USER MOD reduce.3.24.130724 H: found=0, std=0, add=1100, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 1101 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: A1041 GLN : amide:sc= 0.723 K(o=1.6,f=-6.2!) USER MOD Set 1.2: A1045 LYS NZ :NH3+ 149:sc= 0.86 (180deg=0.46) USER MOD Set 2.1: A1006 GLN : amide:sc= -0.506 X(o=-0.96,f=-1.2) USER MOD Set 2.2: A1007 GLN : amide:sc= -0.456 X(o=-0.96,f=-0.76) USER MOD Set 3.1: A 954 MET CE :methyl -124:sc= -2.2 (180deg=-5.08!) USER MOD Set 3.2: A1021 MET CE :methyl 179:sc= -2.21 (180deg=-2.09!) USER MOD Set 4.1: A 951 TYR OH : rot 150:sc= 0 USER MOD Set 4.2: A1014 GLN :FLIP amide:sc= -4.13! C(o=-5.3!,f=-4.1!) USER MOD Single : A 921 SER OG : rot 180:sc= 0 USER MOD Single : A 922 ASN :FLIP amide:sc= -0.446 F(o=-1.1,f=-0.45) USER MOD Single : A 924 LYS NZ :NH3+ 170:sc= -0.0142 (180deg=-0.111) USER MOD Single : A 926 TYR OH : rot 180:sc= 0 USER MOD Single : A 928 ASN :FLIP amide:sc= -0.425 F(o=-1.1,f=-0.43) USER MOD Single : A 930 THR OG1 : rot 91:sc= 1.23 USER MOD Single : A 934 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 939 MET CE :methyl -124:sc= -0.719 (180deg=-1.86) USER MOD Single : A 940 SER OG : rot 180:sc= 0 USER MOD Single : A 941 SER OG : rot 70:sc= 1.23 USER MOD Single : A 942 LYS NZ :NH3+ 169:sc=-0.00189 (180deg=-0.225) USER MOD Single : A 944 GLN : amide:sc= -0.571 X(o=-0.57,f=-0.29) USER MOD Single : A 956 LYS NZ :NH3+ -142:sc= -1.21! (180deg=-3.77!) USER MOD Single : A 964 THR OG1 : rot 91:sc= 1.21 USER MOD Single : A 968 THR OG1 : rot -118:sc= -0.681 USER MOD Single : A 972 SER OG : rot -84:sc= -2.73! USER MOD Single : A 979 SER OG : rot 5:sc= 1.06 USER MOD Single : A 980 THR OG1 : rot -41:sc= -0.756 USER MOD Single : A 981 HIS : no HD1:sc= -2.72! C(o=-2.7!,f=-4.3!) USER MOD Single : A 986 MET CE :methyl 139:sc= -0.761 (180deg=-1.92) USER MOD Single : A 988 GLN : amide:sc= -1.92! X(o=-1.9!,f=-2.2) USER MOD Single : A 989 LYS NZ :NH3+ 163:sc= -0.0561 (180deg=-0.323) USER MOD Single : A 992 ASN : amide:sc= 0 X(o=0,f=-0.064) USER MOD Single : A 993 SER OG : rot 82:sc= 0.55 USER MOD Single : A1000 ASN : amide:sc= 1.21 K(o=1.2,f=-0.24) USER MOD Single : A1001 LYS NZ :NH3+ -173:sc= -1.45 (180deg=-1.71) USER MOD Single : A1002 MET CE :methyl -135:sc= -0.727 (180deg=-3.52!) USER MOD Single : A1003 LYS NZ :NH3+ 165:sc= -0.0445 (180deg=-0.268) USER MOD Single : A1008 TYR OH : rot 180:sc= 0 USER MOD Single : A1010 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A1011 THR OG1 : rot 180:sc= 0 USER MOD Single : A1012 SER OG : rot 180:sc= 0 USER MOD Single : A1015 GLN : amide:sc= 0 X(o=0,f=-0.5) USER MOD Single : A1017 TYR OH : rot 180:sc= 0 USER MOD Single : A1018 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A1019 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A1020 GLN : amide:sc= -0.171 K(o=-0.17,f=-1) USER MOD Single : A1023 THR OG1 : rot 69:sc= 1.18 USER MOD Single : A1026 HIS : no HD1:sc= -0.414 X(o=-0.41,f=-0.032) USER MOD Single : A1033 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A1034 ASN : amide:sc= 0.163 K(o=0.16,f=-0.62) USER MOD Single : A1046 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A1048 SER OG : rot 180:sc= 0 USER MOD Single : A1049 GLN : amide:sc= -0.439 K(o=-0.44,f=-1.2) USER MOD Single : A1050 SER OG : rot 180:sc= 0 USER MOD Single : A1053 HIS : no HD1:sc= -0.0532 X(o=-0.053,f=-0.34) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 920 -8.577 -19.964 -1.924 1.00 0.00 N ATOM 2 CA ARG A 920 -8.488 -19.115 -0.747 1.00 0.00 C ATOM 3 C ARG A 920 -9.304 -17.852 -0.932 1.00 0.00 C ATOM 4 O ARG A 920 -9.221 -17.199 -1.971 1.00 0.00 O ATOM 5 CB ARG A 920 -7.031 -18.733 -0.496 1.00 0.00 C ATOM 6 CG ARG A 920 -6.827 -17.845 0.716 1.00 0.00 C ATOM 7 CD ARG A 920 -6.836 -18.653 2.002 1.00 0.00 C ATOM 8 NE ARG A 920 -7.493 -17.965 3.112 1.00 0.00 N ATOM 9 CZ ARG A 920 -6.920 -17.750 4.300 1.00 0.00 C ATOM 10 NH1 ARG A 920 -5.628 -17.997 4.477 1.00 0.00 N ATOM 11 NH2 ARG A 920 -7.633 -17.256 5.302 1.00 0.00 N ATOM 0 HA ARG A 920 -8.881 -19.670 0.105 1.00 0.00 H new ATOM 0 HB2 ARG A 920 -6.444 -19.643 -0.370 1.00 0.00 H new ATOM 0 HB3 ARG A 920 -6.643 -18.222 -1.377 1.00 0.00 H new ATOM 0 HG2 ARG A 920 -5.879 -17.314 0.625 1.00 0.00 H new ATOM 0 HG3 ARG A 920 -7.613 -17.091 0.753 1.00 0.00 H new ATOM 0 HD2 ARG A 920 -7.340 -19.603 1.823 1.00 0.00 H new ATOM 0 HD3 ARG A 920 -5.809 -18.885 2.284 1.00 0.00 H new ATOM 0 HE ARG A 920 -8.446 -17.629 2.971 1.00 0.00 H new ATOM 0 HH11 ARG A 920 -5.066 -18.353 3.704 1.00 0.00 H new ATOM 0 HH12 ARG A 920 -5.197 -17.831 5.386 1.00 0.00 H new ATOM 0 HH21 ARG A 920 -8.621 -17.039 5.167 1.00 0.00 H new ATOM 0 HH22 ARG A 920 -7.194 -17.092 6.208 1.00 0.00 H new ATOM 25 N SER A 921 -10.097 -17.512 0.064 1.00 0.00 N ATOM 26 CA SER A 921 -10.687 -16.198 0.110 1.00 0.00 C ATOM 27 C SER A 921 -9.559 -15.212 0.372 1.00 0.00 C ATOM 28 O SER A 921 -8.648 -15.514 1.145 1.00 0.00 O ATOM 29 CB SER A 921 -11.757 -16.120 1.202 1.00 0.00 C ATOM 30 OG SER A 921 -12.430 -14.871 1.181 1.00 0.00 O ATOM 0 H SER A 921 -10.343 -18.123 0.843 1.00 0.00 H new ATOM 0 HA SER A 921 -11.185 -15.964 -0.831 1.00 0.00 H new ATOM 0 HB2 SER A 921 -12.478 -16.926 1.065 1.00 0.00 H new ATOM 0 HB3 SER A 921 -11.294 -16.269 2.178 1.00 0.00 H new ATOM 0 HG SER A 921 -13.108 -14.853 1.888 1.00 0.00 H new ATOM 36 N ASN A 922 -9.586 -14.074 -0.301 1.00 0.00 N ATOM 37 CA ASN A 922 -8.505 -13.113 -0.249 1.00 0.00 C ATOM 38 C ASN A 922 -8.459 -12.408 1.073 1.00 0.00 C ATOM 39 O ASN A 922 -8.663 -11.195 1.137 1.00 0.00 O ATOM 40 CB ASN A 922 -8.647 -12.085 -1.353 1.00 0.00 C ATOM 41 CG ASN A 922 -9.582 -12.564 -2.428 1.00 0.00 C ATOM 42 OD1 ASN A 922 -9.040 -13.332 -3.341 1.00 0.00 O flip ATOM 43 ND2 ASN A 922 -10.775 -12.270 -2.422 1.00 0.00 N flip ATOM 0 H ASN A 922 -10.362 -13.793 -0.900 1.00 0.00 H new ATOM 0 HA ASN A 922 -7.577 -13.669 -0.384 1.00 0.00 H new ATOM 0 HB2 ASN A 922 -9.018 -11.149 -0.936 1.00 0.00 H new ATOM 0 HB3 ASN A 922 -7.669 -11.875 -1.786 1.00 0.00 H new ATOM 0 HD21 ASN A 922 -11.148 -11.668 -1.688 1.00 0.00 H new ATOM 0 HD22 ASN A 922 -11.392 -12.628 -3.151 1.00 0.00 H new ATOM 50 N ASP A 923 -8.117 -13.191 2.082 1.00 0.00 N ATOM 51 CA ASP A 923 -8.125 -12.817 3.487 1.00 0.00 C ATOM 52 C ASP A 923 -7.441 -11.471 3.734 1.00 0.00 C ATOM 53 O ASP A 923 -7.087 -10.756 2.810 1.00 0.00 O ATOM 54 CB ASP A 923 -7.456 -13.942 4.292 1.00 0.00 C ATOM 55 CG ASP A 923 -7.800 -13.902 5.772 1.00 0.00 C ATOM 56 OD1 ASP A 923 -8.897 -14.363 6.146 1.00 0.00 O ATOM 57 OD2 ASP A 923 -6.978 -13.397 6.568 1.00 0.00 O ATOM 0 H ASP A 923 -7.811 -14.153 1.937 1.00 0.00 H new ATOM 0 HA ASP A 923 -9.157 -12.690 3.814 1.00 0.00 H new ATOM 0 HB2 ASP A 923 -7.759 -14.905 3.881 1.00 0.00 H new ATOM 0 HB3 ASP A 923 -6.375 -13.871 4.174 1.00 0.00 H new ATOM 62 N LYS A 924 -7.299 -11.125 4.995 1.00 0.00 N ATOM 63 CA LYS A 924 -6.721 -9.844 5.439 1.00 0.00 C ATOM 64 C LYS A 924 -5.517 -9.406 4.573 1.00 0.00 C ATOM 65 O LYS A 924 -5.165 -8.227 4.541 1.00 0.00 O ATOM 66 CB LYS A 924 -6.308 -9.969 6.916 1.00 0.00 C ATOM 67 CG LYS A 924 -6.675 -8.766 7.780 1.00 0.00 C ATOM 68 CD LYS A 924 -5.735 -7.597 7.548 1.00 0.00 C ATOM 69 CE LYS A 924 -6.098 -6.380 8.389 1.00 0.00 C ATOM 70 NZ LYS A 924 -6.050 -6.660 9.846 1.00 0.00 N ATOM 0 H LYS A 924 -7.583 -11.728 5.767 1.00 0.00 H new ATOM 0 HA LYS A 924 -7.480 -9.070 5.325 1.00 0.00 H new ATOM 0 HB2 LYS A 924 -6.776 -10.859 7.337 1.00 0.00 H new ATOM 0 HB3 LYS A 924 -5.230 -10.122 6.967 1.00 0.00 H new ATOM 0 HG2 LYS A 924 -7.698 -8.459 7.560 1.00 0.00 H new ATOM 0 HG3 LYS A 924 -6.647 -9.052 8.832 1.00 0.00 H new ATOM 0 HD2 LYS A 924 -4.715 -7.904 7.780 1.00 0.00 H new ATOM 0 HD3 LYS A 924 -5.754 -7.324 6.493 1.00 0.00 H new ATOM 0 HE2 LYS A 924 -5.413 -5.565 8.156 1.00 0.00 H new ATOM 0 HE3 LYS A 924 -7.099 -6.042 8.120 1.00 0.00 H new ATOM 0 HZ1 LYS A 924 -6.137 -5.768 10.374 1.00 0.00 H new ATOM 0 HZ2 LYS A 924 -6.834 -7.293 10.104 1.00 0.00 H new ATOM 0 HZ3 LYS A 924 -5.145 -7.115 10.082 1.00 0.00 H new ATOM 84 N VAL A 925 -4.918 -10.359 3.860 1.00 0.00 N ATOM 85 CA VAL A 925 -3.855 -10.088 2.917 1.00 0.00 C ATOM 86 C VAL A 925 -4.316 -9.179 1.769 1.00 0.00 C ATOM 87 O VAL A 925 -3.784 -8.080 1.619 1.00 0.00 O ATOM 88 CB VAL A 925 -3.295 -11.409 2.331 1.00 0.00 C ATOM 89 CG1 VAL A 925 -2.390 -12.098 3.340 1.00 0.00 C ATOM 90 CG2 VAL A 925 -4.414 -12.353 1.916 1.00 0.00 C ATOM 0 H VAL A 925 -5.165 -11.346 3.928 1.00 0.00 H new ATOM 0 HA VAL A 925 -3.072 -9.568 3.468 1.00 0.00 H new ATOM 0 HB VAL A 925 -2.716 -11.154 1.443 1.00 0.00 H new ATOM 0 HG11 VAL A 925 -2.006 -13.024 2.912 1.00 0.00 H new ATOM 0 HG12 VAL A 925 -1.557 -11.441 3.590 1.00 0.00 H new ATOM 0 HG13 VAL A 925 -2.957 -12.324 4.243 1.00 0.00 H new ATOM 0 HG21 VAL A 925 -3.985 -13.269 1.510 1.00 0.00 H new ATOM 0 HG22 VAL A 925 -5.028 -12.594 2.784 1.00 0.00 H new ATOM 0 HG23 VAL A 925 -5.032 -11.873 1.157 1.00 0.00 H new ATOM 100 N TYR A 926 -5.357 -9.566 1.015 1.00 0.00 N ATOM 101 CA TYR A 926 -5.794 -8.735 -0.104 1.00 0.00 C ATOM 102 C TYR A 926 -6.622 -7.581 0.438 1.00 0.00 C ATOM 103 O TYR A 926 -6.644 -6.475 -0.107 1.00 0.00 O ATOM 104 CB TYR A 926 -6.614 -9.571 -1.083 1.00 0.00 C ATOM 105 CG TYR A 926 -7.476 -8.760 -2.026 1.00 0.00 C ATOM 106 CD1 TYR A 926 -6.950 -8.212 -3.189 1.00 0.00 C ATOM 107 CD2 TYR A 926 -8.822 -8.548 -1.748 1.00 0.00 C ATOM 108 CE1 TYR A 926 -7.741 -7.478 -4.049 1.00 0.00 C ATOM 109 CE2 TYR A 926 -9.617 -7.816 -2.602 1.00 0.00 C ATOM 110 CZ TYR A 926 -9.074 -7.283 -3.749 1.00 0.00 C ATOM 111 OH TYR A 926 -9.870 -6.551 -4.602 1.00 0.00 O ATOM 0 H TYR A 926 -5.893 -10.422 1.157 1.00 0.00 H new ATOM 0 HA TYR A 926 -4.929 -8.340 -0.636 1.00 0.00 H new ATOM 0 HB2 TYR A 926 -5.936 -10.190 -1.671 1.00 0.00 H new ATOM 0 HB3 TYR A 926 -7.253 -10.248 -0.517 1.00 0.00 H new ATOM 0 HD1 TYR A 926 -5.907 -8.363 -3.424 1.00 0.00 H new ATOM 0 HD2 TYR A 926 -9.251 -8.964 -0.848 1.00 0.00 H new ATOM 0 HE1 TYR A 926 -7.320 -7.059 -4.951 1.00 0.00 H new ATOM 0 HE2 TYR A 926 -10.661 -7.661 -2.373 1.00 0.00 H new ATOM 0 HH TYR A 926 -10.782 -6.510 -4.244 1.00 0.00 H new ATOM 121 N GLU A 927 -7.297 -7.874 1.532 1.00 0.00 N ATOM 122 CA GLU A 927 -8.215 -6.950 2.159 1.00 0.00 C ATOM 123 C GLU A 927 -7.523 -5.667 2.610 1.00 0.00 C ATOM 124 O GLU A 927 -7.867 -4.578 2.149 1.00 0.00 O ATOM 125 CB GLU A 927 -8.884 -7.658 3.331 1.00 0.00 C ATOM 126 CG GLU A 927 -9.835 -8.757 2.887 1.00 0.00 C ATOM 127 CD GLU A 927 -11.042 -8.227 2.139 1.00 0.00 C ATOM 128 OE1 GLU A 927 -10.913 -7.878 0.948 1.00 0.00 O ATOM 129 OE2 GLU A 927 -12.132 -8.166 2.743 1.00 0.00 O ATOM 0 H GLU A 927 -7.221 -8.770 2.014 1.00 0.00 H new ATOM 0 HA GLU A 927 -8.966 -6.646 1.430 1.00 0.00 H new ATOM 0 HB2 GLU A 927 -8.117 -8.086 3.977 1.00 0.00 H new ATOM 0 HB3 GLU A 927 -9.432 -6.928 3.927 1.00 0.00 H new ATOM 0 HG2 GLU A 927 -9.298 -9.459 2.249 1.00 0.00 H new ATOM 0 HG3 GLU A 927 -10.172 -9.314 3.761 1.00 0.00 H new ATOM 136 N ASN A 928 -6.534 -5.789 3.485 1.00 0.00 N ATOM 137 CA ASN A 928 -5.906 -4.604 4.058 1.00 0.00 C ATOM 138 C ASN A 928 -5.007 -3.901 3.050 1.00 0.00 C ATOM 139 O ASN A 928 -4.859 -2.684 3.101 1.00 0.00 O ATOM 140 CB ASN A 928 -5.108 -4.936 5.313 1.00 0.00 C ATOM 141 CG ASN A 928 -4.756 -3.691 6.107 1.00 0.00 C ATOM 142 OD1 ASN A 928 -3.623 -3.082 5.796 1.00 0.00 O flip ATOM 143 ND2 ASN A 928 -5.503 -3.275 6.991 1.00 0.00 N flip ATOM 0 H ASN A 928 -6.154 -6.678 3.810 1.00 0.00 H new ATOM 0 HA ASN A 928 -6.717 -3.929 4.332 1.00 0.00 H new ATOM 0 HB2 ASN A 928 -5.685 -5.616 5.940 1.00 0.00 H new ATOM 0 HB3 ASN A 928 -4.193 -5.459 5.034 1.00 0.00 H new ATOM 0 HD21 ASN A 928 -6.369 -3.771 7.203 1.00 0.00 H new ATOM 0 HD22 ASN A 928 -5.257 -2.434 7.512 1.00 0.00 H new ATOM 150 N VAL A 929 -4.380 -4.652 2.153 1.00 0.00 N ATOM 151 CA VAL A 929 -3.564 -4.023 1.121 1.00 0.00 C ATOM 152 C VAL A 929 -4.432 -3.131 0.221 1.00 0.00 C ATOM 153 O VAL A 929 -4.007 -2.054 -0.196 1.00 0.00 O ATOM 154 CB VAL A 929 -2.776 -5.053 0.283 1.00 0.00 C ATOM 155 CG1 VAL A 929 -3.705 -5.957 -0.496 1.00 0.00 C ATOM 156 CG2 VAL A 929 -1.793 -4.348 -0.638 1.00 0.00 C ATOM 0 H VAL A 929 -4.418 -5.671 2.117 1.00 0.00 H new ATOM 0 HA VAL A 929 -2.826 -3.401 1.627 1.00 0.00 H new ATOM 0 HB VAL A 929 -2.210 -5.684 0.968 1.00 0.00 H new ATOM 0 HG11 VAL A 929 -3.118 -6.670 -1.075 1.00 0.00 H new ATOM 0 HG12 VAL A 929 -4.352 -6.497 0.196 1.00 0.00 H new ATOM 0 HG13 VAL A 929 -4.315 -5.357 -1.171 1.00 0.00 H new ATOM 0 HG21 VAL A 929 -1.246 -5.088 -1.221 1.00 0.00 H new ATOM 0 HG22 VAL A 929 -2.336 -3.685 -1.311 1.00 0.00 H new ATOM 0 HG23 VAL A 929 -1.091 -3.764 -0.043 1.00 0.00 H new ATOM 166 N THR A 930 -5.658 -3.569 -0.058 1.00 0.00 N ATOM 167 CA THR A 930 -6.624 -2.715 -0.734 1.00 0.00 C ATOM 168 C THR A 930 -7.004 -1.548 0.179 1.00 0.00 C ATOM 169 O THR A 930 -7.256 -0.434 -0.279 1.00 0.00 O ATOM 170 CB THR A 930 -7.888 -3.503 -1.129 1.00 0.00 C ATOM 171 OG1 THR A 930 -7.520 -4.670 -1.879 1.00 0.00 O ATOM 172 CG2 THR A 930 -8.832 -2.647 -1.961 1.00 0.00 C ATOM 0 H THR A 930 -6.001 -4.502 0.172 1.00 0.00 H new ATOM 0 HA THR A 930 -6.165 -2.335 -1.647 1.00 0.00 H new ATOM 0 HB THR A 930 -8.402 -3.797 -0.214 1.00 0.00 H new ATOM 0 HG1 THR A 930 -7.389 -5.424 -1.267 1.00 0.00 H new ATOM 0 HG21 THR A 930 -9.715 -3.230 -2.225 1.00 0.00 H new ATOM 0 HG22 THR A 930 -9.134 -1.772 -1.385 1.00 0.00 H new ATOM 0 HG23 THR A 930 -8.325 -2.325 -2.870 1.00 0.00 H new ATOM 180 N GLY A 931 -7.033 -1.828 1.478 1.00 0.00 N ATOM 181 CA GLY A 931 -7.231 -0.793 2.481 1.00 0.00 C ATOM 182 C GLY A 931 -6.170 0.295 2.408 1.00 0.00 C ATOM 183 O GLY A 931 -6.439 1.453 2.718 1.00 0.00 O ATOM 0 H GLY A 931 -6.921 -2.767 1.860 1.00 0.00 H new ATOM 0 HA2 GLY A 931 -8.216 -0.346 2.348 1.00 0.00 H new ATOM 0 HA3 GLY A 931 -7.217 -1.245 3.473 1.00 0.00 H new ATOM 187 N LEU A 932 -4.964 -0.079 1.994 1.00 0.00 N ATOM 188 CA LEU A 932 -3.897 0.885 1.754 1.00 0.00 C ATOM 189 C LEU A 932 -4.297 1.832 0.626 1.00 0.00 C ATOM 190 O LEU A 932 -4.083 3.044 0.708 1.00 0.00 O ATOM 191 CB LEU A 932 -2.596 0.147 1.421 1.00 0.00 C ATOM 192 CG LEU A 932 -1.423 1.014 0.947 1.00 0.00 C ATOM 193 CD1 LEU A 932 -1.131 2.131 1.934 1.00 0.00 C ATOM 194 CD2 LEU A 932 -0.183 0.155 0.749 1.00 0.00 C ATOM 0 H LEU A 932 -4.701 -1.048 1.817 1.00 0.00 H new ATOM 0 HA LEU A 932 -3.732 1.478 2.653 1.00 0.00 H new ATOM 0 HB2 LEU A 932 -2.278 -0.403 2.307 1.00 0.00 H new ATOM 0 HB3 LEU A 932 -2.810 -0.591 0.648 1.00 0.00 H new ATOM 0 HG LEU A 932 -1.701 1.467 -0.005 1.00 0.00 H new ATOM 0 HD11 LEU A 932 -0.295 2.728 1.571 1.00 0.00 H new ATOM 0 HD12 LEU A 932 -2.012 2.765 2.037 1.00 0.00 H new ATOM 0 HD13 LEU A 932 -0.877 1.703 2.903 1.00 0.00 H new ATOM 0 HD21 LEU A 932 0.643 0.781 0.412 1.00 0.00 H new ATOM 0 HD22 LEU A 932 0.084 -0.322 1.692 1.00 0.00 H new ATOM 0 HD23 LEU A 932 -0.386 -0.611 0.000 1.00 0.00 H new ATOM 206 N VAL A 933 -4.900 1.272 -0.417 1.00 0.00 N ATOM 207 CA VAL A 933 -5.447 2.074 -1.503 1.00 0.00 C ATOM 208 C VAL A 933 -6.557 2.984 -0.974 1.00 0.00 C ATOM 209 O VAL A 933 -6.637 4.157 -1.319 1.00 0.00 O ATOM 210 CB VAL A 933 -6.009 1.194 -2.643 1.00 0.00 C ATOM 211 CG1 VAL A 933 -6.511 2.053 -3.795 1.00 0.00 C ATOM 212 CG2 VAL A 933 -4.960 0.204 -3.126 1.00 0.00 C ATOM 0 H VAL A 933 -5.022 0.266 -0.533 1.00 0.00 H new ATOM 0 HA VAL A 933 -4.632 2.674 -1.907 1.00 0.00 H new ATOM 0 HB VAL A 933 -6.854 0.630 -2.249 1.00 0.00 H new ATOM 0 HG11 VAL A 933 -6.901 1.411 -4.584 