00 0.54 C ATOM 1903 CD LYS B 18 -12.560 -3.849 11.320 1.00 0.73 C ATOM 1904 CE LYS B 18 -11.802 -2.824 10.495 1.00 0.79 C ATOM 1905 NZ LYS B 18 -10.621 -2.276 11.205 1.00 1.28 N ATOM 0 H LYS B 18 -12.162 -6.238 7.250 1.00 0.34 H new ATOM 0 HA LYS B 18 -14.232 -6.969 9.010 1.00 0.39 H new ATOM 0 HB2 LYS B 18 -12.155 -5.925 9.705 1.00 0.43 H new ATOM 0 HB3 LYS B 18 -12.449 -4.533 8.682 1.00 0.43 H new ATOM 0 HG2 LYS B 18 -14.331 -3.842 10.102 1.00 0.54 H new ATOM 0 HG3 LYS B 18 -14.149 -5.278 11.089 1.00 0.54 H new ATOM 0 HD2 LYS B 18 -13.044 -3.357 12.164 1.00 0.73 H new ATOM 0 HD3 LYS B 18 -11.862 -4.577 11.733 1.00 0.73 H new ATOM 0 HE2 LYS B 18 -11.478 -3.283 9.561 1.00 0.79 H new ATOM 0 HE3 LYS B 18 -12.474 -2.007 10.232 1.00 0.79 H new ATOM 0 HZ1 LYS B 18 -10.518 -1.266 10.979 1.00 1.28 H new ATOM 0 HZ2 LYS B 18 -10.749 -2.390 12.231 1.00 1.28 H new ATOM 0 HZ3 LYS B 18 -9.767 -2.787 10.904 1.00 1.28 H new ATOM 1919 N TYR B 19 -14.874 -4.341 7.121 1.00 0.29 N ATOM 1920 CA TYR B 19 -15.962 -3.483 6.671 1.00 0.29 C ATOM 1921 C TYR B 19 -16.640 -4.005 5.410 1.00 0.33 C ATOM 1922 O TYR B 19 -17.802 -3.698 5.173 1.00 0.44 O ATOM 1923 CB TYR B 19 -15.475 -2.046 6.489 1.00 0.31 C ATOM 1924 CG TYR B 19 -15.388 -1.297 7.799 1.00 0.36 C ATOM 1925 CD1 TYR B 19 -16.534 -0.810 8.408 1.00 1.23 C ATOM 1926 CD2 TYR B 19 -14.175 -1.096 8.438 1.00 1.28 C ATOM 1927 CE1 TYR B 19 -16.478 -0.147 9.617 1.00 1.26 C ATOM 1928 CE2 TYR B 19 -14.110 -0.428 9.647 1.00 1.35 C ATOM 1929 CZ TYR B 19 -15.263 0.042 10.231 1.00 0.62 C ATOM 1930 OH TYR B 19 -15.200 0.692 11.442 1.00 0.79 O ATOM 0 H TYR B 19 -13.968 -4.141 6.697 1.00 0.29 H new ATOM 0 HA TYR B 19 -16.722 -3.494 7.452 1.00 0.29 H new ATOM 0 HB2 TYR B 19 -14.494 -2.055 6.013 1.00 0.31 H new ATOM 0 HB3 TYR B 19 -16.151 -1.519 5.816 1.00 0.31 H new ATOM 0 HD1 TYR B 19 -17.490 -0.952 7.927 1.00 1.23 H new ATOM 0 HD2 TYR B 19 -13.267 -1.466 7.985 1.00 1.28 H new ATOM 0 HE1 TYR B 19 -17.383 0.221 10.078 1.00 1.26 H new ATOM 0 HE2 TYR B 19 -13.157 -0.276 10.131 1.00 1.35 H new ATOM 0 HH TYR B 19 -14.267 0.741 11.739 1.00 0.79 H new ATOM 1940 N SER B 20 -15.938 -4.799 4.610 1.00 0.29 N ATOM 1941 CA SER B 20 -16.548 -5.403 3.428 1.00 0.32 C ATOM 1942 C SER B 20 -17.594 -6.422 3.856 1.00 0.40 C ATOM 1943 O SER B 20 -18.666 -6.525 3.264 1.00 0.60 O ATOM 1944 CB SER B 20 -15.493 -6.083 2.547 1.00 0.35 C ATOM 1945 OG SER B 20 -14.441 -5.195 2.214 1.00 0.86 O ATOM 0 H SER B 20 -14.957 -5.039 4.754 1.00 0.29 H new ATOM 0 HA SER B 20 -17.021 -4.612 2.845 1.00 0.32 H new ATOM 0 HB2 SER B 20 -15.087 -6.950 3.068 1.00 0.35 H new ATOM 0 HB3 SER B 20 -15.962 -6.451 1.634 1.00 0.35 H new ATOM 0 HG SER B 20 -13.885 -5.035 3.005 1.00 0.86 H new ATOM 1951 N GLY B 21 -17.291 -7.137 4.933 1.00 0.37 N ATOM 1952 CA GLY B 21 -18.166 -8.187 5.407 1.00 0.43 C ATOM 1953 C GLY B 21 -19.350 -7.672 6.201 1.00 0.41 C ATOM 1954 O GLY B 21 -19.809 -8.336 7.131 1.00 0.46 O ATOM 0 H GLY B 21 -16.446 -7.005 5.489 1.00 0.37 H new ATOM 0 HA2 GLY B 21 -18.531 -8.758 4.554 1.00 0.43 H new ATOM 0 HA3 GLY B 21 -17.593 -8.875 6.029 1.00 0.43 H new ATOM 1958 N LYS B 22 -19.842 -6.492 5.856 1.00 0.41 N ATOM 1959 CA LYS B 22 -21.004 -5.952 6.541 1.00 0.46 C ATOM 1960 C LYS B 22 -22.241 -6.083 5.669 1.00 0.52 C ATOM 1961 O LYS B 22 -23.321 -6.433 6.149 1.00 0.65 O ATOM 1962 CB LYS B 22 -20.797 -4.493 6.923 1.00 0.47 C ATOM 1963 CG LYS B 22 -19.547 -4.238 7.744 1.00 0.60 C ATOM 1964 CD LYS B 22 -19.526 -2.835 8.345 1.00 0.57 C ATOM 1965 CE LYS B 22 -19.748 -1.735 7.308 1.00 0.49 C ATOM 1966 NZ LYS B 22 -21.188 -1.467 7.064 1.00 1.08 N ATOM 0 H LYS B 22 -19.462 -5.899 5.118 1.00 0.41 H new ATOM 0 HA LYS B 22 -21.144 -6.528 7.456 1.00 0.46 H new ATOM 0 HB2 LYS B 22 -20.750 -3.894 6.014 1.00 0.47 H new ATOM 0 HB3 LYS B 22 -21.665 -4.150 7.486 1.00 0.47 H new ATOM 0 HG2 LYS B 22 -19.484 -4.975 8.545 1.00 0.60 H new ATOM 0 HG3 LYS B 22 -18.667 -4.375 7.115 1.00 0.60 H new ATOM 0 HD2 LYS B 22 -20.297 -2.763 9.112 1.00 0.57 H new ATOM 0 HD3 LYS B 22 -18.568 -2.672 8.839 1.00 0.57 H new ATOM 0 HE2 LYS B 22 -19.263 -0.819 7.645 1.00 0.49 H new ATOM 0 HE3 LYS B 22 -19.271 -2.022 6.371 1.00 0.49 H new ATOM 0 HZ1 LYS B 22 -21.431 -1.738 6.090 1.00 1.08 H new ATOM 0 HZ2 LYS B 22 -21.762 -2.021 7.731 1.00 1.08 H new ATOM 0 HZ3 LYS B 22 -21.380 -0.454 7.200 1.00 1.08 H new ATOM 1980 N GLU B 23 -22.071 -5.807 4.385 1.00 0.47 N ATOM 1981 CA GLU B 23 -23.163 -5.853 3.429 1.00 0.54 C ATOM 1982 C GLU B 23 -22.573 -5.892 2.022 1.00 0.58 C ATOM 1983 O GLU B 23 -21.421 -5.506 1.823 1.00 0.64 O ATOM 1984 CB GLU B 23 -24.064 -4.623 3.607 1.00 0.67 C ATOM 1985 CG GLU B 23 -25.553 -4.882 3.394 1.00 1.15 C ATOM 1986 CD GLU B 23 -25.905 -5.290 1.979 1.00 1.60 C ATOM 1987 OE1 GLU B 23 -26.088 -4.399 1.125 1.00 1.96 O ATOM 1988 OE2 GLU B 23 -25.998 -6.507 1.714 1.00 2.38 O ATOM 0 H GLU B 23 -21.173 -5.545 3.978 1.00 0.47 H new ATOM 0 HA GLU B 23 -23.771 -6.743 3.592 1.00 0.54 H new ATOM 0 HB2 GLU B 23 -23.919 -4.227 4.612 1.00 0.67 H new ATOM 0 HB3 GLU B 23 -23.741 -3.850 2.910 1.00 0.67 H new ATOM 0 HG2 GLU B 23 -25.878 -5.665 4.080 1.00 1.15 H new ATOM 0 HG3 GLU B 23 -26.110 -3.981 3.652 1.00 1.15 H new ATOM 1995 N GLY B 24 -23.348 -6.365 1.060 1.00 0.72 N ATOM 1996 CA GLY B 24 -22.863 -6.470 -0.298 1.00 0.85 C ATOM 1997 C GLY B 24 -22.072 -7.738 -0.503 1.00 0.79 C ATOM 1998 O GLY B 24 -22.641 -8.824 -0.635 1.00 0.92 O ATOM 0 H GLY B 24 -24.309 -6.679 1.197 1.00 0.72 H new ATOM 0 HA2 GLY B 24 -23.705 -6.449 -0.990 1.00 0.85 H new ATOM 0 HA3 GLY B 24 -22.238 -5.608 -0.531 1.00 0.85 H new ATOM 2002 N ASP B 25 -20.759 -7.610 -0.496 1.00 0.71 N ATOM 2003 CA ASP B 25 -19.882 -8.758 -0.623 1.00 0.70 C ATOM 2004 C ASP B 25 -18.763 -8.674 0.395 1.00 0.73 C ATOM 2005 O ASP B 25 -18.282 -7.596 0.715 1.00 1.34 O ATOM 2006 CB ASP B 25 -19.306 -8.864 -2.039 1.00 0.72 C ATOM 2007 CG ASP B 25 -20.224 -9.623 -2.977 1.00 1.04 C ATOM 2008 OD1 ASP B 25 -20.312 -10.865 -2.852 1.00 1.64 O ATOM 2009 OD2 ASP B 25 -20.858 -8.990 -3.845 1.00 1.75 O ATOM 0 H ASP B 25 -20.274 -6.717 -0.403 1.00 0.71 H new ATOM 0 HA ASP B 25 -20.470 -9.656 -0.433 1.00 0.70 H new ATOM 0 HB2 ASP B 25 -19.133 -7.863 -2.434 1.00 0.72 H new ATOM 0 HB3 ASP B 25 -18.338 -9.363 -1.999 1.00 0.72 H new ATOM 2014 N LYS B 26 -18.342 -9.831 0.875 1.00 0.61 N ATOM 2015 CA LYS B 26 -17.367 -9.931 1.953 1.00 0.56 C ATOM 2016 C LYS B 26 -15.994 -9.497 1.467 1.00 0.49 C ATOM 2017 O LYS B 26 -15.079 -9.245 2.252 1.00 0.55 O ATOM 2018 CB LYS B 26 -17.324 -11.380 2.458 1.00 0.71 C ATOM 2019 CG LYS B 26 -16.167 -11.683 3.394 1.00 1.03 C ATOM 2020 CD LYS B 26 -16.349 -11.051 4.765 1.00 0.70 C ATOM 2021 CE LYS B 26 -17.456 -11.729 5.554 1.00 0.94 C ATOM 2022 NZ LYS B 26 -17.211 -13.185 5.726 1.00 1.56 N ATOM 0 H LYS B 26 -18.667 -10.733 0.528 1.00 0.61 H new ATOM 0 HA LYS B 26 -17.660 -9.272 2.770 1.00 0.56 H new ATOM 0 HB2 LYS B 26 -18.259 -11.601 2.972 1.00 0.71 H new ATOM 0 HB3 LYS B 26 -17.266 -12.050 1.600 1.00 0.71 H new ATOM 0 HG2 LYS B 26 -16.066 -12.763 3.505 1.00 1.03 H new ATOM 0 HG3 LYS B 26 -15.240 -11.321 2.950 1.00 1.03 H new ATOM 0 HD2 LYS B 26 -15.414 -11.114 5.322 1.00 0.70 H new ATOM 0 HD3 LYS B 26 -16.580 -9.992 4.650 1.00 0.70 H new ATOM 0 HE2 LYS B 26 -17.543 -11.259 6.533 1.00 0.94 H new ATOM 0 HE3 LYS B 26 -18.408 -11.580 5.044 1.00 0.94 H new ATOM 0 HZ1 LYS B 26 -17.788 -13.543 6.514 1.00 1.56 H new ATOM 0 HZ2 LYS B 26 -17.469 -13.686 4.852 1.00 1.56 H new ATOM 0 HZ3 LYS B 26 -16.205 -13.346 5.933 1.00 1.56 H new ATOM 2036 N PHE B 27 -15.877 -9.381 0.164 1.00 0.45 N ATOM 2037 CA PHE B 27 -14.620 -9.064 -0.459 1.00 0.43 C ATOM 2038 C PHE B 27 -14.728 -7.778 -1.254 1.00 0.39 C ATOM 2039 O PHE B 27 -13.828 -7.441 -2.021 1.00 0.40 O ATOM 2040 CB PHE B 27 -14.154 -10.226 -1.347 1.00 0.49 C ATOM 2041 CG PHE B 27 -15.243 -10.835 -2.190 1.00 0.77 C ATOM 2042 CD1 PHE B 27 -15.614 -10.259 -3.392 1.00 1.76 C ATOM 2043 CD2 PHE B 27 -15.887 -11.991 -1.778 1.00 1.28 C ATOM 2044 CE1 PHE B 27 -16.608 -10.823 -4.168 1.00 2.08 C ATOM 2045 CE2 PHE B 27 -16.881 -12.557 -2.549 1.00 1.59 C ATOM 2046 CZ PHE B 27 -17.242 -11.972 -3.745 1.00 1.65 C ATOM 0 H PHE B 27 -16.651 -9.504 -0.489 1.00 0.45 H new ATOM 0 HA PHE B 27 -13.873 -8.914 0.321 1.00 0.43 H new ATOM 0 HB2 PHE B 27 -13.359 -9.871 -2.002 1.00 0.49 H new ATOM 0 HB3 PHE B 27 -13.723 -11.002 -0.714 1.00 0.49 H new ATOM 0 HD1 PHE B 27 -15.121 -9.358 -3.727 1.00 1.76 H new ATOM 0 HD2 PHE B 27 -15.608 -12.454 -0.843 1.00 1.28 H new ATOM 0 HE1 PHE B 27 -16.888 -10.365 -5.105 1.00 2.08 H new ATOM 0 HE2 PHE B 27 -17.376 -13.457 -2.217 1.00 1.59 H new ATOM 0 HZ PHE B 27 -18.020 -12.414 -4.349 1.00 1.65 H new ATOM 2056 N LYS B 28 -15.830 -7.056 -1.068 1.00 0.38 N ATOM 2057 CA LYS B 28 -15.994 -5.773 -1.729 1.00 0.36 C ATOM 2058 C LYS B 28 -16.653 -4.749 -0.823 