USER MOD reduce.3.24.130724 H: found=0, std=0, add=1135, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 1132 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: A1014 GLN :FLIP amide:sc= -2.39 F(o=-3.4,f=-2.2) USER MOD Set 1.2: A1018 LYS NZ :NH3+ -160:sc= 0.17 (180deg=-0.518) USER MOD Set 2.1: A1008 TYR OH : rot 165:sc= 0.32 USER MOD Set 2.2: A1017 TYR OH : rot -91:sc= 0.678! USER MOD Set 3.1: A 956 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.2: A1002 MET CE :methyl -167:sc= -0.49 (180deg=-1.13) USER MOD Set 4.1: A 940 SER OG : rot 160:sc= 0 USER MOD Set 4.2: A1021 MET CE :methyl 141:sc= -2.99! (180deg=-8.4!) USER MOD Single : A 915 MET CE :methyl -148:sc= -0.354 (180deg=-1.24) USER MOD Single : A 917 ASN : amide:sc= -0.101 K(o=-0.1,f=-1.8!) USER MOD Single : A 921 SER OG : rot 80:sc= -1.74 USER MOD Single : A 922 ASN : amide:sc= -0.2 K(o=-0.2,f=-2.8!) USER MOD Single : A 924 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 926 TYR OH : rot 180:sc= 0 USER MOD Single : A 928 ASN : amide:sc= -7.35! C(o=-7.4!,f=-18!) USER MOD Single : A 930 THR OG1 : rot -56:sc= 0.0306 USER MOD Single : A 934 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 939 MET CE :methyl 149:sc= -0.449 (180deg=-2.21!) USER MOD Single : A 941 SER OG : rot 180:sc= 0 USER MOD Single : A 942 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 944 GLN : amide:sc= -0.285 X(o=-0.28,f=-0.023) USER MOD Single : A 951 TYR OH : rot 34:sc= 0.1 USER MOD Single : A 954 MET CE :methyl -139:sc= -4.64! (180deg=-9.34!) USER MOD Single : A 964 THR OG1 : rot 180:sc= 0 USER MOD Single : A 968 THR OG1 : rot 93:sc= 0.881 USER MOD Single : A 972 SER OG : rot 180:sc= 0 USER MOD Single : A 979 SER OG : rot 180:sc= 0 USER MOD Single : A 980 THR OG1 : rot -82:sc= -0.95 USER MOD Single : A 981 HIS :FLIP no HD1:sc= -1.88 F(o=-2.4!,f=-1.9) USER MOD Single : A 986 MET CE :methyl -152:sc= -2.27! (180deg=-4.18!) USER MOD Single : A 988 GLN : amide:sc= -0.15 K(o=-0.15,f=-2.8!) USER MOD Single : A 989 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 992 ASN : amide:sc= -0.952 K(o=-0.95,f=-3!) USER MOD Single : A 993 SER OG : rot 180:sc= 0 USER MOD Single : A1000 ASN : amide:sc=-0.00833 K(o=-0.0083,f=-0.72) USER MOD Single : A1001 LYS NZ :NH3+ -144:sc= -0.0103 (180deg=-0.332) USER MOD Single : A1003 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A1006 GLN : amide:sc= -9.06! C(o=-9.1!,f=-16!) USER MOD Single : A1007 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A1010 MET CE :methyl 143:sc= -0.236 (180deg=-2.19) USER MOD Single : A1011 THR OG1 : rot -144:sc= 0.519 USER MOD Single : A1012 SER OG : rot 180:sc= 0 USER MOD Single : A1015 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A1019 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A1020 GLN : amide:sc= -0.211 X(o=-0.21,f=-0.21) USER MOD Single : A1023 THR OG1 : rot 180:sc= 0.0609 USER MOD Single : A1026 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A1033 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A1034 ASN : amide:sc= -0.251 K(o=-0.25,f=-2.9!) USER MOD Single : A1041 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A1045 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A1046 MET CE :methyl 132:sc= -3.71 (180deg=-5.35!) USER MOD Single : A1048 SER OG : rot 180:sc= 0 USER MOD Single : A1049 GLN : amide:sc= -0.0138 X(o=-0.014,f=-0.0079) USER MOD Single : A1050 SER OG : rot 180:sc= 0 USER MOD Single : A1053 HIS : no HD1:sc= -0.385 X(o=-0.38,f=-0.15) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 915 2.243 -22.988 -8.539 1.00 0.00 N ATOM 2 CA MET A 915 1.063 -22.412 -7.917 1.00 0.00 C ATOM 3 C MET A 915 0.412 -21.374 -8.833 1.00 0.00 C ATOM 4 O MET A 915 0.898 -21.119 -9.933 1.00 0.00 O ATOM 5 CB MET A 915 1.456 -21.751 -6.594 1.00 0.00 C ATOM 6 CG MET A 915 2.465 -20.623 -6.822 1.00 0.00 C ATOM 7 SD MET A 915 4.113 -21.296 -6.953 1.00 0.00 S ATOM 8 CE MET A 915 4.486 -20.875 -8.647 1.00 0.00 C ATOM 0 HA MET A 915 0.344 -23.210 -7.736 1.00 0.00 H new ATOM 0 HB2 MET A 915 0.567 -21.355 -6.103 1.00 0.00 H new ATOM 0 HB3 MET A 915 1.884 -22.497 -5.924 1.00 0.00 H new ATOM 0 HG2 MET A 915 2.213 -20.077 -7.731 1.00 0.00 H new ATOM 0 HG3 MET A 915 2.419 -19.910 -5.999 1.00 0.00 H new ATOM 0 HE1 MET A 915 5.139 -21.635 -9.075 1.00 0.00 H new ATOM 0 HE2 MET A 915 3.561 -20.826 -9.222 1.00 0.00 H new ATOM 0 HE3 MET A 915 4.986 -19.907 -8.680 1.00 0.00 H new ATOM 18 N ALA A 916 -0.680 -20.803 -8.344 1.00 0.00 N ATOM 19 CA ALA A 916 -1.403 -19.798 -9.105 1.00 0.00 C ATOM 20 C ALA A 916 -0.406 -18.814 -9.719 1.00 0.00 C ATOM 21 O ALA A 916 0.726 -18.698 -9.252 1.00 0.00 O ATOM 22 CB ALA A 916 -2.422 -19.106 -8.198 1.00 0.00 C ATOM 0 H ALA A 916 -1.081 -21.017 -7.431 1.00 0.00 H new ATOM 0 HA ALA A 916 -1.956 -20.260 -9.923 1.00 0.00 H new ATOM 0 HB1 ALA A 916 -2.964 -18.352 -8.769 1.00 0.00 H new ATOM 0 HB2 ALA A 916 -3.125 -19.844 -7.811 1.00 0.00 H new ATOM 0 HB3 ALA A 916 -1.904 -18.628 -7.367 1.00 0.00 H new ATOM 28 N ASN A 917 -0.862 -18.130 -10.758 1.00 0.00 N ATOM 29 CA ASN A 917 -0.024 -17.159 -11.441 1.00 0.00 C ATOM 30 C ASN A 917 0.781 -16.369 -10.407 1.00 0.00 C ATOM 31 O ASN A 917 0.231 -15.529 -9.697 1.00 0.00 O ATOM 32 CB ASN A 917 -0.871 -16.166 -12.240 1.00 0.00 C ATOM 33 CG ASN A 917 -1.319 -16.773 -13.571 1.00 0.00 C ATOM 34 OD1 ASN A 917 -0.788 -17.766 -14.040 1.00 0.00 O ATOM 35 ND2 ASN A 917 -2.323 -16.122 -14.152 1.00 0.00 N ATOM 0 H ASN A 917 -1.801 -18.229 -11.144 1.00 0.00 H new ATOM 0 HA ASN A 917 0.634 -17.700 -12.121 1.00 0.00 H new ATOM 0 HB2 ASN A 917 -1.745 -15.876 -11.656 1.00 0.00 H new ATOM 0 HB3 ASN A 917 -0.296 -15.259 -12.425 1.00 0.00 H new ATOM 0 HD21 ASN A 917 -2.694 -16.448 -15.045 1.00 0.00 H new ATOM 0 HD22 ASN A 917 -2.722 -15.297 -13.705 1.00 0.00 H new ATOM 42 N LEU A 918 2.071 -16.667 -10.356 1.00 0.00 N ATOM 43 CA LEU A 918 2.957 -15.996 -9.420 1.00 0.00 C ATOM 44 C LEU A 918 3.937 -15.113 -10.196 1.00 0.00 C ATOM 45 O LEU A 918 5.150 -15.298 -10.106 1.00 0.00 O ATOM 46 CB LEU A 918 3.639 -17.014 -8.504 1.00 0.00 C ATOM 47 CG LEU A 918 3.694 -16.648 -7.019 1.00 0.00 C ATOM 48 CD1 LEU A 918 4.088 -17.859 -6.171 1.00 0.00 C ATOM 49 CD2 LEU A 918 4.622 -15.455 -6.782 1.00 0.00 C ATOM 0 H LEU A 918 2.524 -17.364 -10.947 1.00 0.00 H new ATOM 0 HA LEU A 918 2.389 -15.340 -8.761 1.00 0.00 H new ATOM 0 HB2 LEU A 918 3.121 -17.968 -8.604 1.00 0.00 H new ATOM 0 HB3 LEU A 918 4.658 -17.167 -8.858 1.00 0.00 H new ATOM 0 HG LEU A 918 2.695 -16.345 -6.704 1.00 0.00 H new ATOM 0 HD11 LEU A 918 4.120 -17.572 -5.120 1.00 0.00 H new ATOM 0 HD12 LEU A 918 3.354 -18.653 -6.308 1.00 0.00 H new ATOM 0 HD13 LEU A 918 5.071 -18.215 -6.480 1.00 0.00 H new ATOM 0 HD21 LEU A 918 4.643 -15.216 -5.719 1.00 0.00 H new ATOM 0 HD22 LEU A 918 5.629 -15.705 -7.118 1.00 0.00 H new ATOM 0 HD23 LEU A 918 4.257 -14.593 -7.341 1.00 0.00 H new ATOM 61 N ASP A 919 3.374 -14.174 -10.942 1.00 0.00 N ATOM 62 CA ASP A 919 4.183 -13.262 -11.733 1.00 0.00 C ATOM 63 C ASP A 919 5.170 -12.536 -10.817 1.00 0.00 C ATOM 64 O ASP A 919 5.245 -12.827 -9.624 1.00 0.00 O ATOM 65 CB ASP A 919 3.312 -12.208 -12.420 1.00 0.00 C ATOM 66 CG ASP A 919 2.849 -12.573 -13.832 1.00 0.00 C ATOM 67 OD1 ASP A 919 1.856 -13.327 -13.926 1.00 0.00 O ATOM 68 OD2 ASP A 919 3.498 -12.090 -14.785 1.00 0.00 O ATOM 0 H ASP A 919 2.368 -14.025 -11.015 1.00 0.00 H new ATOM 0 HA ASP A 919 4.707 -13.846 -12.490 1.00 0.00 H new ATOM 0 HB2 ASP A 919 2.433 -12.025 -11.802 1.00 0.00 H new ATOM 0 HB3 ASP A 919 3.869 -11.272 -12.467 1.00 0.00 H new ATOM 73 N ARG A 920 5.902 -11.604 -11.409 1.00 0.00 N ATOM 74 CA ARG A 920 6.881 -10.833 -10.661 1.00 0.00 C ATOM 75 C ARG A 920 6.227 -9.591 -10.054 1.00 0.00 C ATOM 76 O ARG A 920 6.829 -8.518 -10.027 1.00 0.00 O ATOM 77 CB ARG A 920 8.044 -10.403 -11.556 1.00 0.00 C ATOM 78 CG ARG A 920 9.164 -11.445 -11.538 1.00 0.00 C ATOM 79 CD ARG A 920 10.506 -10.802 -11.183 1.00 0.00 C ATOM 80 NE ARG A 920 11.571 -11.331 -12.065 1.00 0.00 N ATOM 81 CZ ARG A 920 12.875 -10.999 -11.959 1.00 0.00 C ATOM 82 NH1 ARG A 920 13.288 -10.136 -11.007 1.00 0.00 N ATOM 83 NH2 ARG A 920 13.741 -11.532 -12.801 1.00 0.00 N ATOM 0 H ARG A 920 5.837 -11.365 -12.398 1.00 0.00 H new ATOM 0 HA ARG A 920 7.267 -11.470 -9.865 1.00 0.00 H new ATOM 0 HB2 ARG A 920 7.689 -10.263 -12.577 1.00 0.00 H new ATOM 0 HB3 ARG A 920 8.431 -9.442 -11.218 1.00 0.00 H new ATOM 0 HG2 ARG A 920 8.928 -12.225 -10.814 1.00 0.00 H new ATOM 0 HG3 ARG A 920 9.234 -11.926 -12.514 1.00 0.00 H new ATOM 0 HD2 ARG A 920 10.439 -9.719 -11.289 1.00 0.00 H new ATOM 0 HD3 ARG A 920 10.751 -11.005 -10.141 1.00 0.00 H new ATOM 0 HE ARG A 920 11.303 -11.987 -12.798 1.00 0.00 H new ATOM 0 HH11 ARG A 920 12.613 -9.729 -10.360 1.00 0.00 H new ATOM 0 HH12 ARG A 920 14.275 -9.891 -10.934 1.00 0.00 H new ATOM 0 HH21 ARG A 920 13.421 -12.184 -13.517 1.00 0.00 H new ATOM 0 HH22 ARG A 920 14.730 -11.292 -12.735 1.00 0.00 H new ATOM 96 N SER A 921 5.002 -9.776 -9.582 1.00 0.00 N ATOM 97 CA SER A 921 4.260 -8.683 -8.977 1.00 0.00 C ATOM 98 C SER A 921 4.612 -8.570 -7.493 1.00 0.00 C ATOM 99 O SER A 921 4.340 -7.549 -6.862 1.00 0.00 O ATOM 100 CB SER A 921 2.753 -8.877 -9.152 1.00 0.00 C ATOM 101 OG SER A 921 2.047 -7.640 -9.119 1.00 0.00 O ATOM 0 H SER A 921 4.505 -10.667 -9.607 1.00 0.00 H new ATOM 0 HA SER A 921 4.541 -7.759 -9.482 1.00 0.00 H new ATOM 0 HB2 SER A 921 2.560 -9.379 -10.100 1.00 0.00 H new ATOM 0 HB3 SER A 921 2.378 -9.529 -8.364 1.00 0.00 H new ATOM 0 HG SER A 921 2.119 -7.199 -9.991 1.00 0.00 H new ATOM 107 N ASN A 922 5.211 -9.633 -6.977 1.00 0.00 N ATOM 108 CA ASN A 922 5.603 -9.666 -5.578 1.00 0.00 C ATOM 109 C ASN A 922 6.538 -8.490 -5.287 1.00 0.00 C ATOM 110 O ASN A 922 6.347 -7.768 -4.309 1.00 0.00 O ATOM 111 CB ASN A 922 6.352 -10.958 -5.246 1.00 0.00 C ATOM 112 CG ASN A 922 5.966 -11.474 -3.858 1.00 0.00 C ATOM 113 OD1 ASN A 922 5.028 -11.008 -3.233 1.00 0.00 O ATOM 114 ND2 ASN A 922 6.740 -12.460 -3.413 1.00 0.00 N ATOM 0 H ASN A 922 5.435 -10.478 -7.503 1.00 0.00 H new ATOM 0 HA ASN A 922 4.698 -9.608 -4.973 1.00 0.00 H new ATOM 0 HB2 ASN A 922 6.126 -11.716 -5.996 1.00 0.00 H new ATOM 0 HB3 ASN A 922 7.427 -10.780 -5.286 1.00 0.00 H new ATOM 0 HD21 ASN A 922 6.564 -12.873 -2.497 1.00 0.00 H new ATOM 0 HD22 ASN A 922 7.509 -12.803 -3.988 1.00 0.00 H new ATOM 121 N ASP A 923 7.528 -8.334 -6.153 1.00 0.00 N ATOM 122 CA ASP A 923 8.492 -7.258 -6.001 1.00 0.00 C ATOM 123 C ASP A 923 7.863 -5.944 -6.471 1.00 0.00 C ATOM 124 O ASP A 923 8.069 -4.899 -5.856 1.00 0.00 O ATOM 125 CB ASP A 923 9.741 -7.513 -6.847 1.00 0.00 C ATOM 126 CG ASP A 923 10.890 -8.205 -6.112 1.00 0.00 C ATOM 127 OD1 ASP A 923 10.584 -8.971 -5.173 1.00 0.00 O ATOM 128 OD2 ASP A 923 12.049 -7.953 -6.506 1.00 0.00 O ATOM 0 H ASP A 923 7.683 -8.935 -6.962 1.00 0.00 H new ATOM 0 HA ASP A 923 8.773 -7.205 -4.949 1.00 0.00 H new ATOM 0 HB2 ASP A 923 9.461 -8.122 -7.707 1.00 0.00 H new ATOM 0 HB3 ASP A 923 10.100 -6.559 -7.235 1.00 0.00 H new ATOM 133 N LYS A 924 7.109 -6.041 -7.556 1.00 0.00 N ATOM 134 CA LYS A 924 6.449 -4.874 -8.115 1.00 0.00 C ATOM 135 C LYS A 924 5.592 -4.212 -7.035 1.00 0.00 C ATOM 136 O LYS A 924 5.929 -3.136 -6.543 1.00 0.00 O ATOM 137 CB LYS A 924 5.667 -5.253 -9.374 1.00 0.00 C ATOM 138 CG LYS A 924 5.722 -4.131 -10.413 1.00 0.00 C ATOM 139 CD LYS A 924 5.469 -4.673 -11.820 1.00 0.00 C ATOM 140 CE LYS A 924 5.596 -3.564 -12.867 1.00 0.00 C ATOM 141 NZ LYS A 924 6.216 -4.088 -14.104 1.00 0.00 N ATOM 0 H LYS A 924 6.941 -6.910 -8.063 1.00 0.00 H new ATOM 0 HA LYS A 924 7.185 -4.136 -8.435 1.00 0.00 H new ATOM 0 HB2 LYS A 924 6.078 -6.168 -9.800 1.00 0.00 H new ATOM 0 HB3 LYS A 924 4.629 -5.461 -9.113 1.00 0.00 H new ATOM 0 HG2 LYS A 924 4.978 -3.372 -10.173 1.00 0.00 H new ATOM 0 HG3 LYS A 924 6.697 -3.645 -10.377 1.00 0.00 H new ATOM 0 HD2 LYS A 924 6.181 -5.469 -12.040 1.00 0.00 H new ATOM 0 HD3 LYS A 924 4.473 -5.113 -11.870 1.00 0.00 H new ATOM 0 HE2 LYS A 924 4.612 -3.154 -13.092 1.00 0.00 H new ATOM 0 HE3 LYS A 924 6.198 -2.747 -12.469 1.00 0.00 H new ATOM 0 HZ1 LYS A 924 6.295 -3.323 -14.804 1.00 0.00 H new ATOM 0 HZ2 LYS A 924 7.163 -4.458 -13.888 1.00 0.00 H new ATOM 0 HZ3 LYS A 924 5.626 -4.852 -14.491 1.00 0.00 H new ATOM 155 N VAL A 925 4.500 -4.882 -6.697 1.00 0.00 N ATOM 156 CA VAL A 925 3.593 -4.372 -5.683 1.00 0.00 C ATOM 157 C VAL A 925 4.403 -3.857 -4.492 1.00 0.00 C ATOM 158 O VAL A 925 4.231 -2.715 -4.067 1.00 0.00 O ATOM 159 CB VAL A 925 2.580 -5.452 -5.296 1.00 0.00 C ATOM 160 CG1 VAL A 925 1.691 -4.982 -4.143 1.00 0.00 C ATOM 161 CG2 VAL A 925 1.738 -5.871 -6.502 1.00 0.00 C ATOM 0 H VAL A 925 4.223 -5.774 -7.107 1.00 0.00 H new ATOM 0 HA VAL A 925 3.019 -3.531 -6.072 1.00 0.00 H new ATOM 0 HB VAL A 925 3.136 -6.326 -4.956 1.00 0.00 H new ATOM 0 HG11 VAL A 925 0.980 -5.768 -3.888 1.00 0.00 H new ATOM 0 HG12 VAL A 925 2.310 -4.757 -3.275 1.00 0.00 H new ATOM 0 HG13 VAL A 925 1.148 -4.086 -4.444 1.00 0.00 H new ATOM 0 HG21 VAL A 925 1.026 -6.639 -6.200 1.00 0.00 H new ATOM 0 HG22 VAL A 925 1.197 -5.006 -6.886 1.00 0.00 H new ATOM 0 HG23 VAL A 925 2.390 -6.267 -7.281 1.00 0.00 H new ATOM 171 N TYR A 926 5.267 -4.724 -3.986 1.00 0.00 N ATOM 172 CA TYR A 926 6.104 -4.371 -2.852 1.00 0.00 C ATOM 173 C TYR A 926 6.868 -3.072 -3.117 1.00 0.00 C ATOM 174 O TYR A 926 6.858 -2.162 -2.290 1.00 0.00 O ATOM 175 CB TYR A 926 7.107 -5.516 -2.696 1.00 0.00 C ATOM 176 CG TYR A 926 6.608 -6.666 -1.819 1.00 0.00 C ATOM 177 CD1 TYR A 926 5.344 -7.184 -2.015 1.00 0.00 C ATOM 178 CD2 TYR A 926 7.421 -7.185 -0.832 1.00 0.00 C ATOM 179 CE1 TYR A 926 4.873 -8.267 -1.190 1.00 0.00 C ATOM 180 CE2 TYR A 926 6.950 -8.267 -0.007 1.00 0.00 C ATOM 181 CZ TYR A 926 5.700 -8.755 -0.227 1.00 0.00 C ATOM 182 OH TYR A 926 5.255 -9.777 0.552 1.00 0.00 O ATOM 0 H TYR A 926 5.406 -5.670 -4.340 1.00 0.00 H new ATOM 0 HA TYR A 926 5.497 -4.222 -1.959 1.00 0.00 H new ATOM 0 HB2 TYR A 926 7.353 -5.906 -3.683 1.00 0.00 H new ATOM 0 HB3 TYR A 926 8.029 -5.122 -2.270 1.00 0.00 H new ATOM 0 HD1 TYR A 926 4.708 -6.777 -2.787 1.00 0.00 H new ATOM 0 HD2 TYR A 926 8.410 -6.780 -0.678 1.00 0.00 H new ATOM 0 HE1 TYR A 926 3.886 -8.682 -1.333 1.00 0.00 H new ATOM 0 HE2 TYR A 926 7.576 -8.682 0.769 1.00 0.00 H new ATOM 0 HH TYR A 926 5.951 -10.024 1.196 1.00 0.00 H new ATOM 192 N GLU A 927 7.513 -3.028 -4.274 1.00 0.00 N ATOM 193 CA GLU A 927 8.281 -1.856 -4.658 1.00 0.00 C ATOM 194 C GLU A 927 7.352 -0.657 -4.862 1.00 0.00 C ATOM 195 O GLU A 927 7.453 0.339 -4.146 1.00 0.00 O ATOM 196 CB GLU A 927 9.106 -2.130 -5.917 1.00 0.00 C ATOM 197 CG GLU A 927 10.477 -2.708 -5.559 1.00 0.00 C ATOM 198 CD GLU A 927 10.585 -4.171 -5.991 1.00 0.00 C ATOM 199 OE1 GLU A 927 10.633 -4.398 -7.220 1.00 0.00 O ATOM 200 OE2 GLU A 927 10.617 -5.030 -5.084 1.00 0.00 O ATOM 0 H GLU A 927 7.519 -3.785 -4.958 1.00 0.00 H new ATOM 0 HA GLU A 927 8.976 -1.620 -3.852 1.00 0.00 H new ATOM 0 HB2 GLU A 927 8.571 -2.827 -6.562 1.00 0.00 H new ATOM 0 HB3 GLU A 927 9.233 -1.206 -6.481 1.00 0.00 H new ATOM 0 HG2 GLU A 927 11.260 -2.124 -6.043 1.00 0.00 H new ATOM 0 HG3 GLU A 927 10.639 -2.630 -4.484 1.00 0.00 H new ATOM 207 N ASN A 928 6.470 -0.791 -5.841 1.00 0.00 N ATOM 208 CA ASN A 928 5.524 0.269 -6.147 1.00 0.00 C ATOM 209 C ASN A 928 5.037 0.904 -4.843 1.00 0.00 C ATOM 210 O ASN A 928 4.892 2.122 -4.758 1.00 0.00 O ATOM 211 CB ASN A 928 4.305 -0.279 -6.891 1.00 0.00 C ATOM 212 CG ASN A 928 4.719 -0.955 -8.200 1.00 0.00 C ATOM 213 OD1 ASN A 928 4.676 -2.166 -8.344 1.00 0.00 O ATOM 214 ND2 ASN A 928 5.123 -0.108 -9.142 1.00 0.00 N ATOM 0 H ASN A 928 6.390 -1.618 -6.433 1.00 0.00 H new ATOM 0 HA ASN A 928 6.030 1.002 -6.775 1.00 0.00 H new ATOM 0 HB2 ASN A 928 3.780 -0.995 -6.258 1.00 0.00 H new ATOM 0 HB3 ASN A 928 3.608 0.532 -7.101 1.00 0.00 H new ATOM 0 HD21 ASN A 928 5.421 -0.461 -10.051 1.00 0.00 H new ATOM 0 HD22 ASN A 928 5.134 0.895 -8.955 1.00 0.00 H new ATOM 221 N VAL A 929 4.797 0.049 -3.860 1.00 0.00 N ATOM 222 CA VAL A 929 4.328 0.511 -2.564 1.00 0.00 C ATOM 223 