USER MOD reduce.3.24.130724 H: found=0, std=0, add=1025, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 1027 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: A 939 MET CE :methyl 174:sc=-0.00293 (180deg=-0.0917) USER MOD Set 1.2: A 954 MET CE :methyl 154:sc= -1.27 (180deg=-1.93) USER MOD Set 1.3: A1001 LYS NZ :NH3+ -131:sc= -1.04 (180deg=-6.02!) USER MOD Set 2.1: A 928 ASN : amide:sc= -0.926! C(o=-3.7!,f=-4.2!) USER MOD Set 2.2: A 968 THR OG1 : rot 21:sc= -2.77! USER MOD Single : A 921 SER OG : rot 180:sc= 0 USER MOD Single : A 922 ASN : amide:sc= 1.11 K(o=1.1,f=-0.27) USER MOD Single : A 924 LYS NZ :NH3+ -153:sc= 1.19 (180deg=1.04) USER MOD Single : A 926 TYR OH : rot 180:sc= 0 USER MOD Single : A 930 THR OG1 : rot 84:sc= 1.24 USER MOD Single : A 934 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 940 SER OG : rot 67:sc= 0.467 USER MOD Single : A 941 SER OG : rot 70:sc= 0.19 USER MOD Single : A 942 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.111) USER MOD Single : A 944 GLN : amide:sc= -0.731 X(o=-0.73,f=-0.56) USER MOD Single : A 951 TYR OH : rot 180:sc= 0 USER MOD Single : A 956 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 964 THR OG1 : rot 78:sc= 1.24 USER MOD Single : A 972 SER OG : rot -108:sc= -3.76! USER MOD Single : A 979 SER OG : rot 20:sc= 1.1 USER MOD Single : A 980 THR OG1 : rot 78:sc= -1.16! USER MOD Single : A 981 HIS : no HD1:sc= -0.0481 K(o=-0.048,f=-2.1!) USER MOD Single : A 986 MET CE :methyl 138:sc= -0.0968 (180deg=-0.484) USER MOD Single : A 988 GLN :FLIP amide:sc= 0 F(o=-0.94,f=0) USER MOD Single : A 989 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0129) USER MOD Single : A 992 ASN : amide:sc= -0.075 X(o=-0.075,f=0) USER MOD Single : A 993 SER OG : rot 71:sc= 0.00586 USER MOD Single : A1000 ASN : amide:sc= 0.0993 K(o=0.099,f=-0.85) USER MOD Single : A1002 MET CE :methyl 163:sc= -1.86 (180deg=-2.23) USER MOD Single : A1003 LYS NZ :NH3+ -156:sc= -0.106 (180deg=-0.633) USER MOD Single : A1006 GLN : amide:sc= -0.0151 X(o=-0.015,f=-0.39) USER MOD Single : A1007 GLN :FLIP amide:sc= -0.279 F(o=-1.5,f=-0.28) USER MOD Single : A1008 TYR OH : rot 180:sc= 0 USER MOD Single : A1014 GLN :FLIP amide:sc= -2.31! C(o=-7.7!,f=-2.3!) USER MOD Single : A1015 GLN : amide:sc= -0.284 X(o=-0.28,f=-0.66) USER MOD Single : A1017 TYR OH : rot 180:sc= 0 USER MOD Single : A1018 LYS NZ :NH3+ -144:sc= -0.209 (180deg=-0.836) USER MOD Single : A1019 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A1020 GLN : amide:sc= 0.0825 K(o=0.083,f=-0.6) USER MOD Single : A1021 MET CE :methyl -163:sc= -1.23 (180deg=-1.37) USER MOD Single : A1023 THR OG1 : rot 180:sc= 0 USER MOD Single : A1026 HIS : no HD1:sc= -0.154 X(o=-0.15,f=0) USER MOD Single : A1033 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A1034 ASN : amide:sc= -0.97 X(o=-0.97,f=-0.82) USER MOD Single : A1041 GLN : amide:sc= 0.958 K(o=0.96,f=-0.18) USER MOD Single : A1045 LYS NZ :NH3+ -162:sc= 1.28 (180deg=1.15) USER MOD Single : A1046 MET CE :methyl -161:sc= -0.125 (180deg=-0.547) USER MOD Single : A1048 SER OG : rot 180:sc= 0 USER MOD Single : A1049 GLN : amide:sc= -0.414 K(o=-0.41,f=-1.6!) