USER MOD reduce.3.24.130724 H: found=0, std=0, add=1595, rem=0, adj=47 USER MOD reduce.3.24.130724 removed 1566 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: B1045 HIS : no HE2:sc= 0.391 K(o=1.7,f=-7.5!) USER MOD Set 1.2: B1075 CYS SG : rot 180:sc= 0 USER MOD Set 1.3: B1094 TYR OH : rot -30:sc= 1.33 USER MOD Set 2.1: B1085 LYS NZ :NH3+ 175:sc= -2.76! (180deg=-3.03!) USER MOD Set 2.2: B1088 THR OG1 : rot -12:sc= 0.335 USER MOD Set 3.1: B1048 MET CE :methyl -141:sc= -0.318 (180deg=-1.83!) USER MOD Set 3.2: B1061 ASN :FLIP amide:sc= 0 F(o=-2.8,f=-0.32) USER MOD Set 4.1: B1018 HIS : no HD1:sc= -0.125 K(o=0.69,f=-0.32) USER MOD Set 4.2: B1102 SER OG : rot 76:sc= 0.817 USER MOD Set 5.1: A 928 THR OG1 : rot 180:sc= 0.325 USER MOD Set 5.2: A 939 SER OG : rot 92:sc= 0.314 USER MOD Set 6.1: A 926 HIS : no HD1:sc= 0.712 K(o=2.7,f=-7.9!) USER MOD Set 6.2: A 940 SER OG : rot 72:sc= 1.96 USER MOD Set 7.1: A 907 THR OG1 : rot 180:sc= 0 USER MOD Set 7.2: A 971 GLN : amide:sc= 0.122 K(o=0.12,f=-3.3!) USER MOD Single : A 904 GLN : amide:sc= 0 X(o=0,f=-0.36) USER MOD Single : A 909 SER OG : rot 180:sc= 0 USER MOD Single : A 915 THR OG1 : rot 102:sc= 1.08 USER MOD Single : A 918 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 921 GLN : amide:sc= 0.537 K(o=0.54,f=-6.6!) USER MOD Single : A 922 THR OG1 : rot 180:sc= 0 USER MOD Single : A 923 CYS SG : rot 180:sc= -0.0165 USER MOD Single : A 927 TYR OH : rot 178:sc= 1.24 USER MOD Single : A 930 MET CE :methyl 175:sc= 0 (180deg=-0.0253) USER MOD Single : A 935 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 936 LYS NZ :NH3+ -164:sc= 0.268 (180deg=0.186) USER MOD Single : A 944 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 945 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 948 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 950 MET CE :methyl -147:sc= -0.289 (180deg=-1.61!) USER MOD Single : A 953 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 954 GLN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 966 GLN : amide:sc= 0.277 X(o=0.28,f=0) USER MOD Single : A 967 MET CE :methyl 136:sc= -0.0926 (180deg=-0.751) USER MOD Single : A 968 SER OG : rot -120:sc= 0.714 USER MOD Single : A 974 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 976 THR OG1 : rot 180:sc= 0 USER MOD Single : A 978 SER OG : rot -103:sc= 1.31 USER MOD Single : A 981 TYR OH : rot 180:sc= 0 USER MOD Single : A 983 TYR OH : rot 180:sc= 0 USER MOD Single : A 986 THR OG1 : rot 180:sc= 0 USER MOD Single : A 988 HIS :FLIP no HD1:sc= -1.34 F(o=-2.6!,f=-1.3) USER MOD Single : A 995 HIS : no HD1:sc= -0.35 X(o=-0.35,f=-0.5) USER MOD Single : A 997 THR OG1 : rot 180:sc= 0 USER MOD Single : A1006 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B1014 HIS : no HD1:sc= -1.85! C(o=-1.9!,f=-4.7!) USER MOD Single : B1016 MET CE :methyl -151:sc= -2.06 (180deg=-4.38!) USER MOD Single : B1025 SER OG : rot -50:sc= 0.627 USER MOD Single : B1028 TYR OH : rot 180:sc= -0.8 USER MOD Single : B1033 ASN : amide:sc= 0.265 K(o=0.26,f=-3.8!) USER MOD Single : B1035 LYS NZ :NH3+ -147:sc= 0.755 (180deg=-1.04!) USER MOD Single : B1037 MET CE :methyl -154:sc= -2.28 (180deg=-3.7!) USER MOD Single : B1047 MET CE :methyl -114:sc= -2.65! (180deg=-4.98!) USER MOD Single : B1053 GLN : amide:sc= -0.307 X(o=-0.31,f=-0.073) USER MOD Single : B1054 THR OG1 : rot 180:sc= 0.475 USER MOD Single : B1056 LYS NZ :NH3+ -126:sc= 0 (180deg=-0.151) USER MOD Single : B1058 THR OG1 : rot 76:sc= 0.722 USER MOD Single : B1059 SER OG : rot 180:sc= 0 USER MOD Single : B1062 GLN : amide:sc= -0.253 K(o=-0.25,f=-2.8!) USER MOD Single : B1064 TYR OH : rot 180:sc= 0 USER MOD Single : B1069 MET CE :methyl -178:sc= -1.43 (180deg=-1.52!) USER MOD Single : B1072 GLN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : B1077 LYS NZ :NH3+ -115:sc= 0.343 (180deg=0) USER MOD Single : B1078 TYR OH : rot 180:sc= 0 USER MOD Single : B1079 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B1080 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B1081 SER OG : rot -154:sc= 1.96 USER MOD Single : B1083 ASN :FLIP amide:sc= -1.24 F(o=-6.2!,f=-1.2) USER MOD Single : B1089 GLN : amide:sc= -0.187 X(o=-0.19,f=-0.33) USER MOD Single : B1095 TYR OH : rot 167:sc= 0 USER MOD Single : B1096 HIS :FLIP no HD1:sc= -0.912 F(o=-3.3!,f=-0.91) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 902 -16.478 1.553 15.165 1.00 11.28 N ATOM 2 CA GLY A 902 -15.879 0.244 15.038 1.00 14.35 C ATOM 3 C GLY A 902 -15.928 -0.192 13.580 1.00 15.91 C ATOM 4 O GLY A 902 -15.828 0.667 12.682 1.00 16.11 O ATOM 0 HA2 GLY A 902 -14.847 0.268 15.388 1.00 14.35 H new ATOM 0 HA3 GLY A 902 -16.411 -0.474 15.662 1.00 14.35 H new ATOM 9 N VAL A 903 -16.082 -1.500 13.383 1.00 11.40 N ATOM 10 CA VAL A 903 -16.214 -2.118 12.077 1.00 7.65 C ATOM 11 C VAL A 903 -17.408 -3.070 12.169 1.00 18.43 C ATOM 12 O VAL A 903 -17.573 -3.844 13.119 1.00 15.55 O ATOM 13 CB VAL A 903 -14.883 -2.808 11.643 1.00 14.21 C ATOM 14 CG1 VAL A 903 -14.378 -3.863 12.625 1.00 16.55 C ATOM 15 CG2 VAL A 903 -14.991 -3.422 10.249 1.00 15.47 C ATOM 0 H VAL A 903 -16.119 -2.171 14.150 1.00 11.40 H new ATOM 0 HA VAL A 903 -16.402 -1.384 11.293 1.00 7.65 H new ATOM 0 HB VAL A 903 -14.149 -2.002 11.633 1.00 14.21 H new ATOM 0 HG11 VAL A 903 -13.450 -4.294 12.250 1.00 16.55 H new ATOM 0 HG12 VAL A 903 -14.197 -3.400 13.595 1.00 16.55 H new ATOM 0 HG13 VAL A 903 -15.126 -4.649 12.732 1.00 16.55 H new ATOM 0 HG21 VAL A 903 -14.044 -3.892 9.984 1.00 15.47 H new ATOM 0 HG22 VAL A 903 -15.783 -4.171 10.242 1.00 15.47 H new ATOM 0 HG23 VAL A 903 -15.223 -2.641 9.525 1.00 15.47 H new ATOM 25 N GLN A 904 -18.310 -2.935 11.219 1.00 9.33 N ATOM 26 CA GLN A 904 -19.459 -3.825 11.128 1.00 10.30 C ATOM 27 C GLN A 904 -19.161 -4.787 9.978 1.00 10.81 C ATOM 28 O GLN A 904 -18.725 -4.324 8.930 1.00 11.33 O ATOM 29 CB GLN A 904 -20.659 -2.965 10.832 1.00 13.36 C ATOM 30 CG GLN A 904 -21.948 -3.773 10.812 1.00 55.99 C ATOM 31 CD GLN A 904 -23.190 -2.974 10.439 1.00 68.84 C ATOM 32 OE1 GLN A 904 -23.214 -1.751 10.447 1.00 72.87 O ATOM 33 NE2 GLN A 904 -24.310 -3.595 10.100 1.00 57.49 N ATOM 0 H GLN A 904 -18.273 -2.217 10.495 1.00 9.33 H new ATOM 0 HA GLN A 904 -19.651 -4.393 12.038 1.00 10.30 H new ATOM 0 HB2 GLN A 904 -20.736 -2.179 11.583 1.00 13.36 H new ATOM 0 HB3 GLN A 904 -20.524 -2.474 9.868 1.00 13.36 H new ATOM 0 HG2 GLN A 904 -21.835 -4.595 10.106 1.00 55.99 H new ATOM 0 HG3 GLN A 904 -22.099 -4.216 11.796 1.00 55.99 H new ATOM 0 HE21 GLN A 904 -24.341 -4.614 10.078 1.00 57.49 H new ATOM 0 HE22 GLN A 904 -25.141 -3.054 9.861 1.00 57.49 H new ATOM 42 N VAL A 905 -19.334 -6.104 10.097 1.00 14.73 N ATOM 43 CA VAL A 905 -19.040 -7.055 9.030 1.00 15.13 C ATOM 44 C VAL A 905 -20.392 -7.640 8.628 1.00 14.25 C ATOM 45 O VAL A 905 -21.073 -8.255 9.449 1.00 16.89 O ATOM 46 CB VAL A 905 -18.065 -8.163 9.541 1.00 11.91 C ATOM 47 CG1 VAL A 905 -17.748 -9.187 8.471 1.00 13.25 C ATOM 48 CG2 VAL A 905 -16.770 -7.553 10.060 1.00 9.78 C ATOM 0 H VAL A 905 -19.686 -6.543 10.948 1.00 14.73 H new ATOM 0 HA VAL A 905 -18.546 -6.584 8.180 1.00 15.13 H new ATOM 0 HB VAL A 905 -18.578 -8.674 10.356 1.00 11.91 H new ATOM 0 HG11 VAL A 905 -17.067 -9.936 8.875 1.00 13.25 H new ATOM 0 HG12 VAL A 905 -18.669 -9.671 8.147 1.00 13.25 H new ATOM 0 HG13 VAL A 905 -17.280 -8.692 7.621 1.00 13.25 H new ATOM 0 HG21 VAL A 905 -16.109 -8.346 10.410 1.00 9.78 H new ATOM 0 HG22 VAL A 905 -16.281 -7.000 9.258 1.00 9.78 H new ATOM 0 HG23 VAL A 905 -16.992 -6.876 10.885 1.00 9.78 H new ATOM 58 N GLU A 906 -20.844 -7.426 7.409 1.00 8.60 N ATOM 59 CA GLU A 906 -22.091 -8.003 6.923 1.00 9.41 C ATOM 60 C GLU A 906 -21.774 -8.976 5.792 1.00 7.91 C ATOM 61 O GLU A 906 -21.085 -8.579 4.860 1.00 14.55 O ATOM 62 CB GLU A 906 -22.950 -6.899 6.386 1.00 9.26 C ATOM 63 CG GLU A 906 -23.442 -6.044 7.513 1.00 7.92 C ATOM 64 CD GLU A 906 -24.228 -4.862 6.991 1.00 28.31 C ATOM 65 OE1 GLU A 906 -23.622 -3.829 6.733 1.00 26.39 O ATOM 66 OE2 GLU A 906 -25.446 -4.975 6.850 1.00 39.66 O ATOM 0 H GLU A 906 -20.360 -6.847 6.723 1.00 8.60 H new ATOM 0 HA GLU A 906 -22.607 -8.524 7.730 1.00 9.41 H new ATOM 0 HB2 GLU A 906 -22.381 -6.294 5.680 1.00 9.26 H new ATOM 0 HB3 GLU A 906 -23.795 -7.317 5.839 1.00 9.26 H new ATOM 0 HG2 GLU A 906 -24.069 -6.638 8.178 1.00 7.92 H new ATOM 0 HG3 GLU A 906 -22.596 -5.691 8.103 1.00 7.92 H new ATOM 73 N THR A 907 -22.193 -10.239 5.815 1.00 11.40 N ATOM 74 CA THR A 907 -21.827 -11.232 4.810 1.00 9.56 C ATOM 75 C THR A 907 -22.448 -11.046 3.434 1.00 11.24 C ATOM 76 O THR A 907 -23.652 -10.837 3.339 1.00 13.61 O ATOM 77 CB THR A 907 -22.145 -12.591 5.381 1.00 14.22 C ATOM 78 OG1 THR A 907 -21.257 -12.714 6.476 1.00 18.55 O ATOM 79 CG2 THR A 907 -21.906 -13.750 4.436 1.00 18.19 C ATOM 0 H THR A 907 -22.805 -10.606 6.543 1.00 11.40 H new ATOM 0 HA THR A 907 -20.762 -11.111 4.611 1.00 9.56 H new ATOM 0 HB THR A 907 -23.206 -12.643 5.625 1.00 14.22 H new ATOM 0 HG1 THR A 907 -21.396 -13.579 6.914 1.00 18.55 H new ATOM 0 HG21 THR A 907 -22.162 -14.685 4.935 1.00 18.19 H new ATOM 0 HG22 THR A 907 -22.527 -13.630 3.548 1.00 18.19 H new ATOM 0 HG23 THR A 907 -20.856 -13.771 4.144 1.00 18.19 H new ATOM 87 N ILE A 908 -21.647 -11.051 2.365 1.00 10.07 N ATOM 88 CA ILE A 908 -22.184 -11.114 1.018 1.00 9.55 C ATOM 89 C ILE A 908 -22.279 -12.587 0.606 1.00 14.31 C ATOM 90 O ILE A 908 -23.286 -12.988 0.029 1.00 15.11 O ATOM 91 CB ILE A 908 -21.325 -10.236 0.072 1.00 15.34 C ATOM 92 CG1 ILE A 908 -21.391 -8.775 0.515 1.00 8.63 C ATOM 93 CG2 ILE A 908 -21.736 -10.400 -1.396 1.00 4.62 C ATOM 94 CD1 ILE A 908 -20.298 -7.859 -0.082 1.00 11.85 C ATOM 0 H ILE A 908 -20.629 -11.012 2.414 1.00 10.07 H new ATOM 0 HA ILE A 908 -23.192 -10.703 0.961 1.00 9.55 H new ATOM 0 HB ILE A 908 -20.291 -10.574 0.141 1.00 15.34 H new ATOM 0 HG12 ILE A 908 -22.368 -8.373 0.245 1.00 8.63 H new ATOM 0 HG13 ILE A 908 -21.321 -8.738 1.602 1.00 8.63 H new ATOM 0 HG21 ILE A 908 -21.108 -9.767 -2.023 1.00 4.62 H new ATOM 0 HG22 ILE A 908 -21.613 -11.441 -1.694 1.00 4.62 H new ATOM 0 HG23 ILE A 908 -22.779 -10.109 -1.516 1.00 4.62 H new ATOM 0 HD11 ILE A 908 -20.430 -6.844 0.292 1.00 11.85 H new ATOM 0 HD12 ILE A 908 -19.315 -8.228 0.209 1.00 11.85 H new ATOM 0 HD13 ILE A 908 -20.378 -7.858 -1.169 1.00 11.85 H new ATOM 106 N SER A 909 -21.278 -13.429 0.874 1.00 16.77 N ATOM 107 CA SER A 909 -21.288 -14.861 0.574 1.00 22.81 C ATOM 108 C SER A 909 -20.517 -15.531 1.712 1.00 16.94 C ATOM 109 O SER A 909 -19.489 -15.006 2.163 1.00 11.53 O ATOM 110 CB SER A 909 -20.591 -15.185 -0.736 1.00 16.46 C ATOM 111 OG SER A 909 -20.844 -14.175 -1.697 1.00 42.67 O ATOM 0 H SER A 909 -20.413 -13.123 1.319 1.00 16.77 H new ATOM 0 HA SER A 909 -22.317 -15.208 0.482 1.00 22.81 H new ATOM 0 HB2 SER A 909 -19.518 -15.277 -0.570 1.00 16.46 H new ATOM 0 HB3 SER A 909 -20.939 -16.147 -1.111 1.00 16.46 H new ATOM 0 HG SER A 909 -20.387 -14.398 -2.534 1.00 42.67 H new ATOM 117 N PRO A 910 -20.996 -16.629 2.267 1.00 14.85 N ATOM 118 CA PRO A 910 -20.360 -17.291 3.379 1.00 16.28 C ATOM 119 C PRO A 910 -19.037 -17.967 3.043 1.00 15.80 C ATOM 120 O PRO A 910 -18.803 -18.444 1.941 1.00 16.79 O ATOM 121 CB PRO A 910 -21.438 -18.255 3.851 1.00 17.69 C ATOM 122 CG PRO A 910 -22.158 -18.620 2.583 1.00 20.98 C ATOM 123 CD PRO A 910 -22.268 -17.264 1.905 1.00 13.76 C ATOM 0 HA PRO A 910 -20.042 -16.590 4.151 1.00 16.28 H new ATOM 0 HB2 PRO A 910 -21.009 -19.132 4.336 1.00 17.69 H new ATOM 0 HB3 PRO A 910 -22.107 -17.787 4.573 1.00 17.69 H new ATOM 0 HG2 PRO A 910 -21.597 -19.336 1.983 1.00 20.98 H new ATOM 0 HG3 PRO A 910 -23.135 -19.063 2.777 1.00 20.98 H new ATOM 0 HD2 PRO A 910 -22.383 -17.357 0.825 1.00 13.76 H new ATOM 0 HD3 PRO A 910 -23.124 -16.696 2.269 1.00 13.76 H new ATOM 131 N GLY A 911 -18.123 -17.940 3.999 1.00 11.05 N ATOM 132 CA GLY A 911 -16.905 -18.700 3.892 1.00 12.34 C ATOM 133 C GLY A 911 -17.149 -20.094 4.426 1.00 16.73 C ATOM 134 O GLY A 911 -18.285 -20.529 4.620 1.00 24.91 O ATOM 0 H GLY A 911 -18.209 -17.396 4.857 1.00 11.05 H new ATOM 0 HA2 GLY A 911 -16.579 -18.746 2.853 1.00 12.34 H new ATOM 0 HA3 GLY A 911 -16.107 -18.215 4.455 1.00 12.34 H new ATOM 138 N ASP A 912 -16.079 -20.802 4.741 1.00 14.36 N ATOM 139 CA ASP A 912 -16.245 -22.154 5.254 1.00 28.85 C ATOM 140 C ASP A 912 -16.647 -22.241 6.724 1.00 27.10 C ATOM 141 O ASP A 912 -16.839 -23.340 7.239 1.00 20.65 O ATOM 142 CB ASP A 912 -14.990 -22.992 4.982 1.00 23.16 C ATOM 143 CG ASP A 912 -13.736 -22.692 5.791 1.00 17.74 C ATOM 144 OD1 ASP A 912 -13.723 -21.786 6.618 1.00 15.46 O ATOM 145 OD2 ASP A 912 -12.750 -23.386 5.580 1.00 19.20 O ATOM 0 H ASP A 912 -15.115 -20.479 4.656 1.00 14.36 H new ATOM 0 HA ASP A 912 -17.092 -22.566 4.706 1.00 28.85 H new ATOM 0 HB2 ASP A 912 -15.247 -24.039 5.143 1.00 23.16 H new ATOM 0 HB3 ASP A 912 -14.739 -22.884 3.927 1.00 23.16 H new ATOM 150 N GLY A 913 -16.624 -21.120 7.451 1.00 15.02 N ATOM 151 CA GLY A 913 -17.008 -21.081 8.859 1.00 19.67 C ATOM 152 C GLY A 913 -16.061 -21.827 9.790 1.00 16.55 C ATOM 153 O GLY A 913 -16.408 -22.091 10.933 1.00 15.65 O ATOM 0 H GLY A 913 -16.338 -20.215 7.077 1.00 15.02 H new ATOM 0 HA2 GLY A 913 -17.067 -20.040 9.178 1.00 19.67 H new ATOM 0 HA3 GLY A 913 -18.007 -21.503 8.962 1.00 19.67 H new ATOM 157 N ARG A 914 -14.851 -22.166 9.357 1.00 11.39 N ATOM 158 CA ARG A 914 -13.931 -22.976 10.126 1.00 11.95 C ATOM 159 C ARG A 914 -12.528 -22.420 10.107 1.00 10.82 C ATOM 160 O ARG A 914 -11.843 -22.427 11.131 1.00 19.47 O ATOM 161 CB ARG A 914 -13.825 -24.402 9.584 1.00 25.46 C ATOM 162 CG ARG A 914 -15.081 -25.228 9.716 1.00 42.88 C ATOM 163 CD ARG A 914 -14.637 -26.636 10.032 1.00 67.90 C ATOM 164 NE ARG A 914 -15.761 -27.463 10.455 1.00 80.80 N ATOM 165 CZ ARG A 914 -16.007 -27.763 11.746 1.00 94.75 C ATOM 166 NH1 ARG A 914 -15.297 -27.256 12.769 1.00 98.27 N ATOM 167 NH2 ARG A 914 -17.013 -28.598 12.032 1.00 90.34 N ATOM 0 H ARG A 914 -14.483 -21.879 8.450 1.00 11.39 H new ATOM 0 HA ARG A 914 -14.339 -22.971 11.137 1.00 11.95 H new ATOM 0 HB2 ARG A 914 -13.548 -24.355 8.531 1.00 25.46 H new ATOM 0 HB3 ARG A 914 -13.015 -24.913 10.104 1.00 25.46 H new ATOM 0 HG2 ARG A 914 -15.721 -24.837 10.506 1.00 42.88 H new ATOM 0 HG3 ARG A 914 -15.661 -25.202 8.794 1.00 42.88 H new ATOM 0 HD2 ARG A 914 -14.168 -27.078 9.153 1.00 67.90 H new ATOM 0 HD3 ARG A 914 -13.883 -26.614 10.818 1.00 67.90 H new ATOM 0 HE ARG A 914 -16.390 -27.831 9.741 1.00 80.80 H new ATOM 0 HH11 ARG A 914 -14.529 -26.610 12.586 1.00 98.27 H new ATOM 0 HH12 ARG A 914 -15.526 -27.517 13.728 1.00 98.27 H new ATOM 0 HH21 ARG A 914 -17.577 -28.994 11.280 1.00 90.34 H new ATOM 0 HH22 ARG A 914 -17.216 -28.838 13.002 1.00 90.34 H new ATOM 180 N THR A 915 -12.054 -21.967 8.945 1.00 16.37 N ATOM 181 CA THR A 915 -10.699 -21.478 8.746 1.00 20.68 C ATOM 182 C THR A 915 -10.618 -19.963 8.808 1.00 14.00 C ATOM 183 O THR A 915 -10.951 -19.258 7.848 1.00 12.73 O ATOM 184 CB THR A 915 -10.178 -21.988 7.364 1.00 17.19 C ATOM 185 OG1 THR A 915 -10.521 -23.365 7.267 1.00 20.12 O ATOM 186 CG2 THR A 915 -8.696 -21.835 7.244 1.00 14.89 C ATOM 0 H THR A 915 -12.621 -21.931 8.098 1.00 16.37 H new ATOM 0 HA THR A 915 -10.076 -21.861 9.554 1.00 20.68 H new ATOM 0 HB THR A 915 -10.631 -21.402 6.564 1.00 17.19 H new ATOM 0 HG1 THR A 915 -11.305 -23.467 6.687 1.00 20.12 H new ATOM 0 HG21 THR A 915 -8.370 -22.200 6.270 1.00 14.89 H new ATOM 0 HG22 THR A 915 -8.429 -20.783 7.345 1.00 14.89 H new ATOM 0 HG23 THR A 915 -8.206 -22.410 8.030 1.00 14.89 H new ATOM 194 N PHE A 916 -10.121 -19.487 9.933 1.00 12.81 N ATOM 195 CA PHE A 916 -10.048 -18.069 10.214 1.00 7.88 C ATOM 196 C PHE A 916 -8.591 -17.665 10.262 1.00 18.25 C ATOM 197 O PHE A 916 -7.810 -18.528 10.678 1.00 22.03 O ATOM 198 CB PHE A 916 -10.692 -17.781 11.583 1.00 11.94 C ATOM 199 CG PHE A 916 -12.204 -17.954 11.601 1.00 11.45 C ATOM 200 CD1 PHE A 916 -12.775 -19.201 11.847 1.00 9.87 C ATOM 201 CD2 PHE A 916 -13.017 -16.859 11.368 1.00 11.12 C ATOM 202 CE1 PHE A 916 -14.143 -19.359 11.841 1.00 7.22 C ATOM 203 CE2 PHE A 916 -14.392 -17.037 11.335 1.00 10.85 C ATOM 204 CZ PHE A 916 -14.952 -18.282 11.562 1.00 10.98 C ATOM 0 H PHE A 916 -9.755 -20.077 10.680 1.00 12.81 H new ATOM 0 HA PHE A 916 -10.574 -17.510 9.441 1.00 7.88 H new ATOM 0 HB2 PHE A 916 -10.251 -18.444 12.328 1.00 11.94 H new ATOM 0 HB3 PHE A 916 -10.449 -16.761 11.881 1.00 11.94 H new ATOM 0 HD1 PHE A 916 -12.139 -20.051 12.044 1.00 9.87 H new ATOM 0 HD2 PHE A 916 -12.587 -15.880 11.214 1.00 11.12 H new ATOM 0 HE1 PHE A 916 -14.579 -20.324 12.054 1.00 7.22 H new ATOM 0 HE2 PHE A 916 -15.034 -16.193 11.130 1.00 10.85 H new ATOM 0 HZ PHE A 916 -16.024 -18.408 11.520 1.00 10.98 H new ATOM 214 N PRO A 917 -8.163 -16.446 9.892 1.00 13.24 N ATOM 215 CA PRO A 917 -6.773 -16.023 9.961 1.00 16.94 C ATOM 216 C PRO A 917 -6.261 -16.040 11.395 1.00 27.68 C ATOM 217 O PRO A 917 -6.990 -15.807 12.370 1.00 18.36 O ATOM 218 CB PRO A 917 -6.799 -14.604 9.427 1.00 11.36 C ATOM 219 CG PRO A 917 -8.102 -14.431 8.706 1.00 13.31 C ATOM 220 CD PRO A 917 -9.018 -15.324 9.505 1.00 17.07 C ATOM 0 HA PRO A 917 -6.112 -16.681 9.398 1.00 16.94 H new ATOM 0 HB2 PRO A 917 -6.710 -13.884 10.241 1.00 11.36 H new ATOM 0 HB3 PRO A 917 -5.960 -14.430 8.754 1.00 11.36 H new ATOM 0 HG2 PRO A 917 -8.437 -13.394 8.710 1.00 13.31 H new ATOM 0 HG3 PRO A 917 -8.036 -14.741 7.663 1.00 13.31 H new ATOM 0 HD2 PRO A 917 -9.419 -14.808 10.377 1.00 17.07 H new ATOM 0 HD3 PRO A 917 -9.870 -15.656 8.912 1.00 17.07 H new ATOM 228 N LYS A 918 -4.986 -16.373 11.517 1.00 17.83 N ATOM 229 CA LYS A 918 -4.244 -16.257 12.748 1.00 24.33 C ATOM 230 C LYS A 918 -3.335 -15.028 12.578 1.00 27.42 C ATOM 231 O LYS A 918 -2.981 -14.587 11.475 1.00 25.81 O ATOM 232 CB LYS A 918 -3.448 -17.556 12.918 1.00 20.44 C ATOM 233 CG LYS A 918 -2.767 -17.739 14.255 1.00 73.40 C ATOM 234 CD LYS A 918 -1.776 -18.903 14.263 1.00 83.60 C ATOM 235 CE LYS A 918 -0.984 -18.842 15.577 1.00 79.68 C ATOM 236 NZ LYS A 918 -0.182 -20.031 15.815 1.00 88.66 N ATOM 0 H LYS A 918 -4.432 -16.739 10.742 1.00 17.83 H new ATOM 0 HA LYS A 918 -4.863 -16.123 13.635 1.00 24.33 H new ATOM 0 HB2 LYS A 918 -4.122 -18.397 12.757 1.00 20.44 H new ATOM 0 HB3 LYS A 918 -2.690 -17.601 12.136 1.00 20.44 H new ATOM 0 HG2 LYS A 918 -2.243 -16.820 14.519 1.00 73.40 H new ATOM 0 HG3 LYS A 918 -3.523 -17.907 15.022 1.00 73.40 H new ATOM 0 HD2 LYS A 918 -2.303 -19.853 14.180 1.00 83.60 H new ATOM 0 HD3 LYS A 918 -1.103 -18.836 13.409 1.00 83.60 H new ATOM 0 HE2 LYS A 918 -0.332 -17.969 15.561 1.00 79.68 H new ATOM 0 HE3 LYS A 918 -1.678 -18.707 16.407 1.00 79.68 H new ATOM 0 HZ1 LYS A 918 0.329 -19.931 16.715 1.00 88.66 H new ATOM 0 HZ2 LYS A 918 -0.802 -20.865 15.860 1.00 88.66 H new ATOM 0 HZ3 LYS A 918 0.502 -20.149 15.040 1.00 88.66 H new ATOM 249 N ARG A 919 -2.994 -14.408 13.709 1.00 23.19 N ATOM 250 CA ARG A 919 -2.001 -13.352 13.776 1.00 25.30 C ATOM 251 C ARG A 919 -0.716 -13.871 13.155 1.00 20.31 C ATOM 252 O ARG A 919 -0.284 -15.004 13.415 1.00 26.79 O ATOM 253 CB ARG A 919 -1.741 -13.066 15.249 1.00 36.42 C ATOM 254 CG ARG A 919 -1.828 -11.611 15.677 1.00 61.98 C ATOM 255 CD ARG A 919 -3.254 -11.078 15.663 1.00 70.36 C ATOM 256 NE ARG A 919 -4.132 -11.776 16.599 1.00 91.69 N ATOM 257 CZ ARG A 919 -5.469 -11.732 16.473 1.00 99.06 C ATOM 258 NH1 ARG A 919 -6.063 -11.113 15.444 1.00 87.08 N ATOM 259 NH2 ARG A 919 -6.241 -12.336 17.380 1.00 91.74 N ATOM 0 H ARG A 919 -3.410 -14.634 14.613 1.00 23.19 H new ATOM 0 HA ARG A 919 -2.339 -12.456 13.255 1.00 25.30 H new ATOM 0 HB2 ARG A 919 -2.455 -13.640 15.840 1.00 36.42 H new ATOM 0 HB3 ARG A 919 -0.747 -13.438 15.500 1.00 36.42 H new ATOM 0 HG2 ARG A 919 -1.415 -11.507 16.680 1.00 61.98 H new ATOM 0 HG3 ARG A 919 -1.211 -11.004 15.014 1.00 61.98 H new ATOM 0 HD2 ARG A 919 -3.242 -10.016 15.908 1.00 70.36 H new ATOM 0 HD3 ARG A 919 -3.660 -11.168 14.656 1.00 70.36 H new ATOM 0 HE ARG A 919 -3.721 -12.309 17.365 1.00 91.69 H new ATOM 0 HH11 ARG A 919 -5.498 -10.657 14.728 1.00 87.08 H new ATOM 0 HH12 ARG A 919 -7.081 -11.097 15.377 1.00 87.08 H new ATOM 0 HH21 ARG A 919 -5.815 -12.829 18.165 1.00 91.74 H new ATOM 0 HH22 ARG A 919 -7.256 -12.305 17.288 1.00 91.74 H new ATOM 272 N GLY A 920 -0.146 -13.053 12.291 1.00 28.49 N ATOM 273 CA GLY A 920 1.076 -13.430 11.620 1.00 22.19 C ATOM 274 C GLY A 920 0.821 -14.146 10.301 1.00 24.43 C ATOM 275 O GLY A 920 1.754 -14.261 9.505 1.00 27.40 O ATOM 0 H GLY A 920 -0.508 -12.133 12.041 1.00 28.49 H new ATOM 0 HA2 GLY A 920 1.675 -12.538 11.436 1.00 22.19 H new ATOM 0 HA3 GLY A 920 1.661 -14.077 12.274 1.00 22.19 H new ATOM 279 N GLN A 921 -0.386 -14.619 9.994 1.00 20.21 N ATOM 280 CA GLN A 921 -0.619 -15.208 8.687 1.00 22.26 C ATOM 281 C GLN A 921 -0.819 -14.117 7.664 1.00 19.19 C ATOM 282 O GLN A 921 -1.324 -13.032 7.994 1.00 24.35 O ATOM 283 CB GLN A 921 -1.866 -16.054 8.637 1.00 16.69 C ATOM 284 CG GLN A 921 -1.674 -17.340 9.365 1.00 32.77 C ATOM 285 CD GLN A 921 -2.802 -18.289 9.052 1.00 32.00 C ATOM 286 OE1 GLN A 921 -3.905 -18.199 9.591 1.00 30.66 O ATOM 287 NE2 GLN A 921 -2.548 -19.209 8.139 1.00 35.54 N ATOM 0 H GLN A 921 -1.194 -14.605 10.616 1.00 20.21 H new ATOM 0 HA GLN A 921 0.254 -15.828 8.481 1.00 22.26 H new ATOM 0 HB2 GLN A 921 -2.699 -15.505 9.076 1.00 16.69 H new ATOM 0 HB3 GLN A 921 -2.130 -16.257 7.599 1.00 16.69 H new ATOM 0 HG2 GLN A 921 -0.722 -17.789 9.081 1.00 32.77 H new ATOM 0 HG3 GLN A 921 -1.631 -17.156 10.438 1.00 32.77 H new ATOM 0 HE21 GLN A 921 -1.624 -19.260 7.709 1.00 35.54 H new ATOM 0 HE22 GLN A 921 -3.276 -19.869 7.864 1.00 35.54 H new ATOM 296 N THR A 922 -0.459 -14.452 6.431 1.00 12.61 N ATOM 297 CA THR A 922 -0.741 -13.635 5.267 1.00 14.09 C ATOM 298 C THR A 922 -2.150 -13.932 4.779 1.00 12.40 C ATOM 299 O THR A 922 -2.499 -15.063 4.424 1.00 17.06 O ATOM 300 CB THR A 922 0.292 -13.949 4.145 1.00 17.25 C ATOM 301 OG1 THR A 922 1.531 -13.575 4.740 1.00 23.17 O ATOM 302 CG2 THR A 922 0.086 -13.182 2.830 1.00 11.48 C ATOM 0 H THR A 922 0.044 -15.312 6.213 1.00 12.61 H new ATOM 0 HA THR A 922 -0.665 -12.580 5.529 1.00 14.09 H new ATOM 0 HB THR A 922 0.214 -14.992 3.839 1.00 17.25 H new ATOM 0 HG1 THR A 922 2.261 -13.737 4.106 1.00 23.17 H new ATOM 0 HG21 THR A 922 0.856 -13.472 2.115 1.00 11.48 H new ATOM 0 HG22 THR A 922 -0.896 -13.419 2.421 1.00 11.48 H new ATOM 0 HG23 THR A 922 0.152 -12.111 3.020 1.00 11.48 H new ATOM 310 N CYS A 923 -2.978 -12.905 4.757 1.00 13.20 N ATOM 311 CA CYS A 923 -4.307 -13.012 4.163 1.00 13.95 C ATOM 312 C CYS A 923 -4.207 -12.545 2.718 1.00 13.08 C ATOM 313 O CYS A 923 -3.559 -11.507 2.435 1.00 15.66 O ATOM 314 CB CYS A 923 -5.247 -12.093 4.918 1.00 10.31 C ATOM 315 SG CYS A 923 -5.215 -12.519 6.669 1.00 17.72 S ATOM 0 H CYS A 923 -2.759 -11.986 5.142 1.00 13.20 H new ATOM 0 HA CYS A 923 -4.677 -14.036 4.209 1.00 13.95 H new ATOM 0 HB2 CYS A 923 -4.948 -11.054 4.779 1.00 10.31 H new ATOM 0 HB3 CYS A 923 -6.260 -12.189 4.527 1.00 10.31 H new ATOM 0 HG CYS A 923 -6.018 -11.732 7.322 1.00 17.72 H new ATOM 321 N VAL A 924 -4.832 -13.310 1.812 1.00 11.74 N ATOM 322 CA VAL A 924 -4.880 -12.961 0.391 1.00 8.67 C ATOM 323 C VAL A 924 -6.329 -12.589 0.088 1.00 9.34 C ATOM 324 O VAL A 924 -7.233 -13.407 0.278 1.00 13.93 O ATOM 325 CB VAL A 924 -4.440 -14.142 -0.503 1.00 12.47 C ATOM 326 CG1 VAL A 924 -4.236 -13.673 -1.940 1.00 14.36 C ATOM 327 CG2 VAL A 924 -3.156 -14.729 0.013 1.00 13.59 C ATOM 0 H VAL A 924 -5.313 -14.179 2.043 1.00 11.74 H new ATOM 0 HA VAL A 924 -4.196 -12.139 0.181 1.00 8.67 H new ATOM 0 HB VAL A 924 -5.223 -14.900 -0.480 1.00 12.47 H new ATOM 0 HG11 VAL A 924 -3.926 -14.516 -2.557 1.00 14.36 H new ATOM 0 HG12 VAL A 924 -5.170 -13.265 -2.326 1.00 14.36 H new ATOM 0 HG13 