1.00 0.00 H new ATOM 0 HG12 VAL A 933 -7.302 2.713 -3.439 1.00 0.00 H new ATOM 0 HG13 VAL A 933 -5.689 2.652 -4.188 1.00 0.00 H new ATOM 0 HG21 VAL A 933 -5.377 -0.405 -3.928 1.00 0.00 H new ATOM 0 HG22 VAL A 933 -4.091 0.747 -3.497 1.00 0.00 H new ATOM 0 HG23 VAL A 933 -4.660 -0.440 -2.300 1.00 0.00 H new ATOM 222 N LYS A 934 -7.405 2.423 -0.126 1.00 0.00 N ATOM 223 CA LYS A 934 -8.490 3.172 0.503 1.00 0.00 C ATOM 224 C LYS A 934 -7.947 4.386 1.246 1.00 0.00 C ATOM 225 O LYS A 934 -8.526 5.471 1.195 1.00 0.00 O ATOM 226 CB LYS A 934 -9.260 2.291 1.493 1.00 0.00 C ATOM 227 CG LYS A 934 -9.766 0.968 0.930 1.00 0.00 C ATOM 228 CD LYS A 934 -10.771 1.159 -0.194 1.00 0.00 C ATOM 229 CE LYS A 934 -10.098 1.235 -1.553 1.00 0.00 C ATOM 230 NZ LYS A 934 -11.070 1.581 -2.620 1.00 0.00 N ATOM 0 H LYS A 934 -7.364 1.441 0.147 1.00 0.00 H new ATOM 0 HA LYS A 934 -9.163 3.500 -0.290 1.00 0.00 H new ATOM 0 HB2 LYS A 934 -8.614 2.081 2.346 1.00 0.00 H new ATOM 0 HB3 LYS A 934 -10.112 2.856 1.870 1.00 0.00 H new ATOM 0 HG2 LYS A 934 -8.921 0.387 0.562 1.00 0.00 H new ATOM 0 HG3 LYS A 934 -10.227 0.389 1.730 1.00 0.00 H new ATOM 0 HD2 LYS A 934 -11.483 0.334 -0.188 1.00 0.00 H new ATOM 0 HD3 LYS A 934 -11.340 2.072 -0.020 1.00 0.00 H new ATOM 0 HE2 LYS A 934 -9.304 1.981 -1.526 1.00 0.00 H new ATOM 0 HE3 LYS A 934 -9.629 0.278 -1.782 1.00 0.00 H new ATOM 0 HZ1 LYS A 934 -10.579 1.625 -3.536 1.00 0.00 H new ATOM 0 HZ2 LYS A 934 -11.814 0.855 -2.661 1.00 0.00 H new ATOM 0 HZ3 LYS A 934 -11.499 2.505 -2.412 1.00 0.00 H new ATOM 244 N ALA A 935 -6.828 4.196 1.925 1.00 0.00 N ATOM 245 CA ALA A 935 -6.226 5.253 2.718 1.00 0.00 C ATOM 246 C ALA A 935 -5.549 6.300 1.846 1.00 0.00 C ATOM 247 O ALA A 935 -5.504 7.476 2.200 1.00 0.00 O ATOM 248 CB ALA A 935 -5.241 4.669 3.703 1.00 0.00 C ATOM 0 H ALA A 935 -6.316 3.314 1.942 1.00 0.00 H new ATOM 0 HA ALA A 935 -7.025 5.753 3.265 1.00 0.00 H new ATOM 0 HB1 ALA A 935 -4.796 5.471 4.292 1.00 0.00 H new ATOM 0 HB2 ALA A 935 -5.758 3.976 4.366 1.00 0.00 H new ATOM 0 HB3 ALA A 935 -4.457 4.138 3.163 1.00 0.00 H new ATOM 254 N VAL A 936 -5.018 5.893 0.701 1.00 0.00 N ATOM 255 CA VAL A 936 -4.466 6.867 -0.224 1.00 0.00 C ATOM 256 C VAL A 936 -5.604 7.558 -0.974 1.00 0.00 C ATOM 257 O VAL A 936 -5.439 8.641 -1.541 1.00 0.00 O ATOM 258 CB VAL A 936 -3.405 6.262 -1.180 1.00 0.00 C ATOM 259 CG1 VAL A 936 -4.009 5.238 -2.119 1.00 0.00 C ATOM 260 CG2 VAL A 936 -2.697 7.352 -1.968 1.00 0.00 C ATOM 0 H VAL A 936 -4.959 4.921 0.398 1.00 0.00 H new ATOM 0 HA VAL A 936 -3.924 7.615 0.354 1.00 0.00 H new ATOM 0 HB VAL A 936 -2.671 5.749 -0.559 1.00 0.00 H new ATOM 0 HG11 VAL A 936 -3.232 4.839 -2.771 1.00 0.00 H new ATOM 0 HG12 VAL A 936 -4.448 4.426 -1.539 1.00 0.00 H new ATOM 0 HG13 VAL A 936 -4.783 5.711 -2.724 1.00 0.00 H new ATOM 0 HG21 VAL A 936 -1.958 6.901 -2.630 1.00 0.00 H new ATOM 0 HG22 VAL A 936 -3.426 7.905 -2.560 1.00 0.00 H new ATOM 0 HG23 VAL A 936 -2.198 8.033 -1.279 1.00 0.00 H new ATOM 270 N ILE A 937 -6.779 6.944 -0.927 1.00 0.00 N ATOM 271 CA ILE A 937 -7.998 7.626 -1.326 1.00 0.00 C ATOM 272 C ILE A 937 -8.359 8.655 -0.253 1.00 0.00 C ATOM 273 O ILE A 937 -8.748 9.780 -0.564 1.00 0.00 O ATOM 274 CB ILE A 937 -9.181 6.653 -1.539 1.00 0.00 C ATOM 275 CG1 ILE A 937 -8.889 5.695 -2.698 1.00 0.00 C ATOM 276 CG2 ILE A 937 -10.472 7.417 -1.797 1.00 0.00 C ATOM 277 CD1 ILE A 937 -8.650 6.386 -4.025 1.00 0.00 C ATOM 0 H ILE A 937 -6.911 5.981 -0.618 1.00 0.00 H new ATOM 0 HA ILE A 937 -7.813 8.113 -2.284 1.00 0.00 H new ATOM 0 HB ILE A 937 -9.305 6.068 -0.627 1.00 0.00 H new ATOM 0 HG12 ILE A 937 -8.013 5.097 -2.449 1.00 0.00 H new ATOM 0 HG13 ILE A 937 -9.726 5.005 -2.805 1.00 0.00 H new ATOM 0 HG21 ILE A 937 -11.289 6.711 -1.944 1.00 0.00 H new ATOM 0 HG22 ILE A 937 -10.694 8.056 -0.942 1.00 0.00 H new ATOM 0 HG23 ILE A 937 -10.359 8.032 -2.690 1.00 0.00 H new ATOM 0 HD11 ILE A 937 -8.450 5.639 -4.793 1.00 0.00 H new ATOM 0 HD12 ILE A 937 -9.534 6.962 -4.300 1.00 0.00 H new ATOM 0 HD13 ILE A 937 -7.794 7.055 -3.938 1.00 0.00 H new ATOM 289 N GLU A 938 -8.223 8.252 1.014 1.00 0.00 N ATOM 290 CA GLU A 938 -8.383 9.168 2.151 1.00 0.00 C ATOM 291 C GLU A 938 -7.473 10.374 2.008 1.00 0.00 C ATOM 292 O GLU A 938 -7.856 11.491 2.348 1.00 0.00 O ATOM 293 CB GLU A 938 -8.082 8.468 3.477 1.00 0.00 C ATOM 294 CG GLU A 938 -9.046 7.336 3.784 1.00 0.00 C ATOM 295 CD GLU A 938 -8.826 6.723 5.147 1.00 0.00 C ATOM 296 OE1 GLU A 938 -8.002 5.799 5.262 1.00 0.00 O ATOM 297 OE2 GLU A 938 -9.504 7.141 6.108 1.00 0.00 O ATOM 0 H GLU A 938 -8.001 7.293 1.280 1.00 0.00 H new ATOM 0 HA GLU A 938 -9.422 9.497 2.152 1.00 0.00 H new ATOM 0 HB2 GLU A 938 -7.066 8.075 3.451 1.00 0.00 H new ATOM 0 HB3 GLU A 938 -8.121 9.199 4.284 1.00 0.00 H new ATOM 0 HG2 GLU A 938 -10.068 7.710 3.721 1.00 0.00 H new ATOM 0 HG3 GLU A 938 -8.942 6.562 3.023 1.00 0.00 H new ATOM 304 N MET A 939 -6.275 10.140 1.487 1.00 0.00 N ATOM 305 CA MET A 939 -5.329 11.217 1.237 1.00 0.00 C ATOM 306 C MET A 939 -5.961 12.239 0.303 1.00 0.00 C ATOM 307 O MET A 939 -5.925 13.437 0.558 1.00 0.00 O ATOM 308 CB MET A 939 -4.048 10.669 0.603 1.00 0.00 C ATOM 309 CG MET A 939 -2.999 11.735 0.328 1.00 0.00 C ATOM 310 SD MET A 939 -1.708 11.169 -0.795 1.00 0.00 S ATOM 311 CE MET A 939 -2.653 10.989 -2.305 1.00 0.00 C ATOM 0 H MET A 939 -5.937 9.213 1.230 1.00 0.00 H new ATOM 0 HA MET A 939 -5.076 11.690 2.186 1.00 0.00 H new ATOM 0 HB2 MET A 939 -3.621 9.913 1.262 1.00 0.00 H new ATOM 0 HB3 MET A 939 -4.301 10.170 -0.333 1.00 0.00 H new ATOM 0 HG2 MET A 939 -3.483 12.614 -0.096 1.00 0.00 H new ATOM 0 HG3 MET A 939 -2.546 12.044 1.270 1.00 0.00 H new ATOM 0 HE1 MET A 939 -2.547 9.972 -2.682 1.00 0.00 H new ATOM 0 HE2 MET A 939 -3.704 11.193 -2.103 1.00 0.00 H new ATOM 0 HE3 MET A 939 -2.284 11.693 -3.051 1.00 0.00 H new ATOM 321 N SER A 940 -6.586 11.739 -0.753 1.00 0.00 N ATOM 322 CA SER A 940 -7.239 12.590 -1.732 1.00 0.00 C ATOM 323 C SER A 940 -8.520 13.191 -1.161 1.00 0.00 C ATOM 324 O SER A 940 -8.882 14.318 -1.484 1.00 0.00 O ATOM 325 CB SER A 940 -7.571 11.786 -2.990 1.00 0.00 C ATOM 326 OG SER A 940 -8.046 12.622 -4.031 1.00 0.00 O ATOM 0 H SER A 940 -6.654 10.741 -0.953 1.00 0.00 H new ATOM 0 HA SER A 940 -6.555 13.399 -1.987 1.00 0.00 H new ATOM 0 HB2 SER A 940 -6.682 11.253 -3.327 1.00 0.00 H new ATOM 0 HB3 SER A 940 -8.324 11.034 -2.754 1.00 0.00 H new ATOM 0 HG SER A 940 -8.248 12.078 -4.821 1.00 0.00 H new ATOM 332 N SER A 941 -9.194 12.450 -0.296 1.00 0.00 N ATOM 333 CA SER A 941 -10.505 12.867 0.175 1.00 0.00 C ATOM 334 C SER A 941 -10.357 13.956 1.226 1.00 0.00 C ATOM 335 O SER A 941 -11.006 15.013 1.174 1.00 0.00 O ATOM 336 CB SER A 941 -11.269 11.670 0.745 1.00 0.00 C ATOM 337 OG SER A 941 -11.352 10.621 -0.209 1.00 0.00 O ATOM 0 H SER A 941 -8.860 11.567 0.090 1.00 0.00 H new ATOM 0 HA SER A 941 -11.072 13.268 -0.665 1.00 0.00 H new ATOM 0 HB2 SER A 941 -10.770 11.310 1.645 1.00 0.00 H new ATOM 0 HB3 SER A 941 -12.272 11.980 1.039 1.00 0.00 H new ATOM 0 HG SER A 941 -10.464 10.228 -0.341 1.00 0.00 H new ATOM 343 N LYS A 942 -9.461 13.708 2.160 1.00 0.00 N ATOM 344 CA LYS A 942 -9.288 14.596 3.276 1.00 0.00 C ATOM 345 C LYS A 942 -8.464 15.818 2.865 1.00 0.00 C ATOM 346 O LYS A 942 -8.476 16.819 3.561 1.00 0.00 O ATOM 347 CB LYS A 942 -8.689 13.829 4.472 1.00 0.00 C ATOM 348 CG LYS A 942 -7.178 13.821 4.562 1.00 0.00 C ATOM 349 CD LYS A 942 -6.677 15.027 5.336 1.00 0.00 C ATOM 350 CE LYS A 942 -7.288 15.091 6.729 1.00 0.00 C ATOM 351 NZ LYS A 942 -7.104 13.820 7.474 1.00 0.00 N ATOM 0 H LYS A 942 -8.844 12.896 2.162 1.00 0.00 H new ATOM 0 HA LYS A 942 -10.257 14.977 3.600 1.00 0.00 H new ATOM 0 HB2 LYS A 942 -9.086 14.260 5.391 1.00 0.00 H new ATOM 0 HB3 LYS A 942 -9.037 12.797 4.428 1.00 0.00 H new ATOM 0 HG2 LYS A 942 -6.843 12.906 5.050 1.00 0.00 H new ATOM 0 HG3 LYS A 942 -6.750 13.823 3.560 1.00 0.00 H new ATOM 0 HD2 LYS A 942 -5.591 14.983 5.416 1.00 0.00 H new ATOM 0 HD3 LYS A 942 -6.920 15.938 4.789 1.00 0.00 H new ATOM 0 HE2 LYS A 942 -6.832 15.908 7.288 1.00 0.00 H new ATOM 0 HE3 LYS A 942 -8.352 15.314 6.649 1.00 0.00 H new ATOM 0 HZ1 LYS A 942 -7.363 13.961 8.471 1.00 0.00 H new ATOM 0 HZ2 LYS A 942 -7.711 13.084 7.060 1.00 0.00 H new ATOM 0 HZ3 LYS A 942 -6.109 13.523 7.414 1.00 0.00 H new ATOM 365 N ILE A 943 -7.771 15.751 1.721 1.00 0.00 N ATOM 366 CA ILE A 943 -7.098 16.940 1.185 1.00 0.00 C ATOM 367 C ILE A 943 -8.106 17.841 0.485 1.00 0.00 C ATOM 368 O ILE A 943 -7.898 19.054 0.374 1.00 0.00 O ATOM 369 CB ILE A 943 -5.954 16.615 0.188 1.00 0.00 C ATOM 370 CG1 ILE A 943 -5.167 17.889 -0.144 1.00 0.00 C ATOM 371 CG2 ILE A 943 -6.494 15.997 -1.093 1.00 0.00 C ATOM 372 CD1 ILE A 943 -4.111 17.705 -1.212 1.00 0.00 C ATOM 0 H ILE A 943 -7.663 14.906 1.160 1.00 0.00 H new ATOM 0 HA ILE A 943 -6.651 17.439 2.045 1.00 0.00 H new ATOM 0 HB ILE A 943 -5.292 15.891 0.663 1.00 0.00 H new ATOM 0 HG12 ILE A 943 -5.866 18.660 -0.469 1.00 0.00 H new ATOM 0 HG13 ILE A 943 -4.689 18.254 0.765 1.00 0.00 H new ATOM 0 HG21 ILE A 943 -5.667 15.781 -1.770 1.00 0.00 H new ATOM 0 HG22 ILE A 943 -7.020 15.072 -0.857 1.00 0.00 H new ATOM 0 HG23 ILE A 943 -7.182 16.694 -1.571 1.00 0.00 H new ATOM 0 HD11 ILE A 943 -3.601 18.653 -1.387 1.00 0.00 H new ATOM 0 HD12 ILE A 943 -3.387 16.959 -0.884 1.00 0.00 H new ATOM 0 HD13 ILE A 943 -4.583 17.371 -2.136 1.00 0.00 H new ATOM 384 N GLN A 944 -9.199 17.241 0.007 1.00 0.00 N ATOM 385 CA GLN A 944 -10.254 17.999 -0.648 1.00 0.00 C ATOM 386 C GLN A 944 -10.684 19.184 0.222 1.00 0.00 C ATOM 387 O GLN A 944 -10.671 20.322 -0.249 1.00 0.00 O ATOM 388 CB GLN A 944 -11.462 17.113 -0.994 1.00 0.00 C ATOM 389 CG GLN A 944 -11.199 16.075 -2.072 1.00 0.00 C ATOM 390 CD GLN A 944 -10.571 16.648 -3.325 1.00 0.00 C ATOM 391 OE1 GLN A 944 -11.262 17.117 -4.233 1.00 0.00 O ATOM 392 NE2 GLN A 944 -9.260 16.565 -3.401 1.00 0.00 N ATOM 0 H GLN A 944 -9.371 16.237 0.063 1.00 0.00 H new ATOM 0 HA GLN A 944 -9.851 18.382 -1.586 1.00 0.00 H new ATOM 0 HB2 GLN A 944 -11.792 16.602 -0.089 1.00 0.00 H new ATOM 0 HB3 GLN A 944 -12.284 17.752 -1.317 1.00 0.00 H new ATOM 0 HG2 GLN A 944 -10.545 15.302 -1.669 1.00 0.00 H new ATOM 0 HG3 GLN A 944 -12.139 15.591 -2.336 1.00 0.00 H new ATOM 0 HE21 GLN A 944 -8.728 16.170 -2.626 1.00 0.00 H new ATOM 0 HE22 GLN A 944 -8.776 16.896 -4.235 1.00 0.00 H new ATOM 401 N PRO A 945 -11.057 18.962 1.504 1.00 0.00 N ATOM 402 CA PRO A 945 -11.433 20.048 2.400 1.00 0.00 C ATOM 403 C PRO A 945 -10.359 20.410 3.444 1.00 0.00 C ATOM 404 O PRO A 945 -10.696 20.773 4.574 1.00 0.00 O ATOM 405 CB PRO A 945 -12.646 19.434 3.092 1.00 0.00 C ATOM 406 CG PRO A 945 -12.349 17.964 3.168 1.00 0.00 C ATOM 407 CD PRO A 945 -11.231 17.681 2.186 1.00 0.00 C ATOM 0 HA PRO A 945 -11.597 20.986 1.870 1.00 0.00 H new ATOM 0 HB2 PRO A 945 -12.791 19.859 4.085 1.00 0.00 H new ATOM 0 HB3 PRO A 945 -13.559 19.623 2.528 1.00 0.00 H new ATOM 0 HG2 PRO A 945 -12.053 17.683 4.179 1.00 0.00 H new ATOM 0 HG3 PRO A 945 -13.235 17.379 2.921 1.00 0.00 H new ATOM 0 HD2 PRO A 945 -10.319 17.367 2.693 1.00 0.00 H new ATOM 0 HD3 PRO A 945 -11.498 16.886 1.489 1.00 0.00 H new ATOM 415 N ALA A 946 -9.078 20.346 3.086 1.00 0.00 N ATOM 416 CA ALA A 946 -8.023 20.608 4.069 1.00 0.00 C ATOM 417 C ALA A 946 -6.879 21.459 3.514 1.00 0.00 C ATOM 418 O ALA A 946 -6.643 21.500 2.305 1.00 0.00 O ATOM 419 CB ALA A 946 -7.476 19.299 4.607 1.00 0.00 C ATOM 0 H ALA A 946 -8.748 20.121 2.147 1.00 0.00 H new ATOM 0 HA ALA A 946 -8.483 21.183 4.873 1.00 0.00 H new ATOM 0 HB1 ALA A 946 -6.693 19.504 5.337 1.00 0.00 H new ATOM 0 HB2 ALA A 946 -8.279 18.738 5.085 1.00 0.00 H new ATOM 0 HB3 ALA A 946 -7.063 18.713 3.786 1.00 0.00 H new ATOM 425 N PRO A 947 -6.160 22.160 4.417 1.00 0.00 N ATOM 426 CA PRO A 947 -4.984 22.963 4.082 1.00 0.00 C ATOM 427 C PRO A 947 -3.680 22.148 4.176 1.00 0.00 C ATOM 428 O PRO A 947 -3.723 20.945 4.444 1.00 0.00 O ATOM 429 CB PRO A 947 -5.031 24.039 5.165 1.00 0.00 C ATOM 430 CG PRO A 947 -5.551 23.331 6.368 1.00 0.00 C ATOM 431 CD PRO A 947 -6.458 22.237 5.862 1.00 0.00 C ATOM 0 HA PRO A 947 -4.996 23.345 3.061 1.00 0.00 H new ATOM 0 HB2 PRO A 947 -4.043 24.461 5.349 1.00 0.00 H new ATOM 0 HB3 PRO A 947 -5.682 24.864 4.877 1.00 0.00 H new ATOM 0 HG2 PRO A 947 -4.734 22.916 6.957 1.00 0.00 H new ATOM 0 HG3 PRO A 947 -6.095 24.017 7.017 1.00 0.00 H new ATOM 0 HD2 PRO A 947 -6.256 21.289 6.361 1.00 0.00 H new ATOM 0 HD3 PRO A 947 -7.507 22.475 6.040 1.00 0.00 H new ATOM 439 N PRO A 948 -2.500 22.785 3.957 1.00 0.00 N ATOM 440 CA PRO A 948 -1.190 22.107 4.052 1.00 0.00 C ATOM 441 C PRO A 948 -1.000 21.353 5.366 1.00 0.00 C ATOM 442 O PRO A 948 -0.341 20.294 5.411 1.00 0.00 O ATOM 443 CB PRO A 948 -0.186 23.254 3.946 1.00 0.00 C ATOM 444 CG PRO A 948 -0.897 24.307 3.173 1.00 0.00 C ATOM 445 CD PRO A 948 -2.344 24.202 3.564 1.00 0.00 C ATOM 0 HA PRO A 948 -1.079 21.346 3.279 1.00 0.00 H new ATOM 0 HB2 PRO A 948 0.107 23.616 4.931 1.00 0.00 H new ATOM 0 HB3 PRO A 948 0.725 22.937 3.439 1.00 0.00 H new ATOM 0 HG2 PRO A 948 -0.501 25.296 3.405 1.00 0.00 H new ATOM 0 HG3 PRO A 948 -0.771 24.156 2.101 1.00 0.00 H new ATOM 0 HD2 PRO A 948 -2.586 24.875 4.387 1.00 0.00 H new ATOM 0 HD3 PRO A 948 -3.002 24.462 2.735 1.00 0.00 H new ATOM 453 N GLU A 949 -1.609 21.886 6.417 1.00 0.00 N ATOM 454 CA GLU A 949 -1.554 21.278 7.731 1.00 0.00 C ATOM 455 C GLU A 949 -2.007 19.831 7.668 1.00 0.00 C ATOM 456 O GLU A 949 -1.453 18.982 8.349 1.00 0.00 O ATOM 457 CB GLU A 949 -2.424 22.060 8.709 1.00 0.00 C ATOM 458 CG GLU A 949 -1.934 23.474 8.950 1.00 0.00 C ATOM 459 CD GLU A 949 -2.812 24.240 9.913 1.00 0.00 C ATOM 460 OE1 GLU A 949 -3.786 24.870 9.459 1.00 0.00 O ATOM 461 OE2 GLU A 949 -2.522 24.228 11.125 1.00 0.00 O ATOM 0 H GLU A 949 -2.152 22.749 6.379 1.00 0.00 H new ATOM 0 HA GLU A 949 -0.522 21.302 8.080 1.00 0.00 H new ATOM 0 HB2 GLU A 949 -3.444 22.097 8.327 1.00 0.00 H new ATOM 0 HB3 GLU A 949 -2.458 21.528 9.660 1.00 0.00 H new ATOM 0 HG2 GLU A 949 -0.917 23.440 9.341 1.00 0.00 H new ATOM 0 HG3 GLU A 949 -1.893 24.007 8.000 1.00 0.00 H new ATOM 468 N GLU A 950 -2.992 19.547 6.821 1.00 0.00 N ATOM 469 CA GLU A 950 -3.468 18.185 6.664 1.00 0.00 C ATOM 470 C GLU A 950 -2.863 17.505 5.442 1.00 0.00 C ATOM 471 O GLU A 950 -3.164 16.344 5.181 1.00 0.00 O ATOM 472 CB GLU A 950 -4.989 18.110 6.580 1.00 0.00 C ATOM 473 CG GLU A 950 -5.693 18.121 7.930 1.00 0.00 C ATOM 474 CD GLU A 950 -5.502 19.411 8.698 1.00 0.00 C ATOM 475 OE1 GLU A 950 -6.194 20.398 8.384 1.00 0.00 O ATOM 476 OE2 GLU A 950 -4.684 19.433 9.638 1.00 0.00 O ATOM 0 H GLU A 950 -3.469 20.237 6.240 1.00 0.00 H new ATOM 0 HA GLU A 950 -3.143 17.655 7.559 1.00 0.00 H new ATOM 0 HB2 GLU A 950 -5.350 18.951 5.988 1.00 0.00 H new ATOM 0 HB3 GLU A 950 -5.267 17.202 6.046 1.00 0.00 H new ATOM 0 HG2 GLU A 950 -6.759 17.953 7.777 1.00 0.00 H new ATOM 0 HG3 GLU A 950 -5.322 17.291 8.531 1.00 0.00 H new ATOM 483 N TYR A 951 -2.010 18.206 4.701 1.00 0.00 N ATOM 484 CA TYR A 951 -1.295 17.573 3.596 1.00 0.00 C ATOM 485 C TYR A 951 -0.435 16.454 4.141 1.00 0.00 C ATOM 486 O TYR A 951 -0.344 15.372 3.563 1.00 0.00 O ATOM 487 CB TYR A 951 -0.405 18.556 2.831 1.00 0.00 C ATOM 488 CG TYR A 951 -1.149 19.565 1.991 1.00 0.00 C ATOM 489 CD1 TYR A 951 -2.525 19.501 1.825 1.00 0.00 C ATOM 490 CD2 TYR A 951 -0.461 20.593 1.364 1.00 0.00 C ATOM 491 CE1 TYR A 951 -3.194 20.435 1.058 1.00 0.00 C ATOM 492 CE2 TYR A 951 -1.120 21.527 0.597 1.00 0.00 C ATOM 493 CZ TYR A 951 -2.487 