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 920 -7.672 -19.333 -0.778 1.00 0.00 N ATOM 2 CA ARG A 920 -7.367 -17.936 -1.071 1.00 0.00 C ATOM 3 C ARG A 920 -8.501 -16.982 -0.674 1.00 0.00 C ATOM 4 O ARG A 920 -8.438 -16.366 0.390 1.00 0.00 O ATOM 5 CB ARG A 920 -6.993 -17.773 -2.540 1.00 0.00 C ATOM 6 CG ARG A 920 -6.764 -16.337 -2.959 1.00 0.00 C ATOM 7 CD ARG A 920 -5.680 -16.254 -4.006 1.00 0.00 C ATOM 8 NE ARG A 920 -5.837 -15.102 -4.887 1.00 0.00 N ATOM 9 CZ ARG A 920 -6.035 -15.179 -6.203 1.00 0.00 C ATOM 10 NH1 ARG A 920 -6.289 -16.349 -6.780 1.00 0.00 N ATOM 11 NH2 ARG A 920 -6.020 -14.074 -6.937 1.00 0.00 N ATOM 0 HA ARG A 920 -6.511 -17.658 -0.457 1.00 0.00 H new ATOM 0 HB2 ARG A 920 -6.089 -18.348 -2.741 1.00 0.00 H new ATOM 0 HB3 ARG A 920 -7.785 -18.199 -3.156 1.00 0.00 H new ATOM 0 HG2 ARG A 920 -7.689 -15.915 -3.352 1.00 0.00 H new ATOM 0 HG3 ARG A 920 -6.485 -15.740 -2.091 1.00 0.00 H new ATOM 0 HD2 ARG A 920 -4.709 -16.201 -3.514 1.00 0.00 H new ATOM 0 HD3 ARG A 920 -5.686 -17.166 -4.603 1.00 0.00 H new ATOM 0 HE ARG A 920 -5.792 -14.174 -4.467 1.00 0.00 H new ATOM 0 HH11 ARG A 920 -6.334 -17.197 -6.215 1.00 0.00 H new ATOM 0 HH12 ARG A 920 -6.439 -16.399 -7.788 1.00 0.00 H new ATOM 0 HH21 ARG A 920 -5.857 -13.170 -6.494 1.00 0.00 H new ATOM 0 HH22 ARG A 920 -6.171 -14.129 -7.944 1.00 0.00 H new ATOM 25 N SER A 921 -9.511 -16.849 -1.538 1.00 0.00 N ATOM 26 CA SER A 921 -10.641 -15.940 -1.309 1.00 0.00 C ATOM 27 C SER A 921 -10.185 -14.479 -1.182 1.00 0.00 C ATOM 28 O SER A 921 -10.955 -13.622 -0.749 1.00 0.00 O ATOM 29 CB SER A 921 -11.413 -16.361 -0.054 1.00 0.00 C ATOM 30 OG SER A 921 -11.847 -17.709 -0.152 1.00 0.00 O ATOM 0 H SER A 921 -9.570 -17.367 -2.415 1.00 0.00 H new ATOM 0 HA SER A 921 -11.296 -16.007 -2.177 1.00 0.00 H new ATOM 0 HB2 SER A 921 -10.779 -16.242 0.824 1.00 0.00 H new ATOM 0 HB3 SER A 921 -12.274 -15.707 0.084 1.00 0.00 H new ATOM 0 HG SER A 921 -12.336 -17.955 0.661 1.00 0.00 H new ATOM 36 N ASN A 922 -8.942 -14.213 -1.605 1.00 0.00 N ATOM 37 CA ASN A 922 -8.295 -12.899 -1.453 1.00 0.00 C ATOM 38 C ASN A 922 -8.555 -12.331 -0.091 1.00 0.00 C ATOM 39 O ASN A 922 -8.975 -11.177 0.042 1.00 0.00 O ATOM 40 CB ASN A 922 -8.756 -11.882 -2.483 1.00 0.00 C ATOM 41 CG ASN A 922 -9.495 -12.499 -3.643 1.00 0.00 C ATOM 42 OD1 ASN A 922 -10.726 -12.494 -3.698 1.00 0.00 O ATOM 43 ND2 ASN A 922 -8.738 -13.067 -4.560 1.00 0.00 N ATOM 0 H ASN A 922 -8.352 -14.906 -2.065 1.00 0.00 H new ATOM 0 HA ASN A 922 -7.230 -13.080 -1.601 1.00 0.00 H new ATOM 0 HB2 ASN A 922 -9.402 -11.151 -1.997 1.00 0.00 H new ATOM 0 HB3 ASN A 922 -7.889 -11.340 -2.861 1.00 0.00 H new ATOM 0 HD21 ASN A 922 -9.168 -13.530 -5.361 1.00 0.00 H new ATOM 0 HD22 ASN A 922 -7.722 -13.044 -4.469 1.00 0.00 H new ATOM 50 N ASP A 923 -8.250 -13.155 0.891 1.00 0.00 N ATOM 51 CA ASP A 923 -8.416 -12.871 2.313 1.00 0.00 C ATOM 52 C ASP A 923 -7.881 -11.479 2.685 1.00 0.00 C ATOM 53 O ASP A 923 -7.514 -10.693 1.825 1.00 0.00 O ATOM 54 CB ASP A 923 -7.696 -13.983 3.096 1.00 0.00 C ATOM 55 CG ASP A 923 -7.827 -13.881 4.600 1.00 0.00 C ATOM 56 OD1 ASP A 923 -8.904 -13.499 5.086 1.00 0.00 O ATOM 57 OD2 ASP A 923 -6.838 -14.173 5.299 1.00 0.00 O ATOM 0 H ASP A 923 -7.862 -14.083 0.718 1.00 0.00 H new ATOM 0 HA ASP A 923 -9.476 -12.858 2.568 1.00 0.00 H new ATOM 0 HB2 ASP A 923 -8.089 -14.948 2.775 1.00 0.00 H new ATOM 0 HB3 ASP A 923 -6.638 -13.966 2.835 1.00 0.00 H new ATOM 62 N LYS A 924 -7.897 -11.170 3.965 1.00 0.00 N ATOM 63 CA LYS A 924 -7.396 -9.895 4.513 1.00 0.00 C ATOM 64 C LYS A 924 -6.177 -9.356 3.733 1.00 0.00 C ATOM 65 O LYS A 924 -5.921 -8.157 3.717 1.00 0.00 O ATOM 66 CB LYS A 924 -7.026 -10.099 5.988 1.00 0.00 C ATOM 67 CG LYS A 924 -7.460 -8.967 6.912 1.00 0.00 C ATOM 68 CD LYS A 924 -6.776 -7.657 6.568 1.00 0.00 C ATOM 69 CE LYS A 924 -7.043 -6.581 7.609 1.00 0.00 C ATOM 70 NZ LYS A 924 -8.489 -6.244 7.707 1.00 0.00 N ATOM 0 H LYS A 924 -8.262 -11.800 4.679 1.00 0.00 H new ATOM 0 HA LYS A 924 -8.188 -9.152 4.416 1.00 0.00 H new ATOM 0 HB2 LYS A 924 -7.476 -11.028 6.337 1.00 0.00 H new ATOM 0 HB3 LYS A 924 -5.945 -10.220 6.065 1.00 0.00 H new ATOM 0 HG2 LYS A 924 -8.541 -8.840 6.846 1.00 0.00 H new