VAL A 924 -3.466 -12.902 -1.965 1.00 14.36 H new ATOM 0 HG21 VAL A 924 -2.854 -15.561 -0.624 1.00 13.59 H new ATOM 0 HG22 VAL A 924 -2.378 -13.966 0.006 1.00 13.59 H new ATOM 0 HG23 VAL A 924 -3.303 -15.087 1.032 1.00 13.59 H new ATOM 337 N VAL A 925 -6.584 -11.348 -0.337 1.00 9.59 N ATOM 338 CA VAL A 925 -7.943 -10.832 -0.469 1.00 9.14 C ATOM 339 C VAL A 925 -8.162 -10.121 -1.793 1.00 10.95 C ATOM 340 O VAL A 925 -7.202 -9.665 -2.421 1.00 11.27 O ATOM 341 CB VAL A 925 -8.317 -9.812 0.633 1.00 8.47 C ATOM 342 CG1 VAL A 925 -8.179 -10.436 2.016 1.00 9.52 C ATOM 343 CG2 VAL A 925 -7.549 -8.493 0.532 1.00 8.56 C ATOM 0 H VAL A 925 -5.858 -10.680 -0.597 1.00 9.59 H new ATOM 0 HA VAL A 925 -8.569 -11.721 -0.389 1.00 9.14 H new ATOM 0 HB VAL A 925 -9.363 -9.553 0.470 1.00 8.47 H new ATOM 0 HG11 VAL A 925 -8.447 -9.701 2.775 1.00 9.52 H new ATOM 0 HG12 VAL A 925 -8.843 -11.297 2.094 1.00 9.52 H new ATOM 0 HG13 VAL A 925 -7.149 -10.757 2.169 1.00 9.52 H new ATOM 0 HG21 VAL A 925 -7.862 -7.827 1.336 1.00 8.56 H new ATOM 0 HG22 VAL A 925 -6.480 -8.687 0.618 1.00 8.56 H new ATOM 0 HG23 VAL A 925 -7.757 -8.024 -0.430 1.00 8.56 H new ATOM 353 N HIS A 926 -9.407 -10.011 -2.243 1.00 9.36 N ATOM 354 CA HIS A 926 -9.759 -8.987 -3.216 1.00 9.60 C ATOM 355 C HIS A 926 -10.602 -7.946 -2.524 1.00 5.10 C ATOM 356 O HIS A 926 -11.381 -8.303 -1.639 1.00 9.82 O ATOM 357 CB HIS A 926 -10.538 -9.529 -4.403 1.00 10.47 C ATOM 358 CG HIS A 926 -9.627 -9.792 -5.590 1.00 16.45 C ATOM 359 ND1 HIS A 926 -8.761 -8.885 -6.026 1.00 14.62 N ATOM 360 CD2 HIS A 926 -9.654 -10.928 -6.345 1.00 17.08 C ATOM 361 CE1 HIS A 926 -8.238 -9.450 -7.097 1.00 20.93 C ATOM 362 NE2 HIS A 926 -8.780 -10.644 -7.280 1.00 20.18 N ATOM 0 H HIS A 926 -10.180 -10.611 -1.953 1.00 9.36 H new ATOM 0 HA HIS A 926 -8.829 -8.573 -3.604 1.00 9.60 H new ATOM 0 HB2 HIS A 926 -11.043 -10.452 -4.118 1.00 10.47 H new ATOM 0 HB3 HIS A 926 -11.313 -8.817 -4.688 1.00 10.47 H new ATOM 0 HD2 HIS A 926 -10.241 -11.825 -6.208 1.00 17.08 H new ATOM 0 HE1 HIS A 926 -7.483 -9.006 -7.729 1.00 20.93 H new ATOM 0 HE2 HIS A 926 -8.546 -11.266 -8.053 1.00 20.18 H new ATOM 370 N TYR A 927 -10.455 -6.670 -2.886 1.00 8.15 N ATOM 371 CA TYR A 927 -11.251 -5.622 -2.286 1.00 5.33 C ATOM 372 C TYR A 927 -11.627 -4.535 -3.283 1.00 10.06 C ATOM 373 O TYR A 927 -10.971 -4.348 -4.311 1.00 9.71 O ATOM 374 CB TYR A 927 -10.549 -5.011 -1.051 1.00 6.71 C ATOM 375 CG TYR A 927 -9.376 -4.090 -1.382 1.00 6.72 C ATOM 376 CD1 TYR A 927 -8.124 -4.656 -1.499 1.00 14.55 C ATOM 377 CD2 TYR A 927 -9.568 -2.726 -1.586 1.00 5.79 C ATOM 378 CE1 TYR A 927 -7.053 -3.860 -1.835 1.00 8.62 C ATOM 379 CE2 TYR A 927 -8.502 -1.923 -1.926 1.00 13.96 C ATOM 380 CZ TYR A 927 -7.249 -2.512 -2.054 1.00 13.12 C ATOM 381 OH TYR A 927 -6.162 -1.756 -2.410 1.00 11.19 O ATOM 0 H TYR A 927 -9.791 -6.348 -3.591 1.00 8.15 H new ATOM 0 HA TYR A 927 -12.177 -6.092 -1.954 1.00 5.33 H new ATOM 0 HB2 TYR A 927 -11.283 -4.451 -0.472 1.00 6.71 H new ATOM 0 HB3 TYR A 927 -10.191 -5.820 -0.415 1.00 6.71 H new ATOM 0 HD1 TYR A 927 -7.985 -5.713 -1.329 1.00 14.55 H new ATOM 0 HD2 TYR A 927 -10.553 -2.298 -1.478 1.00 5.79 H new ATOM 0 HE1 TYR A 927 -6.066 -4.288 -1.927 1.00 8.62 H new ATOM 0 HE2 TYR A 927 -8.636 -0.864 -2.089 1.00 13.96 H new ATOM 0 HH TYR A 927 -6.444 -0.831 -2.566 1.00 11.19 H new ATOM 391 N THR A 928 -12.731 -3.855 -2.959 1.00 12.99 N ATOM 392 CA THR A 928 -13.180 -2.594 -3.550 1.00 7.71 C ATOM 393 C THR A 928 -13.450 -1.695 -2.349 1.00 11.95 C ATOM 394 O THR A 928 -14.084 -2.131 -1.383 1.00 11.60 O ATOM 395 CB THR A 928 -14.472 -2.786 -4.392 1.00 11.34 C ATOM 396 OG1 THR A 928 -14.061 -3.650 -5.436 1.00 14.19 O ATOM 397 CG2 THR A 928 -15.122 -1.499 -4.880 1.00 11.50 C ATOM 0 H THR A 928 -13.369 -4.189 -2.237 1.00 12.99 H new ATOM 0 HA THR A 928 -12.441 -2.177 -4.235 1.00 7.71 H new ATOM 0 HB THR A 928 -15.280 -3.204 -3.792 1.00 11.34 H new ATOM 0 HG1 THR A 928 -14.821 -3.833 -6.028 1.00 14.19 H new ATOM 0 HG21 THR A 928 -16.015 -1.739 -5.457 1.00 11.50 H new ATOM 0 HG22 THR A 928 -15.398 -0.883 -4.024 1.00 11.50 H new ATOM 0 HG23 THR A 928 -14.419 -0.952 -5.509 1.00 11.50 H new ATOM 405 N GLY A 929 -12.952 -0.467 -2.374 1.00 8.64 N ATOM 406 CA GLY A 929 -13.190 0.496 -1.323 1.00 9.01 C ATOM 407 C GLY A 929 -13.947 1.702 -1.869 1.00 15.91 C ATOM 408 O GLY A 929 -13.687 2.173 -2.973 1.00 10.99 O ATOM 0 H GLY A 929 -12.368 -0.114 -3.132 1.00 8.64 H new ATOM 0 HA2 GLY A 929 -13.762 0.033 -0.519 1.00 9.01 H new ATOM 0 HA3 GLY A 929 -12.241 0.818 -0.894 1.00 9.01 H new ATOM 412 N MET A 930 -14.865 2.236 -1.078 1.00 12.93 N ATOM 413 CA MET A 930 -15.572 3.462 -1.412 1.00 11.46 C ATOM 414 C MET A 930 -15.867 4.238 -0.136 1.00 8.02 C ATOM 415 O MET A 930 -15.820 3.704 0.984 1.00 12.78 O ATOM 416 CB MET A 930 -16.867 3.163 -2.195 1.00 12.38 C ATOM 417 CG MET A 930 -17.947 2.515 -1.390 1.00 17.40 C ATOM 418 SD MET A 930 -19.432 2.031 -2.294 1.00 21.98 S ATOM 419 CE MET A 930 -20.403 3.290 -1.533 1.00 33.26 C ATOM 0 H MET A 930 -15.141 1.830 -0.184 1.00 12.93 H new ATOM 0 HA MET A 930 -14.940 4.071 -2.059 1.00 11.46 H new ATOM 0 HB2 MET A 930 -17.250 4.096 -2.607 1.00 12.38 H new ATOM 0 HB3 MET A 930 -16.624 2.517 -3.039 1.00 12.38 H new ATOM 0 HG2 MET A 930 -17.532 1.628 -0.912 1.00 17.40 H new ATOM 0 HG3 MET A 930 -18.238 3.200 -0.594 1.00 17.40 H new ATOM 0 HE1 MET A 930 -21.399 3.298 -1.975 1.00 33.26 H new ATOM 0 HE2 MET A 930 -20.482 3.092 -0.464 1.00 33.26 H new ATOM 0 HE3 MET A 930 -19.929 4.259 -1.689 1.00 33.26 H new ATOM 429 N LEU A 931 -16.068 5.542 -0.301 1.00 16.97 N ATOM 430 CA LEU A 931 -16.504 6.399 0.800 1.00 14.92 C ATOM 431 C LEU A 931 -17.989 6.114 1.039 1.00 20.11 C ATOM 432 O LEU A 931 -18.682 5.855 0.048 1.00 15.50 O ATOM 433 CB LEU A 931 -16.288 7.847 0.385 1.00 16.10 C ATOM 434 CG LEU A 931 -14.873 8.345 0.039 1.00 20.40 C ATOM 435 CD1 LEU A 931 -14.967 9.780 -0.454 1.00 36.95 C ATOM 436 CD2 LEU A 931 -13.996 8.313 1.267 1.00 22.00 C ATOM 0 H LEU A 931 -15.936 6.030 -1.187 1.00 16.97 H new ATOM 0 HA LEU A 931 -15.946 6.210 1.717 1.00 14.92 H new ATOM 0 HB2 LEU A 931 -16.919 8.033 -0.484 1.00 16.10 H new ATOM 0 HB3 LEU A 931 -16.665 8.475 1.192 1.00 16.10 H new ATOM 0 HG LEU A 931 -14.443 7.701 -0.728 1.00 20.40 H new ATOM 0 HD11 LEU A 931 -13.971 10.145 -0.703 1.00 36.95 H new ATOM 0 HD12 LEU A 931 -15.600 9.819 -1.341 1.00 36.95 H new ATOM 0 HD13 LEU A 931 -15.398 10.406 0.327 1.00 36.95 H new ATOM 0 HD21 LEU A 931 -12.998 8.667 1.010 1.00 22.00 H new ATOM 0 HD22 LEU A 931 -14.423 8.957 2.036 1.00 22.00 H new ATOM 0 HD23 LEU A 931 -13.933 7.292 1.643 1.00 22.00 H new ATOM 448 N GLU A 932 -18.493 6.099 2.285 1.00 19.84 N ATOM 449 CA GLU A 932 -19.900 5.814 2.567 1.00 30.77 C ATOM 450 C GLU A 932 -20.777 6.773 1.785 1.00 23.77 C ATOM 451 O GLU A 932 -20.620 7.982 1.909 1.00 40.64 O ATOM 452 CB GLU A 932 -20.259 5.969 4.035 1.00 21.80 C ATOM 453 CG GLU A 932 -21.699 5.497 4.279 1.00 32.10 C ATOM 454 CD GLU A 932 -22.040 5.077 5.708 1.00 69.47 C ATOM 455 OE1 GLU A 932 -22.187 5.911 6.596 1.00 72.56 O ATOM 456 OE2 GLU A 932 -22.103 3.876 5.955 1.00 61.02 O ATOM 0 H GLU A 932 -17.934 6.284 3.118 1.00 19.84 H new ATOM 0 HA GLU A 932 -20.064 4.776 2.279 1.00 30.77 H new ATOM 0 HB2 GLU A 932 -19.569 5.390 4.649 1.00 21.80 H new ATOM 0 HB3 GLU A 932 -20.154 7.012 4.335 1.00 21.80 H new ATOM 0 HG2 GLU A 932 -22.376 6.300 3.987 1.00 32.10 H new ATOM 0 HG3 GLU A 932 -21.900 4.654 3.617 1.00 32.10 H new ATOM 463 N ASP A 933 -21.622 6.188 0.929 1.00 31.32 N ATOM 464 CA ASP A 933 -22.440 6.921 -0.037 1.00 55.76 C ATOM 465 C ASP A 933 -21.700 7.952 -0.884 1.00 36.62 C ATOM 466 O ASP A 933 -22.124 9.086 -1.135 1.00 49.81 O ATOM 467 CB ASP A 933 -23.710 7.479 0.624 1.00 57.01 C ATOM 468 CG ASP A 933 -24.606 6.371 1.175 1.00 64.95 C ATOM 469 OD1 ASP A 933 -24.742 5.320 0.539 1.00 71.74 O ATOM 470 OD2 ASP A 933 -25.165 6.560 2.256 1.00 71.59 O ATOM 0 H ASP A 933 -21.757 5.178 0.889 1.00 31.32 H new ATOM 0 HA ASP A 933 -22.741 6.179 -0.776 1.00 55.76 H new ATOM 0 HB2 ASP A 933 -23.430 8.154 1.433 1.00 57.01 H new ATOM 0 HB3 ASP A 933 -24.268 8.068 -0.104 1.00 57.01 H new ATOM 475 N GLY A 934 -20.559 7.470 -1.360 1.00 48.70 N ATOM 476 CA GLY A 934 -19.645 8.289 -2.110 1.00 34.41 C ATOM 477 C GLY A 934 -18.883 7.459 -3.135 1.00 34.23 C ATOM 478 O GLY A 934 -19.284 6.374 -3.580 1.00 27.91 O ATOM 0 H GLY A 934 -20.252 6.506 -1.233 1.00 48.70 H new ATOM 0 HA2 GLY A 934 -20.194 9.083 -2.616 1.00 34.41 H new ATOM 0 HA3 GLY A 934 -18.941 8.770 -1.431 1.00 34.41 H new ATOM 482 N LYS A 935 -17.724 8.036 -3.447 1.00 30.73 N ATOM 483 CA LYS A 935 -16.886 7.623 -4.556 1.00 29.07 C ATOM 484 C LYS A 935 -16.181 6.304 -4.238 1.00 15.38 C ATOM 485 O LYS A 935 -15.713 6.116 -3.107 1.00 17.31 O ATOM 486 CB LYS A 935 -15.886 8.764 -4.726 1.00 28.79 C ATOM 487 CG LYS A 935 -15.330 9.002 -6.113 1.00 59.76 C ATOM 488 CD LYS A 935 -14.717 10.389 -6.068 1.00 72.83 C ATOM 489 CE LYS A 935 -14.047 10.759 -7.386 1.00 77.19 C ATOM 490 NZ LYS A 935 -13.423 12.073 -7.293 1.00 83.47 N ATOM 0 H LYS A 935 -17.339 8.820 -2.920 1.00 30.73 H new ATOM 0 HA LYS A 935 -17.456 7.444 -5.468 1.00 29.07 H new ATOM 0 HB2 LYS A 935 -16.365 9.684 -4.393 1.00 28.79 H new ATOM 0 HB3 LYS A 935 -15.048 8.580 -4.054 1.00 28.79 H new ATOM 0 HG2 LYS A 935 -14.584 8.251 -6.371 1.00 59.76 H new ATOM 0 HG3 LYS A 935 -16.115 8.944 -6.867 1.00 59.76 H new ATOM 0 HD2 LYS A 935 -15.491 11.120 -5.837 1.00 72.83 H new ATOM 0 HD3 LYS A 935 -13.984 10.436 -5.263 1.00 72.83 H new ATOM 0 HE2 LYS A 935 -13.296 10.011 -7.641 1.00 77.19 H new ATOM 0 HE3 LYS A 935 -14.785 10.757 -8.188 1.00 77.19 H new ATOM 0 HZ1 LYS A 935 -12.972 12.308 -8.200 1.00 83.47 H new ATOM 0 HZ2 LYS A 935 -14.147 12.786 -7.071 1.00 83.47 H new ATOM 0 HZ3 LYS A 935 -12.705 12.064 -6.541 1.00 83.47 H new ATOM 503 N LYS A 936 -16.150 5.363 -5.186 1.00 19.66 N ATOM 504 CA LYS A 936 -15.168 4.282 -5.151 1.00 18.14 C ATOM 505 C LYS A 936 -13.787 4.882 -5.367 1.00 23.43 C ATOM 506 O LYS A 936 -13.574 5.677 -6.281 1.00 34.44 O ATOM 507 CB LYS A 936 -15.474 3.261 -6.211 1.00 14.74 C ATOM 508 CG LYS A 936 -14.352 2.252 -6.444 1.00 41.82 C ATOM 509 CD LYS A 936 -14.554 1.624 -7.821 1.00 73.09 C ATOM 510 CE LYS A 936 -13.430 0.702 -8.260 1.00 53.04 C ATOM 511 NZ LYS A 936 -12.330 1.501 -8.755 1.00 53.35 N ATOM 0 H LYS A 936 -16.789 5.330 -5.980 1.00 19.66 H new ATOM 0 HA LYS A 936 -15.204 3.777 -4.185 1.00 18.14 H new ATOM 0 HB2 LYS A 936 -16.380 2.723 -5.932 1.00 14.74 H new ATOM 0 HB3 LYS A 936 -15.685 3.777 -7.148 1.00 14.74 H new ATOM 0 HG2 LYS A 936 -13.381 2.744 -6.389 1.00 41.82 H new ATOM 0 HG3 LYS A 936 -14.364 1.484 -5.670 1.00 41.82 H new ATOM 0 HD2 LYS A 936 -15.488 1.062 -7.817 1.00 73.09 H new ATOM 0 HD3 LYS A 936 -14.664 2.420 -8.558 1.00 73.09 H new ATOM 0 HE2 LYS A 936 -13.101 0.085 -7.424 1.00 53.04 H new ATOM 0 HE3 LYS A 936 -13.782 0.023 -9.037 1.00 53.04 H new ATOM 0 HZ1 LYS A 936 -11.681 0.898 -9.300 1.00 53.35 H new ATOM 0 HZ2 LYS A 936 -12.698 2.256 -9.368 1.00 53.35 H new ATOM 0 HZ3 LYS A 936 -11.820 1.924 -7.953 1.00 53.35 H new ATOM 524 N PHE A 937 -12.859 4.534 -4.486 1.00 20.64 N ATOM 525 CA PHE A 937 -11.531 5.089 -4.570 1.00 13.73 C ATOM 526 C PHE A 937 -10.506 4.011 -4.912 1.00 20.97 C ATOM 527 O PHE A 937 -9.398 4.361 -5.313 1.00 19.29 O ATOM 528 CB PHE A 937 -11.156 5.864 -3.276 1.00 11.07 C ATOM 529 CG PHE A 937 -11.182 5.063 -1.987 1.00 14.52 C ATOM 530 CD1 PHE A 937 -10.164 4.175 -1.669 1.00 14.79 C ATOM 531 CD2 PHE A 937 -12.270 5.206 -1.145 1.00 15.57 C ATOM 532 CE1 PHE A 937 -10.272 3.404 -0.523 1.00 9.39 C ATOM 533 CE2 PHE A 937 -12.356 4.443 0.001 1.00 12.97 C ATOM 534 CZ PHE A 937 -11.370 3.532 0.304 1.00 9.22 C ATOM 0 H PHE A 937 -13.005 3.879 -3.718 1.00 20.64 H new ATOM 0 HA PHE A 937 -11.521 5.813 -5.385 1.00 13.73 H new ATOM 0 HB2 PHE A 937 -10.156 6.279 -3.402 1.00 11.07 H new ATOM 0 HB3 PHE A 937 -11.840 6.706 -3.170 1.00 11.07 H new ATOM 0 HD1 PHE A 937 -9.298 4.086 -2.308 1.00 14.79 H new ATOM 0 HD2 PHE A 937 -13.050 5.913 -1.384 1.00 15.57 H new ATOM 0 HE1 PHE A 937 -9.493 2.699 -0.275 1.00 9.39 H new ATOM 0 HE2 PHE A 937 -13.201 4.561 0.663 1.00 12.97 H new ATOM 0 HZ PHE A 937 -11.455 2.918 1.188 1.00 9.22 H new ATOM 544 N ASP A 938 -10.775 2.701 -4.747 1.00 16.37 N ATOM 545 CA ASP A 938 -9.779 1.673 -5.067 1.00 22.26 C ATOM 546 C ASP A 938 -10.379 0.280 -5.232 1.00 19.09 C ATOM 547 O ASP A 938 -11.432 0.002 -4.662 1.00 11.13 O ATOM 548 CB ASP A 938 -8.682 1.647 -3.996 1.00 10.58 C ATOM 549 CG ASP A 938 -7.423 0.876 -4.369 1.00 13.87 C ATOM 550 OD1 ASP A 938 -7.176 0.626 -5.540 1.00 20.82 O ATOM 551 OD2 ASP A 938 -6.672 0.517 -3.478 1.00 16.84 O ATOM 0 H ASP A 938 -11.662 2.338 -4.399 1.00 16.37 H new ATOM 0 HA ASP A 938 -9.353 1.947 -6.032 1.00 22.26 H new ATOM 0 HB2 ASP A 938 -8.402 2.674 -3.761 1.00 10.58 H new ATOM 0 HB3 ASP A 938 -9.097 1.214 -3.086 1.00 10.58 H new ATOM 556 N SER A 939 -9.785 -0.600 -6.037 1.00 12.66 N ATOM 557 CA SER A 939 -10.219 -1.962 -6.147 1.00 17.76 C ATOM 558 C SER A 939 -9.033 -2.753 -6.637 1.00 19.03 C ATOM 559 O SER A 939 -8.454 -2.417 -7.668 1.00 23.31 O ATOM 560 CB SER A 939 -11.295 -2.089 -7.194 1.00 15.16 C ATOM 561 OG SER A 939 -11.708 -3.431 -7.359 1.00 19.65 O ATOM 0 H SER A 939 -8.986 -0.371 -6.628 1.00 12.66 H new ATOM 0 HA SER A 939 -10.601 -2.309 -5.187 1.00 17.76 H new ATOM 0 HB2 SER A 939 -12.151 -1.477 -6.912 1.00 15.16 H new ATOM 0 HB3 SER A 939 -10.926 -1.702 -8.144 1.00 15.16 H new ATOM 0 HG SER A 939 -12.473 -3.612 -6.774 1.00 19.65 H new ATOM 567 N SER A 940 -8.707 -3.837 -5.951 1.00 12.37 N ATOM 568 CA SER A 940 -7.690 -4.732 -6.448 1.00 14.57 C ATOM 569 C SER A 940 -8.198 -5.543 -7.633 1.00 15.72 C ATOM 570 O SER A 940 -7.418 -6.090 -8.406 1.00 19.07 O ATOM 571 CB SER A 940 -7.248 -5.634 -5.313 1.00 10.13 C ATOM 572 OG SER A 940 -8.316 -6.420 -4.826 1.00 13.17 O ATOM 0 H SER A 940 -9.128 -4.110 -5.063 1.00 12.37 H new ATOM 0 HA SER A 940 -6.839 -4.154 -6.807 1.00 14.57 H new ATOM 0 HB2 SER A 940 -6.444 -6.285 -5.657 1.00 10.13 H new ATOM 0 HB3 SER A 940 -6.843 -5.028 -4.503 1.00 10.13 H new ATOM 0 HG SER A 940 -8.539 -7.112 -5.483 1.00 13.17 H new ATOM 578 N ARG A 941 -9.517 -5.657 -7.802 1.00 18.89 N ATOM 579 CA ARG A 941 -10.096 -6.450 -8.874 1.00 15.31 C ATOM 580 C ARG A 941 -9.747 -5.867 -10.231 1.00 31.13 C ATOM 581 O ARG A 941 -9.348 -6.612 -11.116 1.00 36.87 O ATOM 582 CB ARG A 941 -11.611 -6.582 -8.699 1.00 30.45 C ATOM 583 CG ARG A 941 -11.975 -7.455 -7.507 1.00 26.49 C ATOM 584 CD ARG A 941 -13.487 -7.552 -7.258 1.00 36.88 C ATOM 585 NE ARG A 941 -13.760 -8.340 -6.057 1.00 30.75 N ATOM 586 CZ ARG A 941 -13.873 -9.676 -6.085 1.00 50.14 C ATOM 587 NH1 ARG A 941 -13.714 -10.379 -7.209 1.00 35.76 N ATOM 588 NH2 ARG A 941 -14.109 -10.347 -4.957 1.00 25.34 N ATOM 0 H ARG A 941 -10.205 -5.203 -7.201 1.00 18.89 H new ATOM 0 HA ARG A 941 -9.667 -7.451 -8.824 1.00 15.31 H new ATOM 0 HB2 ARG A 941 -12.048 -5.592 -8.570 1.00 30.45 H new ATOM 0 HB3 ARG A 941 -12.045 -7.006 -9.605 1.00 30.45 H new ATOM 0 HG2 ARG A 941 -11.576 -8.457 -7.665 1.00 26.49 H new ATOM 0 HG3 ARG A 941 -11.493 -7.057 -6.614 1.00 26.49 H new ATOM 0 HD2 ARG A 941 -13.908 -6.553 -7.148 1.00 36.88 H new ATOM 0 HD3 ARG A 941 -13.974 -8.010 -8.119 1.00 36.88 H new ATOM 0 HE ARG A 941 -13.868 -7.856 -5.166 1.00 30.75 H new ATOM 0 HH11 ARG A 941 -13.499 -9.900 -8.084 1.00 35.76 H new ATOM 0 HH12 ARG A 941 -13.807 -11.395 -7.193 1.00 35.76 H new ATOM 0 HH21 ARG A 941 -14.203 -9.844 -4.075 1.00 25.34 H new ATOM 0 HH22 ARG A 941 -14.195 -11.363 -4.977 1.00 25.34 H new ATOM 601 N ASP A 942 -9.799 -4.532 -10.347 1.00 32.90 N ATOM 602 CA ASP A 942 -9.395 -3.764 -11.537 1.00 42.46 C ATOM 603 C ASP A 942 -7.995 -4.128 -12.014 1.00 49.35 C ATOM 604 O ASP A 942 -7.663 -4.205 -13.200 1.00 52.42 O ATOM 605 CB ASP A 942 -9.286 -2.237 -11.250 1.00 58.24 C ATOM 606 CG ASP A 942 -10.519 -1.375 -10.959 1.00 77.12 C ATOM 607 OD1 ASP A 942 -11.648 -1.769 -11.274 1.00 72.34 O ATOM 608 OD2 ASP A 942 -10.328 -0.278 -10.420 1.00 77.19 O ATOM 0 H ASP A 942 -10.135 -3.936 -9.590 1.00 32.90 H new ATOM 0 HA ASP A 942 -10.166 -4.001 -12.270 1.00 42.46 H new ATOM 0 HB2 ASP A 942 -8.616 -2.125 -10.398 1.00 58.24 H new ATOM 0 HB3 ASP A 942 -8.786 -1.791 -12.110 1.00 58.24 H new ATOM 613 N ARG A 943 -7.160 -4.277 -10.995 1.00 55.02 N ATOM 614 CA ARG A 943 -5.754 -4.513 -11.181 1.00 31.32 C ATOM 615 C ARG A 943 -5.442 -5.967 -11.477 1.00 32.97 C ATOM 616 O ARG A 943 -4.285 -6.319 -11.730 1.00 39.40 O ATOM 617 CB ARG A 943 -5.027 -4.105 -9.920 1.00 33.76 C ATOM 618 CG ARG A 943 -4.801 -2.624 -9.816 1.00 43.44 C ATOM 619 CD ARG A 943 -3.715 -2.450 -8.762 1.00 55.11 C ATOM 620 NE ARG A 943 -4.187 -2.786 -7.427 1.00 68.77 N ATOM 621 CZ ARG A 943 -4.995 -1.964 -6.744 1.00 34.61 C ATOM 622 NH1 ARG A 943 -5.486 -0.854 -7.304 1.00 29.77 N ATOM 623 NH2 ARG A 943 -5.315 -2.261 -5.484 1.00 50.73 N ATOM 0 H ARG A 943 -7.449 -4.236 -10.018 1.00 55.02 H new ATOM 0 HA ARG A 943 -5.428 -3.926 -12.040 1.00 31.32 H new ATOM 0 HB2 ARG A 943 -5.599 -4.440 -9.055 1.00 33.76 H new ATOM 0 HB3 ARG A 943 -4.065 -4.616 -9.883 1.00 33.76 H new ATOM 0 HG2 ARG A 943 -4.489 -2.207 -10.773 1.00 43.44 H new ATOM 0 HG3 ARG A 943 -5.716 -2.107 -9.526 1.00 43.44 H new ATOM 0 HD2 ARG A 943 -2.862 -3.081 -9.014 1.00 55.11 H new ATOM 0 HD3 ARG A 943 -3.363 -1.419 -8.772 1.00 55.11 H new ATOM 0 HE ARG A 943 -3.896 -3.667 -7.002 1.00 68.77 H new ATOM 0 HH11 ARG A 943 -5.247 -0.620 -8.268 1.00 29.77 H new ATOM 0 HH12 ARG A 943 -6.100 -0.241 -6.768 1.00 29.77 H new ATOM 0 HH21 ARG A 943 -4.945 -3.107 -5.050 1.00 50.73 H new ATOM 0 HH22 ARG A 943 -5.929 -1.642 -4.954 1.00 50.73 H new ATOM 636 N ASN A 944 -6.455 -6.835 -11.366 1.00 23.56 N ATOM 637 CA ASN A 944 -6.329 -8.263 -11.609 1.00 42.03 C ATOM 638 C ASN A 944 -5.306 -8.903 -10.664 1.00 70.45 C ATOM 639 O ASN A 944 -4.918 -10.059 -10.863 1.00 92.53 O ATOM 640 CB ASN A 944 -5.987 -8.563 -13.098 1.00 61.12 C ATOM 641 CG ASN A 944 -6.923 -7.963 -14.153 1.00 61.70 C ATOM 642 OD1 ASN A 944 -8.122 -8.217 -14.200 1.00 55.55 O ATOM 643 ND2 ASN A 944 -6.440 -7.136 -15.071 1.00 33.11 N ATOM 0 H ASN A 944 -7.398 -6.552 -11.100 1.00 23.56 H new ATOM 0 HA ASN A 944 -7.299 -8.714 -11.400 1.00 42.03 H new ATOM 0 HB2 ASN A 944 -4.977 -8.203 -13.295 1.00 61.12 H new ATOM 0 HB3 ASN A 944 -5.971 -9.645 -13.232 1.00 61.12 H new ATOM 0 HD21 ASN A 944 -7.060 -6.740 -15.777 1.00 33.11 H new ATOM 0 HD22 ASN A 944 -5.449 -6.896 -15.070 1.00 33.11 H new ATOM 650 N LYS A 945 -4.871 -8.216 -9.594 1.00 58.24 N ATOM 651 CA LYS A 945 -3.881 -8.749 -8.666 1.00 52.71 C ATOM 652 C LYS A 945 -4.473 -8.689 -7.246 1.00 19.74 C ATOM 653 O LYS A 945 -5.046 -7.655 -6.871 1.00 30.95 O ATOM 654 CB LYS A 945 -2.555 -7.966 -8.756 1.00 56.69 C ATOM 655 CG LYS A 945 -1.455 -8.671 -7.956 1.00 79.88 C ATOM 656 CD LYS A 945 -0.116 -7.954 -7.790 1.00 81.56 C ATOM 657 CE LYS A 945 0.647 -8.828 -6.791 1.00 84.21 C ATOM 658 NZ LYS A 945 1.981 -8.333 -6.505 1.00 86.18 N ATOM 0 H LYS A 945 -5.199 -7.280 -9.356 1.00 58.24 H new ATOM 0 HA LYS A 945 -3.650 -9.783 -8.924 1.00 52.71 H new ATOM 0 HB2 LYS A 945 -2.251 -7.874 -9.799 1.00 56.69 H new ATOM 0 HB3 LYS A 945 -2.697 -6.955 -8.375 1.00 56.69 H new ATOM 0 HG2 LYS A 945 -1.848 -8.879 -6.961 1.00 79.88 H new ATOM 0 HG3 LYS A 945 -1.262 -9.633 -8.430 1.00 79.88 H new ATOM 0 HD2 LYS A 945 0.415 -7.874 -8.739 1.00 81.56 H new ATOM 0 HD3 LYS A 945 -0.250 -6.940 -7.413 1.00 81.56 H new ATOM 0 HE2 LYS A 945 0.081 -8.886 -5.862 1.00 84.21 H new ATOM 0 HE3 LYS A 945 0.719 -9.842 -7.185 1.00 84.21 H new ATOM 0 HZ1 LYS A 945 2.447 -8.965 -5.824 1.00 86.18 H new ATOM 0 HZ2 LYS A 945 2.536 -8.302 -7.384 1.00 86.18 H new ATOM 0 HZ3 LYS A 945 1.917 -7.376 -6.102 1.00 86.18 H new ATOM 671 N PRO A 946 -4.462 -9.781 -6.450 1.00 32.57 N ATOM 672 CA PRO A 946 -4.960 -9.788 -5.088 1.00 16.22 C ATOM 673 C PRO A 946 -3.943 -9.081 -4.220 1.00 14.54 C ATOM 674 O PRO A 946 -2.730 -9.090 -4.489 1.00 16.32 O ATOM 675 CB PRO A 946 -5.045 -11.276 -4.729 1.00 14.02 C ATOM 676 CG PRO A 946 -5.077 -11.962 -6.064 1.00 31.07 C ATOM 677 CD PRO A 946 -4.060 -11.131 -6.825 1.00 32.99 C ATOM 0 HA PRO A 946 -5.920 -9.290 -4.957 1.00 16.22 H new ATOM 0 HB2 PRO A 946 -4.188 -11.594 -4.135 1.00 14.02 H new ATOM 0 HB3 PRO A 946 -5.938 -11.497 -4.144 1.00 14.02 H new ATOM 0 HG2 PRO A 946 -4.789 -13.011 -5.998 1.00 31.07 H new ATOM 0 HG3 PRO A 946 -6.065 -11.931 -6.523 1.00 31.07 H new ATOM 0 HD2 PRO A 946 -3.037 -11.355 -6.523 1.00 32.99 H new ATOM 0 HD3 PRO A 946 -4.118 -11.294 -7.901 1.00 32.99 H new ATOM 685 N PHE A 947 -4.501 -8.523 -3.149 1.00 10.29 N ATOM 686 CA PHE A 947 -3.756 -7.784 -2.164 1.00 9.03 C ATOM 687 C PHE A 947 -3.424 -8.764 -1.058 1.00 8.52 C ATOM 688 O PHE A 947 -4.249 -9.604 -0.684 1.00 11.40 O ATOM 689 CB PHE A 947 -4.607 -6.616 -1.638 1.00 8.19 C ATOM 690 CG PHE A 947 -4.039 -5.839 -0.455 1.00 9.99 C ATOM 691 CD1 PHE A 947 -3.085 -4.862 -0.659 1.00 20.12 C ATOM 692 CD2 PHE A 947 -4.519 -6.067 0.829 1.00 13.29 C ATOM 693 CE1 PHE A 947 -2.623 -4.117 0.417 1.00 21.39 C ATOM 694 CE2 PHE A 947 -4.051 -5.307 1.890 1.00 10.10 C ATOM 695 CZ PHE A 947 -3.100 -4.345 1.688 1.00 10.55 C ATOM 0 H PHE A 947 -5.500 -8.579 -2.949 1.00 10.29 H new ATOM 0 HA PHE A 947 -2.844 -7.355 -2.579 1.00 9.03 H new ATOM 0 HB2 PHE A 947 -4.771 -5.917 -2.458 1.00 8.19 H new ATOM 0 HB3 PHE A 947 -5.584 -7.007 -1.352 1.00 8.19 H new ATOM 0 HD1 PHE A 947 -2.700 -4.678 -1.651 1.00 20.12 H new ATOM 0 HD2 PHE A 947 -5.257 -6.837 1.001 1.00 13.29 H new ATOM 0 HE1 PHE A 947 -1.881 -3.349 0.255 1.00 21.39 H new ATOM 0 HE2 PHE A 947 -4.440 -5.476 2.883 1.00 10.10 H new ATOM 0 HZ PHE A 947 -2.726 -3.768 2.521 1.00 10.55 H new ATOM 705 N LYS A 948 -2.213 -8.668 -0.509 1.00 9.33 N ATOM 706 CA LYS A 948 -1.821 -9.535 0.580 1.00 7.21 C ATOM 707 C LYS A 948 -1.325 -8.635 1.690 1.00 12.96 C ATOM 708 O LYS A 948 -0.691 -7.593 1.448 1.00 14.92 O ATOM 709 CB LYS A 948 -0.681 -10.445 0.170 1.00 12.42 C ATOM 710 CG LYS A 948 -0.994 -11.275 -1.036 1.00 15.45 C ATOM 711 CD LYS A 948 0.127 -12.248 -1.236 1.00 22.52 C ATOM 712 CE LYS A 948 -0.153 -12.914 -2.563 1.00 20.02 C ATOM 713 NZ LYS A 948 0.855 -13.928 -2.784 1.00 31.31 N ATOM 0 H LYS A 948 -1.499 -8.002 -0.804 1.00 9.33 H new ATOM 0 HA LYS A 948 -2.665 -10.155 0.882 1.00 7.21 H new ATOM 0 HB2 LYS A 948 0.203 -9.841 -0.032 1.00 12.42 H new ATOM 0 HB3 LYS A 948 -0.433 -11.104 1.002 1.00 12.42 H new ATOM 0 HG2 LYS A 948 -1.937 -11.804 -0.899 1.00 15.45 H new ATOM 0 HG3 LYS A 948 -1.109 -10.641 -1.915 1.00 15.45 H new ATOM 0 HD2 LYS A 948 1.091 -11.740 -1.247 1.00 22.52 H new ATOM 0 HD3 LYS A 948 0.161 -12.979 -0.429 1.00 22.52 H new ATOM 0 HE2 LYS A 948 -1.147 -13.361 -2.561 1.00 20.02 H new ATOM 0 HE3 LYS A 948 -0.135 -12.179 -3.368 1.00 20.02 H new ATOM 0 HZ1 LYS A 948 0.680 -14.399 -3.694 1.00 31.31 H new ATOM 0 HZ2 LYS A 948 1.796 -13.485 -2.799 1.00 31.31 H new ATOM 0 HZ3 LYS A 948 0.815 -14.630 -2.018 1.00 31.31 H new ATOM 726 N PHE A 949 -1.661 -9.016 2.912 1.00 18.97 N ATOM 727 CA PHE A 949 -1.126 -8.340 4.080 1.00 24.29 C ATOM 728 C PHE A 949 -1.009 -9.352 5.210 1.00 15.17 C ATOM 729 O PHE A 949 -1.701 -10.380 5.250 1.00 14.27 O ATOM 730 CB PHE A 949 -1.988 -7.150 4.507 1.00 8.79 C ATOM 731 CG PHE A 949 -3.295 -7.568 5.168 1.00 8.83 C ATOM 732 CD1 PHE A 949 -4.362 -7.981 4.395 1.00 12.25 C ATOM 733 CD2 PHE A 949 -3.403 -7.489 6.553 1.00 15.63 C ATOM 734 CE1 PHE A 949 -5.552 -8.298 5.027 1.00 16.62 C ATOM 735 CE2 PHE A 949 -4.581 -7.824 7.173 1.00 15.50 C ATOM 736 CZ PHE A 949 -5.664 -8.229 6.407 1.00 14.07 C ATOM 0 H PHE A 949 -2.298 -9.785 3.119 1.00 18.97 H new ATOM 0 HA PHE A 949 -0.145 -7.935 3.831 1.00 24.29 