21.448 0.447 1.00 0.00 C ATOM 494 OH TYR A 951 -3.149 22.385 -0.312 1.00 0.00 O ATOM 0 H TYR A 951 -1.799 19.194 4.841 1.00 0.00 H new ATOM 0 HA TYR A 951 -2.041 17.193 2.898 1.00 0.00 H new ATOM 0 HB2 TYR A 951 0.220 19.091 3.547 1.00 0.00 H new ATOM 0 HB3 TYR A 951 0.265 17.989 2.184 1.00 0.00 H new ATOM 0 HD1 TYR A 951 -3.082 18.709 2.303 1.00 0.00 H new ATOM 0 HD2 TYR A 951 0.611 20.662 1.479 1.00 0.00 H new ATOM 0 HE1 TYR A 951 -4.265 20.372 0.938 1.00 0.00 H new ATOM 0 HE2 TYR A 951 -0.567 22.319 0.114 1.00 0.00 H new ATOM 0 HH TYR A 951 -2.667 23.238 -0.272 1.00 0.00 H new ATOM 504 N VAL A 952 0.196 16.714 5.270 1.00 0.00 N ATOM 505 CA VAL A 952 0.976 15.670 5.913 1.00 0.00 C ATOM 506 C VAL A 952 0.066 14.621 6.616 1.00 0.00 C ATOM 507 O VAL A 952 0.213 13.430 6.360 1.00 0.00 O ATOM 508 CB VAL A 952 2.110 16.240 6.827 1.00 0.00 C ATOM 509 CG1 VAL A 952 1.743 17.590 7.437 1.00 0.00 C ATOM 510 CG2 VAL A 952 2.492 15.252 7.918 1.00 0.00 C ATOM 0 H VAL A 952 0.187 17.613 5.752 1.00 0.00 H new ATOM 0 HA VAL A 952 1.501 15.128 5.126 1.00 0.00 H new ATOM 0 HB VAL A 952 2.975 16.397 6.182 1.00 0.00 H new ATOM 0 HG11 VAL A 952 2.563 17.942 8.063 1.00 0.00 H new ATOM 0 HG12 VAL A 952 1.559 18.311 6.641 1.00 0.00 H new ATOM 0 HG13 VAL A 952 0.844 17.483 8.044 1.00 0.00 H new ATOM 0 HG21 VAL A 952 3.282 15.679 8.535 1.00 0.00 H new ATOM 0 HG22 VAL A 952 1.621 15.041 8.539 1.00 0.00 H new ATOM 0 HG23 VAL A 952 2.847 14.327 7.463 1.00 0.00 H new ATOM 520 N PRO A 953 -0.904 15.015 7.477 1.00 0.00 N ATOM 521 CA PRO A 953 -1.887 14.070 8.050 1.00 0.00 C ATOM 522 C PRO A 953 -2.619 13.194 7.028 1.00 0.00 C ATOM 523 O PRO A 953 -2.972 12.057 7.339 1.00 0.00 O ATOM 524 CB PRO A 953 -2.892 14.988 8.717 1.00 0.00 C ATOM 525 CG PRO A 953 -2.078 16.145 9.143 1.00 0.00 C ATOM 526 CD PRO A 953 -1.078 16.348 8.042 1.00 0.00 C ATOM 0 HA PRO A 953 -1.382 13.357 8.701 1.00 0.00 H new ATOM 0 HB2 PRO A 953 -3.682 15.286 8.027 1.00 0.00 H new ATOM 0 HB3 PRO A 953 -3.375 14.504 9.566 1.00 0.00 H new ATOM 0 HG2 PRO A 953 -2.696 17.032 9.282 1.00 0.00 H new ATOM 0 HG3 PRO A 953 -1.583 15.949 10.094 1.00 0.00 H new ATOM 0 HD2 PRO A 953 -1.443 17.054 7.296 1.00 0.00 H new ATOM 0 HD3 PRO A 953 -0.138 16.746 8.424 1.00 0.00 H new ATOM 534 N MET A 954 -2.887 13.714 5.834 1.00 0.00 N ATOM 535 CA MET A 954 -3.599 12.931 4.824 1.00 0.00 C ATOM 536 C MET A 954 -2.728 11.771 4.354 1.00 0.00 C ATOM 537 O MET A 954 -3.188 10.637 4.235 1.00 0.00 O ATOM 538 CB MET A 954 -4.021 13.790 3.629 1.00 0.00 C ATOM 539 CG MET A 954 -2.874 14.276 2.776 1.00 0.00 C ATOM 540 SD MET A 954 -3.415 15.295 1.408 1.00 0.00 S ATOM 541 CE MET A 954 -1.845 15.646 0.639 1.00 0.00 C ATOM 0 H MET A 954 -2.628 14.657 5.543 1.00 0.00 H new ATOM 0 HA MET A 954 -4.506 12.542 5.286 1.00 0.00 H new ATOM 0 HB2 MET A 954 -4.703 13.213 3.005 1.00 0.00 H new ATOM 0 HB3 MET A 954 -4.577 14.653 3.995 1.00 0.00 H new ATOM 0 HG2 MET A 954 -2.181 14.845 3.396 1.00 0.00 H new ATOM 0 HG3 MET A 954 -2.325 13.418 2.389 1.00 0.00 H new ATOM 0 HE1 MET A 954 -1.709 16.725 0.566 1.00 0.00 H new ATOM 0 HE2 MET A 954 -1.042 15.219 1.240 1.00 0.00 H new ATOM 0 HE3 MET A 954 -1.823 15.209 -0.359 1.00 0.00 H new ATOM 551 N VAL A 955 -1.464 12.056 4.074 1.00 0.00 N ATOM 552 CA VAL A 955 -0.525 10.999 3.751 1.00 0.00 C ATOM 553 C VAL A 955 -0.320 10.082 4.951 1.00 0.00 C ATOM 554 O VAL A 955 -0.020 8.899 4.797 1.00 0.00 O ATOM 555 CB VAL A 955 0.819 11.542 3.227 1.00 0.00 C ATOM 556 CG1 VAL A 955 1.811 10.412 3.016 1.00 0.00 C ATOM 557 CG2 VAL A 955 0.598 12.304 1.930 1.00 0.00 C ATOM 0 H VAL A 955 -1.072 12.998 4.064 1.00 0.00 H new ATOM 0 HA VAL A 955 -0.960 10.418 2.938 1.00 0.00 H new ATOM 0 HB VAL A 955 1.234 12.221 3.971 1.00 0.00 H new ATOM 0 HG11 VAL A 955 2.752 10.818 2.646 1.00 0.00 H new ATOM 0 HG12 VAL A 955 1.984 9.899 3.962 1.00 0.00 H new ATOM 0 HG13 VAL A 955 1.410 9.707 2.289 1.00 0.00 H new ATOM 0 HG21 VAL A 955 1.552 12.685 1.565 1.00 0.00 H new ATOM 0 HG22 VAL A 955 0.165 11.636 1.185 1.00 0.00 H new ATOM 0 HG23 VAL A 955 -0.081 13.137 2.109 1.00 0.00 H new ATOM 567 N LYS A 956 -0.509 10.625 6.150 1.00 0.00 N ATOM 568 CA LYS A 956 -0.439 9.811 7.362 1.00 0.00 C ATOM 569 C LYS A 956 -1.487 8.704 7.288 1.00 0.00 C ATOM 570 O LYS A 956 -1.256 7.581 7.738 1.00 0.00 O ATOM 571 CB LYS A 956 -0.679 10.663 8.608 1.00 0.00 C ATOM 572 CG LYS A 956 -0.489 9.906 9.914 1.00 0.00 C ATOM 573 CD LYS A 956 -1.086 10.653 11.103 1.00 0.00 C ATOM 574 CE LYS A 956 -2.590 10.431 11.219 1.00 0.00 C ATOM 575 NZ LYS A 956 -3.352 11.079 10.118 1.00 0.00 N ATOM 0 H LYS A 956 -0.709 11.612 6.309 1.00 0.00 H new ATOM 0 HA LYS A 956 0.558 9.376 7.432 1.00 0.00 H new ATOM 0 HB2 LYS A 956 0.000 11.515 8.591 1.00 0.00 H new ATOM 0 HB3 LYS A 956 -1.693 11.062 8.574 1.00 0.00 H new ATOM 0 HG2 LYS A 956 -0.954 8.923 9.834 1.00 0.00 H new ATOM 0 HG3 LYS A 956 0.575 9.743 10.086 1.00 0.00 H new ATOM 0 HD2 LYS A 956 -0.599 10.323 12.020 1.00 0.00 H new ATOM 0 HD3 LYS A 956 -0.884 11.719 11.000 1.00 0.00 H new ATOM 0 HE2 LYS A 956 -2.796 9.361 11.217 1.00 0.00 H new ATOM 0 HE3 LYS A 956 -2.938 10.821 12.175 1.00 0.00 H new ATOM 0 HZ1 LYS A 956 -4.239 11.471 10.494 1.00 0.00 H new ATOM 0 HZ2 LYS A 956 -2.782 11.845 9.706 1.00 0.00 H new ATOM 0 HZ3 LYS A 956 -3.568 10.375 9.384 1.00 0.00 H new ATOM 589 N GLU A 957 -2.642 9.051 6.719 1.00 0.00 N ATOM 590 CA GLU A 957 -3.710 8.084 6.480 1.00 0.00 C ATOM 591 C GLU A 957 -3.171 6.903 5.670 1.00 0.00 C ATOM 592 O GLU A 957 -3.399 5.744 6.019 1.00 0.00 O ATOM 593 CB GLU A 957 -4.892 8.748 5.749 1.00 0.00 C ATOM 594 CG GLU A 957 -5.387 10.020 6.427 1.00 0.00 C ATOM 595 CD GLU A 957 -5.856 9.802 7.853 1.00 0.00 C ATOM 596 OE1 GLU A 957 -5.008 9.631 8.750 1.00 0.00 O ATOM 597 OE2 GLU A 957 -7.077 9.831 8.089 1.00 0.00 O ATOM 0 H GLU A 957 -2.861 10.000 6.414 1.00 0.00 H new ATOM 0 HA GLU A 957 -4.071 7.717 7.440 1.00 0.00 H new ATOM 0 HB2 GLU A 957 -4.592 8.983 4.728 1.00 0.00 H new ATOM 0 HB3 GLU A 957 -5.715 8.036 5.684 1.00 0.00 H new ATOM 0 HG2 GLU A 957 -4.585 10.759 6.425 1.00 0.00 H new ATOM 0 HG3 GLU A 957 -6.207 10.438 5.843 1.00 0.00 H new ATOM 604 N VAL A 958 -2.419 7.209 4.614 1.00 0.00 N ATOM 605 CA VAL A 958 -1.785 6.178 3.792 1.00 0.00 C ATOM 606 C VAL A 958 -0.647 5.471 4.540 1.00 0.00 C ATOM 607 O VAL A 958 -0.438 4.268 4.376 1.00 0.00 O ATOM 608 CB VAL A 958 -1.208 6.777 2.493 1.00 0.00 C ATOM 609 CG1 VAL A 958 -1.082 5.711 1.417 1.00 0.00 C ATOM 610 CG2 VAL A 958 -2.056 7.945 2.019 1.00 0.00 C ATOM 0 H VAL A 958 -2.233 8.164 4.307 1.00 0.00 H new ATOM 0 HA VAL A 958 -2.565 5.455 3.555 1.00 0.00 H new ATOM 0 HB VAL A 958 -0.207 7.155 2.702 1.00 0.00 H new ATOM 0 HG11 VAL A 958 -0.673 6.156 0.510 1.00 0.00 H new ATOM 0 HG12 VAL A 958 -0.417 4.920 1.765 1.00 0.00 H new ATOM 0 HG13 VAL A 958 -2.065 5.291 1.204 1.00 0.00 H new ATOM 0 HG21 VAL A 958 -1.632 8.354 1.102 1.00 0.00 H new ATOM 0 HG22 VAL A 958 -3.073 7.602 1.828 1.00 0.00 H new ATOM 0 HG23 VAL A 958 -2.072 8.718 2.787 1.00 0.00 H new ATOM 620 N GLY A 959 0.091 6.215 5.354 1.00 0.00 N ATOM 621 CA GLY A 959 1.234 5.639 6.041 1.00 0.00 C ATOM 622 C GLY A 959 0.838 4.634 7.101 1.00 0.00 C ATOM 623 O GLY A 959 1.437 3.564 7.205 1.00 0.00 O ATOM 0 H GLY A 959 -0.079 7.201 5.551 1.00 0.00 H new ATOM 0 HA2 GLY A 959 1.883 5.154 5.312 1.00 0.00 H new ATOM 0 HA3 GLY A 959 1.814 6.438 6.503 1.00 0.00 H new ATOM 627 N LEU A 960 -0.166 4.981 7.893 1.00 0.00 N ATOM 628 CA LEU A 960 -0.756 4.033 8.831 1.00 0.00 C ATOM 629 C LEU A 960 -1.347 2.844 8.086 1.00 0.00 C ATOM 630 O LEU A 960 -1.356 1.723 8.592 1.00 0.00 O ATOM 631 CB LEU A 960 -1.832 4.717 9.683 1.00 0.00 C ATOM 632 CG LEU A 960 -1.336 5.879 10.545 1.00 0.00 C ATOM 633 CD1 LEU A 960 -2.487 6.498 11.319 1.00 0.00 C ATOM 634 CD2 LEU A 960 -0.244 5.413 11.497 1.00 0.00 C ATOM 0 H LEU A 960 -0.589 5.909 7.906 1.00 0.00 H new ATOM 0 HA LEU A 960 0.031 3.671 9.493 1.00 0.00 H new ATOM 0 HB2 LEU A 960 -2.617 5.085 9.022 1.00 0.00 H new ATOM 0 HB3 LEU A 960 -2.287 3.970 10.334 1.00 0.00 H new ATOM 0 HG LEU A 960 -0.916 6.638 9.886 1.00 0.00 H new ATOM 0 HD11 LEU A 960 -2.115 7.323 11.927 1.00 0.00 H new ATOM 0 HD12 LEU A 960 -3.236 6.871 10.621 1.00 0.00 H new ATOM 0 HD13 LEU A 960 -2.937 5.745 11.966 1.00 0.00 H new ATOM 0 HD21 LEU A 960 0.095 6.254 12.101 1.00 0.00 H new ATOM 0 HD22 LEU A 960 -0.638 4.634 12.149 1.00 0.00 H new ATOM 0 HD23 LEU A 960 0.594 5.017 10.923 1.00 0.00 H new ATOM 646 N ALA A 961 -1.840 3.105 6.885 1.00 0.00 N ATOM 647 CA ALA A 961 -2.373 2.051 6.032 1.00 0.00 C ATOM 648 C ALA A 961 -1.296 1.042 5.646 1.00 0.00 C ATOM 649 O ALA A 961 -1.460 -0.149 5.894 1.00 0.00 O ATOM 650 CB ALA A 961 -3.021 2.632 4.795 1.00 0.00 C ATOM 0 H ALA A 961 -1.883 4.039 6.477 1.00 0.00 H new ATOM 0 HA ALA A 961 -3.134 1.523 6.606 1.00 0.00 H new ATOM 0 HB1 ALA A 961 -3.411 1.825 4.175 1.00 0.00 H new ATOM 0 HB2 ALA A 961 -3.838 3.291 5.088 1.00 0.00 H new ATOM 0 HB3 ALA A 961 -2.282 3.199 4.229 1.00 0.00 H new ATOM 656 N LEU A 962 -0.195 1.507 5.046 1.00 0.00 N ATOM 657 CA LEU A 962 0.890 0.613 4.670 1.00 0.00 C ATOM 658 C LEU A 962 1.518 -0.028 5.919 1.00 0.00 C ATOM 659 O LEU A 962 1.921 -1.189 5.882 1.00 0.00 O ATOM 660 CB LEU A 962 1.905 1.366 3.768 1.00 0.00 C ATOM 661 CG LEU A 962 3.223 0.652 3.410 1.00 0.00 C ATOM 662 CD1 LEU A 962 4.229 0.714 4.551 1.00 0.00 C ATOM 663 CD2 LEU A 962 2.961 -0.788 3.001 1.00 0.00 C ATOM 0 H LEU A 962 -0.038 2.488 4.815 1.00 0.00 H new ATOM 0 HA LEU A 962 0.506 -0.216 4.075 1.00 0.00 H new ATOM 0 HB2 LEU A 962 1.399 1.620 2.837 1.00 0.00 H new ATOM 0 HB3 LEU A 962 2.157 2.305 4.261 1.00 0.00 H new ATOM 0 HG LEU A 962 3.659 1.180 2.562 1.00 0.00 H new ATOM 0 HD11 LEU A 962 5.144 0.199 4.258 1.00 0.00 H new ATOM 0 HD12 LEU A 962 4.456 1.755 4.780 1.00 0.00 H new ATOM 0 HD13 LEU A 962 3.808 0.232 5.434 1.00 0.00 H new ATOM 0 HD21 LEU A 962 3.905 -1.273 2.753 1.00 0.00 H new ATOM 0 HD22 LEU A 962 2.486 -1.320 3.825 1.00 0.00 H new ATOM 0 HD23 LEU A 962 2.304 -0.805 2.131 1.00 0.00 H new ATOM 675 N ARG A 963 1.591 0.707 7.030 1.00 0.00 N ATOM 676 CA ARG A 963 2.002 0.110 8.307 1.00 0.00 C ATOM 677 C ARG A 963 1.087 -1.059 8.690 1.00 0.00 C ATOM 678 O ARG A 963 1.552 -2.174 8.916 1.00 0.00 O ATOM 679 CB ARG A 963 1.996 1.159 9.426 1.00 0.00 C ATOM 680 CG ARG A 963 2.358 0.586 10.788 1.00 0.00 C ATOM 681 CD ARG A 963 3.753 -0.016 10.777 1.00 0.00 C ATOM 682 NE ARG A 963 3.997 -0.887 11.924 1.00 0.00 N ATOM 683 CZ ARG A 963 5.036 -1.714 12.013 1.00 0.00 C ATOM 684 NH1 ARG A 963 5.973 -1.714 11.068 1.00 0.00 N ATOM 685 NH2 ARG A 963 5.153 -2.520 13.059 1.00 0.00 N ATOM 0 H ARG A 963 1.375 1.703 7.075 1.00 0.00 H new ATOM 0 HA ARG A 963 3.017 -0.268 8.181 1.00 0.00 H new ATOM 0 HB2 ARG A 963 2.699 1.953 9.175 1.00 0.00 H new ATOM 0 HB3 ARG A 963 1.008 1.615 9.482 1.00 0.00 H new ATOM 0 HG2 ARG A 963 2.304 1.371 11.542 1.00 0.00 H new ATOM 0 HG3 ARG A 963 1.632 -0.177 11.069 1.00 0.00 H new ATOM 0 HD2 ARG A 963 3.892 -0.584 9.857 1.00 0.00 H new ATOM 0 HD3 ARG A 963 4.491 0.786 10.771 1.00 0.00 H new ATOM 0 HE ARG A 963 3.335 -0.860 12.699 1.00 0.00 H new ATOM 0 HH11 ARG A 963 5.896 -1.079 10.273 1.00 0.00 H new ATOM 0 HH12 ARG A 963 6.768 -2.349 11.138 1.00 0.00 H new ATOM 0 HH21 ARG A 963 4.447 -2.506 13.795 1.00 0.00 H new ATOM 0 HH22 ARG A 963 5.949 -3.154 13.128 1.00 0.00 H new ATOM 699 N THR A 964 -0.208 -0.785 8.791 1.00 0.00 N ATOM 700 CA THR A 964 -1.194 -1.833 9.055 1.00 0.00 C ATOM 701 C THR A 964 -1.097 -2.944 8.003 1.00 0.00 C ATOM 702 O THR A 964 -1.340 -4.118 8.286 1.00 0.00 O ATOM 703 CB THR A 964 -2.625 -1.257 9.088 1.00 0.00 C ATOM 704 OG1 THR A 964 -2.678 -0.144 9.995 1.00 0.00 O ATOM 705 CG2 THR A 964 -3.629 -2.311 9.526 1.00 0.00 C ATOM 0 H THR A 964 -0.602 0.151 8.695 1.00 0.00 H new ATOM 0 HA THR A 964 -0.973 -2.256 10.035 1.00 0.00 H new ATOM 0 HB THR A 964 -2.883 -0.930 8.081 1.00 0.00 H new ATOM 0 HG1 THR A 964 -2.487 0.684 9.508 1.00 0.00 H new ATOM 0 HG21 THR A 964 -4.629 -1.877 9.540 1.00 0.00 H new ATOM 0 HG22 THR A 964 -3.606 -3.148 8.828 1.00 0.00 H new ATOM 0 HG23 THR A 964 -3.373 -2.665 10.525 1.00 0.00 H new ATOM 713 N LEU A 965 -0.710 -2.560 6.797 1.00 0.00 N ATOM 714 CA LEU A 965 -0.500 -3.502 5.712 1.00 0.00 C ATOM 715 C LEU A 965 0.677 -4.426 6.039 1.00 0.00 C ATOM 716 O LEU A 965 0.639 -5.617 5.752 1.00 0.00 O ATOM 717 CB LEU A 965 -0.278 -2.723 4.401 1.00 0.00 C ATOM 718 CG LEU A 965 0.023 -3.544 3.145 1.00 0.00 C ATOM 719 CD1 LEU A 965 1.493 -3.927 3.090 1.00 0.00 C ATOM 720 CD2 LEU A 965 -0.859 -4.781 3.089 1.00 0.00 C ATOM 0 H LEU A 965 -0.533 -1.588 6.544 1.00 0.00 H new ATOM 0 HA LEU A 965 -1.380 -4.133 5.586 1.00 0.00 H new ATOM 0 HB2 LEU A 965 -1.168 -2.124 4.208 1.00 0.00 H new ATOM 0 HB3 LEU A 965 0.547 -2.027 4.556 1.00 0.00 H new ATOM 0 HG LEU A 965 -0.199 -2.927 2.274 1.00 0.00 H new ATOM 0 HD11 LEU A 965 1.684 -4.510 2.189 1.00 0.00 H new ATOM 0 HD12 LEU A 965 2.104 -3.024 3.074 1.00 0.00 H new ATOM 0 HD13 LEU A 965 1.747 -4.522 3.967 1.00 0.00 H new ATOM 0 HD21 LEU A 965 -0.630 -5.351 2.189 1.00 0.00 H new ATOM 0 HD22 LEU A 965 -0.674 -5.400 3.967 1.00 0.00 H new ATOM 0 HD23 LEU A 965 -1.907 -4.480 3.071 1.00 0.00 H new ATOM 732 N LEU A 966 1.719 -3.857 6.627 1.00 0.00 N ATOM 733 CA LEU A 966 2.879 -4.632 7.073 1.00 0.00 C ATOM 734 C LEU A 966 2.453 -5.773 8.011 1.00 0.00 C ATOM 735 O LEU A 966 3.054 -6.848 8.002 1.00 0.00 O ATOM 736 CB LEU A 966 3.905 -3.706 7.745 1.00 0.00 C ATOM 737 CG LEU A 966 5.293 -4.309 8.006 1.00 0.00 C ATOM 738 CD1 LEU A 966 6.346 -3.212 8.007 1.00 0.00 C ATOM 739 CD2 LEU A 966 5.326 -5.056 9.333 1.00 0.00 C ATOM 0 H LEU A 966 1.790 -2.856 6.809 1.00 0.00 H new ATOM 0 HA LEU A 966 3.350 -5.088 6.202 1.00 0.00 H new ATOM 0 HB2 LEU A 966 4.028 -2.821 7.121 1.00 0.00 H new ATOM 0 HB3 LEU A 966 3.493 -3.371 8.697 1.00 0.00 H new ATOM 0 HG LEU A 966 5.509 -5.019 7.207 1.00 0.00 H new ATOM 0 HD11 LEU A 966 7.327 -3.649 8.193 1.00 0.00 H new ATOM 0 HD12 LEU A 966 6.350 -2.710 7.039 1.00 0.00 H new ATOM 0 HD13 LEU A 966 6.117 -2.489 8.790 1.00 0.00 H new ATOM 0 HD21 LEU A 966 6.321 -5.472 9.492 1.00 0.00 H new ATOM 0 HD22 LEU A 966 5.087 -4.368 10.144 1.00 0.00 H new ATOM 0 HD23 LEU A 966 4.594 -5.863 9.315 1.00 0.00 H new ATOM 751 N ALA A 967 1.409 -5.543 8.804 1.00 0.00 N ATOM 752 CA ALA A 967 0.850 -6.598 9.650 1.00 0.00 C ATOM 753 C ALA A 967 0.191 -7.677 8.788 1.00 0.00 C ATOM 754 O ALA A 967 0.349 -8.875 9.030 1.00 0.00 O ATOM 755 CB ALA A 967 -0.146 -6.017 10.639 1.00 0.00 C ATOM 0 H ALA A 967 0.935 -4.643 8.879 1.00 0.00 H new ATOM 0 HA ALA A 967 1.661 -7.057 10.215 1.00 0.00 H new ATOM 0 HB1 ALA A 967 -0.551 -6.816 11.259 1.00 0.00 H new ATOM 0 HB2 ALA A 967 0.355 -5.285 11.272 1.00 0.00 H new ATOM 0 HB3 ALA A 967 -0.957 -5.532 10.096 1.00 0.00 H new ATOM 761 N THR A 968 -0.549 -7.235 7.785 1.00 0.00 N ATOM 762 CA THR A 968 -1.081 -8.124 6.763 1.00 0.00 C ATOM 763 C THR A 968 0.048 -8.921 6.090 1.00 0.00 C ATOM 764 O THR A 968 -0.099 -10.111 5.802 1.00 0.00 O ATOM 765 CB THR A 968 -1.874 -7.311 5.720 1.00 0.00 C ATOM 766 OG1 THR A 968 -3.197 -7.085 6.192 1.00 0.00 O ATOM 767 CG2 THR A 968 -1.937 -7.999 4.378 1.00 0.00 C ATOM 0 H THR A 968 -0.798 -6.254 7.655 1.00 0.00 H new ATOM 0 HA THR A 968 -1.755 -8.837 7.237 1.00 0.00 H new ATOM 0 HB THR A 968 -1.349 -6.365 5.583 1.00 0.00 H new ATOM 0 HG1 THR A 968 -3.838 -7.502 5.580 1.00 0.00 H new ATOM 0 HG21 THR A 968 -2.506 -7.385 3.681 1.00 0.00 H new ATOM 0 HG22 THR A 968 -0.927 -8.142 3.995 1.00 0.00 H new ATOM 0 HG23 THR A 968 -2.424 -8.968 4.488 1.00 0.00 H new ATOM 775 N VAL A 969 1.164 -8.248 5.831 1.00 0.00 N ATOM 776 CA VAL A 969 2.365 -8.904 5.321 1.00 0.00 C ATOM 777 C VAL A 969 2.794 -10.070 6.213 1.00 0.00 C ATOM 778 O VAL A 969 3.315 -11.060 5.718 1.00 0.00 O ATOM 779 CB VAL A 969 3.540 -7.907 5.173 1.00 0.00 C ATOM 780 CG1 VAL A 969 4.822 -8.626 4.772 1.00 0.00 C ATOM 781 CG2 VAL A 969 3.202 -6.833 4.154 1.00 0.00 C ATOM 0 H VAL A 969 1.263 -7.242 5.967 1.00 0.00 H new ATOM 0 HA VAL A 969 2.109 -9.294 4.336 1.00 0.00 H new ATOM 0 HB VAL A 969 3.702 -7.435 6.142 1.00 0.00 H new ATOM 0 HG11 VAL A 969 5.631 -7.901 4.675 1.00 0.00 H new ATOM 0 HG12 VAL A 969 5.082 -9.360 5.535 1.00 0.00 H new ATOM 0 HG13 VAL A 969 4.672 -9.132 3.818 1.00 0.00 H new ATOM 0 HG21 VAL A 969 4.039 -6.141 4.063 1.00 0.00 H new ATOM 0 HG22 VAL A 969 3.008 -7.297 3.187 1.00 0.00 H new ATOM 0 HG23 VAL A 969 2.315 -6.289 4.479 1.00 0.00 H new ATOM 791 N ASP A 970 2.548 -9.969 7.514 1.00 0.00 N ATOM 792 CA ASP A 970 2.903 -11.046 8.444 1.00 0.00 C ATOM 793 C ASP A 970 2.045 -12.277 8.205 1.00 0.00 C ATOM 794 O ASP A 970 2.501 -13.392 8.394 1.00 0.00 O ATOM 795 CB ASP A 970 2.776 -10.581 9.899 1.00 0.00 C ATOM 796 CG ASP A 970 3.045 -11.692 10.898 1.00 0.00 C ATOM 797 OD1 ASP A 970 4.229 -12.006 11.142 1.00 0.00 O ATOM 798 OD2 ASP A 970 2.072 -12.246 11.457 1.00 0.00 O ATOM 0 H ASP A 970 2.107 -9.160 7.951 1.00 0.00 H new ATOM 0 HA ASP A 970 3.944 -11.312 8.259 1.00 0.00 H new ATOM 0 HB2 ASP A 970 3.474 -9.763 10.076 1.00 0.00 H new ATOM 0 HB3 ASP A 970 1.773 -10.186 10.063 1.00 0.00 H new ATOM 803 N GLU A 971 0.810 -12.068 7.788 1.00 0.00 N ATOM 804 CA GLU A 971 -0.035 -13.179 7.345 1.00 0.00 C ATOM 805 C GLU A 971 0.653 -13.875 6.159 1.00 0.00 C ATOM 806 O GLU A 971 0.914 -15.091 6.151 1.00 0.00 O ATOM 807 CB GLU A 971 -1.411 -12.663 6.912 1.00 0.00 C ATOM 808 CG GLU A 971 -2.069 -11.731 7.918 1.00 0.00 C ATOM 809 CD GLU A 971 -2.592 -12.450 9.144 1.00 0.00 C ATOM 810 OE1 GLU A 971 -3.594 -13.189 9.022 1.00 0.00 O ATOM 811 OE2 GLU A 971 -2.025 -12.261 10.239 1.00 0.00 O ATOM 0 H GLU A 971 0.366 -11.151 7.744 1.00 0.00 H new ATOM 0 HA GLU A 971 -0.173 -13.882 8.167 1.00 0.00 H new ATOM 0 HB2 GLU A 971 -1.308 -12.140 5.961 1.00 0.00 H new ATOM 0 HB3 GLU A 971 -2.068 -13.515 6.738 1.00 0.00 H new ATOM 0 HG2 GLU A 971 -1.348 -10.975 8.228 1.00 0.00 H new ATOM 0 HG3 GLU A 971 -2.893 -11.207 7.433 1.00 0.00 H new ATOM 818 N SER A 972 0.990 -13.059 5.176 1.00 0.00 N ATOM 819 CA SER A 972 1.673 -13.513 3.986 1.00 0.00 C ATOM 820 C SER A 972 3.088 -14.031 4.291 1.00 0.00 C ATOM 821 O SER A 972 3.656 -14.762 3.493 1.00 0.00 O ATOM 822 CB SER A 972 1.672 -12.406 2.926 1.00 0.00 C ATOM 823 OG SER A 972 2.503 -12.733 1.831 1.00 0.00 O ATOM 0 H SER A 972 0.795 -12.058 5.185 1.00 0.00 H new ATOM 0 HA SER A 972 1.127 -14.366 3.583 1.00 0.00 H new ATOM 0 HB2 SER A 972 0.654 -12.240 2.574 1.00 0.00 H new ATOM 0 HB3 SER A 972 2.011 -11.472 3.374 1.00 0.00 H new ATOM 0 HG SER A 972 3.429 -12.489 2.039 1.00 0.00 H new ATOM 829 N LEU A 973 3.679 -13.613 5.403 1.00 0.00 N ATOM 830 CA LEU A 973 5.044 -14.022 5.742 1.00 0.00 C ATOM 831 C LEU A 973 5.170 -15.553 5.874 1.00 0.00 C ATOM 832 O LEU A 973 6.001 -16.129 5.195 1.00 0.00 O ATOM 833 CB LEU A 973 5.530 -13.295 7.011 1.00 0.00 C ATOM 834 CG LEU A 973 7.045 -13.309 7.260 1.00 0.00 C ATOM 835 CD1 LEU A 973 7.425 -12.201 8.224 1.00 0.00 C ATOM 836 CD2 LEU A 973 7.500 -14.654 7.814 1.00 0.00 C ATOM 0 H LEU A 973 3.241 -12.994 6.085 1.00 0.00 H new ATOM 0 HA LEU A 973 5.694 -13.728 4.918 1.00 0.00 H new ATOM 0 HB2 LEU A 973 5.201 -12.257 6.959 1.00 0.00 H new ATOM 0 HB3 LEU A 973 5.037 -13.743 7.873 1.00 0.00 H new ATOM 0 HG LEU A 973 7.545 -13.146 6.305 1.00 0.00 H new ATOM 0 HD11 LEU A 973 8.502 -12.220 8.394 1.00 0.00 H new ATOM 0 HD12 LEU A 973 7.141 -11.237 7.801 1.00 0.00 H new ATOM 0 HD13 LEU A 973 6.906 -12.349 9.171 1.00 0.00 H new ATOM 0 HD21 LEU A 973 8.577 -14.634 7.980 1.00 0.00 H new ATOM 0 HD22 LEU A 973 6.991 -14.850 8.758 1.00 0.00 H new ATOM 0 HD23 LEU A 973 7.258 -15.442 7.101 1.00 0.00 H new ATOM 848 N PRO A 974 4.373 -16.262 6.713 1.00 0.00 N ATOM 849 CA PRO A 974 4.351 -17.732 6.675 1.00 0.00 C ATOM 850 C PRO A 974 3.944 -18.240 5.297 1.00 0.00 C ATOM 851 O PRO A 974 4.278 -19.364 4.895 1.00 0.00 O ATOM 852 CB PRO A 974 3.317 -18.134 7.732 1.00 0.00 C ATOM 853 CG PRO A 974 2.579 -16.884 8.054 1.00 0.00 C ATOM 854 CD PRO A 974 3.531 -15.756 7.788 1.00 0.00 C ATOM 0 HA PRO A 974 5.333 -18.160 6.875 1.00 0.00 H new ATOM 0 HB2 PRO A 974 2.643 -18.902 7.351 1.00 0.00 H new ATOM 0 HB3 PRO A 974 3.800 -18.545 8.618 1.00 0.00 H new ATOM 0 HG2 PRO A 974 1.684 -16.791 7.439 1.00 0.00 H new ATOM 0 HG3 PRO A 974 2.253 -16.881 9.094 1.00 0.00 H new ATOM 0 HD2 PRO A 974 3.004 -14.849 7.491 1.00 0.00 H new ATOM 0 HD3 PRO A 974 4.117 -15.509 8.673 1.00 0.00 H new ATOM 862 N VAL A 975 3.256 -17.386 4.549 1.00 0.00 N ATOM 863 CA VAL A 975 2.931 -17.714 3.165 1.00 0.00 C ATOM 864 C VAL A 975 4.173 -17.591 2.261 1.00 0.00 C ATOM 865 O VAL A 975 4.193 -18.117 1.145 1.00 0.00 O ATOM 866 CB VAL A 975 1.795 -16.815 2.630 1.00 0.00 C ATOM 867 CG1 VAL A 975 1.442 -17.177 1.198 1.00 0.00 C ATOM 868 CG2 VAL A 975 0.568 -16.916 3.522 1.00 0.00 C ATOM 0 H VAL A 975 2.918 -16.478 4.868 1.00 0.00 H new ATOM 0 HA VAL A 975 2.589 -18.749 3.147 1.00 0.00 H new ATOM 0 HB VAL A 975 2.148 -15.784 2.641 1.00 0.00 H new ATOM 0 HG11 VAL A 975 0.639 -16.529 0.846 1.00 0.00 H new ATOM 0 HG12 VAL A 975 2.318 -17.047 0.563 1.00 0.00 H new ATOM 0 HG13 VAL A 975 1.114 -18.216 1.155 1.00 0.00 H new ATOM 0 HG21 VAL A 975 -0.221 -16.276 3.129 1.00 0.00 H new ATOM 0 HG22 VAL A 975 0.220 -17.949 3.546 1.00 0.00 H new ATOM 0 HG23 VAL A 975 0.825 -16.596 4.532 1.00 0.00 H new ATOM 878 N LEU A 976 5.220 -16.913 2.735 1.00 0.00 N ATOM 879 CA LEU A 976 6.434 -16.741 1.932 1.00 0.00 C ATOM 880 C LEU A 976 7.279 -18.020 1.868 1.00 0.00 C ATOM 881 O LEU A 976 7.784 -18.335 0.791 1.00 0.00 O ATOM 882 CB LEU A 976 7.263 -15.493 2.353 1.00 0.00 C ATOM 883 CG LEU A 976 8.207 -15.605 3.562 1.00 0.00 C ATOM 884 CD1 LEU A 976 9.530 -16.257 3.184 1.00 0.00 C ATOM 885 CD2 LEU A 976 8.454 -14.227 4.153 1.00 0.00 C ATOM 0 H LEU A 976 5.254 -16.479 3.658 1.00 0.00 H new ATOM 0 HA LEU A 976 6.099 -16.545 0.913 1.00 0.00 H new ATOM 0 HB2 LEU A 976 7.861 -15.189 1.494 1.00 0.00 H new ATOM 0 HB3 LEU A 976 6.562 -14.684 2.556 1.00 0.00 H new ATOM 0 HG LEU A 976 7.726 -16.240 4.306 1.00 0.00 H new ATOM 0 HD11 LEU A 976 10.170 -16.318 4.064 1.00 0.00 H new ATOM 0 HD12 LEU A 976 9.345 -17.260 2.799 1.00 0.00 H new ATOM 0 HD13 LEU A 976 10.024 -15.660 2.417 1.00 0.00 H new ATOM 0 HD21 LEU A 976 9.123 -14.313 5.009 1.00 0.00 H new ATOM 0 HD22 LEU A 976 8.909 -13.584 3.400 1.00 0.00 H new ATOM 0 HD23 LEU A 976 7.507 -13.794 4.475 1.00 0.00 H new ATOM 897 N PRO A 977 7.464 -18.793 2.973 1.00 0.00 N ATOM 898 CA PRO A 977 8.106 -20.105 2.876 1.00 0.00 C ATOM 899 C PRO A 977 7.241 -21.058 2.070 1.00 0.00 C ATOM 900 O PRO A 977 7.736 -22.004 1.456 1.00 0.00 O ATOM 901 CB PRO A 977 8.233 -20.585 4.326 1.00 0.00 C ATOM 902 CG PRO A 977 8.044 -19.363 5.151 1.00 0.00 C ATOM 903 CD PRO A 977 7.123 -18.481 4.365 1.00 0.00 C ATOM 0 HA PRO A 977 9.072 -20.059 2.373 1.00 0.00 H new ATOM 0 HB2 PRO A 977 7.482 -21.340 4.560 1.00 0.00 H new ATOM 0 HB3 PRO A 977 9.207 -21.038 4.508 1.00 0.00 H new ATOM 0 HG2 PRO A 977 7.616 -19.609 6.123 1.00 0.00 H new ATOM 0 HG3 PRO A 977 8.996 -18.866 5.339 1.00 0.00 H new ATOM 0 HD2 PRO A 977 6.077 -18.698 4.581 1.00 0.00 H new ATOM 0 HD3 PRO A 977 7.284 -17.427 4.592 1.00 0.00 H new ATOM 911 N ALA A 978 5.934 -20.803 2.088 1.00 0.00 N ATOM 912 CA ALA A 978 5.016 -21.535 1.236 1.00 0.00 C ATOM 913 C ALA A 978 5.294 -21.241 -0.241 1.00 0.00 C ATOM 914 O ALA A 978 5.627 -22.150 -0.999 1.00 0.00 O ATOM 915 CB ALA A 978 3.573 -21.208 1.593 1.00 0.00 C ATOM 0 H ALA A 978 5.495 -20.099 2.681 1.00 0.00 H new ATOM 0 HA ALA A 978 5.172 -22.601 1.403 1.00 0.00 H new ATOM 0 HB1 ALA A 978 2.901 -21.768 0.942 1.00 0.00 H new ATOM 0 HB2 ALA A 978 3.384 -21.482 2.631 1.00 0.00 H new ATOM 0 HB3 ALA A 978 3.399 -20.140 1.462 1.00 0.00 H new ATOM 921 N SER A 979 5.178 -19.969 -0.644 1.00 0.00 N ATOM 922 CA SER A 979 5.353 -19.593 -2.055 1.00 0.00 C ATOM 923 C SER A 979 5.508 -18.074 -2.273 1.00 0.00 C ATOM 924 O SER A 979 6.235 -17.645 -3.167 1.00 0.00 O ATOM 925 CB SER A 979 4.157 -20.088 -2.878 1.00 0.00 C ATOM 926 OG SER A 979 4.178 -21.495 -3.042 1.00 0.00 O ATOM 0 H SER A 979 4.966 -19.189 -0.021 1.00 0.00 H new ATOM 0 HA SER A 979 6.280 -20.065 -2.382 1.00 0.00 H new ATOM 0 HB2 SER A 979 3.230 -19.793 -2.386 1.00 0.00 H new ATOM 0 HB3 SER A 979 4.165 -19.608 -3.856 1.00 0.00 H new ATOM 0 HG SER A 979 4.916 -21.874 -2.520 1.00 0.00 H new ATOM 932 N THR A 980 4.827 -17.266 -1.463 1.00 0.00 N ATOM 933 CA THR A 980 4.671 -15.829 -1.742 1.00 0.00 C ATOM 934 C THR A 980 5.986 -15.041 -1.744 1.00 0.00 C ATOM 935 O THR A 980 6.014 -13.908 -2.219 1.00 0.00 O ATOM 936 CB THR A 980 3.670 -15.141 -0.796 1.00 0.00 C ATOM 937 OG1 THR A 980 3.143 -13.973 -1.431 1.00 0.00 O ATOM 938 CG2 THR A 980 4.329 -14.733 0.504 1.00 0.00 C ATOM 0 H THR A 980 4.371 -17.577 -0.605 1.00 0.00 H new ATOM 0 HA THR A 980 4.274 -15.810 -2.757 1.00 0.00 H new ATOM 0 HB THR A 980 2.873 -15.851 -0.574 1.00 0.00 H new ATOM 0 HG1 THR A 980 3.862 -13.506 -1.905 1.00 0.00 H new ATOM 0 HG21 THR A 980 3.594 -14.250 1.149 1.00 0.00 H new ATOM 0 HG22 THR A 980 4.725 -15.617 1.004 1.00 0.00 H new ATOM 0 HG23 THR A 980 5.143 -14.038 0.297 1.00 0.00 H new ATOM 946 N HIS A 981 7.056 -15.620 -1.196 1.00 0.00 N ATOM 947 CA HIS A 981 8.338 -14.917 -1.038 1.00 0.00 C ATOM 948 C HIS A 981 8.806 -14.222 -2.329 1.00 0.00 C ATOM 949 O HIS A 981 9.603 -13.295 -2.264 1.00 0.00 O ATOM 950 CB HIS A 981 9.420 -15.899 -0.561 1.00 0.00 C ATOM 951 CG HIS A 981 10.745 -15.258 -0.248 1.00 0.00 C ATOM 952 ND1 HIS A 981 10.964 -14.491 0.880 1.00 0.00 N ATOM 953 CD2 HIS A 981 11.924 -15.275 -0.919 1.00 0.00 C ATOM 954 CE1 HIS A 981 12.215 -14.070 0.888 1.00 0.00 C ATOM 955 NE2 HIS A 981 12.816 -14.531 -0.188 1.00 0.00 N ATOM 0 H HIS A 981 7.063 -16.580 -0.851 1.00 0.00 H new ATOM 0 HA HIS A 981 8.178 -14.138 -0.293 1.00 0.00 H new ATOM 0 HB2 HIS A 981 9.059 -16.414 0.330 1.00 0.00 H new ATOM 0 HB3 HIS A 981 9.569 -16.658 -1.329 1.00 0.00 H new ATOM 0 HD2 HIS A 981 12.123 -15.779 -1.853 1.00 0.00 H new ATOM 0 HE1 HIS A 981 12.668 -13.452 1.649 1.00 0.00 H new ATOM 0 HE2 HIS A 981 13.790 -14.362 -0.439 1.00 0.00 H new ATOM 964 N ARG A 982 8.315 -14.637 -3.489 1.00 0.00 N ATOM 965 CA ARG A 982 8.684 -13.953 -4.725 1.00 0.00 C ATOM 966 C ARG A 982 8.025 -12.566 -4.797 1.00 0.00 C ATOM 967 O ARG A 982 8.708 -11.545 -4.951 1.00 0.00 O ATOM 968 CB ARG A 982 8.274 -14.791 -5.941 1.00 0.00 C ATOM 969 CG ARG A 982 8.654 -14.159 -7.273 1.00 0.00 C ATOM 970 CD ARG A 982 8.311 -15.064 -8.444 1.00 0.00 C ATOM 971 NE ARG A 982 9.023 -16.341 -8.374 1.00 0.00 N ATOM 972 CZ ARG A 982 9.158 -17.183 -9.398 1.00 0.00 C ATOM 973 NH1 ARG A 982 8.649 -16.888 -10.589 1.00 0.00 N ATOM 974 NH2 ARG A 982 9.803 -18.330 -9.230 1.00 0.00 N ATOM 0 H ARG A 982 7.676 -15.424 -3.602 1.00 0.00 H new ATOM 0 HA ARG A 982 9.766 -13.824 -4.732 1.00 0.00 H new ATOM 0 HB2 ARG A 982 8.740 -15.774 -5.868 1.00 0.00 H new ATOM 0 HB3 ARG A 982 7.196 -14.947 -5.917 1.00 0.00 H new ATOM 0 HG2 ARG A 982 8.135 -13.207 -7.385 1.00 0.00 H new ATOM 0 HG3 ARG A 982 9.722 -13.943 -7.281 1.00 0.00 H new ATOM 0 HD2 ARG A 982 7.237 -15.248 -8.458 1.00 0.00 H new ATOM 0 HD3 ARG A 982 8.561 -14.560 -9.378 1.00 0.00 H new ATOM 0 HE ARG A 982 9.444 -16.604 -7.483 1.00 0.00 H new ATOM 0 HH11 ARG A 982 8.149 -16.010 -10.727 1.00 0.00 H new ATOM 0 HH12 ARG A 982 8.758 -17.540 -11.366 1.00 0.00 H new ATOM 0 HH21 ARG A 982 10.195 -18.566 -8.318 1.00 0.00 H new ATOM 0 HH22 ARG A 982 9.907 -18.976 -10.013 1.00 0.00 H new ATOM 988 N GLU A 983 6.706 -12.520 -4.638 1.00 0.00 N ATOM 989 CA GLU A 983 5.987 -11.251 -4.691 1.00 0.00 C ATOM 990 C GLU A 983 6.143 -10.442 -3.425 1.00 0.00 C ATOM 991 O GLU A 983 6.300 -9.224 -3.482 1.00 0.00 O ATOM 992 CB GLU A 983 4.499 -11.434 -4.937 1.00 0.00 C ATOM 993 CG GLU A 983 4.059 -10.943 -6.291 1.00 0.00 C ATOM 994 CD GLU A 983 4.264 -11.969 -7.387 1.00 0.00 C ATOM 995 OE1 GLU A 983 4.070 -13.178 -7.124 1.00 0.00 O ATOM 996 OE2 GLU A 983 4.616 -11.577 -8.517 1.00 0.00 O ATOM 0 H GLU A 983 6.118 -13.337 -4.473 1.00 0.00 H new ATOM 0 HA GLU A 983 6.437 -10.717 -5.528 1.00 0.00 H new ATOM 0 HB2 GLU A 983 4.248 -12.490 -4.841 1.00 0.00 H new ATOM 0 HB3 GLU A 983 3.941 -10.903 -4.166 1.00 0.00 H new ATOM 0 HG2 GLU A 983 3.004 -10.671 -6.248 1.00 0.00 H new ATOM 0 HG3 GLU A 983 4.612 -10.037 -6.540 1.00 0.00 H new ATOM 1003 N ILE A 984 6.057 -11.096 -2.282 1.00 0.00 N ATOM 1004 CA ILE A 984 6.053 -10.374 -1.023 1.00 0.00 C ATOM 1005 C ILE A 984 7.335 -9.562 -0.887 1.00 0.00 C ATOM 1006 O ILE A 984 7.346 -8.501 -0.280 1.00 0.00 O ATOM 1007 CB ILE A 984 5.849 -11.318 0.188 1.00 0.00 C ATOM 1008 CG1 ILE A 984 5.523 -10.514 1.448 1.00 0.00 C ATOM 1009 CG2 ILE A 984 7.075 -12.184 0.419 1.00 0.00 C ATOM 1010 CD1 ILE A 984 4.230 -9.736 1.352 1.00 0.00 C ATOM 0 H ILE A 984 5.990 -12.110 -2.198 1.00 0.00 H new ATOM 0 HA ILE A 984 5.204 -9.690 -1.027 1.00 0.00 H new ATOM 0 HB ILE A 984 5.007 -11.973 -0.037 1.00 0.00 H new ATOM 0 HG12 ILE A 984 5.466 -11.194 2.298 1.00 0.00 H new ATOM 0 HG13 ILE A 984 6.340 -9.821 1.648 1.00 0.00 H new ATOM 0 HG21 ILE A 984 6.903 -12.837 1.275 1.00 0.00 H new ATOM 0 HG22 ILE A 984 7.265 -12.790 -0.467 1.00 0.00 H new ATOM 0 HG23 ILE A 984 7.938 -11.548 0.615 1.00 0.00 H new ATOM 0 HD11 ILE A 984 4.064 -9.190 2.281 1.00 0.00 H new ATOM 0 HD12 ILE A 984 4.290 -9.031 0.523 1.00 0.00 H new ATOM 0 HD13 ILE A 984 3.402 -10.425 1.183 1.00 0.00 H new ATOM 1022 N GLU A 985 8.400 -10.043 -1.511 1.00 0.00 N ATOM 1023 CA GLU A 985 9.647 -9.302 -1.565 1.00 0.00 C ATOM 1024 C GLU A 985 9.555 -8.119 -2.527 1.00 0.00 C ATOM 1025 O GLU A 985 10.054 -7.034 -2.220 1.00 0.00 O ATOM 1026 CB GLU A 985 10.802 -10.214 -1.975 1.00 0.00 C ATOM 1027 CG GLU A 985 11.195 -11.211 -0.899 1.00 0.00 C ATOM 1028 CD GLU A 985 11.710 -10.542 0.354 1.00 0.00 C ATOM 1029 OE1 GLU A 985 12.874 -10.094 0.352 1.00 0.00 O ATOM 1030 OE2 GLU A 985 10.958 -10.459 1.347 1.00 0.00 O ATOM 0 H GLU A 985 8.423 -10.945 -1.987 1.00 0.00 H new ATOM 0 HA GLU A 985 9.837 -8.915 -0.564 1.00 0.00 H new ATOM 0 HB2 GLU A 985 10.524 -10.757 -2.878 1.00 0.00 H new ATOM 0 HB3 GLU A 985 11.668 -9.601 -2.226 1.00 0.00 H new ATOM 0 HG2 GLU A 985 10.332 -11.828 -0.648 1.00 0.00 H new ATOM 0 HG3 GLU A 985 11.962 -11.879 -1.291 1.00 0.00 H new ATOM 1037 N MET A 986 8.912 -8.314 -3.687 1.00 0.00 N ATOM 1038 CA MET A 986 8.920 -7.276 -4.719 1.00 0.00 C ATOM 1039 C MET A 986 8.193 -6.005 -4.263 1.00 0.00 C ATOM 1040 O MET A 986 8.792 -4.928 -4.207 1.00 0.00 O ATOM 1041 CB MET A 986 8.377 -7.783 -6.068 1.00 0.00 C ATOM 1042 CG MET A 986 6.910 -8.163 -6.084 1.00 0.00 C ATOM 1043 SD MET A 986 6.351 -8.679 -7.717 1.00 0.00 S ATOM 1044 CE MET A 986 7.468 -10.042 -8.049 1.00 0.00 C ATOM 0 H MET A 986 8.393 -9.159 -3.928 1.00 0.00 H new ATOM 0 HA MET A 986 9.966 -7.013 -4.878 1.00 0.00 H new ATOM 0 HB2 MET A 986 8.542 -7.010 -6.819 1.00 0.00 H new ATOM 0 HB3 MET A 986 8.962 -8.651 -6.371 1.00 0.00 H new ATOM 0 HG2 MET A 986 6.739 -8.971 -5.373 1.00 0.00 H new ATOM 