ATOM 0 HG3 LYS A 924 -7.233 -9.234 7.944 1.00 0.00 H new ATOM 0 HD2 LYS A 924 -5.702 -7.821 6.484 1.00 0.00 H new ATOM 0 HD3 LYS A 924 -7.123 -7.312 5.594 1.00 0.00 H new ATOM 0 HE2 LYS A 924 -6.683 -6.920 8.581 1.00 0.00 H new ATOM 0 HE3 LYS A 924 -6.478 -5.684 7.355 1.00 0.00 H new ATOM 0 HZ1 LYS A 924 -8.595 -5.265 8.041 1.00 0.00 H new ATOM 0 HZ2 LYS A 924 -8.932 -6.341 6.771 1.00 0.00 H new ATOM 0 HZ3 LYS A 924 -8.951 -6.890 8.378 1.00 0.00 H new ATOM 84 N VAL A 925 -5.441 -10.252 3.085 1.00 0.00 N ATOM 85 CA VAL A 925 -4.345 -9.879 2.211 1.00 0.00 C ATOM 86 C VAL A 925 -4.786 -8.926 1.096 1.00 0.00 C ATOM 87 O VAL A 925 -4.200 -7.856 0.938 1.00 0.00 O ATOM 88 CB VAL A 925 -3.682 -11.125 1.595 1.00 0.00 C ATOM 89 CG1 VAL A 925 -2.809 -11.826 2.626 1.00 0.00 C ATOM 90 CG2 VAL A 925 -4.732 -12.087 1.052 1.00 0.00 C ATOM 0 H VAL A 925 -5.591 -11.259 3.154 1.00 0.00 H new ATOM 0 HA VAL A 925 -3.620 -9.354 2.833 1.00 0.00 H new ATOM 0 HB VAL A 925 -3.054 -10.800 0.765 1.00 0.00 H new ATOM 0 HG11 VAL A 925 -2.348 -12.705 2.175 1.00 0.00 H new ATOM 0 HG12 VAL A 925 -2.031 -11.143 2.969 1.00 0.00 H new ATOM 0 HG13 VAL A 925 -3.422 -12.133 3.474 1.00 0.00 H new ATOM 0 HG21 VAL A 925 -4.239 -12.959 0.622 1.00 0.00 H new ATOM 0 HG22 VAL A 925 -5.389 -12.404 1.862 1.00 0.00 H new ATOM 0 HG23 VAL A 925 -5.320 -11.587 0.283 1.00 0.00 H new ATOM 100 N TYR A 926 -5.850 -9.258 0.361 1.00 0.00 N ATOM 101 CA TYR A 926 -6.264 -8.406 -0.740 1.00 0.00 C ATOM 102 C TYR A 926 -6.980 -7.204 -0.153 1.00 0.00 C ATOM 103 O TYR A 926 -6.873 -6.075 -0.629 1.00 0.00 O ATOM 104 CB TYR A 926 -7.189 -9.186 -1.676 1.00 0.00 C ATOM 105 CG TYR A 926 -7.942 -8.323 -2.656 1.00 0.00 C ATOM 106 CD1 TYR A 926 -9.186 -7.797 -2.333 1.00 0.00 C ATOM 107 CD2 TYR A 926 -7.404 -8.024 -3.896 1.00 0.00 C ATOM 108 CE1 TYR A 926 -9.868 -6.990 -3.224 1.00 0.00 C ATOM 109 CE2 TYR A 926 -8.078 -7.222 -4.793 1.00 0.00 C ATOM 110 CZ TYR A 926 -9.309 -6.705 -4.452 1.00 0.00 C ATOM 111 OH TYR A 926 -9.979 -5.893 -5.338 1.00 0.00 O ATOM 0 H TYR A 926 -6.423 -10.089 0.507 1.00 0.00 H new ATOM 0 HA TYR A 926 -5.403 -8.075 -1.320 1.00 0.00 H new ATOM 0 HB2 TYR A 926 -6.597 -9.915 -2.230 1.00 0.00 H new ATOM 0 HB3 TYR A 926 -7.906 -9.747 -1.077 1.00 0.00 H new ATOM 0 HD1 TYR A 926 -9.626 -8.022 -1.373 1.00 0.00 H new ATOM 0 HD2 TYR A 926 -6.439 -8.426 -4.166 1.00 0.00 H new ATOM 0 HE1 TYR A 926 -10.834 -6.585 -2.960 1.00 0.00 H new ATOM 0 HE2 TYR A 926 -7.644 -7.001 -5.757 1.00 0.00 H new ATOM 0 HH TYR A 926 -9.448 -5.792 -6.155 1.00 0.00 H new ATOM 121 N GLU A 927 -7.690 -7.485 0.917 1.00 0.00 N ATOM 122 CA GLU A 927 -8.506 -6.512 1.608 1.00 0.00 C ATOM 123 C GLU A 927 -7.668 -5.350 2.134 1.00 0.00 C ATOM 124 O GLU A 927 -7.951 -4.186 1.845 1.00 0.00 O ATOM 125 CB GLU A 927 -9.191 -7.213 2.768 1.00 0.00 C ATOM 126 CG GLU A 927 -10.409 -6.491 3.273 1.00 0.00 C ATOM 127 CD GLU A 927 -10.447 -6.425 4.785 1.00 0.00 C ATOM 128 OE1 GLU A 927 -9.589 -5.733 5.370 1.00 0.00 O ATOM 129 OE2 GLU A 927 -11.316 -7.075 5.399 1.00 0.00 O ATOM 0 H GLU A 927 -7.717 -8.413 1.339 1.00 0.00 H new ATOM 0 HA GLU A 927 -9.237 -6.100 0.912 1.00 0.00 H new ATOM 0 HB2 GLU A 927 -9.477 -8.218 2.457 1.00 0.00 H new ATOM 0 HB3 GLU A 927 -8.479 -7.324 3.586 1.00 0.00 H new ATOM 0 HG2 GLU A 927 -10.425 -5.480 2.866 1.00 0.00 H new ATOM 0 HG3 GLU A 927 -11.305 -6.995 2.910 1.00 0.00 H new ATOM 136 N ASN A 928 -6.631 -5.676 2.892 1.00 0.00 N ATOM 137 CA ASN A 928 -5.824 -4.668 3.565 1.00 0.00 C ATOM 138 C ASN A 928 -5.091 -3.792 2.563 1.00 0.00 C ATOM 139 O ASN A 928 -5.057 -2.575 2.711 1.00 0.00 O ATOM 140 CB ASN A 928 -4.822 -5.332 4.505 1.00 0.00 C ATOM 141 CG ASN A 928 -4.308 -4.397 