H new ATOM 0 HB2 PHE A 949 -1.421 -6.527 5.199 1.00 8.79 H new ATOM 0 HB3 PHE A 949 -2.209 -6.537 3.633 1.00 8.79 H new ATOM 0 HD1 PHE A 949 -4.270 -8.055 3.321 1.00 12.25 H new ATOM 0 HD2 PHE A 949 -2.558 -7.163 7.142 1.00 15.63 H new ATOM 0 HE1 PHE A 949 -6.404 -8.603 4.438 1.00 16.62 H new ATOM 0 HE2 PHE A 949 -4.664 -7.773 8.249 1.00 15.50 H new ATOM 0 HZ PHE A 949 -6.596 -8.491 6.886 1.00 14.07 H new ATOM 746 N MET A 950 -0.161 -9.035 6.174 1.00 11.11 N ATOM 747 CA MET A 950 0.039 -9.929 7.298 1.00 13.52 C ATOM 748 C MET A 950 -0.779 -9.418 8.467 1.00 17.48 C ATOM 749 O MET A 950 -0.671 -8.257 8.901 1.00 14.22 O ATOM 750 CB MET A 950 1.515 -9.949 7.634 1.00 15.86 C ATOM 751 CG MET A 950 1.906 -11.255 8.264 1.00 52.57 C ATOM 752 SD MET A 950 3.664 -11.260 8.655 1.00 50.59 S ATOM 753 CE MET A 950 4.236 -11.241 6.982 1.00 35.23 C ATOM 0 H MET A 950 0.392 -8.178 6.201 1.00 11.11 H new ATOM 0 HA MET A 950 -0.282 -10.944 7.063 1.00 13.52 H new ATOM 0 HB2 MET A 950 2.100 -9.789 6.728 1.00 15.86 H new ATOM 0 HB3 MET A 950 1.748 -9.129 8.313 1.00 15.86 H new ATOM 0 HG2 MET A 950 1.324 -11.417 9.171 1.00 52.57 H new ATOM 0 HG3 MET A 950 1.675 -12.077 7.586 1.00 52.57 H new ATOM 0 HE1 MET A 950 5.169 -11.800 6.910 1.00 35.23 H new ATOM 0 HE2 MET A 950 3.487 -11.700 6.336 1.00 35.23 H new ATOM 0 HE3 MET A 950 4.405 -10.211 6.667 1.00 35.23 H new ATOM 763 N LEU A 951 -1.630 -10.308 8.961 1.00 12.57 N ATOM 764 CA LEU A 951 -2.543 -9.961 10.014 1.00 14.16 C ATOM 765 C LEU A 951 -1.751 -9.744 11.284 1.00 18.48 C ATOM 766 O LEU A 951 -0.787 -10.447 11.562 1.00 23.65 O ATOM 767 CB LEU A 951 -3.578 -11.050 10.224 1.00 11.95 C ATOM 768 CG LEU A 951 -4.717 -10.683 11.169 1.00 23.71 C ATOM 769 CD1 LEU A 951 -5.723 -9.772 10.511 1.00 21.03 C ATOM 770 CD2 LEU A 951 -5.420 -11.921 11.614 1.00 23.88 C ATOM 0 H LEU A 951 -1.698 -11.274 8.641 1.00 12.57 H new ATOM 0 HA LEU A 951 -3.076 -9.050 9.741 1.00 14.16 H new ATOM 0 HB2 LEU A 951 -4.001 -11.319 9.256 1.00 11.95 H new ATOM 0 HB3 LEU A 951 -3.077 -11.937 10.611 1.00 11.95 H new ATOM 0 HG LEU A 951 -4.278 -10.160 12.019 1.00 23.71 H new ATOM 0 HD11 LEU A 951 -6.517 -9.535 11.219 1.00 21.03 H new ATOM 0 HD12 LEU A 951 -5.230 -8.852 10.198 1.00 21.03 H new ATOM 0 HD13 LEU A 951 -6.150 -10.270 9.640 1.00 21.03 H new ATOM 0 HD21 LEU A 951 -6.233 -11.655 12.289 1.00 23.88 H new ATOM 0 HD22 LEU A 951 -5.825 -12.442 10.746 1.00 23.88 H new ATOM 0 HD23 LEU A 951 -4.717 -12.572 12.132 1.00 23.88 H new ATOM 782 N GLY A 952 -2.104 -8.692 12.011 1.00 16.43 N ATOM 783 CA GLY A 952 -1.530 -8.433 13.311 1.00 25.36 C ATOM 784 C GLY A 952 -0.276 -7.574 13.292 1.00 37.86 C ATOM 785 O GLY A 952 0.161 -7.178 14.371 1.00 41.17 O ATOM 0 H GLY A 952 -2.793 -8.002 11.712 1.00 16.43 H new ATOM 0 HA2 GLY A 952 -2.280 -7.944 13.933 1.00 25.36 H new ATOM 0 HA3 GLY A 952 -1.294 -9.386 13.785 1.00 25.36 H new ATOM 789 N LYS A 953 0.297 -7.202 12.141 1.00 23.52 N ATOM 790 CA LYS A 953 1.523 -6.399 12.094 1.00 16.40 C ATOM 791 C LYS A 953 1.308 -4.896 11.994 1.00 17.66 C ATOM 792 O LYS A 953 2.239 -4.159 11.695 1.00 25.35 O ATOM 793 CB LYS A 953 2.320 -6.808 10.867 1.00 17.13 C ATOM 794 CG LYS A 953 2.612 -8.294 10.827 1.00 34.16 C ATOM 795 CD LYS A 953 3.439 -8.794 12.005 1.00 39.60 C ATOM 796 CE LYS A 953 4.929 -8.879 11.668 1.00 79.21 C ATOM 797 NZ LYS A 953 5.696 -9.534 12.720 1.00 68.49 N ATOM 0 H LYS A 953 -0.073 -7.447 11.223 1.00 23.52 H new ATOM 0 HA LYS A 953 2.031 -6.591 13.039 1.00 16.40 H new ATOM 0 HB2 LYS A 953 1.768 -6.526 9.970 1.00 17.13 H new ATOM 0 HB3 LYS A 953 3.260 -6.257 10.849 1.00 17.13 H new ATOM 0 HG2 LYS A 953 1.668 -8.839 10.801 1.00 34.16 H new ATOM 0 HG3 LYS A 953 3.139 -8.526 9.902 1.00 34.16 H new ATOM 0 HD2 LYS A 953 3.298 -8.127 12.855 1.00 39.60 H new ATOM 0 HD3 LYS A 953 3.080 -9.777 12.308 1.00 39.60 H new ATOM 0 HE2 LYS A 953 5.058 -9.425 10.734 1.00 79.21 H new ATOM 0 HE3 LYS A 953 5.321 -7.875 11.507 1.00 79.21 H new ATOM 0 HZ1 LYS A 953 6.699 -9.569 12.448 1.00 68.49 H new ATOM 0 HZ2 LYS A 953 5.596 -9.000 13.607 1.00 68.49 H new ATOM 0 HZ3 LYS A 953 5.341 -10.502 12.857 1.00 68.49 H new ATOM 810 N GLN A 954 0.061 -4.420 12.161 1.00 25.80 N ATOM 811 CA GLN A 954 -0.317 -3.027 11.907 1.00 26.19 C ATOM 812 C GLN A 954 0.075 -2.439 10.537 1.00 17.56 C ATOM 813 O GLN A 954 0.341 -1.255 10.350 1.00 17.09 O ATOM 814 CB GLN A 954 0.147 -2.122 13.042 1.00 41.87 C ATOM 815 CG GLN A 954 -0.601 -2.292 14.347 1.00 26.68 C ATOM 816 CD GLN A 954 -0.103 -1.279 15.374 1.00 64.57 C ATOM 817 OE1 GLN A 954 1.097 -1.065 15.556 1.00 59.44 O ATOM 818 NE2 GLN A 954 -1.026 -0.619 16.056 1.00 66.86 N ATOM 0 H GLN A 954 -0.716 -5.000 12.479 1.00 25.80 H new ATOM 0 HA GLN A 954 -1.406 -3.060 11.868 1.00 26.19 H new ATOM 0 HB2 GLN A 954 1.206 -2.305 13.222 1.00 41.87 H new ATOM 0 HB3 GLN A 954 0.053 -1.085 12.720 1.00 41.87 H new ATOM 0 HG2 GLN A 954 -1.670 -2.158 14.182 1.00 26.68 H new ATOM 0 HG3 GLN A 954 -0.461 -3.304 14.726 1.00 26.68 H new ATOM 0 HE21 GLN A 954 -2.015 -0.809 15.892 1.00 66.86 H new ATOM 0 HE22 GLN A 954 -0.749 0.080 16.745 1.00 66.86 H new ATOM 827 N GLU A 955 0.039 -3.296 9.520 1.00 12.54 N ATOM 828 CA GLU A 955 0.253 -2.854 8.154 1.00 13.97 C ATOM 829 C GLU A 955 -0.943 -2.098 7.593 1.00 12.18 C ATOM 830 O GLU A 955 -0.790 -1.239 6.727 1.00 12.93 O ATOM 831 CB GLU A 955 0.539 -4.055 7.293 1.00 13.36 C ATOM 832 CG GLU A 955 1.800 -4.795 7.712 1.00 13.00 C ATOM 833 CD GLU A 955 2.165 -5.978 6.823 1.00 21.07 C ATOM 834 OE1 GLU A 955 1.397 -6.378 5.944 1.00 22.75 O ATOM 835 OE2 GLU A 955 3.241 -6.522 7.000 1.00 26.18 O ATOM 0 H GLU A 955 -0.136 -4.296 9.620 1.00 12.54 H new ATOM 0 HA GLU A 955 1.098 -2.165 8.154 1.00 13.97 H new ATOM 0 HB2 GLU A 955 -0.309 -4.738 7.337 1.00 13.36 H new ATOM 0 HB3 GLU A 955 0.638 -3.737 6.255 1.00 13.36 H new ATOM 0 HG2 GLU A 955 2.633 -4.092 7.719 1.00 13.00 H new ATOM 0 HG3 GLU A 955 1.674 -5.151 8.735 1.00 13.00 H new ATOM 842 N VAL A 956 -2.150 -2.435 8.071 1.00 11.28 N ATOM 843 CA VAL A 956 -3.375 -1.867 7.539 1.00 5.68 C ATOM 844 C VAL A 956 -4.192 -1.217 8.655 1.00 9.59 C ATOM 845 O VAL A 956 -3.942 -1.420 9.849 1.00 13.30 O ATOM 846 CB VAL A 956 -4.178 -2.955 6.777 1.00 8.42 C ATOM 847 CG1 VAL A 956 -3.446 -3.361 5.492 1.00 5.29 C ATOM 848 CG2 VAL A 956 -4.516 -4.157 7.705 1.00 10.91 C ATOM 0 H VAL A 956 -2.293 -3.102 8.829 1.00 11.28 H new ATOM 0 HA VAL A 956 -3.130 -1.081 6.825 1.00 5.68 H new ATOM 0 HB VAL A 956 -5.138 -2.540 6.469 1.00 8.42 H new ATOM 0 HG11 VAL A 956 -4.023 -4.125 4.970 1.00 5.29 H new ATOM 0 HG12 VAL A 956 -3.331 -2.489 4.848 1.00 5.29 H new ATOM 0 HG13 VAL A 956 -2.463 -3.758 5.743 1.00 5.29 H new ATOM 0 HG21 VAL A 956 -5.079 -4.903 7.144 1.00 10.91 H new ATOM 0 HG22 VAL A 956 -3.592 -4.602 8.075 1.00 10.91 H new ATOM 0 HG23 VAL A 956 -5.114 -3.809 8.547 1.00 10.91 H new ATOM 858 N ILE A 957 -5.200 -0.442 8.272 1.00 6.13 N ATOM 859 CA ILE A 957 -6.078 0.220 9.219 1.00 11.35 C ATOM 860 C ILE A 957 -6.762 -0.752 10.161 1.00 11.05 C ATOM 861 O ILE A 957 -6.999 -1.925 9.837 1.00 10.94 O ATOM 862 CB ILE A 957 -7.115 1.134 8.510 1.00 9.45 C ATOM 863 CG1 ILE A 957 -8.018 0.343 7.536 1.00 5.31 C ATOM 864 CG2 ILE A 957 -6.373 2.300 7.850 1.00 8.84 C ATOM 865 CD1 ILE A 957 -9.138 1.133 6.880 1.00 7.74 C ATOM 0 H ILE A 957 -5.429 -0.257 7.295 1.00 6.13 H new ATOM 0 HA ILE A 957 -5.436 0.856 9.829 1.00 11.35 H new ATOM 0 HB ILE A 957 -7.806 1.546 9.246 1.00 9.45 H new ATOM 0 HG12 ILE A 957 -7.390 -0.080 6.752 1.00 5.31 H new ATOM 0 HG13 ILE A 957 -8.459 -0.494 8.078 1.00 5.31 H new ATOM 0 HG21 ILE A 957 -7.090 2.950 7.348 1.00 8.84 H new ATOM 0 HG22 ILE A 957 -5.838 2.868 8.611 1.00 8.84 H new ATOM 0 HG23 ILE A 957 -5.662 1.912 7.120 1.00 8.84 H new ATOM 0 HD11 ILE A 957 -9.706 0.479 6.219 1.00 7.74 H new ATOM 0 HD12 ILE A 957 -9.799 1.534 7.648 1.00 7.74 H new ATOM 0 HD13 ILE A 957 -8.714 1.954 6.302 1.00 7.74 H new ATOM 877 N ARG A 958 -7.120 -0.254 11.342 1.00 8.31 N ATOM 878 CA ARG A 958 -7.653 -1.078 12.406 1.00 9.12 C ATOM 879 C ARG A 958 -8.908 -1.872 12.052 1.00 9.73 C ATOM 880 O ARG A 958 -9.088 -3.036 12.432 1.00 11.55 O ATOM 881 CB ARG A 958 -7.921 -0.156 13.572 1.00 13.65 C ATOM 882 CG ARG A 958 -8.342 -0.896 14.801 1.00 13.35 C ATOM 883 CD ARG A 958 -8.476 0.065 15.973 1.00 27.70 C ATOM 884 NE ARG A 958 -8.898 -0.738 17.113 1.00 32.60 N ATOM 885 CZ ARG A 958 -9.124 -0.251 18.344 1.00 63.58 C ATOM 886 NH1 ARG A 958 -8.956 1.035 18.650 1.00 64.64 N ATOM 887 NH2 ARG A 958 -9.487 -1.084 19.318 1.00 55.48 N ATOM 0 H ARG A 958 -7.046 0.735 11.581 1.00 8.31 H new ATOM 0 HA ARG A 958 -6.916 -1.848 12.634 1.00 9.12 H new ATOM 0 HB2 ARG A 958 -7.022 0.421 13.789 1.00 13.65 H new ATOM 0 HB3 ARG A 958 -8.698 0.557 13.297 1.00 13.65 H new ATOM 0 HG2 ARG A 958 -9.292 -1.399 14.624 1.00 13.35 H new ATOM 0 HG3 ARG A 958 -7.611 -1.669 15.037 1.00 13.35 H new ATOM 0 HD2 ARG A 958 -7.528 0.563 16.178 1.00 27.70 H new ATOM 0 HD3 ARG A 958 -9.206 0.845 15.755 1.00 27.70 H new ATOM 0 HE ARG A 958 -9.031 -1.739 16.966 1.00 32.60 H new ATOM 0 HH11 ARG A 958 -8.644 1.693 17.936 1.00 64.64 H new ATOM 0 HH12 ARG A 958 -9.140 1.362 19.599 1.00 64.64 H new ATOM 0 HH21 ARG A 958 -9.591 -2.080 19.125 1.00 55.48 H new ATOM 0 HH22 ARG A 958 -9.661 -0.726 20.257 1.00 55.48 H new ATOM 900 N GLY A 959 -9.788 -1.240 11.281 1.00 9.85 N ATOM 901 CA GLY A 959 -11.001 -1.878 10.820 1.00 11.31 C ATOM 902 C GLY A 959 -10.760 -3.107 9.960 1.00 11.34 C ATOM 903 O GLY A 959 -11.590 -4.019 9.979 1.00 12.57 O ATOM 0 H GLY A 959 -9.675 -0.277 10.964 1.00 9.85 H new ATOM 0 HA2 GLY A 959 -11.601 -2.163 11.684 1.00 11.31 H new ATOM 0 HA3 GLY A 959 -11.586 -1.156 10.250 1.00 11.31 H new ATOM 907 N TRP A 960 -9.654 -3.124 9.197 1.00 9.25 N ATOM 908 CA TRP A 960 -9.281 -4.289 8.436 1.00 5.89 C ATOM 909 C TRP A 960 -8.707 -5.316 9.373 1.00 11.62 C ATOM 910 O TRP A 960 -9.065 -6.479 9.248 1.00 10.65 O ATOM 911 CB TRP A 960 -8.255 -4.008 7.347 1.00 2.00 C ATOM 912 CG TRP A 960 -8.902 -3.714 6.005 1.00 7.15 C ATOM 913 CD1 TRP A 960 -9.772 -2.670 5.813 1.00 9.09 C ATOM 914 CD2 TRP A 960 -8.664 -4.406 4.845 1.00 12.44 C ATOM 915 NE1 TRP A 960 -10.061 -2.714 4.531 1.00 14.82 N ATOM 916 CE2 TRP A 960 -9.418 -3.714 3.916 1.00 9.06 C ATOM 917 CE3 TRP A 960 -7.882 -5.472 4.444 1.00 10.43 C ATOM 918 CZ2 TRP A 960 -9.391 -4.047 2.567 1.00 6.28 C ATOM 919 CZ3 TRP A 960 -7.845 -5.799 3.105 1.00 12.15 C ATOM 920 CH2 TRP A 960 -8.592 -5.102 2.175 1.00 8.16 C ATOM 0 H TRP A 960 -9.014 -2.335 9.103 1.00 9.25 H new ATOM 0 HA TRP A 960 -10.186 -4.642 7.941 1.00 5.89 H new ATOM 0 HB2 TRP A 960 -7.638 -3.160 7.643 1.00 2.00 H new ATOM 0 HB3 TRP A 960 -7.591 -4.866 7.247 1.00 2.00 H new ATOM 0 HD1 TRP A 960 -10.137 -1.970 6.550 1.00 9.09 H new ATOM 0 HE1 TRP A 960 -10.696 -2.067 4.064 1.00 14.82 H new ATOM 0 HE3 TRP A 960 -7.311 -6.038 5.165 1.00 10.43 H new ATOM 0 HZ2 TRP A 960 -9.978 -3.497 1.847 1.00 6.28 H new ATOM 0 HZ3 TRP A 960 -7.220 -6.616 2.777 1.00 12.15 H new ATOM 0 HH2 TRP A 960 -8.550 -5.385 1.133 1.00 8.16 H new ATOM 931 N GLU A 961 -7.848 -4.932 10.330 1.00 10.64 N ATOM 932 CA GLU A 961 -7.278 -5.876 11.278 1.00 10.98 C ATOM 933 C GLU A 961 -8.356 -6.629 12.056 1.00 15.13 C ATOM 934 O GLU A 961 -8.318 -7.851 12.202 1.00 18.15 O ATOM 935 CB GLU A 961 -6.362 -5.155 12.269 1.00 10.74 C ATOM 936 CG GLU A 961 -5.082 -4.511 11.742 1.00 19.92 C ATOM 937 CD GLU A 961 -3.894 -5.454 11.619 1.00 18.76 C ATOM 938 OE1 GLU A 961 -3.955 -6.412 10.865 1.00 32.83 O ATOM 939 OE2 GLU A 961 -2.900 -5.225 12.293 1.00 44.50 O ATOM 0 H GLU A 961 -7.538 -3.969 10.460 1.00 10.64 H new ATOM 0 HA GLU A 961 -6.704 -6.598 10.697 1.00 10.98 H new ATOM 0 HB2 GLU A 961 -6.949 -4.376 12.756 1.00 10.74 H new ATOM 0 HB3 GLU A 961 -6.079 -5.871 13.041 1.00 10.74 H new ATOM 0 HG2 GLU A 961 -5.287 -4.078 10.763 1.00 19.92 H new ATOM 0 HG3 GLU A 961 -4.808 -3.689 12.403 1.00 19.92 H new ATOM 946 N GLU A 962 -9.354 -5.909 12.545 1.00 9.75 N ATOM 947 CA GLU A 962 -10.448 -6.536 13.260 1.00 11.54 C ATOM 948 C GLU A 962 -11.491 -7.166 12.366 1.00 8.40 C ATOM 949 O GLU A 962 -12.089 -8.181 12.728 1.00 11.35 O ATOM 950 CB GLU A 962 -11.121 -5.520 14.170 1.00 11.79 C ATOM 951 CG GLU A 962 -10.159 -5.308 15.338 1.00 44.46 C ATOM 952 CD GLU A 962 -10.519 -4.274 16.391 1.00 52.63 C ATOM 953 OE1 GLU A 962 -11.685 -3.933 16.589 1.00 26.54 O ATOM 954 OE2 GLU A 962 -9.597 -3.821 17.054 1.00 28.84 O ATOM 0 H GLU A 962 -9.427 -4.895 12.459 1.00 9.75 H new ATOM 0 HA GLU A 962 -10.000 -7.346 13.836 1.00 11.54 H new ATOM 0 HB2 GLU A 962 -11.307 -4.585 13.642 1.00 11.79 H new ATOM 0 HB3 GLU A 962 -12.086 -5.887 14.520 1.00 11.79 H new ATOM 0 HG2 GLU A 962 -10.033 -6.266 15.843 1.00 44.46 H new ATOM 0 HG3 GLU A 962 -9.188 -5.036 14.924 1.00 44.46 H new ATOM 961 N GLY A 963 -11.735 -6.568 11.211 1.00 6.34 N ATOM 962 CA GLY A 963 -12.745 -7.047 10.290 1.00 11.76 C ATOM 963 C GLY A 963 -12.353 -8.369 9.674 1.00 14.21 C ATOM 964 O GLY A 963 -13.094 -9.351 9.769 1.00 11.00 O ATOM 0 H GLY A 963 -11.237 -5.738 10.889 1.00 6.34 H new ATOM 0 HA2 GLY A 963 -13.694 -7.157 10.815 1.00 11.76 H new ATOM 0 HA3 GLY A 963 -12.899 -6.309 9.502 1.00 11.76 H new ATOM 968 N VAL A 964 -11.151 -8.425 9.088 1.00 12.36 N ATOM 969 CA VAL A 964 -10.694 -9.627 8.408 1.00 8.38 C ATOM 970 C VAL A 964 -10.452 -10.788 9.375 1.00 10.73 C ATOM 971 O VAL A 964 -10.730 -11.937 9.033 1.00 11.09 O ATOM 972 CB VAL A 964 -9.499 -9.304 7.467 1.00 10.46 C ATOM 973 CG1 VAL A 964 -8.930 -10.566 6.820 1.00 7.10 C ATOM 974 CG2 VAL A 964 -9.939 -8.302 6.383 1.00 13.30 C ATOM 0 H VAL A 964 -10.485 -7.652 9.075 1.00 12.36 H new ATOM 0 HA VAL A 964 -11.495 -9.987 7.762 1.00 8.38 H new ATOM 0 HB VAL A 964 -8.709 -8.860 8.072 1.00 10.46 H new ATOM 0 HG11 VAL A 964 -8.097 -10.298 6.170 1.00 7.10 H new ATOM 0 HG12 VAL A 964 -8.580 -11.247 7.596 1.00 7.10 H new ATOM 0 HG13 VAL A 964 -9.706 -11.055 6.232 1.00 7.10 H new ATOM 0 HG21 VAL A 964 -9.096 -8.081 5.728 1.00 13.30 H new ATOM 0 HG22 VAL A 964 -10.751 -8.733 5.797 1.00 13.30 H new ATOM 0 HG23 VAL A 964 -10.282 -7.382 6.856 1.00 13.30 H new ATOM 984 N ALA A 965 -10.008 -10.515 10.611 1.00 8.64 N ATOM 985 CA ALA A 965 -9.855 -11.550 11.611 1.00 5.07 C ATOM 986 C ALA A 965 -11.103 -12.378 11.922 1.00 10.97 C ATOM 987 O ALA A 965 -11.009 -13.535 12.355 1.00 11.35 O ATOM 988 CB ALA A 965 -9.390 -10.912 12.908 1.00 9.58 C ATOM 0 H ALA A 965 -9.752 -9.581 10.930 1.00 8.64 H new ATOM 0 HA ALA A 965 -9.134 -12.246 11.182 1.00 5.07 H new ATOM 0 HB1 ALA A 965 -9.271 -11.682 13.670 1.00 9.58 H new ATOM 0 HB2 ALA A 965 -8.435 -10.412 12.746 1.00 9.58 H new ATOM 0 HB3 ALA A 965 -10.129 -10.184 13.241 1.00 9.58 H new ATOM 994 N GLN A 966 -12.305 -11.837 11.692 1.00 8.60 N ATOM 995 CA GLN A 966 -13.497 -12.626 11.969 1.00 3.86 C ATOM 996 C GLN A 966 -14.063 -13.252 10.704 1.00 7.84 C ATOM 997 O GLN A 966 -15.195 -13.743 10.700 1.00 13.14 O ATOM 998 CB GLN A 966 -14.508 -11.810 12.751 1.00 14.43 C ATOM 999 CG GLN A 966 -14.868 -10.524 12.077 1.00 9.21 C ATOM 1000 CD GLN A 966 -15.686 -9.599 12.948 1.00 18.89 C ATOM 1001 OE1 GLN A 966 -16.906 -9.737 13.063 1.00 16.81 O ATOM 1002 NE2 GLN A 966 -15.056 -8.609 13.561 1.00 16.04 N ATOM 0 H GLN A 966 -12.470 -10.898 11.331 1.00 8.60 H new ATOM 0 HA GLN A 966 -13.220 -13.466 12.606 1.00 3.86 H new ATOM 0 HB2 GLN A 966 -15.411 -12.403 12.896 1.00 14.43 H new ATOM 0 HB3 GLN A 966 -14.105 -11.595 13.741 1.00 14.43 H new ATOM 0 HG2 GLN A 966 -13.954 -10.013 11.774 1.00 9.21 H new ATOM 0 HG3 GLN A 966 -15.427 -10.743 11.167 1.00 9.21 H new ATOM 0 HE21 GLN A 966 -14.046 -8.506 13.458 1.00 16.04 H new ATOM 0 HE22 GLN A 966 -15.580 -7.950 14.136 1.00 16.04 H new ATOM 1011 N MET A 967 -13.301 -13.248 9.610 1.00 12.58 N ATOM 1012 CA MET A 967 -13.789 -13.820 8.380 1.00 9.01 C ATOM 1013 C MET A 967 -13.137 -15.180 8.222 1.00 5.22 C ATOM 1014 O MET A 967 -12.009 -15.415 8.649 1.00 11.06 O ATOM 1015 CB MET A 967 -13.478 -12.908 7.198 1.00 8.72 C ATOM 1016 CG MET A 967 -14.307 -11.622 7.119 1.00 14.13 C ATOM 1017 SD MET A 967 -13.731 -10.566 5.769 1.00 13.76 S ATOM 1018 CE MET A 967 -14.403 -11.555 4.459 1.00 11.06 C ATOM 0 H MET A 967 -12.359 -12.859 9.561 1.00 12.58 H new ATOM 0 HA MET A 967 -14.873 -13.929 8.409 1.00 9.01 H new ATOM 0 HB2 MET A 967 -12.423 -12.637 7.239 1.00 8.72 H new ATOM 0 HB3 MET A 967 -13.627 -13.472 6.277 1.00 8.72 H new ATOM 0 HG2 MET A 967 -15.358 -11.870 6.969 1.00 14.13 H new ATOM 0 HG3 MET A 967 -14.239 -11.082 8.063 1.00 14.13 H new ATOM 0 HE1 MET A 967 -14.883 -10.908 3.724 1.00 11.06 H new ATOM 0 HE2 MET A 967 -13.601 -12.117 3.979 1.00 11.06 H new ATOM 0 HE3 MET A 967 -15.138 -12.249 4.867 1.00 11.06 H new ATOM 1028 N SER A 968 -13.873 -16.106 7.622 1.00 8.79 N ATOM 1029 CA SER A 968 -13.278 -17.377 7.272 1.00 11.09 C ATOM 1030 C SER A 968 -12.920 -17.463 5.787 1.00 15.47 C ATOM 1031 O SER A 968 -13.447 -16.675 4.984 1.00 12.61 O ATOM 1032 CB SER A 968 -14.163 -18.513 7.722 1.00 8.47 C ATOM 1033 OG SER A 968 -15.491 -18.519 7.236 1.00 11.08 O ATOM 0 H SER A 968 -14.857 -16.001 7.375 1.00 8.79 H new ATOM 0 HA SER A 968 -12.331 -17.463 7.805 1.00 11.09 H new ATOM 0 HB2 SER A 968 -13.689 -19.450 7.427 1.00 8.47 H new ATOM 0 HB3 SER A 968 -14.200 -18.503 8.811 1.00 8.47 H new ATOM 0 HG SER A 968 -16.116 -18.479 7.990 1.00 11.08 H new ATOM 1039 N VAL A 969 -12.066 -18.420 5.388 1.00 13.66 N ATOM 1040 CA VAL A 969 -11.637 -18.547 4.010 1.00 10.45 C ATOM 1041 C VAL A 969 -12.838 -18.755 3.115 1.00 6.70 C ATOM 1042 O VAL A 969 -13.699 -19.570 3.451 1.00 10.56 O ATOM 1043 CB VAL A 969 -10.589 -19.676 3.862 1.00 22.97 C ATOM 1044 CG1 VAL A 969 -10.145 -19.922 2.412 1.00 11.78 C ATOM 1045 CG2 VAL A 969 -9.364 -19.300 4.651 1.00 13.49 C ATOM 0 H VAL A 969 -11.664 -19.116 6.016 1.00 13.66 H new ATOM 0 HA VAL A 969 -11.148 -17.624 3.698 1.00 10.45 H new ATOM 0 HB VAL A 969 -11.063 -20.589 4.223 1.00 22.97 H new ATOM 0 HG11 VAL A 969 -9.410 -20.727 2.388 1.00 11.78 H new ATOM 0 HG12 VAL A 969 -11.009 -20.201 1.809 1.00 11.78 H new ATOM 0 HG13 VAL A 969 -9.700 -19.012 2.008 1.00 11.78 H new ATOM 0 HG21 VAL A 969 -8.615 -20.086 4.557 1.00 13.49 H new ATOM 0 HG22 VAL A 969 -8.958 -18.364 4.268 1.00 13.49 H new ATOM 0 HG23 VAL A 969 -9.631 -19.177 5.701 1.00 13.49 H new ATOM 1055 N GLY A 970 -12.918 -17.977 2.041 1.00 12.27 N ATOM 1056 CA GLY A 970 -13.987 -18.045 1.059 1.00 12.60 C ATOM 1057 C GLY A 970 -15.065 -16.983 1.271 1.00 16.68 C ATOM 1058 O GLY A 970 -15.880 -16.734 0.383 1.00 12.60 O ATOM 0 H GLY A 970 -12.221 -17.264 1.826 1.00 12.27 H new ATOM 0 HA2 GLY A 970 -13.563 -17.930 0.061 1.00 12.60 H new ATOM 0 HA3 GLY A 970 -14.446 -19.033 1.098 1.00 12.60 H new ATOM 1062 N GLN A 971 -15.083 -16.341 2.444 1.00 9.90 N ATOM 1063 CA GLN A 971 -16.137 -15.425 2.757 1.00 5.02 C ATOM 1064 C GLN A 971 -15.946 -14.143 1.963 1.00 8.32 C ATOM 1065 O GLN A 971 -14.823 -13.674 1.790 1.00 13.62 O ATOM 1066 CB GLN A 971 -16.097 -15.122 4.230 1.00 2.98 C ATOM 1067 CG GLN A 971 -17.320 -14.329 4.704 1.00 6.45 C ATOM 1068 CD GLN A 971 -17.339 -14.145 6.201 1.00 11.80 C ATOM 1069 OE1 GLN A 971 -16.673 -14.879 6.932 1.00 16.00 O ATOM 1070 NE2 GLN A 971 -18.107 -13.234 6.765 1.00 12.64 N ATOM 0 H GLN A 971 -14.378 -16.450 3.173 1.00 9.90 H new ATOM 0 HA GLN A 971 -17.101 -15.864 2.499 1.00 5.02 H new ATOM 0 HB2 GLN A 971 -16.037 -16.057 4.788 1.00 2.98 H new ATOM 0 HB3 GLN A 971 -15.193 -14.557 4.456 1.00 2.98 H new ATOM 0 HG2 GLN A 971 -17.327 -13.352 4.220 1.00 6.45 H new ATOM 0 HG3 GLN A 971 -18.228 -14.845 4.392 1.00 6.45 H new ATOM 0 HE21 GLN A 971 -18.670 -12.612 6.185 1.00 12.64 H new ATOM 0 HE22 GLN A 971 -18.138 -13.151 7.781 1.00 12.64 H new ATOM 1079 N ARG A 972 -17.050 -13.537 1.542 1.00 8.72 N ATOM 1080 CA ARG A 972 -17.048 -12.199 0.986 1.00 6.13 C ATOM 1081 C ARG A 972 -17.913 -11.359 1.913 1.00 11.97 C ATOM 1082 O ARG A 972 -19.032 -11.774 2.241 1.00 9.70 O ATOM 1083 CB ARG A 972 -17.587 -12.235 -0.447 1.00 4.08 C ATOM 1084 CG ARG A 972 -17.492 -10.891 -1.083 1.00 5.95 C ATOM 1085 CD ARG A 972 -17.778 -11.044 -2.569 1.00 15.19 C ATOM 1086 NE ARG A 972 -17.870 -9.741 -3.223 1.00 14.21 N ATOM 1087 CZ ARG A 972 -18.162 -9.583 -4.520 1.00 19.71 C ATOM 1088 NH1 ARG A 972 -18.453 -10.611 -5.303 1.00 19.34 N ATOM 1089 NH2 ARG A 972 -18.171 -8.373 -5.058 1.00 14.73 N ATOM 0 H ARG A 972 -17.974 -13.967 1.579 1.00 8.72 H new ATOM 0 HA ARG A 972 -16.048 -11.771 0.924 1.00 6.13 H new ATOM 0 HB2 ARG A 972 -17.024 -12.960 -1.034 1.00 4.08 H new ATOM 0 HB3 ARG A 972 -18.625 -12.567 -0.441 1.00 4.08 H new ATOM 0 HG2 ARG A 972 -18.206 -10.204 -0.628 1.00 5.95 H new ATOM 0 HG3 ARG A 972 -16.500 -10.467 -0.929 1.00 5.95 H new ATOM 0 HD2 ARG A 972 -16.989 -11.634 -3.036 1.00 15.19 H new ATOM 0 HD3 ARG A 972 -18.710 -11.591 -2.709 1.00 15.19 H new ATOM 0 HE ARG A 972 -17.703 -8.906 -2.661 1.00 14.21 H new ATOM 0 HH11 ARG A 972 -18.459 -11.557 -4.922 1.00 19.34 H new ATOM 0 HH12 ARG A 972 -18.671 -10.457 -6.287 1.00 19.34 H new ATOM 0 HH21 ARG A 972 -17.955 -7.558 -4.484 1.00 14.73 H new ATOM 0 HH22 ARG A 972 -18.394 -8.256 -6.046 1.00 14.73 H new ATOM 1102 N ALA A 973 -17.451 -10.194 2.358 1.00 7.24 N ATOM 1103 CA ALA A 973 -18.186 -9.372 3.304 1.00 11.91 C ATOM 1104 C ALA A 973 -18.095 -7.875 3.013 1.00 8.84 C ATOM 1105 O ALA A 973 -17.168 -7.385 2.378 1.00 8.80 O ATOM 1106 CB ALA A 973 -17.654 -9.645 4.707 1.00 10.80 C ATOM 0 H ALA A 973 -16.557 -9.797 2.071 1.00 7.24 H new ATOM 0 HA ALA A 973 -19.238 -9.643 3.214 1.00 11.91 H new ATOM 0 HB1 ALA A 973 -18.198 -9.034 5.428 1.00 10.80 H new ATOM 0 HB2 ALA A 973 -17.790 -10.699 4.949 1.00 10.80 H new ATOM 0 HB3 ALA A 973 -16.593 -9.398 4.748 1.00 10.80 H new ATOM 1112 N LYS A 974 -19.125 -7.142 3.410 1.00 7.18 N ATOM 1113 CA LYS A 974 -19.129 -5.700 3.388 1.00 6.47 C ATOM 1114 C LYS A 974 -18.663 -5.301 4.791 1.00 8.25 C ATOM 1115 O LYS A 974 -19.239 -5.716 5.803 1.00 10.41 O ATOM 1116 CB LYS A 974 -20.543 -5.229 3.145 1.00 7.24 C ATOM 1117 CG LYS A 974 -20.688 -3.747 3.210 1.00 10.08 C ATOM 1118 CD LYS A 974 -22.162 -3.583 3.379 1.00 20.02 C ATOM 1119 CE LYS A 974 -22.458 -2.220 3.920 1.00 40.73 C ATOM 1120 NZ LYS A 974 -22.957 -1.373 2.872 1.00 23.83 N ATOM 0 H LYS A 974 -19.993 -7.547 3.761 1.00 7.18 H new ATOM 0 HA LYS A 974 -18.496 -5.270 2.612 1.00 6.47 H new ATOM 0 HB2 LYS A 974 -20.872 -5.577 2.166 1.00 7.24 H new ATOM 0 HB3 LYS A 974 -21.203 -5.685 3.883 1.00 7.24 H new ATOM 0 HG2 LYS A 974 -20.132 -3.319 4.045 1.00 10.08 H new ATOM 0 HG3 LYS A 974 -20.325 -3.262 2.304 1.00 10.08 H new ATOM 0 HD2 LYS A 974 -22.665 -3.722 2.422 1.00 20.02 H new ATOM 0 HD3 LYS A 974 -22.547 -4.345 4.056 1.00 20.02 H new ATOM 0 HE2 LYS A 974 -23.192 -2.290 4.723 1.00 40.73 H new ATOM 0 HE3 LYS A 974 -21.555 -1.787 4.350 1.00 40.73 H new ATOM 0 HZ1 LYS A 974 -23.160 -0.428 3.256 1.00 23.83 H new ATOM 0 HZ2 LYS A 974 -22.243 -1.295 2.120 1.00 23.83 H new ATOM 0 HZ3 LYS A 974 -23.829 -1.782 2.481 1.00 23.83 H new ATOM 1133 N LEU A 975 -17.572 -4.541 4.846 1.00 7.63 N ATOM 1134 CA LEU A 975 -17.041 -3.988 6.089 1.00 6.00 C ATOM 1135 C LEU A 975 -17.379 -2.518 6.143 1.00 8.48 C ATOM 1136 O LEU A 975 -16.971 -1.802 5.237 1.00 11.64 O ATOM 1137 CB LEU A 975 -15.516 -4.157 6.176 1.00 7.28 C ATOM 1138 CG LEU A 975 -14.891 -5.447 6.668 1.00 10.30 C ATOM 1139 CD1 LEU A 975 -15.218 -6.625 5.791 1.00 26.74 C ATOM 1140 CD2 LEU A 975 -13.387 -5.271 6.633 1.00 11.53 C ATOM 0 H LEU A 975 -17.027 -4.289 4.021 1.00 7.63 H new ATOM 0 HA LEU A 975 -17.488 -4.524 6.927 1.00 6.00 H new ATOM 0 HB2 LEU A 975 -15.119 -3.973 5.178 1.00 7.28 H new ATOM 0 HB3 LEU A 975 -15.145 -3.359 6.819 1.00 7.28 H new ATOM 0 HG LEU A 975 -15.281 -5.645 7.667 1.00 10.30 H new ATOM 0 HD11 LEU A 975 -14.744 -7.520 6.193 