C VAL A 929 5.345 1.494 -1.980 1.00 0.00 C ATOM 224 O VAL A 929 5.052 2.679 -1.828 1.00 0.00 O ATOM 225 CB VAL A 929 4.058 -0.684 -1.649 1.00 0.00 C ATOM 226 CG1 VAL A 929 4.290 -0.315 -0.182 1.00 0.00 C ATOM 227 CG2 VAL A 929 2.643 -1.228 -1.860 1.00 0.00 C ATOM 0 H VAL A 929 4.918 -0.961 -3.934 1.00 0.00 H new ATOM 0 HA VAL A 929 3.383 1.044 -2.667 1.00 0.00 H new ATOM 0 HB VAL A 929 4.763 -1.473 -1.912 1.00 0.00 H new ATOM 0 HG11 VAL A 929 4.091 -1.182 0.447 1.00 0.00 H new ATOM 0 HG12 VAL A 929 5.324 0.003 -0.046 1.00 0.00 H new ATOM 0 HG13 VAL A 929 3.621 0.498 0.099 1.00 0.00 H new ATOM 0 HG21 VAL A 929 2.477 -2.077 -1.197 1.00 0.00 H new ATOM 0 HG22 VAL A 929 1.916 -0.447 -1.638 1.00 0.00 H new ATOM 0 HG23 VAL A 929 2.527 -1.548 -2.896 1.00 0.00 H new ATOM 237 N THR A 930 6.519 0.966 -1.668 1.00 0.00 N ATOM 238 CA THR A 930 7.581 1.781 -1.104 1.00 0.00 C ATOM 239 C THR A 930 7.708 3.098 -1.874 1.00 0.00 C ATOM 240 O THR A 930 7.647 4.175 -1.283 1.00 0.00 O ATOM 241 CB THR A 930 8.866 0.951 -1.104 1.00 0.00 C ATOM 242 OG1 THR A 930 9.098 0.669 -2.481 1.00 0.00 O ATOM 243 CG2 THR A 930 8.672 -0.427 -0.469 1.00 0.00 C ATOM 0 H THR A 930 6.758 -0.017 -1.795 1.00 0.00 H new ATOM 0 HA THR A 930 7.359 2.062 -0.074 1.00 0.00 H new ATOM 0 HB THR A 930 9.647 1.491 -0.568 1.00 0.00 H new ATOM 0 HG1 THR A 930 8.311 0.227 -2.862 1.00 0.00 H new ATOM 0 HG21 THR A 930 9.614 -0.975 -0.494 1.00 0.00 H new ATOM 0 HG22 THR A 930 8.349 -0.309 0.565 1.00 0.00 H new ATOM 0 HG23 THR A 930 7.915 -0.980 -1.025 1.00 0.00 H new ATOM 251 N GLY A 931 7.883 2.967 -3.181 1.00 0.00 N ATOM 252 CA GLY A 931 8.020 4.133 -4.037 1.00 0.00 C ATOM 253 C GLY A 931 6.847 5.096 -3.843 1.00 0.00 C ATOM 254 O GLY A 931 7.011 6.310 -3.957 1.00 0.00 O ATOM 0 H GLY A 931 7.933 2.072 -3.668 1.00 0.00 H new ATOM 0 HA2 GLY A 931 8.956 4.645 -3.814 1.00 0.00 H new ATOM 0 HA3 GLY A 931 8.069 3.819 -5.080 1.00 0.00 H new ATOM 258 N LEU A 932 5.690 4.519 -3.554 1.00 0.00 N ATOM 259 CA LEU A 932 4.491 5.311 -3.343 1.00 0.00 C ATOM 260 C LEU A 932 4.569 5.994 -1.976 1.00 0.00 C ATOM 261 O LEU A 932 4.603 7.220 -1.891 1.00 0.00 O ATOM 262 CB LEU A 932 3.240 4.450 -3.530 1.00 0.00 C ATOM 263 CG LEU A 932 2.232 4.472 -2.378 1.00 0.00 C ATOM 264 CD1 LEU A 932 1.840 5.907 -2.021 1.00 0.00 C ATOM 265 CD2 LEU A 932 1.012 3.607 -2.701 1.00 0.00 C ATOM 0 H LEU A 932 5.558 3.512 -3.461 1.00 0.00 H new ATOM 0 HA LEU A 932 4.421 6.101 -4.091 1.00 0.00 H new ATOM 0 HB2 LEU A 932 2.732 4.775 -4.438 1.00 0.00 H new ATOM 0 HB3 LEU A 932 3.554 3.419 -3.692 1.00 0.00 H new ATOM 0 HG LEU A 932 2.708 4.040 -1.498 1.00 0.00 H new ATOM 0 HD11 LEU A 932 1.123 5.895 -1.200 1.00 0.00 H new ATOM 0 HD12 LEU A 932 2.728 6.462 -1.719 1.00 0.00 H new ATOM 0 HD13 LEU A 932 1.389 6.388 -2.889 1.00 0.00 H new ATOM 0 HD21 LEU A 932 0.311 3.640 -1.867 1.00 0.00 H new ATOM 0 HD22 LEU A 932 0.525 3.986 -3.599 1.00 0.00 H new ATOM 0 HD23 LEU A 932 1.330 2.578 -2.868 1.00 0.00 H new ATOM 277 N VAL A 933 4.595 5.169 -0.939 1.00 0.00 N ATOM 278 CA VAL A 933 4.669 5.677 0.420 1.00 0.00 C ATOM 279 C VAL A 933 5.910 6.559 0.564 1.00 0.00 C ATOM 280 O VAL A 933 5.819 7.696 1.026 1.00 0.00 O ATOM 281 CB VAL A 933 4.642 4.515 1.416 1.00 0.00 C ATOM 282 CG1 VAL A 933 3.304 3.777 1.361 1.00 0.00 C ATOM 283 CG2 VAL A 933 5.809 3.556 1.170 1.00 0.00 C ATOM 0 H VAL A 933 4.566 4.152 -1.013 1.00 0.00 H new ATOM 0 HA VAL A 933 3.802 6.298 0.643 1.00 0.00 H new ATOM 0 HB VAL A 933 4.754 4.929 2.418 1.00 0.00 H new ATOM 0 HG11 VAL A 933 3.311 2.956 2.078 1.00 0.00 H new ATOM 0 HG12 VAL A 933 2.497 4.467 1.608 1.00 0.00 H new ATOM 0 HG13 VAL A 933 3.148 3.381 0.358 1.00 0.00 H new ATOM 0 HG21 VAL A 933 5.767 2.739 1.891 1.00 0.00 H new ATOM 0 HG22 VAL A 933 5.741 3.152 0.160 1.00 0.00 H new ATOM 0 HG23 VAL A 933 6.751 4.092 1.284 1.00 0.00 H new ATOM 293 N LYS A 934 7.043 6.003 0.159 1.00 0.00 N ATOM 294 CA LYS A 934 8.301 6.725 0.236 1.00 0.00 C ATOM 295 C LYS A 934 8.087 8.166 -0.231 1.00 0.00 C ATOM 296 O LYS A 934 8.574 9.105 0.397 1.00 0.00 O ATOM 297 CB LYS A 934 9.393 5.983 -0.538 1.00 0.00 C ATOM 298 CG LYS A 934 9.742 4.657 0.141 1.00 0.00 C ATOM 299 CD LYS A 934 11.113 4.732 0.817 1.00 0.00 C ATOM 300 CE LYS A 934 10.968 4.866 2.335 1.00 0.00 C ATOM 301 NZ LYS A 934 12.299 4.979 2.973 1.00 0.00 N ATOM 0 H LYS A 934 7.115 5.060 -0.224 1.00 0.00 H new ATOM 0 HA LYS A 934 8.650 6.773 1.267 1.00 0.00 H new ATOM 0 HB2 LYS A 934 9.057 5.796 -1.558 1.00 0.00 H new ATOM 0 HB3 LYS A 934 10.284 6.607 -0.605 1.00 0.00 H new ATOM 0 HG2 LYS A 934 8.980 4.412 0.881 1.00 0.00 H new ATOM 0 HG3 LYS A 934 9.740 3.855 -0.597 1.00 0.00 H new ATOM 0 HD2 LYS A 934 11.689 3.837 0.580 1.00 0.00 H new ATOM 0 HD3 LYS A 934 11.670 5.583 0.425 1.00 0.00 H new ATOM 0 HE2 LYS A 934 10.368 5.744 2.573 1.00 0.00 H new ATOM 0 HE3 LYS A 934 10.439 4.001 2.734 1.00 0.00 H new ATOM 0 HZ1 LYS A 934 12.184 5.069 4.003 1.00 0.00 H new ATOM 0 HZ2 LYS A 934 12.859 4.129 2.760 1.00 0.00 H new ATOM 0 HZ3 LYS A 934 12.790 5.818 2.605 1.00 0.00 H new ATOM 315 N ALA A 935 7.357 8.296 -1.329 1.00 0.00 N ATOM 316 CA ALA A 935 7.073 9.607 -1.888 1.00 0.00 C ATOM 317 C ALA A 935 6.048 10.321 -1.005 1.00 0.00 C ATOM 318 O ALA A 935 6.254 11.469 -0.612 1.00 0.00 O ATOM 319 CB ALA A 935 6.592 9.453 -3.332 1.00 0.00 C ATOM 0 H ALA A 935 6.954 7.515 -1.847 1.00 0.00 H new ATOM 0 HA ALA A 935 7.974 10.219 -1.909 1.00 0.00 H new ATOM 0 HB1 ALA A 935 6.379 10.436 -3.751 1.00 0.00 H new ATOM 0 HB2 ALA A 935 7.367 8.966 -3.924 1.00 0.00 H new ATOM 0 HB3 ALA A 935 5.687 8.846 -3.351 1.00 0.00 H new ATOM 325 N VAL A 936 4.966 9.613 -0.718 1.00 0.00 N ATOM 326 CA VAL A 936 3.908 10.165 0.112 1.00 0.00 C ATOM 327 C VAL A 936 4.525 11.053 1.194 1.00 0.00 C ATOM 328 O VAL A 936 4.008 12.129 1.488 1.00 0.00 O ATOM 329 CB VAL A 936 3.048 9.035 0.684 1.00 0.00 C ATOM 330 CG1 VAL A 936 2.268 9.509 1.912 1.00 0.00 C ATOM 331 CG2 VAL A 936 2.106 8.471 -0.381 1.00 0.00 C ATOM 0 H VAL A 936 4.799 8.662 -1.045 1.00 0.00 H new ATOM 0 HA VAL A 936 3.244 10.792 -0.483 1.00 0.00 H new ATOM 0 HB VAL A 936 3.714 8.232 1.000 1.00 0.00 H new ATOM 0 HG11 VAL A 936 1.665 8.688 2.299 1.00 0.00 H new ATOM 0 HG12 VAL A 936 2.966 9.841 2.681 1.00 0.00 H new ATOM 0 HG13 VAL A 936 1.617 10.337 1.632 1.00 0.00 H new ATOM 0 HG21 VAL A 936 1.506 7.670 0.051 1.00 0.00 H new ATOM 0 HG22 VAL A 936 1.449 9.262 -0.741 1.00 0.00 H new ATOM 0 HG23 VAL A 936 2.691 8.078 -1.213 1.00 0.00 H new ATOM 341 N ILE A 937 5.623 10.568 1.757 1.00 0.00 N ATOM 342 CA ILE A 937 6.316 11.305 2.800 1.00 0.00 C ATOM 343 C ILE A 937 7.267 12.317 2.158 1.00 0.00 C ATOM 344 O ILE A 937 7.053 13.524 2.258 1.00 0.00 O ATOM 345 CB ILE A 937 7.006 10.341 3.768 1.00 0.00 C ATOM 346 CG1 ILE A 937 5.981 9.480 4.509 1.00 0.00 C ATOM 347 CG2 ILE A 937 7.924 11.096 4.732 1.00 0.00 C ATOM 348 CD1 ILE A 937 6.587 8.137 4.920 1.00 0.00 C ATOM 0 H ILE A 937 6.049 9.675 1.510 1.00 0.00 H new ATOM 0 HA ILE A 937 5.606 11.872 3.402 1.00 0.00 H new ATOM 0 HB ILE A 937 7.634 9.665 3.187 1.00 0.00 H new ATOM 0 HG12 ILE A 937 5.628 10.010 5.394 1.00 0.00 H new ATOM 0 HG13 ILE A 937 5.113 9.311 3.871 1.00 0.00 H new ATOM 0 HG21 ILE A 937 8.402 10.388 5.409 1.00 0.00 H new ATOM 0 HG22 ILE A 937 8.688 11.628 4.165 1.00 0.00 H new ATOM 0 HG23 ILE A 937 7.337 11.810 5.309 1.00 0.00 H new ATOM 0 HD11 ILE A 937 5.837 7.545 5.445 1.00 0.00 H new ATOM 0 HD12 ILE A 937 6.917 7.599 4.031 1.00 0.00 H new ATOM 0 HD13 ILE A 937 7.439 8.308 5.578 1.00 0.00 H new ATOM 360 N GLU A 938 8.295 11.788 1.513 1.00 0.00 N ATOM 361 CA GLU A 938 9.279 12.630 0.854 1.00 0.00 C ATOM 362 C GLU A 938 8.628 13.926 0.367 1.00 0.00 C ATOM 363 O GLU A 938 9.154 15.014 0.597 1.00 0.00 O ATOM 364 CB GLU A 938 9.952 11.887 -0.301 1.00 0.00 C ATOM 365 CG GLU A 938 11.473 12.039 -0.239 1.00 0.00 C ATOM 366 CD GLU A 938 12.142 10.713 0.129 1.00 0.00 C ATOM 367 OE1 GLU A 938 12.316 10.484 1.346 1.00 0.00 O ATOM 368 OE2 GLU A 938 12.465 9.958 -0.814 1.00 0.00 O ATOM 0 H GLU A 938 8.469 10.786 1.432 1.00 0.00 H new ATOM 0 HA GLU A 938 10.053 12.885 1.578 1.00 0.00 H new ATOM 0 HB2 GLU A 938 9.687 10.830 -0.262 1.00 0.00 H new ATOM 0 HB3 GLU A 938 9.583 12.274 -1.251 1.00 0.00 H new ATOM 0 HG2 GLU A 938 11.847 12.384 -1.203 1.00 0.00 H new ATOM 0 HG3 GLU A 938 11.736 12.800 0.496 1.00 0.00 H new ATOM 375 N MET A 939 7.492 13.767 -0.296 1.00 0.00 N ATOM 376 CA MET A 939 6.764 14.911 -0.817 1.00 0.00 C ATOM 377 C MET A 939 6.636 16.008 0.241 1.00 0.00 C ATOM 378 O MET A 939 7.268 17.058 0.131 1.00 0.00 O ATOM 379 CB MET A 939 5.369 14.468 -1.264 1.00 0.00 C ATOM 380 CG MET A 939 4.445 15.672 -1.451 1.00 0.00 C ATOM 381 SD MET A 939 3.506 15.494 -2.959 1.00 0.00 S ATOM 382 CE MET A 939 3.049 13.773 -2.838 1.00 0.00 C ATOM 0 H MET A 939 7.058 12.863 -0.484 1.00 0.00 H new ATOM 0 HA MET A 939 7.317 15.314 -1.666 1.00 0.00 H new ATOM 0 HB2 MET A 939 5.442 13.913 -2.199 1.00 0.00 H new ATOM 0 HB3 MET A 939 4.944 13.791 -0.523 1.00 0.00 H new ATOM 0 HG2 MET A 939 3.769 15.757 -0.600 1.00 0.00 H new ATOM 0 HG3 MET A 939 5.032 16.590 -1.485 1.00 0.00 H new ATOM 0 HE1 MET A 939 2.084 13.618 -3.320 1.00 0.00 H new ATOM 0 HE2 MET A 939 3.804 13.161 -3.331 1.00 0.00 H new ATOM 0 HE3 MET A 939 2.980 13.488 -1.788 1.00 0.00 H new ATOM 392 N SER A 940 5.814 15.728 1.242 1.00 0.00 N ATOM 393 CA SER A 940 5.596 16.678 2.319 1.00 0.00 C ATOM 394 C SER A 940 6.914 17.360 2.691 1.00 0.00 C ATOM 395 O SER A 940 6.929 18.536 3.050 1.00 0.00 O ATOM 396 CB SER A 940 4.989 15.992 3.544 1.00 0.00 C ATOM 397 OG SER A 940 3.774 15.316 3.231 1.00 0.00 O ATOM 0 H SER A 940 5.291 14.857 1.329 1.00 0.00 H new ATOM 0 HA SER A 940 4.890 17.432 1.971 1.00 0.00 H new ATOM 0 HB2 SER A 940 5.705 15.279 3.952 1.00 0.00 H new ATOM 0 HB3 SER A 940 4.801 16.735 4.319 1.00 0.00 H new ATOM 0 HG SER A 940 3.587 14.644 3.919 1.00 0.00 H new ATOM 403 N SER A 941 7.989 16.591 2.594 1.00 0.00 N ATOM 404 CA SER A 941 9.309 17.106 2.916 1.00 0.00 C ATOM 405 C SER A 941 9.667 18.255 1.971 1.00 0.00 C ATOM 406 O SER A 941 10.064 19.330 2.418 1.00 0.00 O ATOM 407 CB SER A 941 10.366 16.003 2.833 1.00 0.00 C ATOM 408 OG SER A 941 11.381 16.162 3.820 1.00 0.00 O ATOM 0 H SER A 941 7.973 15.615 2.297 1.00 0.00 H new ATOM 0 HA SER A 941 9.290 17.478 3.940 1.00 0.00 H new ATOM 0 HB2 SER A 941 9.887 15.032 2.958 1.00 0.00 H new ATOM 0 HB3 SER A 941 10.820 16.009 1.842 1.00 0.00 H new ATOM 0 HG SER A 941 12.036 15.438 3.735 1.00 0.00 H new ATOM 414 N LYS A 942 9.514 17.989 0.682 1.00 0.00 N ATOM 415 CA LYS A 942 9.816 18.988 -0.329 1.00 0.00 C ATOM 416 C LYS A 942 8.509 19.542 -0.899 1.00 0.00 C ATOM 417 O LYS A 942 8.463 19.974 -2.050 1.00 0.00 O ATOM 418 CB LYS A 942 10.753 18.409 -1.391 1.00 0.00 C ATOM 419 CG LYS A 942 10.017 17.409 -2.285 1.00 0.00 C ATOM 420 CD LYS A 942 10.267 17.710 -3.764 1.00 0.00 C ATOM 421 CE LYS A 942 8.948 17.926 -4.510 1.00 0.00 C ATOM 422 NZ LYS A 942 9.139 18.863 -5.639 1.00 0.00 N ATOM 0 H LYS A 942 9.185 17.096 0.315 1.00 0.00 H new ATOM 0 HA LYS A 942 10.353 19.827 0.113 1.00 0.00 H new ATOM 0 HB2 LYS A 942 11.160 19.216 -2.000 1.00 0.00 H new ATOM 0 HB3 LYS A 942 11.597 17.917 -0.907 1.00 0.00 H new ATOM 0 HG2 LYS A 942 10.349 16.397 -2.055 1.00 0.00 H new ATOM 0 HG3 LYS A 942 8.948 17.449 -2.078 1.00 0.00 H new ATOM 0 HD2 LYS A 942 10.892 18.598 -3.858 1.00 0.00 H new ATOM 0 HD3 LYS A 942 10.816 16.885 -4.219 1.00 0.00 H new ATOM 0 HE2 LYS A 942 8.573 16.972 -4.881 1.00 0.00 H new ATOM 0 HE3 LYS A 942 8.197 18.320 -3.826 1.00 0.00 H new ATOM 0 HZ1 LYS A 942 8.235 18.999 -6.134 1.00 0.00 H new ATOM 0 HZ2 LYS A 942 9.476 19.778 -5.278 1.00 0.00 H new ATOM 0 HZ3 LYS A 942 9.840 18.472 -6.300 1.00 0.00 H new ATOM 436 N ILE A 943 7.478 19.512 -0.067 1.00 0.00 N ATOM 437 CA ILE A 943 6.173 20.006 -0.474 1.00 0.00 C ATOM 438 C ILE A 943 6.030 21.468 -0.046 1.00 0.00 C ATOM 439 O ILE A 943 5.678 22.323 -0.857 1.00 0.00 O ATOM 440 CB ILE A 943 5.065 19.097 0.062 1.00 0.00 C ATOM 441 CG1 ILE A 943 3.974 18.885 -0.989 1.00 0.00 C ATOM 442 CG2 ILE A 943 4.499 19.639 1.376 1.00 0.00 C ATOM 443 CD1 ILE A 943 2.975 20.043 -0.984 1.00 0.00 C ATOM 0 H ILE A 943 7.520 19.153 0.887 1.00 0.00 H new ATOM 0 HA ILE A 943 6.077 19.980 -1.559 1.00 0.00 H new ATOM 0 HB ILE A 943 5.498 18.120 0.277 1.00 0.00 H new ATOM 0 HG12 ILE A 943 4.428 18.796 -1.976 1.00 0.00 H new ATOM 0 HG13 ILE A 943 3.452 17.949 -0.792 1.00 0.00 H new ATOM 0 HG21 ILE A 943 3.713 18.974 1.735 1.00 0.00 H new ATOM 0 HG22 ILE A 943 5.295 19.695 2.119 1.00 0.00 H new ATOM 0 HG23 ILE A 943 4.085 20.634 1.211 1.00 0.00 H new ATOM 0 HD11 ILE A 943 2.210 19.867 -1.740 1.00 0.00 H new ATOM 0 HD12 ILE A 943 2.505 20.114 -0.003 1.00 0.00 H new ATOM 0 HD13 ILE A 943 3.496 20.974 -1.205 1.00 0.00 H new ATOM 455 N GLN A 944 6.311 21.709 1.226 1.00 0.00 N ATOM 456 CA GLN A 944 6.218 23.053 1.771 1.00 0.00 C ATOM 457 C GLN A 944 6.892 24.054 0.831 1.00 0.00 C ATOM 458 O GLN A 944 6.295 25.066 0.466 1.00 0.00 O ATOM 459 CB GLN A 944 6.829 23.119 3.172 1.00 0.00 C ATOM 460 CG GLN A 944 5.831 23.695 4.178 1.00 0.00 C ATOM 461 CD GLN A 944 6.525 24.644 5.158 1.00 0.00 C ATOM 462 OE1 GLN A 944 6.029 25.708 5.488 1.00 0.00 O ATOM 463 NE2 GLN A 944 7.697 24.200 5.602 1.00 0.00 N ATOM 0 H GLN A 944 6.603 20.997 1.895 1.00 0.00 H new ATOM 0 HA GLN A 944 5.164 23.318 1.857 1.00 0.00 H new ATOM 0 HB2 GLN A 944 7.134 22.121 3.487 1.00 0.00 H new ATOM 0 HB3 GLN A 944 7.728 23.735 3.152 1.00 0.00 H new ATOM 0 HG2 GLN A 944 5.041 24.228 3.648 1.00 0.00 H new ATOM 0 HG3 GLN A 944 5.354 22.884 4.728 1.00 0.00 H new ATOM 0 HE21 GLN A 944 8.054 23.299 5.285 1.00 0.00 H new ATOM 0 HE22 GLN A 944 8.239 24.761 6.260 1.00 0.00 H new ATOM 472 N PRO A 945 8.158 23.730 0.456 1.00 0.00 N ATOM 473 CA PRO A 945 8.919 24.589 -0.434 1.00 0.00 C ATOM 474 C PRO A 945 8.423 24.462 -1.876 1.00 0.00 C ATOM 475 O PRO A 945 8.185 25.466 -2.546 1.00 0.00 O ATOM 476 CB PRO A 945 10.365 24.152 -0.263 1.00 0.00 C ATOM 477 CG PRO A 945 10.310 22.766 0.359 1.00 0.00 C ATOM 478 CD PRO A 945 8.896 22.539 0.869 1.00 0.00 C ATOM 0 HA PRO A 945 8.806 25.647 -0.195 1.00 0.00 H new ATOM 0 HB2 PRO A 945 10.882 24.130 -1.222 1.00 0.00 H new ATOM 0 HB3 PRO A 945 10.910 24.846 0.377 1.00 0.00 H new ATOM 0 HG2 PRO A 945 10.577 22.007 -0.376 1.00 0.00 H new ATOM 0 HG3 PRO A 945 11.028 22.685 1.175 1.00 0.00 H new ATOM 0 HD2 PRO A 945 8.461 21.635 0.442 1.00 0.00 H new ATOM 0 HD3 PRO A 945 8.880 22.419 1.952 1.00 0.00 H new ATOM 486 N ALA A 946 8.281 23.219 -2.312 1.00 0.00 N ATOM 487 CA ALA A 946 7.818 22.947 -3.661 1.00 0.00 C ATOM 488 C ALA A 946 6.770 23.990 -4.056 1.00 0.00 C ATOM 489 O ALA A 946 5.804 24.210 -3.328 1.00 0.00 O ATOM 490 CB ALA A 946 7.275 21.518 -3.737 1.00 0.00 C ATOM 0 H ALA A 946 8.479 22.389 -1.754 1.00 0.00 H new ATOM 0 HA ALA A 946 8.642 23.021 -4.371 1.00 0.00 H new ATOM 0 HB1 ALA A 946 6.928 21.314 -4.750 1.00 0.00 H new ATOM 0 HB2 ALA A 946 8.065 20.814 -3.476 1.00 0.00 H new ATOM 0 HB3 ALA A 946 6.445 21.407 -3.039 1.00 0.00 H new ATOM 496 N PRO A 947 7.004 24.620 -5.238 1.00 0.00 N ATOM 497 CA PRO A 947 6.092 25.635 -5.739 1.00 0.00 C ATOM 498 C PRO A 947 4.814 24.999 -6.290 1.00 0.00 C ATOM 499 O PRO A 947 4.693 23.776 -6.331 1.00 0.00 O ATOM 500 CB PRO A 947 6.884 26.390 -6.794 1.00 0.00 C ATOM 501 CG PRO A 947 8.042 25.482 -7.175 1.00 0.00 C ATOM 502 CD PRO A 947 8.138 24.385 -6.127 1.00 0.00 C ATOM 0 HA PRO A 947 5.748 26.314 -4.959 1.00 0.00 H new ATOM 0 HB2 PRO A 947 6.263 26.616 -7.661 1.00 0.00 H new ATOM 0 HB3 PRO A 947 7.246 27.342 -6.404 1.00 0.00 H new ATOM 0 HG2 PRO A 947 7.881 25.052 -8.164 1.00 0.00 H new ATOM 0 HG3 PRO A 947 8.972 26.048 -7.221 1.00 0.00 H new ATOM 0 HD2 PRO A 947 8.085 23.396 -6.583 1.00 0.00 H new ATOM 0 HD3 PRO A 947 9.083 24.436 -5.586 1.00 0.00 H new ATOM 510 N PRO A 948 3.870 25.882 -6.712 1.00 0.00 N ATOM 511 CA PRO A 948 2.605 25.420 -7.260 1.00 0.00 C ATOM 512 C PRO A 948 2.787 24.883 -8.681 1.00 0.00 C ATOM 513 O PRO A 948 1.901 24.218 -9.215 1.00 0.00 O ATOM 