5.584 1.00 0.00 C ATOM 142 OD1 ASN A 928 -4.249 -3.183 5.408 1.00 0.00 O ATOM 143 ND2 ASN A 928 -3.924 -4.967 6.712 1.00 0.00 N ATOM 0 H ASN A 928 -6.327 -6.636 3.057 1.00 0.00 H new ATOM 0 HA ASN A 928 -6.496 -4.035 4.146 1.00 0.00 H new ATOM 0 HB2 ASN A 928 -5.291 -6.196 4.975 1.00 0.00 H new ATOM 0 HB3 ASN A 928 -3.979 -5.704 3.923 1.00 0.00 H new ATOM 0 HD21 ASN A 928 -3.563 -4.395 7.475 1.00 0.00 H new ATOM 0 HD22 ASN A 928 -3.989 -5.979 6.820 1.00 0.00 H new ATOM 150 N VAL A 929 -4.489 -4.402 1.545 1.00 0.00 N ATOM 151 CA VAL A 929 -3.817 -3.618 0.519 1.00 0.00 C ATOM 152 C VAL A 929 -4.793 -2.691 -0.194 1.00 0.00 C ATOM 153 O VAL A 929 -4.436 -1.574 -0.574 1.00 0.00 O ATOM 154 CB VAL A 929 -3.103 -4.475 -0.527 1.00 0.00 C ATOM 155 CG1 VAL A 929 -2.245 -3.583 -1.392 1.00 0.00 C ATOM 156 CG2 VAL A 929 -2.258 -5.544 0.120 1.00 0.00 C ATOM 0 H VAL A 929 -4.453 -5.413 1.411 1.00 0.00 H new ATOM 0 HA VAL A 929 -3.063 -3.036 1.050 1.00 0.00 H new ATOM 0 HB VAL A 929 -3.853 -4.976 -1.139 1.00 0.00 H new ATOM 0 HG11 VAL A 929 -1.732 -4.187 -2.141 1.00 0.00 H new ATOM 0 HG12 VAL A 929 -2.874 -2.845 -1.890 1.00 0.00 H new ATOM 0 HG13 VAL A 929 -1.509 -3.073 -0.771 1.00 0.00 H new ATOM 0 HG21 VAL A 929 -1.765 -6.135 -0.652 1.00 0.00 H new ATOM 0 HG22 VAL A 929 -1.506 -5.078 0.756 1.00 0.00 H new ATOM 0 HG23 VAL A 929 -2.892 -6.193 0.724 1.00 0.00 H new ATOM 166 N THR A 930 -6.025 -3.146 -0.368 1.00 0.00 N ATOM 167 CA THR A 930 -7.063 -2.285 -0.901 1.00 0.00 C ATOM 168 C THR A 930 -7.238 -1.104 0.050 1.00 0.00 C ATOM 169 O THR A 930 -7.391 0.037 -0.375 1.00 0.00 O ATOM 170 CB THR A 930 -8.399 -3.045 -1.072 1.00 0.00 C ATOM 171 OG1 THR A 930 -8.210 -4.171 -1.940 1.00 0.00 O ATOM 172 CG2 THR A 930 -9.485 -2.140 -1.642 1.00 0.00 C ATOM 0 H THR A 930 -6.326 -4.096 -0.150 1.00 0.00 H new ATOM 0 HA THR A 930 -6.768 -1.935 -1.890 1.00 0.00 H new ATOM 0 HB THR A 930 -8.720 -3.385 -0.087 1.00 0.00 H new ATOM 0 HG1 THR A 930 -7.864 -4.928 -1.423 1.00 0.00 H new ATOM 0 HG21 THR A 930 -10.411 -2.706 -1.749 1.00 0.00 H new ATOM 0 HG22 THR A 930 -9.649 -1.300 -0.968 1.00 0.00 H new ATOM 0 HG23 THR A 930 -9.173 -1.767 -2.617 1.00 0.00 H new ATOM 180 N GLY A 931 -7.162 -1.408 1.344 1.00 0.00 N ATOM 181 CA GLY A 931 -7.181 -0.391 2.380 1.00 0.00 C ATOM 182 C GLY A 931 -6.051 0.624 2.250 1.00 0.00 C ATOM 183 O GLY A 931 -6.233 1.788 2.590 1.00 0.00 O ATOM 0 H GLY A 931 -7.086 -2.362 1.697 1.00 0.00 H new ATOM 0 HA2 GLY A 931 -8.136 0.133 2.347 1.00 0.00 H new ATOM 0 HA3 GLY A 931 -7.116 -0.874 3.355 1.00 0.00 H new ATOM 187 N LEU A 932 -4.887 0.198 1.753 1.00 0.00 N ATOM 188 CA LEU A 932 -3.780 1.120 1.522 1.00 0.00 C ATOM 189 C LEU A 932 -4.138 2.073 0.375 1.00 0.00 C ATOM 190 O LEU A 932 -3.803 3.261 0.402 1.00 0.00 O ATOM 191 CB LEU A 932 -2.491 0.317 1.262 1.00 0.00 C ATOM 192 CG LEU A 932 -1.287 1.068 0.670 1.00 0.00 C ATOM 193 CD1 LEU A 932 -0.968 2.334 1.442 1.00 0.00 C ATOM 194 CD2 LEU A 932 -0.071 0.158 0.660 1.00 0.00 C ATOM 0 H LEU A 932 -4.691 -0.772 1.506 1.00 0.00 H new ATOM 0 HA LEU A 932 -3.599 1.737 2.402 1.00 0.00 H new ATOM 0 HB2 LEU A 932 -2.177 -0.128 2.206 1.00 0.00 H new ATOM 0 HB3 LEU A 932 -2.738 -0.504 0.589 1.00 0.00 H new ATOM 0 HG LEU A 932 -1.548 1.358 -0.348 1.00 0.00 H new ATOM 0 HD11 LEU A 932 -0.111 2.831 0.988 1.00 0.00 H new ATOM 0 HD12 LEU A 932 -1.829 3.002 1.418 1.00 0.00 H new ATOM 0 HD13 LEU A 932 -0.734 2.080 2.476 1.00 0.00 H new ATOM 0 HD21 LEU A 932 0.781 0.693 0.240 1.00 0.00 H new ATOM 0 HD22 LEU A 932 0.161 -0.150 1.679 1.00 0.00 H new ATOM 0 HD23 LEU A 932 -0.281 -0.723 0.054 1.00 0.00 H new ATOM 206 N VAL A 933 -4.869 1.559 -0.605 1.00 0.00 N ATOM 207 CA VAL A 933 -5.413 