1.00 26.74 H new ATOM 0 HD12 LEU A 975 -16.298 -6.769 5.762 1.00 26.74 H new ATOM 0 HD13 LEU A 975 -14.850 -6.441 4.782 1.00 26.74 H new ATOM 0 HD21 LEU A 975 -12.906 -6.184 6.982 1.00 11.53 H new ATOM 0 HD22 LEU A 975 -13.069 -5.061 5.612 1.00 11.53 H new ATOM 0 HD23 LEU A 975 -13.103 -4.441 7.280 1.00 11.53 H new ATOM 1152 N THR A 976 -18.122 -2.013 7.122 1.00 8.68 N ATOM 1153 CA THR A 976 -18.333 -0.574 7.273 1.00 12.38 C ATOM 1154 C THR A 976 -17.461 -0.105 8.432 1.00 12.11 C ATOM 1155 O THR A 976 -17.552 -0.644 9.540 1.00 11.11 O ATOM 1156 CB THR A 976 -19.787 -0.257 7.588 1.00 10.07 C ATOM 1157 OG1 THR A 976 -20.528 -0.889 6.551 1.00 11.55 O ATOM 1158 CG2 THR A 976 -20.031 1.256 7.627 1.00 13.86 C ATOM 0 H THR A 976 -18.591 -2.581 7.827 1.00 8.68 H new ATOM 0 HA THR A 976 -18.075 -0.070 6.342 1.00 12.38 H new ATOM 0 HB THR A 976 -20.085 -0.618 8.572 1.00 10.07 H new ATOM 0 HG1 THR A 976 -21.485 -0.729 6.688 1.00 11.55 H new ATOM 0 HG21 THR A 976 -21.079 1.450 7.854 1.00 13.86 H new ATOM 0 HG22 THR A 976 -19.404 1.706 8.396 1.00 13.86 H new ATOM 0 HG23 THR A 976 -19.784 1.689 6.658 1.00 13.86 H new ATOM 1166 N ILE A 977 -16.589 0.870 8.208 1.00 8.14 N ATOM 1167 CA ILE A 977 -15.546 1.202 9.147 1.00 7.06 C ATOM 1168 C ILE A 977 -15.700 2.682 9.497 1.00 9.06 C ATOM 1169 O ILE A 977 -15.660 3.592 8.657 1.00 11.09 O ATOM 1170 CB ILE A 977 -14.176 0.902 8.478 1.00 8.36 C ATOM 1171 CG1 ILE A 977 -14.028 -0.545 8.067 1.00 10.32 C ATOM 1172 CG2 ILE A 977 -13.048 1.292 9.409 1.00 7.99 C ATOM 1173 CD1 ILE A 977 -12.821 -0.825 7.159 1.00 10.56 C ATOM 0 H ILE A 977 -16.592 1.448 7.368 1.00 8.14 H new ATOM 0 HA ILE A 977 -15.608 0.616 10.064 1.00 7.06 H new ATOM 0 HB ILE A 977 -14.131 1.499 7.567 1.00 8.36 H new ATOM 0 HG12 ILE A 977 -13.943 -1.158 8.964 1.00 10.32 H new ATOM 0 HG13 ILE A 977 -14.936 -0.859 7.552 1.00 10.32 H new ATOM 0 HG21 ILE A 977 -12.092 1.078 8.932 1.00 7.99 H new ATOM 0 HG22 ILE A 977 -13.112 2.357 9.632 1.00 7.99 H new ATOM 0 HG23 ILE A 977 -13.127 0.722 10.335 1.00 7.99 H new ATOM 0 HD11 ILE A 977 -12.790 -1.886 6.912 1.00 10.56 H new ATOM 0 HD12 ILE A 977 -12.912 -0.242 6.243 1.00 10.56 H new ATOM 0 HD13 ILE A 977 -11.903 -0.546 7.677 1.00 10.56 H new ATOM 1185 N SER A 978 -15.804 2.934 10.796 1.00 8.81 N ATOM 1186 CA SER A 978 -15.963 4.299 11.268 1.00 7.83 C ATOM 1187 C SER A 978 -14.634 5.012 11.125 1.00 7.30 C ATOM 1188 O SER A 978 -13.621 4.321 11.183 1.00 11.14 O ATOM 1189 CB SER A 978 -16.435 4.290 12.729 1.00 8.20 C ATOM 1190 OG SER A 978 -15.580 3.543 13.606 1.00 15.98 O ATOM 0 H SER A 978 -15.781 2.224 11.528 1.00 8.81 H new ATOM 0 HA SER A 978 -16.715 4.824 10.679 1.00 7.83 H new ATOM 0 HB2 SER A 978 -16.500 5.317 13.087 1.00 8.20 H new ATOM 0 HB3 SER A 978 -17.441 3.873 12.774 1.00 8.20 H new ATOM 0 HG SER A 978 -15.994 2.678 13.808 1.00 15.98 H new ATOM 1196 N PRO A 979 -14.533 6.336 11.066 1.00 11.54 N ATOM 1197 CA PRO A 979 -13.293 7.071 10.840 1.00 7.44 C ATOM 1198 C PRO A 979 -12.234 6.751 11.859 1.00 8.77 C ATOM 1199 O PRO A 979 -11.068 6.709 11.499 1.00 14.50 O ATOM 1200 CB PRO A 979 -13.666 8.504 11.033 1.00 14.11 C ATOM 1201 CG PRO A 979 -15.102 8.542 10.652 1.00 16.36 C ATOM 1202 CD PRO A 979 -15.655 7.247 11.191 1.00 16.21 C ATOM 0 HA PRO A 979 -12.889 6.823 9.858 1.00 7.44 H new ATOM 0 HB2 PRO A 979 -13.516 8.823 12.064 1.00 14.11 H new ATOM 0 HB3 PRO A 979 -13.066 9.163 10.405 1.00 14.11 H new ATOM 0 HG2 PRO A 979 -15.608 9.404 11.087 1.00 16.36 H new ATOM 0 HG3 PRO A 979 -15.227 8.611 9.571 1.00 16.36 H new ATOM 0 HD2 PRO A 979 -15.980 7.347 12.227 1.00 16.21 H new ATOM 0 HD3 PRO A 979 -16.517 6.907 10.618 1.00 16.21 H new ATOM 1210 N ASP A 980 -12.591 6.531 13.120 1.00 10.39 N ATOM 1211 CA ASP A 980 -11.617 6.182 14.128 1.00 11.10 C ATOM 1212 C ASP A 980 -10.993 4.806 13.943 1.00 20.89 C ATOM 1213 O ASP A 980 -9.973 4.512 14.550 1.00 18.96 O ATOM 1214 CB ASP A 980 -12.181 6.336 15.536 1.00 10.92 C ATOM 1215 CG ASP A 980 -13.338 5.427 15.896 1.00 22.06 C ATOM 1216 OD1 ASP A 980 -14.312 5.416 15.160 1.00 22.96 O ATOM 1217 OD2 ASP A 980 -13.267 4.744 16.914 1.00 25.87 O ATOM 0 H ASP A 980 -13.551 6.590 13.461 1.00 10.39 H new ATOM 0 HA ASP A 980 -10.807 6.899 13.995 1.00 11.10 H new ATOM 0 HB2 ASP A 980 -11.375 6.163 16.249 1.00 10.92 H new ATOM 0 HB3 ASP A 980 -12.504 7.369 15.665 1.00 10.92 H new ATOM 1222 N TYR A 981 -11.577 3.944 13.112 1.00 15.31 N ATOM 1223 CA TYR A 981 -10.982 2.650 12.777 1.00 10.00 C ATOM 1224 C TYR A 981 -10.345 2.677 11.392 1.00 10.44 C ATOM 1225 O TYR A 981 -9.896 1.651 10.873 1.00 9.56 O ATOM 1226 CB TYR A 981 -12.047 1.569 12.848 1.00 12.34 C ATOM 1227 CG TYR A 981 -12.184 0.979 14.235 1.00 12.21 C ATOM 1228 CD1 TYR A 981 -12.388 1.818 15.304 1.00 19.81 C ATOM 1229 CD2 TYR A 981 -12.063 -0.386 14.421 1.00 9.98 C ATOM 1230 CE1 TYR A 981 -12.477 1.299 16.574 1.00 32.48 C ATOM 1231 CE2 TYR A 981 -12.176 -0.913 15.692 1.00 13.63 C ATOM 1232 CZ TYR A 981 -12.408 -0.065 16.754 1.00 40.19 C ATOM 1233 OH TYR A 981 -12.626 -0.577 18.016 1.00 35.14 O ATOM 0 H TYR A 981 -12.471 4.121 12.654 1.00 15.31 H new ATOM 0 HA TYR A 981 -10.195 2.433 13.499 1.00 10.00 H new ATOM 0 HB2 TYR A 981 -13.005 1.987 12.538 1.00 12.34 H new ATOM 0 HB3 TYR A 981 -11.802 0.776 12.142 1.00 12.34 H new ATOM 0 HD1 TYR A 981 -12.478 2.883 15.147 1.00 19.81 H new ATOM 0 HD2 TYR A 981 -11.881 -1.035 13.577 1.00 9.98 H new ATOM 0 HE1 TYR A 981 -12.600 1.955 17.423 1.00 32.48 H new ATOM 0 HE2 TYR A 981 -12.084 -1.977 15.852 1.00 13.63 H new ATOM 0 HH TYR A 981 -12.546 -1.553 17.991 1.00 35.14 H new ATOM 1243 N ALA A 982 -10.290 3.859 10.777 1.00 9.86 N ATOM 1244 CA ALA A 982 -9.829 4.053 9.422 1.00 6.99 C ATOM 1245 C ALA A 982 -8.827 5.223 9.491 1.00 13.78 C ATOM 1246 O ALA A 982 -7.834 5.113 10.199 1.00 14.63 O ATOM 1247 CB ALA A 982 -11.040 4.409 8.594 1.00 4.72 C ATOM 0 H ALA A 982 -10.576 4.727 11.230 1.00 9.86 H new ATOM 0 HA ALA A 982 -9.350 3.179 8.981 1.00 6.99 H new ATOM 0 HB1 ALA A 982 -10.739 4.566 7.558 1.00 4.72 H new ATOM 0 HB2 ALA A 982 -11.765 3.597 8.642 1.00 4.72 H new ATOM 0 HB3 ALA A 982 -11.491 5.322 8.983 1.00 4.72 H new ATOM 1253 N TYR A 983 -8.995 6.377 8.867 1.00 10.57 N ATOM 1254 CA TYR A 983 -7.999 7.437 8.838 1.00 7.88 C ATOM 1255 C TYR A 983 -8.320 8.635 9.704 1.00 9.94 C ATOM 1256 O TYR A 983 -7.593 9.634 9.669 1.00 11.53 O ATOM 1257 CB TYR A 983 -7.789 7.872 7.371 1.00 8.60 C ATOM 1258 CG TYR A 983 -7.267 6.757 6.463 1.00 11.16 C ATOM 1259 CD1 TYR A 983 -5.935 6.369 6.532 1.00 10.94 C ATOM 1260 CD2 TYR A 983 -8.146 6.086 5.633 1.00 6.14 C ATOM 1261 CE1 TYR A 983 -5.484 5.272 5.808 1.00 14.49 C ATOM 1262 CE2 TYR A 983 -7.703 4.993 4.899 1.00 13.98 C ATOM 1263 CZ TYR A 983 -6.375 4.601 4.995 1.00 14.00 C ATOM 1264 OH TYR A 983 -5.929 3.540 4.258 1.00 10.90 O ATOM 0 H TYR A 983 -9.846 6.609 8.355 1.00 10.57 H new ATOM 0 HA TYR A 983 -7.086 7.023 9.267 1.00 7.88 H new ATOM 0 HB2 TYR A 983 -8.735 8.239 6.972 1.00 8.60 H new ATOM 0 HB3 TYR A 983 -7.087 8.706 7.346 1.00 8.60 H new ATOM 0 HD1 TYR A 983 -5.246 6.923 7.152 1.00 10.94 H new ATOM 0 HD2 TYR A 983 -9.173 6.410 5.556 1.00 6.14 H new ATOM 0 HE1 TYR A 983 -4.456 4.950 5.880 1.00 14.49 H new ATOM 0 HE2 TYR A 983 -8.386 4.453 4.259 1.00 13.98 H new ATOM 0 HH TYR A 983 -6.671 3.169 3.736 1.00 10.90 H new ATOM 1274 N GLY A 984 -9.431 8.608 10.449 1.00 8.29 N ATOM 1275 CA GLY A 984 -9.661 9.564 11.519 1.00 13.72 C ATOM 1276 C GLY A 984 -9.799 11.003 11.082 1.00 9.49 C ATOM 1277 O GLY A 984 -10.273 11.304 9.994 1.00 10.37 O ATOM 0 H GLY A 984 -10.182 7.929 10.324 1.00 8.29 H new ATOM 0 HA2 GLY A 984 -10.566 9.276 12.053 1.00 13.72 H new ATOM 0 HA3 GLY A 984 -8.837 9.495 12.229 1.00 13.72 H new ATOM 1281 N ALA A 985 -9.343 11.921 11.923 1.00 11.50 N ATOM 1282 CA ALA A 985 -9.602 13.314 11.633 1.00 14.29 C ATOM 1283 C ALA A 985 -8.636 13.870 10.605 1.00 19.90 C ATOM 1284 O ALA A 985 -8.843 14.934 10.052 1.00 19.35 O ATOM 1285 CB ALA A 985 -9.513 14.109 12.912 1.00 13.93 C ATOM 0 H ALA A 985 -8.814 11.734 12.775 1.00 11.50 H new ATOM 0 HA ALA A 985 -10.603 13.394 11.209 1.00 14.29 H new ATOM 0 HB1 ALA A 985 -9.707 15.161 12.701 1.00 13.93 H new ATOM 0 HB2 ALA A 985 -10.252 13.739 13.623 1.00 13.93 H new ATOM 0 HB3 ALA A 985 -8.515 14.003 13.338 1.00 13.93 H new ATOM 1291 N THR A 986 -7.588 13.151 10.270 1.00 11.93 N ATOM 1292 CA THR A 986 -6.600 13.635 9.326 1.00 26.11 C ATOM 1293 C THR A 986 -6.890 13.171 7.910 1.00 19.04 C ATOM 1294 O THR A 986 -6.555 13.873 6.954 1.00 18.38 O ATOM 1295 CB THR A 986 -5.159 13.286 9.818 1.00 18.88 C ATOM 1296 OG1 THR A 986 -4.392 12.730 8.768 1.00 46.16 O ATOM 1297 CG2 THR A 986 -5.090 12.401 11.060 1.00 35.65 C ATOM 0 H THR A 986 -7.395 12.220 10.640 1.00 11.93 H new ATOM 0 HA THR A 986 -6.663 14.722 9.284 1.00 26.11 H new ATOM 0 HB THR A 986 -4.733 14.240 10.128 1.00 18.88 H new ATOM 0 HG1 THR A 986 -3.493 12.520 9.096 1.00 46.16 H new ATOM 0 HG21 THR A 986 -4.047 12.218 11.319 1.00 35.65 H new ATOM 0 HG22 THR A 986 -5.588 12.901 11.891 1.00 35.65 H new ATOM 0 HG23 THR A 986 -5.586 11.452 10.858 1.00 35.65 H new ATOM 1305 N GLY A 987 -7.455 11.967 7.775 1.00 14.37 N ATOM 1306 CA GLY A 987 -7.720 11.400 6.472 1.00 8.67 C ATOM 1307 C GLY A 987 -6.409 10.853 5.897 1.00 8.93 C ATOM 1308 O GLY A 987 -5.386 10.695 6.577 1.00 15.03 O ATOM 0 H GLY A 987 -7.733 11.376 8.558 1.00 14.37 H new ATOM 0 HA2 GLY A 987 -8.460 10.603 6.550 1.00 8.67 H new ATOM 0 HA3 GLY A 987 -8.137 12.158 5.808 1.00 8.67 H new ATOM 1312 N HIS A 988 -6.455 10.498 4.621 1.00 11.92 N ATOM 1313 CA HIS A 988 -5.300 9.991 3.931 1.00 13.18 C ATOM 1314 C HIS A 988 -5.086 10.985 2.809 1.00 8.36 C ATOM 1315 O HIS A 988 -5.894 11.041 1.871 1.00 12.76 O ATOM 1316 CB HIS A 988 -5.588 8.609 3.367 1.00 12.71 C ATOM 1317 CG HIS A 988 -4.342 8.033 2.696 1.00 10.84 C ATOM 1318 ND1 HIS A 988 -4.198 7.916 1.339 1.00 16.17 N flip ATOM 1319 CD2 HIS A 988 -3.215 7.618 3.274 1.00 11.90 C flip ATOM 1320 CE1 HIS A 988 -3.001 7.447 1.163 1.00 10.11 C flip ATOM 1321 NE2 HIS A 988 -2.386 7.271 2.309 1.00 16.02 N flip ATOM 0 H HIS A 988 -7.295 10.557 4.046 1.00 11.92 H new ATOM 0 HA HIS A 988 -4.429 9.889 4.578 1.00 13.18 H new ATOM 0 HB2 HIS A 988 -5.917 7.945 4.166 1.00 12.71 H new ATOM 0 HB3 HIS A 988 -6.403 8.667 2.645 1.00 12.71 H new ATOM 0 HD2 HIS A 988 -3.018 7.574 4.335 1.00 11.90 H new ATOM 0 HE1 HIS A 988 -2.567 7.230 0.198 1.00 10.11 H new ATOM 0 HE2 HIS A 988 -1.434 6.926 2.432 1.00 16.02 H new ATOM 1329 N PRO A 989 -4.020 11.783 2.870 1.00 20.43 N ATOM 1330 CA PRO A 989 -3.782 12.923 1.987 1.00 40.00 C ATOM 1331 C PRO A 989 -3.975 12.638 0.512 1.00 16.70 C ATOM 1332 O PRO A 989 -3.499 11.633 -0.015 1.00 31.15 O ATOM 1333 CB PRO A 989 -2.351 13.288 2.293 1.00 47.23 C ATOM 1334 CG PRO A 989 -1.738 12.035 2.877 1.00 43.23 C ATOM 1335 CD PRO A 989 -2.881 11.581 3.760 1.00 45.60 C ATOM 0 HA PRO A 989 -4.504 13.719 2.170 1.00 40.00 H new ATOM 0 HB2 PRO A 989 -1.823 13.601 1.392 1.00 47.23 H new ATOM 0 HB3 PRO A 989 -2.298 14.118 2.998 1.00 47.23 H new ATOM 0 HG2 PRO A 989 -1.482 11.300 2.114 1.00 43.23 H new ATOM 0 HG3 PRO A 989 -0.828 12.239 3.442 1.00 43.23 H new ATOM 0 HD2 PRO A 989 -2.777 10.540 4.066 1.00 45.60 H new ATOM 0 HD3 PRO A 989 -2.959 12.175 4.671 1.00 45.60 H new ATOM 1343 N GLY A 990 -4.797 13.473 -0.096 1.00 17.71 N ATOM 1344 CA GLY A 990 -5.077 13.362 -1.501 1.00 14.18 C ATOM 1345 C GLY A 990 -6.228 12.437 -1.793 1.00 19.36 C ATOM 1346 O GLY A 990 -6.817 12.544 -2.858 1.00 25.36 O ATOM 0 H GLY A 990 -5.282 14.239 0.372 1.00 17.71 H new ATOM 0 HA2 GLY A 990 -5.300 14.351 -1.902 1.00 14.18 H new ATOM 0 HA3 GLY A 990 -4.187 13.002 -2.017 1.00 14.18 H new ATOM 1350 N ILE A 991 -6.610 11.519 -0.901 1.00 19.64 N ATOM 1351 CA ILE A 991 -7.528 10.449 -1.267 1.00 16.74 C ATOM 1352 C ILE A 991 -8.715 10.454 -0.297 1.00 14.30 C ATOM 1353 O ILE A 991 -9.864 10.572 -0.713 1.00 16.09 O ATOM 1354 CB ILE A 991 -6.788 9.071 -1.276 1.00 18.90 C ATOM 1355 CG1 ILE A 991 -5.510 9.093 -2.135 1.00 20.70 C ATOM 1356 CG2 ILE A 991 -7.742 7.986 -1.756 1.00 14.95 C ATOM 1357 CD1 ILE A 991 -4.599 7.842 -2.103 1.00 13.02 C ATOM 0 H ILE A 991 -6.299 11.499 0.070 1.00 19.64 H new ATOM 0 HA ILE A 991 -7.906 10.613 -2.276 1.00 16.74 H new ATOM 0 HB ILE A 991 -6.471 8.856 -0.256 1.00 18.90 H new ATOM 0 HG12 ILE A 991 -5.805 9.267 -3.170 1.00 20.70 H new ATOM 0 HG13 ILE A 991 -4.913 9.951 -1.825 1.00 20.70 H new ATOM 0 HG21 ILE A 991 -7.227 7.025 -1.763 1.00 14.95 H new ATOM 0 HG22 ILE A 991 -8.600 7.933 -1.086 1.00 14.95 H new ATOM 0 HG23 ILE A 991 -8.083 8.222 -2.764 1.00 14.95 H new ATOM 0 HD11 ILE A 991 -3.739 8.001 -2.754 1.00 13.02 H new ATOM 0 HD12 ILE A 991 -4.255 7.669 -1.083 1.00 13.02 H new ATOM 0 HD13 ILE A 991 -5.160 6.974 -2.449 1.00 13.02 H new ATOM 1369 N ILE A 992 -8.507 10.340 1.021 1.00 20.63 N ATOM 1370 CA ILE A 992 -9.618 10.144 1.958 1.00 9.02 C ATOM 1371 C ILE A 992 -9.684 11.423 2.784 1.00 10.99 C ATOM 1372 O ILE A 992 -8.661 11.788 3.369 1.00 8.91 O ATOM 1373 CB ILE A 992 -9.365 8.911 2.872 1.00 13.49 C ATOM 1374 CG1 ILE A 992 -9.114 7.598 2.128 1.00 15.53 C ATOM 1375 CG2 ILE A 992 -10.457 8.732 3.895 1.00 11.43 C ATOM 1376 CD1 ILE A 992 -10.193 7.120 1.190 1.00 11.48 C ATOM 0 H ILE A 992 -7.587 10.380 1.459 1.00 20.63 H new ATOM 0 HA ILE A 992 -10.554 9.952 1.434 1.00 9.02 H new ATOM 0 HB ILE A 992 -8.431 9.149 3.382 1.00 13.49 H new ATOM 0 HG12 ILE A 992 -8.192 7.705 1.556 1.00 15.53 H new ATOM 0 HG13 ILE A 992 -8.941 6.818 2.869 1.00 15.53 H new ATOM 0 HG21 ILE A 992 -10.239 7.860 4.511 1.00 11.43 H new ATOM 0 HG22 ILE A 992 -10.512 9.618 4.527 1.00 11.43 H new ATOM 0 HG23 ILE A 992 -11.411 8.589 3.388 1.00 11.43 H new ATOM 0 HD11 ILE A 992 -9.886 6.181 0.730 1.00 11.48 H new ATOM 0 HD12 ILE A 992 -11.117 6.966 1.747 1.00 11.48 H new ATOM 0 HD13 ILE A 992 -10.357 7.867 0.413 1.00 11.48 H new ATOM 1388 N PRO A 993 -10.829 12.122 2.848 1.00 14.31 N ATOM 1389 CA PRO A 993 -11.026 13.330 3.662 1.00 8.63 C ATOM 1390 C PRO A 993 -11.044 13.020 5.173 1.00 11.44 C ATOM 1391 O PRO A 993 -11.262 11.859 5.567 1.00 9.68 O ATOM 1392 CB PRO A 993 -12.442 13.798 3.232 1.00 13.25 C ATOM 1393 CG PRO A 993 -12.903 12.937 2.090 1.00 14.48 C ATOM 1394 CD PRO A 993 -12.107 11.670 2.275 1.00 23.63 C ATOM 0 HA PRO A 993 -10.229 14.058 3.512 1.00 8.63 H new ATOM 0 HB2 PRO A 993 -13.137 13.721 4.069 1.00 13.25 H new ATOM 0 HB3 PRO A 993 -12.420 14.846 2.931 1.00 13.25 H new ATOM 0 HG2 PRO A 993 -13.976 12.749 2.134 1.00 14.48 H new ATOM 0 HG3 PRO A 993 -12.700 13.403 1.126 1.00 14.48 H new ATOM 0 HD2 PRO A 993 -12.617 10.974 2.941 1.00 23.63 H new ATOM 0 HD3 PRO A 993 -11.957 11.153 1.327 1.00 23.63 H new ATOM 1402 N PRO A 994 -10.867 14.023 6.065 1.00 17.49 N ATOM 1403 CA PRO A 994 -11.104 13.887 7.494 1.00 10.43 C ATOM 1404 C PRO A 994 -12.505 13.347 7.746 1.00 8.59 C ATOM 1405 O PRO A 994 -13.483 13.653 7.052 1.00 9.95 O ATOM 1406 CB PRO A 994 -11.005 15.325 7.981 1.00 9.89 C ATOM 1407 CG PRO A 994 -9.957 15.934 7.099 1.00 12.29 C ATOM 1408 CD PRO A 994 -10.430 15.389 5.756 1.00 16.81 C ATOM 0 HA PRO A 994 -10.413 13.205 7.989 1.00 10.43 H new ATOM 0 HB2 PRO A 994 -11.958 15.845 7.886 1.00 9.89 H new ATOM 0 HB3 PRO A 994 -10.719 15.372 9.032 1.00 9.89 H new ATOM 0 HG2 PRO A 994 -9.957 17.023 7.135 1.00 12.29 H new ATOM 0 HG3 PRO A 994 -8.949 15.607 7.355 1.00 12.29 H new ATOM 0 HD2 PRO A 994 -11.245 15.986 5.347 1.00 16.81 H new ATOM 0 HD3 PRO A 994 -9.628 15.395 5.017 1.00 16.81 H new ATOM 1416 N HIS A 995 -12.555 12.496 8.775 1.00 7.49 N ATOM 1417 CA HIS A 995 -13.809 11.986 9.303 1.00 11.47 C ATOM 1418 C HIS A 995 -14.604 11.213 8.252 1.00 10.68 C ATOM 1419 O HIS A 995 -15.833 11.276 8.274 1.00 12.00 O ATOM 1420 CB HIS A 995 -14.640 13.158 9.879 1.00 13.33 C ATOM 1421 CG HIS A 995 -15.773 12.699 10.767 1.00 12.75 C ATOM 1422 ND1 HIS A 995 -17.080 12.723 10.522 1.00 23.48 N ATOM 1423 CD2 HIS A 995 -15.581 12.167 12.019 1.00 20.24 C ATOM 1424 CE1 HIS A 995 -17.699 12.245 11.579 1.00 16.30 C ATOM 1425 NE2 HIS A 995 -16.782 11.916 12.468 1.00 28.26 N ATOM 0 H HIS A 995 -11.728 12.147 9.259 1.00 7.49 H new ATOM 0 HA HIS A 995 -13.581 11.279 10.101 1.00 11.47 H new ATOM 0 HB2 HIS A 995 -13.984 13.816 10.448 1.00 13.33 H new ATOM 0 HB3 HIS A 995 -15.046 13.747 9.056 1.00 13.33 H new ATOM 0 HD2 HIS A 995 -14.641 11.994 12.523 1.00 20.24 H new ATOM 0 HE1 HIS A 995 -18.767 12.140 11.698 1.00 16.30 H new ATOM 0 HE2 HIS A 995 -16.984 11.518 13.385 1.00 28.26 H new ATOM 1433 N ALA A 996 -13.970 10.441 7.363 1.00 5.88 N ATOM 1434 CA ALA A 996 -14.730 9.643 6.427 1.00 6.75 C ATOM 1435 C ALA A 996 -15.009 8.228 6.948 1.00 16.10 C ATOM 1436 O ALA A 996 -14.130 7.564 7.524 1.00 13.72 O ATOM 1437 CB ALA A 996 -14.000 9.512 5.093 1.00 7.08 C ATOM 0 H ALA A 996 -12.957 10.360 7.281 1.00 5.88 H new ATOM 0 HA ALA A 996 -15.676 10.169 6.297 1.00 6.75 H new ATOM 0 HB1 ALA A 996 -14.596 8.907 4.410 1.00 7.08 H new ATOM 0 HB2 ALA A 996 -13.848 10.502 4.663 1.00 7.08 H new ATOM 0 HB3 ALA A 996 -13.034 9.034 5.253 1.00 7.08 H new ATOM 1443 N THR A 997 -16.273 7.793 6.808 1.00 11.69 N ATOM 1444 CA THR A 997 -16.675 6.405 6.994 1.00 10.07 C ATOM 1445 C THR A 997 -16.368 5.641 5.682 1.00 7.93 C ATOM 1446 O THR A 997 -16.680 6.133 4.588 1.00 13.22 O ATOM 1447 CB THR A 997 -18.198 6.314 7.399 1.00 15.74 C ATOM 1448 OG1 THR A 997 -18.355 7.003 8.644 1.00 14.12 O ATOM 1449 CG2 THR A 997 -18.712 4.873 7.547 1.00 11.48 C ATOM 0 H THR A 997 -17.047 8.410 6.559 1.00 11.69 H new ATOM 0 HA THR A 997 -16.117 5.948 7.811 1.00 10.07 H new ATOM 0 HB THR A 997 -18.786 6.764 6.599 1.00 15.74 H new ATOM 0 HG1 THR A 997 -19.294 6.966 8.922 1.00 14.12 H new ATOM 0 HG21 THR A 997 -19.765 4.889 7.827 1.00 11.48 H new ATOM 0 HG22 THR A 997 -18.596 4.346 6.600 1.00 11.48 H new ATOM 0 HG23 THR A 997 -18.140 4.360 8.320 1.00 11.48 H new ATOM 1457 N LEU A 998 -15.738 4.461 5.774 1.00 11.13 N ATOM 1458 CA LEU A 998 -15.293 3.718 4.603 1.00 12.13 C ATOM 1459 C LEU A 998 -16.101 2.441 4.533 1.00 8.98 C ATOM 1460 O LEU A 998 -16.384 1.806 5.549 1.00 7.48 O ATOM 1461 CB LEU A 998 -13.777 3.349 4.650 1.00 5.98 C ATOM 1462 CG LEU A 998 -12.774 4.473 4.881 1.00 14.61 C ATOM 1463 CD1 LEU A 998 -11.334 3.960 4.813 1.00 10.49 C ATOM 1464 CD2 LEU A 998 -13.019 5.614 3.904 1.00 10.50 C ATOM 0 H LEU A 998 -15.527 4.003 6.661 1.00 11.13 H new ATOM 0 HA LEU A 998 -15.439 4.351 3.728 1.00 12.13 H new ATOM 0 HB2 LEU A 998 -13.638 2.610 5.439 1.00 5.98 H new ATOM 0 HB3 LEU A 998 -13.522 2.862 3.708 1.00 5.98 H new ATOM 0 HG LEU A 998 -12.921 4.862 5.889 1.00 14.61 H new ATOM 0 HD11 LEU A 998 -10.645 4.787 4.982 1.00 10.49 H new ATOM 0 HD12 LEU A 998 -11.182 3.199 5.579 1.00 10.49 H new ATOM 0 HD13 LEU A 998 -11.148 3.528 3.830 1.00 10.49 H new ATOM 0 HD21 LEU A 998 -12.294 6.408 4.083 1.00 10.50 H new ATOM 0 HD22 LEU A 998 -12.912 5.248 2.883 1.00 10.50 H new ATOM 0 HD23 LEU A 998 -14.027 6.004 4.046 1.00 10.50 H new ATOM 1476 N VAL A 999 -16.485 2.070 3.325 1.00 9.66 N ATOM 1477 CA VAL A 999 -17.058 0.758 3.127 1.00 9.32 C ATOM 1478 C VAL A 999 -16.189 -0.022 2.142 1.00 8.48 C ATOM 1479 O VAL A 999 -15.764 0.481 1.108 1.00 8.62 O ATOM 1480 CB VAL A 999 -18.594 0.759 2.806 1.00 9.81 C ATOM 1481 CG1 VAL A 999 -19.332 1.837 3.586 1.00 2.00 C ATOM 1482 CG2 VAL A 999 -18.982 0.782 1.367 1.00 14.46 C ATOM 0 H VAL A 999 -16.412 2.646 2.486 1.00 9.66 H new ATOM 0 HA VAL A 999 -17.040 0.227 4.079 1.00 9.32 H new ATOM 0 HB VAL A 999 -18.912 -0.227 3.144 1.00 9.81 H new ATOM 0 HG11 VAL A 999 -20.393 1.805 3.336 1.00 2.00 H new ATOM 0 HG12 VAL A 999 -19.206 1.664 4.655 1.00 2.00 H new ATOM 0 HG13 VAL A 999 -18.927 2.815 3.327 1.00 2.00 H new ATOM 0 HG21 VAL A 999 -20.069 0.780 1.283 1.00 14.46 H new ATOM 0 HG22 VAL A 999 -18.583 1.681 0.897 1.00 14.46 H new ATOM 0 HG23 VAL A 999 -18.578 -0.098 0.867 1.00 14.46 H new ATOM 1492 N PHE A1000 -15.813 -1.229 2.560 1.00 12.47 N ATOM 1493 CA PHE A1000 -15.036 -2.135 1.733 1.00 11.83 C ATOM 1494 C PHE A1000 -15.811 -3.413 1.447 1.00 11.96 C ATOM 1495 O PHE A1000 -16.467 -3.975 2.327 1.00 14.60 O ATOM 1496 CB PHE A1000 -13.690 -2.515 2.374 1.00 9.84 C ATOM 1497 CG PHE A1000 -12.650 -1.402 2.372 1.00 12.64 C ATOM 1498 CD1 PHE A1000 -12.629 -0.473 3.411 1.00 11.18 C ATOM 1499 CD2 PHE A1000 -11.669 -1.368 1.372 1.00 9.23 C ATOM 1500 CE1 PHE A1000 -11.604 0.459 3.475 1.00 9.63 C ATOM 1501 CE2 PHE A1000 -10.669 -0.421 1.450 1.00 8.47 C ATOM 1502 CZ PHE A1000 -10.630 0.486 2.494 1.00 10.83 C ATOM 0 H PHE A1000 -16.041 -1.601 3.482 1.00 12.47 H new ATOM 0 HA PHE A1000 -14.839 -1.597 0.806 1.00 11.83 H new ATOM 0 HB2 PHE A1000 -13.868 -2.826 3.403 1.00 9.84 H new ATOM 0 HB3 PHE A1000 -13.282 -3.377 1.846 1.00 9.84 H new ATOM 0 HD1 PHE A1000 -13.406 -0.479 4.161 1.00 11.18 H new ATOM 0 HD2 PHE A1000 -11.695 -2.072 0.553 1.00 9.23 H new ATOM 0 HE1 PHE A1000 -11.567 1.164 4.292 1.00 9.63 H new ATOM 0 HE2 PHE A1000 -9.906 -0.387 0.686 1.00 8.47 H new ATOM 0 HZ PHE A1000 -9.837 1.217 2.543 1.00 10.83 H new ATOM 1512 N ASP A1001 -15.700 -3.892 0.221 1.00 6.70 N ATOM 1513 CA ASP A1001 -16.125 -5.240 -0.135 1.00 7.98 C ATOM 1514 C ASP A1001 -14.853 -6.094 -0.118 1.00 7.35 C ATOM 1515 O ASP A1001 -13.943 -5.808 -0.887 1.00 12.17 O ATOM 1516 CB ASP A1001 -16.781 -5.112 -1.514 1.00 10.14 C ATOM 1517 CG ASP A1001 -17.142 -6.349 -2.293 1.00 9.95 C ATOM 1518 OD1 ASP A1001 -16.839 -7.462 -1.880 1.00 11.11 O ATOM 1519 OD2 ASP A1001 -17.700 -6.170 -3.361 1.00 15.34 O ATOM 0 H ASP A1001 -15.313 -3.360 -0.558 1.00 6.70 H new ATOM 0 HA ASP A1001 -16.846 -5.709 0.535 1.00 7.98 H new ATOM 0 HB2 ASP A1001 -17.695 -4.531 -1.386 1.00 10.14 H new ATOM 0 HB3 ASP A1001 -16.112 -4.520 -2.138 1.00 10.14 H new ATOM 1524 N VAL A1002 -14.726 -7.098 0.745 1.00 5.55 N ATOM 1525 CA VAL A1002 -13.513 -7.850 0.929 1.00 7.61 C ATOM 1526 C VAL A1002 -13.856 -9.317 0.781 1.00 8.52 C ATOM 1527 O VAL A1002 -14.806 -9.826 1.381 1.00 9.25 O ATOM 1528 CB VAL A1002 -12.886 -7.614 2.325 1.00 7.15 C ATOM 1529 CG1 VAL A1002 -11.596 -8.409 2.456 1.00 15.13 C ATOM 1530 CG2 VAL A1002 -12.569 -6.156 2.551 1.00 7.68 C ATOM 0 H VAL A1002 -15.489 -7.410 1.345 1.00 5.55 H new ATOM 0 HA VAL A1002 -12.783 -7.527 0.187 1.00 7.61 H new ATOM 0 HB VAL A1002 -13.615 -7.939 3.068 1.00 7.15 H new ATOM 0 HG11 VAL A1002 -11.161 -8.237 3.441 1.00 15.13 H new ATOM 0 HG12 VAL A1002 -11.809 -9.471 2.333 1.00 15.13 H new ATOM 0 HG13 VAL A1002 -10.892 -8.089 1.688 1.00 15.13 H new ATOM 0 HG21 VAL A1002 -12.131 -6.028 3.541 1.00 7.68 H new ATOM 0 HG22 VAL A1002 -11.862 -5.816 1.794 1.00 7.68 H new ATOM 0 HG23 VAL A1002 -13.485 -5.569 2.482 1.00 7.68 H new ATOM 1540 N GLU A1003 -13.069 -10.005 -0.034 1.00 7.96 N ATOM 1541 CA GLU A1003 -13.231 -11.432 -0.223 1.00 9.92 C ATOM 1542 C GLU A1003 -11.956 -12.122 0.247 1.00 13.06 C ATOM 1543 O GLU A1003 -10.869 -11.859 -0.295 1.00 12.50 O ATOM 1544 CB GLU A1003 -13.532 -11.723 -1.671 1.00 5.36 C ATOM 1545 CG GLU A1003 -13.811 -13.217 -1.797 1.00 13.32 C ATOM 1546 CD GLU A1003 -14.085 -13.792 -3.199 1.00 26.98 C ATOM 1547 OE1 GLU A1003 -13.948 -13.080 -4.191 1.00 18.82 O ATOM 1548 OE2 GLU A1003 -14.425 -14.975 -3.293 1.00 35.49 O ATOM 0 H GLU A1003 -12.310 -9.592 -0.575 1.00 7.96 H new ATOM 0 HA GLU A1003 -14.069 -11.812 0.361 1.00 9.92 H new ATOM 0 HB2 GLU A1003 -14.392 -11.144 -2.006 1.00 5.36 H new ATOM 0 HB3 GLU A1003 -12.690 -11.437 -2.301 1.00 5.36 H new ATOM 0 HG2 GLU A1003 -12.958 -13.751 -1.379 1.00 13.32 H new ATOM 0 HG3 GLU A1003 -14.671 -13.449 -1.168 1.00 13.32 H new ATOM 1555 N LEU A1004 -12.026 -12.986 1.262 1.00 10.24 N ATOM 1556 CA LEU A1004 -10.832 -13.656 1.769 1.00 17.35 C ATOM 1557 C LEU A1004 -10.597 -14.918 0.932 1.00 16.77 C ATOM 1558 O LEU A1004 -11.249 -15.962 1.083 1.00 10.58 O ATOM 1559 CB