1.00 0.34 C ATOM 2059 O LYS B 28 -17.541 -5.063 -0.035 1.00 0.37 O ATOM 2060 CB LYS B 28 -16.814 -5.856 -3.014 1.00 0.40 C ATOM 2061 CG LYS B 28 -16.331 -6.853 -4.048 1.00 0.49 C ATOM 2062 CD LYS B 28 -16.943 -6.535 -5.401 1.00 0.56 C ATOM 2063 CE LYS B 28 -16.755 -7.666 -6.393 1.00 0.86 C ATOM 2064 NZ LYS B 28 -17.258 -7.301 -7.744 1.00 1.70 N ATOM 0 H LYS B 28 -16.610 -7.336 -0.473 1.00 0.38 H new ATOM 0 HA LYS B 28 -14.979 -5.462 -1.978 1.00 0.36 H new ATOM 0 HB2 LYS B 28 -17.842 -6.106 -2.750 1.00 0.40 H new ATOM 0 HB3 LYS B 28 -16.834 -4.868 -3.473 1.00 0.40 H new ATOM 0 HG2 LYS B 28 -15.244 -6.822 -4.115 1.00 0.49 H new ATOM 0 HG3 LYS B 28 -16.603 -7.864 -3.745 1.00 0.49 H new ATOM 0 HD2 LYS B 28 -18.007 -6.334 -5.279 1.00 0.56 H new ATOM 0 HD3 LYS B 28 -16.491 -5.626 -5.798 1.00 0.56 H new ATOM 0 HE2 LYS B 28 -15.698 -7.923 -6.455 1.00 0.86 H new ATOM 0 HE3 LYS B 28 -17.279 -8.553 -6.037 1.00 0.86 H new ATOM 0 HZ1 LYS B 28 -17.511 -8.165 -8.265 1.00 1.70 H new ATOM 0 HZ2 LYS B 28 -18.098 -6.695 -7.650 1.00 1.70 H new ATOM 0 HZ3 LYS B 28 -16.517 -6.788 -8.263 1.00 1.70 H new ATOM 2078 N LEU B 29 -16.210 -3.518 -0.961 1.00 0.31 N ATOM 2079 CA LEU B 29 -16.808 -2.403 -0.266 1.00 0.28 C ATOM 2080 C LEU B 29 -17.644 -1.581 -1.221 1.00 0.30 C ATOM 2081 O LEU B 29 -17.124 -0.804 -2.019 1.00 0.33 O ATOM 2082 CB LEU B 29 -15.723 -1.507 0.311 1.00 0.26 C ATOM 2083 CG LEU B 29 -14.793 -2.164 1.314 1.00 0.26 C ATOM 2084 CD1 LEU B 29 -13.473 -1.429 1.338 1.00 0.28 C ATOM 2085 CD2 LEU B 29 -15.424 -2.158 2.694 1.00 0.25 C ATOM 0 H LEU B 29 -15.424 -3.264 -1.559 1.00 0.31 H new ATOM 0 HA LEU B 29 -17.435 -2.796 0.534 1.00 0.28 H new ATOM 0 HB2 LEU B 29 -15.124 -1.117 -0.512 1.00 0.26 H new ATOM 0 HB3 LEU B 29 -16.200 -0.652 0.791 1.00 0.26 H new ATOM 0 HG LEU B 29 -14.619 -3.198 1.018 1.00 0.26 H new ATOM 0 HD11 LEU B 29 -12.806 -1.902 2.059 1.00 0.28 H new ATOM 0 HD12 LEU B 29 -13.019 -1.463 0.347 1.00 0.28 H new ATOM 0 HD13 LEU B 29 -13.640 -0.391 1.625 1.00 0.28 H new ATOM 0 HD21 LEU B 29 -14.748 -2.632 3.405 1.00 0.25 H new ATOM 0 HD22 LEU B 29 -15.613 -1.130 3.003 1.00 0.25 H new ATOM 0 HD23 LEU B 29 -16.365 -2.708 2.666 1.00 0.25 H new ATOM 2097 N ASN B 30 -18.938 -1.717 -1.103 1.00 0.31 N ATOM 2098 CA ASN B 30 -19.865 -0.858 -1.810 1.00 0.35 C ATOM 2099 C ASN B 30 -19.850 0.486 -1.112 1.00 0.32 C ATOM 2100 O ASN B 30 -19.244 0.589 -0.052 1.00 0.30 O ATOM 2101 CB ASN B 30 -21.248 -1.488 -1.777 1.00 0.41 C ATOM 2102 CG ASN B 30 -21.668 -1.787 -0.362 1.00 0.43 C ATOM 2103 OD1 ASN B 30 -22.388 -1.003 0.248 1.00 0.55 O ATOM 2104 ND2 ASN B 30 -21.182 -2.903 0.189 1.00 0.42 N ATOM 0 H ASN B 30 -19.384 -2.423 -0.517 1.00 0.31 H new ATOM 0 HA ASN B 30 -19.585 -0.729 -2.856 1.00 0.35 H new ATOM 0 HB2 ASN B 30 -21.970 -0.815 -2.240 1.00 0.41 H new ATOM 0 HB3 ASN B 30 -21.247 -2.407 -2.363 1.00 0.41 H new ATOM 0 HD21 ASN B 30 -21.406 -3.133 1.157 1.00 0.42 H new ATOM 0 HD22 ASN B 30 -20.587 -3.525 -0.358 1.00 0.42 H new ATOM 2111 N LYS B 31 -20.499 1.501 -1.671 1.00 0.35 N ATOM 2112 CA LYS B 31 -20.404 2.849 -1.106 1.00 0.34 C ATOM 2113 C LYS B 31 -20.630 2.847 0.403 1.00 0.31 C ATOM 2114 O LYS B 31 -19.880 3.472 1.133 1.00 0.30 O ATOM 2115 CB LYS B 31 -21.411 3.808 -1.733 1.00 0.41 C ATOM 2116 CG LYS B 31 -20.985 4.433 -3.050 1.00 0.68 C ATOM 2117 CD LYS B 31 -22.111 5.297 -3.593 1.00 0.71 C ATOM 2118 CE LYS B 31 -21.760 5.936 -4.921 1.00 1.15 C ATOM 2119 NZ LYS B 31 -22.897 6.724 -5.467 1.00 1.99 N ATOM 0 H LYS B 31 -21.088 1.423 -2.500 1.00 0.35 H new ATOM 0 HA LYS B 31 -19.392 3.188 -1.329 1.00 0.34 H new ATOM 0 HB2 LYS B 31 -22.347 3.272 -1.891 1.00 0.41 H new ATOM 0 HB3 LYS B 31 -21.617 4.607 -1.021 1.00 0.41 H new ATOM 0 HG2 LYS B 31 -20.088 5.036 -2.905 1.00 0.68 H new ATOM 0 HG3 LYS B 31 -20.732 3.654 -3.769 1.00 0.68 H new ATOM 0 HD2 LYS B 31 -23.007 4.688 -3.711 1.00 0.71 H new ATOM 0 HD3 LYS B 31 -22.348 6.077 -2.869 1.00 0.71 H new ATOM 0 HE2 LYS B 31 -20.894 6.585 -4.795 1.00 1.15 H new ATOM 0 HE3 LYS B 31 -21.477 5.162 -5.634 1.00 1.15 H new ATOM 0 HZ1 LYS B 31 -22.633 7.119 -6.392 1.00 1.99 H new ATOM 0 HZ2 LYS B 31 -23.726 6.106 -5.578 1.00 1.99 H new ATOM 0 HZ3 LYS B 31 -23.128 7.499 -4.813 1.00 1.99 H new ATOM 2133 N SER B 32 -21.662 2.137 0.854 1.00 0.34 N ATOM 2134 CA SER B 32 -21.990 2.047 2.280 1.00 0.37 C ATOM 2135 C SER B 32 -20.764 1.682 3.097 1.00 0.34 C ATOM 2136 O SER B 32 -20.284 2.443 3.943 1.00 0.37 O ATOM 2137 CB SER B 32 -23.022 0.945 2.486 1.00 0.45 C ATOM 2138 OG SER B 32 -24.039 1.005 1.494 1.00 1.33 O ATOM 0 H SER B 32 -22.292 1.611 0.249 1.00 0.34 H new ATOM 0 HA SER B 32 -22.371 3.016 2.602 1.00 0.37 H new ATOM 0 HB2 SER B 32 -22.532 -0.028 2.451 1.00 0.45 H new ATOM 0 HB3 SER B 32 -23.469 1.041 3.476 1.00 0.45 H new ATOM 0 HG SER B 32 -23.830 0.376 0.772 1.00 1.33 H new ATOM 2144 N GLU B 33 -20.266 0.508 2.788 1.00 0.32 N ATOM 2145 CA GLU B 33 -19.166 -0.103 3.488 1.00 0.34 C ATOM 2146 C GLU B 33 -17.875 0.679 3.257 1.00 0.30 C ATOM 2147 O GLU B 33 -17.077 0.876 4.177 1.00 0.32 O ATOM 2148 CB GLU B 33 -19.046 -1.534 2.979 1.00 0.44 C ATOM 2149 CG GLU B 33 -20.054 -2.510 3.580 1.00 0.59 C ATOM 2150 CD GLU B 33 -21.494 -2.036 3.585 1.00 1.49 C ATOM 2151 OE1 GLU B 33 -22.216 -2.299 2.612 1.00 2.15 O ATOM 2152 OE2 GLU B 33 -21.920 -1.435 4.588 1.00 2.32 O ATOM 0 H GLU B 33 -20.626 -0.062 2.022 1.00 0.32 H new ATOM 0 HA GLU B 33 -19.343 -0.100 4.563 1.00 0.34 H new ATOM 0 HB2 GLU B 33 -19.165 -1.531 1.895 1.00 0.44 H new ATOM 0 HB3 GLU B 33 -18.040 -1.897 3.188 1.00 0.44 H new ATOM 0 HG2 GLU B 33 -20.000 -3.448 3.027 1.00 0.59 H new ATOM 0 HG3 GLU B 33 -19.757 -2.727 4.606 1.00 0.59 H new ATOM 2159 N LEU B 34 -17.698 1.118 2.018 1.00 0.30 N ATOM 2160 CA LEU B 34 -16.579 1.962 1.617 1.00 0.33 C ATOM 2161 C LEU B 34 -16.490 3.201 2.503 1.00 0.29 C ATOM 2162 O LEU B 34 -15.464 3.456 3.130 1.00 0.30 O ATOM 2163 CB LEU B 34 -16.775 2.385 0.158 1.00 0.50 C ATOM 2164 CG LEU B 34 -15.647 3.206 -0.460 1.00 0.50 C ATOM 2165 CD1 LEU B 34 -14.412 2.343 -0.636 1.00 1.01 C ATOM 2166 CD2 LEU B 34 -16.091 3.801 -1.790 1.00 0.54 C ATOM 0 H LEU B 34 -18.335 0.896 1.253 1.00 0.30 H new ATOM 0 HA LEU B 34 -15.652 1.398 1.724 1.00 0.33 H new ATOM 0 HB2 LEU B 34 -16.915 1.487 -0.444 1.00 0.50 H new ATOM 0 HB3 LEU B 34 -17.697 2.962 0.089 1.00 0.50 H new ATOM 0 HG LEU B 34 -15.398 4.028 0.211 1.00 0.50 H new ATOM 0 HD11 LEU B 34 -13.612 2.938 -1.078 1.00 1.01 H new ATOM 0 HD12 LEU B 34 -14.090 1.966 0.335 1.00 1.01 H new ATOM 0 HD13 LEU B 34 -14.645 1.504 -1.292 1.00 1.01 H new ATOM 0 HD21 LEU B 34 -15.275 4.384 -2.218 1.00 0.54 H new ATOM 0 HD22 LEU B 34 -16.362 2.998 -2.475 1.00 0.54 H new ATOM 0 HD23 LEU B 34 -16.954 4.448 -1.629 1.00 0.54 H new ATOM 2178 N LYS B 35 -17.587 3.949 2.550 1.00 0.28 N ATOM 2179 CA LYS B 35 -17.668 5.188 3.316 1.00 0.29 C ATOM 2180 C LYS B 35 -17.235 4.989 4.750 1.00 0.29 C ATOM 2181 O LYS B 35 -16.404 5.738 5.264 1.00 0.31 O ATOM 2182 CB LYS B 35 -19.096 5.729 3.295 1.00 0.32 C ATOM 2183 CG LYS B 35 -19.502 6.257 1.939 1.00 0.39 C ATOM 2184 CD LYS B 35 -21.002 6.483 1.805 1.00 0.51 C ATOM 2185 CE LYS B 35 -21.445 7.808 2.400 1.00 0.70 C ATOM 2186 NZ LYS B 35 -21.569 7.759 3.883 1.00 1.29 N ATOM 0 H LYS B 35 -18.448 3.713 2.057 1.00 0.28 H new ATOM 0 HA LYS B 35 -16.991 5.903 2.848 1.00 0.29 H new ATOM 0 HB2 LYS B 35 -19.784 4.938 3.593 1.00 0.32 H new ATOM 0 HB3 LYS B 35 -19.189 6.526 4.033 1.00 0.32 H new ATOM 0 HG2 LYS B 35 -18.982 7.196 1.752 1.00 0.39 H new ATOM 0 HG3 LYS B 35 -19.177 5.555 1.171 1.00 0.39 H new ATOM 0 HD2 LYS B 35 -21.278 6.451 0.751 1.00 0.51 H new ATOM 0 HD3 LYS B 35 -21.534 5.670 2.299 1.00 0.51 H new ATOM 0 HE2 LYS B 35 -20.729 8.583 2.125 1.00 0.70 H new ATOM 0 HE3 LYS B 35 -22.405 8.093 1.968 1.00 0.70 H new ATOM 0 HZ1 LYS B 35 -22.340 8.387 4.188 1.00 1.29 H new ATOM 0 HZ2 LYS B 35 -21.777 6.785 4.182 1.00 1.29 H new ATOM 0 HZ3 LYS B 35 -20.676 8.071 4.316 1.00 1.29 H new ATOM 2200 N GLU B 36 -17.790 3.979 5.388 1.00 0.29 N ATOM 2201 CA GLU B 36 -17.518 3.746 6.788 1.00 0.32 C ATOM 2202 C GLU B 36 -16.065 3.384 7.001 1.00 0.31 C ATOM 2203 O GLU B 36 -15.434 3.883 7.926 1.00 0.39 O ATOM 2204 CB GLU B 36 -18.429 2.661 7.341 1.00 0.36 C ATOM 2205 CG GLU B 36 -19.888 2.973 7.113 1.00 0.37 C ATOM 2206 CD GLU B 36 -20.817 1.932 7.695 1.00 0.51 C ATOM 2207 OE1 GLU B 36 -21.016 1.924 8.927 1.00 1.14 O ATOM 2208 OE2 GLU B 36 -21.355 1.117 6.926 1.00 1.31 O ATOM 0 H GLU B 36 -18.430 3.310 4.960 1.00 0.29 H new ATOM 0 HA GLU B 36 -17.720 4.670 7.330 1.00 0.32 H new ATOM 0 HB2 GLU B 36 -18.185 1.709 6.870 1.00 0.36 H new ATOM 0 HB3 GLU B 36 -18.246 2.545 8.409 1.00 0.36 H new ATOM 0 HG2 GLU B 36 -20.119 3.943 7.553 1.00 0.37 H new ATOM 0 HG3 GLU B 36 -20.072 3.057 6.042 1.00 0.37 H new ATOM 2215 N LEU B 37 -15.532 2.540 6.133 1.00 0.27 N ATOM 2216 CA