2.397 -1.667 1.00 0.00 C ATOM 208 C VAL A 933 -6.530 3.289 -1.112 1.00 0.00 C ATOM 209 O VAL A 933 -6.661 4.448 -1.482 1.00 0.00 O ATOM 210 CB VAL A 933 -5.967 1.549 -2.833 1.00 0.00 C ATOM 211 CG1 VAL A 933 -6.452 2.435 -3.972 1.00 0.00 C ATOM 212 CG2 VAL A 933 -4.917 0.567 -3.328 1.00 0.00 C ATOM 0 H VAL A 933 -5.099 0.569 -0.687 1.00 0.00 H new ATOM 0 HA VAL A 933 -4.600 3.014 -2.049 1.00 0.00 H new ATOM 0 HB VAL A 933 -6.820 0.982 -2.461 1.00 0.00 H new ATOM 0 HG11 VAL A 933 -6.837 1.812 -4.779 1.00 0.00 H new ATOM 0 HG12 VAL A 933 -7.244 3.091 -3.611 1.00 0.00 H new ATOM 0 HG13 VAL A 933 -5.623 3.038 -4.343 1.00 0.00 H new ATOM 0 HG21 VAL A 933 -5.327 -0.021 -4.149 1.00 0.00 H new ATOM 0 HG22 VAL A 933 -4.041 1.115 -3.676 1.00 0.00 H new ATOM 0 HG23 VAL A 933 -4.629 -0.098 -2.514 1.00 0.00 H new ATOM 222 N LYS A 934 -7.332 2.733 -0.216 1.00 0.00 N ATOM 223 CA LYS A 934 -8.400 3.483 0.439 1.00 0.00 C ATOM 224 C LYS A 934 -7.819 4.599 1.294 1.00 0.00 C ATOM 225 O LYS A 934 -8.473 5.602 1.550 1.00 0.00 O ATOM 226 CB LYS A 934 -9.264 2.565 1.317 1.00 0.00 C ATOM 227 CG LYS A 934 -9.847 1.342 0.610 1.00 0.00 C ATOM 228 CD LYS A 934 -10.700 1.704 -0.599 1.00 0.00 C ATOM 229 CE LYS A 934 -9.869 1.817 -1.868 1.00 0.00 C ATOM 230 NZ LYS A 934 -10.713 2.116 -3.054 1.00 0.00 N ATOM 0 H LYS A 934 -7.264 1.758 0.077 1.00 0.00 H new ATOM 0 HA LYS A 934 -9.028 3.913 -0.341 1.00 0.00 H new ATOM 0 HB2 LYS A 934 -8.662 2.224 2.159 1.00 0.00 H new ATOM 0 HB3 LYS A 934 -10.085 3.152 1.729 1.00 0.00 H new ATOM 0 HG2 LYS A 934 -9.033 0.691 0.292 1.00 0.00 H new ATOM 0 HG3 LYS A 934 -10.451 0.774 1.317 1.00 0.00 H new ATOM 0 HD2 LYS A 934 -11.473 0.948 -0.737 1.00 0.00 H new ATOM 0 HD3 LYS A 934 -11.209 2.650 -0.414 1.00 0.00 H new ATOM 0 HE2 LYS A 934 -9.123 2.602 -1.745 1.00 0.00 H new ATOM 0 HE3 LYS A 934 -9.328 0.885 -2.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 934 -10.111 2.186 -3.900 1.00 0.00 H new ATOM 0 HZ2 LYS A 934 -11.409 1.354 -3.186 1.00 0.00 H new ATOM 0 HZ3 LYS A 934 -11.210 3.018 -2.908 1.00 0.00 H new ATOM 244 N ALA A 935 -6.584 4.417 1.731 1.00 0.00 N ATOM 245 CA ALA A 935 -5.912 5.414 2.543 1.00 0.00 C ATOM 246 C ALA A 935 -5.458 6.596 1.701 1.00 0.00 C ATOM 247 O ALA A 935 -5.381 7.721 2.188 1.00 0.00 O ATOM 248 CB ALA A 935 -4.742 4.804 3.273 1.00 0.00 C ATOM 0 H ALA A 935 -6.026 3.586 1.536 1.00 0.00 H new ATOM 0 HA ALA A 935 -6.627 5.782 3.279 1.00 0.00 H new ATOM 0 HB1 ALA A 935 -4.251 5.568 3.876 1.00 0.00 H new ATOM 0 HB2 ALA A 935 -5.095 4.002 3.921 1.00 0.00 H new ATOM 0 HB3 ALA A 935 -4.032 4.401 2.550 1.00 0.00 H new ATOM 254 N VAL A 936 -5.150 6.358 0.433 1.00 0.00 N ATOM 255 CA VAL A 936 -4.853 7.470 -0.451 1.00 0.00 C ATOM 256 C VAL A 936 -6.163 8.105 -0.910 1.00 0.00 C ATOM 257 O VAL A 936 -6.195 9.224 -1.428 1.00 0.00 O ATOM 258 CB VAL A 936 -3.933 7.079 -1.638 1.00 0.00 C ATOM 259 CG1 VAL A 936 -4.623 6.141 -2.613 1.00 0.00 C ATOM 260 CG2 VAL A 936 -3.424 8.319 -2.361 1.00 0.00 C ATOM 0 H VAL A 936 -5.101 5.433 0.006 1.00 0.00 H new ATOM 0 HA VAL A 936 -4.277 8.208 0.108 1.00 0.00 H new ATOM 0 HB VAL A 936 -3.082 6.543 -1.218 1.00 0.00 H new ATOM 0 HG11 VAL A 936 -3.940 5.895 -3.426 1.00 0.00 H new ATOM 0 HG12 VAL A 936 -4.914 5.227 -2.095 1.00 0.00 H new ATOM 0 HG13 VAL A 936 -5.511 6.626 -3.018 1.00 0.00 H new ATOM 0 HG21 VAL A 936 -2.781 8.019 -3.189 1.00 0.00 H new ATOM 0 HG22 VAL A 936 -4.270 8.889 -2.746 1.00 0.00 H new ATOM 0 HG23 VAL A 936 -2.856 8.938 -1.666 1.00 0.00 H new ATOM 270 N ILE A 937 -7.254 7.386 -0.672 1.00 0.00 N ATOM 271 CA ILE A 937 -8.582 7.962 -0.773 1.00 0.00 C ATOM 272 C ILE A 937 -8.807 8.882 0.429 1.00 0.00 C ATOM 273 O ILE A 937 -9.349 