LEU A1004 -10.931 -14.006 3.269 1.00 6.83 C ATOM 1560 CG LEU A1004 -9.765 -14.714 3.935 1.00 6.78 C ATOM 1561 CD1 LEU A1004 -8.434 -13.973 3.737 1.00 9.81 C ATOM 1562 CD2 LEU A1004 -10.116 -14.921 5.395 1.00 7.93 C ATOM 0 H LEU A1004 -12.890 -13.235 1.744 1.00 10.24 H new ATOM 0 HA LEU A1004 -9.989 -12.971 1.678 1.00 17.35 H new ATOM 0 HB2 LEU A1004 -11.108 -13.078 3.813 1.00 6.83 H new ATOM 0 HB3 LEU A1004 -11.816 -14.628 3.405 1.00 6.83 H new ATOM 0 HG LEU A1004 -9.606 -15.683 3.463 1.00 6.78 H new ATOM 0 HD11 LEU A1004 -7.634 -14.523 4.233 1.00 9.81 H new ATOM 0 HD12 LEU A1004 -8.215 -13.897 2.672 1.00 9.81 H new ATOM 0 HD13 LEU A1004 -8.507 -12.973 4.165 1.00 9.81 H new ATOM 0 HD21 LEU A1004 -9.293 -15.429 5.898 1.00 7.93 H new ATOM 0 HD22 LEU A1004 -10.290 -13.954 5.868 1.00 7.93 H new ATOM 0 HD23 LEU A1004 -11.018 -15.529 5.470 1.00 7.93 H new ATOM 1574 N LEU A1005 -9.625 -14.781 0.036 1.00 12.27 N ATOM 1575 CA LEU A1005 -9.304 -15.838 -0.913 1.00 19.13 C ATOM 1576 C LEU A1005 -8.552 -17.040 -0.313 1.00 26.84 C ATOM 1577 O LEU A1005 -8.886 -18.202 -0.575 1.00 20.98 O ATOM 1578 CB LEU A1005 -8.495 -15.237 -2.068 1.00 11.01 C ATOM 1579 CG LEU A1005 -9.050 -14.097 -2.894 1.00 13.52 C ATOM 1580 CD1 LEU A1005 -7.957 -13.528 -3.796 1.00 15.82 C ATOM 1581 CD2 LEU A1005 -10.271 -14.569 -3.648 1.00 17.08 C ATOM 0 H LEU A1005 -9.046 -13.946 -0.052 1.00 12.27 H new ATOM 0 HA LEU A1005 -10.256 -16.241 -1.257 1.00 19.13 H new ATOM 0 HB2 LEU A1005 -7.546 -14.898 -1.652 1.00 11.01 H new ATOM 0 HB3 LEU A1005 -8.268 -16.051 -2.757 1.00 11.01 H new ATOM 0 HG LEU A1005 -9.374 -13.278 -2.252 1.00 13.52 H new ATOM 0 HD11 LEU A1005 -8.364 -12.708 -4.388 1.00 15.82 H new ATOM 0 HD12 LEU A1005 -7.134 -13.160 -3.183 1.00 15.82 H new ATOM 0 HD13 LEU A1005 -7.592 -14.309 -4.462 1.00 15.82 H new ATOM 0 HD21 LEU A1005 -10.671 -13.748 -4.243 1.00 17.08 H new ATOM 0 HD22 LEU A1005 -9.996 -15.394 -4.306 1.00 17.08 H new ATOM 0 HD23 LEU A1005 -11.028 -14.906 -2.940 1.00 17.08 H new ATOM 1593 N LYS A1006 -7.516 -16.792 0.499 1.00 17.27 N ATOM 1594 CA LYS A1006 -6.519 -17.801 0.834 1.00 22.31 C ATOM 1595 C LYS A1006 -5.689 -17.242 1.978 1.00 15.60 C ATOM 1596 O LYS A1006 -5.569 -16.023 2.156 1.00 15.20 O ATOM 1597 CB LYS A1006 -5.644 -17.946 -0.431 1.00 19.05 C ATOM 1598 CG LYS A1006 -4.372 -18.734 -0.436 1.00 31.96 C ATOM 1599 CD LYS A1006 -3.826 -18.656 -1.854 1.00 34.16 C ATOM 1600 CE LYS A1006 -2.632 -19.611 -1.962 1.00 71.57 C ATOM 1601 NZ LYS A1006 -2.131 -19.723 -3.322 1.00 74.94 N ATOM 0 H LYS A1006 -7.351 -15.886 0.938 1.00 17.27 H new ATOM 0 HA LYS A1006 -6.944 -18.761 1.128 1.00 22.31 H new ATOM 0 HB2 LYS A1006 -6.281 -18.375 -1.205 1.00 19.05 H new ATOM 0 HB3 LYS A1006 -5.388 -16.936 -0.752 1.00 19.05 H new ATOM 0 HG2 LYS A1006 -3.658 -18.324 0.278 1.00 31.96 H new ATOM 0 HG3 LYS A1006 -4.555 -19.769 -0.146 1.00 31.96 H new ATOM 0 HD2 LYS A1006 -4.598 -18.930 -2.574 1.00 34.16 H new ATOM 0 HD3 LYS A1006 -3.519 -17.636 -2.087 1.00 34.16 H new ATOM 0 HE2 LYS A1006 -1.831 -19.261 -1.311 1.00 71.57 H new ATOM 0 HE3 LYS A1006 -2.926 -20.598 -1.604 1.00 71.57 H new ATOM 0 HZ1 LYS A1006 -1.325 -20.380 -3.342 1.00 74.94 H new ATOM 0 HZ2 LYS A1006 -2.885 -20.082 -3.941 1.00 74.94 H new ATOM 0 HZ3 LYS A1006 -1.824 -18.788 -3.657 1.00 74.94 H new ATOM 1614 N LEU A1007 -5.125 -18.146 2.762 1.00 14.99 N ATOM 1615 CA LEU A1007 -4.175 -17.801 3.789 1.00 11.65 C ATOM 1616 C LEU A1007 -2.839 -18.429 3.393 1.00 14.03 C ATOM 1617 O LEU A1007 -2.823 -19.530 2.849 1.00 28.26 O ATOM 1618 CB LEU A1007 -4.669 -18.364 5.116 1.00 18.89 C ATOM 1619 CG LEU A1007 -5.943 -17.792 5.716 1.00 13.45 C ATOM 1620 CD1 LEU A1007 -6.274 -18.554 6.980 1.00 18.28 C ATOM 1621 CD2 LEU A1007 -5.750 -16.294 6.045 1.00 27.57 C ATOM 0 H LEU A1007 -5.320 -19.145 2.698 1.00 14.99 H new ATOM 0 HA LEU A1007 -4.059 -16.722 3.896 1.00 11.65 H new ATOM 0 HB2 LEU A1007 -4.815 -19.436 4.987 1.00 18.89 H new ATOM 0 HB3 LEU A1007 -3.871 -18.237 5.848 1.00 18.89 H new ATOM 0 HG LEU A1007 -6.759 -17.890 5.000 1.00 13.45 H new ATOM 0 HD11 LEU A1007 -7.187 -18.152 7.419 1.00 18.28 H new ATOM 0 HD12 LEU A1007 -6.420 -19.608 6.742 1.00 18.28 H new ATOM 0 HD13 LEU A1007 -5.454 -18.453 7.691 1.00 18.28 H new ATOM 0 HD21 LEU A1007 -6.669 -15.894 6.474 1.00 27.57 H new ATOM 0 HD22 LEU A1007 -4.936 -16.181 6.761 1.00 27.57 H new ATOM 0 HD23 LEU A1007 -5.509 -15.749 5.132 1.00 27.57 H new ATOM 1633 N GLU A1008 -1.737 -17.722 3.604 1.00 20.68 N ATOM 1634 CA GLU A1008 -0.393 -18.247 3.449 1.00 17.07 C ATOM 1635 C GLU A1008 0.396 -17.940 4.737 1.00 21.33 C ATOM 1636 O GLU A1008 -0.143 -17.336 5.670 1.00 47.95 O ATOM 1637 CB GLU A1008 0.277 -17.572 2.285 1.00 24.97 C ATOM 1638 CG GLU A1008 -0.538 -17.698 1.025 1.00 20.19 C ATOM 1639 CD GLU A1008 -0.028 -16.911 -0.162 1.00 30.01 C ATOM 1640 OE1 GLU A1008 0.842 -16.044 -0.029 1.00 31.02 O ATOM 1641 OE2 GLU A1008 -0.536 -17.170 -1.247 1.00 46.48 O ATOM 1642 OXT GLU A1008 1.555 -18.336 4.828 1.00 62.18 O ATOM 0 H GLU A1008 -1.757 -16.744 3.895 1.00 20.68 H new ATOM 0 HA GLU A1008 -0.427 -19.322 3.270 1.00 17.07 H new ATOM 0 HB2 GLU A1008 0.431 -16.518 2.515 1.00 24.97 H new ATOM 0 HB3 GLU A1008 1.262 -18.011 2.127 1.00 24.97 H new ATOM 0 HG2 GLU A1008 -0.585 -18.751 0.747 1.00 20.19 H new ATOM 0 HG3 GLU A1008 -1.558 -17.379 1.239 1.00 20.19 H new ATOM 1650 N VAL B1009 31.379 -1.850 2.565 1.00 55.78 N ATOM 1651 CA VAL B1009 29.834 -2.009 2.466 1.00 47.95 C ATOM 1652 C VAL B1009 29.323 -2.788 1.245 1.00 38.32 C ATOM 1653 O VAL B1009 29.553 -2.483 0.053 1.00 41.50 O ATOM 1654 CB VAL B1009 29.083 -0.731 2.633 1.00 47.66 C ATOM 1655 CG1 VAL B1009 27.675 -0.523 2.097 1.00 35.15 C ATOM 1656 CG2 VAL B1009 29.052 -0.353 4.151 1.00 73.77 C ATOM 0 HA VAL B1009 29.616 -2.638 3.329 1.00 47.95 H new ATOM 0 HB VAL B1009 29.667 -0.099 1.965 1.00 47.66 H new ATOM 0 HG11 VAL B1009 27.338 0.485 2.341 1.00 35.15 H new ATOM 0 HG12 VAL B1009 27.675 -0.654 1.015 1.00 35.15 H new ATOM 0 HG13 VAL B1009 27.002 -1.250 2.551 1.00 35.15 H new ATOM 0 HG21 VAL B1009 28.505 0.580 4.282 1.00 73.77 H new ATOM 0 HG22 VAL B1009 28.558 -1.145 4.713 1.00 73.77 H new ATOM 0 HG23 VAL B1009 30.072 -0.230 4.516 1.00 73.77 H new ATOM 1667 N ALA B1010 28.779 -3.902 1.569 1.00 32.34 N ATOM 1668 CA ALA B1010 28.329 -4.951 0.611 1.00 35.30 C ATOM 1669 C ALA B1010 26.781 -5.045 0.912 1.00 32.41 C ATOM 1670 O ALA B1010 26.398 -5.328 2.039 1.00 27.72 O ATOM 1671 CB ALA B1010 28.958 -6.280 0.869 1.00 32.01 C ATOM 0 H ALA B1010 28.609 -4.159 2.541 1.00 32.34 H new ATOM 0 HA ALA B1010 28.591 -4.700 -0.417 1.00 35.30 H new ATOM 0 HB1 ALA B1010 28.592 -7.003 0.140 1.00 32.01 H new ATOM 0 HB2 ALA B1010 30.041 -6.193 0.782 1.00 32.01 H new ATOM 0 HB3 ALA B1010 28.701 -6.615 1.874 1.00 32.01 H new ATOM 1677 N ILE B1011 25.977 -4.626 -0.110 1.00 29.15 N ATOM 1678 CA ILE B1011 24.560 -4.895 0.221 1.00 28.07 C ATOM 1679 C ILE B1011 23.749 -5.104 -1.077 1.00 24.12 C ATOM 1680 O ILE B1011 24.237 -4.538 -2.087 1.00 28.44 O ATOM 1681 CB ILE B1011 23.949 -3.710 0.992 1.00 34.10 C ATOM 1682 CG1 ILE B1011 22.522 -3.957 1.434 1.00 37.23 C ATOM 1683 CG2 ILE B1011 24.070 -2.450 0.112 1.00 37.64 C ATOM 1684 CD1 ILE B1011 22.058 -2.743 2.317 1.00 39.45 C ATOM 0 H ILE B1011 26.220 -4.187 -0.998 1.00 29.15 H new ATOM 0 HA ILE B1011 24.521 -5.791 0.840 1.00 28.07 H new ATOM 0 HB ILE B1011 24.505 -3.573 1.920 1.00 34.10 H new ATOM 0 HG12 ILE B1011 21.870 -4.066 0.567 1.00 37.23 H new ATOM 0 HG13 ILE B1011 22.456 -4.885 2.001 1.00 37.23 H new ATOM 0 HG21 ILE B1011 23.643 -1.596 0.638 1.00 37.64 H new ATOM 0 HG22 ILE B1011 25.121 -2.256 -0.102 1.00 37.64 H new ATOM 0 HG23 ILE B1011 23.532 -2.606 -0.823 1.00 37.64 H new ATOM 0 HD11 ILE B1011 21.031 -2.903 2.645 1.00 39.45 H new ATOM 0 HD12 ILE B1011 22.708 -2.657 3.188 1.00 39.45 H new ATOM 0 HD13 ILE B1011 22.113 -1.825 1.731 1.00 39.45 H new ATOM 1696 N LEU B1012 22.805 -6.045 -1.068 1.00 26.46 N ATOM 1697 CA LEU B1012 22.187 -6.314 -2.371 1.00 29.84 C ATOM 1698 C LEU B1012 21.236 -5.149 -2.718 1.00 32.46 C ATOM 1699 O LEU B1012 20.603 -4.611 -1.775 1.00 27.89 O ATOM 1700 CB LEU B1012 21.315 -7.579 -2.130 1.00 27.16 C ATOM 1701 CG LEU B1012 22.135 -8.929 -1.952 1.00 37.34 C ATOM 1702 CD1 LEU B1012 21.057 -10.062 -1.917 1.00 43.73 C ATOM 1703 CD2 LEU B1012 22.980 -8.993 -3.186 1.00 33.05 C ATOM 0 H LEU B1012 22.475 -6.585 -0.268 1.00 26.46 H new ATOM 0 HA LEU B1012 22.922 -6.435 -3.167 1.00 29.84 H new ATOM 0 HB2 LEU B1012 20.707 -7.420 -1.240 1.00 27.16 H new ATOM 0 HB3 LEU B1012 20.628 -7.695 -2.969 1.00 27.16 H new ATOM 0 HG LEU B1012 22.759 -9.009 -1.062 1.00 37.34 H new ATOM 0 HD11 LEU B1012 21.548 -11.028 -1.796 1.00 43.73 H new ATOM 0 HD12 LEU B1012 20.378 -9.893 -1.081 1.00 43.73 H new ATOM 0 HD13 LEU B1012 20.493 -10.056 -2.850 1.00 43.73 H new ATOM 0 HD21 LEU B1012 23.590 -9.896 -3.163 1.00 33.05 H new ATOM 0 HD22 LEU B1012 22.338 -9.012 -4.066 1.00 33.05 H new ATOM 0 HD23 LEU B1012 23.628 -8.118 -3.229 1.00 33.05 H new ATOM 1715 N TRP B1013 21.020 -4.934 -4.033 1.00 30.48 N ATOM 1716 CA TRP B1013 20.188 -3.798 -4.411 1.00 28.61 C ATOM 1717 C TRP B1013 18.740 -4.064 -3.921 1.00 31.55 C ATOM 1718 O TRP B1013 18.096 -3.067 -3.566 1.00 28.32 O ATOM 1719 CB TRP B1013 20.258 -3.643 -5.893 1.00 25.52 C ATOM 1720 CG TRP B1013 21.403 -2.831 -6.413 1.00 24.89 C ATOM 1721 CD1 TRP B1013 22.486 -2.348 -5.723 1.00 29.93 C ATOM 1722 CD2 TRP B1013 21.516 -2.411 -7.771 1.00 30.62 C ATOM 1723 NE1 TRP B1013 23.251 -1.650 -6.603 1.00 28.47 N ATOM 1724 CE2 TRP B1013 22.726 -1.650 -7.857 1.00 28.20 C ATOM 1725 CE3 TRP B1013 20.751 -2.562 -8.915 1.00 27.92 C ATOM 1726 CZ2 TRP B1013 23.107 -1.097 -9.054 1.00 26.49 C ATOM 1727 CZ3 TRP B1013 21.067 -1.960 -10.137 1.00 32.63 C ATOM 1728 CH2 TRP B1013 22.286 -1.251 -10.122 1.00 34.48 C ATOM 0 H TRP B1013 21.388 -5.498 -4.799 1.00 30.48 H new ATOM 0 HA TRP B1013 20.533 -2.871 -3.953 1.00 28.61 H new ATOM 0 HB2 TRP B1013 20.309 -4.636 -6.341 1.00 25.52 H new ATOM 0 HB3 TRP B1013 19.329 -3.186 -6.235 1.00 25.52 H new ATOM 0 HD1 TRP B1013 22.693 -2.495 -4.673 1.00 29.93 H new ATOM 0 HE1 TRP B1013 24.120 -1.180 -6.351 1.00 28.47 H new ATOM 0 HE3 TRP B1013 19.864 -3.176 -8.861 1.00 27.92 H new ATOM 0 HZ2 TRP B1013 24.036 -0.554 -9.143 1.00 26.49 H new ATOM 0 HZ3 TRP B1013 20.436 -2.031 -11.011 1.00 32.63 H new ATOM 0 HH2 TRP B1013 22.594 -0.788 -11.047 1.00 34.48 H new ATOM 1739 N HIS B1014 18.243 -5.247 -3.809 1.00 31.17 N ATOM 1740 CA HIS B1014 16.988 -5.685 -3.264 1.00 37.99 C ATOM 1741 C HIS B1014 16.834 -5.124 -1.827 1.00 39.12 C ATOM 1742 O HIS B1014 15.858 -4.460 -1.428 1.00 30.45 O ATOM 1743 CB HIS B1014 16.835 -7.254 -3.375 1.00 47.52 C ATOM 1744 CG HIS B1014 17.397 -7.851 -4.676 1.00 53.71 C ATOM 1745 ND1 HIS B1014 18.764 -7.867 -5.152 1.00 38.38 N ATOM 1746 CD2 HIS B1014 16.674 -8.499 -5.630 1.00 45.77 C ATOM 1747 CE1 HIS B1014 18.773 -8.415 -6.352 1.00 41.51 C ATOM 1748 NE2 HIS B1014 17.537 -8.833 -6.676 1.00 50.21 N ATOM 0 H HIS B1014 18.779 -6.048 -4.143 1.00 31.17 H new ATOM 0 HA HIS B1014 16.159 -5.286 -3.848 1.00 37.99 H new ATOM 0 HB2 HIS B1014 17.340 -7.718 -2.528 1.00 47.52 H new ATOM 0 HB3 HIS B1014 15.779 -7.511 -3.297 1.00 47.52 H new ATOM 0 HD2 HIS B1014 15.617 -8.717 -5.586 1.00 45.77 H new ATOM 0 HE1 HIS B1014 19.645 -8.513 -6.982 1.00 41.51 H new ATOM 0 HE2 HIS B1014 17.275 -9.312 -7.538 1.00 50.21 H new ATOM 1756 N GLU B1015 17.936 -5.277 -1.016 1.00 29.95 N ATOM 1757 CA GLU B1015 17.893 -4.882 0.384 1.00 29.07 C ATOM 1758 C GLU B1015 17.897 -3.362 0.493 1.00 27.70 C ATOM 1759 O GLU B1015 17.320 -2.758 1.415 1.00 29.32 O ATOM 1760 CB GLU B1015 18.998 -5.452 1.312 1.00 33.99 C ATOM 1761 CG GLU B1015 18.823 -6.988 1.182 1.00 58.48 C ATOM 1762 CD GLU B1015 19.752 -7.751 2.099 1.00 63.11 C ATOM 1763 OE1 GLU B1015 20.294 -7.099 3.034 1.00 50.43 O ATOM 1764 OE2 GLU B1015 19.880 -8.942 1.710 1.00 56.68 O ATOM 0 H GLU B1015 18.828 -5.663 -1.324 1.00 29.95 H new ATOM 0 HA GLU B1015 16.967 -5.328 0.748 1.00 29.07 H new ATOM 0 HB2 GLU B1015 19.991 -5.133 0.996 1.00 33.99 H new ATOM 0 HB3 GLU B1015 18.869 -5.119 2.342 1.00 33.99 H new ATOM 0 HG2 GLU B1015 17.791 -7.254 1.410 1.00 58.48 H new ATOM 0 HG3 GLU B1015 19.008 -7.287 0.150 1.00 58.48 H new ATOM 1771 N MET B1016 18.756 -2.792 -0.407 1.00 28.27 N ATOM 1772 CA MET B1016 19.018 -1.275 -0.096 1.00 29.14 C ATOM 1773 C MET B1016 17.670 -0.598 -0.467 1.00 23.44 C ATOM 1774 O MET B1016 17.287 0.393 0.261 1.00 24.65 O ATOM 1775 CB MET B1016 19.942 -0.869 -1.177 1.00 22.59 C ATOM 1776 CG MET B1016 20.463 0.482 -1.414 1.00 37.61 C ATOM 1777 SD MET B1016 21.413 0.346 -2.988 1.00 48.70 S ATOM 1778 CE MET B1016 22.677 -0.746 -2.339 1.00 30.31 C ATOM 0 H MET B1016 19.218 -3.219 -1.210 1.00 28.27 H new ATOM 0 HA MET B1016 19.371 -1.055 0.911 1.00 29.14 H new ATOM 0 HB2 MET B1016 20.820 -1.506 -1.066 1.00 22.59 H new ATOM 0 HB3 MET B1016 19.452 -1.161 -2.106 1.00 22.59 H new ATOM 0 HG2 MET B1016 19.655 1.209 -1.500 1.00 37.61 H new ATOM 0 HG3 MET B1016 21.101 0.810 -0.593 1.00 37.61 H new ATOM 0 HE1 MET B1016 23.610 -0.585 -2.880 1.00 30.31 H new ATOM 0 HE2 MET B1016 22.830 -0.537 -1.280 1.00 30.31 H new ATOM 0 HE3 MET B1016 22.361 -1.782 -2.462 1.00 30.31 H new ATOM 1788 N TRP B1017 17.009 -1.023 -1.593 1.00 22.91 N ATOM 1789 CA TRP B1017 15.701 -0.439 -1.900 1.00 27.38 C ATOM 1790 C TRP B1017 14.584 -0.759 -0.894 1.00 26.92 C ATOM 1791 O TRP B1017 13.764 0.103 -0.665 1.00 21.58 O ATOM 1792 CB TRP B1017 15.349 -0.881 -3.316 1.00 21.56 C ATOM 1793 CG TRP B1017 15.988 -0.033 -4.356 1.00 21.88 C ATOM 1794 CD1 TRP B1017 16.981 -0.382 -5.221 1.00 23.32 C ATOM 1795 CD2 TRP B1017 15.610 1.333 -4.752 1.00 22.16 C ATOM 1796 NE1 TRP B1017 17.321 0.626 -6.096 1.00 25.53 N ATOM 1797 CE2 TRP B1017 16.459 1.681 -5.792 1.00 20.99 C ATOM 1798 CE3 TRP B1017 14.700 2.260 -4.252 1.00 29.05 C ATOM 1799 CZ2 TRP B1017 16.414 2.956 -6.441 1.00 27.37 C ATOM 1800 CZ3 TRP B1017 14.617 3.532 -4.890 1.00 27.36 C ATOM 1801 CH2 TRP B1017 15.514 3.838 -5.923 1.00 25.33 C ATOM 0 H TRP B1017 17.350 -1.723 -2.252 1.00 22.91 H new ATOM 0 HA TRP B1017 15.779 0.645 -1.822 1.00 27.38 H new ATOM 0 HB2 TRP B1017 15.658 -1.917 -3.457 1.00 21.56 H new ATOM 0 HB3 TRP B1017 14.267 -0.852 -3.443 1.00 21.56 H new ATOM 0 HD1 TRP B1017 17.455 -1.353 -5.221 1.00 23.32 H new ATOM 0 HE1 TRP B1017 18.047 0.606 -6.812 1.00 25.53 H new ATOM 0 HE3 TRP B1017 14.074 2.022 -3.404 1.00 29.05 H new ATOM 0 HZ2 TRP B1017 17.048 3.201 -7.281 1.00 27.37 H new ATOM 0 HZ3 TRP B1017 13.872 4.251 -4.581 1.00 27.36 H new ATOM 0 HH2 TRP B1017 15.490 4.836 -6.334 1.00 25.33 H new ATOM 1812 N HIS B1018 14.524 -1.993 -0.310 1.00 22.92 N ATOM 1813 CA HIS B1018 13.415 -2.308 0.572 1.00 27.51 C ATOM 1814 C HIS B1018 13.545 -1.402 1.788 1.00 28.35 C ATOM 1815 O HIS B1018 12.567 -0.684 2.200 1.00 26.69 O ATOM 1816 CB HIS B1018 13.490 -3.790 0.945 1.00 28.26 C ATOM 1817 CG HIS B1018 12.374 -4.222 1.794 1.00 28.54 C ATOM 1818 ND1 HIS B1018 12.379 -3.961 3.162 1.00 35.10 N ATOM 1819 CD2 HIS B1018 11.207 -4.824 1.463 1.00 30.04 C ATOM 1820 CE1 HIS B1018 11.212 -4.441 3.652 1.00 35.04 C ATOM 1821 NE2 HIS B1018 10.526 -4.938 2.667 1.00 29.01 N ATOM 0 H HIS B1018 15.208 -2.738 -0.440 1.00 22.92 H new ATOM 0 HA HIS B1018 12.446 -2.139 0.103 1.00 27.51 H new ATOM 0 HB2 HIS B1018 13.500 -4.389 0.034 1.00 28.26 H new ATOM 0 HB3 HIS B1018 14.430 -3.982 1.463 1.00 28.26 H new ATOM 0 HD2 HIS B1018 10.880 -5.143 0.484 1.00 30.04 H new ATOM 0 HE1 HIS B1018 10.903 -4.415 4.687 1.00 35.04 H new ATOM 0 HE2 HIS B1018 9.602 -5.359 2.766 1.00 29.01 H new ATOM 1829 N GLU B1019 14.769 -1.312 2.342 1.00 25.68 N ATOM 1830 CA GLU B1019 14.972 -0.464 3.474 1.00 28.28 C ATOM 1831 C GLU B1019 14.811 1.006 3.180 1.00 26.75 C ATOM 1832 O GLU B1019 14.251 1.788 4.021 1.00 27.93 O ATOM 1833 CB GLU B1019 16.513 -0.681 3.805 1.00 28.52 C ATOM 1834 CG GLU B1019 16.933 -0.645 5.225 1.00 51.89 C ATOM 1835 CD GLU B1019 18.424 -1.089 5.097 1.00 61.75 C ATOM 1836 OE1 GLU B1019 18.635 -2.321 4.937 1.00 60.11 O ATOM 1837 OE2 GLU B1019 19.173 -0.073 5.073 1.00 46.25 O ATOM 0 H GLU B1019 15.596 -1.812 2.016 1.00 25.68 H new ATOM 0 HA GLU B1019 14.251 -0.709 4.254 1.00 28.28 H new ATOM 0 HB2 GLU B1019 16.810 -1.646 3.394 1.00 28.52 H new ATOM 0 HB3 GLU B1019 17.080 0.081 3.270 1.00 28.52 H new ATOM 0 HG2 GLU B1019 16.833 0.349 5.661 1.00 51.89 H new ATOM 0 HG3 GLU B1019 16.351 -1.325 5.846 1.00 51.89 H new ATOM 1844 N GLY B1020 15.326 1.480 2.039 1.00 22.29 N ATOM 1845 CA GLY B1020 15.267 2.860 1.649 1.00 29.17 C ATOM 1846 C GLY B1020 13.801 3.353 1.406 1.00 25.38 C ATOM 1847 O GLY B1020 13.493 4.366 1.928 1.00 25.64 O ATOM 0 H GLY B1020 15.802 0.887 1.359 1.00 22.29 H new ATOM 0 HA2 GLY B1020 15.729 3.473 2.423 1.00 29.17 H new ATOM 0 HA3 GLY B1020 15.850 3.002 0.739 1.00 29.17 H new ATOM 1851 N LEU B1021 12.963 2.547 0.699 1.00 21.57 N ATOM 1852 CA LEU B1021 11.549 2.899 0.424 1.00 25.27 C ATOM 1853 C LEU B1021 10.804 2.969 1.737 1.00 22.07 C ATOM 1854 O LEU B1021 10.008 3.956 1.944 1.00 23.49 O ATOM 1855 CB LEU B1021 10.966 1.855 -0.601 1.00 20.24 C ATOM 1856 CG LEU B1021 11.577 1.980 -2.008 1.00 20.64 C ATOM 1857 CD1 LEU B1021 10.952 0.899 -2.946 1.00 21.71 C ATOM 1858 CD2 LEU B1021 11.462 3.472 -2.606 1.00 24.29 C ATOM 0 H LEU B1021 13.247 1.648 0.310 1.00 21.57 H new ATOM 0 HA LEU B1021 11.445 3.880 -0.040 1.00 25.27 H new ATOM 0 HB2 LEU B1021 11.142 0.848 -0.224 1.00 20.24 H new ATOM 0 HB3 LEU B1021 9.886 1.986 -0.668 1.00 20.24 H new ATOM 0 HG LEU B1021 12.648 1.792 -1.937 1.00 20.64 H new ATOM 0 HD11 LEU B1021 11.385 0.988 -3.942 1.00 21.71 H new ATOM 0 HD12 LEU B1021 11.161 -0.094 -2.547 1.00 21.71 H new ATOM 0 HD13 LEU B1021 9.874 1.047 -3.004 1.00 21.71 H new ATOM 0 HD21 LEU B1021 11.909 3.501 -3.600 1.00 24.29 H new ATOM 0 HD22 LEU B1021 10.412 3.758 -2.672 1.00 24.29 H new ATOM 0 HD23 LEU B1021 11.987 4.168 -1.952 1.00 24.29 H new ATOM 1870 N GLU B1022 10.970 2.067 2.649 1.00 21.84 N ATOM 1871 CA GLU B1022 10.370 1.984 3.941 1.00 28.54 C ATOM 1872 C GLU B1022 10.685 3.247 4.721 1.00 32.36 C ATOM 1873 O GLU B1022 9.720 3.923 5.145 1.00 32.09 O ATOM 1874 CB GLU B1022 10.629 0.693 4.684 1.00 30.50 C ATOM 1875 CG GLU B1022 9.824 0.618 6.004 1.00 37.12 C ATOM 1876 CD GLU B1022 9.727 -0.775 6.545 1.00 42.82 C ATOM 1877 OE1 GLU B1022 10.712 -1.505 6.547 1.00 49.28 O ATOM 1878 OE2 GLU B1022 8.669 -1.170 7.060 1.00 45.55 O ATOM 0 H GLU B1022 11.601 1.282 2.487 1.00 21.84 H new ATOM 0 HA GLU B1022 9.290 1.935 3.806 1.00 28.54 H new ATOM 0 HB2 GLU B1022 10.364 -0.152 4.048 1.00 30.50 H new ATOM 0 HB3 GLU B1022 11.693 0.606 4.902 1.00 30.50 H new ATOM 0 HG2 GLU B1022 10.295 1.260 6.748 1.00 37.12 H new ATOM 0 HG3 GLU B1022 8.820 1.008 5.835 1.00 37.12 H new ATOM 1885 N GLU B1023 11.992 3.663 4.717 1.00 25.11 N ATOM 1886 CA GLU B1023 12.423 4.784 5.474 1.00 33.65 C ATOM 1887 C GLU B1023 11.895 6.119 4.825 1.00 29.68 C ATOM 1888 O GLU B1023 11.349 6.927 5.503 1.00 24.46 O ATOM 1889 CB GLU B1023 13.983 4.822 5.526 1.00 30.85 C ATOM 1890 CG GLU B1023 14.411 6.051 6.355 1.00 49.55 C ATOM 1891 CD GLU B1023 13.774 6.231 7.732 1.00 58.72 C ATOM 1892 OE1 GLU B1023 13.188 5.380 8.441 1.00 55.47 O ATOM 1893 OE2 GLU B1023 13.833 7.370 8.246 1.00 58.21 O ATOM 0 H GLU B1023 12.732 3.208 4.182 1.00 25.11 H new ATOM 0 HA GLU B1023 12.024 4.693 6.484 1.00 33.65 H new ATOM 0 HB2 GLU B1023 14.370 3.908 5.975 1.00 30.85 H new ATOM 0 HB3 GLU B1023 14.395 4.881 4.519 1.00 30.85 H new ATOM 0 HG2 GLU B1023 15.492 6.007 6.488 1.00 49.55 H new ATOM 0 HG3 GLU B1023 14.198 6.944 5.767 1.00 49.55 H new ATOM 1900 N ALA B1024 11.970 6.218 3.523 1.00 22.54 N ATOM 1901 CA ALA B1024 11.554 7.405 2.801 1.00 21.36 C ATOM 1902 C ALA B1024 10.002 7.558 2.984 1.00 26.56 C ATOM 1903 O ALA B1024 9.571 8.677 3.092 1.00 25.95 O ATOM 1904 CB ALA B1024 11.838 7.330 1.342 1.00 18.38 C ATOM 0 H ALA B1024 12.324 5.473 2.923 1.00 22.54 H new ATOM 0 HA ALA B1024 12.114 8.250 3.202 1.00 21.36 H new ATOM 0 HB1 ALA B1024 11.503 8.248 0.859 1.00 18.38 H new ATOM 0 HB2 ALA B1024 12.910 7.207 1.186 1.00 18.38 H new ATOM 0 HB3 ALA B1024 11.309 6.480 0.912 1.00 18.38 H new ATOM 1910 N SER B1025 9.271 6.456 2.828 1.00 25.32 N ATOM 1911 CA SER B1025 7.812 6.566 3.129 1.00 24.39 C ATOM 1912 C SER B1025 7.478 6.970 4.528 1.00 29.24 C ATOM 1913 O SER B1025 6.479 7.701 4.736 1.00 29.49 O ATOM 1914 CB SER B1025 7.130 5.211 2.663 1.00 23.79 C ATOM 1915 OG SER B1025 7.182 4.332 3.759 1.00 28.57 O ATOM 0 H SER B1025 9.609 5.543 2.523 1.00 25.32 H new ATOM 0 HA SER B1025 7.400 7.404 2.566 1.00 24.39 H new ATOM 0 HB2 SER B1025 6.099 5.383 2.354 1.00 23.79 H new ATOM 0 HB3 SER B1025 7.654 4.790 1.805 1.00 23.79 H new ATOM 0 HG SER B1025 8.096 4.302 4.112 1.00 28.57 H new ATOM 1921 N ARG B1026 8.309 6.482 5.540 1.00 24.86 N ATOM 1922 CA ARG B1026 8.058 6.984 6.914 1.00 27.68 C ATOM 1923 C ARG B1026 8.266 8.437 7.087 1.00 32.33 C ATOM 1924 O ARG B1026 7.401 9.182 7.700 1.00 32.10 O ATOM 1925 CB ARG B1026 8.961 6.178 7.870 1.00 28.55 C ATOM 1926 CG ARG B1026 8.570 6.273 9.326 1.00 49.24 C ATOM 1927 CD ARG B1026 9.825 6.177 10.244 1.00 58.27 C ATOM 1928 NE ARG B1026 10.428 7.506 10.158 1.00 73.84 N ATOM 1929 CZ ARG B1026 11.643 7.893 10.463 1.00 82.46 C ATOM 1930 NH1 ARG B1026 12.550 7.063 10.939 1.00 86.67 N ATOM 1931 NH2 ARG B1026 11.917 9.173 10.266 1.00 79.93 N ATOM 0 H ARG B1026 9.072 5.814 5.428 1.00 24.86 H new ATOM 0 HA ARG B1026 7.001 6.840 7.137 1.00 27.68 H new ATOM 0 HB2 ARG B1026 8.944 5.130 7.569 1.00 28.55 H new ATOM 0 HB3 ARG B1026 9.988 6.525 7.759 1.00 28.55 H new ATOM 0 HG2 ARG B1026 8.053 7.215 9.507 1.00 49.24 H new ATOM 0 HG3 ARG B1026 7.872 5.473 9.572 1.00 49.24 H new ATOM 0 HD2 ARG B1026 9.551 5.928 11.269 1.00 58.27 H new ATOM 0 HD3 ARG B1026 10.512 5.404 9.901 1.00 58.27 H new ATOM 0 HE ARG B1026 9.813 8.241 9.809 1.00 73.84 H new ATOM 0 HH11 ARG B1026 12.317 6.080 11.082 1.00 86.67 H new ATOM 0 HH12 ARG B1026 13.485 7.404 11.164 1.00 86.67 H new ATOM 0 HH21 ARG B1026 11.200 9.797 9.896 1.00 79.93 H new ATOM 0 HH22 ARG B1026 12.845 9.535 10.484 1.00 79.93 H new ATOM 1944 N LEU B1027 9.350 9.011 6.537 1.00 27.73 N ATOM 1945 CA LEU B1027 9.583 10.427 6.579 1.00 28.96 C ATOM 1946 C LEU B1027 8.520 11.253 5.909 1.00 32.60 C ATOM 1947 O LEU B1027 8.081 12.222 6.514 1.00 29.09 O ATOM 1948 CB LEU B1027 10.989 10.674 5.805 1.00 23.76 C ATOM 1949 CG LEU B1027 12.217 10.108 6.600 1.00 33.63 C ATOM 1950 CD1 LEU B1027 13.555 10.160 5.676 1.00 37.87 C ATOM 1951 CD2 LEU B1027 12.423 10.926 7.854 1.00 30.72 C ATOM 0 H LEU B1027 10.079 8.486 6.054 1.00 27.73 H new ATOM 0 HA LEU B1027 9.587 10.740 7.623 1.00 28.96 H new ATOM 0 HB2 LEU B1027 10.947 10.203 4.823 1.00 23.76 H new ATOM 0 HB3 LEU B1027 11.127 11.743 5.641 1.00 23.76 H new ATOM 0 HG LEU B1027 12.022 9.071 6.872 1.00 33.63 H new ATOM 0 HD11 LEU B1027 14.401 9.765 6.238 1.00 37.87 H new ATOM 0 HD12 LEU B1027 13.402 9.559 4.780 1.00 37.87 H new ATOM 0 HD13 LEU B1027 13.760 11.192 5.390 1.00 37.87 H new ATOM 0 HD21 LEU B1027 13.276 10.534 8.408 1.00 30.72 H new ATOM 0 HD22 LEU B1027 12.612 11.965 7.584 1.00 30.72 H new ATOM 0 HD23 LEU B1027 11.530 10.870 8.476 1.00 30.72 H new ATOM 1963 N TYR B1028 8.018 10.767 4.735 1.00 25.73 N ATOM 1964 CA TYR B1028 7.096 11.528 3.944 1.00 27.53 C ATOM 1965 C TYR B1028 5.650 11.331 4.586 1.00 30.66 C ATOM 1966 O TYR B1028 5.123 12.300 5.017 1.00 30.46 O ATOM 1967 CB TYR B1028 7.030 11.104 2.481 1.00 24.78 C ATOM 1968 CG TYR B1028 5.968 11.835 1.645 1.00 21.88 C ATOM 1969 CD1 TYR B1028 5.860 13.221 1.639 1.00 31.57 C ATOM 1970 CD2 TYR B1028 5.007 11.125 0.996 1.00 30.90 C ATOM 1971 CE1 TYR B1028 4.860 13.854 0.880 1.00 36.71 C ATOM 1972 CE2 TYR B1028 4.014 11.740 0.210 1.00 33.73 C ATOM 