0 HG3 MET A 986 6.314 -7.313 -5.751 1.00 0.00 H new ATOM 0 HE1 MET A 986 6.918 -10.857 -8.520 1.00 0.00 H new ATOM 0 HE2 MET A 986 8.262 -9.707 -8.716 1.00 0.00 H new ATOM 0 HE3 MET A 986 7.904 -10.392 -7.113 1.00 0.00 H new ATOM 1054 N ALA A 987 6.926 -6.130 -3.889 1.00 0.00 N ATOM 1055 CA ALA A 987 6.121 -4.979 -3.545 1.00 0.00 C ATOM 1056 C ALA A 987 6.411 -4.482 -2.141 1.00 0.00 C ATOM 1057 O ALA A 987 6.506 -3.297 -1.937 1.00 0.00 O ATOM 1058 CB ALA A 987 4.648 -5.286 -3.703 1.00 0.00 C ATOM 0 H ALA A 987 6.438 -7.023 -3.818 1.00 0.00 H new ATOM 0 HA ALA A 987 6.389 -4.181 -4.238 1.00 0.00 H new ATOM 0 HB1 ALA A 987 4.062 -4.405 -3.439 1.00 0.00 H new ATOM 0 HB2 ALA A 987 4.443 -5.561 -4.737 1.00 0.00 H new ATOM 0 HB3 ALA A 987 4.376 -6.113 -3.047 1.00 0.00 H new ATOM 1064 N GLN A 988 6.565 -5.380 -1.167 1.00 0.00 N ATOM 1065 CA GLN A 988 6.741 -4.934 0.219 1.00 0.00 C ATOM 1066 C GLN A 988 7.948 -4.003 0.352 1.00 0.00 C ATOM 1067 O GLN A 988 7.887 -2.980 1.039 1.00 0.00 O ATOM 1068 CB GLN A 988 6.909 -6.109 1.182 1.00 0.00 C ATOM 1069 CG GLN A 988 7.287 -5.681 2.595 1.00 0.00 C ATOM 1070 CD GLN A 988 7.735 -6.837 3.469 1.00 0.00 C ATOM 1071 OE1 GLN A 988 8.268 -7.834 2.982 1.00 0.00 O ATOM 1072 NE2 GLN A 988 7.546 -6.699 4.774 1.00 0.00 N ATOM 0 H GLN A 988 6.572 -6.391 -1.302 1.00 0.00 H new ATOM 0 HA GLN A 988 5.833 -4.393 0.485 1.00 0.00 H new ATOM 0 HB2 GLN A 988 5.979 -6.676 1.218 1.00 0.00 H new ATOM 0 HB3 GLN A 988 7.676 -6.780 0.795 1.00 0.00 H new ATOM 0 HG2 GLN A 988 8.087 -4.942 2.542 1.00 0.00 H new ATOM 0 HG3 GLN A 988 6.432 -5.192 3.061 1.00 0.00 H new ATOM 0 HE21 GLN A 988 7.100 -5.857 5.139 1.00 0.00 H new ATOM 0 HE22 GLN A 988 7.846 -7.435 5.413 1.00 0.00 H new ATOM 1081 N LYS A 989 9.045 -4.363 -0.307 1.00 0.00 N ATOM 1082 CA LYS A 989 10.250 -3.542 -0.276 1.00 0.00 C ATOM 1083 C LYS A 989 10.000 -2.242 -1.032 1.00 0.00 C ATOM 1084 O LYS A 989 10.542 -1.190 -0.694 1.00 0.00 O ATOM 1085 CB LYS A 989 11.431 -4.299 -0.893 1.00 0.00 C ATOM 1086 CG LYS A 989 12.767 -3.583 -0.752 1.00 0.00 C ATOM 1087 CD LYS A 989 13.889 -4.376 -1.405 1.00 0.00 C ATOM 1088 CE LYS A 989 15.245 -3.729 -1.170 1.00 0.00 C ATOM 1089 NZ LYS A 989 15.593 -3.687 0.275 1.00 0.00 N ATOM 0 H LYS A 989 9.124 -5.213 -0.866 1.00 0.00 H new ATOM 0 HA LYS A 989 10.497 -3.312 0.760 1.00 0.00 H new ATOM 0 HB2 LYS A 989 11.505 -5.280 -0.424 1.00 0.00 H new ATOM 0 HB3 LYS A 989 11.230 -4.466 -1.951 1.00 0.00 H new ATOM 0 HG2 LYS A 989 12.703 -2.595 -1.209 1.00 0.00 H new ATOM 0 HG3 LYS A 989 12.992 -3.432 0.304 1.00 0.00 H new ATOM 0 HD2 LYS A 989 13.896 -5.391 -1.008 1.00 0.00 H new ATOM 0 HD3 LYS A 989 13.704 -4.454 -2.476 1.00 0.00 H new ATOM 0 HE2 LYS A 989 16.011 -4.283 -1.713 1.00 0.00 H new ATOM 0 HE3 LYS A 989 15.239 -2.716 -1.572 1.00 0.00 H new ATOM 0 HZ1 LYS A 989 16.613 -3.515 0.382 1.00 0.00 H new ATOM 0 HZ2 LYS A 989 15.062 -2.922 0.738 1.00 0.00 H new ATOM 0 HZ3 LYS A 989 15.347 -4.595 0.718 1.00 0.00 H new ATOM 1103 N LEU A 990 9.143 -2.332 -2.036 1.00 0.00 N ATOM 1104 CA LEU A 990 8.768 -1.193 -2.851 1.00 0.00 C ATOM 1105 C LEU A 990 7.795 -0.291 -2.066 1.00 0.00 C ATOM 1106 O LEU A 990 7.832 0.936 -2.181 1.00 0.00 O ATOM 1107 CB LEU A 990 8.192 -1.751 -4.170 1.00 0.00 C ATOM 1108 CG LEU A 990 7.353 -0.829 -5.055 1.00 0.00 C ATOM 1109 CD1 LEU A 990 7.984 0.546 -5.202 1.00 0.00 C ATOM 1110 CD2 LEU A 990 7.182 -1.455 -6.430 1.00 0.00 C ATOM 0 H LEU A 990 8.687 -3.203 -2.308 1.00 0.00 H new ATOM 0 HA LEU A 990 9.616 -0.554 -3.098 1.00 0.00 H new ATOM 0 HB2 LEU A 990 9.028 -2.112 -4.769 1.00 0.00 H new ATOM 0 HB3 LEU A 990 7.579 -2.618 -3.922 1.00 0.00 H new ATOM 0 HG LEU A 990 6.383 -0.703 -4.574 1.00 0.00 H new ATOM 0 HD11 LEU A 990 7.355 1.169 -5.838 1.00 0.00 H new ATOM 0 HD12 LEU A 990 8.079 1.010 -4.220 1.00 0.00 H new ATOM 0 HD13 LEU A 990 8.971 0.447 -5.653 1.00 0.00 H new ATOM 0 HD21 LEU A 990 6.584 -0.795 -7.058 1.00 0.00 H new ATOM 0 HD22 LEU A 990 8.161 -1.602 -6.887 1.00 0.00 H new ATOM 0 HD23 LEU A 990 6.679 -2.417 -6.332 1.00 0.00 H new ATOM 1122 N LEU A 991 6.991 -0.911 -1.210 1.00 0.00 N ATOM 1123 CA LEU A 991 6.045 -0.199 -0.359 1.00 0.00 C ATOM 1124 C LEU A 991 6.784 0.681 0.621 1.00 0.00 C ATOM 1125 O LEU A 991 6.486 1.863 0.756 1.00 0.00 O ATOM 1126 CB LEU A 991 5.186 -1.192 0.425 1.00 0.00 C ATOM 1127 CG LEU A 991 4.242 -2.046 -0.410 1.00 0.00 C ATOM 1128 CD1 LEU A 991 3.782 -3.252 0.382 1.00 0.00 C ATOM 1129 CD2 LEU A 991 3.037 -1.232 -0.859 1.00 0.00 C ATOM 0 H LEU A 991 6.977 -1.923 -1.086 1.00 0.00 H new ATOM 0 HA LEU A 991 5.408 0.414 -0.997 1.00 0.00 H new ATOM 0 HB2 LEU A 991 5.847 -1.854 0.985 1.00 0.00 H new ATOM 0 HB3 LEU A 991 4.596 -0.638 1.155 1.00 0.00 H new ATOM 0 HG LEU A 991 4.783 -2.387 -1.293 1.00 0.00 H new ATOM 0 HD11 LEU A 991 3.108 -3.853 -0.229 1.00 0.00 H new ATOM 0 HD12 LEU A 991 4.646 -3.852 0.666 1.00 0.00 H new ATOM 0 HD13 LEU A 991 3.260 -2.920 1.280 1.00 0.00 H new ATOM 0 HD21 LEU A 991 2.375 -1.861 -1.454 1.00 0.00 H new ATOM 0 HD22 LEU A 991 2.500 -0.865 0.015 1.00 0.00 H new ATOM 0 HD23 LEU A 991 3.372 -0.387 -1.460 1.00 0.00 H new ATOM 1141 N ASN A 992 7.759 0.089 1.296 1.00 0.00 N ATOM 1142 CA ASN A 992 8.528 0.793 2.311 1.00 0.00 C ATOM 1143 C ASN A 992 9.202 2.018 1.715 1.00 0.00 C ATOM 1144 O ASN A 992 9.235 3.079 2.329 1.00 0.00 O ATOM 1145 CB ASN A 992 9.585 -0.141 2.909 1.00 0.00 C ATOM 1146 CG ASN A 992 10.386 0.511 4.021 1.00 0.00 C ATOM 1147 OD1 ASN A 992 11.399 1.166 3.772 1.00 0.00 O ATOM 1148 ND2 ASN A 992 9.947 0.324 5.255 1.00 0.00 N ATOM 0 H ASN A 992 8.037 -0.883 1.158 1.00 0.00 H new ATOM 0 HA ASN A 992 7.847 1.117 3.098 1.00 0.00 H new ATOM 0 HB2 ASN A 992 9.096 -1.035 3.296 1.00 0.00 H new ATOM 0 HB3 ASN A 992 10.264 -0.465 2.121 1.00 0.00 H new ATOM 0 HD21 ASN A 992 10.452 0.729 6.043 1.00 0.00 H new ATOM 0 HD22 ASN A 992 9.103 -0.225 5.418 1.00 0.00 H new ATOM 1155 N SER A 993 9.717 1.864 0.505 1.00 0.00 N ATOM 1156 CA SER A 993 10.457 2.927 -0.152 1.00 0.00 C ATOM 1157 C SER A 993 9.540 4.013 -0.721 1.00 0.00 C ATOM 1158 O SER A 993 9.889 5.195 -0.696 1.00 0.00 O ATOM 1159 CB SER A 993 11.323 2.340 -1.262 1.00 0.00 C ATOM 1160 OG SER A 993 12.157 1.308 -0.759 1.00 0.00 O ATOM 0 H SER A 993 9.635 1.008 -0.043 1.00 0.00 H new ATOM 0 HA SER A 993 11.086 3.401 0.601 1.00 0.00 H new ATOM 0 HB2 SER A 993 10.688 1.946 -2.055 1.00 0.00 H new ATOM 0 HB3 SER A 993 11.936 3.125 -1.705 1.00 0.00 H new ATOM 0 HG SER A 993 11.648 0.472 -0.708 1.00 0.00 H new ATOM 1166 N ASP A 994 8.366 3.629 -1.217 1.00 0.00 N ATOM 1167 CA ASP A 994 7.510 4.587 -1.915 1.00 0.00 C ATOM 1168 C ASP A 994 6.415 5.162 -1.021 1.00 0.00 C ATOM 1169 O ASP A 994 6.017 6.312 -1.206 1.00 0.00 O ATOM 1170 CB ASP A 994 6.947 3.991 -3.200 1.00 0.00 C ATOM 1171 CG ASP A 994 7.912 4.184 -4.358 1.00 0.00 C ATOM 1172 OD1 ASP A 994 8.926 3.455 -4.434 1.00 0.00 O ATOM 1173 OD2 ASP A 994 7.687 5.092 -5.181 1.00 0.00 O ATOM 0 H ASP A 994 7.991 2.683 -1.152 1.00 0.00 H new ATOM 0 HA ASP A 994 8.142 5.431 -2.192 1.00 0.00 H new ATOM 0 HB2 ASP A 994 6.752 2.928 -3.057 1.00 0.00 H new ATOM 0 HB3 ASP A 994 5.992 4.461 -3.435 1.00 0.00 H new ATOM 1178 N LEU A 995 5.920 4.389 -0.050 1.00 0.00 N ATOM 1179 CA LEU A 995 5.170 4.994 1.057 1.00 0.00 C ATOM 1180 C LEU A 995 6.069 6.039 1.706 1.00 0.00 C ATOM 1181 O LEU A 995 5.622 7.119 2.088 1.00 0.00 O ATOM 1182 CB LEU A 995 4.687 3.932 2.089 1.00 0.00 C ATOM 1183 CG LEU A 995 4.025 4.452 3.382 1.00 0.00 C ATOM 1184 CD1 LEU A 995 5.063 4.873 4.412 1.00 0.00 C ATOM 1185 CD2 LEU A 995 3.069 5.598 3.078 1.00 0.00 C ATOM 0 H LEU A 995 6.019 3.375 -0.005 1.00 0.00 H new ATOM 0 HA LEU A 995 4.263 5.462 0.674 1.00 0.00 H new ATOM 0 HB2 LEU A 995 3.978 3.273 1.588 1.00 0.00 H new ATOM 0 HB3 LEU A 995 5.545 3.321 2.371 1.00 0.00 H new ATOM 0 HG LEU A 995 3.451 3.630 3.810 1.00 0.00 H new ATOM 0 HD11 LEU A 995 4.560 5.234 5.309 1.00 0.00 H new ATOM 0 HD12 LEU A 995 5.690 4.019 4.666 1.00 0.00 H new ATOM 0 HD13 LEU A 995 5.683 5.669 3.999 1.00 0.00 H new ATOM 0 HD21 LEU A 995 2.614 5.948 4.005 1.00 0.00 H new ATOM 0 HD22 LEU A 995 3.618 6.416 2.612 1.00 0.00 H new ATOM 0 HD23 LEU A 995 2.289 5.251 2.400 1.00 0.00 H new ATOM 1197 N ALA A 996 7.354 5.715 1.781 1.00 0.00 N ATOM 1198 CA ALA A 996 8.336 6.645 2.303 1.00 0.00 C ATOM 1199 C ALA A 996 8.377 7.916 1.468 1.00 0.00 C ATOM 1200 O ALA A 996 8.360 9.016 2.011 1.00 0.00 O ATOM 1201 CB ALA A 996 9.713 6.013 2.379 1.00 0.00 C ATOM 0 H ALA A 996 7.736 4.816 1.487 1.00 0.00 H new ATOM 0 HA ALA A 996 8.032 6.908 3.316 1.00 0.00 H new ATOM 0 HB1 ALA A 996 10.425 6.738 2.774 1.00 0.00 H new ATOM 0 HB2 ALA A 996 9.678 5.143 3.035 1.00 0.00 H new ATOM 0 HB3 ALA A 996 10.027 5.703 1.382 1.00 0.00 H new ATOM 1207 N GLU A 997 8.442 7.793 0.150 1.00 0.00 N ATOM 1208 CA GLU A 997 8.396 8.988 -0.677 1.00 0.00 C ATOM 1209 C GLU A 997 7.126 9.765 -0.462 1.00 0.00 C ATOM 1210 O GLU A 997 7.154 10.982 -0.462 1.00 0.00 O ATOM 1211 CB GLU A 997 8.537 8.698 -2.153 1.00 0.00 C ATOM 1212 CG GLU A 997 9.935 8.323 -2.557 1.00 0.00 C ATOM 1213 CD GLU A 997 10.188 8.614 -4.020 1.00 0.00 C ATOM 1214 OE1 GLU A 997 10.004 9.783 -4.436 1.00 0.00 O ATOM 1215 OE2 GLU A 997 10.574 7.687 -4.762 1.00 0.00 O ATOM 0 H GLU A 997 8.524 6.911 -0.355 1.00 0.00 H new ATOM 0 HA GLU A 997 9.254 9.581 -0.361 1.00 0.00 H new ATOM 0 HB2 GLU A 997 7.859 7.888 -2.423 1.00 0.00 H new ATOM 0 HB3 GLU A 997 8.226 9.576 -2.719 1.00 0.00 H new ATOM 0 HG2 GLU A 997 10.651 8.874 -1.947 1.00 0.00 H new ATOM 0 HG3 GLU A 997 10.099 7.263 -2.362 1.00 0.00 H new ATOM 1222 N LEU A 998 6.017 9.080 -0.265 1.00 0.00 N ATOM 1223 CA LEU A 998 4.760 9.778 -0.091 1.00 0.00 C ATOM 1224 C LEU A 998 4.769 10.526 1.234 1.00 0.00 C ATOM 1225 O LEU A 998 4.224 11.622 1.340 1.00 0.00 O ATOM 1226 CB LEU A 998 3.569 8.822 -0.174 1.00 0.00 C ATOM 1227 CG LEU A 998 2.198 9.505 -0.155 1.00 0.00 C ATOM 1228 CD1 LEU A 998 2.128 10.590 -1.220 1.00 0.00 C ATOM 1229 CD2 LEU A 998 1.086 8.489 -0.359 1.00 0.00 C ATOM 0 H LEU A 998 5.960 8.063 -0.222 1.00 0.00 H new ATOM 0 HA LEU A 998 4.649 10.496 -0.904 1.00 0.00 H new ATOM 0 HB2 LEU A 998 3.655 8.235 -1.088 1.00 0.00 H new ATOM 0 HB3 LEU A 998 3.623 8.123 0.660 1.00 0.00 H new ATOM 0 HG LEU A 998 2.062 9.968 0.822 1.00 0.00 H new ATOM 0 HD11 LEU A 998 1.147 11.065 -1.192 1.00 0.00 H new ATOM 0 HD12 LEU A 998 2.898 11.337 -1.029 1.00 0.00 H new ATOM 0 HD13 LEU A 998 2.289 10.146 -2.203 1.00 0.00 H new ATOM 0 HD21 LEU A 998 0.122 8.997 -0.342 1.00 0.00 H new ATOM 0 HD22 LEU A 998 1.218 7.993 -1.321 1.00 0.00 H new ATOM 0 HD23 LEU A 998 1.120 7.747 0.439 1.00 0.00 H new ATOM 1241 N ILE A 999 5.436 9.961 2.229 1.00 0.00 N ATOM 1242 CA ILE A 999 5.510 10.623 3.533 1.00 0.00 C ATOM 1243 C ILE A 999 6.558 11.737 3.521 1.00 0.00 C ATOM 1244 O ILE A 999 6.481 12.679 4.303 1.00 0.00 O ATOM 1245 CB ILE A 999 5.761 9.653 4.718 1.00 0.00 C ATOM 1246 CG1 ILE A 999 7.113 8.947 4.600 1.00 0.00 C ATOM 1247 CG2 ILE A 999 4.633 8.633 4.808 1.00 0.00 C ATOM 1248 CD1 ILE A 999 7.420 8.017 5.755 1.00 0.00 C ATOM 0 H ILE A 999 5.925 9.068 2.168 1.00 0.00 H new ATOM 0 HA ILE A 999 4.523 11.055 3.700 1.00 0.00 H new ATOM 0 HB ILE A 999 5.783 10.245 5.633 1.00 0.00 H new ATOM 0 HG12 ILE A 999 7.135 8.377 3.671 1.00 0.00 H new ATOM 0 HG13 ILE A 999 7.900 9.698 4.532 1.00 0.00 H new ATOM 0 HG21 ILE A 999 4.819 7.957 5.643 1.00 0.00 H new ATOM 0 HG22 ILE A 999 3.686 9.150 4.964 1.00 0.00 H new ATOM 0 HG23 ILE A 999 4.585 8.061 3.882 1.00 0.00 H new ATOM 0 HD11 ILE A 999 8.394 7.554 5.600 1.00 0.00 H new ATOM 0 HD12 ILE A 999 7.432 8.584 6.686 1.00 0.00 H new ATOM 0 HD13 ILE A 999 6.655 7.243 5.812 1.00 0.00 H new ATOM 1260 N ASN A1000 7.544 11.627 2.642 1.00 0.00 N ATOM 1261 CA ASN A1000 8.438 12.752 2.355 1.00 0.00 C ATOM 1262 C ASN A1000 7.776 13.719 1.405 1.00 0.00 C ATOM 1263 O ASN A1000 8.225 14.835 1.269 1.00 0.00 O ATOM 1264 CB ASN A1000 9.756 12.282 1.730 1.00 0.00 C ATOM 1265 CG ASN A1000 10.680 11.589 2.707 1.00 0.00 C ATOM 1266 OD1 ASN A1000 11.513 12.226 3.350 1.00 0.00 O ATOM 1267 ND2 ASN A1000 10.547 10.280 2.815 1.00 0.00 N ATOM 0 H ASN A1000 7.749 10.778 2.115 1.00 0.00 H new ATOM 0 HA ASN A1000 8.651 13.241 3.305 1.00 0.00 H new ATOM 0 HB2 ASN A1000 9.535 11.602 0.907 1.00 0.00 H new ATOM 0 HB3 ASN A1000 10.272 13.142 1.303 1.00 0.00 H new ATOM 0 HD21 ASN A1000 11.149 9.757 3.451 1.00 0.00 H new ATOM 0 HD22 ASN A1000 9.842 9.792 2.262 1.00 0.00 H new ATOM 1274 N LYS A1001 6.731 13.283 0.730 1.00 0.00 N ATOM 1275 CA LYS A1001 6.009 14.154 -0.180 1.00 0.00 C ATOM 1276 C LYS A1001 4.940 14.945 0.568 1.00 0.00 C ATOM 1277 O LYS A1001 4.643 16.072 0.203 1.00 0.00 O ATOM 1278 CB LYS A1001 5.436 13.367 -1.360 1.00 0.00 C ATOM 1279 CG LYS A1001 6.285 13.476 -2.631 1.00 0.00 C ATOM 1280 CD LYS A1001 7.757 13.170 -2.379 1.00 0.00 C ATOM 1281 CE LYS A1001 8.611 13.399 -3.621 1.00 0.00 C ATOM 1282 NZ LYS A1001 8.367 12.379 -4.679 1.00 0.00 N ATOM 0 H LYS A1001 6.363 12.334 0.793 1.00 0.00 H new ATOM 0 HA LYS A1001 6.710 14.876 -0.599 1.00 0.00 H new ATOM 0 HB2 LYS A1001 5.348 12.317 -1.079 1.00 0.00 H new ATOM 0 HB3 LYS A1001 4.429 13.726 -1.572 1.00 0.00 H new ATOM 0 HG2 LYS A1001 5.898 12.788 -3.383 1.00 0.00 H new ATOM 0 HG3 LYS A1001 6.191 14.482 -3.041 1.00 0.00 H new ATOM 0 HD2 LYS A1001 8.123 13.798 -1.567 1.00 0.00 H new ATOM 0 HD3 LYS A1001 7.861 12.135 -2.054 1.00 0.00 H new ATOM 0 HE2 LYS A1001 8.403 14.391 -4.023 1.00 0.00 H new ATOM 0 HE3 LYS A1001 9.664 13.383 -3.341 1.00 0.00 H new ATOM 0 HZ1 LYS A1001 9.053 12.508 -5.450 1.00 0.00 H new ATOM 0 HZ2 LYS A1001 8.475 11.427 -4.275 1.00 0.00 H new ATOM 0 HZ3 LYS A1001 7.402 12.489 -5.052 1.00 0.00 H new ATOM 1296 N MET A1002 4.372 14.353 1.621 1.00 0.00 N ATOM 1297 CA MET A1002 3.540 15.097 2.554 1.00 0.00 C ATOM 1298 C MET A1002 4.449 16.034 3.312 1.00 0.00 C ATOM 1299 O MET A1002 4.090 17.165 3.630 1.00 0.00 O ATOM 1300 CB MET A1002 2.818 14.162 3.537 1.00 0.00 C ATOM 1301 CG MET A1002 3.720 13.555 4.603 1.00 0.00 C ATOM 1302 SD MET A1002 2.873 12.402 5.697 1.00 0.00 S ATOM 1303 CE MET A1002 4.177 12.025 6.865 1.00 0.00 C ATOM 0 H MET A1002 4.476 13.363 1.844 1.00 0.00 H new ATOM 0 HA MET A1002 2.771 15.642 2.007 1.00 0.00 H new ATOM 0 HB2 MET A1002 2.019 14.717 4.028 1.00 0.00 H new ATOM 0 HB3 MET A1002 2.347 13.356 2.974 1.00 0.00 H new ATOM 0 HG2 MET A1002 4.547 13.039 4.116 1.00 0.00 H new ATOM 0 HG3 MET A1002 4.153 14.358 5.200 1.00 0.00 H new ATOM 0 HE1 MET A1002 4.207 10.950 7.043 1.00 0.00 H new ATOM 0 HE2 MET A1002 5.134 12.353 6.460 1.00 0.00 H new ATOM 0 HE3 MET A1002 3.985 12.543 7.805 1.00 0.00 H new ATOM 1313 N LYS A1003 5.650 15.531 3.579 1.00 0.00 N ATOM 1314 CA LYS A1003 6.694 16.310 4.188 1.00 0.00 C ATOM 1315 C LYS A1003 7.051 17.456 3.268 1.00 0.00 C ATOM 1316 O LYS A1003 6.982 18.589 3.668 1.00 0.00 O ATOM 1317 CB LYS A1003 7.917 15.428 4.450 1.00 0.00 C ATOM 1318 CG LYS A1003 9.090 16.146 5.094 1.00 0.00 C ATOM 1319 CD LYS A1003 10.274 15.207 5.271 1.00 0.00 C ATOM 1320 CE LYS A1003 11.422 15.875 6.009 1.00 0.00 C ATOM 1321 NZ LYS A1003 11.040 16.275 7.388 1.00 0.00 N ATOM 0 H LYS A1003 5.916 14.568 3.374 1.00 0.00 H new ATOM 0 HA LYS A1003 6.351 16.710 5.142 1.00 0.00 H new ATOM 0 HB2 LYS A1003 7.619 14.599 5.092 1.00 0.00 H new ATOM 0 HB3 LYS A1003 8.247 14.997 3.505 1.00 0.00 H new ATOM 0 HG2 LYS A1003 9.384 16.995 4.477 1.00 0.00 H new ATOM 0 HG3 LYS A1003 8.789 16.545 6.063 1.00 0.00 H new ATOM 0 HD2 LYS A1003 9.956 14.321 5.821 1.00 0.00 H new