9.981 0.297 1.00 0.00 O ATOM 274 CB ILE A 937 -9.682 6.878 -0.827 1.00 0.00 C ATOM 275 CG1 ILE A 937 -9.494 5.985 -2.058 1.00 0.00 C ATOM 276 CG2 ILE A 937 -11.068 7.509 -0.830 1.00 0.00 C ATOM 277 CD1 ILE A 937 -9.534 6.739 -3.373 1.00 0.00 C ATOM 0 H ILE A 937 -7.241 6.401 -0.407 1.00 0.00 H new ATOM 0 HA ILE A 937 -8.646 8.526 -1.703 1.00 0.00 H new ATOM 0 HB ILE A 937 -9.594 6.260 0.066 1.00 0.00 H new ATOM 0 HG12 ILE A 937 -8.539 5.466 -1.976 1.00 0.00 H new ATOM 0 HG13 ILE A 937 -10.272 5.222 -2.064 1.00 0.00 H new ATOM 0 HG21 ILE A 937 -11.825 6.725 -0.868 1.00 0.00 H new ATOM 0 HG22 ILE A 937 -11.202 8.098 0.077 1.00 0.00 H new ATOM 0 HG23 ILE A 937 -11.171 8.156 -1.701 1.00 0.00 H new ATOM 0 HD11 ILE A 937 -9.394 6.040 -4.198 1.00 0.00 H new ATOM 0 HD12 ILE A 937 -10.498 7.236 -3.478 1.00 0.00 H new ATOM 0 HD13 ILE A 937 -8.738 7.484 -3.390 1.00 0.00 H new ATOM 289 N GLU A 938 -8.382 8.412 1.605 1.00 0.00 N ATOM 290 CA GLU A 938 -8.312 9.252 2.803 1.00 0.00 C ATOM 291 C GLU A 938 -7.525 10.519 2.511 1.00 0.00 C ATOM 292 O GLU A 938 -7.921 11.607 2.914 1.00 0.00 O ATOM 293 CB GLU A 938 -7.649 8.512 3.971 1.00 0.00 C ATOM 294 CG GLU A 938 -8.363 7.232 4.369 1.00 0.00 C ATOM 295 CD GLU A 938 -9.830 7.454 4.667 1.00 0.00 C ATOM 296 OE1 GLU A 938 -10.163 7.853 5.804 1.00 0.00 O ATOM 297 OE2 GLU A 938 -10.663 7.235 3.766 1.00 0.00 O ATOM 0 H GLU A 938 -8.080 7.449 1.753 1.00 0.00 H new ATOM 0 HA GLU A 938 -9.334 9.504 3.084 1.00 0.00 H new ATOM 0 HB2 GLU A 938 -6.620 8.274 3.701 1.00 0.00 H new ATOM 0 HB3 GLU A 938 -7.607 9.177 4.834 1.00 0.00 H new ATOM 0 HG2 GLU A 938 -8.265 6.501 3.566 1.00 0.00 H new ATOM 0 HG3 GLU A 938 -7.877 6.807 5.248 1.00 0.00 H new ATOM 304 N MET A 939 -6.424 10.368 1.780 1.00 0.00 N ATOM 305 CA MET A 939 -5.604 11.506 1.387 1.00 0.00 C ATOM 306 C MET A 939 -6.437 12.489 0.573 1.00 0.00 C ATOM 307 O MET A 939 -6.349 13.699 0.764 1.00 0.00 O ATOM 308 CB MET A 939 -4.382 11.052 0.578 1.00 0.00 C ATOM 309 CG MET A 939 -3.707 12.186 -0.179 1.00 0.00 C ATOM 310 SD MET A 939 -2.281 11.657 -1.153 1.00 0.00 S ATOM 311 CE MET A 939 -2.085 13.085 -2.222 1.00 0.00 C ATOM 0 H MET A 939 -6.080 9.467 1.448 1.00 0.00 H new ATOM 0 HA MET A 939 -5.247 11.999 2.291 1.00 0.00 H new ATOM 0 HB2 MET A 939 -3.659 10.593 1.252 1.00 0.00 H new ATOM 0 HB3 MET A 939 -4.689 10.283 -0.131 1.00 0.00 H new ATOM 0 HG2 MET A 939 -4.435 12.654 -0.841 1.00 0.00 H new ATOM 0 HG3 MET A 939 -3.388 12.948 0.533 1.00 0.00 H new ATOM 0 HE1 MET A 939 -1.180 12.971 -2.819 1.00 0.00 H new ATOM 0 HE2 MET A 939 -2.948 13.166 -2.883 1.00 0.00 H new ATOM 0 HE3 MET A 939 -2.008 13.987 -1.614 1.00 0.00 H new ATOM 321 N SER A 940 -7.269 11.955 -0.312 1.00 0.00 N ATOM 322 CA SER A 940 -8.123 12.778 -1.157 1.00 0.00 C ATOM 323 C SER A 940 -9.169 13.521 -0.326 1.00 0.00 C ATOM 324 O SER A 940 -9.487 14.677 -0.602 1.00 0.00 O ATOM 325 CB SER A 940 -8.820 11.914 -2.207 1.00 0.00 C ATOM 326 OG SER A 940 -7.884 11.150 -2.953 1.00 0.00 O ATOM 0 H SER A 940 -7.370 10.951 -0.463 1.00 0.00 H new ATOM 0 HA SER A 940 -7.491 13.513 -1.655 1.00 0.00 H new ATOM 0 HB2 SER A 940 -9.530 11.246 -1.718 1.00 0.00 H new ATOM 0 HB3 SER A 940 -9.393 12.550 -2.882 1.00 0.00 H new ATOM 0 HG SER A 940 -7.469 10.481 -2.370 1.00 0.00 H new ATOM 332 N SER A 941 -9.686 12.872 0.707 1.00 0.00 N ATOM 333 CA SER A 941 -10.736 13.467 1.515 1.00 0.00 C ATOM 334 C SER A 941 -10.106 14.482 2.447 1.00 0.00 C ATOM 335 O SER A 941 -10.615 15.592 2.651 1.00 0.00 O ATOM 336 CB SER A 941 -11.470 12.381 2.304 1.00 0.00 C ATOM 337 OG SER A 941 -11.931 11.353 1.441 1.00 0.00 O ATOM 0 H SER A 941 -9.397 11.940 1.003 1.00 0.00 H new ATOM 0 HA SER A 941 -11.467 