1973 CZ TYR B1028 3.980 13.094 0.182 1.00 39.32 C ATOM 1974 OH TYR B1028 2.957 13.653 -0.582 1.00 34.18 O ATOM 0 H TYR B1028 8.255 9.854 4.347 1.00 25.73 H new ATOM 0 HA TYR B1028 7.437 12.563 3.950 1.00 27.53 H new ATOM 0 HB2 TYR B1028 8.007 11.268 2.026 1.00 24.78 H new ATOM 0 HB3 TYR B1028 6.833 10.033 2.436 1.00 24.78 H new ATOM 0 HD1 TYR B1028 6.549 13.815 2.221 1.00 31.57 H new ATOM 0 HD2 TYR B1028 5.005 10.049 1.087 1.00 30.90 H new ATOM 0 HE1 TYR B1028 4.794 14.932 0.853 1.00 36.71 H new ATOM 0 HE2 TYR B1028 3.303 11.152 -0.352 1.00 33.73 H new ATOM 0 HH TYR B1028 2.437 12.938 -1.005 1.00 34.18 H new ATOM 1984 N PHE B1029 5.148 10.137 4.623 1.00 26.10 N ATOM 1985 CA PHE B1029 3.732 9.927 5.104 1.00 31.74 C ATOM 1986 C PHE B1029 3.514 10.065 6.587 1.00 33.66 C ATOM 1987 O PHE B1029 2.511 10.651 7.002 1.00 37.26 O ATOM 1988 CB PHE B1029 3.250 8.526 4.657 1.00 22.79 C ATOM 1989 CG PHE B1029 3.109 8.461 3.144 1.00 27.97 C ATOM 1990 CD1 PHE B1029 2.146 9.111 2.475 1.00 25.80 C ATOM 1991 CD2 PHE B1029 4.015 7.687 2.420 1.00 32.81 C ATOM 1992 CE1 PHE B1029 2.065 9.010 1.145 1.00 27.65 C ATOM 1993 CE2 PHE B1029 3.884 7.525 1.033 1.00 22.41 C ATOM 1994 CZ PHE B1029 2.988 8.278 0.319 1.00 26.90 C ATOM 0 H PHE B1029 5.642 9.289 4.345 1.00 26.10 H new ATOM 0 HA PHE B1029 3.156 10.734 4.652 1.00 31.74 H new ATOM 0 HB2 PHE B1029 3.958 7.768 4.994 1.00 22.79 H new ATOM 0 HB3 PHE B1029 2.293 8.299 5.126 1.00 22.79 H new ATOM 0 HD1 PHE B1029 1.433 9.718 3.013 1.00 25.80 H new ATOM 0 HD2 PHE B1029 4.832 7.204 2.936 1.00 32.81 H new ATOM 0 HE1 PHE B1029 1.246 9.515 0.654 1.00 27.65 H new ATOM 0 HE2 PHE B1029 4.497 6.798 0.521 1.00 22.41 H new ATOM 0 HZ PHE B1029 2.976 8.318 -0.760 1.00 26.90 H new ATOM 2004 N GLY B1030 4.461 9.600 7.407 1.00 28.53 N ATOM 2005 CA GLY B1030 4.425 9.622 8.816 1.00 40.11 C ATOM 2006 C GLY B1030 4.853 11.014 9.310 1.00 50.14 C ATOM 2007 O GLY B1030 4.152 11.609 10.113 1.00 40.04 O ATOM 0 H GLY B1030 5.317 9.176 7.049 1.00 28.53 H new ATOM 0 HA2 GLY B1030 3.420 9.390 9.170 1.00 40.11 H new ATOM 0 HA3 GLY B1030 5.090 8.859 9.221 1.00 40.11 H new ATOM 2011 N GLU B1031 6.019 11.491 8.852 1.00 44.72 N ATOM 2012 CA GLU B1031 6.534 12.759 9.373 1.00 34.76 C ATOM 2013 C GLU B1031 6.219 14.038 8.630 1.00 37.33 C ATOM 2014 O GLU B1031 6.658 15.134 9.030 1.00 38.14 O ATOM 2015 CB GLU B1031 8.056 12.538 9.651 1.00 36.33 C ATOM 2016 CG GLU B1031 8.147 11.447 10.731 1.00 48.23 C ATOM 2017 CD GLU B1031 9.486 10.835 11.018 1.00 75.08 C ATOM 2018 OE1 GLU B1031 10.591 11.415 10.920 1.00 70.65 O ATOM 2019 OE2 GLU B1031 9.437 9.626 11.376 1.00 83.84 O ATOM 0 H GLU B1031 6.602 11.037 8.149 1.00 44.72 H new ATOM 0 HA GLU B1031 5.972 12.978 10.281 1.00 34.76 H new ATOM 0 HB2 GLU B1031 8.576 12.230 8.744 1.00 36.33 H new ATOM 0 HB3 GLU B1031 8.527 13.461 9.991 1.00 36.33 H new ATOM 0 HG2 GLU B1031 7.769 11.870 11.662 1.00 48.23 H new ATOM 0 HG3 GLU B1031 7.468 10.642 10.448 1.00 48.23 H new ATOM 2026 N ARG B1032 5.594 13.927 7.451 1.00 27.42 N ATOM 2027 CA ARG B1032 5.384 15.025 6.545 1.00 37.52 C ATOM 2028 C ARG B1032 6.746 15.695 6.187 1.00 44.40 C ATOM 2029 O ARG B1032 6.751 16.923 5.987 1.00 36.05 O ATOM 2030 CB ARG B1032 4.478 16.070 7.186 1.00 40.27 C ATOM 2031 CG ARG B1032 2.964 15.778 6.903 1.00 44.53 C ATOM 2032 CD ARG B1032 2.560 14.527 7.653 1.00 46.61 C ATOM 2033 NE ARG B1032 1.082 14.487 7.603 1.00 54.12 N ATOM 2034 CZ ARG B1032 0.313 13.749 8.372 1.00 55.11 C ATOM 2035 NH1 ARG B1032 0.935 12.964 9.254 1.00 44.28 N ATOM 2036 NH2 ARG B1032 -1.039 13.838 8.252 1.00 49.75 N ATOM 0 H ARG B1032 5.218 13.043 7.108 1.00 27.42 H new ATOM 0 HA ARG B1032 4.916 14.637 5.641 1.00 37.52 H new ATOM 0 HB2 ARG B1032 4.650 16.089 8.262 1.00 40.27 H new ATOM 0 HB3 ARG B1032 4.735 17.058 6.804 1.00 40.27 H new ATOM 0 HG2 ARG B1032 2.351 16.622 7.219 1.00 44.53 H new ATOM 0 HG3 ARG B1032 2.798 15.647 5.834 1.00 44.53 H new ATOM 0 HD2 ARG B1032 2.991 13.638 7.192 1.00 46.61 H new ATOM 0 HD3 ARG B1032 2.916 14.556 8.683 1.00 46.61 H new ATOM 0 HE ARG B1032 0.621 15.082 6.914 1.00 54.12 H new ATOM 0 HH11 ARG B1032 1.954 12.960 9.304 1.00 44.28 H new ATOM 0 HH12 ARG B1032 0.392 12.368 9.878 1.00 44.28 H new ATOM 0 HH21 ARG B1032 -1.450 14.474 7.569 1.00 49.75 H new ATOM 0 HH22 ARG B1032 -1.642 13.268 8.845 1.00 49.75 H new ATOM 2049 N ASN B1033 7.829 14.911 6.131 1.00 32.98 N ATOM 2050 CA ASN B1033 9.108 15.507 5.806 1.00 30.01 C ATOM 2051 C ASN B1033 9.559 15.151 4.391 1.00 28.30 C ATOM 2052 O ASN B1033 10.171 14.100 4.219 1.00 28.58 O ATOM 2053 CB ASN B1033 10.111 14.979 6.860 1.00 34.24 C ATOM 2054 CG ASN B1033 11.502 15.510 6.684 1.00 28.67 C ATOM 2055 OD1 ASN B1033 11.812 16.320 5.825 1.00 30.31 O ATOM 2056 ND2 ASN B1033 12.428 15.058 7.491 1.00 32.53 N ATOM 0 H ASN B1033 7.839 13.905 6.300 1.00 32.98 H new ATOM 0 HA ASN B1033 9.042 16.595 5.829 1.00 30.01 H new ATOM 0 HB2 ASN B1033 9.753 15.244 7.855 1.00 34.24 H new ATOM 0 HB3 ASN B1033 10.138 13.890 6.811 1.00 34.24 H new ATOM 0 HD21 ASN B1033 13.390 15.383 7.396 1.00 32.53 H new ATOM 0 HD22 ASN B1033 12.187 14.381 8.215 1.00 32.53 H new ATOM 2063 N VAL B1034 9.261 15.978 3.380 1.00 21.42 N ATOM 2064 CA VAL B1034 9.529 15.744 2.005 1.00 29.25 C ATOM 2065 C VAL B1034 11.048 15.905 1.806 1.00 31.35 C ATOM 2066 O VAL B1034 11.692 15.120 1.096 1.00 26.94 O ATOM 2067 CB VAL B1034 8.749 16.672 1.064 1.00 28.30 C ATOM 2068 CG1 VAL B1034 9.158 16.350 -0.381 1.00 28.68 C ATOM 2069 CG2 VAL B1034 7.214 16.513 1.144 1.00 33.92 C ATOM 0 H VAL B1034 8.800 16.874 3.538 1.00 21.42 H new ATOM 0 HA VAL B1034 9.197 14.739 1.745 1.00 29.25 H new ATOM 0 HB VAL B1034 8.992 17.690 1.370 1.00 28.30 H new ATOM 0 HG11 VAL B1034 8.614 17.000 -1.067 1.00 28.68 H new ATOM 0 HG12 VAL B1034 10.229 16.512 -0.501 1.00 28.68 H new ATOM 0 HG13 VAL B1034 8.921 15.309 -0.603 1.00 28.68 H new ATOM 0 HG21 VAL B1034 6.740 17.205 0.448 1.00 33.92 H new ATOM 0 HG22 VAL B1034 6.940 15.491 0.883 1.00 33.92 H new ATOM 0 HG23 VAL B1034 6.878 16.731 2.158 1.00 33.92 H new ATOM 2079 N LYS B1035 11.660 16.939 2.439 1.00 28.97 N ATOM 2080 CA LYS B1035 13.137 17.034 2.263 1.00 29.39 C ATOM 2081 C LYS B1035 13.846 15.739 2.638 1.00 25.02 C ATOM 2082 O LYS B1035 14.738 15.241 1.869 1.00 24.37 O ATOM 2083 CB LYS B1035 13.507 18.238 3.167 1.00 34.34 C ATOM 2084 CG LYS B1035 14.940 18.307 3.518 1.00 57.87 C ATOM 2085 CD LYS B1035 15.347 19.641 4.171 1.00 70.51 C ATOM 2086 CE LYS B1035 16.786 19.474 4.710 1.00 74.08 C ATOM 2087 NZ LYS B1035 16.846 18.312 5.658 1.00 55.94 N ATOM 0 H LYS B1035 11.215 17.651 3.018 1.00 28.97 H new ATOM 0 HA LYS B1035 13.450 17.184 1.230 1.00 29.39 H new ATOM 0 HB2 LYS B1035 13.223 19.160 2.661 1.00 34.34 H new ATOM 0 HB3 LYS B1035 12.921 18.184 4.084 1.00 34.34 H new ATOM 0 HG2 LYS B1035 15.179 17.490 4.199 1.00 57.87 H new ATOM 0 HG3 LYS B1035 15.535 18.156 2.617 1.00 57.87 H new ATOM 0 HD2 LYS B1035 15.301 20.453 3.445 1.00 70.51 H new ATOM 0 HD3 LYS B1035 14.662 19.897 4.979 1.00 70.51 H new ATOM 0 HE2 LYS B1035 17.477 19.315 3.882 1.00 74.08 H new ATOM 0 HE3 LYS B1035 17.101 20.385 5.218 1.00 74.08 H new ATOM 0 HZ1 LYS B1035 17.548 18.506 6.401 1.00 55.94 H new ATOM 0 HZ2 LYS B1035 15.912 18.170 6.093 1.00 55.94 H new ATOM 0 HZ3 LYS B1035 17.120 17.454 5.138 1.00 55.94 H new ATOM 2100 N GLY B1036 13.462 15.102 3.712 1.00 21.73 N ATOM 2101 CA GLY B1036 14.142 13.905 4.287 1.00 26.20 C ATOM 2102 C GLY B1036 13.869 12.709 3.312 1.00 26.89 C ATOM 2103 O GLY B1036 14.653 12.019 2.953 1.00 26.53 O ATOM 0 H GLY B1036 12.644 15.388 4.250 1.00 21.73 H new ATOM 0 HA2 GLY B1036 15.213 14.082 4.389 1.00 26.20 H new ATOM 0 HA3 GLY B1036 13.758 13.685 5.283 1.00 26.20 H new ATOM 2107 N MET B1037 12.603 12.582 2.807 1.00 23.74 N ATOM 2108 CA MET B1037 12.280 11.604 1.771 1.00 31.12 C ATOM 2109 C MET B1037 13.088 11.674 0.530 1.00 27.02 C ATOM 2110 O MET B1037 13.692 10.616 0.126 1.00 30.28 O ATOM 2111 CB MET B1037 10.805 11.882 1.240 1.00 20.92 C ATOM 2112 CG MET B1037 10.391 10.844 0.187 1.00 17.75 C ATOM 2113 SD MET B1037 8.821 11.552 -0.629 1.00 22.16 S ATOM 2114 CE MET B1037 9.661 12.661 -1.723 1.00 28.31 C ATOM 0 H MET B1037 11.811 13.149 3.111 1.00 23.74 H new ATOM 0 HA MET B1037 12.452 10.648 2.266 1.00 31.12 H new ATOM 0 HB2 MET B1037 10.104 11.857 2.074 1.00 20.92 H new ATOM 0 HB3 MET B1037 10.753 12.882 0.809 1.00 20.92 H new ATOM 0 HG2 MET B1037 11.182 10.692 -0.548 1.00 17.75 H new ATOM 0 HG3 MET B1037 10.193 9.876 0.646 1.00 17.75 H new ATOM 0 HE1 MET B1037 9.004 13.495 -1.971 1.00 28.31 H new ATOM 0 HE2 MET B1037 10.560 13.039 -1.237 1.00 28.31 H new ATOM 0 HE3 MET B1037 9.936 12.133 -2.636 1.00 28.31 H new ATOM 2124 N PHE B1038 13.396 12.877 0.019 1.00 23.23 N ATOM 2125 CA PHE B1038 14.334 13.047 -1.132 1.00 23.37 C ATOM 2126 C PHE B1038 15.762 12.644 -0.778 1.00 19.82 C ATOM 2127 O PHE B1038 16.426 12.238 -1.691 1.00 24.89 O ATOM 2128 CB PHE B1038 14.297 14.510 -1.617 1.00 21.04 C ATOM 2129 CG PHE B1038 13.055 14.901 -2.384 1.00 28.24 C ATOM 2130 CD1 PHE B1038 12.394 14.048 -3.246 1.00 36.80 C ATOM 2131 CD2 PHE B1038 12.612 16.237 -2.304 1.00 31.97 C ATOM 2132 CE1 PHE B1038 11.249 14.472 -3.938 1.00 34.35 C ATOM 2133 CE2 PHE B1038 11.486 16.667 -2.971 1.00 30.03 C ATOM 2134 CZ PHE B1038 10.867 15.794 -3.829 1.00 30.98 C ATOM 0 H PHE B1038 13.016 13.754 0.376 1.00 23.23 H new ATOM 0 HA PHE B1038 14.003 12.383 -1.931 1.00 23.37 H new ATOM 0 HB2 PHE B1038 14.392 15.166 -0.751 1.00 21.04 H new ATOM 0 HB3 PHE B1038 15.167 14.689 -2.249 1.00 21.04 H new ATOM 0 HD1 PHE B1038 12.763 13.043 -3.389 1.00 36.80 H new ATOM 0 HD2 PHE B1038 13.170 16.941 -1.705 1.00 31.97 H new ATOM 0 HE1 PHE B1038 10.680 13.780 -4.542 1.00 34.35 H new ATOM 0 HE2 PHE B1038 11.101 17.665 -2.822 1.00 30.03 H new ATOM 0 HZ PHE B1038 10.053 16.153 -4.440 1.00 30.98 H new ATOM 2144 N GLU B1039 16.162 13.141 0.456 1.00 27.28 N ATOM 2145 CA GLU B1039 17.485 12.845 0.836 1.00 24.10 C ATOM 2146 C GLU B1039 17.734 11.310 0.796 1.00 25.72 C ATOM 2147 O GLU B1039 18.856 10.916 0.487 1.00 26.95 O ATOM 2148 CB GLU B1039 17.884 13.289 2.282 1.00 32.60 C ATOM 2149 CG GLU B1039 17.604 14.807 2.399 1.00 41.53 C ATOM 2150 CD GLU B1039 17.888 15.311 3.819 1.00 55.15 C ATOM 2151 OE1 GLU B1039 18.540 14.477 4.550 1.00 47.83 O ATOM 2152 OE2 GLU B1039 17.484 16.490 4.016 1.00 46.42 O ATOM 0 H GLU B1039 15.602 13.692 1.107 1.00 27.28 H new ATOM 0 HA GLU B1039 18.083 13.407 0.119 1.00 24.10 H new ATOM 0 HB2 GLU B1039 17.310 12.735 3.025 1.00 32.60 H new ATOM 0 HB3 GLU B1039 18.937 13.078 2.471 1.00 32.60 H new ATOM 0 HG2 GLU B1039 18.224 15.351 1.686 1.00 41.53 H new ATOM 0 HG3 GLU B1039 16.565 15.010 2.138 1.00 41.53 H new ATOM 2159 N VAL B1040 16.776 10.564 1.260 1.00 28.07 N ATOM 2160 CA VAL B1040 16.864 9.118 1.213 1.00 26.16 C ATOM 2161 C VAL B1040 16.836 8.562 -0.194 1.00 28.85 C ATOM 2162 O VAL B1040 17.640 7.663 -0.439 1.00 25.29 O ATOM 2163 CB VAL B1040 15.757 8.438 2.076 1.00 25.52 C ATOM 2164 CG1 VAL B1040 15.802 6.911 1.830 1.00 28.18 C ATOM 2165 CG2 VAL B1040 15.959 8.734 3.581 1.00 24.86 C ATOM 0 H VAL B1040 15.919 10.925 1.678 1.00 28.07 H new ATOM 0 HA VAL B1040 17.839 8.878 1.638 1.00 26.16 H new ATOM 0 HB VAL B1040 14.786 8.839 1.785 1.00 25.52 H new ATOM 0 HG11 VAL B1040 15.032 6.423 2.428 1.00 28.18 H new ATOM 0 HG12 VAL B1040 15.625 6.707 0.774 1.00 28.18 H new ATOM 0 HG13 VAL B1040 16.781 6.525 2.114 1.00 28.18 H new ATOM 0 HG21 VAL B1040 15.172 8.247 4.156 1.00 24.86 H new ATOM 0 HG22 VAL B1040 16.930 8.354 3.899 1.00 24.86 H new ATOM 0 HG23 VAL B1040 15.918 9.810 3.749 1.00 24.86 H new ATOM 2175 N LEU B1041 15.908 8.958 -1.071 1.00 24.93 N ATOM 2176 CA LEU B1041 15.702 8.367 -2.382 1.00 26.02 C ATOM 2177 C LEU B1041 16.783 8.821 -3.371 1.00 26.82 C ATOM 2178 O LEU B1041 17.113 8.048 -4.279 1.00 26.21 O ATOM 2179 CB LEU B1041 14.308 8.929 -2.937 1.00 24.94 C ATOM 2180 CG LEU B1041 13.029 8.372 -2.231 1.00 26.15 C ATOM 2181 CD1 LEU B1041 11.851 9.219 -2.790 1.00 27.22 C ATOM 2182 CD2 LEU B1041 12.855 6.878 -2.505 1.00 32.61 C ATOM 0 H LEU B1041 15.263 9.723 -0.875 1.00 24.93 H new ATOM 0 HA LEU B1041 15.726 7.281 -2.291 1.00 26.02 H new ATOM 0 HB2 LEU B1041 14.310 10.015 -2.842 1.00 24.94 H new ATOM 0 HB3 LEU B1041 14.242 8.702 -4.001 1.00 24.94 H new ATOM 0 HG LEU B1041 13.088 8.456 -1.146 1.00 26.15 H new ATOM 0 HD11 LEU B1041 10.917 8.885 -2.339 1.00 27.22 H new ATOM 0 HD12 LEU B1041 12.013 10.270 -2.552 1.00 27.22 H new ATOM 0 HD13 LEU B1041 11.796 9.096 -3.872 1.00 27.22 H new ATOM 0 HD21 LEU B1041 11.958 6.518 -2.002 1.00 32.61 H new ATOM 0 HD22 LEU B1041 12.760 6.714 -3.578 1.00 32.61 H new ATOM 0 HD23 LEU B1041 13.723 6.336 -2.131 1.00 32.61 H new ATOM 2194 N GLU B1042 17.411 10.006 -3.226 1.00 25.64 N ATOM 2195 CA GLU B1042 18.344 10.430 -4.330 1.00 31.50 C ATOM 2196 C GLU B1042 19.562 9.530 -4.559 1.00 29.94 C ATOM 2197 O GLU B1042 19.873 9.158 -5.711 1.00 25.01 O ATOM 2198 CB GLU B1042 18.750 11.940 -4.062 1.00 31.32 C ATOM 2199 CG GLU B1042 19.807 12.406 -5.065 1.00 57.17 C ATOM 2200 CD GLU B1042 20.111 13.887 -4.909 1.00 74.98 C ATOM 2201 OE1 GLU B1042 20.344 14.372 -3.777 1.00 73.80 O ATOM 2202 OE2 GLU B1042 20.111 14.575 -5.958 1.00 77.99 O ATOM 0 H GLU B1042 17.316 10.647 -2.438 1.00 25.64 H new ATOM 0 HA GLU B1042 17.804 10.326 -5.271 1.00 31.50 H new ATOM 0 HB2 GLU B1042 17.868 12.576 -4.135 1.00 31.32 H new ATOM 0 HB3 GLU B1042 19.135 12.043 -3.047 1.00 31.32 H new ATOM 0 HG2 GLU B1042 20.721 11.829 -4.925 1.00 57.17 H new ATOM 0 HG3 GLU B1042 19.459 12.210 -6.079 1.00 57.17 H new ATOM 2209 N PRO B1043 20.239 9.006 -3.510 1.00 29.79 N ATOM 2210 CA PRO B1043 21.398 8.155 -3.643 1.00 36.42 C ATOM 2211 C PRO B1043 20.994 6.765 -4.164 1.00 33.29 C ATOM 2212 O PRO B1043 21.742 6.095 -4.823 1.00 30.38 O ATOM 2213 CB PRO B1043 22.037 8.044 -2.268 1.00 34.61 C ATOM 2214 CG PRO B1043 20.966 8.402 -1.295 1.00 37.50 C ATOM 2215 CD PRO B1043 20.031 9.311 -2.088 1.00 31.71 C ATOM 0 HA PRO B1043 22.101 8.577 -4.361 1.00 36.42 H new ATOM 0 HB2 PRO B1043 22.407 7.035 -2.089 1.00 34.61 H new ATOM 0 HB3 PRO B1043 22.890 8.717 -2.177 1.00 34.61 H new ATOM 0 HG2 PRO B1043 20.446 7.516 -0.931 1.00 37.50 H new ATOM 0 HG3 PRO B1043 21.374 8.913 -0.423 1.00 37.50 H new ATOM 0 HD2 PRO B1043 18.993 9.138 -1.804 1.00 31.71 H new ATOM 0 HD3 PRO B1043 20.247 10.360 -1.883 1.00 31.71 H new ATOM 2223 N LEU B1044 19.681 6.378 -3.845 1.00 27.43 N ATOM 2224 CA LEU B1044 19.290 5.088 -4.407 1.00 28.58 C ATOM 2225 C LEU B1044 19.156 5.154 -5.904 1.00 29.19 C ATOM 2226 O LEU B1044 19.674 4.229 -6.637 1.00 28.66 O ATOM 2227 CB LEU B1044 17.961 4.598 -3.768 1.00 26.19 C ATOM 2228 CG LEU B1044 18.154 4.444 -2.235 1.00 31.45 C ATOM 2229 CD1 LEU B1044 16.848 4.226 -1.434 1.00 30.59 C ATOM 2230 CD2 LEU B1044 18.982 3.217 -1.913 1.00 38.03 C ATOM 0 H LEU B1044 18.997 6.884 -3.283 1.00 27.43 H new ATOM 0 HA LEU B1044 20.080 4.374 -4.175 1.00 28.58 H new ATOM 0 HB2 LEU B1044 17.161 5.308 -3.976 1.00 26.19 H new ATOM 0 HB3 LEU B1044 17.663 3.645 -4.206 1.00 26.19 H new ATOM 0 HG LEU B1044 18.621 5.387 -1.950 1.00 31.45 H new ATOM 0 HD11 LEU B1044 17.083 4.129 -0.374 1.00 30.59 H new ATOM 0 HD12 LEU B1044 16.184 5.077 -1.582 1.00 30.59 H new ATOM 0 HD13 LEU B1044 16.356 3.317 -1.781 1.00 30.59 H new ATOM 0 HD21 LEU B1044 19.102 3.132 -0.833 1.00 38.03 H new ATOM 0 HD22 LEU B1044 18.478 2.328 -2.293 1.00 38.03 H new ATOM 0 HD23 LEU B1044 19.962 3.306 -2.381 1.00 38.03 H new ATOM 2242 N HIS B1045 18.464 6.202 -6.380 1.00 23.52 N ATOM 2243 CA HIS B1045 18.407 6.357 -7.806 1.00 23.47 C ATOM 2244 C HIS B1045 19.829 6.546 -8.435 1.00 24.08 C ATOM 2245 O HIS B1045 20.124 6.107 -9.548 1.00 28.46 O ATOM 2246 CB HIS B1045 17.517 7.542 -8.223 1.00 20.28 C ATOM 2247 CG HIS B1045 16.038 7.132 -7.995 1.00 24.83 C ATOM 2248 ND1 HIS B1045 15.350 6.268 -8.832 1.00 20.63 N ATOM 2249 CD2 HIS B1045 15.201 7.624 -7.044 1.00 24.26 C ATOM 2250 CE1 HIS B1045 14.092 6.172 -8.349 1.00 21.91 C ATOM 2251 NE2 HIS B1045 13.976 6.964 -7.269 1.00 22.72 N ATOM 0 H HIS B1045 17.972 6.903 -5.825 1.00 23.52 H new ATOM 0 HA HIS B1045 17.971 5.433 -8.185 1.00 23.47 H new ATOM 0 HB2 HIS B1045 17.762 8.428 -7.637 1.00 20.28 H new ATOM 0 HB3 HIS B1045 17.685 7.796 -9.270 1.00 20.28 H new ATOM 0 HD1 HIS B1045 15.722 5.795 -9.655 1.00 20.63 H new ATOM 0 HD2 HIS B1045 15.425 8.358 -6.284 1.00 24.26 H new ATOM 0 HE1 HIS B1045 13.306 5.558 -8.764 1.00 21.91 H new ATOM 2259 N ALA B1046 20.635 7.263 -7.757 1.00 29.28 N ATOM 2260 CA ALA B1046 22.013 7.556 -8.383 1.00 33.73 C ATOM 2261 C ALA B1046 22.764 6.261 -8.509 1.00 28.26 C ATOM 2262 O ALA B1046 23.534 6.187 -9.491 1.00 30.49 O ATOM 2263 CB ALA B1046 22.776 8.546 -7.557 1.00 31.39 C ATOM 0 H ALA B1046 20.458 7.664 -6.836 1.00 29.28 H new ATOM 0 HA ALA B1046 21.883 7.998 -9.371 1.00 33.73 H new ATOM 0 HB1 ALA B1046 23.745 8.736 -8.019 1.00 31.39 H new ATOM 0 HB2 ALA B1046 22.214 9.478 -7.495 1.00 31.39 H new ATOM 0 HB3 ALA B1046 22.925 8.145 -6.554 1.00 31.39 H new ATOM 2269 N MET B1047 22.624 5.346 -7.561 1.00 26.84 N ATOM 2270 CA MET B1047 23.205 4.005 -7.899 1.00 33.09 C ATOM 2271 C MET B1047 22.609 3.323 -9.069 1.00 37.31 C ATOM 2272 O MET B1047 23.380 2.748 -9.897 1.00 42.38 O ATOM 2273 CB MET B1047 23.228 3.423 -6.528 1.00 42.35 C ATOM 2274 CG MET B1047 23.685 1.948 -6.449 1.00 65.63 C ATOM 2275 SD MET B1047 22.740 1.398 -5.019 1.00 79.24 S ATOM 2276 CE MET B1047 21.147 1.035 -5.801 1.00 83.57 C ATOM 0 H MET B1047 22.175 5.455 -6.651 1.00 26.84 H new ATOM 0 HA MET B1047 24.195 3.951 -8.352 1.00 33.09 H new ATOM 0 HB2 MET B1047 23.889 4.026 -5.905 1.00 42.35 H new ATOM 0 HB3 MET B1047 22.228 3.501 -6.100 1.00 42.35 H new ATOM 0 HG2 MET B1047 23.439 1.387 -7.351 1.00 65.63 H new ATOM 0 HG3 MET B1047 24.760 1.853 -6.298 1.00 65.63 H new ATOM 0 HE1 MET B1047 20.393 1.731 -5.432 1.00 83.57 H new ATOM 0 HE2 MET B1047 21.240 1.141 -6.882 1.00 83.57 H new ATOM 0 HE3 MET B1047 20.848 0.015 -5.561 1.00 83.57 H new ATOM 2286 N MET B1048 21.312 3.254 -9.338 1.00 33.07 N ATOM 2287 CA MET B1048 20.801 2.698 -10.576 1.00 33.61 C ATOM 2288 C MET B1048 21.424 3.438 -11.763 1.00 45.57 C ATOM 2289 O MET B1048 21.782 2.783 -12.725 1.00 37.65 O ATOM 2290 CB MET B1048 19.287 2.682 -10.771 1.00 30.88 C ATOM 2291 CG MET B1048 18.639 2.357 -9.436 1.00 26.56 C ATOM 2292 SD MET B1048 19.004 0.632 -9.009 1.00 30.91 S ATOM 2293 CE MET B1048 18.088 -0.145 -10.341 1.00 30.17 C ATOM 0 H MET B1048 20.587 3.583 -8.701 1.00 33.07 H new ATOM 0 HA MET B1048 21.086 1.648 -10.516 1.00 33.61 H new ATOM 0 HB2 MET B1048 18.941 3.649 -11.136 1.00 30.88 H new ATOM 0 HB3 MET B1048 19.008 1.940 -11.519 1.00 30.88 H new ATOM 0 HG2 MET B1048 19.016 3.025 -8.662 1.00 26.56 H new ATOM 0 HG3 MET B1048 17.561 2.511 -9.493 1.00 26.56 H new ATOM 0 HE1 MET B1048 17.592 -1.041 -9.967 1.00 30.17 H new ATOM 0 HE2 MET B1048 17.341 0.551 -10.723 1.00 30.17 H new ATOM 0 HE3 MET B1048 18.774 -0.418 -11.143 1.00 30.17 H new ATOM 2303 N GLU B1049 21.476 4.778 -11.681 1.00 40.66 N ATOM 2304 CA GLU B1049 22.086 5.528 -12.786 1.00 54.52 C ATOM 2305 C GLU B1049 23.483 5.030 -13.140 1.00 44.61 C ATOM 2306 O GLU B1049 23.886 4.942 -14.328 1.00 44.95 O ATOM 2307 CB GLU B1049 22.127 7.033 -12.476 1.00 59.48 C ATOM 2308 CG GLU B1049 23.178 7.833 -13.228 1.00 66.34 C ATOM 2309 CD GLU B1049 23.401 9.249 -12.737 1.00 74.83 C ATOM 2310 OE1 GLU B1049 22.844 9.732 -11.730 1.00 59.47 O ATOM 2311 OE2 GLU B1049 24.190 9.936 -13.431 1.00 75.24 O ATOM 0 H GLU B1049 21.123 5.338 -10.905 1.00 40.66 H new ATOM 0 HA GLU B1049 21.451 5.357 -13.655 1.00 54.52 H new ATOM 0 HB2 GLU B1049 21.147 7.457 -12.696 1.00 59.48 H new ATOM 0 HB3 GLU B1049 22.296 7.160 -11.407 1.00 59.48 H new ATOM 0 HG2 GLU B1049 24.125 7.296 -13.174 1.00 66.34 H new ATOM 0 HG3 GLU B1049 22.894 7.873 -14.280 1.00 66.34 H new ATOM 2318 N ARG B1050 24.264 4.709 -12.143 1.00 41.00 N ATOM 2319 CA ARG B1050 25.617 4.217 -12.469 1.00 58.65 C ATOM 2320 C ARG B1050 25.554 2.893 -13.217 1.00 58.19 C ATOM 2321 O ARG B1050 26.542 2.619 -13.866 1.00 56.57 O ATOM 2322 CB ARG B1050 26.520 3.980 -11.277 1.00 69.46 C ATOM 2323 CG ARG B1050 26.300 4.733 -10.014 1.00 82.62 C ATOM 2324 CD ARG B1050 27.249 5.850 -9.656 1.00 88.40 C ATOM 2325 NE ARG B1050 26.820 7.151 -10.184 1.00 91.25 N ATOM 2326 CZ ARG B1050 27.079 7.520 -11.443 1.00 82.38 C ATOM 2327 NH1 ARG B1050 27.751 6.649 -12.208 1.00 72.14 N ATOM 2328 NH2 ARG B1050 26.676 8.714 -11.887 1.00 73.14 N ATOM 0 H ARG B1050 24.028 4.766 -11.152 1.00 41.00 H new ATOM 0 HA ARG B1050 26.038 5.023 -13.070 1.00 58.65 H new ATOM 0 HB2 ARG B1050 26.465 2.919 -11.035 1.00 69.46 H new ATOM 0 HB3 ARG B1050 27.542 4.181 -11.600 1.00 69.46 H new ATOM 0 HG2 ARG B1050 25.295 5.154 -10.052 1.00 82.62 H new ATOM 0 HG3 ARG B1050 26.314 4.014 -9.195 1.00 82.62 H new ATOM 0 HD2 ARG B1050 27.336 5.914 -8.571 1.00 88.40 H new ATOM 0 HD3 ARG B1050 28.241 5.616 -10.042 1.00 88.40 H new ATOM 0 HE ARG B1050 26.311 7.791 -9.574 1.00 91.25 H new ATOM 0 HH11 ARG B1050 28.041 5.750 -11.823 1.00 72.14 H new ATOM 0 HH12 ARG B1050 27.972 6.885 -13.175 1.00 72.14 H new ATOM 0 HH21 ARG B1050 26.170 9.345 -11.265 1.00 73.14 H new ATOM 0 HH22 ARG B1050 26.874 8.994 -12.847 1.00 73.14 H new ATOM 2341 N GLY B1051 24.599 2.007 -12.986 1.00 53.21 N ATOM 2342 CA GLY B1051 24.489 0.768 -13.754 1.00 37.28 C ATOM 2343 C GLY B1051 24.799 -0.463 -12.927 1.00 40.40 C ATOM 2344 O GLY B1051 25.538 -0.362 -11.947 1.00 34.42 O ATOM 0 H GLY B1051 23.882 2.120 -12.269 1.00 53.21 H new ATOM 0 HA2 GLY B1051 23.480 0.684 -14.158 1.00 37.28 H new ATOM 0 HA3 GLY B1051 25.170 0.811 -14.604 1.00 37.28 H new ATOM 2348 N PRO B1052 24.255 -1.658 -13.224 1.00 38.93 N ATOM 2349 CA PRO B1052 24.504 -2.836 -12.476 1.00 35.44 C ATOM 2350 C PRO B1052 25.925 -3.348 -12.679 1.00 33.67 C ATOM 2351 O PRO B1052 26.490 -3.234 -13.786 1.00 38.07 O ATOM 2352 CB PRO B1052 23.410 -3.803 -13.106 1.00 33.50 C ATOM 2353 CG PRO B1052 23.177 -3.340 -14.487 1.00 33.70 C ATOM 2354 CD PRO B1052 23.446 -1.874 -14.483 1.00 40.63 C ATOM 0 HA PRO B1052 24.434 -2.720 -11.394 1.00 35.44 H new ATOM 0 HB2 PRO B1052 23.757 -4.836 -13.098 1.00 33.50 H new ATOM 0 HB3 PRO B1052 22.487 -3.772 -12.527 1.00 33.50 H new ATOM 0 HG2 PRO B1052 23.835 -3.855 -15.187 1.00 33.70 H new ATOM 0 HG3 PRO B1052 22.154 -3.548 -14.800 1.00 33.70 H new ATOM 0 HD2 PRO B1052 23.998 -1.566 -15.371 1.00 40.63 H new ATOM 0 HD3 PRO B1052 22.521 -1.298 -14.468 1.00 40.63 H new ATOM 2362 N GLN B1053 26.603 -3.848 -11.699 1.00 34.06 N ATOM 2363 CA GLN B1053 27.921 -4.456 -11.838 1.00 49.45 C ATOM 2364 C GLN B1053 28.031 -5.917 -11.350 1.00 44.74 C ATOM 2365 O GLN B1053 29.027 -6.463 -11.267 1.00 43.81 O ATOM 2366 CB GLN B1053 28.907 -3.734 -10.924 1.00 63.12 C ATOM 2367 CG GLN B1053 28.967 -2.241 -11.060 1.00 76.62 C ATOM 2368 CD GLN B1053 30.253 -1.753 -10.359 1.00 73.24 C ATOM 2369 OE1 GLN B1053 30.571 -2.155 -9.235 1.00 57.39 O ATOM 2370 NE2 GLN B1053 30.780 -0.924 -11.241 1.00 55.29 N ATOM 0 H GLN B1053 26.258 -3.853 -10.739 1.00 34.06 H new ATOM 0 HA GLN B1053 28.119 -4.397 -12.908 1.00 49.45 H new ATOM 0 HB2 GLN B1053 28.655 -3.974 -9.891 1.00 63.12 H new ATOM 0 HB3 GLN B1053 29.903 -4.135 -11.110 1.00 63.12 H new ATOM 0 HG2 GLN B1053 28.973 -1.953 -12.111 1.00 76.62 H new ATOM 0 HG3 GLN B1053 28.088 -1.781 -10.608 1.00 76.62 H new ATOM 0 HE21 GLN B1053 30.306 -0.754 -12.128 1.00 55.29 H new ATOM 0 HE22 GLN B1053 31.661 -0.453 -11.035 1.00 55.29 H new ATOM 2379 N THR B1054 26.895 -6.489 -10.865 1.00 32.28 N ATOM 2380 CA THR B1054 26.837 -7.906 -10.581 1.00 26.85 C ATOM 2381 C THR B1054 25.661 -8.572 -11.297 1.00 29.46 C ATOM 2382 O THR B1054 24.728 -7.911 -11.881 1.00 29.63 O ATOM 2383 CB THR B1054 26.760 -8.359 -9.143 1.00 29.96 C ATOM 2384 