514 CB PRO A 948 1.684 26.627 -7.195 1.00 0.00 C ATOM 515 CG PRO A 948 2.592 27.838 -7.049 1.00 0.00 C ATOM 516 CD PRO A 948 3.979 27.338 -6.679 1.00 0.00 C ATOM 0 HA PRO A 948 2.184 24.584 -6.701 1.00 0.00 H new ATOM 0 HB2 PRO A 948 1.075 26.702 -8.096 1.00 0.00 H new ATOM 0 HB3 PRO A 948 0.998 26.550 -6.352 1.00 0.00 H new ATOM 0 HG2 PRO A 948 2.626 28.404 -7.980 1.00 0.00 H new ATOM 0 HG3 PRO A 948 2.211 28.511 -6.281 1.00 0.00 H new ATOM 0 HD2 PRO A 948 4.730 27.695 -7.384 1.00 0.00 H new ATOM 0 HD3 PRO A 948 4.276 27.690 -5.691 1.00 0.00 H new ATOM 524 N GLU A 949 3.942 25.191 -9.253 1.00 0.00 N ATOM 525 CA GLU A 949 4.251 24.748 -10.601 1.00 0.00 C ATOM 526 C GLU A 949 4.955 23.390 -10.565 1.00 0.00 C ATOM 527 O GLU A 949 4.976 22.670 -11.562 1.00 0.00 O ATOM 528 CB GLU A 949 5.099 25.786 -11.339 1.00 0.00 C ATOM 529 CG GLU A 949 4.511 26.094 -12.718 1.00 0.00 C ATOM 530 CD GLU A 949 5.611 26.471 -13.711 1.00 0.00 C ATOM 531 OE1 GLU A 949 6.007 27.657 -13.697 1.00 0.00 O ATOM 532 OE2 GLU A 949 6.032 25.565 -14.462 1.00 0.00 O ATOM 0 H GLU A 949 4.675 25.742 -8.807 1.00 0.00 H new ATOM 0 HA GLU A 949 3.315 24.636 -11.149 1.00 0.00 H new ATOM 0 HB2 GLU A 949 5.153 26.702 -10.750 1.00 0.00 H new ATOM 0 HB3 GLU A 949 6.119 25.416 -11.449 1.00 0.00 H new ATOM 0 HG2 GLU A 949 3.965 25.226 -13.087 1.00 0.00 H new ATOM 0 HG3 GLU A 949 3.794 26.911 -12.637 1.00 0.00 H new ATOM 539 N GLU A 950 5.516 23.081 -9.405 1.00 0.00 N ATOM 540 CA GLU A 950 6.220 21.822 -9.225 1.00 0.00 C ATOM 541 C GLU A 950 5.403 20.879 -8.341 1.00 0.00 C ATOM 542 O GLU A 950 5.735 19.702 -8.209 1.00 0.00 O ATOM 543 CB GLU A 950 7.614 22.053 -8.640 1.00 0.00 C ATOM 544 CG GLU A 950 8.690 21.408 -9.516 1.00 0.00 C ATOM 545 CD GLU A 950 9.074 22.326 -10.678 1.00 0.00 C ATOM 546 OE1 GLU A 950 9.536 23.450 -10.385 1.00 0.00 O ATOM 547 OE2 GLU A 950 8.897 21.883 -11.834 1.00 0.00 O ATOM 0 H GLU A 950 5.497 23.681 -8.580 1.00 0.00 H new ATOM 0 HA GLU A 950 6.345 21.355 -10.202 1.00 0.00 H new ATOM 0 HB2 GLU A 950 7.803 23.123 -8.554 1.00 0.00 H new ATOM 0 HB3 GLU A 950 7.663 21.638 -7.633 1.00 0.00 H new ATOM 0 HG2 GLU A 950 9.572 21.190 -8.914 1.00 0.00 H new ATOM 0 HG3 GLU A 950 8.326 20.457 -9.904 1.00 0.00 H new ATOM 554 N TYR A 951 4.349 21.431 -7.757 1.00 0.00 N ATOM 555 CA TYR A 951 3.482 20.653 -6.888 1.00 0.00 C ATOM 556 C TYR A 951 2.338 20.019 -7.681 1.00 0.00 C ATOM 557 O TYR A 951 1.984 18.863 -7.452 1.00 0.00 O ATOM 558 CB TYR A 951 2.899 21.643 -5.878 1.00 0.00 C ATOM 559 CG TYR A 951 1.940 21.010 -4.868 1.00 0.00 C ATOM 560 CD1 TYR A 951 2.056 19.672 -4.552 1.00 0.00 C ATOM 561 CD2 TYR A 951 0.958 21.777 -4.274 1.00 0.00 C ATOM 562 CE1 TYR A 951 1.153 19.075 -3.601 1.00 0.00 C ATOM 563 CE2 TYR A 951 0.055 21.181 -3.324 1.00 0.00 C ATOM 564 CZ TYR A 951 0.197 19.859 -3.034 1.00 0.00 C ATOM 565 OH TYR A 951 -0.655 19.296 -2.137 1.00 0.00 O ATOM 0 H TYR A 951 4.076 22.407 -7.869 1.00 0.00 H new ATOM 0 HA TYR A 951 4.040 19.848 -6.410 1.00 0.00 H new ATOM 0 HB2 TYR A 951 3.717 22.119 -5.338 1.00 0.00 H new ATOM 0 HB3 TYR A 951 2.373 22.430 -6.418 1.00 0.00 H new ATOM 0 HD1 TYR A 951 2.824 19.072 -5.018 1.00 0.00 H new ATOM 0 HD2 TYR A 951 0.867 22.824 -4.522 1.00 0.00 H new ATOM 0 HE1 TYR A 951 1.233 18.029 -3.344 1.00 0.00 H new ATOM 0 HE2 TYR A 951 -0.718 21.770 -2.852 1.00 0.00 H new ATOM 0 HH TYR A 951 -0.183 18.605 -1.627 1.00 0.00 H new ATOM 575 N VAL A 952 1.790 20.803 -8.598 1.00 0.00 N ATOM 576 CA VAL A 952 0.693 20.332 -9.427 1.00 0.00 C ATOM 577 C VAL A 952 1.006 18.920 -9.927 1.00 0.00 C ATOM 578 O VAL A 952 0.177 18.019 -9.813 1.00 0.00 O ATOM 579 CB VAL A 952 0.431 21.324 -10.562 1.00 0.00 C ATOM 580 CG1 VAL A 952 0.180 20.593 -11.882 1.00 0.00 C ATOM 581 CG2 VAL A 952 -0.734 22.254 -10.219 1.00 0.00 C ATOM 0 H VAL A 952 2.085 21.761 -8.785 1.00 0.00 H new ATOM 0 HA VAL A 952 -0.227 20.274 -8.845 1.00 0.00 H new ATOM 0 HB VAL A 952 1.324 21.937 -10.684 1.00 0.00 H new ATOM 0 HG11 VAL A 952 -0.003 21.321 -12.672 1.00 0.00 H new ATOM 0 HG12 VAL A 952 1.053 19.993 -12.137 1.00 0.00 H new ATOM 0 HG13 VAL A 952 -0.689 19.943 -11.779 1.00 0.00 H new ATOM 0 HG21 VAL A 952 -0.899 22.949 -11.042 1.00 0.00 H new ATOM 0 HG22 VAL A 952 -1.635 21.663 -10.056 1.00 0.00 H new ATOM 0 HG23 VAL A 952 -0.499 22.813 -9.314 1.00 0.00 H new ATOM 591 N PRO A 953 2.238 18.768 -10.484 1.00 0.00 N ATOM 592 CA PRO A 953 2.671 17.481 -11.002 1.00 0.00 C ATOM 593 C PRO A 953 3.029 16.525 -9.863 1.00 0.00 C ATOM 594 O PRO A 953 2.513 15.410 -9.798 1.00 0.00 O ATOM 595 CB PRO A 953 3.851 17.798 -11.905 1.00 0.00 C ATOM 596 CG PRO A 953 4.327 19.184 -11.499 1.00 0.00 C ATOM 597 CD PRO A 953 3.246 19.813 -10.635 1.00 0.00 C ATOM 0 HA PRO A 953 1.888 16.966 -11.559 1.00 0.00 H new ATOM 0 HB2 PRO A 953 4.645 17.061 -11.783 1.00 0.00 H new ATOM 0 HB3 PRO A 953 3.556 17.778 -12.954 1.00 0.00 H new ATOM 0 HG2 PRO A 953 5.266 19.119 -10.949 1.00 0.00 H new ATOM 0 HG3 PRO A 953 4.516 19.796 -12.381 1.00 0.00 H new ATOM 0 HD2 PRO A 953 3.642 20.124 -9.668 1.00 0.00 H new ATOM 0 HD3 PRO A 953 2.828 20.701 -11.108 1.00 0.00 H new ATOM 605 N MET A 954 3.912 16.995 -8.993 1.00 0.00 N ATOM 606 CA MET A 954 4.346 16.195 -7.861 1.00 0.00 C ATOM 607 C MET A 954 3.238 15.242 -7.406 1.00 0.00 C ATOM 608 O MET A 954 3.471 14.045 -7.247 1.00 0.00 O ATOM 609 CB MET A 954 4.733 17.117 -6.703 1.00 0.00 C ATOM 610 CG MET A 954 6.088 16.719 -6.114 1.00 0.00 C ATOM 611 SD MET A 954 6.043 16.853 -4.334 1.00 0.00 S ATOM 612 CE MET A 954 5.371 18.498 -4.164 1.00 0.00 C ATOM 0 H MET A 954 4.338 17.920 -9.050 1.00 0.00 H new ATOM 0 HA MET A 954 5.207 15.601 -8.168 1.00 0.00 H new ATOM 0 HB2 MET A 954 4.773 18.149 -7.053 1.00 0.00 H new ATOM 0 HB3 MET A 954 3.968 17.073 -5.927 1.00 0.00 H new ATOM 0 HG2 MET A 954 6.334 15.697 -6.404 1.00 0.00 H new ATOM 0 HG3 MET A 954 6.871 17.362 -6.516 1.00 0.00 H new ATOM 0 HE1 MET A 954 5.890 19.022 -3.361 1.00 0.00 H new ATOM 0 HE2 MET A 954 5.504 19.044 -5.098 1.00 0.00 H new ATOM 0 HE3 MET A 954 4.309 18.435 -3.929 1.00 0.00 H new ATOM 622 N VAL A 955 2.057 15.809 -7.210 1.00 0.00 N ATOM 623 CA VAL A 955 0.913 15.025 -6.777 1.00 0.00 C ATOM 624 C VAL A 955 0.484 14.089 -7.909 1.00 0.00 C ATOM 625 O VAL A 955 0.392 12.878 -7.716 1.00 0.00 O ATOM 626 CB VAL A 955 -0.210 15.952 -6.310 1.00 0.00 C ATOM 627 CG1 VAL A 955 -1.553 15.218 -6.285 1.00 0.00 C ATOM 628 CG2 VAL A 955 0.110 16.556 -4.941 1.00 0.00 C ATOM 0 H VAL A 955 1.867 16.802 -7.343 1.00 0.00 H new ATOM 0 HA VAL A 955 1.178 14.402 -5.923 1.00 0.00 H new ATOM 0 HB VAL A 955 -0.288 16.770 -7.027 1.00 0.00 H new ATOM 0 HG11 VAL A 955 -2.334 15.900 -5.949 1.00 0.00 H new ATOM 0 HG12 VAL A 955 -1.790 14.859 -7.287 1.00 0.00 H new ATOM 0 HG13 VAL A 955 -1.492 14.371 -5.601 1.00 0.00 H new ATOM 0 HG21 VAL A 955 -0.705 17.211 -4.633 1.00 0.00 H new ATOM 0 HG22 VAL A 955 0.230 15.757 -4.210 1.00 0.00 H new ATOM 0 HG23 VAL A 955 1.034 17.131 -5.004 1.00 0.00 H new ATOM 638 N LYS A 956 0.233 14.686 -9.064 1.00 0.00 N ATOM 639 CA LYS A 956 -0.184 13.921 -10.227 1.00 0.00 C ATOM 640 C LYS A 956 0.610 12.615 -10.284 1.00 0.00 C ATOM 641 O LYS A 956 0.105 11.597 -10.756 1.00 0.00 O ATOM 642 CB LYS A 956 -0.067 14.768 -11.496 1.00 0.00 C ATOM 643 CG LYS A 956 -1.233 15.753 -11.607 1.00 0.00 C ATOM 644 CD LYS A 956 -2.513 15.040 -12.047 1.00 0.00 C ATOM 645 CE LYS A 956 -3.667 15.345 -11.089 1.00 0.00 C ATOM 646 NZ LYS A 956 -4.299 16.638 -11.435 1.00 0.00 N ATOM 0 H LYS A 956 0.310 15.691 -9.220 1.00 0.00 H new ATOM 0 HA LYS A 956 -1.237 13.651 -10.148 1.00 0.00 H new ATOM 0 HB2 LYS A 956 0.876 15.315 -11.487 1.00 0.00 H new ATOM 0 HB3 LYS A 956 -0.051 14.118 -12.371 1.00 0.00 H new ATOM 0 HG2 LYS A 956 -1.396 16.239 -10.645 1.00 0.00 H new ATOM 0 HG3 LYS A 956 -0.985 16.537 -12.323 1.00 0.00 H new ATOM 0 HD2 LYS A 956 -2.780 15.354 -13.056 1.00 0.00 H new ATOM 0 HD3 LYS A 956 -2.340 13.964 -12.083 1.00 0.00 H new ATOM 0 HE2 LYS A 956 -4.408 14.547 -11.137 1.00 0.00 H new ATOM 0 HE3 LYS A 956 -3.298 15.376 -10.064 1.00 0.00 H new ATOM 0 HZ1 LYS A 956 -5.080 16.830 -10.776 1.00 0.00 H new ATOM 0 HZ2 LYS A 956 -3.593 17.399 -11.367 1.00 0.00 H new ATOM 0 HZ3 LYS A 956 -4.669 16.595 -12.406 1.00 0.00 H new ATOM 660 N GLU A 957 1.840 12.685 -9.797 1.00 0.00 N ATOM 661 CA GLU A 957 2.709 11.521 -9.787 1.00 0.00 C ATOM 662 C GLU A 957 2.213 10.498 -8.763 1.00 0.00 C ATOM 663 O GLU A 957 1.931 9.352 -9.111 1.00 0.00 O ATOM 664 CB GLU A 957 4.158 11.921 -9.504 1.00 0.00 C ATOM 665 CG GLU A 957 4.952 12.059 -10.805 1.00 0.00 C ATOM 666 CD GLU A 957 5.093 13.529 -11.208 1.00 0.00 C ATOM 667 OE1 GLU A 957 4.191 14.008 -11.929 1.00 0.00 O ATOM 668 OE2 GLU A 957 6.098 14.140 -10.785 1.00 0.00 O ATOM 0 H GLU A 957 2.256 13.531 -9.406 1.00 0.00 H new ATOM 0 HA GLU A 957 2.680 11.061 -10.775 1.00 0.00 H new ATOM 0 HB2 GLU A 957 4.179 12.865 -8.959 1.00 0.00 H new ATOM 0 HB3 GLU A 957 4.627 11.173 -8.865 1.00 0.00 H new ATOM 0 HG2 GLU A 957 5.940 11.616 -10.681 1.00 0.00 H new ATOM 0 HG3 GLU A 957 4.452 11.506 -11.601 1.00 0.00 H new ATOM 675 N VAL A 958 2.122 10.948 -7.520 1.00 0.00 N ATOM 676 CA VAL A 958 1.665 10.086 -6.444 1.00 0.00 C ATOM 677 C VAL A 958 0.362 9.402 -6.862 1.00 0.00 C ATOM 678 O VAL A 958 0.193 8.201 -6.656 1.00 0.00 O ATOM 679 CB VAL A 958 1.529 10.891 -5.150 1.00 0.00 C ATOM 680 CG1 VAL A 958 0.092 11.383 -4.959 1.00 0.00 C ATOM 681 CG2 VAL A 958 1.994 10.074 -3.943 1.00 0.00 C ATOM 0 H VAL A 958 2.357 11.899 -7.234 1.00 0.00 H new ATOM 0 HA VAL A 958 2.395 9.301 -6.248 1.00 0.00 H new ATOM 0 HB VAL A 958 2.175 11.765 -5.230 1.00 0.00 H new ATOM 0 HG11 VAL A 958 0.023 11.952 -4.032 1.00 0.00 H new ATOM 0 HG12 VAL A 958 -0.189 12.020 -5.798 1.00 0.00 H new ATOM 0 HG13 VAL A 958 -0.582 10.528 -4.911 1.00 0.00 H new ATOM 0 HG21 VAL A 958 1.887 10.670 -3.037 1.00 0.00 H new ATOM 0 HG22 VAL A 958 1.387 9.172 -3.858 1.00 0.00 H new ATOM 0 HG23 VAL A 958 3.040 9.796 -4.073 1.00 0.00 H new ATOM 691 N GLY A 959 -0.526 10.196 -7.442 1.00 0.00 N ATOM 692 CA GLY A 959 -1.809 9.682 -7.891 1.00 0.00 C ATOM 693 C GLY A 959 -1.622 8.507 -8.854 1.00 0.00 C ATOM 694 O GLY A 959 -2.393 7.549 -8.826 1.00 0.00 O ATOM 0 H GLY A 959 -0.382 11.192 -7.611 1.00 0.00 H new ATOM 0 HA2 GLY A 959 -2.398 9.362 -7.031 1.00 0.00 H new ATOM 0 HA3 GLY A 959 -2.370 10.476 -8.384 1.00 0.00 H new ATOM 698 N LEU A 960 -0.595 8.621 -9.682 1.00 0.00 N ATOM 699 CA LEU A 960 -0.297 7.580 -10.652 1.00 0.00 C ATOM 700 C LEU A 960 0.150 6.316 -9.916 1.00 0.00 C ATOM 701 O LEU A 960 -0.375 5.231 -10.163 1.00 0.00 O ATOM 702 CB LEU A 960 0.716 8.082 -11.683 1.00 0.00 C ATOM 703 CG LEU A 960 0.298 7.958 -13.149 1.00 0.00 C ATOM 704 CD1 LEU A 960 1.284 8.689 -14.064 1.00 0.00 C ATOM 705 CD2 LEU A 960 0.126 6.491 -13.548 1.00 0.00 C ATOM 0 H LEU A 960 0.042 9.418 -9.702 1.00 0.00 H new ATOM 0 HA LEU A 960 -1.191 7.320 -11.218 1.00 0.00 H new ATOM 0 HB2 LEU A 960 0.928 9.130 -11.474 1.00 0.00 H new ATOM 0 HB3 LEU A 960 1.648 7.534 -11.544 1.00 0.00 H new ATOM 0 HG LEU A 960 -0.672 8.440 -13.270 1.00 0.00 H new ATOM 0 HD11 LEU A 960 0.964 8.585 -15.101 1.00 0.00 H new ATOM 0 HD12 LEU A 960 1.313 9.745 -13.797 1.00 0.00 H new ATOM 0 HD13 LEU A 960 2.278 8.257 -13.946 1.00 0.00 H new ATOM 0 HD21 LEU A 960 -0.171 6.431 -14.595 1.00 0.00 H new ATOM 0 HD22 LEU A 960 1.069 5.963 -13.408 1.00 0.00 H new ATOM 0 HD23 LEU A 960 -0.643 6.032 -12.926 1.00 0.00 H new ATOM 717 N ALA A 961 1.114 6.497 -9.026 1.00 0.00 N ATOM 718 CA ALA A 961 1.638 5.384 -8.252 1.00 0.00 C ATOM 719 C ALA A 961 0.473 4.575 -7.678 1.00 0.00 C ATOM 720 O ALA A 961 0.369 3.373 -7.920 1.00 0.00 O ATOM 721 CB ALA A 961 2.572 5.915 -7.162 1.00 0.00 C ATOM 0 H ALA A 961 1.546 7.398 -8.823 1.00 0.00 H new ATOM 0 HA ALA A 961 2.222 4.717 -8.886 1.00 0.00 H new ATOM 0 HB1 ALA A 961 2.965 5.080 -6.581 1.00 0.00 H new ATOM 0 HB2 ALA A 961 3.398 6.457 -7.623 1.00 0.00 H new ATOM 0 HB3 ALA A 961 2.019 6.586 -6.504 1.00 0.00 H new ATOM 727 N LEU A 962 -0.374 5.266 -6.930 1.00 0.00 N ATOM 728 CA LEU A 962 -1.527 4.627 -6.320 1.00 0.00 C ATOM 729 C LEU A 962 -2.314 3.872 -7.393 1.00 0.00 C ATOM 730 O LEU A 962 -2.652 2.703 -7.213 1.00 0.00 O ATOM 731 CB LEU A 962 -2.364 5.651 -5.551 1.00 0.00 C ATOM 732 CG LEU A 962 -1.686 6.300 -4.343 1.00 0.00 C ATOM 733 CD1 LEU A 962 -1.855 7.821 -4.370 1.00 0.00 C ATOM 734 CD2 LEU A 962 -2.195 5.690 -3.035 1.00 0.00 C ATOM 0 H LEU A 962 -0.285 6.263 -6.732 1.00 0.00 H new ATOM 0 HA LEU A 962 -1.207 3.892 -5.581 1.00 0.00 H new ATOM 0 HB2 LEU A 962 -2.662 6.439 -6.242 1.00 0.00 H new ATOM 0 HB3 LEU A 962 -3.277 5.163 -5.211 1.00 0.00 H new ATOM 0 HG LEU A 962 -0.617 6.094 -4.400 1.00 0.00 H new ATOM 0 HD11 LEU A 962 -1.364 8.257 -3.500 1.00 0.00 H new ATOM 0 HD12 LEU A 962 -1.406 8.221 -5.279 1.00 0.00 H new ATOM 0 HD13 LEU A 962 -2.916 8.070 -4.350 1.00 0.00 H new ATOM 0 HD21 LEU A 962 -1.697 6.169 -2.192 1.00 0.00 H new ATOM 0 HD22 LEU A 962 -3.271 5.844 -2.956 1.00 0.00 H new ATOM 0 HD23 LEU A 962 -1.980 4.621 -3.024 1.00 0.00 H new ATOM 746 N ARG A 963 -2.581 4.571 -8.487 1.00 0.00 N ATOM 747 CA ARG A 963 -3.321 3.981 -9.589 1.00 0.00 C ATOM 748 C ARG A 963 -2.638 2.695 -10.060 1.00 0.00 C ATOM 749 O ARG A 963 -3.253 1.630 -10.072 1.00 0.00 O ATOM 750 CB ARG A 963 -3.426 4.954 -10.765 1.00 0.00 C ATOM 751 CG ARG A 963 -4.809 4.880 -11.416 1.00 0.00 C ATOM 752 CD ARG A 963 -5.635 6.127 -11.093 1.00 0.00 C ATOM 753 NE ARG A 963 -5.210 7.253 -11.955 1.00 0.00 N ATOM 754 CZ ARG A 963 -5.843 8.432 -12.017 1.00 0.00 C ATOM 755 NH1 ARG A 963 -6.933 8.647 -11.268 1.00 0.00 N ATOM 756 NH2 ARG A 963 -5.386 9.396 -12.828 1.00 0.00 N ATOM 0 H ARG A 963 -2.298 5.540 -8.633 1.00 0.00 H new ATOM 0 HA ARG A 963 -4.324 3.753 -9.230 1.00 0.00 H new ATOM 0 HB2 ARG A 963 -3.237 5.970 -10.419 1.00 0.00 H new ATOM 0 HB3 ARG A 963 -2.659 4.721 -11.504 1.00 0.00 H new ATOM 0 HG2 ARG A 963 -4.701 4.780 -12.496 1.00 0.00 H new ATOM 0 HG3 ARG A 963 -5.333 3.991 -11.065 1.00 0.00 H new ATOM 0 HD2 ARG A 963 -6.694 5.921 -11.246 1.00 0.00 H new ATOM 0 HD3 ARG A 963 -5.510 6.394 -10.044 1.00 0.00 H new ATOM 0 HE ARG A 963 -4.383 7.123 -12.538 1.00 0.00 H new ATOM 0 HH11 ARG A 963 -7.281 7.913 -10.651 1.00 0.00 H new ATOM 0 HH12 ARG A 963 -7.415 9.545 -11.315 1.00 0.00 H new ATOM 0 HH21 ARG A 963 -4.556 9.232 -13.398 1.00 0.00 H new ATOM 0 HH22 ARG A 963 -5.868 10.294 -12.875 1.00 0.00 H new ATOM 770 N THR A 964 -1.376 2.837 -10.436 1.00 0.00 N ATOM 771 CA THR A 964 -0.602 1.700 -10.906 1.00 0.00 C ATOM 772 C THR A 964 -0.589 0.592 -9.851 1.00 0.00 C ATOM 773 O THR A 964 -0.810 -0.575 -10.169 1.00 0.00 O ATOM 774 CB THR A 964 0.794 2.201 -11.280 1.00 0.00 C ATOM 775 OG1 THR A 964 0.624 2.769 -12.576 1.00 0.00 O ATOM 776 CG2 THR A 964 1.786 1.057 -11.502 1.00 0.00 C ATOM 0 H THR A 964 -0.869 3.722 -10.425 1.00 0.00 H new ATOM 0 HA THR A 964 -1.051 1.255 -11.794 1.00 0.00 H new ATOM 0 HB THR A 964 1.166 2.858 -10.494 1.00 0.00 H new ATOM 0 HG1 THR A 964 1.482 3.120 -12.894 1.00 0.00 H new ATOM 0 HG21 THR A 964 2.761 1.467 -11.765 1.00 0.00 H new ATOM 0 HG22 THR A 964 1.874 0.469 -10.588 1.00 0.00 H new ATOM 0 HG23 THR A 964 1.430 0.419 -12.311 1.00 0.00 H new ATOM 784 N LEU A 965 -0.327 0.997 -8.617 1.00 0.00 N ATOM 785 CA LEU A 965 -0.281 0.053 -7.514 1.00 0.00 C ATOM 786 C LEU A 965 -1.537 -0.820 -7.543 1.00 0.00 C ATOM 787 O LEU A 965 -1.448 -2.045 -7.469 1.00 0.00 O ATOM 788 CB LEU A 965 -0.074 0.787 -6.188 1.00 0.00 C ATOM 789 CG LEU A 965 -0.359 -0.022 -4.921 1.00 0.00 C ATOM 790 CD1 LEU A 965 0.939 -0.542 -4.299 1.00 0.00 C ATOM 791 CD2 LEU A 965 -1.185 0.794 -3.924 1.00 0.00 C ATOM 0 H LEU A 965 -0.144 1.966 -8.357 1.00 0.00 H new ATOM 0 HA LEU A 965 0.575 -0.614 -7.620 1.00 0.00 H new ATOM 0 HB2 LEU A 965 0.957 1.138 -6.147 1.00 0.00 H new ATOM 0 HB3 LEU A 965 -0.712 1.671 -6.182 1.00 0.00 H new ATOM 0 HG LEU A 965 -0.955 -0.892 -5.198 1.00 0.00 H new ATOM 0 HD11 LEU A 965 0.708 -1.114 -3.400 1.00 0.00 H new ATOM 0 HD12 LEU A 965 1.454 -1.183 -5.014 1.00 0.00 H new ATOM 0 HD13 