ATOM 0 HD3 LYS A1003 10.619 14.869 4.294 1.00 0.00 H new ATOM 0 HE2 LYS A1003 12.271 15.193 6.052 1.00 0.00 H new ATOM 0 HE3 LYS A1003 11.747 16.755 5.453 1.00 0.00 H new ATOM 0 HZ1 LYS A1003 11.897 16.488 7.938 1.00 0.00 H new ATOM 0 HZ2 LYS A1003 10.434 17.120 7.349 1.00 0.00 H new ATOM 0 HZ3 LYS A1003 10.521 15.497 7.844 1.00 0.00 H new ATOM 1335 N LEU A1004 7.415 17.131 2.032 1.00 0.00 N ATOM 1336 CA LEU A1004 7.757 18.122 1.012 1.00 0.00 C ATOM 1337 C LEU A1004 6.623 19.104 0.716 1.00 0.00 C ATOM 1338 O LEU A1004 6.863 20.303 0.590 1.00 0.00 O ATOM 1339 CB LEU A1004 8.198 17.421 -0.274 1.00 0.00 C ATOM 1340 CG LEU A1004 9.625 16.864 -0.251 1.00 0.00 C ATOM 1341 CD1 LEU A1004 9.956 16.190 -1.569 1.00 0.00 C ATOM 1342 CD2 LEU A1004 10.630 17.968 0.051 1.00 0.00 C ATOM 0 H LEU A1004 7.482 16.167 1.705 1.00 0.00 H new ATOM 0 HA LEU A1004 8.579 18.713 1.415 1.00 0.00 H new ATOM 0 HB2 LEU A1004 7.508 16.603 -0.479 1.00 0.00 H new ATOM 0 HB3 LEU A1004 8.112 18.125 -1.102 1.00 0.00 H new ATOM 0 HG LEU A1004 9.687 16.119 0.542 1.00 0.00 H new ATOM 0 HD11 LEU A1004 10.974 15.801 -1.533 1.00 0.00 H new ATOM 0 HD12 LEU A1004 9.260 15.370 -1.743 1.00 0.00 H new ATOM 0 HD13 LEU A1004 9.873 16.915 -2.379 1.00 0.00 H new ATOM 0 HD21 LEU A1004 11.637 17.550 0.063 1.00 0.00 H new ATOM 0 HD22 LEU A1004 10.566 18.739 -0.717 1.00 0.00 H new ATOM 0 HD23 LEU A1004 10.408 18.406 1.024 1.00 0.00 H new ATOM 1354 N ALA A1005 5.399 18.609 0.591 1.00 0.00 N ATOM 1355 CA ALA A1005 4.255 19.484 0.355 1.00 0.00 C ATOM 1356 C ALA A1005 4.131 20.503 1.479 1.00 0.00 C ATOM 1357 O ALA A1005 3.971 21.702 1.238 1.00 0.00 O ATOM 1358 CB ALA A1005 2.975 18.670 0.232 1.00 0.00 C ATOM 0 H ALA A1005 5.172 17.616 0.648 1.00 0.00 H new ATOM 0 HA ALA A1005 4.414 20.016 -0.583 1.00 0.00 H new ATOM 0 HB1 ALA A1005 2.133 19.340 0.056 1.00 0.00 H new ATOM 0 HB2 ALA A1005 3.065 17.974 -0.602 1.00 0.00 H new ATOM 0 HB3 ALA A1005 2.809 18.112 1.154 1.00 0.00 H new ATOM 1364 N GLN A1006 4.233 20.010 2.706 1.00 0.00 N ATOM 1365 CA GLN A1006 4.157 20.851 3.889 1.00 0.00 C ATOM 1366 C GLN A1006 5.481 21.597 4.093 1.00 0.00 C ATOM 1367 O GLN A1006 5.543 22.611 4.786 1.00 0.00 O ATOM 1368 CB GLN A1006 3.788 19.973 5.101 1.00 0.00 C ATOM 1369 CG GLN A1006 4.955 19.263 5.781 1.00 0.00 C ATOM 1370 CD GLN A1006 5.484 19.998 6.999 1.00 0.00 C ATOM 1371 OE1 GLN A1006 6.407 20.802 6.907 1.00 0.00 O ATOM 1372 NE2 GLN A1006 4.894 19.723 8.150 1.00 0.00 N ATOM 0 H GLN A1006 4.370 19.019 2.907 1.00 0.00 H new ATOM 0 HA GLN A1006 3.383 21.609 3.768 1.00 0.00 H new ATOM 0 HB2 GLN A1006 3.286 20.598 5.840 1.00 0.00 H new ATOM 0 HB3 GLN A1006 3.068 19.222 4.777 1.00 0.00 H new ATOM 0 HG2 GLN A1006 4.638 18.264 6.079 1.00 0.00 H new ATOM 0 HG3 GLN A1006 5.764 19.140 5.061 1.00 0.00 H new ATOM 0 HE21 GLN A1006 4.130 19.048 8.183 1.00 0.00 H new ATOM 0 HE22 GLN A1006 5.203 20.186 9.005 1.00 0.00 H new ATOM 1381 N GLN A1007 6.528 21.076 3.460 1.00 0.00 N ATOM 1382 CA GLN A1007 7.881 21.605 3.564 1.00 0.00 C ATOM 1383 C GLN A1007 8.023 22.873 2.729 1.00 0.00 C ATOM 1384 O GLN A1007 8.602 23.867 3.172 1.00 0.00 O ATOM 1385 CB GLN A1007 8.865 20.533 3.071 1.00 0.00 C ATOM 1386 CG GLN A1007 10.174 20.458 3.832 1.00 0.00 C ATOM 1387 CD GLN A1007 9.970 20.219 5.318 1.00 0.00 C ATOM 1388 OE1 GLN A1007 10.784 20.628 6.143 1.00 0.00 O ATOM 1389 NE2 GLN A1007 8.872 19.563 5.669 1.00 0.00 N ATOM 0 H GLN A1007 6.457 20.261 2.851 1.00 0.00 H new ATOM 0 HA GLN A1007 8.097 21.858 4.602 1.00 0.00 H new ATOM 0 HB2 GLN A1007 8.375 19.561 3.126 1.00 0.00 H new ATOM 0 HB3 GLN A1007 9.085 20.720 2.020 1.00 0.00 H new ATOM 0 HG2 GLN A1007 10.785 19.656 3.419 1.00 0.00 H new ATOM 0 HG3 GLN A1007 10.727 21.386 3.689 1.00 0.00 H new ATOM 0 HE21 GLN A1007 8.221 19.240 4.954 1.00 0.00 H new ATOM 0 HE22 GLN A1007 8.679 19.382 6.654 1.00 0.00 H new ATOM 1398 N TYR A1008 7.496 22.818 1.512 1.00 0.00 N ATOM 1399 CA TYR A1008 7.478 23.966 0.622 1.00 0.00 C ATOM 1400 C TYR A1008 6.472 24.990 1.126 1.00 0.00 C ATOM 1401 O TYR A1008 6.839 26.114 1.480 1.00 0.00 O ATOM 1402 CB TYR A1008 7.095 23.521 -0.794 1.00 0.00 C ATOM 1403 CG TYR A1008 8.076 23.928 -1.872 1.00 0.00 C ATOM 1404 CD1 TYR A1008 9.379 24.297 -1.563 1.00 0.00 C ATOM 1405 CD2 TYR A1008 7.696 23.919 -3.209 1.00 0.00 C ATOM 1406 CE1 TYR A1008 10.275 24.647 -2.555 1.00 0.00 C ATOM 1407 CE2 TYR A1008 8.585 24.270 -4.211 1.00 0.00 C ATOM 1408 CZ TYR A1008 9.875 24.631 -3.877 1.00 0.00 C ATOM 1409 OH TYR A1008 10.775 24.971 -4.863 1.00 0.00 O ATOM 0 H TYR A1008 7.071 21.979 1.118 1.00 0.00 H new ATOM 0 HA TYR A1008 8.471 24.416 0.600 1.00 0.00 H new ATOM 0 HB2 TYR A1008 6.994 22.436 -0.804 1.00 0.00 H new ATOM 0 HB3 TYR A1008 6.116 23.934 -1.038 1.00 0.00 H new ATOM 0 HD1 TYR A1008 9.697 24.311 -0.531 1.00 0.00 H new ATOM 0 HD2 TYR A1008 6.688 23.633 -3.471 1.00 0.00 H new ATOM 0 HE1 TYR A1008 11.284 24.932 -2.298 1.00 0.00 H new ATOM 0 HE2 TYR A1008 8.272 24.261 -5.245 1.00 0.00 H new ATOM 0 HH TYR A1008 10.340 24.909 -5.739 1.00 0.00 H new ATOM 1419 N VAL A1009 5.203 24.558 1.176 1.00 0.00 N ATOM 1420 CA VAL A1009 4.066 25.385 1.598 1.00 0.00 C ATOM 1421 C VAL A1009 4.222 26.855 1.157 1.00 0.00 C ATOM 1422 O VAL A1009 4.258 27.785 1.966 1.00 0.00 O ATOM 1423 CB VAL A1009 3.791 25.246 3.126 1.00 0.00 C ATOM 1424 CG1 VAL A1009 4.957 25.745 3.972 1.00 0.00 C ATOM 1425 CG2 VAL A1009 2.498 25.948 3.514 1.00 0.00 C ATOM 0 H VAL A1009 4.935 23.608 0.920 1.00 0.00 H new ATOM 0 HA VAL A1009 3.183 25.006 1.084 1.00 0.00 H new ATOM 0 HB VAL A1009 3.680 24.182 3.333 1.00 0.00 H new ATOM 0 HG11 VAL A1009 4.717 25.627 5.029 1.00 0.00 H new ATOM 0 HG12 VAL A1009 5.851 25.167 3.736 1.00 0.00 H new ATOM 0 HG13 VAL A1009 5.138 26.798 3.757 1.00 0.00 H new ATOM 0 HG21 VAL A1009 2.330 25.835 4.585 1.00 0.00 H new ATOM 0 HG22 VAL A1009 2.571 27.007 3.267 1.00 0.00 H new ATOM 0 HG23 VAL A1009 1.665 25.505 2.968 1.00 0.00 H new ATOM 1435 N MET A1010 4.334 27.048 -0.153 1.00 0.00 N ATOM 1436 CA MET A1010 4.486 28.381 -0.730 1.00 0.00 C ATOM 1437 C MET A1010 3.375 28.669 -1.734 1.00 0.00 C ATOM 1438 O MET A1010 3.629 29.202 -2.807 1.00 0.00 O ATOM 1439 CB MET A1010 5.843 28.518 -1.423 1.00 0.00 C ATOM 1440 CG MET A1010 7.028 28.534 -0.473 1.00 0.00 C ATOM 1441 SD MET A1010 8.604 28.670 -1.337 1.00 0.00 S ATOM 1442 CE MET A1010 9.749 28.671 0.041 1.00 0.00 C ATOM 0 H MET A1010 4.322 26.294 -0.840 1.00 0.00 H new ATOM 0 HA MET A1010 4.424 29.102 0.085 1.00 0.00 H new ATOM 0 HB2 MET A1010 5.965 27.693 -2.125 1.00 0.00 H new ATOM 0 HB3 MET A1010 5.848 29.437 -2.008 1.00 0.00 H new ATOM 0 HG2 MET A1010 6.923 29.370 0.219 1.00 0.00 H new ATOM 0 HG3 MET A1010 7.023 27.623 0.125 1.00 0.00 H new ATOM 0 HE1 MET A1010 10.769 28.750 -0.334 1.00 0.00 H new ATOM 0 HE2 MET A1010 9.535 29.519 0.692 1.00 0.00 H new ATOM 0 HE3 MET A1010 9.640 27.745 0.605 1.00 0.00 H new ATOM 1452 N THR A1011 2.152 28.292 -1.373 1.00 0.00 N ATOM 1453 CA THR A1011 0.961 28.567 -2.180 1.00 0.00 C ATOM 1454 C THR A1011 1.067 28.010 -3.610 1.00 0.00 C ATOM 1455 O THR A1011 0.785 26.834 -3.842 1.00 0.00 O ATOM 1456 CB THR A1011 0.661 30.077 -2.211 1.00 0.00 C ATOM 1457 OG1 THR A1011 0.740 30.598 -0.876 1.00 0.00 O ATOM 1458 CG2 THR A1011 -0.725 30.351 -2.778 1.00 0.00 C ATOM 0 H THR A1011 1.955 27.785 -0.510 1.00 0.00 H new ATOM 0 HA THR A1011 0.132 28.047 -1.699 1.00 0.00 H new ATOM 0 HB THR A1011 1.395 30.563 -2.853 1.00 0.00 H new ATOM 0 HG1 THR A1011 0.552 31.560 -0.888 1.00 0.00 H new ATOM 0 HG21 THR A1011 -0.908 31.425 -2.787 1.00 0.00 H new ATOM 0 HG22 THR A1011 -0.785 29.964 -3.795 1.00 0.00 H new ATOM 0 HG23 THR A1011 -1.475 29.860 -2.158 1.00 0.00 H new ATOM 1466 N SER A1012 1.500 28.833 -4.560 1.00 0.00 N ATOM 1467 CA SER A1012 1.549 28.418 -5.955 1.00 0.00 C ATOM 1468 C SER A1012 2.817 27.621 -6.227 1.00 0.00 C ATOM 1469 O SER A1012 2.831 26.722 -7.069 1.00 0.00 O ATOM 1470 CB SER A1012 1.463 29.635 -6.874 1.00 0.00 C ATOM 1471 OG SER A1012 0.287 30.379 -6.601 1.00 0.00 O ATOM 0 H SER A1012 1.820 29.786 -4.389 1.00 0.00 H new ATOM 0 HA SER A1012 0.693 27.775 -6.160 1.00 0.00 H new ATOM 0 HB2 SER A1012 2.341 30.266 -6.735 1.00 0.00 H new ATOM 0 HB3 SER A1012 1.464 29.313 -7.915 1.00 0.00 H new ATOM 0 HG SER A1012 0.246 31.157 -7.196 1.00 0.00 H new ATOM 1477 N LEU A1013 3.879 27.941 -5.504 1.00 0.00 N ATOM 1478 CA LEU A1013 5.097 27.150 -5.573 1.00 0.00 C ATOM 1479 C LEU A1013 4.868 25.821 -4.871 1.00 0.00 C ATOM 1480 O LEU A1013 5.479 24.809 -5.202 1.00 0.00 O ATOM 1481 CB LEU A1013 6.268 27.899 -4.932 1.00 0.00 C ATOM 1482 CG LEU A1013 6.643 29.217 -5.610 1.00 0.00 C ATOM 1483 CD1 LEU A1013 7.771 29.901 -4.857 1.00 0.00 C ATOM 1484 CD2 LEU A1013 7.043 28.980 -7.059 1.00 0.00 C ATOM 0 H LEU A1013 3.922 28.737 -4.867 1.00 0.00 H new ATOM 0 HA LEU A1013 5.349 26.971 -6.618 1.00 0.00 H new ATOM 0 HB2 LEU A1013 6.023 28.101 -3.889 1.00 0.00 H new ATOM 0 HB3 LEU A1013 7.141 27.246 -4.933 1.00 0.00 H new ATOM 0 HG LEU A1013 5.770 29.869 -5.595 1.00 0.00 H new ATOM 0 HD11 LEU A1013 8.025 30.837 -5.354 1.00 0.00 H new ATOM 0 HD12 LEU A1013 7.454 30.107 -3.835 1.00 0.00 H new ATOM 0 HD13 LEU A1013 8.645 29.250 -4.841 1.00 0.00 H new ATOM 0 HD21 LEU A1013 7.306 29.930 -7.524 1.00 0.00 H new ATOM 0 HD22 LEU A1013 7.901 28.309 -7.094 1.00 0.00 H new ATOM 0 HD23 LEU A1013 6.209 28.531 -7.598 1.00 0.00 H new ATOM 1496 N GLN A1014 3.948 25.839 -3.914 1.00 0.00 N ATOM 1497 CA GLN A1014 3.569 24.641 -3.182 1.00 0.00 C ATOM 1498 C GLN A1014 2.920 23.639 -4.131 1.00 0.00 C ATOM 1499 O GLN A1014 3.148 22.436 -4.018 1.00 0.00 O ATOM 1500 CB GLN A1014 2.612 25.026 -2.045 1.00 0.00 C ATOM 1501 CG GLN A1014 2.218 23.898 -1.102 1.00 0.00 C ATOM 1502 CD GLN A1014 0.976 23.163 -1.561 1.00 0.00 C ATOM 1503 OE1 GLN A1014 1.163 22.064 -2.258 1.00 0.00 O flip ATOM 1504 NE2 GLN A1014 -0.144 23.574 -1.271 1.00 0.00 N flip ATOM 0 H GLN A1014 3.448 26.680 -3.626 1.00 0.00 H new ATOM 0 HA GLN A1014 4.453 24.173 -2.750 1.00 0.00 H new ATOM 0 HB2 GLN A1014 3.075 25.820 -1.459 1.00 0.00 H new ATOM 0 HB3 GLN A1014 1.705 25.441 -2.484 1.00 0.00 H new ATOM 0 HG2 GLN A1014 3.044 23.192 -1.021 1.00 0.00 H new ATOM 0 HG3 GLN A1014 2.047 24.305 -0.105 1.00 0.00 H new ATOM 0 HE21 GLN A1014 -0.248 24.431 -0.728 1.00 0.00 H new ATOM 0 HE22 GLN A1014 -0.971 23.058 -1.573 1.00 0.00 H new ATOM 1513 N GLN A1015 2.135 24.151 -5.079 1.00 0.00 N ATOM 1514 CA GLN A1015 1.409 23.312 -6.030 1.00 0.00 C ATOM 1515 C GLN A1015 2.361 22.372 -6.763 1.00 0.00 C ATOM 1516 O GLN A1015 2.058 21.192 -6.944 1.00 0.00 O ATOM 1517 CB GLN A1015 0.656 24.174 -7.041 1.00 0.00 C ATOM 1518 CG GLN A1015 -0.321 23.383 -7.895 1.00 0.00 C ATOM 1519 CD GLN A1015 -0.975 24.226 -8.970 1.00 0.00 C ATOM 1520 OE1 GLN A1015 -1.135 25.436 -8.813 1.00 0.00 O ATOM 1521 NE2 GLN A1015 -1.373 23.590 -10.059 1.00 0.00 N ATOM 0 H GLN A1015 1.986 25.152 -5.208 1.00 0.00 H new ATOM 0 HA GLN A1015 0.691 22.715 -5.468 1.00 0.00 H new ATOM 0 HB2 GLN A1015 0.113 24.955 -6.509 1.00 0.00 H new ATOM 0 HB3 GLN A1015 1.376 24.672 -7.691 1.00 0.00 H new ATOM 0 HG2 GLN A1015 0.204 22.549 -8.362 1.00 0.00 H new ATOM 0 HG3 GLN A1015 -1.093 22.955 -7.255 1.00 0.00 H new ATOM 0 HE21 GLN A1015 -1.220 22.585 -10.147 1.00 0.00 H new ATOM 0 HE22 GLN A1015 -1.833 24.104 -10.810 1.00 0.00 H new ATOM 1530 N GLU A1016 3.503 22.905 -7.191 1.00 0.00 N ATOM 1531 CA GLU A1016 4.560 22.095 -7.796 1.00 0.00 C ATOM 1532 C GLU A1016 4.899 20.881 -6.930 1.00 0.00 C ATOM 1533 O GLU A1016 5.018 19.762 -7.436 1.00 0.00 O ATOM 1534 CB GLU A1016 5.815 22.946 -8.018 1.00 0.00 C ATOM 1535 CG GLU A1016 6.976 22.163 -8.609 1.00 0.00 C ATOM 1536 CD GLU A1016 8.169 23.032 -8.937 1.00 0.00 C ATOM 1537 OE1 GLU A1016 8.071 23.858 -9.870 1.00 0.00 O ATOM 1538 OE2 GLU A1016 9.218 22.880 -8.285 1.00 0.00 O ATOM 0 H GLU A1016 3.722 23.899 -7.130 1.00 0.00 H new ATOM 0 HA GLU A1016 4.194 21.732 -8.757 1.00 0.00 H new ATOM 0 HB2 GLU A1016 5.570 23.776 -8.681 1.00 0.00 H new ATOM 0 HB3 GLU A1016 6.125 23.379 -7.067 1.00 0.00 H new ATOM 0 HG2 GLU A1016 7.280 21.388 -7.905 1.00 0.00 H new ATOM 0 HG3 GLU A1016 6.642 21.657 -9.515 1.00 0.00 H new ATOM 1545 N TYR A1017 5.008 21.089 -5.626 1.00 0.00 N ATOM 1546 CA TYR A1017 5.342 20.003 -4.714 1.00 0.00 C ATOM 1547 C TYR A1017 4.123 19.130 -4.448 1.00 0.00 C ATOM 1548 O TYR A1017 4.257 17.965 -4.090 1.00 0.00 O ATOM 1549 CB TYR A1017 5.931 20.537 -3.407 1.00 0.00 C ATOM 1550 CG TYR A1017 7.448 20.565 -3.408 1.00 0.00 C ATOM 1551 CD1 TYR A1017 8.161 20.721 -4.595 1.00 0.00 C ATOM 1552 CD2 TYR A1017 8.170 20.418 -2.230 1.00 0.00 C ATOM 1553 CE1 TYR A1017 9.543 20.737 -4.603 1.00 0.00 C ATOM 1554 CE2 TYR A1017 9.553 20.433 -2.233 1.00 0.00 C ATOM 1555 CZ TYR A1017 10.234 20.591 -3.420 1.00 0.00 C ATOM 1556 OH TYR A1017 11.613 20.604 -3.424 1.00 0.00 O ATOM 0 H TYR A1017 4.871 21.994 -5.177 1.00 0.00 H new ATOM 0 HA TYR A1017 6.104 19.387 -5.191 1.00 0.00 H new ATOM 0 HB2 TYR A1017 5.555 21.545 -3.230 1.00 0.00 H new ATOM 0 HB3 TYR A1017 5.585 19.918 -2.579 1.00 0.00 H new ATOM 0 HD1 TYR A1017 7.624 20.831 -5.526 1.00 0.00 H new ATOM 0 HD2 TYR A1017 7.642 20.290 -1.296 1.00 0.00 H new ATOM 0 HE1 TYR A1017 10.079 20.863 -5.532 1.00 0.00 H new ATOM 0 HE2 TYR A1017 10.098 20.321 -1.307 1.00 0.00 H new ATOM 0 HH TYR A1017 11.944 20.490 -2.509 1.00 0.00 H new ATOM 1566 N LYS A1018 2.936 19.696 -4.635 1.00 0.00 N ATOM 1567 CA LYS A1018 1.706 18.916 -4.572 1.00 0.00 C ATOM 1568 C LYS A1018 1.678 17.915 -5.723 1.00 0.00 C ATOM 1569 O LYS A1018 1.229 16.783 -5.564 1.00 0.00 O ATOM 1570 CB LYS A1018 0.471 19.829 -4.626 1.00 0.00 C ATOM 1571 CG LYS A1018 -0.851 19.077 -4.516 1.00 0.00 C ATOM 1572 CD LYS A1018 -2.050 20.018 -4.478 1.00 0.00 C ATOM 1573 CE LYS A1018 -2.195 20.810 -5.771 1.00 0.00 C ATOM 1574 NZ LYS A1018 -3.490 21.539 -5.833 1.00 0.00 N ATOM 0 H LYS A1018 2.800 20.688 -4.831 1.00 0.00 H new ATOM 0 HA LYS A1018 1.681 18.378 -3.624 1.00 0.00 H new ATOM 0 HB2 LYS A1018 0.533 20.558 -3.818 1.00 0.00 H new ATOM 0 HB3 LYS A1018 0.484 20.389 -5.561 1.00 0.00 H new ATOM 0 HG2 LYS A1018 -0.952 18.398 -5.362 1.00 0.00 H new ATOM 0 HG3 LYS A1018 -0.844 18.464 -3.615 1.00 0.00 H new ATOM 0 HD2 LYS A1018 -2.958 19.441 -4.302 1.00 0.00 H new ATOM 0 HD3 LYS A1018 -1.943 20.707 -3.641 1.00 0.00 H new ATOM 0 HE2 LYS A1018 -1.374 21.522 -5.855 1.00 0.00 H new ATOM 0 HE3 LYS A1018 -2.118 20.133 -6.622 1.00 0.00 H new ATOM 0 HZ1 LYS A1018 -3.550 22.065 -6.728 1.00 0.00 H new ATOM 0 HZ2 LYS A1018 -4.274 20.858 -5.779 1.00 0.00 H new ATOM 0 HZ3 LYS A1018 -3.553 22.204 -5.036 1.00 0.00 H new ATOM 1588 N LYS A1019 2.185 18.338 -6.875 1.00 0.00 N ATOM 1589 CA LYS A1019 2.284 17.457 -8.032 1.00 0.00 C ATOM 1590 C LYS A1019 3.368 16.410 -7.805 1.00 0.00 C ATOM 1591 O LYS A1019 3.152 15.220 -8.039 1.00 0.00 O ATOM 1592 CB LYS A1019 2.590 18.256 -9.295 1.00 0.00 C ATOM 1593 CG LYS A1019 1.562 19.331 -9.602 1.00 0.00 C ATOM 1594 CD LYS A1019 1.906 20.069 -10.882 1.00 0.00 C ATOM 1595 CE LYS A1019 1.731 19.179 -12.102 1.00 0.00 C ATOM 1596 NZ LYS A1019 2.443 19.718 -13.288 1.00 0.00 N ATOM 0 H LYS A1019 2.533 19.284 -7.033 1.00 0.00 H new ATOM 0 HA LYS A1019 1.325 16.956 -8.162 1.00 0.00 H new ATOM 0 HB2 LYS A1019 3.570 18.722 -9.191 1.00 0.00 H new ATOM 0 HB3 LYS A1019 2.651 17.572 -10.141 1.00 0.00 H new ATOM 0 HG2 LYS A1019 0.575 18.878 -9.694 1.00 0.00 H new ATOM 0 HG3 LYS A1019 1.512 20.038 -8.774 1.00 0.00 H new ATOM 0 HD2 LYS A1019 1.270 20.949 -10.978 1.00 0.00 H new ATOM 0 HD3 LYS A1019 2.936 20.423 -10.833 1.00 0.00 H new ATOM 0 HE2 LYS A1019 2.104 18.179 -11.878 1.00 0.00 H new ATOM 0 HE3 LYS A1019 0.670 19.080 -12.330 1.00 0.00 H new ATOM 0 HZ1 LYS A1019 2.299 19.082 -14.098 1.00 0.00 H new ATOM 0 HZ2 LYS A1019 2.070 20.661 -13.518 1.00 0.00 H new ATOM 0 HZ3 LYS A1019 3.460 19.789 -13.080 1.00 0.00 H new ATOM 1610 N GLN A1020 4.548 16.865 -7.378 1.00 0.00 N ATOM 1611 CA GLN A1020 5.622 15.954 -6.975 1.00 0.00 C ATOM 1612 C GLN A1020 5.112 14.944 -5.948 1.00 0.00 C ATOM 1613 O GLN A1020 5.497 13.771 -5.960 1.00 0.00 O ATOM 1614 CB GLN A1020 6.808 16.723 -6.386 1.00 0.00 C ATOM 1615 CG GLN A1020 7.402 17.768 -7.318 1.00 0.00 C ATOM 1616 CD GLN A1020 7.795 17.211 -8.676 1.00 0.00 C ATOM 1617 OE1 GLN A1020 8.123 16.030 -8.813 1.00 0.00 O ATOM 1618 NE2 GLN A1020 7.763 18.063 -9.690 1.00 0.00 N ATOM 0 H GLN A1020 4.784 17.855 -7.302 1.00 0.00 H new ATOM 0 HA GLN A1020 5.956 15.425 -7.868 1.00 0.00 H new ATOM 0 HB2 GLN A1020 6.488 17.213 -5.467 1.00 0.00 H new ATOM 0 HB3 GLN A1020 7.587 16.012 -6.113 1.00 0.00 H new ATOM 0 HG2 GLN A1020 6.679 18.572 -7.458 1.00 0.00 H new ATOM 0 HG3 GLN A1020 8.280 18.208 -6.846 1.00 0.00 H new ATOM 0 HE21 GLN A1020 7.486 19.032 -9.533 1.00 0.00 H new ATOM 0 HE22 GLN A1020 8.016 17.750 -10.627 1.00 0.00 H new ATOM 1627 N MET A1021 4.241 15.415 -5.064 1.00 0.00 N ATOM 1628 CA MET A1021 3.599 14.565 -4.074 1.00 0.00 C ATOM 1629 C MET A1021 2.725 13.518 -4.748 1.00 0.00 C ATOM 1630 O MET A1021 2.844 12.328 -4.463 1.00 0.00 O ATOM 1631 CB MET A1021 2.759 15.411 -3.119 1.00 0.00 C ATOM 1632 CG MET A1021 2.055 14.609 -2.039 1.00 0.00 C ATOM 1633 SD MET A1021 0.963 15.634 -1.045 1.00 0.00 S ATOM 1634 CE MET A1021 -0.160 16.225 -2.308 1.00 0.00 C ATOM 0 H MET A1021 3.962 16.395 -5.015 1.00 0.00 H new ATOM 0 HA MET A1021 4.376 14.053 -3.507 1.00 0.00 H new ATOM 0 HB2 MET A1021 3.402 16.152 -2.645 1.00 0.00 H new ATOM 0 HB3 MET A1021 2.013 15.958 -3.695 1.00 0.00 H new ATOM 0 HG2 MET A1021 1.479 13.807 -2.500 1.00 0.00 H new ATOM 0 HG3 MET A1021 2.797 14.139 -1.394 1.00 0.00 H new ATOM 0 HE1 MET A1021 -0.916 16.865 -1.852 1.00 0.00 H new ATOM 0 HE2 MET A1021 0.397 16.795 -3.052 1.00 0.00 H new ATOM 0 HE3 MET A1021 -0.645 15.376 -2.789 1.00 0.00 H new ATOM 1644 N LEU A1022 1.869 13.964 -5.660 1.00 0.00 N ATOM 1645 CA LEU A1022 0.994 13.064 -6.401 1.00 0.00 C ATOM 1646 C LEU A1022 1.808 12.079 -7.235 1.00 0.00 C ATOM 1647 O LEU A1022 1.373 10.956 -7.487 1.00 0.00 O ATOM 1648 CB LEU A1022 0.046 13.861 -7.302 1.00 0.00 C ATOM 1649 CG LEU A1022 -0.930 14.782 -6.564 1.00 0.00 C ATOM 1650 CD1 LEU A1022 -1.767 15.572 -7.554 1.00 0.00 C ATOM 1651 CD2 LEU A1022 -1.827 13.979 -5.631 1.00 0.00 C ATOM 0 H LEU A1022 1.762 14.948 -5.905 1.00 0.00 H new ATOM 0 HA LEU A1022 0.402 12.498 -5.681 1.00 0.00 H new ATOM 0 HB2 LEU A1022 0.642 14.463 -7.988 1.00 0.00 H new ATOM 0 HB3 LEU A1022 -0.528 13.161 -7.909 1.00 0.00 H new ATOM 0 HG LEU A1022 -0.350 15.483 -5.963 1.00 0.00 H new ATOM 0 HD11 LEU A1022 -2.455 16.221 -7.012 1.00 0.00 H new ATOM 0 HD12 LEU A1022 -1.113 16.179 -8.181 1.00 0.00 H new ATOM 0 HD13 LEU A1022 -2.335 14.884 -8.181 1.00 0.00 H new ATOM 0 HD21 LEU A1022 -2.513 14.652 -5.117 1.00 0.00 H new ATOM 0 HD22 LEU A1022 -2.398 13.253 -6.210 1.00 0.00 H new ATOM 0 HD23 LEU A1022 -1.214 13.456 -4.897 1.00 0.00 H new ATOM 1663 N THR A1023 2.997 12.500 -7.645 1.00 0.00 N ATOM 1664 CA THR A1023 3.899 11.638 -8.394 1.00 0.00 C ATOM 1665 C THR A1023 4.383 10.478 -7.518 1.00 0.00 C ATOM 1666 O THR A1023 4.515 9.344 -7.983 1.00 0.00 O ATOM 1667 CB THR A1023 5.109 12.436 -8.920 1.00 0.00 C ATOM 1668 OG1 THR A1023 4.658 13.575 -9.672 1.00 0.00 O ATOM 1669 CG2 THR A1023 5.993 11.564 -9.800 1.00 0.00 C ATOM 0 H THR A1023 3.360 13.437 -7.470 1.00 0.00 H new ATOM 0 HA THR A1023 3.350 11.235 -9.245 1.00 0.00 H new ATOM 0 HB THR A1023 5.693 12.772 -8.063 1.00 0.00 H new ATOM 0 HG1 THR A1023 4.233 14.219 -9.067 1.00 0.00 H new ATOM 0 HG21 THR A1023 6.840 12.149 -10.159 1.00 0.00 H new ATOM 0 HG22 THR A1023 6.358 10.715 -9.222 1.00 0.00 H new ATOM 0 HG23 THR A1023 5.416 11.202 -10.651 1.00 0.00 H new ATOM 1677 N ALA A1024 4.602 10.765 -6.240 1.00 0.00 N ATOM 1678 CA ALA A1024 5.022 9.743 -5.292 1.00 0.00 C ATOM 1679 C ALA A1024 3.820 8.911 -4.874 1.00 0.00 C ATOM 1680 O ALA A1024 3.903 7.691 -4.748 1.00 0.00 O ATOM 1681 CB ALA A1024 5.684 10.373 -4.079 1.00 0.00 C ATOM 0 H ALA A1024 4.496 11.696 -5.838 1.00 0.00 H new ATOM 0 HA ALA A1024 5.754 9.094 -5.773 1.00 0.00 H new ATOM 0 HB1 ALA A1024 5.990 9.591 -3.384 1.00 0.00 H new ATOM 0 HB2 ALA A1024 6.560 10.940 -4.396 1.00 0.00 H new ATOM 0 HB3 ALA A1024 4.978 11.041 -3.585 1.00 0.00 H new ATOM 1687 N ALA A1025 2.696 9.594 -4.679 1.00 0.00 N ATOM 1688 CA ALA A1025 1.439 8.939 -4.356 1.00 0.00 C ATOM 1689 C ALA A1025 1.086 7.923 -5.427 1.00 0.00 C ATOM 1690 O ALA A1025 0.663 6.819 -5.118 1.00 0.00 O ATOM 1691 CB ALA A1025 0.327 9.967 -4.216 1.00 0.00 C ATOM 0 H ALA A1025 2.634 10.610 -4.741 1.00 0.00 H new ATOM 0 HA ALA A1025 1.552 8.419 -3.405 1.00 0.00 H new ATOM 0 HB1 ALA A1025 -0.608 9.461 -3.974 1.00 0.00 H new ATOM 0 HB2 ALA A1025 0.577 10.667 -3.419 1.00 0.00 H new ATOM 0 HB3 ALA A1025 0.213 10.510 -5.154 1.00 0.00 H new ATOM 1697 N HIS A1026 1.281 8.308 -6.685 1.00 0.00 N ATOM 1698 CA HIS A1026 1.054 7.411 -7.811 1.00 0.00 C ATOM 1699 C HIS A1026 1.858 6.126 -7.639 1.00 0.00 C ATOM 1700 O HIS A1026 1.313 5.032 -7.718 1.00 0.00 O ATOM 1701 CB HIS A1026 1.436 8.112 -9.128 1.00 0.00 C ATOM 1702 CG HIS A1026 1.314 7.256 -10.361 1.00 0.00 C ATOM 1703 ND1 HIS A1026 0.337 7.442 -11.315 1.00 0.00 N ATOM 1704 CD2 HIS A1026 2.074 6.225 -10.808 1.00 0.00 C ATOM 1705 CE1 HIS A1026 0.498 6.563 -12.286 1.00 0.00 C ATOM 1706 NE2 HIS A1026 1.546 5.816 -12.005 1.00 0.00 N ATOM 0 H HIS A1026 1.598 9.241 -6.950 1.00 0.00 H new ATOM 0 HA HIS A1026 -0.004 7.151 -7.845 1.00 0.00 H new ATOM 0 HB2 HIS A1026 0.805 8.992 -9.251 1.00 0.00 H new ATOM 0 HB3 HIS A1026 2.464 8.466 -9.049 1.00 0.00 H new ATOM 0 HD2 HIS A1026 2.936 5.804 -10.312 1.00 0.00 H new ATOM 0 HE1 HIS A1026 -0.125 6.471 -13.164 1.00 0.00 H new ATOM 0 HE2 HIS A1026 1.906 5.057 -12.584 1.00 0.00 H new ATOM 1715 N ALA A1027 3.150 6.275 -7.386 1.00 0.00 N ATOM 1716 CA ALA A1027 4.045 5.131 -7.278 1.00 0.00 C ATOM 1717 C ALA A1027 3.653 4.218 -6.122 1.00 0.00 C ATOM 1718 O ALA A1027 3.592 3.000 -6.283 1.00 0.00 O ATOM 1719 CB ALA A1027 5.478 5.603 -7.126 1.00 0.00 C ATOM 0 H ALA A1027 3.603 7.179 -7.251 1.00 0.00 H new ATOM 0 HA ALA A1027 3.959 4.549 -8.196 1.00 0.00 H new ATOM 0 HB1 ALA A1027 6.139 4.740 -7.046 1.00 0.00 H new ATOM 0 HB2 ALA A1027 5.760 6.196 -7.996 1.00 0.00 H new ATOM 0 HB3 ALA A1027 5.567 6.212 -6.227 1.00 0.00 H new ATOM 1725 N LEU A1028 3.366 4.807 -4.967 1.00 0.00 N ATOM 1726 CA LEU A1028 3.004 4.017 -3.797 1.00 0.00 C ATOM 1727 C LEU A1028 1.591 3.442 -3.932 1.00 0.00 C ATOM 1728 O LEU A1028 1.358 2.289 -3.594 1.00 0.00 O ATOM 1729 CB LEU A1028 3.152 4.816 -2.493 1.00 0.00 C ATOM 1730 CG LEU A1028 2.380 4.233 -1.306 1.00 0.00 C ATOM 1731 CD1 LEU A1028 3.053 2.976 -0.782 1.00 0.00 C ATOM 1732 CD2 LEU A1028 2.214 5.269 -0.216 1.00 0.00 C ATOM 0 H LEU A1028 3.376 5.816 -4.816 1.00 0.00 H new ATOM 0 HA LEU A1028 3.705 3.184 -3.746 1.00 0.00 H new ATOM 0 HB2 LEU A1028 4.209 4.871 -2.232 1.00 0.00 H new ATOM 0 HB3 LEU A1028 2.813 5.837 -2.666 1.00 0.00 H new ATOM 0 HG LEU A1028 1.385 3.950 -1.651 1.00 0.00 H new ATOM 0 HD11 LEU A1028 2.484 2.583 0.061 1.00 0.00 H new ATOM 0 HD12 LEU A1028 3.093 2.228 -1.574 1.00 0.00 H new ATOM 0 HD13 LEU A1028 4.066 3.214 -0.456 1.00 0.00 H new ATOM 0 HD21 LEU A1028 1.663 4.835 0.618 1.00 0.00 H new ATOM 0 HD22 LEU A1028 3.195 5.595 0.128 1.00 0.00 H new ATOM 0 HD23 LEU A1028 1.664 6.125 -0.608 1.00 0.00 H new ATOM 1744 N ALA A1029 0.649 4.245 -4.415 1.00 0.00 N ATOM 1745 CA ALA A1029 -0.717 3.769 -4.640 1.00 0.00 C ATOM 1746 C ALA A1029 -0.738 2.611 -5.629 1.00 0.00 C ATOM 1747 O ALA A1029 -1.494 1.654 -5.462 1.00 0.00 O ATOM 1748 CB ALA A1029 -1.612 4.895 -5.129 1.00 0.00 C ATOM 0 H ALA A1029 0.802 5.224 -4.658 1.00 0.00 H new ATOM 0 HA ALA A1029 -1.103 3.412 -3.685 1.00 0.00 H new ATOM 0 HB1 ALA A1029 -2.621 4.515 -5.288 1.00 0.00 H new ATOM 0 HB2 ALA A1029 -1.637 5.690 -4.383 1.00 0.00 H new ATOM 0 HB3 ALA A1029 -1.221 5.290 -6.067 1.00 0.00 H new ATOM 1754 N VAL A1030 0.093 2.697 -6.661 1.00 0.00 N ATOM 1755 CA VAL A1030 0.221 1.605 -7.609 1.00 0.00 C ATOM 1756 C VAL A1030 0.849 0.397 -6.940 1.00 0.00 C ATOM 1757 O VAL A1030 0.428 -0.726 -7.171 1.00 0.00 O ATOM 1758 CB VAL A1030 1.040 2.006 -8.864 1.00 0.00 C ATOM 1759 CG1 VAL A1030 1.370 0.789 -9.721 1.00 0.00 C ATOM 1760 CG2 VAL A1030 0.276 3.029 -9.692 1.00 0.00 C ATOM 0 H VAL A1030 0.682 3.506 -6.859 1.00 0.00 H new ATOM 0 HA VAL A1030 -0.785 1.352 -7.945 1.00 0.00 H new ATOM 0 HB VAL A1030 1.976 2.448 -8.522 1.00 0.00 H new ATOM 0 HG11 VAL A1030 1.944 1.103 -10.593 1.00 0.00 H new ATOM 0 HG12 VAL A1030 1.956 0.080 -9.136 1.00 0.00 H new ATOM 0 HG13 VAL A1030 0.446 0.313 -10.048 1.00 0.00 H new ATOM 0 HG21 VAL A1030 0.864 3.300 -10.569 1.00 0.00 H new ATOM 0 HG22 VAL A1030 -0.675 2.602 -10.011 1.00 0.00 H new ATOM 0 HG23 VAL A1030 0.091 3.919 -9.090 1.00 0.00 H new ATOM 1770 N ASP A1031 1.865 0.629 -6.127 1.00 0.00 N ATOM 1771 CA ASP A1031 2.479 -0.458 -5.375 1.00 0.00 C ATOM 1772 C ASP A1031 1.535 -1.066 -4.331 1.00 0.00 C ATOM 1773 O ASP A1031 1.607 -2.262 -4.053 1.00 0.00 O ATOM 1774 CB ASP A1031 3.764 -0.019 -4.719 1.00 0.00 C ATOM 1775 CG ASP A1031 4.510 -1.213 -4.190 1.00 0.00 C ATOM 1776 OD1 ASP A1031 4.591 -2.234 -4.911 1.00 0.00 O ATOM 1777 OD2 ASP A1031 5.014 -1.138 -3.071 1.00 0.00 O ATOM 0 H ASP A1031 2.280 1.547 -5.970 1.00 0.00 H new ATOM 0 HA ASP A1031 2.704 -1.236 -6.104 1.00 0.00 H new ATOM 0 HB2 ASP A1031 4.384 0.517 -5.438 1.00 0.00 H new ATOM 0 HB3 ASP A1031 3.548 0.674 -3.906 1.00 0.00 H new ATOM 1782 N ALA A1032 0.648 -0.263 -3.753 1.00 0.00 N ATOM 1783 CA ALA A1032 -0.447 -0.811 -2.969 1.00 0.00 C ATOM 1784 C ALA A1032 -1.204 -1.824 -3.824 1.00 0.00 C ATOM 1785 O ALA A1032 -1.523 -2.928 -3.387 1.00 0.00 O ATOM 1786 CB ALA A1032 -1.377 0.299 -2.505 1.00 0.00 C ATOM 0 H ALA A1032 0.666 0.755 -3.812 1.00 0.00 H new ATOM 0 HA ALA A1032 -0.051 -1.306 -2.082 1.00 0.00 H new ATOM 0 HB1 ALA A1032 -2.191 -0.129 -1.920 1.00 0.00 H new ATOM 0 HB2 ALA A1032 -0.821 1.006 -1.890 1.00 0.00 H new ATOM 0 HB3 ALA A1032 -1.787 0.816 -3.372 1.00 0.00 H new ATOM 1792 N LYS A1033 -1.461 -1.433 -5.067 1.00 0.00 N ATOM 1793 CA LYS A1033 -2.076 -2.322 -6.045 1.00 0.00 C ATOM 1794 C LYS A1033 -1.118 -3.430 -6.493 1.00 0.00 C ATOM 1795 O LYS A1033 -1.554 -4.490 -6.950 1.00 0.00 O ATOM 1796 CB LYS A1033 -2.583 -1.539 -7.256 1.00 0.00 C ATOM 1797 CG LYS A1033 -3.735 -0.600 -6.937 1.00 0.00 C ATOM 1798 CD LYS A1033 -4.453 -0.153 -8.199 1.00 0.00 C ATOM 1799 CE LYS A1033 -5.018 -1.342 -8.958 1.00 0.00 C ATOM 1800 NZ LYS A1033 -5.818 -0.930 -10.140 1.00 0.00 N ATOM 0 H LYS A1033 -1.251 -0.500 -5.423 1.00 0.00 H new ATOM 0 HA LYS A1033 -2.926 -2.796 -5.554 1.00 0.00 H new ATOM 0 HB2 LYS A1033 -1.759 -0.960 -7.674 1.00 0.00 H new ATOM 0 HB3 LYS A1033 -2.901 -2.243 -8.025 1.00 0.00 H new ATOM 0 HG2 LYS A1033 -4.440 -1.100 -6.273 1.00 0.00 H new ATOM 0 HG3 LYS A1033 -3.358 0.272 -6.403 1.00 0.00 H new ATOM 0 HD2 LYS A1033 -5.259 0.533 -7.939 1.00 0.00 H new ATOM 0 HD3 LYS A1033 -3.762 0.396 -8.839 1.00 0.00 H new ATOM 0 HE2 LYS A1033 -4.200 -1.985 -9.282 1.00 0.00 H new ATOM 0 HE3 LYS A1033 -5.642 -1.934 -8.288 1.00 0.00 H new ATOM 0 HZ1 LYS A1033 -6.182 -1.775 -10.625 1.00 0.00 H new ATOM 0 HZ2 LYS A1033 -6.615 -0.338 -9.830 1.00 0.00 H new ATOM 0 HZ3 LYS A1033 -5.218 -0.388 -10.794 1.00 0.00 H new ATOM 1814 N ASN A1034 0.180 -3.197 -6.354 1.00 0.00 N ATOM 1815 CA ASN A1034 1.174 -4.188 -6.719 1.00 0.00 C ATOM 1816 C ASN A1034 1.194 -5.300 -5.682 1.00 0.00 C ATOM 1817 O ASN A1034 1.190 -6.478 -6.024 1.00 0.00 O ATOM 1818 CB ASN A1034 2.547 -3.530 -6.830 1.00 0.00 C ATOM 1819 CG ASN A1034 3.640 -4.489 -7.252 1.00 0.00 C ATOM 1820 OD1 ASN A1034 3.409 -5.430 -8.012 1.00 0.00 O ATOM 1821 ND2 ASN A1034 4.840 -4.254 -6.758 1.00 0.00 N ATOM 0 H ASN A1034 0.567 -2.326 -5.990 1.00 0.00 H new ATOM 0 HA ASN A1034 0.919 -4.619 -7.687 1.00 0.00 H new ATOM 0 HB2 ASN A1034 2.493 -2.713 -7.549 1.00 0.00 H new ATOM 0 HB3 ASN A1034 2.810 -3.091 -5.868 1.00 0.00 H new ATOM 0 HD21 ASN A1034 5.621 -4.863 -7.003 1.00 0.00 H new ATOM 0 HD22 ASN A1034 4.988 -3.463 -6.131 1.00 0.00 H new ATOM 1828 N LEU A1035 1.149 -4.921 -4.410 1.00 0.00 N ATOM 1829 CA LEU A1035 1.175 -5.902 -3.338 1.00 0.00 C ATOM 1830 C LEU A1035 -0.212 -6.512 -3.150 1.00 0.00 C ATOM 1831 O LEU A1035 -0.335 -7.599 -2.612 1.00 0.00 O ATOM 1832 CB LEU A1035 1.656 -5.309 -2.008 1.00 0.00 C ATOM 1833 CG LEU A1035 1.806 -6.342 -0.891 1.00 0.00 C ATOM 1834 CD1 LEU A1035 3.246 -6.812 -0.776 1.00 0.00 C ATOM 1835 CD2 LEU A1035 1.314 -5.791 0.427 1.00 0.00 C ATOM 0 H LEU A1035 1.095 -3.951 -4.100 1.00 0.00 H new ATOM 0 HA LEU A1035 1.888 -6.672 -3.632 1.00 0.00 H new ATOM 0 HB2 LEU A1035 2.615 -4.817 -2.166 1.00 0.00 H new ATOM 0 HB3 LEU A1035 0.952 -4.541 -1.688 1.00 0.00 H new ATOM 0 HG LEU A1035 1.189 -7.203 -1.147 1.00 0.00 H new ATOM 0 HD11 LEU A1035 3.326 -7.546 0.026 1.00 0.00 H new ATOM 0 HD12 LEU A1035 3.557 -7.266 -1.717 1.00 0.00 H new ATOM 0 HD13 LEU A1035 3.890 -5.961 -0.554 1.00 0.00 H new ATOM 0 HD21 LEU A1035 1.432 -6.546 1.204 1.00 0.00 H new ATOM 0 HD22 LEU A1035 1.893 -4.906 0.690 1.00 0.00 H new ATOM 0 HD23 LEU A1035 0.261 -5.523 0.339 1.00 0.00 H new ATOM 1847 N LEU A1036 -1.266 -5.826 -3.599 1.00 0.00 N ATOM 1848 CA LEU A1036 -2.607 -6.396 -3.499 1.00 0.00 C ATOM 1849 C LEU A1036 -2.722 -7.510 -4.503 1.00 0.00 C ATOM 1850 O LEU A1036 -3.550 -8.387 -4.379 1.00 0.00 O ATOM 1851 CB LEU A1036 -3.742 -5.348 -3.659 1.00 0.00 C ATOM 1852 CG LEU A1036 -4.007 -4.741 -5.046 1.00 0.00 C ATOM 1853 CD1 LEU A1036 -4.694 -5.728 -5.981 1.00 0.00 C ATOM 1854 CD2 LEU A1036 -4.872 -3.500 -4.898 1.00 0.00 C ATOM 0 H LEU A1036 -1.219 -4.900 -4.024 1.00 0.00 H new ATOM 0 HA LEU A1036 -2.740 -6.786 -2.490 1.00 0.00 H new ATOM 0 HB2 LEU A1036 -4.668 -5.812 -3.321 1.00 0.00 H new ATOM 0 HB3 LEU A1036 -3.529 -4.526 -2.975 1.00 0.00 H new ATOM 0 HG LEU A1036 -3.043 -4.484 -5.485 1.00 0.00 H new ATOM 0 HD11 LEU A1036 -4.861 -5.256 -6.949 1.00 0.00 H new ATOM 0 HD12 LEU A1036 -4.062 -6.607 -6.110 1.00 0.00 H new ATOM 0 HD13 LEU A1036 -5.651 -6.028 -5.554 1.00 0.00 H new ATOM 0 HD21 LEU A1036 -5.061 -3.069 -5.881 1.00 0.00 H new ATOM 0 HD22 LEU A1036 -5.820 -3.770 -4.433 1.00 0.00 H new ATOM 0 HD23 LEU A1036 -4.357 -2.770 -4.274 1.00 0.00 H new ATOM 1866 N ASP A1037 -1.871 -7.443 -5.499 1.00 0.00 N ATOM 1867 CA ASP A1037 -1.671 -8.542 -6.427 1.00 0.00 C ATOM 1868 C ASP A1037 -0.733 -9.548 -5.787 1.00 0.00 C ATOM 1869 O ASP A1037 -1.023 -10.731 -5.740 1.00 0.00 O ATOM 1870 CB ASP A1037 -1.089 -8.035 -7.750 1.00 0.00 C ATOM 1871 CG ASP A1037 -0.747 -9.157 -8.714 1.00 0.00 C ATOM 1872 OD1 ASP A1037 -1.671 -9.870 -9.156 1.00 0.00 O ATOM 1873 OD2 ASP A1037 0.444 -9.310 -9.061 1.00 0.00 O ATOM 0 H ASP A1037 -1.294 -6.625 -5.693 1.00 0.00 H new ATOM 0 HA ASP A1037 -2.628 -9.014 -6.646 1.00 0.00 H new ATOM 0 HB2 ASP A1037 -1.805 -7.363 -8.222 1.00 0.00 H new ATOM 0 HB3 ASP A1037 -0.191 -7.452 -7.546 1.00 0.00 H new ATOM 1878 N VAL A1038 0.368 -9.037 -5.248 1.00 0.00 N ATOM 1879 CA VAL A1038 1.361 -9.838 -4.530 1.00 0.00 C ATOM 1880 C VAL A1038 0.727 -10.767 -3.505 1.00 0.00 C ATOM 1881 O VAL A1038 0.847 -11.983 -3.579 1.00 0.00 O ATOM 1882 CB VAL A1038 2.332 -8.906 -3.765 1.00 0.00 C ATOM 1883 CG1 VAL A1038 3.099 -9.647 -2.681 1.00 0.00 C ATOM 1884 CG2 VAL A1038 3.288 -8.218 -4.722 1.00 0.00 C ATOM 0 H VAL A1038 0.602 -8.045 -5.296 1.00 0.00 H new ATOM 0 HA VAL A1038 1.879 -10.435 -5.280 1.00 0.00 H new ATOM 0 HB VAL A1038 1.726 -8.146 -3.273 1.00 0.00 H new ATOM 0 HG11 VAL A1038 3.768 -8.954 -2.170 1.00 0.00 H new ATOM 0 HG12 VAL A1038 2.397 -10.069 -1.962 1.00 0.00 H new ATOM 0 HG13 VAL A1038 3.683 -10.449 -3.132 1.00 0.00 H new ATOM 0 HG21 VAL A1038 3.960 -7.569 -4.161 1.00 0.00 H new ATOM 0 HG22 VAL A1038 3.871 -8.968 -5.256 1.00 0.00 H new ATOM 0 HG23 VAL A1038 2.721 -7.622 -5.437 1.00 0.00 H new ATOM 1894 N ILE A1039 0.067 -10.152 -2.553 1.00 0.00 N ATOM 1895 CA ILE A1039 -0.389 -10.810 -1.355 1.00 0.00 C ATOM 1896 C ILE A1039 -1.795 -11.399 -1.521 1.00 0.00 C ATOM 1897 O ILE A1039 -2.163 -12.340 -0.821 1.00 0.00 O ATOM 1898 CB ILE A1039 -0.311 -9.831 -0.171 1.00 0.00 C ATOM 1899 CG1 ILE A1039 -0.230 -10.568 1.146 1.00 0.00 C ATOM 1900 CG2 ILE A1039 -1.483 -8.882 -0.147 1.00 0.00 C ATOM 1901 CD1 ILE A1039 -0.100 -9.631 2.317 1.00 0.00 C ATOM 0 H ILE A1039 -0.172 -9.161 -2.591 1.00 0.00 H new ATOM 0 HA ILE A1039 0.267 -11.656 -1.152 1.00 0.00 H new ATOM 0 HB ILE A1039 0.600 -9.249 -0.309 1.00 0.00 H new ATOM 0 HG12 ILE A1039 -1.122 -11.182 1.272 1.00 0.00 H new ATOM 0 HG13 ILE A1039 0.624 -11.246 1.129 1.00 0.00 H new ATOM 0 HG21 ILE A1039 -1.388 -8.208 0.705 1.00 0.00 H new ATOM 0 HG22 ILE A1039 -1.500 -8.301 -1.069 1.00 0.00 H new ATOM 0 HG23 ILE A1039 -2.409 -9.450 -0.059 1.00 0.00 H new ATOM 0 HD11 ILE A1039 -0.045 -10.208 3.240 1.00 0.00 H new ATOM 0 HD12 ILE A1039 0.806 -9.035 2.207 1.00 0.00 H new ATOM 0 HD13 ILE A1039 -0.966 -8.971 2.352 1.00 0.00 H new ATOM 1913 N ASP A1040 -2.597 -10.846 -2.424 1.00 0.00 N ATOM 1914 CA ASP A1040 -3.765 -11.598 -2.892 1.00 0.00 C ATOM 1915 C ASP A1040 -3.293 -12.853 -3.604 1.00 0.00 C ATOM 1916 O ASP A1040 -3.924 -13.898 -3.541 1.00 0.00 O ATOM 1917 CB ASP A1040 -4.665 -10.794 -3.822 1.00 0.00 C ATOM 1918 CG ASP A1040 -5.777 -11.631 -4.424 1.00 0.00 C ATOM 1919 OD1 ASP A1040 -6.542 -12.251 -3.660 1.00 0.00 O ATOM 1920 OD2 ASP A1040 -5.902 -11.661 -5.669 1.00 0.00 O ATOM 0 H ASP A1040 -2.473 -9.921 -2.835 1.00 0.00 H new ATOM 0 HA ASP A1040 -4.362 -11.845 -2.014 1.00 0.00 H new ATOM 0 HB2 ASP A1040 -5.100 -9.961 -3.270 1.00 0.00 H new ATOM 0 HB3 ASP A1040 -4.063 -10.365 -4.623 1.00 0.00 H new ATOM 1925 N GLN A1041 -2.160 -12.771 -4.270 1.00 0.00 N ATOM 1926 CA GLN A1041 -1.581 -13.977 -4.802 1.00 0.00 C ATOM 1927 C GLN A1041 -0.929 -14.745 -3.686 1.00 0.00 C ATOM 1928 O GLN A1041 -0.802 -15.936 -3.790 1.00 0.00 O ATOM 1929 CB GLN A1041 -0.567 -13.747 -5.917 1.00 0.00 C ATOM 1930 CG GLN A1041 -1.160 -13.205 -7.207 1.00 0.00 C ATOM 1931 CD GLN A1041 -0.214 -13.366 -8.376 1.00 0.00 C ATOM 1932 OE1 GLN A1041 0.527 -14.346 -8.454 1.00 0.00 O ATOM 1933 NE2 GLN A1041 -0.213 -12.404 -9.281 1.00 0.00 N ATOM 0 H GLN A1041 -1.640 -11.912 -4.450 1.00 0.00 H new ATOM 0 HA GLN A1041 -2.401 -14.539 -5.250 1.00 0.00 H new ATOM 0 HB2 GLN A1041 0.193 -13.052 -5.561 1.00 0.00 H new ATOM 0 HB3 GLN A1041 -0.062 -14.689 -6.132 1.00 0.00 H new ATOM 0 HG2 GLN A1041 -2.094 -13.723 -7.423 1.00 0.00 H new ATOM 0 HG3 GLN A1041 -1.403 -12.150 -7.079 1.00 0.00 H new ATOM 0 HE21 GLN A1041 -0.843 -11.608 -9.180 1.00 0.00 H new ATOM 0 HE22 GLN A1041 0.418 -12.457 -10.081 1.00 0.00 H new ATOM 1942 N ALA A1042 -0.491 -14.060 -2.630 1.00 0.00 N ATOM 1943 CA ALA A1042 -0.023 -14.744 -1.437 1.00 0.00 C ATOM 1944 C ALA A1042 -1.090 -15.698 -0.913 1.00 0.00 C ATOM 1945 O ALA A1042 -0.810 -16.866 -0.655 1.00 0.00 O ATOM 1946 CB ALA A1042 0.371 -13.766 -0.346 1.00 0.00 C ATOM 0 H ALA A1042 -0.453 -13.042 -2.581 1.00 0.00 H new ATOM 0 HA ALA A1042 0.863 -15.313 -1.718 1.00 0.00 H new ATOM 0 HB1 ALA A1042 0.715 -14.317 0.529 1.00 0.00 H new ATOM 0 HB2 ALA A1042 1.172 -13.121 -0.707 1.00 0.00 H new ATOM 0 HB3 ALA A1042 -0.491 -13.156 -0.075 1.00 0.00 H new ATOM 1952 N ARG A1043 -2.312 -15.198 -0.757 1.00 0.00 N ATOM 1953 CA ARG A1043 -3.408 -16.037 -0.289 1.00 0.00 C ATOM 1954 C ARG A1043 -3.539 -17.299 -1.157 1.00 0.00 C ATOM 1955 O ARG A1043 -3.735 -18.402 -0.642 1.00 0.00 O ATOM 1956 CB ARG A1043 -4.732 -15.226 -0.166 1.00 0.00 C ATOM 1957 CG ARG A1043 -5.467 -14.835 -1.453 1.00 0.00 C ATOM 1958 CD ARG A1043 -6.174 -16.022 -2.075 1.00 0.00 C ATOM 1959 NE ARG A1043 -7.213 -15.682 -3.053 1.00 0.00 N ATOM 1960 CZ ARG A1043 -7.002 -15.536 -4.364 1.00 0.00 C ATOM 1961 NH1 ARG A1043 -5.782 -15.342 -4.835 1.00 0.00 N ATOM 1962 NH2 ARG A1043 -8.030 -15.515 -5.199 1.00 0.00 N ATOM 0 H ARG A1043 -2.566 -14.228 -0.945 1.00 0.00 H new ATOM 0 HA ARG A1043 -3.179 -16.381 0.719 1.00 0.00 H new ATOM 0 HB2 ARG A1043 -5.421 -15.806 0.447 1.00 0.00 H new ATOM 0 HB3 ARG A1043 -4.511 -14.310 0.382 1.00 0.00 H new ATOM 0 HG2 ARG A1043 -6.193 -14.052 -1.234 1.00 0.00 H new ATOM 0 HG3 ARG A1043 -4.756 -14.420 -2.167 1.00 0.00 H new ATOM 0 HD2 ARG A1043 -5.431 -16.654 -2.562 1.00 0.00 H new ATOM 0 HD3 ARG A1043 -6.625 -16.615 -1.279 1.00 0.00 H new ATOM 0 HE ARG A1043 -8.163 -15.548 -2.708 1.00 0.00 H new ATOM 0 HH11 ARG A1043 -4.989 -15.302 -4.195 1.00 0.00 H new ATOM 0 HH12 ARG A1043 -5.634 -15.232 -5.838 1.00 0.00 H new ATOM 0 HH21 ARG A1043 -8.980 -15.610 -4.841 1.00 0.00 H new ATOM 0 HH22 ARG A1043 -7.871 -15.404 -6.200 1.00 0.00 H new ATOM 1976 N LEU A1044 -3.397 -17.150 -2.469 1.00 0.00 N ATOM 1977 CA LEU A1044 -3.423 -18.310 -3.362 1.00 0.00 C ATOM 1978 C LEU A1044 -2.073 -19.041 -3.370 1.00 0.00 C ATOM 1979 O LEU A1044 -2.021 -20.241 -3.580 1.00 0.00 O ATOM 1980 CB LEU A1044 -3.817 -17.898 -4.779 1.00 0.00 C ATOM 1981 CG LEU A1044 -4.093 -19.058 -5.740 1.00 0.00 C ATOM 1982 CD1 LEU A1044 -5.281 -19.877 -5.256 1.00 0.00 C ATOM 1983 CD2 LEU A1044 -4.345 -18.537 -7.147 1.00 0.00 C ATOM 0 H LEU A1044 -3.264 -16.253 -2.936 1.00 0.00 H new ATOM 0 HA LEU A1044 -4.176 -19.000 -2.981 1.00 0.00 H new ATOM 0 HB2 LEU A1044 -4.708 -17.272 -4.724 1.00 0.00 H new ATOM 0 HB3 LEU A1044 -3.020 -17.282 -5.197 1.00 0.00 H new ATOM 0 HG LEU A1044 -3.214 -19.702 -5.764 1.00 0.00 H new ATOM 0 HD11 LEU A1044 -5.464 -20.697 -5.950 1.00 0.00 H new ATOM 0 HD12 LEU A1044 -5.066 -20.280 -4.266 1.00 0.00 H new ATOM 0 HD13 LEU A1044 -6.165 -19.241 -5.205 1.00 0.00 H new ATOM 0 HD21 LEU A1044 -4.539 -19.375 -7.816 1.00 0.00 H new ATOM 0 HD22 LEU A1044 -5.208 -17.871 -7.139 1.00 0.00 H new ATOM 0 HD23 LEU A1044 -3.468 -17.991 -7.495 1.00 0.00 H new ATOM 1995 N LYS A1045 -0.995 -18.296 -3.147 1.00 0.00 N ATOM 1996 CA LYS A1045 0.364 -18.838 -3.040 1.00 0.00 C ATOM 1997 C LYS A1045 0.414 -19.918 -1.977 1.00 0.00 C ATOM 1998 O LYS A1045 0.977 -20.994 -2.176 1.00 0.00 O ATOM 1999 CB LYS A1045 1.337 -17.718 -2.645 1.00 0.00 C ATOM 2000 CG LYS A1045 2.423 -17.397 -3.658 1.00 0.00 C ATOM 2001 CD LYS A1045 1.890 -16.784 -4.942 1.00 0.00 C ATOM 2002 CE LYS A1045 2.938 -15.877 -5.568 1.00 0.00 C ATOM 2003 NZ LYS A1045 2.544 -15.372 -6.909 1.00 0.00 N ATOM 0 H LYS A1045 -1.037 -17.283 -3.033 1.00 0.00 H new ATOM 0 HA LYS A1045 0.647 -19.259 -4.005 1.00 0.00 H new ATOM 0 HB2 LYS A1045 0.761 -16.811 -2.458 1.00 0.00 H new ATOM 0 HB3 LYS A1045 1.814 -17.992 -1.704 1.00 0.00 H new ATOM 0 HG2 LYS A1045 3.139 -16.710 -3.206 1.00 0.00 H new ATOM 0 HG3 LYS A1045 2.966 -18.311 -3.899 1.00 0.00 H new ATOM 0 HD2 LYS A1045 1.616 -17.572 -5.643 1.00 0.00 H new ATOM 0 HD3 LYS A1045 0.984 -16.215 -4.733 1.00 0.00 H new ATOM 0 HE2 LYS A1045 3.119 -15.030 -4.906 1.00 0.00 H new ATOM 0 HE3 LYS A1045 3.878 -16.422 -5.653 1.00 0.00 H new ATOM 0 HZ1 LYS A1045 2.957 -14.430 -7.060 1.00 0.00 H new ATOM 0 HZ2 LYS A1045 2.891 -16.024 -7.641 1.00 0.00 H new ATOM 0 HZ3 LYS A1045 1.507 -15.308 -6.965 1.00 0.00 H new ATOM 2017 N MET A1046 -0.181 -19.607 -0.842 1.00 0.00 N ATOM 2018 CA MET A1046 -0.252 -20.541 0.271 1.00 0.00 C ATOM 2019 C MET A1046 -1.038 -21.777 -0.145 1.00 0.00 C ATOM 2020 O MET A1046 -0.627 -22.912 0.108 1.00 0.00 O ATOM 2021 CB MET A1046 -0.916 -19.860 1.464 1.00 0.00 C ATOM 2022 CG MET A1046 -0.846 -20.657 2.754 1.00 0.00 C ATOM 2023 SD MET A1046 -1.551 -19.751 4.144 1.00 0.00 S ATOM 2024 CE MET A1046 -1.137 -20.836 5.506 1.00 0.00 C ATOM 0 H MET A1046 -0.627 -18.707 -0.663 1.00 0.00 H new ATOM 0 HA MET A1046 0.754 -20.849 0.557 1.00 0.00 H new ATOM 0 HB2 MET A1046 -0.444 -18.890 1.623 1.00 0.00 H new ATOM 0 HB3 MET A1046 -1.962 -19.670 1.224 1.00 0.00 H new ATOM 0 HG2 MET A1046 -1.379 -21.600 2.628 1.00 0.00 H new ATOM 0 HG3 MET A1046 0.193 -20.905 2.972 1.00 0.00 H new ATOM 0 HE1 MET A1046 -1.509 -20.409 6.437 1.00 0.00 H new ATOM 0 HE2 MET A1046 -1.595 -21.812 5.346 1.00 0.00 H new ATOM 0 HE3 MET A1046 -0.054 -20.949 5.565 1.00 0.00 H new ATOM 2034 N ILE A1047 -2.161 -21.540 -0.809 1.00 0.00 N ATOM 2035 CA ILE A1047 -2.983 -22.609 -1.347 1.00 0.00 C ATOM 2036 C ILE A1047 -2.277 -23.339 -2.499 1.00 0.00 C ATOM 2037 O ILE A1047 -2.584 -24.484 -2.795 1.00 0.00 O ATOM 2038 CB ILE A1047 -4.365 -22.051 -1.787 1.00 0.00 C ATOM 2039 CG1 ILE A1047 -5.316 -22.039 -0.589 1.00 0.00 C ATOM 2040 CG2 ILE A1047 -4.973 -22.845 -2.937 1.00 0.00 C ATOM 2041 CD1 ILE A1047 -4.851 -21.178 0.566 1.00 0.00 C ATOM 0 H ILE A1047 -2.525 -20.604 -0.988 1.00 0.00 H new ATOM 0 HA ILE A1047 -3.145 -23.345 -0.560 1.00 0.00 H new ATOM 0 HB ILE A1047 -4.212 -21.035 -2.150 1.00 0.00 H new ATOM 0 HG12 ILE A1047 -6.293 -21.687 -0.919 1.00 0.00 H new ATOM 0 HG13 ILE A1047 -5.449 -23.061 -0.235 1.00 0.00 H new ATOM 0 HG21 ILE A1047 -5.938 -22.415 -3.206 1.00 0.00 H new ATOM 0 HG22 ILE A1047 -4.306 -22.807 -3.798 1.00 0.00 H new ATOM 0 HG23 ILE A1047 -5.111 -23.882 -2.630 1.00 0.00 H new ATOM 0 HD11 ILE A1047 -5.582 -21.226 1.373 1.00 0.00 H new ATOM 0 HD12 ILE A1047 -3.889 -21.542 0.926 1.00 0.00 H new ATOM 0 HD13 ILE A1047 -4.747 -20.146 0.231 1.00 0.00 H new ATOM 2053 N SER A1048 -1.309 -22.684 -3.118 1.00 0.00 N ATOM 2054 CA SER A1048 -0.557 -23.272 -4.220 1.00 0.00 C ATOM 2055 C SER A1048 0.285 -24.447 -3.724 1.00 0.00 C ATOM 2056 O SER A1048 0.430 -25.457 -4.416 1.00 0.00 O ATOM 2057 CB SER A1048 0.333 -22.208 -4.877 1.00 0.00 C ATOM 2058 OG SER A1048 1.010 -22.718 -6.014 1.00 0.00 O ATOM 0 H SER A1048 -1.022 -21.736 -2.875 1.00 0.00 H new ATOM 0 HA SER A1048 -1.259 -23.646 -4.965 1.00 0.00 H new ATOM 0 HB2 SER A1048 -0.277 -21.354 -5.170 1.00 0.00 H new ATOM 0 HB3 SER A1048 1.062 -21.845 -4.152 1.00 0.00 H new ATOM 0 HG SER A1048 1.566 -22.013 -6.407 1.00 0.00 H new ATOM 2064 N GLN A1049 0.824 -24.317 -2.514 1.00 0.00 N ATOM 2065 CA GLN A1049 1.645 -25.371 -1.929 1.00 0.00 C ATOM 2066 C GLN A1049 0.781 -26.514 -1.396 1.00 0.00 C ATOM 2067 O GLN A1049 1.174 -27.681 -1.451 1.00 0.00 O ATOM 2068 CB GLN A1049 2.516 -24.807 -0.801 1.00 0.00 C ATOM 2069 CG GLN A1049 3.397 -25.856 -0.142 1.00 0.00 C ATOM 2070 CD GLN A1049 4.245 -25.295 0.979 1.00 0.00 C ATOM 2071 OE1 GLN A1049 5.372 -24.850 0.758 1.00 0.00 O ATOM 2072 NE2 GLN A1049 3.716 -25.323 2.189 1.00 0.00 N ATOM 0 H GLN A1049 0.707 -23.495 -1.922 1.00 0.00 H new ATOM 0 HA GLN A1049 2.289 -25.765 -2.715 1.00 0.00 H new ATOM 0 HB2 GLN A1049 3.146 -24.012 -1.200 1.00 0.00 H new ATOM 0 HB3 GLN A1049 1.873 -24.355 -0.046 1.00 0.00 H new ATOM 0 HG2 GLN A1049 2.769 -26.656 0.250 1.00 0.00 H new ATOM 0 HG3 GLN A1049 4.048 -26.301 -0.895 1.00 0.00 H new ATOM 0 HE21 GLN A1049 2.779 -25.701 2.327 1.00 0.00 H new ATOM 0 HE22 GLN A1049 4.245 -24.967 2.985 1.00 0.00 H new ATOM 2081 N SER A1050 -0.390 -26.172 -0.878 1.00 0.00 N ATOM 2082 CA SER A1050 -1.280 -27.165 -0.292 1.00 0.00 C ATOM 2083 C SER A1050 -2.215 -27.758 -1.344 1.00 0.00 C ATOM 2084 O SER A1050 -2.774 -28.837 -1.145 1.00 0.00 O ATOM 2085 CB SER A1050 -2.093 -26.533 0.842 1.00 0.00 C ATOM 2086 OG SER A1050 -2.900 -27.499 1.495 1.00 0.00 O ATOM 0 H SER A1050 -0.746 -25.216 -0.851 1.00 0.00 H new ATOM 0 HA SER A1050 -0.670 -27.974 0.110 1.00 0.00 H new ATOM 0 HB2 SER A1050 -1.418 -26.072 1.563 1.00 0.00 H new ATOM 0 HB3 SER A1050 -2.724 -25.739 0.442 1.00 0.00 H new ATOM 0 HG SER A1050 -3.407 -27.069 2.215 1.00 0.00 H new ATOM 2092 N ARG A1051 -2.371 -27.036 -2.454 1.00 0.00 N ATOM 2093 CA ARG A1051 -3.268 -27.417 -3.549 1.00 0.00 C ATOM 2094 C ARG A1051 -4.738 -27.325 -3.141 1.00 0.00 C ATOM 2095 O ARG A1051 -5.079 -27.416 -1.964 1.00 0.00 O ATOM 2096 CB ARG A1051 -2.972 -28.833 -4.055 1.00 0.00 C ATOM 2097 CG ARG A1051 -1.647 -28.970 -4.781 1.00 0.00 C ATOM 2098 CD ARG A1051 -1.502 -30.355 -5.386 1.00 0.00 C ATOM 2099 NE ARG A1051 -2.627 -30.685 -6.262 1.00 0.00 N ATOM 2100 CZ ARG A1051 -2.554 -31.524 -7.293 1.00 0.00 C ATOM 2101 NH1 ARG A1051 -1.414 -32.138 -7.583 1.00 0.00 N ATOM 2102 NH2 ARG A1051 -3.635 -31.761 -8.023 1.00 0.00 N ATOM 0 H ARG A1051 -1.874 -26.161 -2.621 1.00 0.00 H new ATOM 0 HA ARG A1051 -3.083 -26.706 -4.354 1.00 0.00 H new ATOM 0 HB2 ARG A1051 -2.982 -29.519 -3.208 1.00 0.00 H new ATOM 0 HB3 ARG A1051 -3.774 -29.142 -4.725 1.00 0.00 H new ATOM 0 HG2 ARG A1051 -1.578 -28.217 -5.566 1.00 0.00 H new ATOM 0 HG3 ARG A1051 -0.827 -28.784 -4.088 1.00 0.00 H new ATOM 0 HD2 ARG A1051 -0.572 -30.409 -5.952 1.00 0.00 H new ATOM 0 HD3 ARG A1051 -1.433 -31.095 -4.588 1.00 0.00 H new ATOM 0 HE ARG A1051 -3.526 -30.243 -6.070 1.00 0.00 H new ATOM 0 HH11 ARG A1051 -0.585 -31.969 -7.014 1.00 0.00 H new ATOM 0 HH12 ARG A1051 -1.367 -32.779 -8.375 1.00 0.00 H new ATOM 0 HH21 ARG A1051 -4.516 -31.301 -7.793 1.00 0.00 H new ATOM 0 HH22 ARG A1051 -3.585 -32.403 -8.814 1.00 0.00 H new ATOM 2116 N PRO A1052 -5.631 -27.096 -4.113 1.00 0.00 N ATOM 2117 CA PRO A1052 -7.059 -27.287 -3.902 1.00 0.00 C ATOM 2118 C PRO A1052 -7.380 -28.779 -3.841 1.00 0.00 C ATOM 2119 O PRO A1052 -7.836 -29.287 -2.814 1.00 0.00 O ATOM 2120 CB PRO A1052 -7.706 -26.625 -5.122 1.00 0.00 C ATOM 2121 CG PRO A1052 -6.647 -26.613 -6.175 1.00 0.00 C ATOM 2122 CD PRO A1052 -5.319 -26.598 -5.466 1.00 0.00 C ATOM 0 HA PRO A1052 -7.420 -26.858 -2.967 1.00 0.00 H new ATOM 0 HB2 PRO A1052 -8.583 -27.182 -5.453 1.00 0.00 H new ATOM 0 HB3 PRO A1052 -8.040 -25.614 -4.889 1.00 0.00 H new ATOM 0 HG2 PRO A1052 -6.731 -27.490 -6.816 1.00 0.00 H new ATOM 0 HG3 PRO A1052 -6.751 -25.738 -6.816 1.00 0.00 H new ATOM 0 HD2 PRO A1052 -4.591 -27.236 -5.968 1.00 0.00 H new ATOM 0 HD3 PRO A1052 -4.895 -25.594 -5.434 1.00 0.00 H new ATOM 2130 N HIS A1053 -7.117 -29.459 -4.955 1.00 0.00 N ATOM 2131 CA HIS A1053 -7.153 -30.916 -5.044 1.00 0.00 C ATOM 2132 C HIS A1053 -6.826 -31.328 -6.476 1.00 0.00 C ATOM 2133 O HIS A1053 -7.527 -32.189 -7.039 1.00 0.00 O ATOM 2134 CB HIS A1053 -8.502 -31.514 -4.591 1.00 0.00 C ATOM 2135 CG HIS A1053 -9.707 -31.045 -5.352 1.00 0.00 C ATOM 2136 ND1 HIS A1053 -10.343 -31.815 -6.298 1.00 0.00 N ATOM 2137 CD2 HIS A1053 -10.412 -29.895 -5.272 1.00 0.00 C ATOM 2138 CE1 HIS A1053 -11.388 -31.162 -6.763 1.00 0.00 C ATOM 2139 NE2 HIS A1053 -11.455 -29.993 -6.156 1.00 0.00 N ATOM 2140 OXT HIS A1053 -5.881 -30.743 -7.047 1.00 0.00 O ATOM 0 H HIS A1053 -6.869 -29.006 -5.834 1.00 0.00 H new ATOM 0 HA HIS A1053 -6.407 -31.316 -4.357 1.00 0.00 H new ATOM 0 HB2 HIS A1053 -8.443 -32.599 -4.672 1.00 0.00 H new ATOM 0 HB3 HIS A1053 -8.647 -31.280 -3.536 1.00 0.00 H new ATOM 0 HD2 HIS A1053 -10.194 -29.054 -4.630 1.00 0.00 H new ATOM 0 HE1 HIS A1053 -12.074 -31.523 -7.515 1.00 0.00 H new ATOM 0 HE2 HIS A1053 -12.166 -29.279 -6.318 1.00 0.00 H new TER 2149 HIS A1053