OG1 THR B1054 25.411 -7.817 -8.613 1.00 28.42 O ATOM 2385 CG2 THR B1054 27.801 -7.693 -8.176 1.00 36.06 C ATOM 0 H THR B1054 26.032 -5.980 -10.673 1.00 32.28 H new ATOM 0 HA THR B1054 27.818 -8.213 -10.943 1.00 26.85 H new ATOM 0 HB THR B1054 26.918 -9.437 -9.149 1.00 29.96 H new ATOM 0 HG1 THR B1054 25.298 -8.081 -7.676 1.00 28.42 H new ATOM 0 HG21 THR B1054 27.664 -8.085 -7.168 1.00 36.06 H new ATOM 0 HG22 THR B1054 28.811 -7.918 -8.518 1.00 36.06 H new ATOM 0 HG23 THR B1054 27.652 -6.613 -8.169 1.00 36.06 H new ATOM 2393 N LEU B1055 25.697 -9.888 -11.400 1.00 30.80 N ATOM 2394 CA LEU B1055 24.503 -10.600 -12.007 1.00 30.52 C ATOM 2395 C LEU B1055 23.218 -10.249 -11.173 1.00 26.19 C ATOM 2396 O LEU B1055 22.176 -10.038 -11.800 1.00 27.61 O ATOM 2397 CB LEU B1055 24.660 -12.115 -11.951 1.00 29.93 C ATOM 2398 CG LEU B1055 25.806 -12.684 -12.844 1.00 31.93 C ATOM 2399 CD1 LEU B1055 26.082 -14.146 -12.572 1.00 38.60 C ATOM 2400 CD2 LEU B1055 25.572 -12.371 -14.285 1.00 38.70 C ATOM 0 H LEU B1055 26.469 -10.485 -11.104 1.00 30.80 H new ATOM 0 HA LEU B1055 24.425 -10.277 -13.045 1.00 30.52 H new ATOM 0 HB2 LEU B1055 24.842 -12.410 -10.918 1.00 29.93 H new ATOM 0 HB3 LEU B1055 23.719 -12.576 -12.253 1.00 29.93 H new ATOM 0 HG LEU B1055 26.728 -12.173 -12.567 1.00 31.93 H new ATOM 0 HD11 LEU B1055 26.888 -14.491 -13.220 1.00 38.60 H new ATOM 0 HD12 LEU B1055 26.375 -14.273 -11.530 1.00 38.60 H new ATOM 0 HD13 LEU B1055 25.183 -14.729 -12.770 1.00 38.60 H new ATOM 0 HD21 LEU B1055 26.386 -12.780 -14.883 1.00 38.70 H new ATOM 0 HD22 LEU B1055 24.629 -12.814 -14.605 1.00 38.70 H new ATOM 0 HD23 LEU B1055 25.530 -11.290 -14.420 1.00 38.70 H new ATOM 2412 N LYS B1056 23.246 -10.275 -9.852 1.00 30.18 N ATOM 2413 CA LYS B1056 22.160 -9.969 -8.947 1.00 25.81 C ATOM 2414 C LYS B1056 21.735 -8.497 -9.077 1.00 34.09 C ATOM 2415 O LYS B1056 20.475 -8.164 -9.052 1.00 28.99 O ATOM 2416 CB LYS B1056 22.329 -10.272 -7.510 1.00 27.86 C ATOM 2417 CG LYS B1056 22.164 -11.792 -7.271 1.00 35.57 C ATOM 2418 CD LYS B1056 22.206 -11.854 -5.690 1.00 35.29 C ATOM 2419 CE LYS B1056 22.200 -13.320 -5.193 1.00 43.54 C ATOM 2420 NZ LYS B1056 23.602 -13.872 -5.525 1.00 50.36 N ATOM 0 H LYS B1056 24.096 -10.531 -9.349 1.00 30.18 H new ATOM 0 HA LYS B1056 21.397 -10.670 -9.286 1.00 25.81 H new ATOM 0 HB2 LYS B1056 23.314 -9.947 -7.174 1.00 27.86 H new ATOM 0 HB3 LYS B1056 21.594 -9.721 -6.924 1.00 27.86 H new ATOM 0 HG2 LYS B1056 21.226 -12.174 -7.674 1.00 35.57 H new ATOM 0 HG3 LYS B1056 22.966 -12.371 -7.728 1.00 35.57 H new ATOM 0 HD2 LYS B1056 23.099 -11.346 -5.326 1.00 35.29 H new ATOM 0 HD3 LYS B1056 21.348 -11.323 -5.279 1.00 35.29 H new ATOM 0 HE2 LYS B1056 22.001 -13.371 -4.122 1.00 43.54 H new ATOM 0 HE3 LYS B1056 21.422 -13.900 -5.690 1.00 43.54 H new ATOM 0 HZ1 LYS B1056 23.508 -14.745 -6.083 1.00 50.36 H new ATOM 0 HZ2 LYS B1056 24.132 -13.165 -6.074 1.00 50.36 H new ATOM 0 HZ3 LYS B1056 24.112 -14.078 -4.642 1.00 50.36 H new ATOM 2433 N GLU B1057 22.643 -7.644 -9.376 1.00 31.26 N ATOM 2434 CA GLU B1057 22.297 -6.217 -9.586 1.00 27.38 C ATOM 2435 C GLU B1057 21.564 -6.117 -10.924 1.00 28.95 C ATOM 2436 O GLU B1057 20.666 -5.363 -11.159 1.00 23.82 O ATOM 2437 CB GLU B1057 23.472 -5.208 -9.531 1.00 23.90 C ATOM 2438 CG GLU B1057 23.959 -5.013 -8.052 1.00 23.72 C ATOM 2439 CD GLU B1057 25.282 -4.269 -8.024 1.00 33.39 C ATOM 2440 OE1 GLU B1057 25.775 -3.841 -9.119 1.00 32.77 O ATOM 2441 OE2 GLU B1057 25.757 -4.088 -6.873 1.00 25.04 O ATOM 0 H GLU B1057 23.632 -7.868 -9.488 1.00 31.26 H new ATOM 0 HA GLU B1057 21.677 -5.920 -8.740 1.00 27.38 H new ATOM 0 HB2 GLU B1057 24.296 -5.567 -10.147 1.00 23.90 H new ATOM 0 HB3 GLU B1057 23.157 -4.251 -9.946 1.00 23.90 H new ATOM 0 HG2 GLU B1057 23.211 -4.458 -7.486 1.00 23.72 H new ATOM 0 HG3 GLU B1057 24.070 -5.983 -7.568 1.00 23.72 H new ATOM 2448 N THR B1058 22.091 -6.946 -11.895 1.00 25.96 N ATOM 2449 CA THR B1058 21.545 -6.844 -13.270 1.00 30.59 C ATOM 2450 C THR B1058 20.068 -7.370 -13.283 1.00 22.07 C ATOM 2451 O THR B1058 19.235 -6.820 -13.991 1.00 24.50 O ATOM 2452 CB THR B1058 22.342 -7.733 -14.254 1.00 39.10 C ATOM 2453 OG1 THR B1058 23.628 -7.092 -14.410 1.00 35.61 O ATOM 2454 CG2 THR B1058 21.743 -7.958 -15.659 1.00 25.50 C ATOM 0 H THR B1058 22.832 -7.633 -11.755 1.00 25.96 H new ATOM 0 HA THR B1058 21.608 -5.799 -13.572 1.00 30.59 H new ATOM 0 HB THR B1058 22.357 -8.731 -13.817 1.00 39.10 H new ATOM 0 HG1 THR B1058 24.176 -7.259 -13.615 1.00 35.61 H new ATOM 0 HG21 THR B1058 22.407 -8.599 -16.239 1.00 25.50 H new ATOM 0 HG22 THR B1058 20.767 -8.435 -15.566 1.00 25.50 H new ATOM 0 HG23 THR B1058 21.631 -6.999 -16.165 1.00 25.50 H new ATOM 2462 N SER B1059 19.877 -8.447 -12.564 1.00 21.62 N ATOM 2463 CA SER B1059 18.472 -9.038 -12.649 1.00 32.16 C ATOM 2464 C SER B1059 17.546 -8.089 -11.837 1.00 31.57 C ATOM 2465 O SER B1059 16.429 -7.920 -12.278 1.00 22.99 O ATOM 2466 CB SER B1059 18.479 -10.484 -12.218 1.00 27.19 C ATOM 2467 OG SER B1059 18.898 -10.549 -10.856 1.00 27.33 O ATOM 0 H SER B1059 20.554 -8.921 -11.967 1.00 21.62 H new ATOM 0 HA SER B1059 18.084 -9.084 -13.667 1.00 32.16 H new ATOM 0 HB2 SER B1059 17.485 -10.917 -12.329 1.00 27.19 H new ATOM 0 HB3 SER B1059 19.152 -11.064 -12.849 1.00 27.19 H new ATOM 0 HG SER B1059 18.906 -11.483 -10.560 1.00 27.33 H new ATOM 2473 N PHE B1060 18.002 -7.472 -10.731 1.00 18.78 N ATOM 2474 CA PHE B1060 17.163 -6.483 -10.043 1.00 25.58 C ATOM 2475 C PHE B1060 16.869 -5.307 -10.990 1.00 26.82 C ATOM 2476 O PHE B1060 15.698 -4.921 -11.148 1.00 23.37 O ATOM 2477 CB PHE B1060 17.858 -6.009 -8.769 1.00 23.09 C ATOM 2478 CG PHE B1060 17.043 -4.925 -8.078 1.00 27.61 C ATOM 2479 CD1 PHE B1060 17.061 -3.596 -8.487 1.00 28.42 C ATOM 2480 CD2 PHE B1060 16.268 -5.294 -7.001 1.00 31.86 C ATOM 2481 CE1 PHE B1060 16.282 -2.660 -7.795 1.00 25.68 C ATOM 2482 CE2 PHE B1060 15.509 -4.389 -6.266 1.00 31.35 C ATOM 2483 CZ PHE B1060 15.525 -3.068 -6.714 1.00 27.08 C ATOM 0 H PHE B1060 18.916 -7.635 -10.308 1.00 18.78 H new ATOM 0 HA PHE B1060 16.214 -6.939 -9.759 1.00 25.58 H new ATOM 0 HB2 PHE B1060 17.999 -6.851 -8.092 1.00 23.09 H new ATOM 0 HB3 PHE B1060 18.849 -5.626 -9.011 1.00 23.09 H new ATOM 0 HD1 PHE B1060 17.667 -3.290 -9.327 1.00 28.42 H new ATOM 0 HD2 PHE B1060 16.249 -6.335 -6.714 1.00 31.86 H new ATOM 0 HE1 PHE B1060 16.273 -1.625 -8.105 1.00 25.68 H new ATOM 0 HE2 PHE B1060 14.940 -4.692 -5.399 1.00 31.35 H new ATOM 0 HZ PHE B1060 14.923 -2.336 -6.196 1.00 27.08 H new ATOM 2493 N ASN B1061 17.883 -4.836 -11.714 1.00 21.57 N ATOM 2494 CA ASN B1061 17.649 -3.744 -12.675 1.00 27.76 C ATOM 2495 C ASN B1061 16.739 -4.170 -13.795 1.00 24.44 C ATOM 2496 O ASN B1061 15.839 -3.379 -14.172 1.00 23.06 O ATOM 2497 CB ASN B1061 19.058 -3.363 -13.300 1.00 27.28 C ATOM 2498 CG ASN B1061 19.007 -2.196 -14.214 1.00 27.95 C ATOM 2499 OD1 ASN B1061 18.508 -1.077 -13.655 1.00 38.09 O flip ATOM 2500 ND2 ASN B1061 19.371 -2.243 -15.381 1.00 24.03 N flip ATOM 0 H ASN B1061 18.844 -5.174 -11.663 1.00 21.57 H new ATOM 0 HA ASN B1061 17.179 -2.908 -12.157 1.00 27.76 H new ATOM 0 HB2 ASN B1061 19.759 -3.151 -12.492 1.00 27.28 H new ATOM 0 HB3 ASN B1061 19.449 -4.223 -13.844 1.00 27.28 H new ATOM 0 HD21 ASN B1061 19.743 -3.112 -15.765 1.00 24.03 H new ATOM 0 HD22 ASN B1061 19.302 -1.413 -15.970 1.00 24.03 H new ATOM 2507 N GLN B1062 16.891 -5.373 -14.358 1.00 25.16 N ATOM 2508 CA GLN B1062 15.894 -5.876 -15.330 1.00 26.91 C ATOM 2509 C GLN B1062 14.377 -5.887 -14.819 1.00 21.48 C ATOM 2510 O GLN B1062 13.503 -5.477 -15.620 1.00 22.58 O ATOM 2511 CB GLN B1062 16.294 -7.286 -15.708 1.00 28.08 C ATOM 2512 CG GLN B1062 17.621 -7.218 -16.577 1.00 27.17 C ATOM 2513 CD GLN B1062 18.130 -8.628 -16.769 1.00 26.06 C ATOM 2514 OE1 GLN B1062 17.868 -9.522 -16.026 1.00 22.89 O ATOM 2515 NE2 GLN B1062 18.993 -8.802 -17.792 1.00 26.66 N ATOM 0 H GLN B1062 17.668 -6.006 -14.170 1.00 25.16 H new ATOM 0 HA GLN B1062 15.906 -5.183 -16.171 1.00 26.91 H new ATOM 0 HB2 GLN B1062 16.458 -7.886 -14.813 1.00 28.08 H new ATOM 0 HB3 GLN B1062 15.496 -7.768 -16.273 1.00 28.08 H new ATOM 0 HG2 GLN B1062 17.421 -6.751 -17.541 1.00 27.17 H new ATOM 0 HG3 GLN B1062 18.372 -6.607 -16.077 1.00 27.17 H new ATOM 0 HE21 GLN B1062 19.205 -8.025 -18.418 1.00 26.66 H new ATOM 0 HE22 GLN B1062 19.433 -9.710 -17.939 1.00 26.66 H new ATOM 2524 N ALA B1063 14.196 -6.348 -13.579 1.00 16.15 N ATOM 2525 CA ALA B1063 12.803 -6.436 -13.109 1.00 24.35 C ATOM 2526 C ALA B1063 12.237 -5.096 -12.660 1.00 28.68 C ATOM 2527 O ALA B1063 11.039 -4.955 -12.795 1.00 28.65 O ATOM 2528 CB ALA B1063 12.636 -7.385 -11.895 1.00 22.38 C ATOM 0 H ALA B1063 14.923 -6.644 -12.927 1.00 16.15 H new ATOM 0 HA ALA B1063 12.268 -6.812 -13.981 1.00 24.35 H new ATOM 0 HB1 ALA B1063 11.589 -7.409 -11.593 1.00 22.38 H new ATOM 0 HB2 ALA B1063 12.957 -8.389 -12.171 1.00 22.38 H new ATOM 0 HB3 ALA B1063 13.244 -7.025 -11.065 1.00 22.38 H new ATOM 2534 N TYR B1064 13.034 -4.256 -11.983 1.00 18.77 N ATOM 2535 CA TYR B1064 12.471 -3.047 -11.362 1.00 22.48 C ATOM 2536 C TYR B1064 13.061 -1.771 -11.954 1.00 24.94 C ATOM 2537 O TYR B1064 12.512 -0.714 -11.487 1.00 27.28 O ATOM 2538 CB TYR B1064 12.738 -3.085 -9.846 1.00 20.80 C ATOM 2539 CG TYR B1064 12.330 -4.399 -9.155 1.00 24.03 C ATOM 2540 CD1 TYR B1064 11.004 -4.755 -9.124 1.00 33.03 C ATOM 2541 CD2 TYR B1064 13.263 -5.250 -8.575 1.00 22.51 C ATOM 2542 CE1 TYR B1064 10.599 -5.943 -8.519 1.00 42.11 C ATOM 2543 CE2 TYR B1064 12.888 -6.409 -7.945 1.00 35.61 C ATOM 2544 CZ TYR B1064 11.544 -6.760 -7.906 1.00 36.92 C ATOM 2545 OH TYR B1064 11.117 -7.872 -7.283 1.00 40.05 O ATOM 0 H TYR B1064 14.038 -4.383 -11.853 1.00 18.77 H new ATOM 0 HA TYR B1064 11.399 -3.036 -11.560 1.00 22.48 H new ATOM 0 HB2 TYR B1064 13.801 -2.914 -9.673 1.00 20.80 H new ATOM 0 HB3 TYR B1064 12.202 -2.261 -9.375 1.00 20.80 H new ATOM 0 HD1 TYR B1064 10.267 -4.107 -9.574 1.00 33.03 H new ATOM 0 HD2 TYR B1064 14.311 -4.992 -8.622 1.00 22.51 H new ATOM 0 HE1 TYR B1064 9.557 -6.228 -8.526 1.00 42.11 H new ATOM 0 HE2 TYR B1064 13.630 -7.043 -7.483 1.00 35.61 H new ATOM 0 HH TYR B1064 11.884 -8.348 -6.901 1.00 40.05 H new ATOM 2555 N GLY B1065 13.946 -1.798 -12.925 1.00 25.66 N ATOM 2556 CA GLY B1065 14.700 -0.549 -13.270 1.00 31.31 C ATOM 2557 C GLY B1065 13.697 0.492 -13.842 1.00 26.23 C ATOM 2558 O GLY B1065 13.719 1.615 -13.520 1.00 27.22 O ATOM 0 H GLY B1065 14.176 -2.618 -13.486 1.00 25.66 H new ATOM 0 HA2 GLY B1065 15.196 -0.150 -12.385 1.00 31.31 H new ATOM 0 HA3 GLY B1065 15.478 -0.766 -14.002 1.00 31.31 H new ATOM 2562 N ARG B1066 12.916 -0.012 -14.836 1.00 24.00 N ATOM 2563 CA ARG B1066 11.979 0.900 -15.492 1.00 33.59 C ATOM 2564 C ARG B1066 10.962 1.496 -14.511 1.00 28.65 C ATOM 2565 O ARG B1066 10.663 2.714 -14.593 1.00 25.91 O ATOM 2566 CB ARG B1066 11.216 0.012 -16.527 1.00 39.88 C ATOM 2567 CG ARG B1066 10.561 0.884 -17.587 1.00 42.73 C ATOM 2568 CD ARG B1066 9.202 0.253 -17.900 1.00 65.87 C ATOM 2569 NE ARG B1066 9.182 -0.273 -19.277 1.00 81.83 N ATOM 2570 CZ ARG B1066 8.889 0.532 -20.316 1.00 83.92 C ATOM 2571 NH1 ARG B1066 8.621 1.820 -20.069 1.00 88.51 N ATOM 2572 NH2 ARG B1066 8.847 0.127 -21.584 1.00 56.11 N ATOM 0 H ARG B1066 12.920 -0.975 -15.172 1.00 24.00 H new ATOM 0 HA ARG B1066 12.513 1.739 -15.937 1.00 33.59 H new ATOM 0 HB2 ARG B1066 11.908 -0.687 -16.997 1.00 39.88 H new ATOM 0 HB3 ARG B1066 10.459 -0.584 -16.017 1.00 39.88 H new ATOM 0 HG2 ARG B1066 10.439 1.905 -17.226 1.00 42.73 H new ATOM 0 HG3 ARG B1066 11.180 0.934 -18.483 1.00 42.73 H new ATOM 0 HD2 ARG B1066 8.997 -0.552 -17.194 1.00 65.87 H new ATOM 0 HD3 ARG B1066 8.413 0.995 -17.776 1.00 65.87 H new ATOM 0 HE ARG B1066 9.392 -1.257 -19.445 1.00 81.83 H new ATOM 0 HH11 ARG B1066 8.642 2.171 -19.111 1.00 88.51 H new ATOM 0 HH12 ARG B1066 8.396 2.451 -20.838 1.00 88.51 H new ATOM 0 HH21 ARG B1066 9.044 -0.847 -21.815 1.00 56.11 H new ATOM 0 HH22 ARG B1066 8.618 0.791 -22.324 1.00 56.11 H new ATOM 2585 N ASP B1067 10.349 0.699 -13.611 1.00 24.59 N ATOM 2586 CA ASP B1067 9.408 1.286 -12.639 1.00 26.07 C ATOM 2587 C ASP B1067 10.100 2.348 -11.791 1.00 28.62 C ATOM 2588 O ASP B1067 9.433 3.370 -11.438 1.00 24.73 O ATOM 2589 CB ASP B1067 8.768 0.251 -11.677 1.00 23.94 C ATOM 2590 CG ASP B1067 7.804 -0.635 -12.418 1.00 31.94 C ATOM 2591 OD1 ASP B1067 7.253 -0.301 -13.479 1.00 32.44 O ATOM 2592 OD2 ASP B1067 7.523 -1.759 -11.972 1.00 40.94 O ATOM 0 H ASP B1067 10.481 -0.310 -13.537 1.00 24.59 H new ATOM 0 HA ASP B1067 8.612 1.718 -13.245 1.00 26.07 H new ATOM 0 HB2 ASP B1067 9.547 -0.356 -11.216 1.00 23.94 H new ATOM 0 HB3 ASP B1067 8.248 0.769 -10.871 1.00 23.94 H new ATOM 2597 N LEU B1068 11.343 2.025 -11.330 1.00 25.06 N ATOM 2598 CA LEU B1068 11.991 2.997 -10.455 1.00 24.71 C ATOM 2599 C LEU B1068 12.351 4.262 -11.219 1.00 22.10 C ATOM 2600 O LEU B1068 12.124 5.409 -10.727 1.00 22.09 O ATOM 2601 CB LEU B1068 13.270 2.256 -9.767 1.00 24.19 C ATOM 2602 CG LEU B1068 12.950 1.263 -8.703 1.00 23.08 C ATOM 2603 CD1 LEU B1068 14.230 0.442 -8.295 1.00 22.35 C ATOM 2604 CD2 LEU B1068 12.381 1.922 -7.399 1.00 22.34 C ATOM 0 H LEU B1068 11.864 1.173 -11.536 1.00 25.06 H new ATOM 0 HA LEU B1068 11.320 3.333 -9.664 1.00 24.71 H new ATOM 0 HB2 LEU B1068 13.838 1.752 -10.549 1.00 24.19 H new ATOM 0 HB3 LEU B1068 13.922 3.019 -9.341 1.00 24.19 H new ATOM 0 HG LEU B1068 12.188 0.615 -9.135 1.00 23.08 H new ATOM 0 HD11 LEU B1068 13.969 -0.276 -7.517 1.00 22.35 H new ATOM 0 HD12 LEU B1068 14.614 -0.090 -9.166 1.00 22.35 H new ATOM 0 HD13 LEU B1068 14.994 1.122 -7.920 1.00 22.35 H new ATOM 0 HD21 LEU B1068 12.168 1.147 -6.663 1.00 22.34 H new ATOM 0 HD22 LEU B1068 13.116 2.617 -6.992 1.00 22.34 H new ATOM 0 HD23 LEU B1068 11.463 2.461 -7.634 1.00 22.34 H new ATOM 2616 N MET B1069 12.779 4.127 -12.487 1.00 24.25 N ATOM 2617 CA MET B1069 13.051 5.299 -13.311 1.00 27.46 C ATOM 2618 C MET B1069 11.739 6.119 -13.487 1.00 30.20 C ATOM 2619 O MET B1069 11.808 7.322 -13.421 1.00 25.31 O ATOM 2620 CB MET B1069 13.561 5.087 -14.719 1.00 31.98 C ATOM 2621 CG MET B1069 15.001 4.471 -14.757 1.00 41.53 C ATOM 2622 SD MET B1069 15.653 4.504 -16.416 1.00 63.84 S ATOM 2623 CE MET B1069 14.459 5.562 -17.282 1.00 43.52 C ATOM 0 H MET B1069 12.939 3.232 -12.949 1.00 24.25 H new ATOM 0 HA MET B1069 13.854 5.783 -12.755 1.00 27.46 H new ATOM 0 HB2 MET B1069 12.875 4.430 -15.254 1.00 31.98 H new ATOM 0 HB3 MET B1069 13.565 6.041 -15.247 1.00 31.98 H new ATOM 0 HG2 MET B1069 15.659 5.029 -14.091 1.00 41.53 H new ATOM 0 HG3 MET B1069 14.973 3.444 -14.392 1.00 41.53 H new ATOM 0 HE1 MET B1069 14.733 5.633 -18.335 1.00 43.52 H new ATOM 0 HE2 MET B1069 13.461 5.132 -17.195 1.00 43.52 H new ATOM 0 HE3 MET B1069 14.465 6.557 -16.837 1.00 43.52 H new ATOM 2633 N GLU B1070 10.634 5.490 -13.791 1.00 26.59 N ATOM 2634 CA GLU B1070 9.321 6.186 -13.824 1.00 32.45 C ATOM 2635 C GLU B1070 8.946 6.836 -12.486 1.00 28.89 C ATOM 2636 O GLU B1070 8.494 8.015 -12.515 1.00 25.30 O ATOM 2637 CB GLU B1070 8.176 5.235 -14.302 1.00 32.40 C ATOM 2638 CG GLU B1070 6.910 6.093 -14.591 1.00 35.28 C ATOM 2639 CD GLU B1070 5.660 5.306 -14.964 1.00 46.34 C ATOM 2640 OE1 GLU B1070 5.716 4.101 -15.284 1.00 31.57 O ATOM 2641 OE2 GLU B1070 4.575 5.952 -14.929 1.00 41.87 O ATOM 0 H GLU B1070 10.590 4.498 -14.023 1.00 26.59 H new ATOM 0 HA GLU B1070 9.436 6.991 -14.550 1.00 32.45 H new ATOM 0 HB2 GLU B1070 8.481 4.696 -15.199 1.00 32.40 H new ATOM 0 HB3 GLU B1070 7.961 4.488 -13.538 1.00 32.40 H new ATOM 0 HG2 GLU B1070 6.690 6.695 -13.709 1.00 35.28 H new ATOM 0 HG3 GLU B1070 7.138 6.786 -15.401 1.00 35.28 H new ATOM 2648 N ALA B1071 9.176 6.185 -11.340 1.00 24.67 N ATOM 2649 CA ALA B1071 8.872 6.848 -10.040 1.00 25.05 C ATOM 2650 C ALA B1071 9.737 8.116 -9.936 1.00 30.52 C ATOM 2651 O ALA B1071 9.255 9.123 -9.479 1.00 25.97 O ATOM 2652 CB ALA B1071 9.097 5.980 -8.805 1.00 21.85 C ATOM 0 H ALA B1071 9.555 5.240 -11.270 1.00 24.67 H new ATOM 0 HA ALA B1071 7.805 7.069 -10.045 1.00 25.05 H new ATOM 0 HB1 ALA B1071 8.849 6.550 -7.910 1.00 21.85 H new ATOM 0 HB2 ALA B1071 8.461 5.096 -8.861 1.00 21.85 H new ATOM 0 HB3 ALA B1071 10.142 5.673 -8.762 1.00 21.85 H new ATOM 2658 N GLN B1072 11.067 8.021 -10.275 1.00 27.98 N ATOM 2659 CA GLN B1072 11.843 9.225 -10.338 1.00 31.46 C ATOM 2660 C GLN B1072 11.320 10.282 -11.320 1.00 29.40 C ATOM 2661 O GLN B1072 11.422 11.475 -10.933 1.00 32.33 O ATOM 2662 CB GLN B1072 13.370 8.855 -10.572 1.00 29.71 C ATOM 2663 CG GLN B1072 14.185 10.011 -11.028 1.00 44.03 C ATOM 2664 CD GLN B1072 15.609 9.586 -11.391 1.00 44.92 C ATOM 2665 OE1 GLN B1072 16.367 9.777 -10.429 1.00 43.36 O ATOM 2666 NE2 GLN B1072 15.769 9.104 -12.635 1.00 46.04 N ATOM 0 H GLN B1072 11.565 7.157 -10.491 1.00 27.98 H new ATOM 0 HA GLN B1072 11.740 9.723 -9.374 1.00 31.46 H new ATOM 0 HB2 GLN B1072 13.790 8.465 -9.645 1.00 29.71 H new ATOM 0 HB3 GLN B1072 13.435 8.057 -11.312 1.00 29.71 H new ATOM 0 HG2 GLN B1072 13.710 10.473 -11.894 1.00 44.03 H new ATOM 0 HG3 GLN B1072 14.219 10.766 -10.242 1.00 44.03 H new ATOM 0 HE21 GLN B1072 14.969 9.042 -13.265 1.00 46.04 H new ATOM 0 HE22 GLN B1072 16.691 8.800 -12.950 1.00 46.04 H new ATOM 2675 N GLU B1073 10.790 9.962 -12.537 1.00 29.81 N ATOM 2676 CA GLU B1073 10.258 11.018 -13.364 1.00 28.55 C ATOM 2677 C GLU B1073 9.061 11.704 -12.652 1.00 31.52 C ATOM 2678 O GLU B1073 8.990 12.936 -12.747 1.00 32.30 O ATOM 2679 CB GLU B1073 9.807 10.605 -14.785 1.00 35.50 C ATOM 2680 CG GLU B1073 11.002 9.902 -15.482 1.00 49.36 C ATOM 2681 CD GLU B1073 10.431 9.108 -16.670 1.00 71.21 C ATOM 2682 OE1 GLU B1073 9.524 9.605 -17.403 1.00 79.10 O ATOM 2683 OE2 GLU B1073 10.810 7.948 -16.936 1.00 66.55 O ATOM 0 H GLU B1073 10.733 9.022 -12.928 1.00 29.81 H new ATOM 0 HA GLU B1073 11.101 11.695 -13.502 1.00 28.55 H new ATOM 0 HB2 GLU B1073 8.949 9.935 -14.733 1.00 35.50 H new ATOM 0 HB3 GLU B1073 9.494 11.480 -15.355 1.00 35.50 H new ATOM 0 HG2 GLU B1073 11.733 10.634 -15.824 1.00 49.36 H new ATOM 0 HG3 GLU B1073 11.517 9.238 -14.787 1.00 49.36 H new ATOM 2690 N TRP B1074 8.176 10.948 -12.017 1.00 25.31 N ATOM 2691 CA TRP B1074 7.091 11.615 -11.275 1.00 29.34 C ATOM 2692 C TRP B1074 7.634 12.542 -10.184 1.00 24.97 C ATOM 2693 O TRP B1074 7.041 13.640 -9.971 1.00 29.02 O ATOM 2694 CB TRP B1074 6.154 10.609 -10.594 1.00 29.08 C ATOM 2695 CG TRP B1074 5.276 9.934 -11.644 1.00 31.63 C ATOM 2696 CD1 TRP B1074 5.354 8.695 -12.167 1.00 32.73 C ATOM 2697 CD2 TRP B1074 4.133 10.541 -12.314 1.00 32.10 C ATOM 2698 NE1 TRP B1074 4.409 8.468 -13.144 1.00 45.28 N ATOM 2699 CE2 TRP B1074 3.666 9.608 -13.223 1.00 37.62 C ATOM 2700 CE3 TRP B1074 3.557 11.813 -12.195 1.00 30.63 C ATOM 2701 CZ2 TRP B1074 2.538 9.837 -14.065 1.00 33.74 C ATOM 2702 CZ3 TRP B1074 2.448 12.077 -13.001 1.00 33.47 C ATOM 2703 CH2 TRP B1074 2.027 11.086 -13.858 1.00 32.36 C ATOM 0 H TRP B1074 8.174 9.928 -11.992 1.00 25.31 H new ATOM 0 HA TRP B1074 6.542 12.190 -12.021 1.00 29.34 H new ATOM 0 HB2 TRP B1074 6.736 9.860 -10.057 1.00 29.08 H new ATOM 0 HB3 TRP B1074 5.532 11.117 -9.858 1.00 29.08 H new ATOM 0 HD1 TRP B1074 6.079 7.959 -11.854 1.00 32.73 H new ATOM 0 HE1 TRP B1074 4.290 7.619 -13.696 1.00 45.28 H new ATOM 0 HE3 TRP B1074 3.951 12.552 -11.514 1.00 30.63 H new ATOM 0 HZ2 TRP B1074 2.142 9.121 -14.770 1.00 33.74 H new ATOM 0 HZ3 TRP B1074 1.937 13.028 -12.953 1.00 33.47 H new ATOM 0 HH2 TRP B1074 1.163 11.333 -14.457 1.00 32.36 H new ATOM 2714 N CYS B1075 8.627 11.985 -9.407 1.00 24.04 N ATOM 2715 CA CYS B1075 9.177 12.917 -8.373 1.00 30.36 C ATOM 2716 C CYS B1075 9.708 14.211 -9.020 1.00 30.86 C ATOM 2717 O CYS B1075 9.599 15.314 -8.484 1.00 30.76 O ATOM 2718 CB CYS B1075 10.337 12.328 -7.555 1.00 33.50 C ATOM 2719 SG CYS B1075 9.861 11.148 -6.289 1.00 37.28 S ATOM 0 H CYS B1075 9.012 11.042 -9.460 1.00 24.04 H new ATOM 0 HA CYS B1075 8.335 13.108 -7.708 1.00 30.36 H new ATOM 0 HB2 CYS B1075 11.032 11.841 -8.239 1.00 33.50 H new ATOM 0 HB3 CYS B1075 10.878 13.147 -7.080 1.00 33.50 H new ATOM 0 HG CYS B1075 10.923 10.722 -5.671 1.00 37.28 H new ATOM 2725 N ARG B1076 10.477 14.066 -10.125 1.00 28.17 N ATOM 2726 CA ARG B1076 10.997 15.244 -10.801 1.00 33.87 C ATOM 2727 C ARG B1076 9.816 16.098 -11.316 1.00 38.57 C ATOM 2728 O ARG B1076 9.994 17.354 -11.351 1.00 30.79 O ATOM 2729 CB ARG B1076 11.931 14.916 -11.946 1.00 20.09 C ATOM 2730 CG ARG B1076 13.163 14.105 -11.486 1.00 21.48 C ATOM 2731 CD ARG B1076 13.918 13.940 -12.796 1.00 34.52 C ATOM 2732 NE ARG B1076 15.146 13.291 -12.797 1.00 39.03 N ATOM 2733 CZ ARG B1076 16.300 13.118 -12.248 1.00 45.73 C ATOM 2734 NH1 ARG B1076 16.626 13.781 -11.143 1.00 36.10 N ATOM 2735 NH2 ARG B1076 17.206 12.256 -12.784 1.00 41.28 N ATOM 0 H ARG B1076 10.736 13.173 -10.544 1.00 28.17 H new ATOM 0 HA ARG B1076 11.587 15.798 -10.071 1.00 33.87 H new ATOM 0 HB2 ARG B1076 11.389 14.350 -12.703 1.00 20.09 H new ATOM 0 HB3 ARG B1076 12.263 15.841 -12.417 1.00 20.09 H new ATOM 0 HG2 ARG B1076 13.750 14.638 -10.738 1.00 21.48 H new ATOM 0 HG3 ARG B1076 12.884 13.146 -11.049 1.00 21.48 H new ATOM 0 HD2 ARG B1076 13.265 13.405 -13.485 1.00 34.52 H new ATOM 0 HD3 ARG B1076 14.074 14.935 -13.212 1.00 34.52 H new ATOM 0 HE ARG B1076 15.126 12.663 -13.601 1.00 39.03 H new ATOM 0 HH11 ARG B1076 15.962 14.432 -10.724 1.00 36.10 H new ATOM 0 HH12 ARG B1076 17.541 13.639 -10.714 1.00 36.10 H new ATOM 0 HH21 ARG B1076 16.976 11.736 -13.631 1.00 41.28 H new ATOM 0 HH22 ARG B1076 18.115 12.129 -12.339 1.00 41.28 H new ATOM 2748 N LYS B1077 8.675 15.492 -11.709 1.00 30.96 N ATOM 2749 CA LYS B1077 7.559 16.306 -12.101 1.00 36.67 C ATOM 2750 C LYS B1077 7.047 17.221 -10.991 1.00 29.89 C ATOM 2751 O LYS B1077 6.696 18.418 -11.159 1.00 29.10 O ATOM 2752 CB LYS B1077 6.333 15.534 -12.678 1.00 40.81 C ATOM 2753 CG LYS B1077 6.521 14.936 -14.057 1.00 56.13 C ATOM 2754 CD LYS B1077 5.306 14.108 -14.479 1.00 67.13 C ATOM 2755 CE LYS B1077 5.581 13.218 -15.677 1.00 72.23 C ATOM 2756 NZ LYS B1077 4.736 11.989 -15.782 1.00 68.67 N ATOM 0 H LYS B1077 8.527 14.484 -11.755 1.00 30.96 H new ATOM 0 HA LYS B1077 7.998 16.897 -12.905 1.00 36.67 H new ATOM 0 HB2 LYS B1077 6.074 14.732 -11.987 1.00 40.81 H new ATOM 0 HB3 LYS B1077 5.482 16.214 -12.710 1.00 40.81 H new ATOM 0 HG2 LYS B1077 6.688 15.734 -14.781 1.00 56.13 H new ATOM 0 HG3 LYS B1077 7.411 14.307 -14.064 1.00 56.13 H new ATOM 0 HD2 LYS B1077 4.986 13.490 -13.640 1.00 67.13 H new ATOM 0 HD3 LYS B1077 4.480 14.779 -14.714 1.00 67.13 H new ATOM 0 HE2 LYS B1077 5.445 13.808 -16.583 1.00 72.23 H new ATOM 0 HE3 LYS B1077 6.628 12.915 -15.648 1.00 72.23 H new ATOM 0 HZ1 LYS B1077 5.336 11.146 -15.681 1.00 68.67 H new ATOM 0 HZ2 LYS B1077 4.019 11.995 -15.029 1.00 68.67 H new ATOM 0 HZ3 LYS B1077 4.265 11.970 -16.709 1.00 68.67 H new ATOM 2769 N TYR B1078 6.993 16.637 -9.820 1.00 25.55 N ATOM 2770 CA TYR B1078 6.607 17.321 -8.614 1.00 28.53 C ATOM 2771 C TYR B1078 7.554 18.520 -8.231 1.00 34.96 C ATOM 2772 O TYR B1078 7.096 19.560 -7.750 1.00 27.20 O ATOM 2773 CB TYR B1078 6.601 16.318 -7.445 1.00 23.32 C ATOM 2774 CG TYR B1078 6.393 17.062 -6.138 1.00 29.49 C ATOM 2775 CD1 TYR B1078 5.192 17.623 -5.855 1.00 30.94 C ATOM 2776 CD2 TYR B1078 7.455 17.196 -5.209 1.00 26.19 C ATOM 2777 CE1 TYR B1078 4.988 18.268 -4.662 1.00 32.09 C ATOM 2778 CE2 TYR B1078 7.292 17.907 -4.062 1.00 22.52 C ATOM 2779 CZ TYR B1078 6.075 18.396 -3.765 1.00 29.67 C ATOM 2780 OH TYR B1078 5.819 19.098 -2.585 1.00 31.66 O ATOM 0 H TYR B1078 7.221 15.653 -9.677 1.00 25.55 H new ATOM 0 HA TYR B1078 5.618 17.738 -8.802 1.00 28.53 H new ATOM 0 HB2 TYR B1078 5.809 15.583 -7.587 1.00 23.32 H new ATOM 0 HB3 TYR B1078 7.543 15.770 -7.418 1.00 23.32 H new ATOM 0 HD1 TYR B1078 4.389 17.562 -6.575 1.00 30.94 H new ATOM 0 HD2 TYR B1078 