LEU A 965 1.581 0.300 -4.039 1.00 0.00 H new ATOM 0 HD21 LEU A 965 -1.374 0.196 -3.032 1.00 0.00 H new ATOM 0 HD22 LEU A 965 -0.636 1.694 -3.648 1.00 0.00 H new ATOM 0 HD23 LEU A 965 -2.134 1.074 -4.381 1.00 0.00 H new ATOM 803 N LEU A 966 -2.678 -0.156 -7.651 1.00 0.00 N ATOM 804 CA LEU A 966 -3.951 -0.856 -7.691 1.00 0.00 C ATOM 805 C LEU A 966 -3.836 -2.061 -8.628 1.00 0.00 C ATOM 806 O LEU A 966 -4.068 -3.196 -8.215 1.00 0.00 O ATOM 807 CB LEU A 966 -5.081 0.106 -8.062 1.00 0.00 C ATOM 808 CG LEU A 966 -6.263 0.159 -7.092 1.00 0.00 C ATOM 809 CD1 LEU A 966 -6.859 1.567 -7.031 1.00 0.00 C ATOM 810 CD2 LEU A 966 -7.314 -0.893 -7.450 1.00 0.00 C ATOM 0 H LEU A 966 -2.748 0.860 -7.712 1.00 0.00 H new ATOM 0 HA LEU A 966 -4.204 -1.242 -6.704 1.00 0.00 H new ATOM 0 HB2 LEU A 966 -4.663 1.109 -8.150 1.00 0.00 H new ATOM 0 HB3 LEU A 966 -5.457 -0.170 -9.047 1.00 0.00 H new ATOM 0 HG LEU A 966 -5.896 -0.079 -6.094 1.00 0.00 H new ATOM 0 HD11 LEU A 966 -7.697 1.577 -6.335 1.00 0.00 H new ATOM 0 HD12 LEU A 966 -6.098 2.270 -6.693 1.00 0.00 H new ATOM 0 HD13 LEU A 966 -7.207 1.858 -8.022 1.00 0.00 H new ATOM 0 HD21 LEU A 966 -8.143 -0.834 -6.745 1.00 0.00 H new ATOM 0 HD22 LEU A 966 -7.682 -0.710 -8.459 1.00 0.00 H new ATOM 0 HD23 LEU A 966 -6.867 -1.886 -7.401 1.00 0.00 H new ATOM 822 N ALA A 967 -3.479 -1.771 -9.870 1.00 0.00 N ATOM 823 CA ALA A 967 -3.331 -2.816 -10.869 1.00 0.00 C ATOM 824 C ALA A 967 -2.335 -3.862 -10.363 1.00 0.00 C ATOM 825 O ALA A 967 -2.639 -5.054 -10.340 1.00 0.00 O ATOM 826 CB ALA A 967 -2.900 -2.195 -12.199 1.00 0.00 C ATOM 0 H ALA A 967 -3.288 -0.828 -10.208 1.00 0.00 H new ATOM 0 HA ALA A 967 -4.282 -3.321 -11.039 1.00 0.00 H new ATOM 0 HB1 ALA A 967 -2.789 -2.979 -12.948 1.00 0.00 H new ATOM 0 HB2 ALA A 967 -3.655 -1.482 -12.529 1.00 0.00 H new ATOM 0 HB3 ALA A 967 -1.948 -1.681 -12.069 1.00 0.00 H new ATOM 832 N THR A 968 -1.166 -3.377 -9.970 1.00 0.00 N ATOM 833 CA THR A 968 -0.124 -4.255 -9.466 1.00 0.00 C ATOM 834 C THR A 968 -0.699 -5.231 -8.438 1.00 0.00 C ATOM 835 O THR A 968 -0.438 -6.431 -8.503 1.00 0.00 O ATOM 836 CB THR A 968 1.002 -3.380 -8.910 1.00 0.00 C ATOM 837 OG1 THR A 968 1.146 -2.343 -9.877 1.00 0.00 O ATOM 838 CG2 THR A 968 2.356 -4.092 -8.922 1.00 0.00 C ATOM 0 H THR A 968 -0.918 -2.388 -9.990 1.00 0.00 H new ATOM 0 HA THR A 968 0.289 -4.876 -10.261 1.00 0.00 H new ATOM 0 HB THR A 968 0.759 -3.080 -7.891 1.00 0.00 H new ATOM 0 HG1 THR A 968 0.591 -1.577 -9.620 1.00 0.00 H new ATOM 0 HG21 THR A 968 3.120 -3.428 -8.518 1.00 0.00 H new ATOM 0 HG22 THR A 968 2.299 -4.993 -8.312 1.00 0.00 H new ATOM 0 HG23 THR A 968 2.616 -4.363 -9.945 1.00 0.00 H new ATOM 846 N VAL A 969 -1.471 -4.680 -7.513 1.00 0.00 N ATOM 847 CA VAL A 969 -2.086 -5.487 -6.473 1.00 0.00 C ATOM 848 C VAL A 969 -2.911 -6.602 -7.119 1.00 0.00 C ATOM 849 O VAL A 969 -2.940 -7.726 -6.620 1.00 0.00 O ATOM 850 CB VAL A 969 -2.909 -4.598 -5.539 1.00 0.00 C ATOM 851 CG1 VAL A 969 -3.766 -5.442 -4.593 1.00 0.00 C ATOM 852 CG2 VAL A 969 -2.008 -3.641 -4.756 1.00 0.00 C ATOM 0 H VAL A 969 -1.685 -3.684 -7.462 1.00 0.00 H new ATOM 0 HA VAL A 969 -1.323 -5.963 -5.857 1.00 0.00 H new ATOM 0 HB VAL A 969 -3.580 -3.998 -6.154 1.00 0.00 H new ATOM 0 HG11 VAL A 969 -4.341 -4.786 -3.940 1.00 0.00 H new ATOM 0 HG12 VAL A 969 -4.447 -6.062 -5.175 1.00 0.00 H new ATOM 0 HG13 VAL A 969 -3.121 -6.080 -3.989 1.00 0.00 H new ATOM 0 HG21 VAL A 969 -2.619 -3.021 -4.100 1.00 0.00 H new ATOM 0 HG22 VAL A 969 -1.301 -4.215 -4.158 1.00 0.00 H new ATOM 0 HG23 VAL A 969 -1.462 -3.004 -5.452 1.00 0.00 H new ATOM 862 N ASP A 970 -3.561 -6.251 -8.219 1.00 0.00 N ATOM 863 CA ASP A 970 -4.384 -7.208 -8.938 1.00 0.00 C ATOM 864 C ASP A 970 -3.593 -8.501 -9.145 1.00 0.00 C ATOM 865 O ASP A 970 -4.114 -9.594 -8.925 1.00 0.00 O ATOM 866 CB ASP A 970 -4.779 -6.670 -10.315 1.00 0.00 C ATOM 867 CG ASP A 970 -5.989 -7.354 -10.954 1.00 0.00 C ATOM 868 OD1 ASP A 970 -6.903 -7.724 -10.186 1.00 0.00 O ATOM 869 OD2 ASP A 970 -5.972 -7.492 -12.197 1.00 0.00 O ATOM 0 H ASP A 970 -3.534 -5.318 -8.629 1.00 0.00 H new ATOM 0 HA ASP A 970 -5.284 -7.388 -8.349 1.00 0.00 H new ATOM 0 HB2 ASP A 970 -4.989 -5.604 -10.225 1.00 0.00 H new ATOM 0 HB3 ASP A 970 -3.926 -6.772 -10.986 1.00 0.00 H new ATOM 874 N GLU A 971 -2.347 -8.335 -9.565 1.00 0.00 N ATOM 875 CA GLU A 971 -1.479 -9.475 -9.804 1.00 0.00 C ATOM 876 C GLU A 971 -1.120 -10.155 -8.481 1.00 0.00 C ATOM 877 O GLU A 971 -0.764 -11.332 -8.461 1.00 0.00 O ATOM 878 CB GLU A 971 -0.220 -9.055 -10.565 1.00 0.00 C ATOM 879 CG GLU A 971 -0.513 -8.878 -12.056 1.00 0.00 C ATOM 880 CD GLU A 971 0.772 -8.967 -12.882 1.00 0.00 C ATOM 881 OE1 GLU A 971 1.449 -10.011 -12.766 1.00 0.00 O ATOM 882 OE2 GLU A 971 1.048 -7.989 -13.610 1.00 0.00 O ATOM 0 H GLU A 971 -1.918 -7.427 -9.746 1.00 0.00 H new ATOM 0 HA GLU A 971 -2.016 -10.193 -10.424 1.00 0.00 H new ATOM 0 HB2 GLU A 971 0.164 -8.122 -10.153 1.00 0.00 H new ATOM 0 HB3 GLU A 971 0.558 -9.806 -10.430 1.00 0.00 H new ATOM 0 HG2 GLU A 971 -1.215 -9.644 -12.386 1.00 0.00 H new ATOM 0 HG3 GLU A 971 -0.992 -7.913 -12.224 1.00 0.00 H new ATOM 889 N SER A 972 -1.226 -9.385 -7.409 1.00 0.00 N ATOM 890 CA SER A 972 -0.917 -9.898 -6.085 1.00 0.00 C ATOM 891 C SER A 972 -2.147 -10.586 -5.491 1.00 0.00 C ATOM 892 O SER A 972 -2.020 -11.479 -4.654 1.00 0.00 O ATOM 893 CB SER A 972 -0.435 -8.779 -5.159 1.00 0.00 C ATOM 894 OG SER A 972 0.965 -8.860 -4.908 1.00 0.00 O ATOM 0 H SER A 972 -1.522 -8.409 -7.430 1.00 0.00 H new ATOM 0 HA SER A 972 -0.111 -10.626 -6.180 1.00 0.00 H new ATOM 0 HB2 SER A 972 -0.668 -7.813 -5.606 1.00 0.00 H new ATOM 0 HB3 SER A 972 -0.976 -8.832 -4.214 1.00 0.00 H new ATOM 0 HG SER A 972 1.234 -8.128 -4.315 1.00 0.00 H new ATOM 900 N LEU A 973 -3.311 -10.145 -5.945 1.00 0.00 N ATOM 901 CA LEU A 973 -4.563 -10.707 -5.469 1.00 0.00 C ATOM 902 C LEU A 973 -4.421 -12.226 -5.348 1.00 0.00 C ATOM 903 O LEU A 973 -4.733 -12.801 -4.306 1.00 0.00 O ATOM 904 CB LEU A 973 -5.723 -10.267 -6.364 1.00 0.00 C ATOM 905 CG LEU A 973 -6.926 -9.651 -5.647 1.00 0.00 C ATOM 906 CD1 LEU A 973 -8.231 -10.001 -6.366 1.00 0.00 C ATOM 907 CD2 LEU A 973 -6.956 -10.061 -4.173 1.00 0.00 C ATOM 0 H LEU A 973 -3.413 -9.404 -6.638 1.00 0.00 H new ATOM 0 HA LEU A 973 -4.797 -10.328 -4.474 1.00 0.00 H new ATOM 0 HB2 LEU A 973 -5.345 -9.543 -7.085 1.00 0.00 H new ATOM 0 HB3 LEU A 973 -6.067 -11.132 -6.931 1.00 0.00 H new ATOM 0 HG LEU A 973 -6.822 -8.566 -5.677 1.00 0.00 H new ATOM 0 HD11 LEU A 973 -9.070 -9.551 -5.836 1.00 0.00 H new ATOM 0 HD12 LEU A 973 -8.198 -9.618 -7.386 1.00 0.00 H new ATOM 0 HD13 LEU A 973 -8.355 -11.084 -6.389 1.00 0.00 H new ATOM 0 HD21 LEU A 973 -7.821 -9.609 -3.687 1.00 0.00 H new ATOM 0 HD22 LEU A 973 -7.024 -11.146 -4.099 1.00 0.00 H new ATOM 0 HD23 LEU A 973 -6.045 -9.720 -3.682 1.00 0.00 H new ATOM 919 N PRO A 974 -3.939 -12.848 -6.457 1.00 0.00 N ATOM 920 CA PRO A 974 -3.752 -14.289 -6.485 1.00 0.00 C ATOM 921 C PRO A 974 -2.519 -14.698 -5.676 1.00 0.00 C ATOM 922 O PRO A 974 -2.520 -15.739 -5.020 1.00 0.00 O ATOM 923 CB PRO A 974 -3.639 -14.642 -7.959 1.00 0.00 C ATOM 924 CG PRO A 974 -3.302 -13.344 -8.674 1.00 0.00 C ATOM 925 CD PRO A 974 -3.559 -12.199 -7.708 1.00 0.00 C ATOM 0 HA PRO A 974 -4.577 -14.829 -6.022 1.00 0.00 H new ATOM 0 HB2 PRO A 974 -2.864 -15.391 -8.123 1.00 0.00 H new ATOM 0 HB3 PRO A 974 -4.573 -15.063 -8.333 1.00 0.00 H new ATOM 0 HG2 PRO A 974 -2.261 -13.345 -8.996 1.00 0.00 H new ATOM 0 HG3 PRO A 974 -3.913 -13.232 -9.570 1.00 0.00 H new ATOM 0 HD2 PRO A 974 -2.670 -11.582 -7.580 1.00 0.00 H new ATOM 0 HD3 PRO A 974 -4.351 -11.545 -8.071 1.00 0.00 H new ATOM 933 N VAL A 975 -1.497 -13.858 -5.749 1.00 0.00 N ATOM 934 CA VAL A 975 -0.261 -14.119 -5.032 1.00 0.00 C ATOM 935 C VAL A 975 -0.585 -14.493 -3.584 1.00 0.00 C ATOM 936 O VAL A 975 0.112 -15.304 -2.978 1.00 0.00 O ATOM 937 CB VAL A 975 0.673 -12.913 -5.144 1.00 0.00 C ATOM 938 CG1 VAL A 975 1.761 -12.961 -4.069 1.00 0.00 C ATOM 939 CG2 VAL A 975 1.288 -12.823 -6.542 1.00 0.00 C ATOM 0 H VAL A 975 -1.500 -12.996 -6.294 1.00 0.00 H new ATOM 0 HA VAL A 975 0.267 -14.964 -5.475 1.00 0.00 H new ATOM 0 HB VAL A 975 0.079 -12.014 -4.981 1.00 0.00 H new ATOM 0 HG11 VAL A 975 2.412 -12.092 -4.171 1.00 0.00 H new ATOM 0 HG12 VAL A 975 1.298 -12.954 -3.082 1.00 0.00 H new ATOM 0 HG13 VAL A 975 2.349 -13.871 -4.187 1.00 0.00 H new ATOM 0 HG21 VAL A 975 1.948 -11.957 -6.594 1.00 0.00 H new ATOM 0 HG22 VAL A 975 1.860 -13.728 -6.747 1.00 0.00 H new ATOM 0 HG23 VAL A 975 0.495 -12.720 -7.282 1.00 0.00 H new ATOM 949 N LEU A 976 -1.644 -13.882 -3.073 1.00 0.00 N ATOM 950 CA LEU A 976 -2.069 -14.140 -1.707 1.00 0.00 C ATOM 951 C LEU A 976 -3.387 -14.917 -1.726 1.00 0.00 C ATOM 952 O LEU A 976 -4.098 -14.916 -2.730 1.00 0.00 O ATOM 953 CB LEU A 976 -2.136 -12.835 -0.911 1.00 0.00 C ATOM 954 CG LEU A 976 -0.917 -11.917 -1.025 1.00 0.00 C ATOM 955 CD1 LEU A 976 0.383 -12.717 -0.923 1.00 0.00 C ATOM 956 CD2 LEU A 976 -0.977 -11.082 -2.305 1.00 0.00 C ATOM 0 H LEU A 976 -2.220 -13.210 -3.580 1.00 0.00 H new ATOM 0 HA LEU A 976 -1.338 -14.763 -1.192 1.00 0.00 H new ATOM 0 HB2 LEU A 976 -3.016 -12.280 -1.235 1.00 0.00 H new ATOM 0 HB3 LEU A 976 -2.284 -13.081 0.141 1.00 0.00 H new ATOM 0 HG LEU A 976 -0.934 -11.221 -0.186 1.00 0.00 H new ATOM 0 HD11 LEU A 976 1.234 -12.041 -1.007 1.00 0.00 H new ATOM 0 HD12 LEU A 976 0.420 -13.230 0.038 1.00 0.00 H new ATOM 0 HD13 LEU A 976 0.422 -13.451 -1.727 1.00 0.00 H new ATOM 0 HD21 LEU A 976 -0.099 -10.439 -2.361 1.00 0.00 H new ATOM 0 HD22 LEU A 976 -0.998 -11.744 -3.171 1.00 0.00 H new ATOM 0 HD23 LEU A 976 -1.877 -10.467 -2.297 1.00 0.00 H new ATOM 968 N PRO A 977 -3.682 -15.578 -0.575 1.00 0.00 N ATOM 969 CA PRO A 977 -4.902 -16.357 -0.450 1.00 0.00 C ATOM 970 C PRO A 977 -6.119 -15.445 -0.279 1.00 0.00 C ATOM 971 O PRO A 977 -5.978 -14.272 0.063 1.00 0.00 O ATOM 972 CB PRO A 977 -4.668 -17.266 0.745 1.00 0.00 C ATOM 973 CG PRO A 977 -3.522 -16.642 1.525 1.00 0.00 C ATOM 974 CD PRO A 977 -2.864 -15.601 0.634 1.00 0.00 C ATOM 0 HA PRO A 977 -5.120 -16.944 -1.342 1.00 0.00 H new ATOM 0 HB2 PRO A 977 -5.564 -17.341 1.361 1.00 0.00 H new ATOM 0 HB3 PRO A 977 -4.417 -18.277 0.424 1.00 0.00 H new ATOM 0 HG2 PRO A 977 -3.890 -16.182 2.442 1.00 0.00 H new ATOM 0 HG3 PRO A 977 -2.800 -17.404 1.819 1.00 0.00 H new ATOM 0 HD2 PRO A 977 -2.842 -14.624 1.116 1.00 0.00 H new ATOM 0 HD3 PRO A 977 -1.832 -15.868 0.409 1.00 0.00 H new ATOM 982 N ALA A 978 -7.288 -16.020 -0.525 1.00 0.00 N ATOM 983 CA ALA A 978 -8.529 -15.274 -0.402 1.00 0.00 C ATOM 984 C ALA A 978 -8.448 -14.355 0.819 1.00 0.00 C ATOM 985 O ALA A 978 -9.073 -13.296 0.846 1.00 0.00 O ATOM 986 CB ALA A 978 -9.705 -16.249 -0.322 1.00 0.00 C ATOM 0 H ALA A 978 -7.401 -16.993 -0.809 1.00 0.00 H new ATOM 0 HA ALA A 978 -8.687 -14.645 -1.278 1.00 0.00 H new ATOM 0 HB1 ALA A 978 -10.636 -15.689 -0.230 1.00 0.00 H new ATOM 0 HB2 ALA A 978 -9.735 -16.857 -1.226 1.00 0.00 H new ATOM 0 HB3 ALA A 978 -9.583 -16.896 0.547 1.00 0.00 H new ATOM 992 N SER A 979 -7.674 -14.795 1.800 1.00 0.00 N ATOM 993 CA SER A 979 -7.504 -14.026 3.021 1.00 0.00 C ATOM 994 C SER A 979 -7.194 -12.566 2.681 1.00 0.00 C ATOM 995 O SER A 979 -7.421 -11.674 3.496 1.00 0.00 O ATOM 996 CB SER A 979 -6.393 -14.615 3.893 1.00 0.00 C ATOM 997 OG SER A 979 -6.879 -15.035 5.164 1.00 0.00 O ATOM 0 H SER A 979 -7.158 -15.674 1.774 1.00 0.00 H new ATOM 0 HA SER A 979 -8.435 -14.071 3.586 1.00 0.00 H new ATOM 0 HB2 SER A 979 -5.940 -15.463 3.380 1.00 0.00 H new ATOM 0 HB3 SER A 979 -5.609 -13.871 4.032 1.00 0.00 H new ATOM 0 HG SER A 979 -6.140 -15.407 5.690 1.00 0.00 H new ATOM 1003 N THR A 980 -6.680 -12.369 1.476 1.00 0.00 N ATOM 1004 CA THR A 980 -6.337 -11.033 1.018 1.00 0.00 C ATOM 1005 C THR A 980 -7.448 -10.473 0.127 1.00 0.00 C ATOM 1006 O THR A 980 -7.182 -9.689 -0.783 1.00 0.00 O ATOM 1007 CB THR A 980 -4.977 -11.107 0.321 1.00 0.00 C ATOM 1008 OG1 THR A 980 -5.096 -12.226 -0.554 1.00 0.00 O ATOM 1009 CG2 THR A 980 -3.850 -11.500 1.277 1.00 0.00 C ATOM 0 H THR A 980 -6.493 -13.112 0.803 1.00 0.00 H new ATOM 0 HA THR A 980 -6.253 -10.338 1.853 1.00 0.00 H new ATOM 0 HB THR A 980 -4.748 -10.142 -0.132 1.00 0.00 H new ATOM 0 HG1 THR A 980 -4.930 -13.052 -0.053 1.00 0.00 H new ATOM 0 HG21 THR A 980 -2.907 -11.538 0.732 1.00 0.00 H new ATOM 0 HG22 THR A 980 -3.777 -10.763 2.077 1.00 0.00 H new ATOM 0 HG23 THR A 980 -4.061 -12.480 1.705 1.00 0.00 H new ATOM 1017 N HIS A 981 -8.668 -10.898 0.419 1.00 0.00 N ATOM 1018 CA HIS A 981 -9.820 -10.449 -0.345 1.00 0.00 C ATOM 1019 C HIS A 981 -10.348 -9.140 0.246 1.00 0.00 C ATOM 1020 O HIS A 981 -9.809 -8.069 -0.027 1.00 0.00 O ATOM 1021 CB HIS A 981 -10.887 -11.543 -0.412 1.00 0.00 C ATOM 1022 CG HIS A 981 -10.700 -12.515 -1.553 1.00 0.00 C ATOM 1023 ND1 HIS A 981 -9.626 -12.741 -2.363 1.00 0.00 N flip ATOM 1024 CD2 HIS A 981 -11.691 -13.388 -1.964 1.00 0.00 C flip ATOM 1025 CE1 HIS A 981 -9.945 -13.701 -3.223 1.00 0.00 C flip ATOM 1026 NE2 HIS A 981 -11.225 -14.103 -2.977 1.00 0.00 N flip ATOM 0 H HIS A 981 -8.884 -11.549 1.174 1.00 0.00 H new ATOM 0 HA HIS A 981 -9.523 -10.249 -1.375 1.00 0.00 H new ATOM 0 HB2 HIS A 981 -10.885 -12.096 0.527 1.00 0.00 H new ATOM 0 HB3 HIS A 981 -11.867 -11.075 -0.504 1.00 0.00 H new ATOM 0 HD2 HIS A 981 -12.677 -13.472 -1.532 1.00 0.00 H new ATOM 0 HE1 HIS A 981 -9.298 -14.098 -3.991 1.00 0.00 H new ATOM 0 HE2 HIS A 981 -11.734 -14.827 -3.484 1.00 0.00 H new ATOM 1034 N ARG A 982 -11.398 -9.270 1.044 1.00 0.00 N ATOM 1035 CA ARG A 982 -12.006 -8.111 1.676 1.00 0.00 C ATOM 1036 C ARG A 982 -10.953 -7.315 2.449 1.00 0.00 C ATOM 1037 O ARG A 982 -10.970 -6.085 2.442 1.00 0.00 O ATOM 1038 CB ARG A 982 -13.124 -8.528 2.632 1.00 0.00 C ATOM 1039 CG ARG A 982 -14.409 -8.850 1.866 1.00 0.00 C ATOM 1040 CD ARG A 982 -14.665 -10.358 1.834 1.00 0.00 C ATOM 1041 NE ARG A 982 -15.230 -10.748 0.523 1.00 0.00 N ATOM 1042 CZ ARG A 982 -16.440 -10.374 0.085 1.00 0.00 C ATOM 1043 NH1 ARG A 982 -17.219 -9.599 0.851 1.00 0.00 N ATOM 1044 NH2 ARG A 982 -16.870 -10.775 -1.119 1.00 0.00 N ATOM 0 H ARG A 982 -11.843 -10.160 1.267 1.00 0.00 H new ATOM 0 HA ARG A 982 -12.431 -7.489 0.888 1.00 0.00 H new ATOM 0 HB2 ARG A 982 -12.810 -9.400 3.206 1.00 0.00 H new ATOM 0 HB3 ARG A 982 -13.314 -7.727 3.347 1.00 0.00 H new ATOM 0 HG2 ARG A 982 -15.253 -8.344 2.335 1.00 0.00 H new ATOM 0 HG3 ARG A 982 -14.335 -8.468 0.848 1.00 0.00 H new ATOM 0 HD2 ARG A 982 -13.735 -10.897 2.013 1.00 0.00 H new ATOM 0 HD3 ARG A 982 -15.353 -10.635 2.633 1.00 0.00 H new ATOM 0 HE ARG A 982 -14.663 -11.338 -0.085 1.00 0.00 H new ATOM 0 HH11 ARG A 982 -16.891 -9.294 1.767 1.00 0.00 H new ATOM 0 HH12 ARG A 982 -18.140 -9.314 0.518 1.00 0.00 H new ATOM 0 HH21 ARG A 982 -16.276 -11.365 -1.702 1.00 0.00 H new ATOM 0 HH22 ARG A 982 -17.791 -10.490 -1.452 1.00 0.00 H new ATOM 1058 N GLU A 983 -10.061 -8.049 3.098 1.00 0.00 N ATOM 1059 CA GLU A 983 -9.002 -7.427 3.875 1.00 0.00 C ATOM 1060 C GLU A 983 -8.209 -6.450 3.005 1.00 0.00 C ATOM 1061 O GLU A 983 -7.879 -5.349 3.444 1.00 0.00 O ATOM 1062 CB GLU A 983 -8.083 -8.482 4.493 1.00 0.00 C ATOM 1063 CG GLU A 983 -8.467 -8.761 5.947 1.00 0.00 C ATOM 1064 CD GLU A 983 -7.740 -9.998 6.479 1.00 0.00 C ATOM 1065 OE1 GLU A 983 -8.079 -11.103 6.005 1.00 0.00 O ATOM 1066 OE2 GLU A 983 -6.862 -9.809 7.348 1.00 0.00 O ATOM 0 H GLU A 983 -10.050 -9.069 3.102 1.00 0.00 H new ATOM 0 HA GLU A 983 -9.458 -6.867 4.692 1.00 0.00 H new ATOM 0 HB2 GLU A 983 -8.142 -9.404 3.915 1.00 0.00 H new ATOM 0 HB3 GLU A 983 -7.049 -8.141 4.445 1.00 0.00 H new ATOM 0 HG2 GLU A 983 -8.221 -7.897 6.564 1.00 0.00 H new ATOM 0 HG3 GLU A 983 -9.544 -8.909 6.020 1.00 0.00 H new ATOM 1073 N ILE A 984 -7.926 -6.888 1.787 1.00 0.00 N ATOM 1074 CA ILE A 984 -7.178 -6.066 0.851 1.00 0.00 C ATOM 1075 C ILE A 984 -8.081 -4.950 0.324 1.00 0.00 C ATOM 1076 O ILE A 984 -7.624 -3.831 0.095 1.00 0.00 O ATOM 1077 CB ILE A 984 -6.563 -6.932 -0.250 1.00 0.00 C ATOM 1078 CG1 ILE A 984 -5.413 -7.781 0.296 1.00 0.00 C ATOM 1079 CG2 ILE