13.966 0.878 1.00 0.00 H new ATOM 0 HB2 SER A 941 -10.803 11.959 3.056 1.00 0.00 H new ATOM 0 HB3 SER A 941 -12.314 12.820 2.837 1.00 0.00 H new ATOM 0 HG SER A 941 -11.166 10.845 1.099 1.00 0.00 H new ATOM 343 N LYS A 942 -8.956 14.085 2.961 1.00 0.00 N ATOM 344 CA LYS A 942 -8.178 14.883 3.874 1.00 0.00 C ATOM 345 C LYS A 942 -7.708 16.170 3.224 1.00 0.00 C ATOM 346 O LYS A 942 -7.725 17.216 3.858 1.00 0.00 O ATOM 347 CB LYS A 942 -6.986 14.068 4.358 1.00 0.00 C ATOM 348 CG LYS A 942 -7.070 13.700 5.818 1.00 0.00 C ATOM 349 CD LYS A 942 -6.848 14.923 6.674 1.00 0.00 C ATOM 350 CE LYS A 942 -7.268 14.688 8.117 1.00 0.00 C ATOM 351 NZ LYS A 942 -6.678 13.447 8.691 1.00 0.00 N ATOM 0 H LYS A 942 -8.534 13.181 2.748 1.00 0.00 H new ATOM 0 HA LYS A 942 -8.807 15.157 4.721 1.00 0.00 H new ATOM 0 HB2 LYS A 942 -6.912 13.157 3.764 1.00 0.00 H new ATOM 0 HB3 LYS A 942 -6.072 14.636 4.185 1.00 0.00 H new ATOM 0 HG2 LYS A 942 -8.046 13.266 6.036 1.00 0.00 H new ATOM 0 HG3 LYS A 942 -6.324 12.941 6.053 1.00 0.00 H new ATOM 0 HD2 LYS A 942 -5.795 15.202 6.643 1.00 0.00 H new ATOM 0 HD3 LYS A 942 -7.412 15.761 6.264 1.00 0.00 H new ATOM 0 HE2 LYS A 942 -6.967 15.543 8.723 1.00 0.00 H new ATOM 0 HE3 LYS A 942 -8.355 14.627 8.170 1.00 0.00 H new ATOM 0 HZ1 LYS A 942 -6.839 13.429 9.718 1.00 0.00 H new ATOM 0 HZ2 LYS A 942 -7.126 12.616 8.255 1.00 0.00 H new ATOM 0 HZ3 LYS A 942 -5.656 13.428 8.501 1.00 0.00 H new ATOM 365 N ILE A 943 -7.303 16.093 1.961 1.00 0.00 N ATOM 366 CA ILE A 943 -6.789 17.261 1.260 1.00 0.00 C ATOM 367 C ILE A 943 -7.918 18.227 0.891 1.00 0.00 C ATOM 368 O ILE A 943 -7.682 19.423 0.694 1.00 0.00 O ATOM 369 CB ILE A 943 -5.982 16.877 -0.009 1.00 0.00 C ATOM 370 CG1 ILE A 943 -5.241 18.091 -0.569 1.00 0.00 C ATOM 371 CG2 ILE A 943 -6.883 16.284 -1.079 1.00 0.00 C ATOM 372 CD1 ILE A 943 -4.291 18.735 0.416 1.00 0.00 C ATOM 0 H ILE A 943 -7.321 15.238 1.405 1.00 0.00 H new ATOM 0 HA ILE A 943 -6.108 17.761 1.949 1.00 0.00 H new ATOM 0 HB ILE A 943 -5.253 16.121 0.285 1.00 0.00 H new ATOM 0 HG12 ILE A 943 -4.681 17.787 -1.453 1.00 0.00 H new ATOM 0 HG13 ILE A 943 -5.971 18.833 -0.893 1.00 0.00 H new ATOM 0 HG21 ILE A 943 -6.287 16.026 -1.954 1.00 0.00 H new ATOM 0 HG22 ILE A 943 -7.366 15.387 -0.692 1.00 0.00 H new ATOM 0 HG23 ILE A 943 -7.643 17.013 -1.360 1.00 0.00 H new ATOM 0 HD11 ILE A 943 -3.803 19.589 -0.054 1.00 0.00 H new ATOM 0 HD12 ILE A 943 -4.847 19.071 1.291 1.00 0.00 H new ATOM 0 HD13 ILE A 943 -3.537 18.010 0.722 1.00 0.00 H new ATOM 384 N GLN A 944 -9.143 17.709 0.800 1.00 0.00 N ATOM 385 CA GLN A 944 -10.302 18.547 0.501 1.00 0.00 C ATOM 386 C GLN A 944 -10.409 19.735 1.469 1.00 0.00 C ATOM 387 O GLN A 944 -10.497 20.878 1.018 1.00 0.00 O ATOM 388 CB GLN A 944 -11.593 17.721 0.493 1.00 0.00 C ATOM 389 CG GLN A 944 -11.667 16.751 -0.673 1.00 0.00 C ATOM 390 CD GLN A 944 -12.864 15.826 -0.599 1.00 0.00 C ATOM 391 OE1 GLN A 944 -13.914 16.184 -0.068 1.00 0.00 O ATOM 392 NE2 GLN A 944 -12.710 14.624 -1.132 1.00 0.00 N ATOM 0 H GLN A 944 -9.357 16.720 0.928 1.00 0.00 H new ATOM 0 HA GLN A 944 -10.159 18.956 -0.499 1.00 0.00 H new ATOM 0 HB2 GLN A 944 -11.668 17.165 1.427 1.00 0.00 H new ATOM 0 HB3 GLN A 944 -12.449 18.395 0.454 1.00 0.00 H new ATOM 0 HG2 GLN A 944 -11.708 17.315 -1.605 1.00 0.00 H new ATOM 0 HG3 GLN A 944 -10.755 16.155 -0.701 1.00 0.00 H new ATOM 0 HE21 GLN A 944 -11.822 14.367 -1.563 1.00 0.00 H new ATOM 0 HE22 GLN A 944 -13.479 13.955 -1.112 1.00 0.00 H new ATOM 401 N PRO A 945 -10.419 19.516 2.804 1.00 0.00 N ATOM 402 CA PRO A 945 -10.389 20.612 3.768 1.00 0.00 C ATOM 403 C PRO A 945 -8.998 20.860 4.369 1.00 0.00 C ATOM 404 O PRO A 945 -8.876 21.462 5.438 