LEU B 37 -14.129 2.178 6.206 1.00 0.26 C ATOM 2217 C LEU B 37 -13.278 3.436 6.050 1.00 0.27 C ATOM 2218 O LEU B 37 -12.421 3.713 6.871 1.00 0.31 O ATOM 2219 CB LEU B 37 -13.793 1.135 5.128 1.00 0.24 C ATOM 2220 CG LEU B 37 -12.516 0.323 5.359 1.00 0.31 C ATOM 2221 CD1 LEU B 37 -12.532 -0.935 4.520 1.00 0.29 C ATOM 2222 CD2 LEU B 37 -11.289 1.140 5.012 1.00 0.50 C ATOM 0 H LEU B 37 -16.048 2.095 5.374 1.00 0.27 H new ATOM 0 HA LEU B 37 -13.912 1.730 7.175 1.00 0.26 H new ATOM 0 HB2 LEU B 37 -14.631 0.443 5.046 1.00 0.24 H new ATOM 0 HB3 LEU B 37 -13.707 1.646 4.169 1.00 0.24 H new ATOM 0 HG LEU B 37 -12.477 0.054 6.415 1.00 0.31 H new ATOM 0 HD11 LEU B 37 -11.617 -1.501 4.696 1.00 0.29 H new ATOM 0 HD12 LEU B 37 -13.394 -1.544 4.794 1.00 0.29 H new ATOM 0 HD13 LEU B 37 -12.597 -0.668 3.465 1.00 0.29 H new ATOM 0 HD21 LEU B 37 -10.394 0.543 5.184 1.00 0.50 H new ATOM 0 HD22 LEU B 37 -11.333 1.435 3.964 1.00 0.50 H new ATOM 0 HD23 LEU B 37 -11.256 2.031 5.638 1.00 0.50 H new ATOM 2234 N LEU B 38 -13.554 4.221 5.024 1.00 0.27 N ATOM 2235 CA LEU B 38 -12.825 5.464 4.804 1.00 0.29 C ATOM 2236 C LEU B 38 -12.823 6.344 6.050 1.00 0.30 C ATOM 2237 O LEU B 38 -11.775 6.662 6.596 1.00 0.40 O ATOM 2238 CB LEU B 38 -13.439 6.241 3.645 1.00 0.31 C ATOM 2239 CG LEU B 38 -12.768 6.051 2.287 1.00 0.34 C ATOM 2240 CD1 LEU B 38 -11.286 6.380 2.376 1.00 0.31 C ATOM 2241 CD2 LEU B 38 -12.981 4.642 1.771 1.00 0.43 C ATOM 0 H LEU B 38 -14.275 4.024 4.330 1.00 0.27 H new ATOM 0 HA LEU B 38 -11.795 5.197 4.567 1.00 0.29 H new ATOM 0 HB2 LEU B 38 -14.487 5.954 3.555 1.00 0.31 H new ATOM 0 HB3 LEU B 38 -13.420 7.302 3.893 1.00 0.31 H new ATOM 0 HG LEU B 38 -13.229 6.739 1.578 1.00 0.34 H new ATOM 0 HD11 LEU B 38 -10.823 6.239 1.399 1.00 0.31 H new ATOM 0 HD12 LEU B 38 -11.162 7.416 2.691 1.00 0.31 H new ATOM 0 HD13 LEU B 38 -10.810 5.721 3.102 1.00 0.31 H new ATOM 0 HD21 LEU B 38 -12.494 4.532 0.802 1.00 0.43 H new ATOM 0 HD22 LEU B 38 -12.554 3.928 2.475 1.00 0.43 H new ATOM 0 HD23 LEU B 38 -14.049 4.451 1.664 1.00 0.43 H new ATOM 2253 N THR B 39 -14.009 6.736 6.476 1.00 0.31 N ATOM 2254 CA THR B 39 -14.186 7.598 7.643 1.00 0.33 C ATOM 2255 C THR B 39 -13.535 7.044 8.922 1.00 0.34 C ATOM 2256 O THR B 39 -12.980 7.796 9.722 1.00 0.38 O ATOM 2257 CB THR B 39 -15.684 7.824 7.909 1.00 0.33 C ATOM 2258 OG1 THR B 39 -16.333 6.575 8.188 1.00 0.32 O ATOM 2259 CG2 THR B 39 -16.348 8.464 6.701 1.00 0.34 C ATOM 0 H THR B 39 -14.884 6.468 6.025 1.00 0.31 H new ATOM 0 HA THR B 39 -13.684 8.535 7.403 1.00 0.33 H new ATOM 0 HB THR B 39 -15.778 8.487 8.769 1.00 0.33 H new ATOM 0 HG1 THR B 39 -15.762 5.836 7.890 1.00 0.32 H new ATOM 0 HG21 THR B 39 -17.407 8.617 6.907 1.00 0.34 H new ATOM 0 HG22 THR B 39 -15.877 9.425 6.493 1.00 0.34 H new ATOM 0 HG23 THR B 39 -16.237 7.810 5.836 1.00 0.34 H new ATOM 2267 N ARG B 40 -13.612 5.737 9.105 1.00 0.34 N ATOM 2268 CA ARG B 40 -13.205 5.098 10.359 1.00 0.36 C ATOM 2269 C ARG B 40 -11.766 4.613 10.348 1.00 0.40 C ATOM 2270 O ARG B 40 -11.106 4.621 11.387 1.00 0.48 O ATOM 2271 CB ARG B 40 -14.179 3.963 10.653 1.00 0.37 C ATOM 2272 CG ARG B 40 -15.456 4.459 11.302 1.00 0.63 C ATOM 2273 CD ARG B 40 -16.536 3.402 11.273 1.00 0.56 C ATOM 2274 NE ARG B 40 -17.800 3.891 11.816 1.00 1.16 N ATOM 2275 CZ ARG B 40 -18.984 3.403 11.471 1.00 1.51 C ATOM 2276 NH1 ARG B 40 -19.055 2.389 10.621 1.00 1.62 N ATOM 2277 NH2 ARG B 40 -20.093 3.918 11.983 1.00 2.31 N ATOM 0 H ARG B 40 -13.955 5.087 8.398 1.00 0.34 H new ATOM 0 HA ARG B 40 -13.242 5.843 11.154 1.00 0.36 H new ATOM 0 HB2 ARG B 40 -14.422 3.445 9.725 1.00 0.37 H new ATOM 0 HB3 ARG B 40 -13.700 3.235 11.308 1.00 0.37 H new ATOM 0 HG2 ARG B 40 -15.254 4.746 12.334 1.00 0.63 H new ATOM 0 HG3 ARG B 40 -15.805 5.353 10.785 1.00 0.63 H new ATOM 0 HD2 ARG B 40 -16.688 3.068 10.247 1.00 0.56 H new ATOM 0 HD3 ARG B 40 -16.208 2.534 11.845 1.00 0.56 H new ATOM 0 HE ARG B 40 -17.771 4.649 12.498 1.00 1.16 H new ATOM 0 HH11 ARG B 40 -18.201 1.987 10.235 1.00 1.62 H new ATOM 0 HH12 ARG B 40 -19.964 2.011 10.353 1.00 1.62 H new ATOM 0 HH21 ARG B 40 -20.038 4.692 12.645 1.00 2.31 H new ATOM 0 HH22 ARG B 40 -21.002 3.540 11.715 1.00 2.31 H new ATOM 2291 N GLU B 41 -11.274 4.209 9.199 1.00 0.40 N ATOM 2292 CA GLU B 41 -9.906 3.739 9.099 1.00 0.46 C ATOM 2293 C GLU B 41 -9.001 4.888 8.674 1.00 0.54 C ATOM 2294 O GLU B 41 -7.851 4.976 9.085 1.00 0.85 O ATOM 2295 CB GLU B 41 -9.828 2.593 8.087 1.00 0.52 C ATOM 2296 CG GLU B 41 -10.991 1.603 8.172 1.00 0.53 C ATOM 2297 CD GLU B 41 -11.186 0.975 9.530 1.00 0.51 C ATOM 2298 OE1 GLU B 41 -11.869 1.575 10.379 1.00 1.02 O ATOM 2299 OE2 GLU B 41 -10.669 -0.133 9.763 1.00 1.30 O ATOM 0 H GLU B 41 -11.796 4.195 8.323 1.00 0.40 H new ATOM 0 HA GLU B 41 -9.574 3.371 10.070 1.00 0.46 H new ATOM 0 HB2 GLU B 41 -9.795 3.012 7.081 1.00 0.52 H new ATOM 0 HB3 GLU B 41 -8.893 2.053 8.238 1.00 0.52 H new ATOM 0 HG2 GLU B 41 -11.910 2.117 7.889 1.00 0.53 H new ATOM 0 HG3 GLU B 41 -10.831 0.811 7.440 1.00 0.53 H new ATOM 2306 N LEU B 42 -9.537 5.816 7.900 1.00 0.40 N ATOM 2307 CA LEU B 42 -8.752 6.956 7.440 1.00 0.41 C ATOM 2308 C LEU B 42 -9.447 8.287 7.729 1.00 0.37 C ATOM 2309 O LEU B 42 -9.751 9.049 6.803 1.00 0.35 O ATOM 2310 CB LEU B 42 -8.468 6.822 5.947 1.00 0.44 C ATOM 2311 CG LEU B 42 -7.525 5.680 5.578 1.00 0.50 C ATOM 2312 CD1 LEU B 42 -7.581 5.412 4.090 1.00 0.65 C ATOM 2313 CD2 LEU B 42 -6.102 6.009 6.004 1.00 0.74 C ATOM 0 H LEU B 42 -10.505 5.806 7.577 1.00 0.40 H new ATOM 0 HA LEU B 42 -7.812 6.955 7.992 1.00 0.41 H new ATOM 0 HB2 LEU B 42 -9.413 6.679 5.423 1.00 0.44 H new ATOM 0 HB3 LEU B 42 -8.042 7.758 5.586 1.00 0.44 H new ATOM 0 HG LEU B 42 -7.845 4.781 6.105 1.00 0.50 H new ATOM 0 HD11 LEU B 42 -6.903 4.595 3.842 1.00 0.65 H new ATOM 0 HD12 LEU B 42 -8.598 5.139 3.808 1.00 0.65 H new ATOM 0 HD13 LEU B 42 -7.282 6.309 3.547 1.00 0.65 H new ATOM 0 HD21 LEU B 42 -5.442 5.185 5.734 1.00 0.74 H new ATOM 0 HD22 LEU B 42 -5.772 6.918 5.501 1.00 0.74 H new ATOM 0 HD23 LEU B 42 -6.071 6.160 7.083 1.00 0.74 H new ATOM 2325 N PRO B 43 -9.688 8.600 9.018 1.00 0.40 N ATOM 2326 CA PRO B 43 -10.300 9.868 9.433 1.00 0.43 C ATOM 2327 C PRO B 43 -9.557 11.080 8.906 1.00 0.45 C ATOM 2328 O PRO B 43 -10.150 12.124 8.671 1.00 0.49 O ATOM 2329 CB PRO B 43 -10.181 9.840 10.951 1.00 0.50 C ATOM 2330 CG PRO B 43 -10.165 8.397 11.294 1.00 0.48 C ATOM 2331 CD PRO B 43 -9.413 7.732 10.181 1.00 0.44 C ATOM 0 HA PRO B 43 -11.318 9.954 9.054 1.00 0.43 H new ATOM 0 HB2 PRO B 43 -9.272 10.338 11.287 1.00 0.50 H new ATOM 0 HB3 PRO B 43 -11.019 10.352 11.425 1.00 0.50 H new ATOM 0 HG2 PRO B 43 -9.678 8.227 12.254 1.00 0.48 H new ATOM 0 HG3 PRO B 43 -11.177 8.001 11.376 1.00 0.48 H new ATOM 0 HD2 PRO B 43 -8.346 7.673 10.396 1.00 0.44 H new ATOM 0 HD3 PRO B 43 -9.761 6.713 10.013 1.00 0.44 H new ATOM 2339 N SER B 44 -8.254 10.945 8.752 1.00 0.45 N ATOM 2340 CA SER B 44 -7.435 12.043 8.285 1.00 0.47 C ATOM 2341 C SER B 44 -7.604 12.246 6.780 1.00 0.44 C ATOM 2342 O SER B 44 -7.840 13.375 6.317 1.00 0.45 O ATOM 2343 CB SER B 44 -5.974 11.789 8.633 1.00 0.51 C ATOM 2344 OG SER B 44 -5.168 12.914 8.332 1.00 0.59 O ATOM 0 H SER B 44 -7.741 10.085 8.944 1.00 0.45 H new ATOM 0 HA SER B 44 -7.760 12.956 8.784 1.00 0.47 H new ATOM 0 HB2 SER B 44 -5.887 11.550 9.693 1.00 0.51 H new ATOM 0 HB3 SER B 44 -5.612 10.922 8.080 1.00 0.51 H new ATOM 0 HG SER B 44 -4.236 12.721 8.568 1.00 0.59 H new ATOM 2350 N PHE B 45 -7.530 11.143 6.027 1.00 0.41 N ATOM 2351 CA PHE B 45 -7.547 11.203 4.569 1.00 0.41 C ATOM 2352 C PHE B 45 -8.773 11.951 4.077 1.00 0.41 C ATOM 2353 O PHE B 45 -8.663 12.980 3.409 1.00 0.46 O ATOM 2354 CB PHE B 45 -7.513 9.810 3.943 1.00 0.45 C ATOM 2355 CG PHE B 45 -7.301 9.872 2.457 1.00 1.06 C ATOM 2356 CD1 PHE B 45 -6.036 10.088 1.937 1.00 1.83 C ATOM 2357 CD2 PHE B 45 -8.366 9.737 1.582 1.00 1.81 C ATOM 2358 CE1 PHE B 45 -5.838 10.169 0.573 1.00 2.38 C ATOM 2359 CE2 PHE B 45 -8.173 9.815 0.218 1.00 2.37 C ATOM 2360 CZ PHE B 45 -6.907 10.031 -0.287 1.00 2.40 C ATOM 0 H PHE B 45 -7.458 10.199 6.408 1.00 0.41 H new ATOM 0 HA PHE B 45 -6.648 11.738 4.261 1.00 0.41 H new ATOM 0 HB2 PHE B 45 -6.715 9.225 4.400 1.00 0.45 H new ATOM 0 HB3 PHE B 45 -8.449 9.293 4.156 1.00 0.45 H new ATOM 0 HD1 PHE B 45 -5.195 10.194 2.606 1.00 1.83 H new ATOM 0 HD2 PHE B 45 -9.359 9.569 1.972 1.00 1.81 H new ATOM 0 HE1 PHE B 45 -4.847 10.340 0.180 1.00 2.38 H new ATOM 0 HE2 PHE B 45 -9.012 9.707 -0.454 1.00 2.37 H new ATOM 0 HZ PHE B 45 -6.754 10.092 -1.354 1.00 2.40 H new ATOM 2370 N LEU B 46 -9.941 11.442 4.421 1.00 0.45 N ATOM 2371 CA LEU B 46 -11.176 12.078 4.000 1.00 0.57 C ATOM 2372 C LEU B 46 -11.666 13.083 5.025 1.00 0.65 C ATOM 2373 O LEU B 46 -12.633 13.794 4.783 1.00 0.66 O ATOM 2374 CB LEU B 46 -12.260 11.055 3.711 1.00 0.67 C ATOM 2375 CG LEU B 46 -12.050 10.213 2.457 