A 984 -6.128 -6.077 -1.442 1.00 0.00 C ATOM 1080 CD1 ILE A 984 -4.325 -7.976 -0.761 1.00 0.00 C ATOM 0 H ILE A 984 -8.201 -7.802 1.427 1.00 0.00 H new ATOM 0 HA ILE A 984 -6.338 -5.586 1.353 1.00 0.00 H new ATOM 0 HB ILE A 984 -7.328 -7.620 -0.609 1.00 0.00 H new ATOM 0 HG12 ILE A 984 -4.987 -7.300 1.177 1.00 0.00 H new ATOM 0 HG13 ILE A 984 -5.793 -8.752 0.615 1.00 0.00 H new ATOM 0 HG21 ILE A 984 -5.694 -6.717 -2.210 1.00 0.00 H new ATOM 0 HG22 ILE A 984 -6.993 -5.555 -1.851 1.00 0.00 H new ATOM 0 HG23 ILE A 984 -5.386 -5.348 -1.116 1.00 0.00 H new ATOM 0 HD11 ILE A 984 -3.520 -8.583 -0.347 1.00 0.00 H new ATOM 0 HD12 ILE A 984 -4.748 -8.479 -1.630 1.00 0.00 H new ATOM 0 HD13 ILE A 984 -3.930 -7.005 -1.060 1.00 0.00 H new ATOM 1092 N GLU A 985 -9.349 -5.293 0.145 1.00 0.00 N ATOM 1093 CA GLU A 985 -10.321 -4.334 -0.351 1.00 0.00 C ATOM 1094 C GLU A 985 -10.515 -3.203 0.661 1.00 0.00 C ATOM 1095 O GLU A 985 -10.741 -2.055 0.280 1.00 0.00 O ATOM 1096 CB GLU A 985 -11.651 -5.017 -0.672 1.00 0.00 C ATOM 1097 CG GLU A 985 -11.550 -5.837 -1.960 1.00 0.00 C ATOM 1098 CD GLU A 985 -11.690 -4.942 -3.192 1.00 0.00 C ATOM 1099 OE1 GLU A 985 -10.666 -4.333 -3.571 1.00 0.00 O ATOM 1100 OE2 GLU A 985 -12.818 -4.886 -3.728 1.00 0.00 O ATOM 0 H GLU A 985 -9.725 -6.222 0.335 1.00 0.00 H new ATOM 0 HA GLU A 985 -9.939 -3.905 -1.277 1.00 0.00 H new ATOM 0 HB2 GLU A 985 -11.939 -5.666 0.155 1.00 0.00 H new ATOM 0 HB3 GLU A 985 -12.434 -4.266 -0.775 1.00 0.00 H new ATOM 0 HG2 GLU A 985 -10.592 -6.356 -1.990 1.00 0.00 H new ATOM 0 HG3 GLU A 985 -12.327 -6.601 -1.971 1.00 0.00 H new ATOM 1107 N MET A 986 -10.421 -3.566 1.932 1.00 0.00 N ATOM 1108 CA MET A 986 -10.584 -2.597 3.002 1.00 0.00 C ATOM 1109 C MET A 986 -9.421 -1.603 3.023 1.00 0.00 C ATOM 1110 O MET A 986 -9.627 -0.404 3.204 1.00 0.00 O ATOM 1111 CB MET A 986 -10.658 -3.326 4.345 1.00 0.00 C ATOM 1112 CG MET A 986 -12.111 -3.530 4.779 1.00 0.00 C ATOM 1113 SD MET A 986 -12.454 -5.272 4.964 1.00 0.00 S ATOM 1114 CE MET A 986 -13.823 -5.440 3.832 1.00 0.00 C ATOM 0 H MET A 986 -10.234 -4.519 2.245 1.00 0.00 H new ATOM 0 HA MET A 986 -11.507 -2.044 2.828 1.00 0.00 H new ATOM 0 HB2 MET A 986 -10.159 -4.292 4.266 1.00 0.00 H new ATOM 0 HB3 MET A 986 -10.125 -2.753 5.104 1.00 0.00 H new ATOM 0 HG2 MET A 986 -12.294 -3.013 5.721 1.00 0.00 H new ATOM 0 HG3 MET A 986 -12.784 -3.095 4.041 1.00 0.00 H new ATOM 0 HE1 MET A 986 -14.465 -6.259 4.156 1.00 0.00 H new ATOM 0 HE2 MET A 986 -14.398 -4.514 3.816 1.00 0.00 H new ATOM 0 HE3 MET A 986 -13.444 -5.649 2.832 1.00 0.00 H new ATOM 1124 N ALA A 987 -8.224 -2.139 2.836 1.00 0.00 N ATOM 1125 CA ALA A 987 -7.027 -1.314 2.831 1.00 0.00 C ATOM 1126 C ALA A 987 -6.960 -0.528 1.521 1.00 0.00 C ATOM 1127 O ALA A 987 -6.433 0.583 1.486 1.00 0.00 O ATOM 1128 CB ALA A 987 -5.797 -2.199 3.044 1.00 0.00 C ATOM 0 H ALA A 987 -8.057 -3.134 2.687 1.00 0.00 H new ATOM 0 HA ALA A 987 -7.055 -0.592 3.647 1.00 0.00 H new ATOM 0 HB1 ALA A 987 -4.899 -1.581 3.040 1.00 0.00 H new ATOM 0 HB2 ALA A 987 -5.880 -2.713 4.002 1.00 0.00 H new ATOM 0 HB3 ALA A 987 -5.735 -2.934 2.242 1.00 0.00 H new ATOM 1134 N GLN A 988 -7.503 -1.134 0.475 1.00 0.00 N ATOM 1135 CA GLN A 988 -7.511 -0.504 -0.834 1.00 0.00 C ATOM 1136 C GLN A 988 -8.399 0.742 -0.818 1.00 0.00 C ATOM 1137 O GLN A 988 -7.952 1.832 -1.173 1.00 0.00 O ATOM 1138 CB GLN A 988 -7.967 -1.488 -1.913 1.00 0.00 C ATOM 1139 CG GLN A 988 -6.788 -2.305 -2.444 1.00 0.00 C ATOM 1140 CD GLN A 988 -6.960 -2.612 -3.933 1.00 0.00 C ATOM 1141 OE1 GLN A 988 -6.273 -2.076 -4.787 1.00 0.00 O ATOM 1142 NE2 GLN A 988 -7.912 -3.502 -4.196 1.00 0.00 N ATOM 0 H GLN A 988 -7.941 -2.055 0.508 1.00 0.00 H new ATOM 0 HA GLN A 988 -6.493 -0.198 -1.075 1.00 0.00 H new ATOM 0 HB2 GLN A 988 -8.723 -2.158 -1.503 1.00 0.00 H new ATOM 0 HB3 GLN A 988 -8.435 -0.943 -2.733 1.00 0.00 H new ATOM 0 HG2 GLN A 988 -5.860 -1.755 -2.287 1.00 0.00 H new ATOM 0 HG3 GLN A 988 -6.705 -3.237 -1.884 1.00 0.00 H new ATOM 0 HE21 GLN A 988 -8.451 -3.913 -3.434 1.00 0.00 H new ATOM 0 HE22 GLN A 988 -8.104 -3.774 -5.160 1.00 0.00 H new ATOM 1151 N LYS A 989 -9.641 0.540 -0.402 1.00 0.00 N ATOM 1152 CA LYS A 989 -10.595 1.633 -0.334 1.00 0.00 C ATOM 1153 C LYS A 989 -10.002 2.772 0.498 1.00 0.00 C ATOM 1154 O LYS A 989 -10.230 3.944 0.205 1.00 0.00 O ATOM 1155 CB LYS A 989 -11.946 1.134 0.181 1.00 0.00 C ATOM 1156 CG LYS A 989 -12.948 0.981 -0.965 1.00 0.00 C ATOM 1157 CD LYS A 989 -14.376 0.853 -0.433 1.00 0.00 C ATOM 1158 CE LYS A 989 -15.309 0.275 -1.498 1.00 0.00 C ATOM 1159 NZ LYS A 989 -16.711 0.669 -1.229 1.00 0.00 N ATOM 0 H LYS A 989 -10.008 -0.365 -0.109 1.00 0.00 H new ATOM 0 HA LYS A 989 -10.787 2.032 -1.330 1.00 0.00 H new ATOM 0 HB2 LYS A 989 -11.816 0.176 0.685 1.00 0.00 H new ATOM 0 HB3 LYS A 989 -12.338 1.833 0.920 1.00 0.00 H new ATOM 0 HG2 LYS A 989 -12.880 1.842 -1.629 1.00 0.00 H new ATOM 0 HG3 LYS A 989 -12.697 0.101 -1.557 1.00 0.00 H new ATOM 0 HD2 LYS A 989 -14.383 0.212 0.448 1.00 0.00 H new ATOM 0 HD3 LYS A 989 -14.740 1.831 -0.118 1.00 0.00 H new ATOM 0 HE2 LYS A 989 -15.008 0.629 -2.484 1.00 0.00 H new ATOM 0 HE3 LYS A 989 -15.227 -0.812 -1.511 1.00 0.00 H new ATOM 0 HZ1 LYS A 989 -17.331 0.268 -1.962 1.00 0.00 H new ATOM 0 HZ2 LYS A 989 -17.000 0.310 -0.297 1.00 0.00 H new ATOM 0 HZ3 LYS A 989 -16.788 1.706 -1.240 1.00 0.00 H new ATOM 1173 N LEU A 990 -9.251 2.386 1.520 1.00 0.00 N ATOM 1174 CA LEU A 990 -8.624 3.360 2.397 1.00 0.00 C ATOM 1175 C LEU A 990 -7.586 4.159 1.605 1.00 0.00 C ATOM 1176 O LEU A 990 -7.724 5.370 1.441 1.00 0.00 O ATOM 1177 CB LEU A 990 -8.053 2.673 3.639 1.00 0.00 C ATOM 1178 CG LEU A 990 -8.491 3.251 4.986 1.00 0.00 C ATOM 1179 CD1 LEU A 990 -8.062 2.342 6.139 1.00 0.00 C ATOM 1180 CD2 LEU A 990 -7.978 4.681 5.162 1.00 0.00 C ATOM 0 H LEU A 990 -9.063 1.413 1.760 1.00 0.00 H new ATOM 0 HA LEU A 990 -9.363 4.072 2.765 1.00 0.00 H new ATOM 0 HB2 LEU A 990 -8.334 1.620 3.609 1.00 0.00 H new ATOM 0 HB3 LEU A 990 -6.965 2.714 3.585 1.00 0.00 H new ATOM 0 HG LEU A 990 -9.580 3.296 5.000 1.00 0.00 H new ATOM 0 HD11 LEU A 990 -8.386 2.776 7.085 1.00 0.00 H new ATOM 0 HD12 LEU A 990 -8.517 1.359 6.016 1.00 0.00 H new ATOM 0 HD13 LEU A 990 -6.977 2.242 6.139 1.00 0.00 H new ATOM 0 HD21 LEU A 990 -8.303 5.068 6.128 1.00 0.00 H new ATOM 0 HD22 LEU A 990 -6.889 4.685 5.118 1.00 0.00 H new ATOM 0 HD23 LEU A 990 -8.376 5.311 4.366 1.00 0.00 H new ATOM 1192 N LEU A 991 -6.572 3.448 1.136 1.00 0.00 N ATOM 1193 CA LEU A 991 -5.512 4.076 0.365 1.00 0.00 C ATOM 1194 C LEU A 991 -6.130 4.978 -0.705 1.00 0.00 C ATOM 1195 O LEU A 991 -5.745 6.138 -0.843 1.00 0.00 O ATOM 1196 CB LEU A 991 -4.560 3.019 -0.197 1.00 0.00 C ATOM 1197 CG LEU A 991 -3.719 3.446 -1.402 1.00 0.00 C ATOM 1198 CD1 LEU A 991 -2.266 2.992 -1.245 1.00 0.00 C ATOM 1199 CD2 LEU A 991 -4.338 2.945 -2.708 1.00 0.00 C ATOM 0 H LEU A 991 -6.461 2.444 1.275 1.00 0.00 H new ATOM 0 HA LEU A 991 -4.902 4.713 1.005 1.00 0.00 H new ATOM 0 HB2 LEU A 991 -3.885 2.706 0.600 1.00 0.00 H new ATOM 0 HB3 LEU A 991 -5.146 2.144 -0.480 1.00 0.00 H new ATOM 0 HG LEU A 991 -3.713 4.535 -1.446 1.00 0.00 H new ATOM 0 HD11 LEU A 991 -1.690 3.308 -2.115 1.00 0.00 H new ATOM 0 HD12 LEU A 991 -1.840 3.438 -0.346 1.00 0.00 H new ATOM 0 HD13 LEU A 991 -2.231 1.906 -1.162 1.00 0.00 H new ATOM 0 HD21 LEU A 991 -3.721 3.262 -3.548 1.00 0.00 H new ATOM 0 HD22 LEU A 991 -4.395 1.857 -2.690 1.00 0.00 H new ATOM 0 HD23 LEU A 991 -5.340 3.359 -2.818 1.00 0.00 H new ATOM 1211 N ASN A 992 -7.079 4.410 -1.435 1.00 0.00 N ATOM 1212 CA ASN A 992 -7.755 5.149 -2.488 1.00 0.00 C ATOM 1213 C ASN A 992 -8.454 6.367 -1.883 1.00 0.00 C ATOM 1214 O ASN A 992 -8.298 7.484 -2.374 1.00 0.00 O ATOM 1215 CB ASN A 992 -8.817 4.285 -3.172 1.00 0.00 C ATOM 1216 CG ASN A 992 -9.040 4.733 -4.618 1.00 0.00 C ATOM 1217 OD1 ASN A 992 -8.112 4.926 -5.386 1.00 0.00 O ATOM 1218 ND2 ASN A 992 -10.320 4.887 -4.945 1.00 0.00 N ATOM 0 H ASN A 992 -7.396 3.447 -1.318 1.00 0.00 H new ATOM 0 HA ASN A 992 -7.007 5.450 -3.222 1.00 0.00 H new ATOM 0 HB2 ASN A 992 -8.507 3.240 -3.155 1.00 0.00 H new ATOM 0 HB3 ASN A 992 -9.754 4.349 -2.619 1.00 0.00 H new ATOM 0 HD21 ASN A 992 -10.573 5.184 -5.887 1.00 0.00 H new ATOM 0 HD22 ASN A 992 -11.048 4.709 -4.253 1.00 0.00 H new ATOM 1225 N SER A 993 -9.211 6.111 -0.826 1.00 0.00 N ATOM 1226 CA SER A 993 -9.935 7.174 -0.149 1.00 0.00 C ATOM 1227 C SER A 993 -8.993 8.342 0.148 1.00 0.00 C ATOM 1228 O SER A 993 -9.174 9.439 -0.378 1.00 0.00 O ATOM 1229 CB SER A 993 -10.575 6.666 1.145 1.00 0.00 C ATOM 1230 OG SER A 993 -11.971 6.427 0.991 1.00 0.00 O ATOM 0 H SER A 993 -9.339 5.183 -0.422 1.00 0.00 H new ATOM 0 HA SER A 993 -10.733 7.518 -0.807 1.00 0.00 H new ATOM 0 HB2 SER A 993 -10.082 5.745 1.457 1.00 0.00 H new ATOM 0 HB3 SER A 993 -10.417 7.396 1.939 1.00 0.00 H new ATOM 0 HG SER A 993 -12.343 6.102 1.838 1.00 0.00 H new ATOM 1236 N ASP A 994 -8.007 8.067 0.989 1.00 0.00 N ATOM 1237 CA ASP A 994 -7.036 9.081 1.362 1.00 0.00 C ATOM 1238 C ASP A 994 -6.377 9.639 0.099 1.00 0.00 C ATOM 1239 O ASP A 994 -6.044 10.822 0.039 1.00 0.00 O ATOM 1240 CB ASP A 994 -5.937 8.493 2.249 1.00 0.00 C ATOM 1241 CG ASP A 994 -6.255 8.471 3.745 1.00 0.00 C ATOM 1242 OD1 ASP A 994 -7.208 7.751 4.113 1.00 0.00 O ATOM 1243 OD2 ASP A 994 -5.537 9.176 4.488 1.00 0.00 O ATOM 0 H ASP A 994 -7.860 7.156 1.423 1.00 0.00 H new ATOM 0 HA ASP A 994 -7.560 9.864 1.910 1.00 0.00 H new ATOM 0 HB2 ASP A 994 -5.733 7.474 1.921 1.00 0.00 H new ATOM 0 HB3 ASP A 994 -5.022 9.066 2.096 1.00 0.00 H new ATOM 1248 N LEU A 995 -6.208 8.761 -0.879 1.00 0.00 N ATOM 1249 CA LEU A 995 -5.594 9.151 -2.137 1.00 0.00 C ATOM 1250 C LEU A 995 -6.348 10.349 -2.717 1.00 0.00 C ATOM 1251 O LEU A 995 -5.761 11.405 -2.948 1.00 0.00 O ATOM 1252 CB LEU A 995 -5.515 7.955 -3.087 1.00 0.00 C ATOM 1253 CG LEU A 995 -5.894 8.229 -4.544 1.00 0.00 C ATOM 1254 CD1 LEU A 995 -5.154 9.456 -5.081 1.00 0.00 C ATOM 1255 CD2 LEU A 995 -5.660 6.993 -5.414 1.00 0.00 C ATOM 0 H LEU A 995 -6.486 7.781 -0.826 1.00 0.00 H new ATOM 0 HA LEU A 995 -4.564 9.470 -1.977 1.00 0.00 H new ATOM 0 HB2 LEU A 995 -4.497 7.565 -3.064 1.00 0.00 H new ATOM 0 HB3 LEU A 995 -6.166 7.169 -2.705 1.00 0.00 H new ATOM 0 HG LEU A 995 -6.960 8.452 -4.583 1.00 0.00 H new ATOM 0 HD11 LEU A 995 -5.441 9.629 -6.118 1.00 0.00 H new ATOM 0 HD12 LEU A 995 -5.414 10.329 -4.482 1.00 0.00 H new ATOM 0 HD13 LEU A 995 -4.079 9.286 -5.026 1.00 0.00 H new ATOM 0 HD21 LEU A 995 -5.937 7.215 -6.444 1.00 0.00 H new ATOM 0 HD22 LEU A 995 -4.607 6.714 -5.374 1.00 0.00 H new ATOM 0 HD23 LEU A 995 -6.268 6.168 -5.045 1.00 0.00 H new ATOM 1267 N ALA A 996 -7.639 10.145 -2.937 1.00 0.00 N ATOM 1268 CA ALA A 996 -8.480 11.195 -3.486 1.00 0.00 C ATOM 1269 C ALA A 996 -8.307 12.468 -2.655 1.00 0.00 C ATOM 1270 O ALA A 996 -7.972 13.523 -3.191 1.00 0.00 O ATOM 1271 CB ALA A 996 -9.933 10.718 -3.526 1.00 0.00 C ATOM 0 H ALA A 996 -8.123 9.268 -2.745 1.00 0.00 H new ATOM 0 HA ALA A 996 -8.185 11.427 -4.509 1.00 0.00 H new ATOM 0 HB1 ALA A 996 -10.563 11.506 -3.938 1.00 0.00 H new ATOM 0 HB2 ALA A 996 -10.007 9.829 -4.153 1.00 0.00 H new ATOM 0 HB3 ALA A 996 -10.265 10.478 -2.516 1.00 0.00 H new ATOM 1277 N GLU A 997 -8.543 12.327 -1.359 1.00 0.00 N ATOM 1278 CA GLU A 997 -8.418 13.452 -0.449 1.00 0.00 C ATOM 1279 C GLU A 997 -7.057 14.130 -0.626 1.00 0.00 C ATOM 1280 O GLU A 997 -6.948 15.349 -0.512 1.00 0.00 O ATOM 1281 CB GLU A 997 -8.625 13.010 1.001 1.00 0.00 C ATOM 1282 CG GLU A 997 -8.926 14.210 1.902 1.00 0.00 C ATOM 1283 CD GLU A 997 -10.383 14.192 2.370 1.00 0.00 C ATOM 1284 OE1 GLU A 997 -10.675 13.395 3.287 1.00 0.00 O ATOM 1285 OE2 GLU A 997 -11.171 14.977 1.799 1.00 0.00 O ATOM 0 H GLU A 997 -8.820 11.450 -0.918 1.00 0.00 H new ATOM 0 HA GLU A 997 -9.197 14.176 -0.689 1.00 0.00 H new ATOM 0 HB2 GLU A 997 -9.447 12.296 1.054 1.00 0.00 H new ATOM 0 HB3 GLU A 997 -7.733 12.496 1.359 1.00 0.00 H new ATOM 0 HG2 GLU A 997 -8.262 14.196 2.767 1.00 0.00 H new ATOM 0 HG3 GLU A 997 -8.725 15.135 1.361 1.00 0.00 H new ATOM 1292 N LEU A 998 -6.055 13.309 -0.903 1.00 0.00 N ATOM 1293 CA LEU A 998 -4.706 13.813 -1.097 1.00 0.00 C ATOM 1294 C LEU A 998 -4.656 14.640 -2.384 1.00 0.00 C ATOM 1295 O LEU A 998 -4.163 15.767 -2.383 1.00 0.00 O ATOM 1296 CB LEU A 998 -3.695 12.666 -1.064 1.00 0.00 C ATOM 1297 CG LEU A 998 -2.250 13.054 -0.744 1.00 0.00 C ATOM 1298 CD1 LEU A 998 -1.717 14.067 -1.758 1.00 0.00 C ATOM 1299 CD2 LEU A 998 -2.125 13.562 0.694 1.00 0.00 C ATOM 0 H LEU A 998 -6.150 12.298 -0.998 1.00 0.00 H new ATOM 0 HA LEU A 998 -4.426 14.477 -0.279 1.00 0.00 H new ATOM 0 HB2 LEU A 998 -4.027 11.937 -0.325 1.00 0.00 H new ATOM 0 HB3 LEU A 998 -3.710 12.167 -2.033 1.00 0.00 H new ATOM 0 HG LEU A 998 -1.630 12.161 -0.825 1.00 0.00 H new ATOM 0 HD11 LEU A 998 -0.688 14.326 -1.507 1.00 0.00 H new ATOM 0 HD12 LEU A 998 -1.749 13.633 -2.757 1.00 0.00 H new ATOM 0 HD13 LEU A 998 -2.333 14.966 -1.733 1.00 0.00 H new ATOM 0 HD21 LEU A 998 -1.088 13.831 0.896 1.00 0.00 H new ATOM 0 HD22 LEU A 998 -2.760 14.438 0.827 1.00 0.00 H new ATOM 0 HD23 LEU A 998 -2.438 12.779 1.385 1.00 0.00 H new ATOM 1311 N ILE A 999 -5.173 14.048 -3.450 1.00 0.00 N ATOM 1312 CA ILE A 999 -5.194 14.716 -4.741 1.00 0.00 C ATOM 1313 C ILE A 999 -5.893 16.070 -4.598 1.00 0.00 C ATOM 1314 O ILE A 999 -5.417 17.076 -5.122 1.00 0.00 O ATOM 1315 CB ILE A 999 -5.819 13.810 -5.803 1.00 0.00 C ATOM 1316 CG1 ILE A 999 -5.008 12.523 -5.973 1.00 0.00 C ATOM 1317 CG2 ILE A 999 -5.993 14.556 -7.127 1.00 0.00 C ATOM 1318 CD1 ILE A 999 -3.755 12.772 -6.815 1.00 0.00 C ATOM 0 H ILE A 999 -5.581 13.113 -3.447 1.00 0.00 H new ATOM 0 HA ILE A 999 -4.179 14.915 -5.084 1.00 0.00 H new ATOM 0 HB ILE A 999 -6.813 13.521 -5.463 1.00 0.00 H new ATOM 0 HG12 ILE A 999 -4.722 12.137 -4.994 1.00 0.00 H new ATOM 0 HG13 ILE A 999 -5.625 11.760 -6.449 1.00 0.00 H new ATOM 0 HG21 ILE A 999 -6.439 13.889 -7.865 1.00 0.00 H new ATOM 0 HG22 ILE A 999 -6.643 15.418 -6.976 1.00 0.00 H new ATOM 0 HG23 ILE A 999 -5.020 14.894 -7.485 1.00 0.00 H new ATOM 0 HD11 ILE A 999 -3.197 11.842 -6.921 1.00 0.00 H new ATOM 0 HD12 ILE A 999 -4.045 13.135 -7.801 1.00 0.00 H new ATOM 0 HD13 ILE A 999 -3.129 13.517 -6.324 1.00 0.00 H new ATOM 1330 N ASN A1000 -7.010 16.051 -3.887 1.00 0.00 N ATOM 1331 CA ASN A1000 -7.779 17.264 -3.670 1.00 0.00 C ATOM 1332 C ASN A1000 -6.948 18.249 -2.846 1.00 0.00 C ATOM 1333 O ASN A1000 -6.776 19.402 -3.238 1.00 0.00 O ATOM 1334 CB ASN A1000 -9.066 16.969 -2.896 1.00 0.00 C ATOM 1335 CG ASN A1000 -10.234 17.796 -3.439 1.00 0.00 C ATOM 1336 OD1 ASN A1000 -10.241 19.015 -3.391 1.00 0.00 O ATOM 1337 ND2 ASN A1000 -11.218 17.067 -3.957 1.00 0.00 N ATOM 0 H ASN A1000 -7.401 15.215 -3.454 1.00 0.00 H new ATOM 0 HA ASN A1000 -8.031 17.682 -4.645 1.00 0.00 H new ATOM 0 HB2 ASN A1000 -9.303 15.907 -2.968 1.00 0.00 H new ATOM 0 HB3 ASN A1000 -8.918 17.192 -1.839 1.00 0.00 H new ATOM 0 HD21 ASN A1000 -12.042 17.525 -4.346 1.00 0.00 H new ATOM 0 HD22 ASN A1000 -11.149 16.049 -3.966 1.00 0.00 H new ATOM 1344 N LYS A1001 -6.453 17.758 -1.718 1.00 0.00 N ATOM 1345 CA LYS A1001 -5.644 18.581 -0.836 1.00 0.00 C ATOM 1346 C LYS A1001 -4.723 19.468 -1.675 1.00 0.00 C ATOM 1347 O LYS A1001 -4.466 20.617 -1.318 1.00 0.00 O ATOM 1348 CB LYS A1001 -4.901 17.708 0.178 1.00 0.00 C ATOM 1349 CG LYS A1001 -5.150 18.195 1.607 1.00 0.00 C ATOM 1350 CD LYS A1001 -6.448 17.608 2.167 1.00 0.00 C ATOM 1351 CE LYS A1001 -7.136 18.600 3.107 1.00 0.00 C ATOM 1352 NZ LYS A1001 -8.359 19.148 2.477 1.00 0.00 N ATOM 0 H LYS A1001 -6.597 16.801 -1.396 1.00 0.00 H new ATOM 0 HA LYS A1001 -6.277 19.245 -0.248 1.00 0.00 H new ATOM 0 HB2 LYS A1001 -5.228 16.673 0.081 1.00 0.00 H new ATOM 0 HB3 LYS A1001 -3.832 17.726 -0.035 1.00 0.00 H new ATOM 0 HG2 LYS A1001 -4.313 17.909 2.244 1.00 0.00 H new ATOM 0 HG3 LYS A1001 -5.203 19.284 1.620 1.00 0.00 H new ATOM 0 HD2 LYS A1001 -7.119 17.352 1.347 1.00 0.00 H new ATOM 0 HD3 LYS A1001 -6.232 16.683 2.702 1.00 0.00 H new ATOM 0 HE2 LYS A1001 -7.393 18.105 4.043 1.00 