8.406 16.727 -5.415 1.00 26.19 H new ATOM 0 HE1 TYR B1078 4.017 18.670 -4.412 1.00 32.09 H new ATOM 0 HE2 TYR B1078 8.128 18.077 -3.399 1.00 22.52 H new ATOM 0 HH TYR B1078 6.632 19.127 -2.039 1.00 31.66 H new ATOM 2790 N MET B1079 8.826 18.229 -8.460 1.00 25.60 N ATOM 2791 CA MET B1079 9.823 19.291 -8.152 1.00 29.79 C ATOM 2792 C MET B1079 9.440 20.520 -8.913 1.00 28.65 C ATOM 2793 O MET B1079 9.491 21.632 -8.367 1.00 35.02 O ATOM 2794 CB MET B1079 11.225 18.722 -8.458 1.00 28.97 C ATOM 2795 CG MET B1079 11.509 17.490 -7.519 1.00 35.17 C ATOM 2796 SD MET B1079 13.156 16.874 -7.942 1.00 35.60 S ATOM 2797 CE MET B1079 13.612 15.953 -6.466 1.00 46.80 C ATOM 0 H MET B1079 9.190 17.350 -8.826 1.00 25.60 H new ATOM 0 HA MET B1079 9.843 19.589 -7.104 1.00 29.79 H new ATOM 0 HB2 MET B1079 11.285 18.418 -9.503 1.00 28.97 H new ATOM 0 HB3 MET B1079 11.982 19.491 -8.306 1.00 28.97 H new ATOM 0 HG2 MET B1079 11.465 17.785 -6.471 1.00 35.17 H new ATOM 0 HG3 MET B1079 10.758 16.714 -7.663 1.00 35.17 H new ATOM 0 HE1 MET B1079 14.605 15.523 -6.598 1.00 46.80 H new ATOM 0 HE2 MET B1079 13.617 16.623 -5.606 1.00 46.80 H new ATOM 0 HE3 MET B1079 12.890 15.154 -6.298 1.00 46.80 H new ATOM 2807 N LYS B1080 9.041 20.367 -10.141 1.00 27.73 N ATOM 2808 CA LYS B1080 8.781 21.519 -10.976 1.00 39.13 C ATOM 2809 C LYS B1080 7.302 21.935 -10.794 1.00 39.79 C ATOM 2810 O LYS B1080 6.992 23.130 -10.849 1.00 37.31 O ATOM 2811 CB LYS B1080 9.008 21.246 -12.468 1.00 38.35 C ATOM 2812 CG LYS B1080 10.455 21.414 -12.924 1.00 50.34 C ATOM 2813 CD LYS B1080 10.558 20.798 -14.308 1.00 62.58 C ATOM 2814 CE LYS B1080 11.972 20.655 -14.837 1.00 65.49 C ATOM 2815 NZ LYS B1080 11.955 21.163 -16.255 1.00 70.07 N ATOM 0 H LYS B1080 8.887 19.465 -10.591 1.00 27.73 H new ATOM 0 HA LYS B1080 9.476 22.300 -10.668 1.00 39.13 H new ATOM 0 HB2 LYS B1080 8.684 20.230 -12.693 1.00 38.35 H new ATOM 0 HB3 LYS B1080 8.376 21.918 -13.049 1.00 38.35 H new ATOM 0 HG2 LYS B1080 10.732 22.468 -12.949 1.00 50.34 H new ATOM 0 HG3 LYS B1080 11.137 20.922 -12.231 1.00 50.34 H new ATOM 0 HD2 LYS B1080 10.091 19.813 -14.288 1.00 62.58 H new ATOM 0 HD3 LYS B1080 9.984 21.408 -15.006 1.00 62.58 H new ATOM 0 HE2 LYS B1080 12.673 21.227 -14.229 1.00 65.49 H new ATOM 0 HE3 LYS B1080 12.295 19.615 -14.802 1.00 65.49 H new ATOM 0 HZ1 LYS B1080 12.908 21.085 -16.663 1.00 70.07 H new ATOM 0 HZ2 LYS B1080 11.290 20.597 -16.819 1.00 70.07 H new ATOM 0 HZ3 LYS B1080 11.655 22.159 -16.263 1.00 70.07 H new ATOM 2828 N SER B1081 6.336 21.084 -10.693 1.00 33.24 N ATOM 2829 CA SER B1081 4.929 21.444 -10.558 1.00 39.42 C ATOM 2830 C SER B1081 4.510 21.926 -9.184 1.00 31.69 C ATOM 2831 O SER B1081 3.599 22.706 -9.045 1.00 36.96 O ATOM 2832 CB SER B1081 3.973 20.283 -10.907 1.00 41.74 C ATOM 2833 OG SER B1081 3.927 19.385 -9.798 1.00 30.34 O ATOM 0 H SER B1081 6.491 20.076 -10.701 1.00 33.24 H new ATOM 0 HA SER B1081 4.846 22.266 -11.269 1.00 39.42 H new ATOM 0 HB2 SER B1081 2.976 20.666 -11.126 1.00 41.74 H new ATOM 0 HB3 SER B1081 4.318 19.764 -11.801 1.00 41.74 H new ATOM 0 HG SER B1081 3.687 18.488 -10.113 1.00 30.34 H new ATOM 2839 N GLY B1082 5.012 21.474 -8.054 1.00 23.51 N ATOM 2840 CA GLY B1082 4.458 21.761 -6.696 1.00 26.17 C ATOM 2841 C GLY B1082 3.123 21.007 -6.466 1.00 27.23 C ATOM 2842 O GLY B1082 2.653 21.235 -5.339 1.00 28.20 O ATOM 0 H GLY B1082 5.839 20.878 -8.026 1.00 23.51 H new ATOM 0 HA2 GLY B1082 5.181 21.466 -5.935 1.00 26.17 H new ATOM 0 HA3 GLY B1082 4.297 22.833 -6.585 1.00 26.17 H new ATOM 2846 N ASN B1083 2.794 20.029 -7.275 1.00 28.47 N ATOM 2847 CA ASN B1083 1.459 19.389 -7.060 1.00 31.50 C ATOM 2848 C ASN B1083 1.644 18.026 -6.363 1.00 24.86 C ATOM 2849 O ASN B1083 2.167 17.184 -7.092 1.00 29.26 O ATOM 2850 CB ASN B1083 0.884 19.130 -8.472 1.00 32.23 C ATOM 2851 CG ASN B1083 -0.458 18.411 -8.322 1.00 47.09 C ATOM 2852 OD1 ASN B1083 -1.012 18.108 -7.139 1.00 61.40 O flip ATOM 2853 ND2 ASN B1083 -1.033 18.114 -9.374 1.00 32.97 N flip ATOM 0 H ASN B1083 3.360 19.660 -8.039 1.00 28.47 H new ATOM 0 HA ASN B1083 0.812 20.019 -6.449 1.00 31.50 H new ATOM 0 HB2 ASN B1083 0.753 20.071 -9.006 1.00 32.23 H new ATOM 0 HB3 ASN B1083 1.575 18.524 -9.058 1.00 32.23 H new ATOM 0 HD21 ASN B1083 -0.607 18.347 -10.271 1.00 32.97 H new ATOM 0 HD22 ASN B1083 -1.934 17.636 -9.346 1.00 32.97 H new ATOM 2860 N VAL B1084 1.285 17.776 -5.134 1.00 24.49 N ATOM 2861 CA VAL B1084 1.434 16.557 -4.403 1.00 31.48 C ATOM 2862 C VAL B1084 0.894 15.333 -5.083 1.00 35.06 C ATOM 2863 O VAL B1084 1.433 14.158 -4.837 1.00 28.00 O ATOM 2864 CB VAL B1084 1.026 16.637 -2.937 1.00 41.03 C ATOM 2865 CG1 VAL B1084 -0.397 17.059 -2.578 1.00 42.68 C ATOM 2866 CG2 VAL B1084 1.040 15.244 -2.255 1.00 42.78 C ATOM 0 H VAL B1084 0.837 18.496 -4.567 1.00 24.49 H new ATOM 0 HA VAL B1084 2.516 16.424 -4.399 1.00 31.48 H new ATOM 0 HB VAL B1084 1.752 17.385 -2.618 1.00 41.03 H new ATOM 0 HG11 VAL B1084 -0.513 17.062 -1.494 1.00 42.68 H new ATOM 0 HG12 VAL B1084 -0.589 18.059 -2.966 1.00 42.68 H new ATOM 0 HG13 VAL B1084 -1.106 16.357 -3.017 1.00 42.68 H new ATOM 0 HG21 VAL B1084 0.743 15.347 -1.211 1.00 42.78 H new ATOM 0 HG22 VAL B1084 0.343 14.581 -2.767 1.00 42.78 H new ATOM 0 HG23 VAL B1084 2.044 14.824 -2.307 1.00 42.78 H new ATOM 2876 N LYS B1085 -0.093 15.358 -5.977 1.00 36.65 N ATOM 2877 CA LYS B1085 -0.557 14.287 -6.794 1.00 43.95 C ATOM 2878 C LYS B1085 0.531 13.687 -7.694 1.00 39.26 C ATOM 2879 O LYS B1085 0.525 12.468 -7.866 1.00 30.10 O ATOM 2880 CB LYS B1085 -1.697 14.880 -7.673 1.00 46.38 C ATOM 2881 CG LYS B1085 -3.079 14.549 -7.172 1.00 63.88 C ATOM 2882 CD LYS B1085 -3.289 14.669 -5.679 1.00 67.12 C ATOM 2883 CE LYS B1085 -3.876 13.396 -5.068 1.00 73.61 C ATOM 2884 NZ LYS B1085 -2.869 12.419 -4.568 1.00 53.02 N ATOM 0 H LYS B1085 -0.622 16.214 -6.147 1.00 36.65 H new ATOM 0 HA LYS B1085 -0.891 13.469 -6.156 1.00 43.95 H new ATOM 0 HB2 LYS B1085 -1.585 15.963 -7.716 1.00 46.38 H new ATOM 0 HB3 LYS B1085 -1.590 14.508 -8.692 1.00 46.38 H new ATOM 0 HG2 LYS B1085 -3.792 15.204 -7.673 1.00 63.88 H new ATOM 0 HG3 LYS B1085 -3.318 13.529 -7.472 1.00 63.88 H new ATOM 0 HD2 LYS B1085 -2.337 14.894 -5.198 1.00 67.12 H new ATOM 0 HD3 LYS B1085 -3.955 15.507 -5.475 1.00 67.12 H new ATOM 0 HE2 LYS B1085 -4.531 13.675 -4.243 1.00 73.61 H new ATOM 0 HE3 LYS B1085 -4.498 12.904 -5.816 1.00 73.61 H new ATOM 0 HZ1 LYS B1085 -3.355 11.630 -4.097 1.00 53.02 H new ATOM 0 HZ2 LYS B1085 -2.312 12.055 -5.367 1.00 53.02 H new ATOM 0 HZ3 LYS B1085 -2.236 12.889 -3.891 1.00 53.02 H new ATOM 2897 N ASP B1086 1.494 14.565 -8.109 1.00 29.91 N ATOM 2898 CA ASP B1086 2.600 13.972 -8.862 1.00 32.59 C ATOM 2899 C ASP B1086 3.467 13.084 -7.915 1.00 28.82 C ATOM 2900 O ASP B1086 3.972 12.021 -8.377 1.00 29.78 O ATOM 2901 CB ASP B1086 3.498 15.035 -9.446 1.00 27.24 C ATOM 2902 CG ASP B1086 2.877 15.813 -10.639 1.00 40.58 C ATOM 2903 OD1 ASP B1086 2.039 15.185 -11.317 1.00 36.44 O ATOM 2904 OD2 ASP B1086 3.241 16.946 -10.936 1.00 33.80 O ATOM 0 H ASP B1086 1.520 15.572 -7.951 1.00 29.91 H new ATOM 0 HA ASP B1086 2.167 13.379 -9.667 1.00 32.59 H new ATOM 0 HB2 ASP B1086 3.759 15.745 -8.661 1.00 27.24 H new ATOM 0 HB3 ASP B1086 4.426 14.569 -9.776 1.00 27.24 H new ATOM 2909 N LEU B1087 3.666 13.477 -6.654 1.00 24.01 N ATOM 2910 CA LEU B1087 4.440 12.607 -5.773 1.00 29.75 C ATOM 2911 C LEU B1087 3.660 11.402 -5.365 1.00 34.01 C ATOM 2912 O LEU B1087 4.260 10.259 -5.298 1.00 25.84 O ATOM 2913 CB LEU B1087 4.962 13.534 -4.690 1.00 33.91 C ATOM 2914 CG LEU B1087 5.838 13.162 -3.570 1.00 43.18 C ATOM 2915 CD1 LEU B1087 7.172 12.658 -4.248 1.00 38.01 C ATOM 2916 CD2 LEU B1087 6.027 14.347 -2.651 1.00 31.84 C ATOM 0 H LEU B1087 3.323 14.343 -6.239 1.00 24.01 H new ATOM 0 HA LEU B1087 5.299 12.123 -6.238 1.00 29.75 H new ATOM 0 HB2 LEU B1087 5.484 14.333 -5.216 1.00 33.91 H new ATOM 0 HB3 LEU B1087 4.077 13.978 -4.234 1.00 33.91 H new ATOM 0 HG LEU B1087 5.430 12.378 -2.933 1.00 43.18 H new ATOM 0 HD11 LEU B1087 7.882 12.360 -3.477 1.00 38.01 H new ATOM 0 HD12 LEU B1087 6.954 11.804 -4.890 1.00 38.01 H new ATOM 0 HD13 LEU B1087 7.602 13.461 -4.846 1.00 38.01 H new ATOM 0 HD21 LEU B1087 6.677 14.065 -1.823 1.00 31.84 H new ATOM 0 HD22 LEU B1087 6.481 15.169 -3.205 1.00 31.84 H new ATOM 0 HD23 LEU B1087 5.059 14.663 -2.261 1.00 31.84 H new ATOM 2928 N THR B1088 2.305 11.564 -5.339 1.00 28.08 N ATOM 2929 CA THR B1088 1.622 10.242 -4.927 1.00 33.21 C ATOM 2930 C THR B1088 1.929 9.285 -6.006 1.00 25.04 C ATOM 2931 O THR B1088 1.824 8.048 -5.756 1.00 26.90 O ATOM 2932 CB THR B1088 0.100 10.441 -4.703 1.00 44.02 C ATOM 2933 OG1 THR B1088 -0.370 11.115 -5.844 1.00 42.86 O ATOM 2934 CG2 THR B1088 -0.208 11.385 -3.554 1.00 37.49 C ATOM 0 H THR B1088 1.739 12.388 -5.543 1.00 28.08 H new ATOM 0 HA THR B1088 1.991 9.867 -3.973 1.00 33.21 H new ATOM 0 HB THR B1088 -0.345 9.466 -4.503 1.00 44.02 H new ATOM 0 HG1 THR B1088 0.391 11.440 -6.369 1.00 42.86 H new ATOM 0 HG21 THR B1088 -1.288 11.485 -3.445 1.00 37.49 H new ATOM 0 HG22 THR B1088 0.214 10.986 -2.632 1.00 37.49 H new ATOM 0 HG23 THR B1088 0.228 12.363 -3.759 1.00 37.49 H new ATOM 2942 N GLN B1089 1.880 9.749 -7.309 1.00 21.03 N ATOM 2943 CA GLN B1089 1.996 8.764 -8.462 1.00 26.17 C ATOM 2944 C GLN B1089 3.358 8.000 -8.375 1.00 29.92 C ATOM 2945 O GLN B1089 3.612 6.784 -8.652 1.00 25.25 O ATOM 2946 CB GLN B1089 2.168 9.518 -9.858 1.00 28.97 C ATOM 2947 CG GLN B1089 0.839 9.740 -10.507 1.00 51.50 C ATOM 2948 CD GLN B1089 -0.021 8.486 -10.708 1.00 58.10 C ATOM 2949 OE1 GLN B1089 -1.103 8.601 -10.081 1.00 44.24 O ATOM 2950 NE2 GLN B1089 0.402 7.504 -11.465 1.00 48.46 N ATOM 0 H GLN B1089 1.769 10.727 -7.578 1.00 21.03 H new ATOM 0 HA GLN B1089 1.104 8.140 -8.402 1.00 26.17 H new ATOM 0 HB2 GLN B1089 2.666 10.475 -9.701 1.00 28.97 H new ATOM 0 HB3 GLN B1089 2.807 8.931 -10.518 1.00 28.97 H new ATOM 0 HG2 GLN B1089 0.275 10.452 -9.904 1.00 51.50 H new ATOM 0 HG3 GLN B1089 1.003 10.205 -11.479 1.00 51.50 H new ATOM 0 HE21 GLN B1089 1.318 7.562 -11.911 1.00 48.46 H new ATOM 0 HE22 GLN B1089 -0.184 6.682 -11.609 1.00 48.46 H new ATOM 2959 N ALA B1090 4.284 8.838 -7.864 1.00 21.31 N ATOM 2960 CA ALA B1090 5.634 8.136 -7.647 1.00 19.86 C ATOM 2961 C ALA B1090 5.525 7.072 -6.571 1.00 24.53 C ATOM 2962 O ALA B1090 6.051 6.013 -6.802 1.00 22.81 O ATOM 2963 CB ALA B1090 6.708 9.189 -7.217 1.00 17.77 C ATOM 0 H ALA B1090 4.193 9.824 -7.621 1.00 21.31 H new ATOM 0 HA ALA B1090 5.927 7.660 -8.583 1.00 19.86 H new ATOM 0 HB1 ALA B1090 7.665 8.691 -7.063 1.00 17.77 H new ATOM 0 HB2 ALA B1090 6.812 9.942 -7.998 1.00 17.77 H new ATOM 0 HB3 ALA B1090 6.396 9.669 -6.290 1.00 17.77 H new ATOM 2969 N TRP B1091 4.692 7.332 -5.460 1.00 20.51 N ATOM 2970 CA TRP B1091 4.620 6.318 -4.408 1.00 19.57 C ATOM 2971 C TRP B1091 3.849 5.107 -4.859 1.00 21.01 C ATOM 2972 O TRP B1091 4.091 4.003 -4.235 1.00 21.31 O ATOM 2973 CB TRP B1091 3.976 6.934 -3.085 1.00 21.23 C ATOM 2974 CG TRP B1091 5.127 7.623 -2.397 1.00 24.28 C ATOM 2975 CD1 TRP B1091 5.487 8.952 -2.407 1.00 23.77 C ATOM 2976 CD2 TRP B1091 6.175 6.938 -1.739 1.00 28.13 C ATOM 2977 NE1 TRP B1091 6.635 9.145 -1.718 1.00 28.55 N ATOM 2978 CE2 TRP B1091 7.112 7.902 -1.286 1.00 33.52 C ATOM 2979 CE3 TRP B1091 6.403 5.599 -1.467 1.00 21.52 C ATOM 2980 CZ2 TRP B1091 8.245 7.538 -0.640 1.00 26.72 C ATOM 2981 CZ3 TRP B1091 7.531 5.250 -0.784 1.00 27.68 C ATOM 2982 CH2 TRP B1091 8.450 6.188 -0.301 1.00 26.59 C ATOM 0 H TRP B1091 4.128 8.170 -5.318 1.00 20.51 H new ATOM 0 HA TRP B1091 5.637 5.996 -4.186 1.00 19.57 H new ATOM 0 HB2 TRP B1091 3.176 7.636 -3.321 1.00 21.23 H new ATOM 0 HB3 TRP B1091 3.543 6.157 -2.455 1.00 21.23 H new ATOM 0 HD1 TRP B1091 4.928 9.735 -2.899 1.00 23.77 H new ATOM 0 HE1 TRP B1091 7.079 10.046 -1.542 1.00 28.55 H new ATOM 0 HE3 TRP B1091 5.700 4.845 -1.790 1.00 21.52 H new ATOM 0 HZ2 TRP B1091 8.987 8.280 -0.386 1.00 26.72 H new ATOM 0 HZ3 TRP B1091 7.723 4.202 -0.608 1.00 27.68 H new ATOM 0 HH2 TRP B1091 9.287 5.886 0.311 1.00 26.59 H new ATOM 2993 N ASP B1092 2.967 5.180 -5.879 1.00 22.91 N ATOM 2994 CA ASP B1092 2.261 3.963 -6.327 1.00 26.92 C ATOM 2995 C ASP B1092 3.293 3.011 -6.990 1.00 22.88 C ATOM 2996 O ASP B1092 3.280 1.802 -6.718 1.00 20.38 O ATOM 2997 CB ASP B1092 1.135 4.410 -7.254 1.00 27.28 C ATOM 2998 CG ASP B1092 0.378 3.278 -7.935 1.00 33.49 C ATOM 2999 OD1 ASP B1092 -0.182 2.489 -7.134 1.00 31.98 O ATOM 3000 OD2 ASP B1092 0.362 3.181 -9.184 1.00 40.54 O ATOM 0 H ASP B1092 2.734 6.032 -6.389 1.00 22.91 H new ATOM 0 HA ASP B1092 1.809 3.400 -5.510 1.00 26.92 H new ATOM 0 HB2 ASP B1092 0.427 5.007 -6.680 1.00 27.28 H new ATOM 0 HB3 ASP B1092 1.553 5.062 -8.021 1.00 27.28 H new ATOM 3005 N LEU B1093 4.204 3.550 -7.756 1.00 21.73 N ATOM 3006 CA LEU B1093 5.258 2.761 -8.413 1.00 26.28 C ATOM 3007 C LEU B1093 6.279 2.324 -7.358 1.00 27.06 C ATOM 3008 O LEU B1093 6.617 1.092 -7.432 1.00 21.90 O ATOM 3009 CB LEU B1093 5.925 3.630 -9.494 1.00 22.00 C ATOM 3010 CG LEU B1093 5.092 3.886 -10.742 1.00 30.94 C ATOM 3011 CD1 LEU B1093 5.729 5.054 -11.502 1.00 26.46 C ATOM 3012 CD2 LEU B1093 5.231 2.693 -11.700 1.00 25.66 C ATOM 0 H LEU B1093 4.252 4.549 -7.954 1.00 21.73 H new ATOM 0 HA LEU B1093 4.840 1.872 -8.885 1.00 26.28 H new ATOM 0 HB2 LEU B1093 6.187 4.591 -9.051 1.00 22.00 H new ATOM 0 HB3 LEU B1093 6.858 3.152 -9.794 1.00 22.00 H new ATOM 0 HG LEU B1093 4.058 4.065 -10.448 1.00 30.94 H new ATOM 0 HD11 LEU B1093 5.151 5.260 -12.403 1.00 26.46 H new ATOM 0 HD12 LEU B1093 5.738 5.940 -10.867 1.00 26.46 H new ATOM 0 HD13 LEU B1093 6.751 4.794 -11.778 1.00 26.46 H new ATOM 0 HD21 LEU B1093 4.635 2.874 -12.595 1.00 25.66 H new ATOM 0 HD22 LEU B1093 6.277 2.571 -11.979 1.00 25.66 H new ATOM 0 HD23 LEU B1093 4.879 1.787 -11.207 1.00 25.66 H new ATOM 3024 N TYR B1094 6.577 3.187 -6.371 1.00 22.30 N ATOM 3025 CA TYR B1094 7.518 2.679 -5.353 1.00 22.91 C ATOM 3026 C TYR B1094 6.906 1.508 -4.565 1.00 21.14 C ATOM 3027 O TYR B1094 7.575 0.517 -4.245 1.00 23.88 O ATOM 3028 CB TYR B1094 7.925 3.782 -4.349 1.00 19.41 C ATOM 3029 CG TYR B1094 8.895 4.864 -4.897 1.00 22.50 C ATOM 3030 CD1 TYR B1094 10.089 4.552 -5.574 1.00 23.71 C ATOM 3031 CD2 TYR B1094 8.682 6.153 -4.635 1.00 25.15 C ATOM 3032 CE1 TYR B1094 11.021 5.519 -5.980 1.00 16.92 C ATOM 3033 CE2 TYR B1094 9.557 7.229 -5.065 1.00 20.43 C ATOM 3034 CZ TYR B1094 10.708 6.858 -5.706 1.00 21.53 C ATOM 3035 OH TYR B1094 11.639 7.811 -6.176 1.00 20.39 O ATOM 0 H TYR B1094 6.227 4.138 -6.255 1.00 22.30 H new ATOM 0 HA TYR B1094 8.402 2.340 -5.893 1.00 22.91 H new ATOM 0 HB2 TYR B1094 7.021 4.277 -3.994 1.00 19.41 H new ATOM 0 HB3 TYR B1094 8.389 3.308 -3.484 1.00 19.41 H new ATOM 0 HD1 TYR B1094 10.298 3.515 -5.792 1.00 23.71 H new ATOM 0 HD2 TYR B1094 7.802 6.414 -4.066 1.00 25.15 H new ATOM 0 HE1 TYR B1094 11.938 5.244 -6.481 1.00 16.92 H new ATOM 0 HE2 TYR B1094 9.313 8.266 -4.889 1.00 20.43 H new ATOM 0 HH TYR B1094 12.536 7.415 -6.185 1.00 20.39 H new ATOM 3045 N TYR B1095 5.629 1.593 -4.242 1.00 21.63 N ATOM 3046 CA TYR B1095 4.988 0.553 -3.380 1.00 21.22 C ATOM 3047 C TYR B1095 4.927 -0.721 -4.214 1.00 19.55 C ATOM 3048 O TYR B1095 5.129 -1.773 -3.613 1.00 22.68 O ATOM 3049 CB TYR B1095 3.559 1.005 -3.038 1.00 19.12 C ATOM 3050 CG TYR B1095 2.844 0.037 -2.069 1.00 17.76 C ATOM 3051 CD1 TYR B1095 3.514 -0.609 -1.029 1.00 21.33 C ATOM 3052 CD2 TYR B1095 1.447 -0.157 -2.226 1.00 22.93 C ATOM 3053 CE1 TYR B1095 2.828 -1.465 -0.148 1.00 21.35 C ATOM 3054 CE2 TYR B1095 0.767 -0.947 -1.333 1.00 24.61 C ATOM 3055 CZ TYR B1095 1.424 -1.602 -0.300 1.00 27.38 C ATOM 3056 OH TYR B1095 0.809 -2.440 0.604 1.00 25.46 O ATOM 0 H TYR B1095 5.007 2.343 -4.543 1.00 21.63 H new ATOM 0 HA TYR B1095 5.543 0.395 -2.455 1.00 21.22 H new ATOM 0 HB2 TYR B1095 3.594 1.999 -2.592 1.00 19.12 H new ATOM 0 HB3 TYR B1095 2.979 1.088 -3.957 1.00 19.12 H new ATOM 0 HD1 TYR B1095 4.574 -0.450 -0.899 1.00 21.33 H new ATOM 0 HD2 TYR B1095 0.922 0.314 -3.044 1.00 22.93 H new ATOM 0 HE1 TYR B1095 3.357 -2.004 0.624 1.00 21.35 H new ATOM 0 HE2 TYR B1095 -0.302 -1.062 -1.436 1.00 24.61 H new ATOM 0 HH TYR B1095 -0.162 -2.313 0.560 1.00 25.46 H new ATOM 3066 N HIS B1096 4.583 -0.620 -5.540 1.00 16.59 N ATOM 3067 CA HIS B1096 4.546 -1.890 -6.356 1.00 21.16 C ATOM 3068 C HIS B1096 5.981 -2.544 -6.301 1.00 29.23 C ATOM 3069 O HIS B1096 6.027 -3.778 -6.140 1.00 24.37 O ATOM 3070 CB HIS B1096 4.281 -1.423 -7.745 1.00 25.48 C ATOM 3071 CG HIS B1096 4.204 -2.537 -8.755 1.00 41.49 C ATOM 3072 ND1 HIS B1096 4.758 -2.741 -9.952 1.00 51.51 N flip ATOM 3073 CD2 HIS B1096 3.381 -3.605 -8.555 1.00 48.62 C flip ATOM 3074 CE1 HIS B1096 4.252 -3.943 -10.440 1.00 38.49 C flip ATOM 3075 NE2 HIS B1096 3.438 -4.464 -9.573 1.00 37.02 N flip ATOM 0 H HIS B1096 4.347 0.241 -6.034 1.00 16.59 H new ATOM 0 HA HIS B1096 3.808 -2.612 -6.007 1.00 21.16 H new ATOM 0 HB2 HIS B1096 3.344 -0.867 -7.759 1.00 25.48 H new ATOM 0 HB3 HIS B1096 5.068 -0.729 -8.042 1.00 25.48 H new ATOM 0 HD2 HIS B1096 2.760 -3.739 -7.681 1.00 48.62 H new ATOM 0 HE1 HIS B1096 4.500 -4.377 -11.397 1.00 38.49 H new ATOM 0 HE2 HIS B1096 2.942 -5.352 -9.654 1.00 37.02 H new ATOM 3083 N VAL B1097 7.040 -1.752 -6.509 1.00 22.94 N ATOM 3084 CA VAL B1097 8.368 -2.321 -6.314 1.00 23.19 C ATOM 3085 C VAL B1097 8.551 -2.948 -4.949 1.00 21.69 C ATOM 3086 O VAL B1097 9.065 -4.090 -4.773 1.00 24.78 O ATOM 3087 CB VAL B1097 9.498 -1.250 -6.654 1.00 23.00 C ATOM 3088 CG1 VAL B1097 10.878 -1.886 -6.279 1.00 22.58 C ATOM 3089 CG2 VAL B1097 9.408 -0.895 -8.137 1.00 18.00 C ATOM 0 H VAL B1097 7.007 -0.774 -6.795 1.00 22.94 H new ATOM 0 HA VAL B1097 8.471 -3.145 -7.020 1.00 23.19 H new ATOM 0 HB VAL B1097 9.374 -0.326 -6.089 1.00 23.00 H new ATOM 0 HG11 VAL B1097 11.677 -1.178 -6.499 1.00 22.58 H new ATOM 0 HG12 VAL B1097 10.890 -2.128 -5.216 1.00 22.58 H new ATOM 0 HG13 VAL B1097 11.029 -2.796 -6.860 1.00 22.58 H new ATOM 0 HG21 VAL B1097 10.177 -0.162 -8.383 1.00 18.00 H new ATOM 0 HG22 VAL B1097 9.558 -1.793 -8.736 1.00 18.00 H new ATOM 0 HG23 VAL B1097 8.425 -0.476 -8.352 1.00 18.00 H new ATOM 3099 N PHE B1098 8.186 -2.193 -3.884 1.00 18.69 N ATOM 3100 CA PHE B1098 8.408 -2.649 -2.534 1.00 20.52 C ATOM 3101 C PHE B1098 7.723 -3.969 -2.221 1.00 29.26 C ATOM 3102 O PHE B1098 8.279 -4.876 -1.592 1.00 25.51 O ATOM 3103 CB PHE B1098 7.930 -1.526 -1.562 1.00 24.34 C ATOM 3104 CG PHE B1098 8.149 -1.773 -0.109 1.00 22.86 C ATOM 3105 CD1 PHE B1098 9.392 -1.617 0.541 1.00 24.04 C ATOM 3106 CD2 PHE B1098 7.125 -2.276 0.683 1.00 22.27 C ATOM 3107 CE1 PHE B1098 9.548 -1.891 1.889 1.00 28.58 C ATOM 3108 CE2 PHE B1098 7.199 -2.512 2.018 1.00 25.35 C ATOM 3109 CZ PHE B1098 8.420 -2.355 2.645 1.00 27.60 C ATOM 0 H PHE B1098 7.742 -1.277 -3.956 1.00 18.69 H new ATOM 0 HA PHE B1098 9.473 -2.845 -2.409 1.00 20.52 H new ATOM 0 HB2 PHE B1098 8.439 -0.600 -1.832 1.00 24.34 H new ATOM 0 HB3 PHE B1098 6.865 -1.363 -1.725 1.00 24.34 H new ATOM 0 HD1 PHE B1098 10.244 -1.275 -0.028 1.00 24.04 H new ATOM 0 HD2 PHE B1098 6.188 -2.499 0.194 1.00 22.27 H new ATOM 0 HE1 PHE B1098 10.508 -1.757 2.366 1.00 28.58 H new ATOM 0 HE2 PHE B1098 6.325 -2.815 2.576 1.00 25.35 H new ATOM 0 HZ PHE B1098 8.525 -2.580 3.696 1.00 27.60 H new ATOM 3119 N ARG B1099 6.441 -4.098 -2.687 1.00 25.71 N ATOM 3120 CA ARG B1099 5.717 -5.292 -2.523 1.00 28.32 C ATOM 3121 C ARG B1099 6.403 -6.423 -3.329 1.00 28.70 C ATOM 3122 O ARG B1099 6.487 -7.481 -2.665 1.00 35.65 O ATOM 3123 CB ARG B1099 4.253 -5.245 -3.058 1.00 20.61 C ATOM 3124 CG ARG B1099 3.384 -4.532 -1.904 1.00 22.87 C ATOM 3125 CD ARG B1099 1.950 -4.598 -2.409 1.00 31.66 C ATOM 3126 NE ARG B1099 1.493 -6.000 -2.038 1.00 35.20 N ATOM 3127 CZ ARG B1099 1.221 -6.454 -0.834 1.00 39.22 C ATOM 3128 NH1 ARG B1099 1.282 -5.792 0.352 1.00 38.44 N ATOM 3129 NH2 ARG B1099 0.842 -7.749 -0.796 1.00 38.00 N ATOM 0 H ARG B1099 5.933 -3.359 -3.173 1.00 25.71 H new ATOM 0 HA ARG B1099 5.696 -5.456 -1.446 1.00 28.32 H new ATOM 0 HB2 ARG B1099 4.196 -4.686 -3.992 1.00 20.61 H new ATOM 0 HB3 ARG B1099 3.880 -6.248 -3.264 1.00 20.61 H new ATOM 0 HG2 ARG B1099 3.493 -5.048 -0.950 1.00 22.87 H new ATOM 0 HG3 ARG B1099 3.702 -3.501 -1.747 1.00 22.87 H new ATOM 0 HD2 ARG B1099 1.326 -3.838 -1.939 1.00 31.66 H new ATOM 0 HD3 ARG B1099 1.898 -4.433 -3.485 1.00 31.66 H new ATOM 0 HE ARG B1099 1.386 -6.661 -2.807 1.00 35.20 H new ATOM 0 HH11 ARG B1099 1.569 -4.814 0.376 1.00 38.44 H new ATOM 0 HH12 ARG B1099 1.040 -6.274 1.218 1.00 38.44 H new ATOM 0 HH21 ARG B1099 0.786 -8.290 -1.659 1.00 38.00 H new ATOM 0 HH22 ARG B1099 0.611 -8.187 0.096 1.00 38.00 H new ATOM 3142 N ARG B1100 6.845 -6.163 -4.519 1.00 24.38 N ATOM 3143 CA ARG B1100 7.479 -7.256 -5.336 1.00 27.33 C ATOM 3144 C ARG B1100 8.758 -7.725 -4.669 1.00 34.21 C ATOM 3145 O ARG B1100 8.954 -8.947 -4.476 1.00 33.55 O ATOM 3146 CB ARG B1100 7.683 -6.876 -6.793 1.00 30.68 C ATOM 3147 CG ARG B1100 6.382 -6.925 -7.635 1.00 36.41 C ATOM 3148 CD ARG B1100 6.804 -6.803 -9.064 1.00 60.81 C ATOM 3149 NE ARG B1100 6.748 -5.464 -9.662 1.00 63.57 N ATOM 3150 CZ ARG B1100 7.425 -5.105 -10.757 1.00 78.54 C ATOM 3151 NH1 ARG B1100 8.288 -5.877 -11.394 1.00 76.64 N ATOM 3152 NH2 ARG B1100 7.218 -3.892 -11.208 1.00 86.15 N ATOM 0 H ARG B1100 6.801 -5.250 -4.971 1.00 24.38 H new ATOM 0 HA ARG B1100 6.781 -8.093 -5.366 1.00 27.33 H new ATOM 0 HB2 ARG B1100 8.100 -5.870 -6.843 1.00 30.68 H new ATOM 0 HB3 ARG B1100 8.418 -7.548 -7.236 1.00 30.68 H new ATOM 0 HG2 ARG B1100 5.844 -7.858 -7.466 1.00 36.41 H new ATOM 0 HG3 ARG B1100 5.708 -6.114 -7.358 1.00 36.41 H new ATOM 0 HD2 ARG B1100 7.827 -7.169 -9.148 1.00 60.81 H new ATOM 0 HD3 ARG B1100 6.178 -7.467 -9.660 1.00 60.81 H new ATOM 0 HE ARG B1100 6.156 -4.764 -9.214 1.00 63.57 H new ATOM 0 HH11 ARG B1100 8.476 -6.820 -11.054 1.00 76.64 H new ATOM 0 HH12 ARG B1100 8.766 -5.530 -12.225 1.00 76.64 H new ATOM 0 HH21 ARG B1100 6.566 -3.273 -10.726 1.00 86.15 H new ATOM 0 HH22 ARG B1100 7.709 -3.567 -12.041 1.00 86.15 H new ATOM 3165 N ILE B1101 9.549 -6.817 -4.130 1.00 35.00 N ATOM 3166 CA ILE B1101 10.789 -7.154 -3.409 1.00 39.17 C ATOM 3167 C ILE B1101 10.478 -7.943 -2.146 1.00 44.12 C ATOM 3168 O ILE B1101 11.356 -8.617 -1.615 1.00 41.39 O ATOM 3169 CB ILE B1101 11.645 -5.929 -3.016 1.00 38.31 C ATOM 3170 CG1 ILE B1101 12.165 -5.187 -4.236 1.00 34.51 C ATOM 3171 CG2 ILE B1101 12.716 -6.254 -1.997 1.00 39.08 C ATOM 3172 CD1 ILE B1101 12.625 -3.777 -3.685 1.00 32.67 C ATOM 0 H ILE B1101 9.360 -5.816 -4.173 1.00 35.00 H new ATOM 0 HA ILE B1101 11.371 -7.749 -4.113 1.00 39.17 H new ATOM 0 HB ILE B1101 10.981 -5.234 -2.502 1.00 38.31 H new ATOM 0 HG12 ILE B1101 12.995 -5.720 -4.700 1.00 34.51 H new ATOM 0 HG13 ILE B1101 11.390 -5.082 -4.995 1.00 34.51 H new ATOM 0 HG21 ILE B1101 13.282 -5.352 -1.763 1.00 39.08 H new ATOM 0 HG22 ILE B1101 12.250 -6.635 -1.088 1.00 39.08 H new ATOM 0 HG23 ILE B1101 13.389 -7.009 -2.404 1.00 39.08 H new ATOM 0 HD11 ILE B1101 13.016 -3.175 -4.506 1.00 32.67 H new ATOM 0 HD12 ILE B1101 11.774 -3.267 -3.235 1.00 32.67 H new ATOM 0 HD13 ILE B1101 13.403 -3.916 -2.935 1.00 32.67 H new ATOM 3184 N SER B1102 9.308 -7.747 -1.544 1.00 34.67 N ATOM 3185 CA SER B1102 8.951 -8.293 -0.281 1.00 37.80 C ATOM 3186 C SER B1102 8.477 -9.751 -0.405 1.00 45.24 C ATOM 3187 O SER B1102 7.965 -10.192 -1.480 1.00 42.81 O ATOM 3188 CB SER B1102 7.854 -7.502 0.450 1.00 41.63 C ATOM 3189 OG SER B1102 8.276 -6.264 0.902 1.00 40.15 O ATOM 3190 OXT SER B1102 8.621 -10.354 0.703 1.00 41.20 O ATOM 0 H SER B1102 8.569 -7.178 -1.956 1.00 34.67 H new ATOM 0 HA SER B1102 9.868 -8.234 0.306 1.00 37.80 H new ATOM 0 HB2 SER B1102 7.006 -7.365 -0.222 1.00 41.63 H new ATOM 0 HB3 SER B1102 7.498 -8.088 1.298 1.00 41.63 H new ATOM 0 HG SER B1102 8.335 -5.643 0.146 1.00 40.15 H new