1.00 0.57 C ATOM 2376 CD1 LEU B 46 -13.304 9.427 2.179 1.00 0.71 C ATOM 2377 CD2 LEU B 46 -11.685 11.082 1.254 1.00 0.54 C ATOM 0 H LEU B 46 -10.061 10.600 4.984 1.00 0.45 H new ATOM 0 HA LEU B 46 -10.954 12.613 3.077 1.00 0.57 H new ATOM 0 HB2 LEU B 46 -12.341 10.386 4.568 1.00 0.67 H new ATOM 0 HB3 LEU B 46 -13.213 11.576 3.622 1.00 0.67 H new ATOM 0 HG LEU B 46 -11.217 9.531 2.627 1.00 0.57 H new ATOM 0 HD11 LEU B 46 -13.163 8.822 1.284 1.00 0.71 H new ATOM 0 HD12 LEU B 46 -13.521 8.777 3.026 1.00 0.71 H new ATOM 0 HD13 LEU B 46 -14.137 10.113 2.026 1.00 0.71 H new ATOM 0 HD21 LEU B 46 -11.543 10.449 0.378 1.00 0.54 H new ATOM 0 HD22 LEU B 46 -12.489 11.793 1.061 1.00 0.54 H new ATOM 0 HD23 LEU B 46 -10.763 11.625 1.463 1.00 0.54 H new ATOM 2389 N GLY B 47 -11.002 13.153 6.169 1.00 0.74 N ATOM 2390 CA GLY B 47 -11.310 14.203 7.120 1.00 0.90 C ATOM 2391 C GLY B 47 -11.114 15.555 6.488 1.00 0.89 C ATOM 2392 O GLY B 47 -11.759 16.538 6.854 1.00 0.99 O ATOM 0 H GLY B 47 -10.264 12.510 6.455 1.00 0.74 H new ATOM 0 HA2 GLY B 47 -12.339 14.101 7.464 1.00 0.90 H new ATOM 0 HA3 GLY B 47 -10.670 14.108 7.997 1.00 0.90 H new ATOM 2396 N LYS B 48 -10.208 15.587 5.526 1.00 0.79 N ATOM 2397 CA LYS B 48 -10.004 16.759 4.695 1.00 0.82 C ATOM 2398 C LYS B 48 -11.103 16.920 3.648 1.00 0.78 C ATOM 2399 O LYS B 48 -11.452 18.038 3.273 1.00 0.87 O ATOM 2400 CB LYS B 48 -8.679 16.643 3.968 1.00 0.81 C ATOM 2401 CG LYS B 48 -7.456 16.704 4.869 1.00 1.08 C ATOM 2402 CD LYS B 48 -7.319 18.053 5.551 1.00 1.51 C ATOM 2403 CE LYS B 48 -6.075 18.108 6.422 1.00 2.27 C ATOM 2404 NZ LYS B 48 -5.867 19.456 7.009 1.00 3.17 N ATOM 0 H LYS B 48 -9.595 14.803 5.300 1.00 0.79 H new ATOM 0 HA LYS B 48 -10.019 17.626 5.355 1.00 0.82 H new ATOM 0 HB2 LYS B 48 -8.662 15.702 3.418 1.00 0.81 H new ATOM 0 HB3 LYS B 48 -8.612 17.444 3.232 1.00 0.81 H new ATOM 0 HG2 LYS B 48 -7.523 15.921 5.624 1.00 1.08 H new ATOM 0 HG3 LYS B 48 -6.561 16.503 4.280 1.00 1.08 H new ATOM 0 HD2 LYS B 48 -7.274 18.840 4.799 1.00 1.51 H new ATOM 0 HD3 LYS B 48 -8.201 18.246 6.161 1.00 1.51 H new ATOM 0 HE2 LYS B 48 -6.160 17.373 7.222 1.00 2.27 H new ATOM 0 HE3 LYS B 48 -5.204 17.833 5.828 1.00 2.27 H new ATOM 0 HZ1 LYS B 48 -5.008 19.450 7.596 1.00 3.17 H new ATOM 0 HZ2 LYS B 48 -5.760 20.154 6.246 1.00 3.17 H new ATOM 0 HZ3 LYS B 48 -6.687 19.709 7.597 1.00 3.17 H new ATOM 2418 N ARG B 49 -11.643 15.805 3.176 1.00 0.73 N ATOM 2419 CA ARG B 49 -12.525 15.822 2.019 1.00 0.81 C ATOM 2420 C ARG B 49 -13.565 14.702 2.091 1.00 0.74 C ATOM 2421 O ARG B 49 -13.408 13.642 1.489 1.00 1.00 O ATOM 2422 CB ARG B 49 -11.673 15.721 0.744 1.00 0.95 C ATOM 2423 CG ARG B 49 -12.433 15.964 -0.549 1.00 1.17 C ATOM 2424 CD ARG B 49 -12.756 14.662 -1.251 1.00 1.01 C ATOM 2425 NE ARG B 49 -11.546 13.929 -1.632 1.00 1.61 N ATOM 2426 CZ ARG B 49 -11.548 12.804 -2.343 1.00 1.86 C ATOM 2427 NH1 ARG B 49 -12.694 12.283 -2.761 1.00 2.13 N ATOM 2428 NH2 ARG B 49 -10.400 12.206 -2.641 1.00 2.50 N ATOM 0 H ARG B 49 -11.486 14.880 3.576 1.00 0.73 H new ATOM 0 HA ARG B 49 -13.082 16.759 2.004 1.00 0.81 H new ATOM 0 HB2 ARG B 49 -10.857 16.441 0.811 1.00 0.95 H new ATOM 0 HB3 ARG B 49 -11.221 14.730 0.703 1.00 0.95 H new ATOM 0 HG2 ARG B 49 -13.356 16.503 -0.335 1.00 1.17 H new ATOM 0 HG3 ARG B 49 -11.840 16.598 -1.208 1.00 1.17 H new ATOM 0 HD2 ARG B 49 -13.366 14.039 -0.597 1.00 1.01 H new ATOM 0 HD3 ARG B 49 -13.351 14.868 -2.141 1.00 1.01 H new ATOM 0 HE ARG B 49 -10.646 14.304 -1.334 1.00 1.61 H new ATOM 0 HH11 ARG B 49 -13.576 12.745 -2.538 1.00 2.13 H new ATOM 0 HH12 ARG B 49 -12.694 11.421 -3.306 1.00 2.13 H new ATOM 0 HH21 ARG B 49 -9.518 12.609 -2.325 1.00 2.50 H new ATOM 0 HH22 ARG B 49 -10.401 11.344 -3.186 1.00 2.50 H new ATOM 2442 N THR B 50 -14.619 14.940 2.855 1.00 0.75 N ATOM 2443 CA THR B 50 -15.741 14.005 2.927 1.00 0.72 C ATOM 2444 C THR B 50 -16.981 14.593 2.272 1.00 0.82 C ATOM 2445 O THR B 50 -17.311 15.763 2.480 1.00 1.33 O ATOM 2446 CB THR B 50 -16.102 13.594 4.373 1.00 0.73 C ATOM 2447 OG1 THR B 50 -15.943 14.703 5.270 1.00 0.83 O ATOM 2448 CG2 THR B 50 -15.260 12.422 4.846 1.00 0.63 C ATOM 0 H THR B 50 -14.725 15.772 3.436 1.00 0.75 H new ATOM 0 HA THR B 50 -15.411 13.114 2.393 1.00 0.72 H new ATOM 0 HB THR B 50 -17.147 13.284 4.372 1.00 0.73 H new ATOM 0 HG1 THR B 50 -16.178 14.424 6.180 1.00 0.83 H new ATOM 0 HG21 THR B 50 -15.541 12.160 5.866 1.00 0.63 H new ATOM 0 HG22 THR B 50 -15.428 11.566 4.192 1.00 0.63 H new ATOM 0 HG23 THR B 50 -14.206 12.697 4.819 1.00 0.63 H new ATOM 2456 N ASP B 51 -17.651 13.774 1.475 1.00 0.57 N ATOM 2457 CA ASP B 51 -18.893 14.158 0.817 1.00 0.61 C ATOM 2458 C ASP B 51 -19.449 12.960 0.068 1.00 0.58 C ATOM 2459 O ASP B 51 -18.681 12.089 -0.339 1.00 0.54 O ATOM 2460 CB ASP B 51 -18.673 15.326 -0.154 1.00 0.68 C ATOM 2461 CG ASP B 51 -19.954 15.778 -0.833 1.00 1.25 C ATOM 2462 OD1 ASP B 51 -20.713 16.568 -0.228 1.00 2.01 O ATOM 2463 OD2 ASP B 51 -20.200 15.360 -1.983 1.00 1.77 O ATOM 0 H ASP B 51 -17.349 12.823 1.265 1.00 0.57 H new ATOM 0 HA ASP B 51 -19.602 14.486 1.577 1.00 0.61 H new ATOM 0 HB2 ASP B 51 -18.239 16.166 0.388 1.00 0.68 H new ATOM 0 HB3 ASP B 51 -17.950 15.029 -0.914 1.00 0.68 H new ATOM 2468 N GLU B 52 -20.758 12.898 -0.097 1.00 0.67 N ATOM 2469 CA GLU B 52 -21.386 11.789 -0.814 1.00 0.71 C ATOM 2470 C GLU B 52 -20.729 11.587 -2.177 1.00 0.66 C ATOM 2471 O GLU B 52 -20.387 10.463 -2.561 1.00 0.63 O ATOM 2472 CB GLU B 52 -22.880 12.044 -0.993 1.00 0.87 C ATOM 2473 CG GLU B 52 -23.619 12.236 0.317 1.00 0.95 C ATOM 2474 CD GLU B 52 -25.095 12.500 0.117 1.00 1.31 C ATOM 2475 OE1 GLU B 52 -25.449 13.614 -0.318 1.00 1.82 O ATOM 2476 OE2 GLU B 52 -25.911 11.593 0.391 1.00 1.90 O ATOM 0 H GLU B 52 -21.411 13.599 0.253 1.00 0.67 H new ATOM 0 HA GLU B 52 -21.250 10.884 -0.221 1.00 0.71 H new ATOM 0 HB2 GLU B 52 -23.018 12.930 -1.613 1.00 0.87 H new ATOM 0 HB3 GLU B 52 -23.322 11.206 -1.532 1.00 0.87 H new ATOM 0 HG2 GLU B 52 -23.493 11.347 0.935 1.00 0.95 H new ATOM 0 HG3 GLU B 52 -23.175 13.069 0.862 1.00 0.95 H new ATOM 2483 N ALA B 53 -20.517 12.689 -2.881 1.00 0.71 N ATOM 2484 CA ALA B 53 -19.902 12.651 -4.197 1.00 0.76 C ATOM 2485 C ALA B 53 -18.439 12.234 -4.098 1.00 0.66 C ATOM 2486 O ALA B 53 -17.909 11.579 -4.994 1.00 0.68 O ATOM 2487 CB ALA B 53 -20.024 14.005 -4.875 1.00 0.91 C ATOM 0 H ALA B 53 -20.764 13.625 -2.559 1.00 0.71 H new ATOM 0 HA ALA B 53 -20.427 11.910 -4.800 1.00 0.76 H new ATOM 0 HB1 ALA B 53 -19.559 13.962 -5.860 1.00 0.91 H new ATOM 0 HB2 ALA B 53 -21.077 14.265 -4.982 1.00 0.91 H new ATOM 0 HB3 ALA B 53 -19.523 14.761 -4.270 1.00 0.91 H new ATOM 2493 N ALA B 54 -17.800 12.597 -2.993 1.00 0.59 N ATOM 2494 CA ALA B 54 -16.402 12.264 -2.774 1.00 0.58 C ATOM 2495 C ALA B 54 -16.210 10.756 -2.753 1.00 0.48 C ATOM 2496 O ALA B 54 -15.245 10.240 -3.307 1.00 0.45 O ATOM 2497 CB ALA B 54 -15.904 12.880 -1.475 1.00 0.64 C ATOM 0 H ALA B 54 -18.231 13.124 -2.233 1.00 0.59 H new ATOM 0 HA ALA B 54 -15.818 12.675 -3.598 1.00 0.58 H new ATOM 0 HB1 ALA B 54 -14.856 12.620 -1.328 1.00 0.64 H new ATOM 0 HB2 ALA B 54 -16.006 13.964 -1.524 1.00 0.64 H new ATOM 0 HB3 ALA B 54 -16.493 12.498 -0.642 1.00 0.64 H new ATOM 2503 N PHE B 55 -17.148 10.056 -2.128 1.00 0.46 N ATOM 2504 CA PHE B 55 -17.100 8.603 -2.061 1.00 0.42 C ATOM 2505 C PHE B 55 -17.445 7.991 -3.412 1.00 0.44 C ATOM 2506 O PHE B 55 -16.905 6.958 -3.784 1.00 0.45 O ATOM 2507 CB PHE B 55 -18.050 8.078 -0.989 1.00 0.43 C ATOM 2508 CG PHE B 55 -17.671 8.489 0.405 1.00 1.06 C ATOM 2509 CD1 PHE B 55 -16.651 7.842 1.079 1.00 1.97 C ATOM 2510 CD2 PHE B 55 -18.346 9.514 1.047 1.00 1.87 C ATOM 2511 CE1 PHE B 55 -16.310 8.211 2.366 1.00 2.77 C ATOM 2512 CE2 PHE B 55 -18.005 9.889 2.333 1.00 2.69 C ATOM 2513 CZ PHE B 55 -16.988 9.236 2.993 1.00 2.95 C ATOM 0 H PHE B 55 -17.952 10.473 -1.660 1.00 0.46 H new ATOM 0 HA PHE B 55 -16.084 8.312 -1.795 1.00 0.42 H new ATOM 0 HB2 PHE B 55 -19.058 8.435 -1.202 1.00 0.43 H new ATOM 0 HB3 PHE B 55 -18.079 6.990 -1.043 1.00 0.43 H new ATOM 0 HD1 PHE B 55 -16.115 7.040 0.594 1.00 1.97 H new ATOM 0 HD2 PHE B 55 -19.148 10.026 0.537 1.00 1.87 H new ATOM 0 HE1 PHE B 55 -15.512 7.697 2.881 1.00 2.77 H new ATOM 0 HE2 PHE B 55 -18.536 10.694 2.820 1.00 2.69 H new ATOM 0 HZ PHE B 55 -16.722 9.525 3.999 1.00 2.95 H new ATOM 2523 N GLN B 56 -18.355 8.633 -4.133 1.00 0.48 N ATOM 2524 CA GLN B 56 -18.690 8.233 -5.496 1.00 0.54 C ATOM 2525 C GLN B 56 -17.449 8.270 -6.384 1.00 0.53 C ATOM 2526 O GLN B 56 -17.145 7.300 -7.082 1.00 0.56 O ATOM 2527 CB GLN B 56 -19.774 9.162 -6.054 1.00 0.62 C ATOM 2528 CG GLN B 56 -20.032 9.017 -7.550 1.00 0.76 C ATOM 2529 CD GLN B 56 -20.556 7.648 -7.938 1.00 0.97 C ATOM 2530 OE1 GLN B 56 -21.759 7.409 -7.930 1.00 1.69 O ATOM 2531 NE2 GLN B 56 -19.658 6.742 -8.291 1.00 0.87 N ATOM 0 H GLN B 56 -18.879 9.440 -3.794 1.00 0.48 H new ATOM 0 HA GLN B 56 -19.069 7.211 -5.483 1.00 0.54 H new ATOM 0 HB2 GLN B 56 -20.705 8.974 -5.519 1.00 0.62 H new ATOM 0 HB3 GLN B 56 -19.490 10.194 -5.847 1.00 0.62 H new ATOM 0 HG2 GLN B 56 -20.750 9.775 -7.863 1.00 0.76 H new ATOM 0 HG3 GLN B 56 -19.106 9.211 -8.092 1.00 0.76 H new ATOM 0 HE21 GLN B 56 -18.666 6.978 -8.285 1.00 0.87 H new ATOM 0 HE22 GLN B 56 -19.958 5.808 -8.569 1.00 0.87 H new ATOM 2540 N LYS B 57 -16.733 9.384 -6.351 1.00 0.51 N ATOM 2541 CA LYS B 57 -15.527 9.525 -7.151 1.00 0.51 C ATOM 2542 C LYS B 57 -14.421 8.620 -6.631 1.00 0.47 C ATOM 2543 O LYS B 57 -13.735 7.971 -7.414 1.00 0.47 O ATOM 2544 CB LYS B 57 -15.055 10.979 -7.193 1.00 0.55 C ATOM 2545 CG LYS B 57 -15.495 11.726 -8.446 1.00 0.76 C ATOM 2546 CD LYS B 57 -17.004 11.877 -8.526 1.00 1.00 C ATOM 2547 CE LYS B 57 -17.511 12.959 -7.584 1.00 0.86 C ATOM 2548 NZ LYS B 57 -16.961 14.297 -7.922 1.00 1.60 N ATOM 0 H LYS B 57 -16.965 10.199 -5.782 1.00 0.51 H new ATOM 0 HA LYS B 57 -15.770 9.220 -8.169 1.00 0.51 H new ATOM 0 HB2 LYS B 57 -15.436 11.502 -6.316 1.00 0.55 H new ATOM 0 HB3 LYS B 57 -13.967 11.001 -7.130 1.00 0.55 H new ATOM 0 HG2 LYS B 57 -15.032 12.713 -8.460 1.00 0.76 H new ATOM 0 HG3 LYS B 57 -15.138 11.194 -9.328 1.00 0.76 H new ATOM 0 HD2 LYS B 57 -17.292 12.121 -9.549 1.00 1.00 H new ATOM 0 HD3 LYS B 57 -17.479 10.927 -8.279 1.00 1.00 H new ATOM 0 HE2 LYS B 57 -18.600 12.994 -7.625 1.00 0.86 H new ATOM 0 HE3 LYS B 57 -17.239 12.704 -6.560 1.00 0.86 H new ATOM 0 HZ1 LYS B 57 -17.581 15.036 -7.533 1.00 1.60 H new ATOM 0 HZ2 LYS B 57 -16.009 14.394 -7.515 1.00 1.60 H new ATOM 0 HZ3 LYS B 57 -16.907 14.399 -8.956 1.00 1.60 H new ATOM 2562 N LEU B 58 -14.261 8.566 -5.310 1.00 0.45 N ATOM 2563 CA LEU B 58 -13.252 7.717 -4.694 1.00 0.43 C ATOM 2564 C LEU B 58 -13.473 6.266 -5.079 1.00 0.42 C ATOM 2565 O LEU B 58 -12.535 5.567 -5.450 1.00 0.41 O ATOM 2566 CB LEU B 58 -13.290 7.852 -3.176 1.00 0.43 C ATOM 2567 CG LEU B 58 -12.104 7.232 -2.447 1.00 0.39 C ATOM 2568 CD1 LEU B 58 -10.806 7.884 -2.895 1.00 0.39 C ATOM 2569 CD2 LEU B 58 -12.283 7.370 -0.949 1.00 0.40 C ATOM 0 H LEU B 58 -14.820 9.103 -4.647 1.00 0.45 H new ATOM 0 HA LEU B 58 -12.275 8.039 -5.055 1.00 0.43 H new ATOM 0 HB2 LEU B 58 -13.342 8.911 -2.921 1.00 0.43 H new ATOM 0 HB3 LEU B 58 -14.206 7.390 -2.808 1.00 0.43 H new ATOM 0 HG LEU B 58 -12.055 6.171 -2.694 1.00 0.39 H new ATOM 0 HD11 LEU B 58 -9.969 7.430 -2.365 1.00 0.39 H new ATOM 0 HD12 LEU B 58 -10.678 7.740 -3.968 1.00 0.39 H new ATOM 0 HD13 LEU B 58 -10.840 8.951 -2.674 1.00 0.39 H new ATOM 0 HD21 LEU B 58 -11.430 6.924 -0.438 1.00 0.40 H new ATOM 0 HD22 LEU B 58 -12.352 8.426 -0.686 1.00 0.40 H new ATOM 0 HD23 LEU B 58 -13.197 6.860 -0.643 1.00 0.40 H new ATOM 2581 N MET B 59 -14.717 5.823 -4.983 1.00 0.45 N ATOM 2582 CA MET B 59 -15.093 4.497 -5.439 1.00 0.48 C ATOM 2583 C MET B 59 -14.622 4.286 -6.862 1.00 0.48 C ATOM 2584 O MET B 59 -13.830 3.400 -7.127 1.00 0.48 O ATOM 2585 CB MET B 59 -16.602 4.306 -5.362 1.00 0.54 C ATOM 2586 CG MET B 59 -17.074 3.109 -6.161 1.00 0.57 C ATOM 2587 SD MET B 59 -18.100 3.599 -7.547 1.00 1.64 S ATOM 2588 CE MET B 59 -19.620 3.986 -6.692 1.00 2.39 C ATOM 0 H MET B 59 -15.486 6.367 -4.591 1.00 0.45 H new ATOM 0 HA MET B 59 -14.617 3.763 -4.788 1.00 0.48 H new ATOM 0 HB2 MET B 59 -16.897 4.183 -4.320 1.00 0.54 H new ATOM 0 HB3 MET B 59 -17.098 5.204 -5.730 1.00 0.54 H new ATOM 0 HG2 MET B 59 -16.211 2.552 -6.526 1.00 0.57 H new ATOM 0 HG3 MET B 59 -17.636 2.437 -5.512 1.00 0.57 H new ATOM 0 HE1 MET B 59 -20.436 4.050 -7.412 1.00 2.39 H new ATOM 0 HE2 MET B 59 -19.838 3.204 -5.965 1.00 2.39 H new ATOM 0 HE3 MET B 59 -19.515 4.941 -6.177 1.00 2.39 H new ATOM 2598 N SER B 60 -15.086 5.139 -7.753 1.00 0.49 N ATOM 2599 CA SER B 60 -14.735 5.061 -9.163 1.00 0.52 C ATOM 2600 C SER B 60 -13.212 5.103 -9.370 1.00 0.51 C ATOM 2601 O SER B 60 -12.699 4.604 -10.375 1.00 0.55 O ATOM 2602 CB SER B 60 -15.432 6.199 -9.916 1.00 0.55 C ATOM 2603 OG SER B 60 -15.080 6.227 -11.286 1.00 1.34 O ATOM 0 H SER B 60 -15.717 5.907 -7.523 1.00 0.49 H new ATOM 0 HA SER B 60 -15.077 4.105 -9.561 1.00 0.52 H new ATOM 0 HB2 SER B 60 -16.512 6.086 -9.822 1.00 0.55 H new ATOM 0 HB3 SER B 60 -15.170 7.151 -9.456 1.00 0.55 H new ATOM 0 HG SER B 60 -15.547 6.966 -11.729 1.00 1.34 H new ATOM 2609 N ASN B 61 -12.496 5.688 -8.415 1.00 0.48 N ATOM 2610 CA ASN B 61 -11.042 5.754 -8.478 1.00 0.50 C ATOM 2611 C ASN B 61 -10.406 4.416 -8.136 1.00 0.49 C ATOM 2612 O ASN B 61 -9.531 3.927 -8.854 1.00 0.56 O ATOM 2613 CB ASN B 61 -10.501 6.818 -7.519 1.00 0.49 C ATOM 2614 CG ASN B 61 -10.775 8.229 -7.987 1.00 0.58 C ATOM 2615 OD1 ASN B 61 -10.856 8.495 -9.186 1.00 0.79 O ATOM 2616 ND2 ASN B 61 -10.918 9.150 -7.045 1.00 0.57 N ATOM 0 H ASN B 61 -12.901 6.124 -7.587 1.00 0.48 H new ATOM 0 HA ASN B 61 -10.783 6.018 -9.503 1.00 0.50 H new ATOM 0 HB2 ASN B 61 -10.948 6.674 -6.536 1.00 0.49 H new ATOM 0 HB3 ASN B 61 -9.426 6.682 -7.403 1.00 0.49 H new ATOM 0 HD21 ASN B 61 -11.102 10.119 -7.303 1.00 0.57 H new ATOM 0 HD22 ASN B 61 -10.844 8.890 -6.062 1.00 0.57 H new ATOM 2623 N LEU B 62 -10.852 3.832 -7.037 1.00 0.44 N ATOM 2624 CA LEU B 62 -10.253 2.614 -6.516 1.00 0.43 C ATOM 2625 C LEU B 62 -10.831 1.422 -7.241 1.00 0.48 C ATOM 2626 O LEU B 62 -10.105 0.578 -7.755 1.00 0.55 O ATOM 2627 CB LEU B 62 -10.542 2.497 -5.024 1.00 0.38 C ATOM 2628 CG LEU B 62 -10.511 3.822 -4.265 1.00 0.34 C ATOM 2629 CD1 LEU B 62 -10.792 3.602 -2.787 1.00 0.31 C ATOM 2630 CD2 LEU B 62 -9.185 4.537 -4.480 1.00 0.35 C ATOM 0 H LEU B 62 -11.633 4.185 -6.484 1.00 0.44 H new ATOM 0 HA LEU B 62 -9.174 2.645 -6.670 1.00 0.43 H new ATOM 0 HB2 LEU B 62 -11.523 2.040 -4.892 1.00 0.38 H new ATOM 0 HB3 LEU B 62 -9.813 1.821 -4.578 1.00 0.38 H new ATOM 0 HG LEU B 62 -11.299 4.463 -4.660 1.00 0.34 H new ATOM 0 HD11 LEU B 62 -10.765 4.559 -2.265 1.00 0.31 H new ATOM 0 HD12 LEU B 62 -11.777 3.151 -2.667 1.00 0.31 H new ATOM 0 HD13 LEU B 62 -10.036 2.939 -2.368 1.00 0.31 H new ATOM 0 HD21 LEU B 62 -9.186 5.478 -3.930 1.00 0.35 H new ATOM 0 HD22 LEU B 62 -8.370 3.908 -4.122 1.00 0.35 H new ATOM 0 HD23 LEU B 62 -9.048 4.738 -5.543 1.00 0.35 H new ATOM 2642 N ASP B 63 -12.152 1.393 -7.268 1.00 0.48 N ATOM 2643 CA ASP B 63 -12.928 0.406 -8.001 1.00 0.53 C ATOM 2644 C ASP B 63 -12.691 0.595 -9.497 1.00 0.57 C ATOM 2645 O ASP B 63 -13.520 1.146 -10.213 1.00 0.62 O ATOM 2646 CB ASP B 63 -14.410 0.606 -7.626 1.00 0.56 C ATOM 2647 CG ASP B 63 -15.404 -0.228 -8.409 1.00 0.67 C ATOM 2648 OD1 ASP B 63 -15.479 -1.450 -8.194 1.00 1.24 O ATOM 2649 OD2 ASP B 63 -16.151 0.355 -9.214 1.00 1.34 O ATOM 0 H ASP B 63 -12.729 2.071 -6.770 1.00 0.48 H new ATOM 0 HA ASP B 63 -12.631 -0.612 -7.747 1.00 0.53 H new ATOM 0 HB2 ASP B 63 -14.531 0.382 -6.566 1.00 0.56 H new ATOM 0 HB3 ASP B 63 -14.661 1.658 -7.760 1.00 0.56 H new ATOM 2654 N SER B 64 -11.526 0.161 -9.958 1.00 0.58 N ATOM 2655 CA SER B 64 -11.137 0.344 -11.344 1.00 0.64 C ATOM 2656 C SER B 64 -11.830 -0.698 -12.201 1.00 0.65 C ATOM 2657 O SER B 64 -11.978 -0.539 -13.414 1.00 0.75 O ATOM 2658 CB SER B 64 -9.614 0.243 -11.490 1.00 0.72 C ATOM 2659 OG SER B 64 -9.191 0.650 -12.782 1.00 1.38 O ATOM 0 H SER B 64 -10.833 -0.322 -9.387 1.00 0.58 H new ATOM 0 HA SER B 64 -11.440 1.337 -11.677 1.00 0.64 H new ATOM 0 HB2 SER B 64 -9.132 0.864 -10.735 1.00 0.72 H new ATOM 0 HB3 SER B 64 -9.297 -0.784 -11.308 1.00 0.72 H new ATOM 0 HG SER B 64 -8.216 0.576 -12.845 1.00 1.38 H new ATOM 2665 N ASN B 65 -12.251 -1.770 -11.550 1.00 0.63 N ATOM 2666 CA ASN B 65 -13.050 -2.798 -12.195 1.00 0.72 C ATOM 2667 C ASN B 65 -14.459 -2.266 -12.472 1.00 0.69 C ATOM 2668 O ASN B 65 -15.204 -2.808 -13.290 1.00 0.77 O ATOM 2669 CB ASN B 65 -13.120 -4.040 -11.306 1.00 0.79 C ATOM 2670 CG ASN B 65 -14.177 -3.889 -10.244 1.00 1.01 C ATOM 2671 OD1 ASN B 65 -15.285 -4.396 -10.388 1.00 1.65 O ATOM 2672 ND2 ASN B 65 -13.847 -3.176 -9.185 1.00 1.16 N ATOM 0 H ASN B 65 -12.050 -1.951 -10.567 1.00 0.63 H new ATOM 0 HA ASN B 65 -12.584 -3.070 -13.142 1.00 0.72 H new ATOM 0 HB2 ASN B 65 -13.337 -4.916 -11.917 1.00 0.79 H new ATOM 0 HB3 ASN B 65 -12.151 -4.210 -10.837 1.00 0.79 H new ATOM 0 HD21 ASN B 65 -14.527 -3.026 -8.439 1.00 1.16 H new ATOM 0 HD22 ASN B 65 -12.912 -2.775 -9.111 1.00 1.16 H new ATOM 2679 N ARG B 66 -14.779 -1.175 -11.763 1.00 0.60 N ATOM 2680 CA ARG B 66 -16.037 -0.452 -11.876 1.00 0.60 C ATOM 2681 C ARG B 66 -17.261 -1.336 -11.711 1.00 0.60 C ATOM 2682 O ARG B 66 -18.153 -1.359 -12.558 1.00 0.69 O ATOM 2683 CB ARG B 66 -16.084 0.318 -13.175 1.00 0.67 C ATOM 2684 CG ARG B 66 -15.005 1.380 -13.263 1.00 0.70 C ATOM 2685 CD ARG B 66 -15.200 2.503 -12.244 1.00 0.70 C ATOM 2686 NE ARG B 66 -14.225 3.574 -12.458 1.00 0.78 N ATOM 2687 CZ ARG B 66 -14.240 4.402 -13.509 1.00 1.20 C ATOM 2688 NH1 ARG B 66 -15.216 4.332 -14.409 1.00 2.23 N ATOM 2689 NH2 ARG B 66 -13.288 5.314 -13.649 1.00 1.15 N ATOM 0 H ARG B 66 -14.145 -0.765 -11.077 1.00 0.60 H new ATOM 0 HA ARG B 66 -16.071 0.251 -11.044 1.00 0.60 H new ATOM 0 HB2 ARG B 66 -15.974 -0.376 -14.008 1.00 0.67 H new ATOM 0 HB3 ARG B 66 -17.061 0.789 -13.279 1.00 0.67 H new ATOM 0 HG2 ARG B 66 -14.031 0.917 -13.106 1.00 0.70 H new ATOM 0 HG3 ARG B 66 -14.998 1.803 -14.267 1.00 0.70 H new ATOM 0 HD2 ARG B 66 -16.211 2.903 -12.326 1.00 0.70 H new ATOM 0 HD3 ARG B 66 -15.095 2.106 -11.234 1.00 0.70 H new ATOM 0 HE ARG B 66 -13.489 3.697 -11.763 1.00 0.78 H new ATOM 0 HH11 ARG B 66 -15.961 3.643 -14.301 1.00 2.23 H new ATOM 0 HH12 ARG B 66 -15.220 4.967 -15.207 1.00 2.23 H new ATOM 0 HH21 ARG B 66 -12.544 5.385 -12.955 1.00 1.15 H new ATOM 0 HH22 ARG B 66 -13.300 5.945 -14.450 1.00 1.15 H new ATOM 2703 N ASP B 67 -17.301 -2.045 -10.601 1.00 0.58 N ATOM 2704 CA ASP B 67 -18.491 -2.784 -10.200 1.00 0.61 C ATOM 2705 C ASP B 67 -19.186 -1.998 -9.101 1.00 0.56 C ATOM 2706 O ASP B 67 -20.250 -2.375 -8.606 1.00 0.57 O ATOM 2707 CB ASP B 67 -18.120 -4.186 -9.714 1.00 0.69 C ATOM 2708 CG ASP B 67 -19.321 -5.087 -9.524 1.00 1.07 C ATOM 2709 OD1 ASP B 67 -20.175 -5.155 -10.435 1.00 1.72 O ATOM 2710 OD2 ASP B 67 -19.400 -5.759 -8.477 1.00 1.63 O ATOM 0 H ASP B 67 -16.518 -2.128 -9.953 1.00 0.58 H new ATOM 0 HA ASP B 67 -19.160 -2.904 -11.052 1.00 0.61 H new ATOM 0 HB2 ASP B 67 -17.440 -4.644 -10.432 1.00 0.69 H new ATOM 0 HB3 ASP B 67 -17.581 -4.106 -8.770 1.00 0.69 H new ATOM 2715 N ASN B 68 -18.540 -0.891 -8.737 1.00 0.53 N ATOM 2716 CA ASN B 68 -19.034 0.056 -7.742 1.00 0.51 C ATOM 2717 C ASN B 68 -18.937 -0.507 -6.342 1.00 0.46 C ATOM 2718 O ASN B 68 -19.679 -0.118 -5.437 1.00 0.47 O ATOM 2719 CB ASN B 68 -20.447 0.539 -8.071 1.00 0.58 C ATOM 2720 CG ASN B 68 -20.455 1.439 -9.294 1.00 0.73 C ATOM 2721 OD1 ASN B 68 -21.477 1.596 -9.963 1.00 1.08 O ATOM 2722 ND2 ASN B 68 -19.300 2.022 -9.601 1.00 0.66 N ATOM 0 H ASN B 68 -17.640 -0.623 -9.135 1.00 0.53 H new ATOM 0 HA ASN B 68 -18.386 0.932 -7.778 1.00 0.51 H new ATOM 0 HB2 ASN B 68 -21.095 -0.320 -8.245 1.00 0.58 H new ATOM 0 HB3 ASN B 68 -20.856 1.079 -7.217 1.00 0.58 H new ATOM 0 HD21 ASN B 68 -19.236 2.628 -10.419 1.00 0.66 H new ATOM 0 HD22 ASN B 68 -18.478 1.864 -9.018 1.00 0.66 H new ATOM 2729 N GLU B 69 -17.995 -1.420 -6.176 1.00 0.46 N ATOM 2730 CA GLU B 69 -17.605 -1.900 -4.869 1.00 0.42 C ATOM 2731 C GLU B 69 -16.108 -2.127 -4.869 1.00 0.40 C ATOM 2732 O GLU B 69 -15.596 -2.944 -5.632 1.00 0.44 O ATOM 2733 CB GLU B 69 -18.310 -3.201 -4.490 1.00 0.46 C ATOM 2734 CG GLU B 69 -19.822 -3.147 -4.575 1.00 0.50 C ATOM 2735 CD GLU B 69 -20.482 -4.397 -4.031 1.00 0.64 C ATOM 2736 OE1 GLU B 69 -20.783 -4.439 -2.820 1.00 1.29 O ATOM 2737 OE2 GLU B 69 -20.716 -5.340 -4.814 1.00 1.31 O ATOM 0 H GLU B 69 -17.481 -1.847 -6.947 1.00 0.46 H new ATOM 0 HA GLU B 69 -17.894 -1.149 -4.134 1.00 0.42 H new ATOM 0 HB2 GLU B 69 -17.951 -3.997 -5.142 1.00 0.46 H new ATOM 0 HB3 GLU B 69 -18.026 -3.470 -3.473 1.00 0.46 H new ATOM 0 HG2 GLU B 69 -20.182 -2.280 -4.021 1.00 0.50 H new ATOM 0 HG3 GLU B 69 -20.119 -3.007 -5.614 1.00 0.50 H new ATOM 2744 N VAL B 70 -15.415 -1.415 -4.008 1.00 0.37 N ATOM 2745 CA VAL B 70 -13.965 -1.496 -3.965 1.00 0.36 C ATOM 2746 C VAL B 70 -13.517 -2.744 -3.231 1.00 0.35 C ATOM 2747 O VAL B 70 -13.802 -2.917 -2.051 1.00 0.36 O ATOM 2748 CB VAL B 70 -13.336 -0.285 -3.267 1.00 0.33 C ATOM 2749 CG1 VAL B 70 -11.854 -0.520 -3.087 1.00 0.33 C ATOM 2750 CG2 VAL B 70 -13.573 0.979 -4.062 1.00 0.36 C ATOM 0 H VAL B 70 -15.827 -0.775 -3.329 1.00 0.37 H new ATOM 0 HA VAL B 70 -13.632 -1.522 -5.003 1.00 0.36 H new ATOM 0 HB VAL B 70 -13.804 -0.161 -2.291 1.00 0.33 H new ATOM 0 HG11 VAL B 70 -11.407 0.341 -2.591 1.00 0.33 H new ATOM 0 HG12 VAL B 70 -11.698 -1.411 -2.479 1.00 0.33 H new ATOM 0 HG13 VAL B 70 -11.387 -0.660 -4.062 1.00 0.33 H new ATOM 0 HG21 VAL B 70 -13.117 1.824 -3.546 1.00 0.36 H new ATOM 0 HG22 VAL B 70 -13.128 0.875 -5.052 1.00 0.36 H new ATOM 0 HG23 VAL B 70 -14.645 1.150 -4.162 1.00 0.36 H new ATOM 2760 N ASP B 71 -12.797 -3.600 -3.925 1.00 0.37 N ATOM 2761 CA ASP B 71 -12.322 -4.831 -3.317 1.00 0.39 C ATOM 2762 C ASP B 71 -11.014 -4.574 -2.584 1.00 0.37 C ATOM 2763 O ASP B 71 -10.432 -3.495 -2.722 1.00 0.35 O ATOM 2764 CB ASP B 71 -12.172 -5.945 -4.362 1.00 0.45 C ATOM 2765 CG ASP B 71 -10.852 -5.932 -5.117 1.00 0.77 C ATOM 2766 OD1 ASP B 71 -9.840 -6.423 -4.570 1.00 1.35 O ATOM 2767 OD2 ASP B 71 -10.831 -5.478 -6.269 1.00 1.42 O ATOM 0 H ASP B 71 -12.528 -3.471 -4.901 1.00 0.37 H new ATOM 0 HA ASP B 71 -13.062 -5.172 -2.593 1.00 0.39 H new ATOM 0 HB2 ASP B 71 -12.281 -6.909 -3.865 1.00 0.45 H new ATOM 0 HB3 ASP B 71 -12.987 -5.863 -5.081 1.00 0.45 H new ATOM 2772 N PHE B 72 -10.567 -5.554 -1.794 1.00 0.41 N ATOM 2773 CA PHE B 72 -9.351 -5.412 -0.990 1.00 0.44 C ATOM 2774 C PHE B 72 -8.218 -4.806 -1.805 1.00 0.40 C ATOM 2775 O PHE B 72 -7.631 -3.810 -1.410 1.00 0.42 O ATOM 2776 CB PHE B 72 -8.842 -6.750 -0.480 1.00 0.54 C ATOM 2777 CG PHE B 72 -9.770 -7.562 0.366 1.00 0.94 C ATOM 2778 CD1 PHE B 72 -10.747 -8.350 -0.210 1.00 1.69 C ATOM 2779 CD2 PHE B 72 -9.611 -7.592 1.736 1.00 1.70 C ATOM 2780 CE1 PHE B 72 -11.555 -9.147 0.569 1.00 2.18 C ATOM 2781 CE2 PHE B 72 -10.420 -8.377 2.521 1.00 2.17 C ATOM 2782 CZ PHE B 72 -11.395 -9.159 1.938 1.00 2.15 C ATOM 0 H PHE B 72 -11.031 -6.457 -1.694 1.00 0.41 H new ATOM 0 HA PHE B 72 -9.629 -4.767 -0.156 1.00 0.44 H new ATOM 0 HB2 PHE B 72 -8.558 -7.353 -1.342 1.00 0.54 H new ATOM 0 HB3 PHE B 72 -7.934 -6.568 0.095 1.00 0.54 H new ATOM 0 HD1 PHE B 72 -10.878 -8.341 -1.282 1.00 1.69 H new ATOM 0 HD2 PHE B 72 -8.841 -6.991 2.197 1.00 1.70 H new ATOM 0 HE1 PHE B 72 -12.314 -9.762 0.108 1.00 2.18 H new ATOM 0 HE2 PHE B 72 -10.293 -8.382 3.593 1.00 2.17 H new ATOM 0 HZ PHE B 72 -12.031 -9.779 2.552 1.00 2.15 H new ATOM 2792 N GLN B 73 -7.909 -5.442 -2.932 1.00 0.38 N ATOM 2793 CA GLN B 73 -6.814 -5.013 -3.800 1.00 0.37 C ATOM 2794 C GLN B 73 -6.986 -3.573 -4.264 1.00 0.36 C ATOM 2795 O GLN B 73 -6.064 -2.773 -4.141 1.00 0.36 O ATOM 2796 CB GLN B 73 -6.690 -5.945 -5.010 1.00 0.41 C ATOM 2797 CG GLN B 73 -5.648 -5.506 -6.031 1.00 0.50 C ATOM 2798 CD GLN B 73 -6.264 -4.871 -7.264 1.00 0.42 C ATOM 2799 OE1 GLN B 73 -6.522 -5.542 -8.265 1.00 0.62 O ATOM 2800 NE2 GLN B 73 -6.533 -3.581 -7.187 1.00 0.41 N ATOM 0 H GLN B 73 -8.408 -6.266 -3.269 1.00 0.38 H new ATOM 0 HA GLN B 73 -5.897 -5.065 -3.213 1.00 0.37 H new ATOM 0 HB2 GLN B 73 -6.440 -6.946 -4.659 1.00 0.41 H new ATOM 0 HB3 GLN B 73 -7.660 -6.013 -5.503 1.00 0.41 H new ATOM 0 HG2 GLN B 73 -4.966 -4.796 -5.564 1.00 0.50 H new ATOM 0 HG3 GLN B 73 -5.054 -6.369 -6.331 1.00 0.50 H new ATOM 0 HE21 GLN B 73 -6.303 -3.062 -6.340 1.00 0.41 H new ATOM 0 HE22 GLN B 73 -6.971 -3.103 -7.975 1.00 0.41 H new ATOM 2809 N GLU B 74 -8.153 -3.246 -4.810 1.00 0.37 N ATOM 2810 CA GLU B 74 -8.411 -1.897 -5.299 1.00 0.39 C ATOM 2811 C GLU B 74 -8.268 -0.892 -4.162 1.00 0.38 C ATOM 2812 O GLU B 74 -7.880 0.258 -4.371 1.00 0.41 O ATOM 2813 CB GLU B 74 -9.810 -1.822 -5.917 1.00 0.44 C ATOM 2814 CG GLU B 74 -10.020 -2.790 -7.074 1.00 0.59 C ATOM 2815 CD GLU B 74 -9.467 -2.306 -8.402 1.00 1.40 C ATOM 2816 OE1 GLU B 74 -8.251 -2.033 -8.492 1.00 2.18 O ATOM 2817 OE2 GLU B 74 -10.249 -2.218 -9.375 1.00 2.04 O ATOM 0 H GLU B 74 -8.932 -3.894 -4.925 1.00 0.37 H new ATOM 0 HA GLU B 74 -7.680 -1.650 -6.069 1.00 0.39 H new ATOM 0 HB2 GLU B 74 -10.551 -2.027 -5.144 1.00 0.44 H new ATOM 0 HB3 GLU B 74 -9.989 -0.806 -6.268 1.00 0.44 H new ATOM 0 HG2 GLU B 74 -9.553 -3.743 -6.825 1.00 0.59 H new ATOM 0 HG3 GLU B 74 -11.088 -2.978 -7.185 1.00 0.59 H new ATOM 2824 N TYR B 75 -8.546 -1.350 -2.948 1.00 0.34 N ATOM 2825 CA TYR B 75 -8.433 -0.503 -1.779 1.00 0.36 C ATOM 2826 C TYR B 75 -6.980 -0.457 -1.283 1.00 0.34 C ATOM 2827 O TYR B 75 -6.537 0.527 -0.695 1.00 0.34 O ATOM 2828 CB TYR B 75 -9.356 -0.992 -0.667 1.00 0.43 C ATOM 2829 CG TYR B 75 -9.672 0.110 0.318 1.00 0.86 C ATOM 2830 CD1 TYR B 75 -8.811 0.398 1.364 1.00 1.72 C ATOM 2831 CD2 TYR B 75 -10.809 0.891 0.175 1.00 1.50 C ATOM 2832 CE1 TYR B 75 -9.070 1.428 2.240 1.00 2.09 C ATOM 2833 CE2 TYR B 75 -11.080 1.919 1.051 1.00 1.86 C ATOM 2834 CZ TYR B 75 -10.205 2.187 2.081 1.00 1.84 C ATOM 2835 OH TYR B 75 -10.460 3.222 2.947 1.00 2.33 O ATOM 0 H TYR B 75 -8.851 -2.304 -2.753 1.00 0.34 H new ATOM 0 HA TYR B 75 -8.736 0.505 -2.061 1.00 0.36 H new ATOM 0 HB2 TYR B 75 -10.282 -1.369 -1.101 1.00 0.43 H new ATOM 0 HB3 TYR B 75 -8.887 -1.825 -0.144 1.00 0.43 H new ATOM 0 HD1 TYR B 75 -7.919 -0.197 1.495 1.00 1.72 H new ATOM 0 HD2 TYR B 75 -11.493 0.690 -0.636 1.00 1.50 H new ATOM 0 HE1 TYR B 75 -8.385 1.639 3.048 1.00 2.09 H new ATOM 0 HE2 TYR B 75 -11.974 2.512 0.931 1.00 1.86 H new ATOM 0 HH TYR B 75 -9.736 3.284 