0.00 H new ATOM 0 HE3 LYS A1001 -6.451 19.412 3.353 1.00 0.00 H new ATOM 0 HZ1 LYS A1001 -8.472 20.146 2.748 1.00 0.00 H new ATOM 0 HZ2 LYS A1001 -8.278 19.078 1.443 1.00 0.00 H new ATOM 0 HZ3 LYS A1001 -9.187 18.606 2.797 1.00 0.00 H new ATOM 1366 N MET A1002 -4.250 18.902 -2.776 1.00 0.00 N ATOM 1367 CA MET A1002 -3.363 19.627 -3.669 1.00 0.00 C ATOM 1368 C MET A1002 -4.136 20.662 -4.489 1.00 0.00 C ATOM 1369 O MET A1002 -3.743 21.826 -4.555 1.00 0.00 O ATOM 1370 CB MET A1002 -2.670 18.642 -4.613 1.00 0.00 C ATOM 1371 CG MET A1002 -2.028 19.373 -5.793 1.00 0.00 C ATOM 1372 SD MET A1002 -3.200 19.519 -7.132 1.00 0.00 S ATOM 1373 CE MET A1002 -2.850 18.010 -8.017 1.00 0.00 C ATOM 0 H MET A1002 -4.465 17.949 -3.070 1.00 0.00 H new ATOM 0 HA MET A1002 -2.620 20.150 -3.066 1.00 0.00 H new ATOM 0 HB2 MET A1002 -1.908 18.085 -4.068 1.00 0.00 H new ATOM 0 HB3 MET A1002 -3.394 17.915 -4.981 1.00 0.00 H new ATOM 0 HG2 MET A1002 -1.695 20.363 -5.481 1.00 0.00 H new ATOM 0 HG3 MET A1002 -1.144 18.831 -6.130 1.00 0.00 H new ATOM 0 HE1 MET A1002 -3.322 18.046 -8.999 1.00 0.00 H new ATOM 0 HE2 MET A1002 -1.772 17.900 -8.137 1.00 0.00 H new ATOM 0 HE3 MET A1002 -3.242 17.161 -7.457 1.00 0.00 H new ATOM 1383 N LYS A1003 -5.222 20.201 -5.092 1.00 0.00 N ATOM 1384 CA LYS A1003 -6.053 21.072 -5.905 1.00 0.00 C ATOM 1385 C LYS A1003 -6.448 22.303 -5.086 1.00 0.00 C ATOM 1386 O LYS A1003 -6.768 23.349 -5.647 1.00 0.00 O ATOM 1387 CB LYS A1003 -7.248 20.299 -6.468 1.00 0.00 C ATOM 1388 CG LYS A1003 -7.079 20.043 -7.967 1.00 0.00 C ATOM 1389 CD LYS A1003 -8.417 19.684 -8.616 1.00 0.00 C ATOM 1390 CE LYS A1003 -9.165 20.941 -9.063 1.00 0.00 C ATOM 1391 NZ LYS A1003 -9.845 20.708 -10.356 1.00 0.00 N ATOM 0 H LYS A1003 -5.545 19.235 -5.034 1.00 0.00 H new ATOM 0 HA LYS A1003 -5.497 21.430 -6.771 1.00 0.00 H new ATOM 0 HB2 LYS A1003 -7.351 19.350 -5.943 1.00 0.00 H new ATOM 0 HB3 LYS A1003 -8.165 20.862 -6.293 1.00 0.00 H new ATOM 0 HG2 LYS A1003 -6.664 20.930 -8.447 1.00 0.00 H new ATOM 0 HG3 LYS A1003 -6.366 19.233 -8.123 1.00 0.00 H new ATOM 0 HD2 LYS A1003 -8.246 19.034 -9.474 1.00 0.00 H new ATOM 0 HD3 LYS A1003 -9.029 19.124 -7.909 1.00 0.00 H new ATOM 0 HE2 LYS A1003 -9.897 21.224 -8.306 1.00 0.00 H new ATOM 0 HE3 LYS A1003 -8.467 21.772 -9.158 1.00 0.00 H new ATOM 0 HZ1 LYS A1003 -10.348 21.572 -10.644 1.00 0.00 H new ATOM 0 HZ2 LYS A1003 -9.140 20.460 -11.079 1.00 0.00 H new ATOM 0 HZ3 LYS A1003 -10.526 19.929 -10.255 1.00 0.00 H new ATOM 1405 N LEU A1004 -6.411 22.136 -3.772 1.00 0.00 N ATOM 1406 CA LEU A1004 -6.760 23.221 -2.871 1.00 0.00 C ATOM 1407 C LEU A1004 -5.500 24.016 -2.524 1.00 0.00 C ATOM 1408 O LEU A1004 -5.499 25.244 -2.591 1.00 0.00 O ATOM 1409 CB LEU A1004 -7.504 22.682 -1.647 1.00 0.00 C ATOM 1410 CG LEU A1004 -8.633 21.690 -1.931 1.00 0.00 C ATOM 1411 CD1 LEU A1004 -9.151 21.063 -0.635 1.00 0.00 C ATOM 1412 CD2 LEU A1004 -9.754 22.350 -2.736 1.00 0.00 C ATOM 0 H LEU A1004 -6.145 21.266 -3.310 1.00 0.00 H new ATOM 0 HA LEU A1004 -7.449 23.912 -3.356 1.00 0.00 H new ATOM 0 HB2 LEU A1004 -6.780 22.200 -0.990 1.00 0.00 H new ATOM 0 HB3 LEU A1004 -7.919 23.527 -1.098 1.00 0.00 H new ATOM 0 HG LEU A1004 -8.231 20.882 -2.542 1.00 0.00 H new ATOM 0 HD11 LEU A1004 -9.953 20.362 -0.865 1.00 0.00 H new ATOM 0 HD12 LEU A1004 -8.339 20.534 -0.137 1.00 0.00 H new ATOM 0 HD13 LEU A1004 -9.531 21.846 0.021 1.00 0.00 H new ATOM 0 HD21 LEU A1004 -10.544 21.623 -2.924 1.00 0.00 H new ATOM 0 HD22 LEU A1004 -10.161 23.190 -2.173 1.00 0.00 H new ATOM 0 HD23 LEU A1004 -9.357 22.709 -3.686 1.00 0.00 H new ATOM 1424 N ALA A1005 -4.458 23.283 -2.160 1.00 0.00 N ATOM 1425 CA ALA A1005 -3.194 23.905 -1.803 1.00 0.00 C ATOM 1426 C ALA A1005 -2.652 24.677 -3.007 1.00 0.00 C ATOM 1427 O ALA A1005 -1.735 25.486 -2.869 1.00 0.00 O ATOM 1428 CB ALA A1005 -2.219 22.833 -1.310 1.00 0.00 C ATOM 0 H ALA A1005 -4.463 22.265 -2.105 1.00 0.00 H new ATOM 0 HA ALA A1005 -3.333 24.618 -0.990 1.00 0.00 H new ATOM 0 HB1 ALA A1005 -1.271 23.299 -1.042 1.00 0.00 H new ATOM 0 HB2 ALA A1005 -2.638 22.334 -0.436 1.00 0.00 H new ATOM 0 HB3 ALA A1005 -2.053 22.101 -2.100 1.00 0.00 H new ATOM 1434 N GLN A1006 -3.241 24.400 -4.161 1.00 0.00 N ATOM 1435 CA GLN A1006 -2.829 25.059 -5.389 1.00 0.00 C ATOM 1436 C GLN A1006 -3.556 26.396 -5.544 1.00 0.00 C ATOM 1437 O GLN A1006 -3.020 27.334 -6.133 1.00 0.00 O ATOM 1438 CB GLN A1006 -3.071 24.159 -6.602 1.00 0.00 C ATOM 1439 CG GLN A1006 -1.947 24.308 -7.629 1.00 0.00 C ATOM 1440 CD GLN A1006 -0.808 23.327 -7.341 1.00 0.00 C ATOM 1441 OE1 GLN A1006 0.345 23.699 -7.199 1.00 0.00 O ATOM 1442 NE2 GLN A1006 -1.195 22.057 -7.264 1.00 0.00 N ATOM 0 H GLN A1006 -4.000 23.728 -4.272 1.00 0.00 H new ATOM 0 HA GLN A1006 -1.758 25.255 -5.331 1.00 0.00 H new ATOM 0 HB2 GLN A1006 -3.139 23.120 -6.280 1.00 0.00 H new ATOM 0 HB3 GLN A1006 -4.026 24.413 -7.063 1.00 0.00 H new ATOM 0 HG2 GLN A1006 -2.339 24.132 -8.631 1.00 0.00 H new ATOM 0 HG3 GLN A1006 -1.566 25.329 -7.611 1.00 0.00 H new ATOM 0 HE21 GLN A1006 -2.177 21.814 -7.393 1.00 0.00 H new ATOM 0 HE22 GLN A1006 -0.510 21.325 -7.076 1.00 0.00 H new ATOM 1451 N GLN A1007 -4.765 26.442 -5.005 1.00 0.00 N ATOM 1452 CA GLN A1007 -5.571 27.649 -5.076 1.00 0.00 C ATOM 1453 C GLN A1007 -5.534 28.392 -3.740 1.00 0.00 C ATOM 1454 O GLN A1007 -6.089 29.482 -3.616 1.00 0.00 O ATOM 1455 CB GLN A1007 -7.010 27.324 -5.483 1.00 0.00 C ATOM 1456 CG GLN A1007 -7.557 28.374 -6.452 1.00 0.00 C ATOM 1457 CD GLN A1007 -8.870 27.907 -7.083 1.00 0.00 C ATOM 1458 OE1 GLN A1007 -8.897 27.263 -8.119 1.00 0.00 O ATOM 1459 NE2 GLN A1007 -9.955 28.267 -6.402 1.00 0.00 N ATOM 0 H GLN A1007 -5.206 25.663 -4.517 1.00 0.00 H new ATOM 0 HA GLN A1007 -5.149 28.299 -5.842 1.00 0.00 H new ATOM 0 HB2 GLN A1007 -7.046 26.340 -5.950 1.00 0.00 H new ATOM 0 HB3 GLN A1007 -7.641 27.279 -4.596 1.00 0.00 H new ATOM 0 HG2 GLN A1007 -7.718 29.313 -5.923 1.00 0.00 H new ATOM 0 HG3 GLN A1007 -6.823 28.570 -7.234 1.00 0.00 H new ATOM 0 HE21 GLN A1007 -9.861 28.806 -5.541 1.00 0.00 H new ATOM 0 HE22 GLN A1007 -10.880 28.004 -6.741 1.00 0.00 H new ATOM 1468 N TYR A1008 -4.873 27.772 -2.773 1.00 0.00 N ATOM 1469 CA TYR A1008 -4.756 28.361 -1.450 1.00 0.00 C ATOM 1470 C TYR A1008 -3.353 28.928 -1.224 1.00 0.00 C ATOM 1471 O TYR A1008 -3.156 29.782 -0.361 1.00 0.00 O ATOM 1472 CB TYR A1008 -4.998 27.221 -0.458 1.00 0.00 C ATOM 1473 CG TYR A1008 -6.469 27.019 -0.089 1.00 0.00 C ATOM 1474 CD1 TYR A1008 -7.266 28.110 0.191 1.00 0.00 C ATOM 1475 CD2 TYR A1008 -6.998 25.746 -0.036 1.00 0.00 C ATOM 1476 CE1 TYR A1008 -8.650 27.920 0.538 1.00 0.00 C ATOM 1477 CE2 TYR A1008 -8.383 25.556 0.312 1.00 0.00 C ATOM 1478 CZ TYR A1008 -9.140 26.652 0.582 1.00 0.00 C ATOM 1479 OH TYR A1008 -10.448 26.473 0.910 1.00 0.00 O ATOM 0 H TYR A1008 -4.413 26.868 -2.880 1.00 0.00 H new ATOM 0 HA TYR A1008 -5.467 29.178 -1.330 1.00 0.00 H new ATOM 0 HB2 TYR A1008 -4.610 26.295 -0.883 1.00 0.00 H new ATOM 0 HB3 TYR A1008 -4.430 27.417 0.451 1.00 0.00 H new ATOM 0 HD1 TYR A1008 -6.851 29.106 0.150 1.00 0.00 H new ATOM 0 HD2 TYR A1008 -6.374 24.892 -0.255 1.00 0.00 H new ATOM 0 HE1 TYR A1008 -9.285 28.765 0.758 1.00 0.00 H new ATOM 0 HE2 TYR A1008 -8.810 24.565 0.357 1.00 0.00 H new ATOM 0 HH TYR A1008 -10.723 25.563 0.673 1.00 0.00 H new ATOM 1489 N VAL A1009 -2.414 28.430 -2.016 1.00 0.00 N ATOM 1490 CA VAL A1009 -1.035 28.876 -1.913 1.00 0.00 C ATOM 1491 C VAL A1009 -0.973 30.386 -2.152 1.00 0.00 C ATOM 1492 O VAL A1009 -0.219 31.093 -1.484 1.00 0.00 O ATOM 1493 CB VAL A1009 -0.155 28.082 -2.881 1.00 0.00 C ATOM 1494 CG1 VAL A1009 -0.829 27.943 -4.247 1.00 0.00 C ATOM 1495 CG2 VAL A1009 1.229 28.721 -3.014 1.00 0.00 C ATOM 0 H VAL A1009 -2.581 27.722 -2.731 1.00 0.00 H new ATOM 0 HA VAL A1009 -0.647 28.688 -0.912 1.00 0.00 H new ATOM 0 HB VAL A1009 -0.023 27.081 -2.470 1.00 0.00 H new ATOM 0 HG11 VAL A1009 -0.182 27.375 -4.916 1.00 0.00 H new ATOM 0 HG12 VAL A1009 -1.780 27.422 -4.132 1.00 0.00 H new ATOM 0 HG13 VAL A1009 -1.006 28.933 -4.668 1.00 0.00 H new ATOM 0 HG21 VAL A1009 1.834 28.137 -3.708 1.00 0.00 H new ATOM 0 HG22 VAL A1009 1.125 29.739 -3.391 1.00 0.00 H new ATOM 0 HG23 VAL A1009 1.715 28.743 -2.038 1.00 0.00 H new ATOM 1505 N MET A1010 -1.776 30.836 -3.105 1.00 0.00 N ATOM 1506 CA MET A1010 -1.822 32.249 -3.440 1.00 0.00 C ATOM 1507 C MET A1010 -1.768 33.113 -2.178 1.00 0.00 C ATOM 1508 O MET A1010 -1.274 34.239 -2.213 1.00 0.00 O ATOM 1509 CB MET A1010 -3.108 32.550 -4.211 1.00 0.00 C ATOM 1510 CG MET A1010 -4.266 31.688 -3.702 1.00 0.00 C ATOM 1511 SD MET A1010 -5.702 32.707 -3.410 1.00 0.00 S ATOM 1512 CE MET A1010 -6.266 32.012 -1.865 1.00 0.00 C ATOM 0 H MET A1010 -2.400 30.247 -3.656 1.00 0.00 H new ATOM 0 HA MET A1010 -0.955 32.485 -4.057 1.00 0.00 H new ATOM 0 HB2 MET A1010 -3.361 33.605 -4.106 1.00 0.00 H new ATOM 0 HB3 MET A1010 -2.951 32.365 -5.274 1.00 0.00 H new ATOM 0 HG2 MET A1010 -4.502 30.913 -4.432 1.00 0.00 H new ATOM 0 HG3 MET A1010 -3.976 31.181 -2.782 1.00 0.00 H new ATOM 0 HE1 MET A1010 -6.655 32.807 -1.229 1.00 0.00 H new ATOM 0 HE2 MET A1010 -7.054 31.284 -2.059 1.00 0.00 H new ATOM 0 HE3 MET A1010 -5.434 31.520 -1.362 1.00 0.00 H new ATOM 1522 N THR A1011 -2.284 32.553 -1.094 1.00 0.00 N ATOM 1523 CA THR A1011 -2.301 33.258 0.177 1.00 0.00 C ATOM 1524 C THR A1011 -1.246 32.681 1.121 1.00 0.00 C ATOM 1525 O THR A1011 -0.155 32.312 0.689 1.00 0.00 O ATOM 1526 CB THR A1011 -3.723 33.187 0.738 1.00 0.00 C ATOM 1527 OG1 THR A1011 -3.663 33.959 1.934 1.00 0.00 O ATOM 1528 CG2 THR A1011 -4.093 31.782 1.218 1.00 0.00 C ATOM 0 H THR A1011 -2.694 31.619 -1.069 1.00 0.00 H new ATOM 0 HA THR A1011 -2.038 34.308 0.050 1.00 0.00 H new ATOM 0 HB THR A1011 -4.431 33.507 -0.026 1.00 0.00 H new ATOM 0 HG1 THR A1011 -4.241 33.555 2.614 1.00 0.00 H new ATOM 0 HG21 THR A1011 -5.111 31.787 1.606 1.00 0.00 H new ATOM 0 HG22 THR A1011 -4.026 31.083 0.384 1.00 0.00 H new ATOM 0 HG23 THR A1011 -3.406 31.474 2.006 1.00 0.00 H new ATOM 1536 N SER A1012 -1.607 32.621 2.395 1.00 0.00 N ATOM 1537 CA SER A1012 -0.704 32.095 3.405 1.00 0.00 C ATOM 1538 C SER A1012 -1.258 30.786 3.971 1.00 0.00 C ATOM 1539 O SER A1012 -0.510 29.977 4.518 1.00 0.00 O ATOM 1540 CB SER A1012 -0.485 33.110 4.529 1.00 0.00 C ATOM 1541 OG SER A1012 0.323 34.206 4.110 1.00 0.00 O ATOM 0 H SER A1012 -2.512 32.928 2.751 1.00 0.00 H new ATOM 0 HA SER A1012 0.260 31.900 2.935 1.00 0.00 H new ATOM 0 HB2 SER A1012 -1.450 33.482 4.874 1.00 0.00 H new ATOM 0 HB3 SER A1012 -0.012 32.615 5.377 1.00 0.00 H new ATOM 0 HG SER A1012 0.438 34.832 4.855 1.00 0.00 H new ATOM 1547 N LEU A1013 -2.563 30.619 3.820 1.00 0.00 N ATOM 1548 CA LEU A1013 -3.226 29.422 4.309 1.00 0.00 C ATOM 1549 C LEU A1013 -2.389 28.195 3.942 1.00 0.00 C ATOM 1550 O LEU A1013 -2.457 27.168 4.616 1.00 0.00 O ATOM 1551 CB LEU A1013 -4.666 29.360 3.798 1.00 0.00 C ATOM 1552 CG LEU A1013 -5.732 29.002 4.836 1.00 0.00 C ATOM 1553 CD1 LEU A1013 -5.708 27.505 5.152 1.00 0.00 C ATOM 1554 CD2 LEU A1013 -5.580 29.857 6.095 1.00 0.00 C ATOM 0 H LEU A1013 -3.180 31.293 3.366 1.00 0.00 H new ATOM 0 HA LEU A1013 -3.300 29.444 5.396 1.00 0.00 H new ATOM 0 HB2 LEU A1013 -4.919 30.328 3.366 1.00 0.00 H new ATOM 0 HB3 LEU A1013 -4.713 28.629 2.991 1.00 0.00 H new ATOM 0 HG LEU A1013 -6.711 29.226 4.412 1.00 0.00 H new ATOM 0 HD11 LEU A1013 -6.475 27.277 5.892 1.00 0.00 H new ATOM 0 HD12 LEU A1013 -5.902 26.938 4.242 1.00 0.00 H new ATOM 0 HD13 LEU A1013 -4.730 27.232 5.548 1.00 0.00 H new ATOM 0 HD21 LEU A1013 -6.350 29.582 6.816 1.00 0.00 H new ATOM 0 HD22 LEU A1013 -4.596 29.689 6.533 1.00 0.00 H new ATOM 0 HD23 LEU A1013 -5.686 30.910 5.835 1.00 0.00 H new ATOM 1566 N GLN A1014 -1.620 28.341 2.873 1.00 0.00 N ATOM 1567 CA GLN A1014 -0.771 27.258 2.408 1.00 0.00 C ATOM 1568 C GLN A1014 -0.184 26.495 3.598 1.00 0.00 C ATOM 1569 O GLN A1014 -0.573 25.359 3.864 1.00 0.00 O ATOM 1570 CB GLN A1014 0.337 27.783 1.492 1.00 0.00 C ATOM 1571 CG GLN A1014 0.760 26.719 0.477 1.00 0.00 C ATOM 1572 CD GLN A1014 2.284 26.613 0.398 1.00 0.00 C ATOM 1573 OE1 GLN A1014 2.751 26.449 -0.837 1.00 0.00 O flip ATOM 1574 NE2 GLN A1014 2.989 26.675 1.391 1.00 0.00 N flip ATOM 0 H GLN A1014 -1.567 29.194 2.315 1.00 0.00 H new ATOM 0 HA GLN A1014 -1.382 26.569 1.825 1.00 0.00 H new ATOM 0 HB2 GLN A1014 -0.011 28.673 0.968 1.00 0.00 H new ATOM 0 HB3 GLN A1014 1.197 28.082 2.091 1.00 0.00 H new ATOM 0 HG2 GLN A1014 0.339 25.754 0.759 1.00 0.00 H new ATOM 0 HG3 GLN A1014 0.358 26.968 -0.505 1.00 0.00 H new ATOM 0 HE21 GLN A1014 2.565 26.802 2.310 1.00 0.00 H new ATOM 0 HE22 GLN A1014 4.002 26.600 1.302 1.00 0.00 H new ATOM 1583 N GLN A1015 0.743 27.151 4.280 1.00 0.00 N ATOM 1584 CA GLN A1015 1.388 26.549 5.435 1.00 0.00 C ATOM 1585 C GLN A1015 0.380 25.722 6.235 1.00 0.00 C ATOM 1586 O GLN A1015 0.716 24.659 6.754 1.00 0.00 O ATOM 1587 CB GLN A1015 2.044 27.616 6.315 1.00 0.00 C ATOM 1588 CG GLN A1015 1.149 28.851 6.437 1.00 0.00 C ATOM 1589 CD GLN A1015 1.394 29.577 7.761 1.00 0.00 C ATOM 1590 OE1 GLN A1015 1.017 29.120 8.828 1.00 0.00 O ATOM 1591 NE2 GLN A1015 2.046 30.729 7.634 1.00 0.00 N ATOM 0 H GLN A1015 1.063 28.093 4.055 1.00 0.00 H new ATOM 0 HA GLN A1015 2.175 25.883 5.081 1.00 0.00 H new ATOM 0 HB2 GLN A1015 2.240 27.205 7.305 1.00 0.00 H new ATOM 0 HB3 GLN A1015 3.007 27.901 5.891 1.00 0.00 H new ATOM 0 HG2 GLN A1015 1.343 29.528 5.605 1.00 0.00 H new ATOM 0 HG3 GLN A1015 0.102 28.554 6.369 1.00 0.00 H new ATOM 0 HE21 GLN A1015 2.333 31.053 6.711 1.00 0.00 H new ATOM 0 HE22 GLN A1015 2.259 31.288 8.460 1.00 0.00 H new ATOM 1600 N GLU A1016 -0.837 26.242 6.310 1.00 0.00 N ATOM 1601 CA GLU A1016 -1.896 25.565 7.038 1.00 0.00 C ATOM 1602 C GLU A1016 -2.315 24.290 6.302 1.00 0.00 C ATOM 1603 O GLU A1016 -2.184 23.190 6.837 1.00 0.00 O ATOM 1604 CB GLU A1016 -3.094 26.493 7.251 1.00 0.00 C ATOM 1605 CG GLU A1016 -3.778 26.205 8.589 1.00 0.00 C ATOM 1606 CD GLU A1016 -5.297 26.344 8.469 1.00 0.00 C ATOM 1607 OE1 GLU A1016 -5.762 27.504 8.460 1.00 0.00 O ATOM 1608 OE2 GLU A1016 -5.959 25.287 8.390 1.00 0.00 O ATOM 0 H GLU A1016 -1.113 27.124 5.878 1.00 0.00 H new ATOM 0 HA GLU A1016 -1.514 25.286 8.020 1.00 0.00 H new ATOM 0 HB2 GLU A1016 -2.764 27.531 7.223 1.00 0.00 H new ATOM 0 HB3 GLU A1016 -3.808 26.364 6.438 1.00 0.00 H new ATOM 0 HG2 GLU A1016 -3.526 25.198 8.921 1.00 0.00 H new ATOM 0 HG3 GLU A1016 -3.405 26.893 9.348 1.00 0.00 H new ATOM 1615 N TYR A1017 -2.809 24.480 5.088 1.00 0.00 N ATOM 1616 CA TYR A1017 -3.247 23.359 4.274 1.00 0.00 C ATOM 1617 C TYR A1017 -2.091 22.396 4.000 1.00 0.00 C ATOM 1618 O TYR A1017 -2.313 21.236 3.657 1.00 0.00 O ATOM 1619 CB TYR A1017 -3.721 23.960 2.949 1.00 0.00 C ATOM 1620 CG TYR A1017 -5.161 24.476 2.979 1.00 0.00 C ATOM 1621 CD1 TYR A1017 -6.187 23.634 3.357 1.00 0.00 C ATOM 1622 CD2 TYR A1017 -5.433 25.782 2.628 1.00 0.00 C ATOM 1623 CE1 TYR A1017 -7.543 24.120 3.385 1.00 0.00 C ATOM 1624 CE2 TYR A1017 -6.789 26.268 2.655 1.00 0.00 C ATOM 1625 CZ TYR A1017 -7.776 25.412 3.033 1.00 0.00 C ATOM 1626 OH TYR A1017 -9.057 25.871 3.059 1.00 0.00 O ATOM 0 H TYR A1017 -2.916 25.394 4.648 1.00 0.00 H new ATOM 0 HA TYR A1017 -4.031 22.798 4.783 1.00 0.00 H new ATOM 0 HB2 TYR A1017 -3.058 24.781 2.676 1.00 0.00 H new ATOM 0 HB3 TYR A1017 -3.633 23.205 2.167 1.00 0.00 H new ATOM 0 HD1 TYR A1017 -5.974 22.612 3.632 1.00 0.00 H new ATOM 0 HD2 TYR A1017 -4.629 26.440 2.333 1.00 0.00 H new ATOM 0 HE1 TYR A1017 -8.356 23.472 3.679 1.00 0.00 H new ATOM 0 HE2 TYR A1017 -7.016 27.288 2.382 1.00 0.00 H new ATOM 0 HH TYR A1017 -9.469 25.741 2.179 1.00 0.00 H new ATOM 1636 N LYS A1018 -0.881 22.913 4.160 1.00 0.00 N ATOM 1637 CA LYS A1018 0.310 22.113 3.934 1.00 0.00 C ATOM 1638 C LYS A1018 0.408 21.034 5.015 1.00 0.00 C ATOM 1639 O LYS A1018 0.716 19.881 4.720 1.00 0.00 O ATOM 1640 CB LYS A1018 1.548 23.008 3.845 1.00 0.00 C ATOM 1641 CG LYS A1018 2.429 22.610 2.659 1.00 0.00 C ATOM 1642 CD LYS A1018 2.358 23.659 1.547 1.00 0.00 C ATOM 1643 CE LYS A1018 2.392 22.998 0.168 1.00 0.00 C ATOM 1644 NZ LYS A1018 1.466 23.686 -0.760 1.00 0.00 N ATOM 0 H LYS A1018 -0.701 23.876 4.443 1.00 0.00 H new ATOM 0 HA LYS A1018 0.247 21.599 2.975 1.00 0.00 H new ATOM 0 HB2 LYS A1018 1.242 24.049 3.742 1.00 0.00 H new ATOM 0 HB3 LYS A1018 2.121 22.935 4.769 1.00 0.00 H new ATOM 0 HG2 LYS A1018 3.461 22.495 2.990 1.00 0.00 H new ATOM 0 HG3 LYS A1018 2.109 21.642 2.272 1.00 0.00 H new ATOM 0 HD2 LYS A1018 1.444 24.244 1.652 1.00 0.00 H new ATOM 0 HD3 LYS A1018 3.193 24.353 1.643 1.00 0.00 H new ATOM 0 HE2 LYS A1018 3.406 23.028 -0.231 1.00 0.00 H new ATOM 0 HE3 LYS A1018 2.115 21.947 0.255 1.00 0.00 H new ATOM 0 HZ1 LYS A1018 1.239 23.055 -1.555 1.00 0.00 H new ATOM 0 HZ2 LYS A1018 0.591 23.936 -0.256 1.00 0.00 H new ATOM 0 HZ3 LYS A1018 1.916 24.551 -1.122 1.00 0.00 H new ATOM 1658 N LYS A1019 0.140 21.448 6.245 1.00 0.00 N ATOM 1659 CA LYS A1019 0.194 20.531 7.371 1.00 0.00 C ATOM 1660 C LYS A1019 -0.872 19.448 7.193 1.00 0.00 C ATOM 1661 O LYS A1019 -0.641 18.285 7.520 1.00 0.00 O ATOM 1662 CB LYS A1019 0.079 21.297 8.691 1.00 0.00 C ATOM 1663 CG LYS A1019 1.372 21.189 9.502 1.00 0.00 C ATOM 1664 CD LYS A1019 2.338 22.321 9.146 1.00 0.00 C ATOM 1665 CE LYS A1019 3.036 22.048 7.813 1.00 0.00 C ATOM 1666 NZ LYS A1019 4.410 22.597 7.825 1.00 0.00 N ATOM 0 H LYS A1019 -0.115 22.406 6.486 1.00 0.00 H new ATOM 0 HA LYS A1019 1.159 20.026 7.405 1.00 0.00 H new ATOM 0 HB2 LYS A1019 -0.141 22.345 8.489 1.00 0.00 H new ATOM 0 HB3 LYS A1019 -0.754 20.902 9.273 1.00 0.00 H new ATOM 0 HG2 LYS A1019 1.142 21.224 10.567 1.00 0.00 H new ATOM 0 HG3 LYS A1019 1.847 20.227 9.310 1.00 0.00 H new ATOM 0 HD2 LYS A1019 1.794 23.264 9.089 1.00 0.00 H new ATOM 0 HD3 LYS A1019 3.082 22.430 9.935 1.00 0.00 H new ATOM 0 HE2 LYS A1019 3.069 20.975 7.626 1.00 0.00 H new ATOM 0 HE3 LYS A1019 2.466 22.496 6.999 1.00 0.00 H new ATOM 0 HZ1 LYS A1019 4.869 22.403 6.912 1.00 0.00 H new ATOM 0 HZ2 LYS A1019 4.372 23.624 7.982 1.00 0.00 H new ATOM 0 HZ3 LYS A1019 4.956 22.150 8.589 1.00 0.00 H new ATOM 1680 N GLN A1020 -2.016 19.869 6.676 1.00 0.00 N ATOM 1681 CA GLN A1020 -3.119 18.950 6.451 1.00 0.00 C ATOM 1682 C GLN A1020 -2.667 17.785 5.567 1.00 0.00 C ATOM 1683 O GLN A1020 -2.936 16.626 5.877 1.00 0.00 O ATOM 1684 CB GLN A1020 -4.318 19.672 5.834 1.00 0.00 C ATOM 1685 CG GLN A1020 -4.754 20.852 6.705 1.00 0.00 C ATOM 1686 CD GLN A1020 -5.051 20.398 8.136 1.00 0.00 C ATOM 1687 OE1 GLN A1020 -6.050 19.757 8.417 1.00 0.00 O ATOM 1688 NE2 GLN A1020 -4.128 20.764 9.021 1.00 0.00 N ATOM 0 H GLN A1020 -2.204 20.835 6.406 1.00 0.00 H new ATOM 0 HA GLN A1020 -3.434 18.550 7.414 1.00 0.00 H new ATOM 0 HB2 GLN A1020 -4.059 20.027 4.837 1.00 0.00 H new ATOM 0 HB3 GLN A1020 -5.147 18.974 5.719 1.00 0.00 H new ATOM 0 HG2 GLN A1020 -3.971 21.610 6.715 1.00 0.00 H new ATOM 0 HG3 GLN A1020 -5.641 21.317 6.276 1.00 0.00 H new ATOM 0 HE21 GLN A1020 -3.315 21.300 8.718 1.00 0.00 H new ATOM 0 HE22 GLN A1020 -4.233 20.508 10.003 1.00 0.00 H new ATOM 1697 N MET A1021 -1.988 18.135 4.485 1.00 0.00 N ATOM 1698 CA MET A1021 -1.496 17.133 3.554 1.00 0.00 C ATOM 1699 C MET A1021 -0.647 16.084 4.276 1.00 0.00 C ATOM 1700 O MET A1021 -0.836 14.885 4.079 1.00 0.00 O ATOM 1701 CB MET A1021 -0.657 17.812 2.470 1.00 0.00 C ATOM 1702 CG MET A1021 -1.224 17.524 1.078 1.00 0.00 C ATOM 1703 SD MET A1021 0.060 16.880 0.017 1.00 0.00 S ATOM 1704 CE MET A1021 0.639 15.522 1.021 1.00 0.00 C ATOM 0 H MET A1021 -1.767 19.098 4.232 1.00 0.00 H new ATOM 0 HA MET A1021 -2.352 16.632 3.102 1.00 0.00 H new ATOM 0 HB2 MET A1021 -0.635 18.888 2.642 1.00 0.00 H new ATOM 0 HB3 MET A1021 0.373 17.459 2.527 1.00 0.00 H new ATOM 0 HG2 MET A1021 -2.041 16.806 1.150 1.00 0.00 H new ATOM 0 HG3 MET A1021 -1.638 18.436 0.649 1.00 0.00 H new ATOM 0 HE1 MET A1021 0.865 14.668 0.383 1.00 0.00 H new ATOM 0 HE2 MET A1021 1.540 15.823 1.556 1.00 0.00 H new ATOM 0 HE3 MET A1021 -0.133 15.245 1.738 1.00 0.00 H new ATOM 1714 N LEU A1022 0.271 16.575 5.095 1.00 0.00 N ATOM 1715 CA LEU A1022 1.150 15.695 5.847 1.00 0.00 C ATOM 1716 C LEU A1022 0.311 14.644 6.575 1.00 0.00 C ATOM 1717 O LEU A1022 0.625 13.455 6.534 1.00 0.00 O ATOM 1718 CB LEU A1022 2.057 16.508 6.774 1.00 0.00 C ATOM 1719 CG LEU A1022 3.070 15.706 7.593 1.00 0.00 C ATOM 1720 CD1 LEU A1022 2.364 14.806 8.609 1.00 0.00 C ATOM 1721 CD2 LEU A1022 4.009 14.914 6.681 1.00 0.00 C ATOM 0 H LEU A1022 0.425 17.571 5.255 1.00 0.00 H new ATOM 0 HA LEU A1022 1.819 15.159 5.174 1.00 0.00 H new ATOM 0 HB2 LEU A1022 2.601 17.235 6.171 1.00 0.00 H new ATOM 0 HB3 LEU A1022 1.428 17.072 7.463 1.00 0.00 H new ATOM 0 HG LEU A1022 3.685 16.408 8.157 1.00 0.00 H new ATOM 0 HD11 LEU A1022 3.107 14.247 9.178 1.00 0.00 H new ATOM 0 HD12 LEU A1022 1.772 15.419 9.289 1.00 0.00 H new ATOM 0 HD13 LEU A1022 1.709 14.110 8.085 1.00 0.00 H new ATOM 0 HD21 LEU A1022 4.719 14.353 7.289 1.00 0.00 H new ATOM 0 HD22 LEU A1022 3.427 14.223 6.072 1.00 0.00 H new ATOM 0 HD23 LEU A1022 4.551 15.602 6.032 1.00 0.00 H new ATOM 1733 N THR A1023 -0.741 15.119 7.226 1.00 0.00 N ATOM 1734 CA THR A1023 -1.628 14.235 7.962 1.00 0.00 C ATOM 1735 C THR A1023 -2.001 13.022 7.108 1.00 0.00 C ATOM 1736 O THR A1023 -1.859 11.881 7.547 1.00 0.00 O ATOM 1737 CB THR A1023 -2.838 15.052 8.419 1.00 0.00 C ATOM 1738 OG1 THR A1023 -2.277 16.283 8.866 1.00 0.00 O ATOM 1739 CG2 THR A1023 -3.500 14.469 9.669 1.00 0.00 C ATOM 0 H THR A1023 -0.999 16.105 7.259 1.00 0.00 H new ATOM 0 HA THR A1023 -1.138 13.831 8.848 1.00 0.00 H new ATOM 0 HB THR A1023 -3.568 15.102 7.611 1.00 0.00 H new ATOM 0 HG1 THR A1023 -2.993 16.874 9.179 1.00 0.00 H new ATOM 0 HG21 THR A1023 -4.353 15.087 9.951 1.00 0.00 H new ATOM 0 HG22 THR A1023 -3.840 13.454 9.461 1.00 0.00 H new ATOM 0 HG23 THR A1023 -2.780 14.450 10.487 1.00 0.00 H new ATOM 1747 N ALA A1024 -2.472 13.309 5.903 1.00 0.00 N ATOM 1748 CA ALA A1024 -2.867 12.256 4.984 1.00 0.00 C ATOM 1749 C ALA A1024 -1.648 11.396 4.645 1.00 0.00 C ATOM 1750 O ALA A1024 -1.744 10.171 4.590 1.00 0.00 O ATOM 1751 CB ALA A1024 -3.506 12.877 3.740 1.00 0.00 C ATOM 0 H ALA A1024 -2.589 14.256 5.542 1.00 0.00 H new ATOM 0 HA ALA A1024 -3.612 11.606 5.443 1.00 0.00 H new ATOM 0 HB1 ALA A1024 -3.802 12.087 3.050 1.00 0.00 H new ATOM 0 HB2 ALA A1024 -4.384 13.453 4.031 1.00 0.00 H new ATOM 0 HB3 ALA A1024 -2.787 13.534 3.251 1.00 0.00 H new ATOM 1757 N ALA A1025 -0.529 12.072 4.428 1.00 0.00 N ATOM 1758 CA ALA A1025 0.708 11.385 4.096 1.00 0.00 C ATOM 1759 C ALA A1025 1.027 10.364 5.190 1.00 0.00 C ATOM 1760 O ALA A1025 1.641 9.332 4.920 1.00 0.00 O ATOM 1761 CB ALA A1025 1.828 12.411 3.911 1.00 0.00 C ATOM 0 H ALA A1025 -0.453 13.088 4.476 1.00 0.00 H new ATOM 0 HA ALA A1025 0.606 10.842 3.157 1.00 0.00 H new ATOM 0 HB1 ALA A1025 2.756 11.896 3.662 1.00 0.00 H new ATOM 0 HB2 ALA A1025 1.565 13.095 3.104 1.00 0.00 H new ATOM 0 HB3 ALA A1025 1.962 12.974 4.835 1.00 0.00 H new ATOM 1767 N HIS A1026 0.597 10.686 6.400 1.00 0.00 N ATOM 1768 CA HIS A1026 0.830 9.809 7.535 1.00 0.00 C ATOM 1769 C HIS A1026 -0.067 8.575 7.423 1.00 0.00 C ATOM 1770 O HIS A1026 0.419 7.445 7.454 1.00 0.00 O ATOM 1771 CB HIS A1026 0.637 10.563 8.853 1.00 0.00 C ATOM 1772 CG HIS A1026 1.136 9.816 10.067 1.00 0.00 C ATOM 1773 ND1 HIS A1026 2.481 9.634 10.335 1.00 0.00 N ATOM 1774 CD2 HIS A1026 0.456 9.208 11.080 1.00 0.00 C ATOM 1775 CE1 HIS A1026 2.594 8.945 11.461 1.00 0.00 C ATOM 1776 NE2 HIS A1026 1.338 8.682 11.921 1.00 0.00 N ATOM 0 H HIS A1026 0.088 11.542 6.620 1.00 0.00 H new ATOM 0 HA HIS A1026 1.865 9.466 7.527 1.00 0.00 H new ATOM 0 HB2 HIS A1026 1.154 11.521 8.791 1.00 0.00 H new ATOM 0 HB3 HIS A1026 -0.423 10.781 8.983 1.00 0.00 H new ATOM 0 HD2 HIS A1026 -0.618 9.162 11.181 1.00 0.00 H new ATOM 0 HE1 HIS A1026 3.518 8.645 11.932 1.00 0.00 H new ATOM 0 HE2 HIS A1026 1.113 8.166 12.772 1.00 0.00 H new ATOM 1784 N ALA A1027 -1.360 8.832 7.294 1.00 0.00 N ATOM 1785 CA ALA A1027 -2.330 7.756 7.176 1.00 0.00 C ATOM 1786 C ALA A1027 -2.066 6.977 5.886 1.00 0.00 C ATOM 1787 O ALA A1027 -2.256 5.763 5.840 1.00 0.00 O ATOM 1788 CB ALA A1027 -3.745 8.335 7.229 1.00 0.00 C ATOM 0 H ALA A1027 -1.759 9.770 7.269 1.00 0.00 H new ATOM 0 HA ALA A1027 -2.233 7.059 8.008 1.00 0.00 H new ATOM 0 HB1 ALA A1027 -4.472 7.528 7.140 1.00 0.00 H new ATOM 0 HB2 ALA A1027 -3.891 8.853 8.177 1.00 0.00 H new ATOM 0 HB3 ALA A1027 -3.882 9.038 6.407 1.00 0.00 H new ATOM 1794 N LEU A1028 -1.633 7.708 4.869 1.00 0.00 N ATOM 1795 CA LEU A1028 -1.342 7.101 3.581 1.00 0.00 C ATOM 1796 C LEU A1028 -0.303 5.994 3.768 1.00 0.00 C ATOM 1797 O LEU A1028 -0.600 4.818 3.564 1.00 0.00 O ATOM 1798 CB LEU A1028 -0.928 8.169 2.567 1.00 0.00 C ATOM 1799 CG LEU A1028 -2.069 8.862 1.819 1.00 0.00 C ATOM 1800 CD1 LEU A1028 -1.532 9.713 0.666 1.00 0.00 C ATOM 1801 CD2 LEU A1028 -3.110 7.845 1.344 1.00 0.00 C ATOM 0 H LEU A1028 -1.477 8.715 4.911 1.00 0.00 H new ATOM 0 HA LEU A1028 -2.236 6.633 3.169 1.00 0.00 H new ATOM 0 HB2 LEU A1028 -0.346 8.930 3.088 1.00 0.00 H new ATOM 0 HB3 LEU A1028 -0.266 7.708 1.834 1.00 0.00 H new ATOM 0 HG LEU A1028 -2.571 9.538 2.511 1.00 0.00 H new ATOM 0 HD11 LEU A1028 -2.363 10.194 0.151 1.00 0.00 H new ATOM 0 HD12 LEU A1028 -0.859 10.475 1.059 1.00 0.00 H new ATOM 0 HD13 LEU A1028 -0.991 9.077 -0.034 1.00 0.00 H new ATOM 0 HD21 LEU A1028 -3.910 8.363 0.815 1.00 0.00 H new ATOM 0 HD22 LEU A1028 -2.638 7.127 0.674 1.00 0.00 H new ATOM 0 HD23 LEU A1028 -3.524 7.320 2.204 1.00 0.00 H new ATOM 1813 N ALA A1029 0.895 6.410 4.152 1.00 0.00 N ATOM 1814 CA ALA A1029 1.980 5.468 4.368 1.00 0.00 C ATOM 1815 C ALA A1029 1.427 4.200 5.023 1.00 0.00 C ATOM 1816 O ALA A1029 1.775 3.090 4.625 1.00 0.00 O ATOM 1817 CB ALA A1029 3.071 6.131 5.211 1.00 0.00 C ATOM 0 H ALA A1029 1.138 7.386 4.319 1.00 0.00 H new ATOM 0 HA ALA A1029 2.431 5.179 3.419 1.00 0.00 H new ATOM 0 HB1 ALA A1029 3.885 5.425 5.373 1.00 0.00 H new ATOM 0 HB2 ALA A1029 3.451 7.009 4.689 1.00 0.00 H new ATOM 0 HB3 ALA A1029 2.655 6.432 6.172 1.00 0.00 H new ATOM 1823 N VAL A1030 0.574 4.409 6.015 1.00 0.00 N ATOM 1824 CA VAL A1030 -0.031 3.297 6.728 1.00 0.00 C ATOM 1825 C VAL A1030 -1.021 2.583 5.806 1.00 0.00 C ATOM 1826 O VAL A1030 -0.910 1.379 5.583 1.00 0.00 O ATOM 1827 CB VAL A1030 -0.673 3.794 8.025 1.00 0.00 C ATOM 1828 CG1 VAL A1030 -1.690 2.782 8.556 1.00 0.00 C ATOM 1829 CG2 VAL A1030 0.392 4.107 9.079 1.00 0.00 C ATOM 0 H VAL A1030 0.288 5.332 6.342 1.00 0.00 H new ATOM 0 HA VAL A1030 0.728 2.569 7.015 1.00 0.00 H new ATOM 0 HB VAL A1030 -1.206 4.719 7.803 1.00 0.00 H new ATOM 0 HG11 VAL A1030 -2.131 3.160 9.478 1.00 0.00 H new ATOM 0 HG12 VAL A1030 -2.474 2.630 7.814 1.00 0.00 H new ATOM 0 HG13 VAL A1030 -1.190 1.834 8.755 1.00 0.00 H new ATOM 0 HG21 VAL A1030 -0.091 4.458 9.991 1.00 0.00 H new ATOM 0 HG22 VAL A1030 0.965 3.206 9.296 1.00 0.00 H new ATOM 0 HG23 VAL A1030 1.061 4.880 8.702 1.00 0.00 H new ATOM 1839 N ASP A1031 -1.967 3.357 5.295 1.00 0.00 N ATOM 1840 CA ASP A1031 -2.977 2.814 4.402 1.00 0.00 C ATOM 1841 C ASP A1031 -2.319 1.827 3.436 1.00 0.00 C ATOM 1842 O ASP A1031 -2.722 0.668 3.357 1.00 0.00 O ATOM 1843 CB ASP A1031 -3.632 3.921 3.574 1.00 0.00 C ATOM 1844 CG ASP A1031 -4.481 4.911 4.374 1.00 0.00 C ATOM 1845 OD1 ASP A1031 -4.546 4.734 5.610 1.00 0.00 O ATOM 1846 OD2 ASP A1031 -5.046 5.822 3.732 1.00 0.00 O ATOM 0 H ASP A1031 -2.056 4.356 5.482 1.00 0.00 H new ATOM 0 HA ASP A1031 -3.736 2.322 5.010 1.00 0.00 H new ATOM 0 HB2 ASP A1031 -2.851 4.474 3.052 1.00 0.00 H new ATOM 0 HB3 ASP A1031 -4.260 3.460 2.811 1.00 0.00 H new ATOM 1851 N ALA A1032 -1.317 2.323 2.724 1.00 0.00 N ATOM 1852 CA ALA A1032 -0.599 1.499 1.766 1.00 0.00 C ATOM 1853 C ALA A1032 0.028 0.308 2.493 1.00 0.00 C ATOM 1854 O ALA A1032 0.080 -0.796 1.954 1.00 0.00 O ATOM 1855 CB ALA A1032 0.442 2.352 1.038 1.00 0.00 C ATOM 0 H ALA A1032 -0.986 3.285 2.792 1.00 0.00 H new ATOM 0 HA ALA A1032 -1.281 1.104 1.013 1.00 0.00 H new ATOM 0 HB1 ALA A1032 0.981 1.734 0.319 1.00 0.00 H new ATOM 0 HB2 ALA A1032 -0.057 3.167 0.514 1.00 0.00 H new ATOM 0 HB3 ALA A1032 1.145 2.764 1.762 1.00 0.00 H new ATOM 1861 N LYS A1033 0.489 0.573 3.707 1.00 0.00 N ATOM 1862 CA LYS A1033 1.110 -0.464 4.514 1.00 0.00 C ATOM 1863 C LYS A1033 0.091 -1.572 4.786 1.00 0.00 C ATOM 1864 O LYS A1033 0.247 -2.695 4.308 1.00 0.00 O ATOM 1865 CB LYS A1033 1.719 0.137 5.782 1.00 0.00 C ATOM 1866 CG LYS A1033 2.891 -0.709 6.283 1.00 0.00 C ATOM 1867 CD LYS A1033 4.137 0.153 6.499 1.00 0.00 C ATOM 1868 CE LYS A1033 4.359 0.431 7.987 1.00 0.00 C ATOM 1869 NZ LYS A1033 4.498 1.885 8.227 1.00 0.00 N ATOM 0 H LYS A1033 0.445 1.490 4.151 1.00 0.00 H new ATOM 0 HA LYS A1033 1.940 -0.920 3.975 1.00 0.00 H new ATOM 0 HB2 LYS A1033 2.059 1.153 5.580 1.00 0.00 H new ATOM 0 HB3 LYS A1033 0.957 0.205 6.558 1.00 0.00 H new ATOM 0 HG2 LYS A1033 2.617 -1.199 7.217 1.00 0.00 H new ATOM 0 HG3 LYS A1033 3.110 -1.497 5.562 1.00 0.00 H new ATOM 0 HD2 LYS A1033 5.010 -0.353 6.086 1.00 0.00 H new ATOM 0 HD3 LYS A1033 4.030 1.095 5.961 1.00 0.00 H new ATOM 0 HE2 LYS A1033 3.522 0.039 8.565 1.00 0.00 H new ATOM 0 HE3 LYS A1033 5.254 -0.088 8.330 1.00 0.00 H new ATOM 0 HZ1 LYS A1033 4.648 2.057 9.242 1.00 0.00 H new ATOM 0 HZ2 LYS A1033 5.311 2.249 7.690 1.00 0.00 H new ATOM 0 HZ3 LYS A1033 3.633 2.372 7.918 1.00 0.00 H new ATOM 1883 N ASN A1034 -0.929 -1.218 5.554 1.00 0.00 N ATOM 1884 CA ASN A1034 -1.973 -2.169 5.895 1.00 0.00 C ATOM 1885 C ASN A1034 -2.273 -3.049 4.680 1.00 0.00 C ATOM 1886 O ASN A1034 -2.647 -4.212 4.829 1.00 0.00 O ATOM 1887 CB ASN A1034 -3.266 -1.450 6.288 1.00 0.00 C ATOM 1888 CG ASN A1034 -3.438 -1.424 7.808 1.00 0.00 C ATOM 1889 OD1 ASN A1034 -2.705 -2.054 8.553 1.00 0.00 O ATOM 1890 ND2 ASN A1034 -4.444 -0.661 8.225 1.00 0.00 N ATOM 0 H ASN A1034 -1.055 -0.286 5.950 1.00 0.00 H new ATOM 0 HA ASN A1034 -1.622 -2.767 6.736 1.00 0.00 H new ATOM 0 HB2 ASN A1034 -3.251 -0.431 5.903 1.00 0.00 H new ATOM 0 HB3 ASN A1034 -4.119 -1.951 5.830 1.00 0.00 H new ATOM 0 HD21 ASN A1034 -4.641 -0.577 9.222 1.00 0.00 H new ATOM 0 HD22 ASN A1034 -5.019 -0.160 7.548 1.00 0.00 H new ATOM 1897 N LEU A1035 -2.098 -2.461 3.506 1.00 0.00 N ATOM 1898 CA LEU A1035 -2.345 -3.178 2.266 1.00 0.00 C ATOM 1899 C LEU A1035 -1.442 -4.412 2.207 1.00 0.00 C ATOM 1900 O LEU A1035 -1.920 -5.541 2.307 1.00 0.00 O ATOM 1901 CB LEU A1035 -2.187 -2.242 1.066 1.00 0.00 C ATOM 1902 CG LEU A1035 -3.045 -2.570 -0.157 1.00 0.00 C ATOM 1903 CD1 LEU A1035 -2.519 -3.812 -0.880 1.00 0.00 C ATOM 1904 CD2 LEU A1035 -4.519 -2.713 0.229 1.00 0.00 C ATOM 0 H LEU A1035 -1.788 -1.497 3.387 1.00 0.00 H new ATOM 0 HA LEU A1035 -3.375 -3.534 2.230 1.00 0.00 H new ATOM 0 HB2 LEU A1035 -2.422 -1.227 1.388 1.00 0.00 H new ATOM 0 HB3 LEU A1035 -1.140 -2.246 0.762 1.00 0.00 H new ATOM 0 HG LEU A1035 -2.974 -1.737 -0.856 1.00 0.00 H new ATOM 0 HD11 LEU A1035 -3.147 -4.023 -1.745 1.00 0.00 H new ATOM 0 HD12 LEU A1035 -1.495 -3.635 -1.209 1.00 0.00 H new ATOM 0 HD13 LEU A1035 -2.539 -4.664 -0.201 1.00 0.00 H new ATOM 0 HD21 LEU A1035 -5.107 -2.946 -0.659 1.00 0.00 H new ATOM 0 HD22 LEU A1035 -4.628 -3.516 0.958 1.00 0.00 H new ATOM 0 HD23 LEU A1035 -4.874 -1.778 0.664 1.00 0.00 H new ATOM 1916 N LEU A1036 -0.152 -4.154 2.044 1.00 0.00 N ATOM 1917 CA LEU A1036 0.822 -5.230 1.970 1.00 0.00 C ATOM 1918 C LEU A1036 0.987 -5.859 3.355 1.00 0.00 C ATOM 1919 O LEU A1036 1.025 -7.081 3.485 1.00 0.00 O ATOM 1920 CB LEU A1036 2.133 -4.725 1.364 1.00 0.00 C ATOM 1921 CG LEU A1036 2.818 -5.665 0.370 1.00 0.00 C ATOM 1922 CD1 LEU A1036 3.033 -4.976 -0.979 1.00 0.00 C ATOM 1923 CD2 LEU A1036 4.124 -6.215 0.948 1.00 0.00 C ATOM 0 H LEU A1036 0.241 -3.216 1.961 1.00 0.00 H new ATOM 0 HA LEU A1036 0.471 -6.016 1.302 1.00 0.00 H new ATOM 0 HB2 LEU A1036 1.937 -3.778 0.862 1.00 0.00 H new ATOM 0 HB3 LEU A1036 2.829 -4.517 2.176 1.00 0.00 H new ATOM 0 HG LEU A1036 2.159 -6.516 0.194 1.00 0.00 H new ATOM 0 HD11 LEU A1036 3.521 -5.667 -1.666 1.00 0.00 H new ATOM 0 HD12 LEU A1036 2.070 -4.674 -1.391 1.00 0.00 H new ATOM 0 HD13 LEU A1036 3.661 -4.096 -0.842 1.00 0.00 H new ATOM 0 HD21 LEU A1036 4.591 -6.880 0.222 1.00 0.00 H new ATOM 0 HD22 LEU A1036 4.800 -5.389 1.171 1.00 0.00 H new ATOM 0 HD23 LEU A1036 3.912 -6.768 1.863 1.00 0.00 H new ATOM 1935 N ASP A1037 1.082 -4.994 4.355 1.00 0.00 N ATOM 1936 CA ASP A1037 1.242 -5.450 5.725 1.00 0.00 C ATOM 1937 C ASP A1037 0.324 -6.649 5.970 1.00 0.00 C ATOM 1938 O ASP A1037 0.722 -7.619 6.614 1.00 0.00 O ATOM 1939 CB ASP A1037 0.860 -4.351 6.719 1.00 0.00 C ATOM 1940 CG ASP A1037 1.464 -4.505 8.116 1.00 0.00 C ATOM 1941 OD1 ASP A1037 1.187 -5.551 8.742 1.00 0.00 O ATOM 1942 OD2 ASP A1037 2.188 -3.573 8.527 1.00 0.00 O ATOM 0 H ASP A1037 1.051 -3.981 4.243 1.00 0.00 H new ATOM 0 HA ASP A1037 2.288 -5.721 5.870 1.00 0.00 H new ATOM 0 HB2 ASP A1037 1.169 -3.389 6.310 1.00 0.00 H new ATOM 0 HB3 ASP A1037 -0.226 -4.325 6.810 1.00 0.00 H new ATOM 1947 N VAL A1038 -0.887 -6.545 5.443 1.00 0.00 N ATOM 1948 CA VAL A1038 -1.864 -7.609 5.596 1.00 0.00 C ATOM 1949 C VAL A1038 -1.455 -8.800 4.728 1.00 0.00 C ATOM 1950 O VAL A1038 -1.570 -9.949 5.151 1.00 0.00 O ATOM 1951 CB VAL A1038 -3.264 -7.084 5.270 1.00 0.00 C ATOM 1952 CG1 VAL A1038 -4.265 -8.235 5.144 1.00 0.00 C ATOM 1953 CG2 VAL A1038 -3.726 -6.067 6.316 1.00 0.00 C ATOM 0 H VAL A1038 -1.214 -5.740 4.909 1.00 0.00 H new ATOM 0 HA VAL A1038 -1.893 -7.955 6.629 1.00 0.00 H new ATOM 0 HB VAL A1038 -3.215 -6.575 4.307 1.00 0.00 H new ATOM 0 HG11 VAL A1038 -5.252 -7.835 4.912 1.00 0.00 H new ATOM 0 HG12 VAL A1038 -3.949 -8.906 4.346 1.00 0.00 H new ATOM 0 HG13 VAL A1038 -4.308 -8.784 6.084 1.00 0.00 H new ATOM 0 HG21 VAL A1038 -4.724 -5.710 6.060 1.00 0.00 H new ATOM 0 HG22 VAL A1038 -3.750 -6.540 7.298 1.00 0.00 H new ATOM 0 HG23 VAL A1038 -3.033 -5.225 6.336 1.00 0.00 H new ATOM 1963 N ILE A1039 -0.986 -8.485 3.530 1.00 0.00 N ATOM 1964 CA ILE A1039 -0.559 -9.515 2.599 1.00 0.00 C ATOM 1965 C ILE A1039 0.498 -10.396 3.269 1.00 0.00 C ATOM 1966 O ILE A1039 0.331 -11.611 3.360 1.00 0.00 O ATOM 1967 CB ILE A1039 -0.093 -8.889 1.283 1.00 0.00 C ATOM 1968 CG1 ILE A1039 -1.286 -8.495 0.410 1.00 0.00 C ATOM 1969 CG2 ILE A1039 0.875 -9.817 0.546 1.00 0.00 C ATOM 1970 CD1 ILE A1039 -0.888 -7.435 -0.618 1.00 0.00 C ATOM 0 H ILE A1039 -0.892 -7.531 3.182 1.00 0.00 H new ATOM 0 HA ILE A1039 -1.396 -10.163 2.338 1.00 0.00 H new ATOM 0 HB ILE A1039 0.452 -7.974 1.515 1.00 0.00 H new ATOM 0 HG12 ILE A1039 -1.673 -9.376 -0.102 1.00 0.00 H new ATOM 0 HG13 ILE A1039 -2.090 -8.113 1.039 1.00 0.00 H new ATOM 0 HG21 ILE A1039 1.191 -9.348 -0.386 1.00 0.00 H new ATOM 0 HG22 ILE A1039 1.748 -10.004 1.172 1.00 0.00 H new ATOM 0 HG23 ILE A1039 0.377 -10.762 0.326 1.00 0.00 H new ATOM 0 HD11 ILE A1039 -1.755 -7.173 -1.225 1.00 0.00 H new ATOM 0 HD12 ILE A1039 -0.525 -6.546 -0.102 1.00 0.00 H new ATOM 0 HD13 ILE A1039 -0.101 -7.829 -1.261 1.00 0.00 H new ATOM 1982 N ASP A1040 1.562 -9.749 3.720 1.00 0.00 N ATOM 1983 CA ASP A1040 2.645 -10.458 4.379 1.00 0.00 C ATOM 1984 C ASP A1040 2.062 -11.432 5.405 1.00 0.00 C ATOM 1985 O ASP A1040 2.490 -12.582 5.487 1.00 0.00 O ATOM 1986 CB ASP A1040 3.569 -9.488 5.119 1.00 0.00 C ATOM 1987 CG ASP A1040 4.981 -10.013 5.382 1.00 0.00 C ATOM 1988 OD1 ASP A1040 5.421 -10.879 4.595 1.00 0.00 O ATOM 1989 OD2 ASP A1040 5.590 -9.538 6.365 1.00 0.00 O ATOM 0 H ASP A1040 1.697 -8.741 3.642 1.00 0.00 H new ATOM 0 HA ASP A1040 3.215 -10.987 3.615 1.00 0.00 H new ATOM 0 HB2 ASP A1040 3.642 -8.567 4.541 1.00 0.00 H new ATOM 0 HB3 ASP A1040 3.110 -9.230 6.073 1.00 0.00 H new ATOM 1994 N GLN A1041 1.095 -10.935 6.162 1.00 0.00 N ATOM 1995 CA GLN A1041 0.449 -11.747 7.179 1.00 0.00 C ATOM 1996 C GLN A1041 -0.520 -12.738 6.531 1.00 0.00 C ATOM 1997 O GLN A1041 -0.819 -13.785 7.103 1.00 0.00 O ATOM 1998 CB GLN A1041 -0.269 -10.870 8.206 1.00 0.00 C ATOM 1999 CG GLN A1041 0.693 -10.412 9.304 1.00 0.00 C ATOM 2000 CD GLN A1041 0.030 -10.491 10.681 1.00 0.00 C ATOM 2001 OE1 GLN A1041 0.334 -11.346 11.497 1.00 0.00 O ATOM 2002 NE2 GLN A1041 -0.890 -9.554 10.894 1.00 0.00 N ATOM 0 H GLN A1041 0.743 -9.980 6.091 1.00 0.00 H new ATOM 0 HA GLN A1041 1.217 -12.313 7.707 1.00 0.00 H new ATOM 0 HB2 GLN A1041 -0.700 -10.001 7.709 1.00 0.00 H new ATOM 0 HB3 GLN A1041 -1.095 -11.426 8.650 1.00 0.00 H new ATOM 0 HG2 GLN A1041 1.588 -11.034 9.291 1.00 0.00 H new ATOM 0 HG3 GLN A1041 1.013 -9.389 9.109 1.00 0.00 H new ATOM 0 HE21 GLN A1041 -1.096 -8.868 10.168 1.00 0.00 H new ATOM 0 HE22 GLN A1041 -1.389 -9.522 11.783 1.00 0.00 H new ATOM 2011 N ALA A1042 -0.985 -12.373 5.345 1.00 0.00 N ATOM 2012 CA ALA A1042 -1.914 -13.216 4.613 1.00 0.00 C ATOM 2013 C ALA A1042 -1.155 -14.400 4.010 1.00 0.00 C ATOM 2014 O ALA A1042 -1.550 -15.551 4.188 1.00 0.00 O ATOM 2015 CB ALA A1042 -2.633 -12.382 3.550 1.00 0.00 C ATOM 0 H ALA A1042 -0.735 -11.504 4.873 1.00 0.00 H new ATOM 0 HA ALA A1042 -2.675 -13.618 5.281 1.00 0.00 H new ATOM 0 HB1 ALA A1042 -3.330 -13.015 3.001 1.00 0.00 H new ATOM 0 HB2 ALA A1042 -3.181 -11.572 4.032 1.00 0.00 H new ATOM 0 HB3 ALA A1042 -1.901 -11.964 2.859 1.00 0.00 H new ATOM 2021 N ARG A1043 -0.079 -14.076 3.308 1.00 0.00 N ATOM 2022 CA ARG A1043 0.739 -15.098 2.678 1.00 0.00 C ATOM 2023 C ARG A1043 1.041 -16.224 3.670 1.00 0.00 C ATOM 2024 O ARG A1043 0.686 -17.377 3.432 1.00 0.00 O ATOM 2025 CB ARG A1043 2.057 -14.512 2.167 1.00 0.00 C ATOM 2026 CG ARG A1043 2.845 -15.550 1.366 1.00 0.00 C ATOM 2027 CD ARG A1043 3.525 -14.909 0.155 1.00 0.00 C ATOM 2028 NE ARG A1043 4.636 -15.766 -0.315 1.00 0.00 N ATOM 2029 CZ ARG A1043 5.866 -15.760 0.218 1.00 0.00 C ATOM 2030 NH1 ARG A1043 6.149 -14.943 1.241 1.00 0.00 N ATOM 2031 NH2 ARG A1043 6.812 -16.572 -0.273 1.00 0.00 N ATOM 0 H ARG A1043 0.245 -13.120 3.162 1.00 0.00 H new ATOM 0 HA ARG A1043 0.178 -15.495 1.832 1.00 0.00 H new ATOM 0 HB2 ARG A1043 1.854 -13.642 1.542 1.00 0.00 H new ATOM 0 HB3 ARG A1043 2.656 -14.166 3.009 1.00 0.00 H new ATOM 0 HG2 ARG A1043 3.596 -16.014 2.005 1.00 0.00 H new ATOM 0 HG3 ARG A1043 2.175 -16.343 1.034 1.00 0.00 H new ATOM 0 HD2 ARG A1043 2.800 -14.767 -0.647 1.00 0.00 H new ATOM 0 HD3 ARG A1043 3.904 -13.922 0.421 1.00 0.00 H new ATOM 0 HE ARG A1043 4.455 -16.401 -1.093 1.00 0.00 H new ATOM 0 HH11 ARG A1043 5.429 -14.325 1.615 1.00 0.00 H new ATOM 0 HH12 ARG A1043 7.085 -14.939 1.646 1.00 0.00 H new ATOM 0 HH21 ARG A1043 6.596 -17.194 -1.052 1.00 0.00 H new ATOM 0 HH22 ARG A1043 7.748 -16.568 0.132 1.00 0.00 H new ATOM 2045 N LEU A1044 1.691 -15.848 4.761 1.00 0.00 N ATOM 2046 CA LEU A1044 2.044 -16.812 5.790 1.00 0.00 C ATOM 2047 C LEU A1044 0.786 -17.562 6.234 1.00 0.00 C ATOM 2048 O LEU A1044 0.848 -18.746 6.559 1.00 0.00 O ATOM 2049 CB LEU A1044 2.786 -16.122 6.938 1.00 0.00 C ATOM 2050 CG LEU A1044 2.082 -14.915 7.562 1.00 0.00 C ATOM 2051 CD1 LEU A1044 1.081 -15.357 8.631 1.00 0.00 C ATOM 2052 CD2 LEU A1044 3.099 -13.910 8.108 1.00 0.00 C ATOM 0 H LEU A1044 1.982 -14.890 4.955 1.00 0.00 H new ATOM 0 HA LEU A1044 2.736 -17.556 5.394 1.00 0.00 H new ATOM 0 HB2 LEU A1044 2.966 -16.858 7.722 1.00 0.00 H new ATOM 0 HB3 LEU A1044 3.761 -15.800 6.573 1.00 0.00 H new ATOM 0 HG LEU A1044 1.515 -14.408 6.781 1.00 0.00 H new ATOM 0 HD11 LEU A1044 0.595 -14.480 9.059 1.00 0.00 H new ATOM 0 HD12 LEU A1044 0.330 -16.005 8.180 1.00 0.00 H new ATOM 0 HD13 LEU A1044 1.605 -15.901 9.417 1.00 0.00 H new ATOM 0 HD21 LEU A1044 2.573 -13.062 8.546 1.00 0.00 H new ATOM 0 HD22 LEU A1044 3.712 -14.390 8.871 1.00 0.00 H new ATOM 0 HD23 LEU A1044 3.738 -13.561 7.296 1.00 0.00 H new ATOM 2064 N LYS A1045 -0.325 -16.841 6.232 1.00 0.00 N ATOM 2065 CA LYS A1045 -1.596 -17.423 6.630 1.00 0.00 C ATOM 2066 C LYS A1045 -1.835 -18.707 5.832 1.00 0.00 C ATOM 2067 O LYS A1045 -2.597 -19.574 6.259 1.00 0.00 O ATOM 2068 CB LYS A1045 -2.722 -16.397 6.494 1.00 0.00 C ATOM 2069 CG LYS A1045 -3.672 -16.464 7.691 1.00 0.00 C ATOM 2070 CD LYS A1045 -4.011 -15.063 8.203 1.00 0.00 C ATOM 2071 CE LYS A1045 -5.352 -15.057 8.939 1.00 0.00 C ATOM 2072 NZ LYS A1045 -5.183 -14.553 10.320 1.00 0.00 N ATOM 0 H LYS A1045 -0.372 -15.859 5.961 1.00 0.00 H new ATOM 0 HA LYS A1045 -1.575 -17.700 7.684 1.00 0.00 H new ATOM 0 HB2 LYS A1045 -2.299 -15.395 6.417 1.00 0.00 H new ATOM 0 HB3 LYS A1045 -3.277 -16.581 5.574 1.00 0.00 H new ATOM 0 HG2 LYS A1045 -4.588 -16.981 7.404 1.00 0.00 H new ATOM 0 HG3 LYS A1045 -3.214 -17.046 8.491 1.00 0.00 H new ATOM 0 HD2 LYS A1045 -3.224 -14.716 8.872 1.00 0.00 H new ATOM 0 HD3 LYS A1045 -4.048 -14.365 7.366 1.00 0.00 H new ATOM 0 HE2 LYS A1045 -6.065 -14.432 8.402 1.00 0.00 H new ATOM 0 HE3 LYS A1045 -5.766 -16.065 8.962 1.00 0.00 H new ATOM 0 HZ1 LYS A1045 -6.103 -14.556 10.805 1.00 0.00 H new ATOM 0 HZ2 LYS A1045 -4.518 -15.166 10.834 1.00 0.00 H new ATOM 0 HZ3 LYS A1045 -4.809 -13.583 10.292 1.00 0.00 H new ATOM 2086 N MET A1046 -1.170 -18.789 4.689 1.00 0.00 N ATOM 2087 CA MET A1046 -1.301 -19.952 3.829 1.00 0.00 C ATOM 2088 C MET A1046 -0.226 -20.993 4.147 1.00 0.00 C ATOM 2089 O MET A1046 -0.496 -22.193 4.134 1.00 0.00 O ATOM 2090 CB MET A1046 -1.177 -19.522 2.366 1.00 0.00 C ATOM 2091 CG MET A1046 0.081 -20.112 1.725 1.00 0.00 C ATOM 2092 SD MET A1046 0.178 -19.626 0.010 1.00 0.00 S ATOM 2093 CE MET A1046 0.369 -17.861 0.199 1.00 0.00 C ATOM 0 H MET A1046 -0.539 -18.068 4.339 1.00 0.00 H new ATOM 0 HA MET A1046 -2.279 -20.401 4.004 1.00 0.00 H new ATOM 0 HB2 MET A1046 -2.058 -19.846 1.812 1.00 0.00 H new ATOM 0 HB3 MET A1046 -1.145 -18.434 2.305 1.00 0.00 H new ATOM 0 HG2 MET A1046 0.967 -19.769 2.259 1.00 0.00 H new ATOM 0 HG3 MET A1046 0.063 -21.199 1.803 1.00 0.00 H new ATOM 0 HE1 MET A1046 1.192 -17.515 -0.427 1.00 0.00 H new ATOM 0 HE2 MET A1046 -0.551 -17.361 -0.102 1.00 0.00 H new ATOM 0 HE3 MET A1046 0.584 -17.628 1.242 1.00 0.00 H new ATOM 2103 N ILE A1047 0.970 -20.496 4.426 1.00 0.00 N ATOM 2104 CA ILE A1047 2.087 -21.369 4.747 1.00 0.00 C ATOM 2105 C ILE A1047 1.785 -22.118 6.047 1.00 0.00 C ATOM 2106 O ILE A1047 1.947 -23.336 6.117 1.00 0.00 O ATOM 2107 CB ILE A1047 3.394 -20.574 4.784 1.00 0.00 C ATOM 2108 CG1 ILE A1047 3.894 -20.275 3.370 1.00 0.00 C ATOM 2109 CG2 ILE A1047 4.450 -21.295 5.625 1.00 0.00 C ATOM 2110 CD1 ILE A1047 4.478 -18.864 3.281 1.00 0.00 C ATOM 0 H ILE A1047 1.190 -19.500 4.437 1.00 0.00 H new ATOM 0 HA ILE A1047 2.220 -22.121 3.969 1.00 0.00 H new ATOM 0 HB ILE A1047 3.198 -19.616 5.265 1.00 0.00 H new ATOM 0 HG12 ILE A1047 4.653 -21.005 3.087 1.00 0.00 H new ATOM 0 HG13 ILE A1047 3.073 -20.378 2.661 1.00 0.00 H new ATOM 0 HG21 ILE A1047 5.369 -20.709 5.635 1.00 0.00 H new ATOM 0 HG22 ILE A1047 4.084 -21.414 6.645 1.00 0.00 H new ATOM 0 HG23 ILE A1047 4.650 -22.276 5.195 1.00 0.00 H new ATOM 0 HD11 ILE A1047 4.826 -18.678 2.265 1.00 0.00 H new ATOM 0 HD12 ILE A1047 3.710 -18.135 3.541 1.00 0.00 H new ATOM 0 HD13 ILE A1047 5.315 -18.772 3.974 1.00 0.00 H new ATOM 2122 N SER A1048 1.353 -21.359 7.043 1.00 0.00 N ATOM 2123 CA SER A1048 1.027 -21.937 8.336 1.00 0.00 C ATOM 2124 C SER A1048 -0.041 -23.020 8.172 1.00 0.00 C ATOM 2125 O SER A1048 0.239 -24.204 8.350 1.00 0.00 O ATOM 2126 CB SER A1048 0.548 -20.862 9.314 1.00 0.00 C ATOM 2127 OG SER A1048 1.618 -20.038 9.768 1.00 0.00 O ATOM 0 H SER A1048 1.221 -20.349 6.981 1.00 0.00 H new ATOM 0 HA SER A1048 1.931 -22.387 8.747 1.00 0.00 H new ATOM 0 HB2 SER A1048 -0.207 -20.242 8.830 1.00 0.00 H new ATOM 0 HB3 SER A1048 0.069 -21.338 10.170 1.00 0.00 H new ATOM 0 HG SER A1048 1.271 -19.364 10.389 1.00 0.00 H new ATOM 2133 N GLN A1049 -1.242 -22.575 7.834 1.00 0.00 N ATOM 2134 CA GLN A1049 -2.353 -23.491 7.644 1.00 0.00 C ATOM 2135 C GLN A1049 -1.898 -24.721 6.856 1.00 0.00 C ATOM 2136 O GLN A1049 -1.944 -25.840 7.364 1.00 0.00 O ATOM 2137 CB GLN A1049 -3.525 -22.796 6.947 1.00 0.00 C ATOM 2138 CG GLN A1049 -4.743 -22.718 7.869 1.00 0.00 C ATOM 2139 CD GLN A1049 -5.387 -24.095 8.044 1.00 0.00 C ATOM 2140 OE1 GLN A1049 -6.017 -24.632 7.148 1.00 0.00 O ATOM 2141 NE2 GLN A1049 -5.195 -24.633 9.245 1.00 0.00 N ATOM 0 H GLN A1049 -1.470 -21.592 7.687 1.00 0.00 H new ATOM 0 HA GLN A1049 -2.699 -23.819 8.624 1.00 0.00 H new ATOM 0 HB2 GLN A1049 -3.229 -21.792 6.644 1.00 0.00 H new ATOM 0 HB3 GLN A1049 -3.786 -23.339 6.039 1.00 0.00 H new ATOM 0 HG2 GLN A1049 -4.443 -22.327 8.841 1.00 0.00 H new ATOM 0 HG3 GLN A1049 -5.472 -22.021 7.456 1.00 0.00 H new ATOM 0 HE21 GLN A1049 -4.657 -24.129 9.950 1.00 0.00 H new ATOM 0 HE22 GLN A1049 -5.586 -25.550 9.461 1.00 0.00 H new ATOM 2150 N SER A1050 -1.469 -24.472 5.627 1.00 0.00 N ATOM 2151 CA SER A1050 -1.006 -25.545 4.764 1.00 0.00 C ATOM 2152 C SER A1050 -0.120 -26.508 5.556 1.00 0.00 C ATOM 2153 O SER A1050 -0.453 -27.683 5.704 1.00 0.00 O ATOM 2154 CB SER A1050 -0.243 -24.991 3.559 1.00 0.00 C ATOM 2155 OG SER A1050 0.460 -26.013 2.857 1.00 0.00 O ATOM 0 H SER A1050 -1.432 -23.542 5.209 1.00 0.00 H new ATOM 0 HA SER A1050 -1.877 -26.085 4.392 1.00 0.00 H new ATOM 0 HB2 SER A1050 -0.942 -24.501 2.881 1.00 0.00 H new ATOM 0 HB3 SER A1050 0.462 -24.231 3.895 1.00 0.00 H new ATOM 0 HG SER A1050 0.933 -25.620 2.094 1.00 0.00 H new ATOM 2161 N ARG A1051 0.990 -25.975 6.045 1.00 0.00 N ATOM 2162 CA ARG A1051 1.926 -26.773 6.818 1.00 0.00 C ATOM 2163 C ARG A1051 1.244 -27.323 8.073 1.00 0.00 C ATOM 2164 O ARG A1051 0.770 -26.558 8.911 1.00 0.00 O ATOM 2165 CB ARG A1051 3.146 -25.947 7.229 1.00 0.00 C ATOM 2166 CG ARG A1051 4.071 -25.703 6.035 1.00 0.00 C ATOM 2167 CD ARG A1051 5.449 -26.323 6.273 1.00 0.00 C ATOM 2168 NE ARG A1051 6.336 -26.041 5.122 1.00 0.00 N ATOM 2169 CZ ARG A1051 7.617 -26.428 5.049 1.00 0.00 C ATOM 2170 NH1 ARG A1051 8.168 -27.115 6.058 1.00 0.00 N ATOM 2171 NH2 ARG A1051 8.347 -26.127 3.966 1.00 0.00 N ATOM 0 H ARG A1051 1.262 -25.000 5.921 1.00 0.00 H new ATOM 0 HA ARG A1051 2.257 -27.599 6.188 1.00 0.00 H new ATOM 0 HB2 ARG A1051 2.821 -24.992 7.642 1.00 0.00 H new ATOM 0 HB3 ARG A1051 3.692 -26.466 8.017 1.00 0.00 H new ATOM 0 HG2 ARG A1051 3.628 -26.128 5.134 1.00 0.00 H new ATOM 0 HG3 ARG A1051 4.175 -24.632 5.864 1.00 0.00 H new ATOM 0 HD2 ARG A1051 5.886 -25.920 7.187 1.00 0.00 H new ATOM 0 HD3 ARG A1051 5.353 -27.400 6.414 1.00 0.00 H new ATOM 0 HE ARG A1051 5.948 -25.520 4.336 1.00 0.00 H new ATOM 0 HH11 ARG A1051 7.613 -27.344 6.882 1.00 0.00 H new ATOM 0 HH12 ARG A1051 9.143 -27.409 6.002 1.00 0.00 H new ATOM 0 HH21 ARG A1051 7.928 -25.603 3.198 1.00 0.00 H new ATOM 0 HH22 ARG A1051 9.322 -26.421 3.910 1.00 0.00 H new ATOM 2185 N PRO A1052 1.217 -28.679 8.165 1.00 0.00 N ATOM 2186 CA PRO A1052 0.602 -29.340 9.304 1.00 0.00 C ATOM 2187 C PRO A1052 1.493 -29.239 10.543 1.00 0.00 C ATOM 2188 O PRO A1052 2.527 -28.575 10.516 1.00 0.00 O ATOM 2189 CB PRO A1052 0.374 -30.773 8.851 1.00 0.00 C ATOM 2190 CG PRO A1052 1.286 -30.982 7.653 1.00 0.00 C ATOM 2191 CD PRO A1052 1.769 -29.617 7.192 1.00 0.00 C ATOM 0 HA PRO A1052 -0.338 -28.876 9.602 1.00 0.00 H new ATOM 0 HB2 PRO A1052 0.610 -31.477 9.649 1.00 0.00 H new ATOM 0 HB3 PRO A1052 -0.669 -30.936 8.581 1.00 0.00 H new ATOM 0 HG2 PRO A1052 2.131 -31.615 7.923 1.00 0.00 H new ATOM 0 HG3 PRO A1052 0.751 -31.489 6.850 1.00 0.00 H new ATOM 0 HD2 PRO A1052 2.858 -29.569 7.170 1.00 0.00 H new ATOM 0 HD3 PRO A1052 1.419 -29.393 6.184 1.00 0.00 H new ATOM 2199 N HIS A1053 1.059 -29.909 11.601 1.00 0.00 N ATOM 2200 CA HIS A1053 1.804 -29.903 12.848 1.00 0.00 C ATOM 2201 C HIS A1053 3.155 -30.592 12.642 1.00 0.00 C ATOM 2202 O HIS A1053 3.209 -31.788 12.363 1.00 0.00 O ATOM 2203 CB HIS A1053 0.983 -30.534 13.975 1.00 0.00 C ATOM 2204 CG HIS A1053 0.701 -29.599 15.127 1.00 0.00 C ATOM 2205 ND1 HIS A1053 -0.417 -29.720 15.933 1.00 0.00 N ATOM 2206 CD2 HIS A1053 1.403 -28.530 15.599 1.00 0.00 C ATOM 2207 CE1 HIS A1053 -0.380 -28.760 16.846 1.00 0.00 C ATOM 2208 NE2 HIS A1053 0.749 -28.023 16.637 1.00 0.00 N ATOM 0 H HIS A1053 0.201 -30.460 11.620 1.00 0.00 H new ATOM 0 HA HIS A1053 2.002 -28.875 13.152 1.00 0.00 H new ATOM 0 HB2 HIS A1053 0.036 -30.887 13.567 1.00 0.00 H new ATOM 0 HB3 HIS A1053 1.514 -31.408 14.352 1.00 0.00 H new ATOM 0 HD2 HIS A1053 2.334 -28.158 15.197 1.00 0.00 H new ATOM 0 HE1 HIS A1053 -1.114 -28.591 17.620 1.00 0.00 H new ATOM 0 HE2 HIS A1053 1.042 -27.216 17.187 1.00 0.00 H new TER 2216 HIS A1053