3.605 1.00 2.33 H new ATOM 2845 N SER B 76 -6.241 -1.534 -1.522 1.00 0.35 N ATOM 2846 CA SER B 76 -4.822 -1.584 -1.196 1.00 0.36 C ATOM 2847 C SER B 76 -4.068 -0.651 -2.128 1.00 0.36 C ATOM 2848 O SER B 76 -3.096 -0.003 -1.744 1.00 0.41 O ATOM 2849 CB SER B 76 -4.294 -3.015 -1.338 1.00 0.41 C ATOM 2850 OG SER B 76 -5.043 -3.915 -0.541 1.00 1.21 O ATOM 0 H SER B 76 -6.604 -2.389 -1.943 1.00 0.35 H new ATOM 0 HA SER B 76 -4.674 -1.267 -0.164 1.00 0.36 H new ATOM 0 HB2 SER B 76 -4.343 -3.322 -2.383 1.00 0.41 H new ATOM 0 HB3 SER B 76 -3.245 -3.050 -1.044 1.00 0.41 H new ATOM 0 HG SER B 76 -5.971 -3.937 -0.857 1.00 1.21 H new ATOM 2856 N VAL B 77 -4.568 -0.574 -3.352 1.00 0.35 N ATOM 2857 CA VAL B 77 -4.059 0.344 -4.351 1.00 0.36 C ATOM 2858 C VAL B 77 -4.346 1.765 -3.903 1.00 0.33 C ATOM 2859 O VAL B 77 -3.560 2.682 -4.125 1.00 0.32 O ATOM 2860 CB VAL B 77 -4.720 0.072 -5.723 1.00 0.40 C ATOM 2861 CG1 VAL B 77 -4.474 1.209 -6.697 1.00 0.43 C ATOM 2862 CG2 VAL B 77 -4.212 -1.237 -6.305 1.00 0.43 C ATOM 0 H VAL B 77 -5.343 -1.151 -3.679 1.00 0.35 H new ATOM 0 HA VAL B 77 -2.984 0.203 -4.460 1.00 0.36 H new ATOM 0 HB VAL B 77 -5.796 -0.003 -5.562 1.00 0.40 H new ATOM 0 HG11 VAL B 77 -4.953 0.982 -7.649 1.00 0.43 H new ATOM 0 HG12 VAL B 77 -4.890 2.131 -6.292 1.00 0.43 H new ATOM 0 HG13 VAL B 77 -3.402 1.331 -6.850 1.00 0.43 H new ATOM 0 HG21 VAL B 77 -4.686 -1.414 -7.270 1.00 0.43 H new ATOM 0 HG22 VAL B 77 -3.131 -1.182 -6.436 1.00 0.43 H new ATOM 0 HG23 VAL B 77 -4.454 -2.055 -5.626 1.00 0.43 H new ATOM 2872 N PHE B 78 -5.480 1.917 -3.244 1.00 0.32 N ATOM 2873 CA PHE B 78 -5.862 3.179 -2.643 1.00 0.29 C ATOM 2874 C PHE B 78 -4.849 3.602 -1.586 1.00 0.27 C ATOM 2875 O PHE B 78 -4.258 4.676 -1.675 1.00 0.28 O ATOM 2876 CB PHE B 78 -7.244 3.049 -2.013 1.00 0.27 C ATOM 2877 CG PHE B 78 -7.683 4.273 -1.265 1.00 0.28 C ATOM 2878 CD1 PHE B 78 -7.563 5.533 -1.827 1.00 1.18 C ATOM 2879 CD2 PHE B 78 -8.206 4.159 0.007 1.00 1.23 C ATOM 2880 CE1 PHE B 78 -7.961 6.654 -1.133 1.00 1.19 C ATOM 2881 CE2 PHE B 78 -8.605 5.276 0.707 1.00 1.24 C ATOM 2882 CZ PHE B 78 -8.483 6.525 0.137 1.00 0.37 C ATOM 0 H PHE B 78 -6.161 1.169 -3.111 1.00 0.32 H new ATOM 0 HA PHE B 78 -5.886 3.942 -3.421 1.00 0.29 H new ATOM 0 HB2 PHE B 78 -7.971 2.832 -2.795 1.00 0.27 H new ATOM 0 HB3 PHE B 78 -7.245 2.198 -1.332 1.00 0.27 H new ATOM 0 HD1 PHE B 78 -7.153 5.638 -2.821 1.00 1.18 H new ATOM 0 HD2 PHE B 78 -8.304 3.183 0.459 1.00 1.23 H new ATOM 0 HE1 PHE B 78 -7.865 7.631 -1.582 1.00 1.19 H new ATOM 0 HE2 PHE B 78 -9.013 5.173 1.702 1.00 1.24 H new ATOM 0 HZ PHE B 78 -8.796 7.402 0.684 1.00 0.37 H new ATOM 2892 N LEU B 79 -4.644 2.751 -0.593 1.00 0.27 N ATOM 2893 CA LEU B 79 -3.703 3.046 0.481 1.00 0.27 C ATOM 2894 C LEU B 79 -2.301 3.246 -0.082 1.00 0.31 C ATOM 2895 O LEU B 79 -1.540 4.090 0.396 1.00 0.33 O ATOM 2896 CB LEU B 79 -3.714 1.927 1.523 1.00 0.29 C ATOM 2897 CG LEU B 79 -5.092 1.620 2.117 1.00 0.29 C ATOM 2898 CD1 LEU B 79 -4.975 0.651 3.277 1.00 0.40 C ATOM 2899 CD2 LEU B 79 -5.781 2.896 2.561 1.00 0.30 C ATOM 0 H LEU B 79 -5.115 1.851 -0.507 1.00 0.27 H new ATOM 0 HA LEU B 79 -4.011 3.970 0.970 1.00 0.27 H new ATOM 0 HB2 LEU B 79 -3.320 1.019 1.066 1.00 0.29 H new ATOM 0 HB3 LEU B 79 -3.036 2.196 2.333 1.00 0.29 H new ATOM 0 HG LEU B 79 -5.698 1.153 1.340 1.00 0.29 H new ATOM 0 HD11 LEU B 79 -5.966 0.448 3.683 1.00 0.40 H new ATOM 0 HD12 LEU B 79 -4.527 -0.280 2.930 1.00 0.40 H new ATOM 0 HD13 LEU B 79 -4.347 1.088 4.054 1.00 0.40 H new ATOM 0 HD21 LEU B 79 -6.758 2.655 2.980 1.00 0.30 H new ATOM 0 HD22 LEU B 79 -5.174 3.393 3.318 1.00 0.30 H new ATOM 0 HD23 LEU B 79 -5.907 3.559 1.705 1.00 0.30 H new ATOM 2911 N SER B 80 -1.981 2.479 -1.116 1.00 0.36 N ATOM 2912 CA SER B 80 -0.735 2.645 -1.840 1.00 0.47 C ATOM 2913 C SER B 80 -0.650 4.051 -2.421 1.00 0.37 C ATOM 2914 O SER B 80 0.311 4.773 -2.166 1.00 0.38 O ATOM 2915 CB SER B 80 -0.635 1.612 -2.964 1.00 0.66 C ATOM 2916 OG SER B 80 0.604 1.709 -3.649 1.00 0.84 O ATOM 0 H SER B 80 -2.575 1.730 -1.472 1.00 0.36 H new ATOM 0 HA SER B 80 0.093 2.496 -1.147 1.00 0.47 H new ATOM 0 HB2 SER B 80 -0.746 0.610 -2.550 1.00 0.66 H new ATOM 0 HB3 SER B 80 -1.454 1.758 -3.668 1.00 0.66 H new ATOM 0 HG SER B 80 0.638 1.035 -4.360 1.00 0.84 H new ATOM 2922 N SER B 81 -1.672 4.443 -3.184 1.00 0.33 N ATOM 2923 CA SER B 81 -1.684 5.752 -3.814 1.00 0.30 C ATOM 2924 C SER B 81 -1.585 6.850 -2.765 1.00 0.24 C ATOM 2925 O SER B 81 -0.897 7.836 -2.978 1.00 0.26 O ATOM 2926 CB SER B 81 -2.926 5.943 -4.700 1.00 0.37 C ATOM 2927 OG SER B 81 -4.129 5.884 -3.951 1.00 1.22 O ATOM 0 H SER B 81 -2.495 3.872 -3.376 1.00 0.33 H new ATOM 0 HA SER B 81 -0.811 5.818 -4.464 1.00 0.30 H new ATOM 0 HB2 SER B 81 -2.863 6.905 -5.209 1.00 0.37 H new ATOM 0 HB3 SER B 81 -2.942 5.174 -5.472 1.00 0.37 H new ATOM 0 HG SER B 81 -3.983 5.357 -3.138 1.00 1.22 H new ATOM 2933 N ILE B 82 -2.240 6.666 -1.621 1.00 0.23 N ATOM 2934 CA ILE B 82 -2.138 7.631 -0.535 1.00 0.23 C ATOM 2935 C ILE B 82 -0.683 7.836 -0.145 1.00 0.27 C ATOM 2936 O ILE B 82 -0.162 8.955 -0.192 1.00 0.30 O ATOM 2937 CB ILE B 82 -2.892 7.188 0.731 1.00 0.24 C ATOM 2938 CG1 ILE B 82 -4.376 6.951 0.442 1.00 0.21 C ATOM 2939 CG2 ILE B 82 -2.708 8.239 1.818 1.00 0.28 C ATOM 2940 CD1 ILE B 82 -5.175 6.571 1.671 1.00 0.23 C ATOM 0 H ILE B 82 -2.841 5.865 -1.425 1.00 0.23 H new ATOM 0 HA ILE B 82 -2.586 8.551 -0.911 1.00 0.23 H new ATOM 0 HB ILE B 82 -2.479 6.240 1.074 1.00 0.24 H new ATOM 0 HG12 ILE B 82 -4.802 7.854 0.006 1.00 0.21 H new ATOM 0 HG13 ILE B 82 -4.472 6.161 -0.303 1.00 0.21 H new ATOM 0 HG21 ILE B 82 -3.241 7.929 2.717 1.00 0.28 H new ATOM 0 HG22 ILE B 82 -1.647 8.347 2.044 1.00 0.28 H new ATOM 0 HG23 ILE B 82 -3.104 9.194 1.472 1.00 0.28 H new ATOM 0 HD11 ILE B 82 -6.218 6.418 1.394 1.00 0.23 H new ATOM 0 HD12 ILE B 82 -4.774 5.651 2.096 1.00 0.23 H new ATOM 0 HD13 ILE B 82 -5.109 7.370 2.409 1.00 0.23 H new ATOM 2952 N ALA B 83 -0.036 6.740 0.231 1.00 0.30 N ATOM 2953 CA ALA B 83 1.340 6.781 0.688 1.00 0.36 C ATOM 2954 C ALA B 83 2.264 7.303 -0.405 1.00 0.37 C ATOM 2955 O ALA B 83 3.175 8.067 -0.123 1.00 0.42 O ATOM 2956 CB ALA B 83 1.779 5.405 1.173 1.00 0.40 C ATOM 0 H ALA B 83 -0.449 5.807 0.227 1.00 0.30 H new ATOM 0 HA ALA B 83 1.403 7.473 1.528 1.00 0.36 H new ATOM 0 HB1 ALA B 83 2.814 5.452 1.513 1.00 0.40 H new ATOM 0 HB2 ALA B 83 1.140 5.089 1.998 1.00 0.40 H new ATOM 0 HB3 ALA B 83 1.698 4.688 0.356 1.00 0.40 H new ATOM 2962 N MET B 84 2.005 6.917 -1.652 1.00 0.37 N ATOM 2963 CA MET B 84 2.810 7.389 -2.780 1.00 0.43 C ATOM 2964 C MET B 84 2.644 8.892 -2.983 1.00 0.34 C ATOM 2965 O MET B 84 3.623 9.621 -3.099 1.00 0.37 O ATOM 2966 CB MET B 84 2.436 6.665 -4.079 1.00 0.64 C ATOM 2967 CG MET B 84 2.648 5.161 -4.035 1.00 0.44 C ATOM 2968 SD MET B 84 2.537 4.389 -5.664 1.00 1.00 S ATOM 2969 CE MET B 84 0.836 4.734 -6.105 1.00 1.26 C ATOM 0 H MET B 84 1.249 6.282 -1.908 1.00 0.37 H new ATOM 0 HA MET B 84 3.850 7.169 -2.538 1.00 0.43 H new ATOM 0 HB2 MET B 84 1.389 6.867 -4.306 1.00 0.64 H new ATOM 0 HB3 MET B 84 3.026 7.080 -4.896 1.00 0.64 H new ATOM 0 HG2 MET B 84 3.626 4.949 -3.604 1.00 0.44 H new ATOM 0 HG3 MET B 84 1.905 4.713 -3.375 1.00 0.44 H new ATOM 0 HE1 MET B 84 0.638 4.363 -7.111 1.00 1.26 H new ATOM 0 HE2 MET B 84 0.169 4.240 -5.398 1.00 1.26 H new ATOM 0 HE3 MET B 84 0.663 5.810 -6.075 1.00 1.26 H new ATOM 2979 N MET B 85 1.401 9.351 -3.009 1.00 0.33 N ATOM 2980 CA MET B 85 1.105 10.754 -3.290 1.00 0.35 C ATOM 2981 C MET B 85 1.622 11.660 -2.183 1.00 0.35 C ATOM 2982 O MET B 85 2.251 12.683 -2.455 1.00 0.42 O ATOM 2983 CB MET B 85 -0.397 10.959 -3.486 1.00 0.39 C ATOM 2984 CG MET B 85 -0.965 10.146 -4.637 1.00 1.36 C ATOM 2985 SD MET B 85 -0.262 10.595 -6.236 1.00 2.66 S ATOM 2986 CE MET B 85 -0.860 12.275 -6.414 1.00 3.35 C ATOM 0 H MET B 85 0.578 8.773 -2.839 1.00 0.33 H new ATOM 0 HA MET B 85 1.618 11.023 -4.213 1.00 0.35 H new ATOM 0 HB2 MET B 85 -0.917 10.689 -2.567 1.00 0.39 H new ATOM 0 HB3 MET B 85 -0.593 12.016 -3.664 1.00 0.39 H new ATOM 0 HG2 MET B 85 -0.782 9.088 -4.451 1.00 1.36 H new ATOM 0 HG3 MET B 85 -2.046 10.282 -4.671 1.00 1.36 H new ATOM 0 HE1 MET B 85 -0.567 12.664 -7.389 1.00 3.35 H new ATOM 0 HE2 MET B 85 -1.947 12.285 -6.331 1.00 3.35 H new ATOM 0 HE3 MET B 85 -0.431 12.899 -5.630 1.00 3.35 H new ATOM 2996 N SER B 86 1.377 11.278 -0.933 1.00 0.33 N ATOM 2997 CA SER B 86 1.890 12.043 0.196 1.00 0.39 C ATOM 2998 C SER B 86 3.416 11.998 0.211 1.00 0.43 C ATOM 2999 O SER B 86 4.075 12.902 0.719 1.00 0.57 O ATOM 3000 CB SER B 86 1.313 11.509 1.513 1.00 0.43 C ATOM 3001 OG SER B 86 1.476 10.104 1.622 1.00 1.25 O ATOM 0 H SER B 86 0.833 10.453 -0.679 1.00 0.33 H new ATOM 0 HA SER B 86 1.578 13.082 0.088 1.00 0.39 H new ATOM 0 HB2 SER B 86 1.806 11.999 2.352 1.00 0.43 H new ATOM 0 HB3 SER B 86 0.254 11.759 1.575 1.00 0.43 H new ATOM 0 HG SER B 86 0.804 9.653 1.070 1.00 1.25 H new ATOM 3007 N ASN B 87 3.957 10.946 -0.386 1.00 0.40 N ATOM 3008 CA ASN B 87 5.394 10.730 -0.480 1.00 0.51 C ATOM 3009 C ASN B 87 6.052 11.664 -1.495 1.00 0.44 C ATOM 3010 O ASN B 87 6.982 12.397 -1.158 1.00 0.53 O ATOM 3011 CB ASN B 87 5.638 9.283 -0.879 1.00 0.69 C ATOM 3012 CG ASN B 87 7.026 9.018 -1.401 1.00 1.43 C ATOM 3013 OD1 ASN B 87 7.198 8.214 -2.311 1.00 2.36 O ATOM 3014 ND2 ASN B 87 8.027 9.672 -0.831 1.00 1.49 N ATOM 0 H ASN B 87 3.404 10.209 -0.824 1.00 0.40 H new ATOM 0 HA ASN B 87 5.840 10.946 0.491 1.00 0.51 H new ATOM 0 HB2 ASN B 87 5.457 8.643 -0.015 1.00 0.69 H new ATOM 0 HB3 ASN B 87 4.913 9.000 -1.643 1.00 0.69 H new ATOM 0 HD21 ASN B 87 8.984 9.515 -1.147 1.00 1.49 H new ATOM 0 HD22 ASN B 87 7.841 10.333 -0.077 1.00 1.49 H new ATOM 3021 N GLU B 88 5.603 11.603 -2.740 1.00 0.37 N ATOM 3022 CA GLU B 88 6.155 12.448 -3.795 1.00 0.42 C ATOM 3023 C GLU B 88 6.094 13.913 -3.381 1.00 0.51 C ATOM 3024 O GLU B 88 7.062 14.661 -3.521 1.00 0.66 O ATOM 3025 CB GLU B 88 5.375 12.248 -5.091 1.00 0.48 C ATOM 3026 CG GLU B 88 5.100 10.793 -5.420 1.00 0.51 C ATOM 3027 CD GLU B 88 6.317 10.049 -5.880 1.00 0.91 C ATOM 3028 OE1 GLU B 88 7.402 10.657 -5.994 1.00 1.74 O ATOM 3029 OE2 GLU B 88 6.200 8.833 -6.108 1.00 1.49 O ATOM 0 H GLU B 88 4.858 10.978 -3.047 1.00 0.37 H new ATOM 0 HA GLU B 88 7.195 12.166 -3.957 1.00 0.42 H new ATOM 0 HB2 GLU B 88 4.427 12.780 -5.019 1.00 0.48 H new ATOM 0 HB3 GLU B 88 5.932 12.698 -5.913 1.00 0.48 H new ATOM 0 HG2 GLU B 88 4.692 10.299 -4.538 1.00 0.51 H new ATOM 0 HG3 GLU B 88 4.336 10.741 -6.196 1.00 0.51 H new ATOM 3036 N PHE B 89 4.950 14.304 -2.840 1.00 0.50 N ATOM 3037 CA PHE B 89 4.748 15.669 -2.377 1.00 0.63 C ATOM 3038 C PHE B 89 5.400 15.911 -1.014 1.00 0.66 C ATOM 3039 O PHE B 89 5.487 17.052 -0.561 1.00 0.79 O ATOM 3040 CB PHE B 89 3.256 15.996 -2.332 1.00 0.73 C ATOM 3041 CG PHE B 89 2.651 16.153 -3.699 1.00 1.18 C ATOM 3042 CD1 PHE B 89 2.908 17.287 -4.453 1.00 1.70 C ATOM 3043 CD2 PHE B 89 1.840 15.168 -4.235 1.00 2.16 C ATOM 3044 CE1 PHE B 89 2.363 17.435 -5.714 1.00 2.37 C ATOM 3045 CE2 PHE B 89 1.294 15.310 -5.496 1.00 2.79 C ATOM 3046 CZ PHE B 89 1.556 16.446 -6.235 1.00 2.70 C ATOM 0 H PHE B 89 4.144 13.692 -2.710 1.00 0.50 H new ATOM 0 HA PHE B 89 5.234 16.337 -3.088 1.00 0.63 H new ATOM 0 HB2 PHE B 89 2.732 15.205 -1.797 1.00 0.73 H new ATOM 0 HB3 PHE B 89 3.108 16.916 -1.766 1.00 0.73 H new ATOM 0 HD1 PHE B 89 3.541 18.064 -4.050 1.00 1.70 H new ATOM 0 HD2 PHE B 89 1.631 14.278 -3.661 1.00 2.16 H new ATOM 0 HE1 PHE B 89 2.569 18.324 -6.291 1.00 2.37 H new ATOM 0 HE2 PHE B 89 0.663 14.534 -5.903 1.00 2.79 H new ATOM 0 HZ PHE B 89 1.129 16.560 -7.221 1.00 2.70 H new ATOM 3056 N PHE B 90 5.853 14.845 -0.363 1.00 0.60 N ATOM 3057 CA PHE B 90 6.652 14.979 0.852 1.00 0.68 C ATOM 3058 C PHE B 90 7.982 15.626 0.499 1.00 0.68 C ATOM 3059 O PHE B 90 8.467 16.513 1.203 1.00 0.79 O ATOM 3060 CB PHE B 90 6.878 13.611 1.506 1.00 0.70 C ATOM 3061 CG PHE B 90 7.612 13.660 2.816 1.00 0.85 C ATOM 3062 CD1 PHE B 90 6.958 14.038 3.978 1.00 1.46 C ATOM 3063 CD2 PHE B 90 8.954 13.321 2.887 1.00 1.53 C ATOM 3064 CE1 PHE B 90 7.628 14.078 5.184 1.00 1.59 C ATOM 3065 CE2 PHE B 90 9.629 13.358 4.092 1.00 1.64 C ATOM 3066 CZ PHE B 90 8.965 13.737 5.242 1.00 1.21 C ATOM 0 H PHE B 90 5.682 13.882 -0.654 1.00 0.60 H new ATOM 0 HA PHE B 90 6.119 15.606 1.567 1.00 0.68 H new ATOM 0 HB2 PHE B 90 5.911 13.134 1.664 1.00 0.70 H new ATOM 0 HB3 PHE B 90 7.436 12.980 0.815 1.00 0.70 H new ATOM 0 HD1 PHE B 90 5.912 14.304 3.939 1.00 1.46 H new ATOM 0 HD2 PHE B 90 9.478 13.025 1.990 1.00 1.53 H new ATOM 0 HE1 PHE B 90 7.107 14.376 6.082 1.00 1.59 H new ATOM 0 HE2 PHE B 90 10.675 13.091 4.134 1.00 1.64 H new ATOM 0 HZ PHE B 90 9.490 13.767 6.185 1.00 1.21 H new ATOM 3076 N GLU B 91 8.563 15.177 -0.609 1.00 0.61 N ATOM 3077 CA GLU B 91 9.740 15.825 -1.167 1.00 0.72 C ATOM 3078 C GLU B 91 9.338 17.166 -1.753 1.00 0.77 C ATOM 3079 O GLU B 91 10.035 18.169 -1.614 1.00 0.95 O ATOM 3080 CB GLU B 91 10.363 14.960 -2.262 1.00 0.82 C ATOM 3081 CG GLU B 91 10.737 13.568 -1.798 1.00 0.92 C ATOM 3082 CD GLU B 91 11.775 13.578 -0.692 1.00 1.57 C ATOM 3083 OE1 GLU B 91 12.980 13.639 -1.007 1.00 2.22 O ATOM 3084 OE2 GLU B 91 11.390 13.532 0.495 1.00 2.25 O ATOM 0 H GLU B 91 8.237 14.367 -1.136 1.00 0.61 H new ATOM 0 HA GLU B 91 10.475 15.966 -0.374 1.00 0.72 H new ATOM 0 HB2 GLU B 91 9.662 14.880 -3.093 1.00 0.82 H new ATOM 0 HB3 GLU B 91 11.254 15.458 -2.643 1.00 0.82 H new ATOM 0 HG2 GLU B 91 9.842 13.054 -1.446 1.00 0.92 H new ATOM 0 HG3 GLU B 91 11.120 12.998 -2.645 1.00 0.92 H new ATOM 3091 N GLY B 92 8.181 17.163 -2.392 1.00 0.71 N ATOM 3092 CA GLY B 92 7.691 18.334 -3.074 1.00 0.82 C ATOM 3093 C GLY B 92 7.526 18.048 -4.544 1.00 0.81 C ATOM 3094 O GLY B 92 6.615 18.553 -5.197 1.00 0.91 O ATOM 0 H GLY B 92 7.564 16.353 -2.449 1.00 0.71 H new ATOM 0 HA2 GLY B 92 6.736 18.640 -2.646 1.00 0.82 H new ATOM 0 HA3 GLY B 92 8.384 19.163 -2.933 1.00 0.82 H new ATOM 3098 N PHE B 93 8.414 17.203 -5.046 1.00 0.76 N ATOM 3099 CA PHE B 93 8.392 16.760 -6.425 1.00 0.78 C ATOM 3100 C PHE B 93 8.911 15.332 -6.491 1.00 0.69 C ATOM 3101 O PHE B 93 9.784 14.951 -5.707 1.00 0.82 O ATOM 3102 CB PHE B 93 9.259 17.663 -7.310 1.00 1.00 C ATOM 3103 CG PHE B 93 8.693 19.036 -7.532 1.00 1.67 C ATOM 3104 CD1 PHE B 93 7.703 19.244 -8.479 1.00 2.41 C ATOM 3105 CD2 PHE B 93 9.147 20.117 -6.795 1.00 2.58 C ATOM 3106 CE1 PHE B 93 7.179 20.504 -8.687 1.00 3.46 C ATOM 3107 CE2 PHE B 93 8.627 21.380 -7.000 1.00 3.59 C ATOM 3108 CZ PHE B 93 7.641 21.574 -7.948 1.00 3.90 C ATOM 0 H PHE B 93 9.177 16.804 -4.499 1.00 0.76 H new ATOM 0 HA PHE B 93 7.367 16.809 -6.793 1.00 0.78 H new ATOM 0 HB2 PHE B 93 10.245 17.758 -6.856 1.00 1.00 H new ATOM 0 HB3 PHE B 93 9.398 17.179 -8.277 1.00 1.00 H new ATOM 0 HD1 PHE B 93 7.337 18.411 -9.061 1.00 2.41 H new ATOM 0 HD2 PHE B 93 9.916 19.971 -6.051 1.00 2.58 H new ATOM 0 HE1 PHE B 93 6.407 20.652 -9.428 1.00 3.46 H new ATOM 0 HE2 PHE B 93 8.991 22.215 -6.420 1.00 3.59 H new ATOM 0 HZ PHE B 93 7.233 22.561 -8.110 1.00 3.90 H new ATOM 3118 N PRO B 94 8.366 14.516 -7.395 1.00 0.64 N ATOM 3119 CA PRO B 94 8.843 13.152 -7.604 1.00 0.61 C ATOM 3120 C PRO B 94 10.206 13.139 -8.290 1.00 0.71 C ATOM 3121 O PRO B 94 10.324 12.921 -9.497 1.00 0.90 O ATOM 3122 CB PRO B 94 7.780 12.530 -8.494 1.00 0.65 C ATOM 3123 CG PRO B 94 7.160 13.678 -9.215 1.00 0.84 C ATOM 3124 CD PRO B 94 7.235 14.851 -8.276 1.00 0.83 C ATOM 0 HA PRO B 94 8.983 12.610 -6.668 1.00 0.61 H new ATOM 0 HB2 PRO B 94 8.218 11.816 -9.192 1.00 0.65 H new ATOM 0 HB3 PRO B 94 7.040 11.988 -7.905 1.00 0.65 H new ATOM 0 HG2 PRO B 94 7.691 13.888 -10.143 1.00 0.84 H new ATOM 0 HG3 PRO B 94 6.126 13.458 -9.482 1.00 0.84 H new ATOM 0 HD2 PRO B 94 7.407 15.784 -8.813 1.00 0.83 H new ATOM 0 HD3 PRO B 94 6.310 14.973 -7.712 1.00 0.83 H new ATOM 3132 N ASP B 95 11.227 13.372 -7.492 1.00 0.71 N ATOM 3133 CA ASP B 95 12.592 13.541 -7.985 1.00 0.87 C ATOM 3134 C ASP B 95 13.447 12.338 -7.622 1.00 0.84 C ATOM 3135 O ASP B 95 14.571 12.177 -8.095 1.00 0.96 O ATOM 3136 CB ASP B 95 13.206 14.824 -7.413 1.00 1.12 C ATOM 3137 CG ASP B 95 14.603 15.095 -7.938 1.00 1.70 C ATOM 3138 OD1 ASP B 95 14.747 15.351 -9.151 1.00 2.16 O ATOM 3139 OD2 ASP B 95 15.565 15.067 -7.139 1.00 2.40 O ATOM 0 H ASP B 95 11.141 13.451 -6.479 1.00 0.71 H new ATOM 0 HA ASP B 95 12.559 13.621 -9.072 1.00 0.87 H new ATOM 0 HB2 ASP B 95 12.562 15.669 -7.656 1.00 1.12 H new ATOM 0 HB3 ASP B 95 13.240 14.751 -6.326 1.00 1.12 H new ATOM 3144 N LYS B 96 12.883 11.480 -6.796 1.00 0.81 N ATOM 3145 CA LYS B 96 13.536 10.242 -6.401 1.00 0.86 C ATOM 3146 C LYS B 96 13.391 9.231 -7.522 1.00 0.83 C ATOM 3147 O LYS B 96 14.073 8.212 -7.568 1.00 0.94 O ATOM 3148 CB LYS B 96 12.902 9.714 -5.113 1.00 0.97 C ATOM 3149 CG LYS B 96 11.384 9.758 -5.133 1.00 0.93 C ATOM 3150 CD LYS B 96 10.783 9.336 -3.807 1.00 0.65 C ATOM 3151 CE LYS B 96 9.310 9.668 -3.762 1.00 0.84 C ATOM 3152 NZ LYS B 96 8.519 8.721 -4.572 1.00 1.85 N ATOM 0 H LYS B 96 11.962 11.618 -6.379 1.00 0.81 H new ATOM 0 HA LYS B 96 14.595 10.419 -6.215 1.00 0.86 H new ATOM 0 HB2 LYS B 96 13.227 8.687 -4.950 1.00 0.97 H new ATOM 0 HB3 LYS B 96 13.265 10.301 -4.269 1.00 0.97 H new ATOM 0 HG2 LYS B 96 11.054 10.769 -5.375 1.00 0.93 H new ATOM 0 HG3 LYS B 96 11.013 9.105 -5.923 1.00 0.93 H new ATOM 0 HD2 LYS B 96 10.925 8.265 -3.662 1.00 0.65 H new ATOM 0 HD3 LYS B 96 11.300 9.840 -2.990 1.00 0.65 H new ATOM 0 HE2 LYS B 96 8.962 9.645 -2.729 1.00 0.84 H new ATOM 0 HE3 LYS B 96 9.153 10.682 -4.129 1.00 0.84 H new ATOM 0 HZ1 LYS B 96 7.677 8.426 -4.038 1.00 1.85 H new ATOM 0 HZ2 LYS B 96 8.224 9.183 -5.456 1.00 1.85 H new ATOM 0 HZ3 LYS B 96 9.098 7.886 -4.794 1.00 1.85 H new