1.00 0.00 O ATOM 405 CB PRO A 945 -11.338 20.094 4.839 1.00 0.00 C ATOM 406 CG PRO A 945 -11.123 18.611 4.850 1.00 0.00 C ATOM 407 CD PRO A 945 -10.543 18.234 3.503 1.00 0.00 C ATOM 0 HA PRO A 945 -10.658 21.569 3.320 1.00 0.00 H new ATOM 0 HB2 PRO A 945 -11.116 20.534 5.811 1.00 0.00 H new ATOM 0 HB3 PRO A 945 -12.373 20.343 4.605 1.00 0.00 H new ATOM 0 HG2 PRO A 945 -10.445 18.326 5.654 1.00 0.00 H new ATOM 0 HG3 PRO A 945 -12.063 18.087 5.025 1.00 0.00 H new ATOM 0 HD2 PRO A 945 -9.577 17.740 3.608 1.00 0.00 H new ATOM 0 HD3 PRO A 945 -11.196 17.547 2.965 1.00 0.00 H new ATOM 415 N ALA A 946 -7.952 20.417 3.681 1.00 0.00 N ATOM 416 CA ALA A 946 -6.600 20.473 4.232 1.00 0.00 C ATOM 417 C ALA A 946 -5.868 21.771 3.926 1.00 0.00 C ATOM 418 O ALA A 946 -5.811 22.216 2.780 1.00 0.00 O ATOM 419 CB ALA A 946 -5.767 19.317 3.714 1.00 0.00 C ATOM 0 H ALA A 946 -8.012 20.017 2.745 1.00 0.00 H new ATOM 0 HA ALA A 946 -6.724 20.411 5.313 1.00 0.00 H new ATOM 0 HB1 ALA A 946 -4.763 19.375 4.135 1.00 0.00 H new ATOM 0 HB2 ALA A 946 -6.230 18.375 4.007 1.00 0.00 H new ATOM 0 HB3 ALA A 946 -5.708 19.369 2.627 1.00 0.00 H new ATOM 425 N PRO A 947 -5.322 22.405 4.971 1.00 0.00 N ATOM 426 CA PRO A 947 -4.244 23.378 4.847 1.00 0.00 C ATOM 427 C PRO A 947 -2.910 22.624 4.815 1.00 0.00 C ATOM 428 O PRO A 947 -2.920 21.396 4.911 1.00 0.00 O ATOM 429 CB PRO A 947 -4.374 24.227 6.128 1.00 0.00 C ATOM 430 CG PRO A 947 -5.501 23.631 6.916 1.00 0.00 C ATOM 431 CD PRO A 947 -5.726 22.252 6.367 1.00 0.00 C ATOM 0 HA PRO A 947 -4.291 23.991 3.947 1.00 0.00 H new ATOM 0 HB2 PRO A 947 -3.447 24.210 6.701 1.00 0.00 H new ATOM 0 HB3 PRO A 947 -4.579 25.269 5.884 1.00 0.00 H new ATOM 0 HG2 PRO A 947 -5.253 23.590 7.977 1.00 0.00 H new ATOM 0 HG3 PRO A 947 -6.402 24.237 6.823 1.00 0.00 H new ATOM 0 HD2 PRO A 947 -5.125 21.505 6.885 1.00 0.00 H new ATOM 0 HD3 PRO A 947 -6.767 21.943 6.458 1.00 0.00 H new ATOM 439 N PRO A 948 -1.751 23.305 4.688 1.00 0.00 N ATOM 440 CA PRO A 948 -0.440 22.631 4.694 1.00 0.00 C ATOM 441 C PRO A 948 -0.291 21.694 5.892 1.00 0.00 C ATOM 442 O PRO A 948 0.302 20.604 5.796 1.00 0.00 O ATOM 443 CB PRO A 948 0.573 23.783 4.775 1.00 0.00 C ATOM 444 CG PRO A 948 -0.229 25.015 5.049 1.00 0.00 C ATOM 445 CD PRO A 948 -1.606 24.753 4.510 1.00 0.00 C ATOM 0 HA PRO A 948 -0.300 22.003 3.814 1.00 0.00 H new ATOM 0 HB2 PRO A 948 1.302 23.607 5.566 1.00 0.00 H new ATOM 0 HB3 PRO A 948 1.131 23.879 3.843 1.00 0.00 H new ATOM 0 HG2 PRO A 948 -0.264 25.226 6.118 1.00 0.00 H new ATOM 0 HG3 PRO A 948 0.218 25.885 4.567 1.00 0.00 H new ATOM 0 HD2 PRO A 948 -2.368 25.307 5.059 1.00 0.00 H new ATOM 0 HD3 PRO A 948 -1.693 25.043 3.463 1.00 0.00 H new ATOM 453 N GLU A 949 -0.885 22.115 6.998 1.00 0.00 N ATOM 454 CA GLU A 949 -0.886 21.346 8.225 1.00 0.00 C ATOM 455 C GLU A 949 -1.452 19.946 8.003 1.00 0.00 C ATOM 456 O GLU A 949 -0.956 18.987 8.576 1.00 0.00 O ATOM 457 CB GLU A 949 -1.698 22.077 9.288 1.00 0.00 C ATOM 458 CG GLU A 949 -1.216 23.497 9.548 1.00 0.00 C ATOM 459 CD GLU A 949 0.273 23.569 9.831 1.00 0.00 C ATOM 460 OE1 GLU A 949 0.681 23.284 10.974 1.00 0.00 O ATOM 461 OE2 GLU A 949 1.042 23.918 8.909 1.00 0.00 O ATOM 0 H GLU A 949 -1.381 23.004 7.066 1.00 0.00 H new ATOM 0 HA GLU A 949 0.145 21.239 8.562 1.00 0.00 H new ATOM 0 HB2 GLU A 949 -2.743 22.107 8.979 1.00 0.00 H new ATOM 0 HB3 GLU A 949 -1.657 21.511 10.219 1.00 0.00 H new ATOM 0 HG2 GLU A 949 -1.447 24.119 8.683 1.00 0.00 H new ATOM 0 HG3 GLU A 949 -1.763 23.912 10.395 1.00 0.00 H new ATOM 468 N GLU A 950 -2.477 19.829 7.156 1.00 0.00 N ATOM 469 CA GLU A 950 -3.069 18.525 6.864 1.00 0.00 C ATOM 470 C GLU A 950 -2.504 17.914 5.585 1.00 0.00 C ATOM 471 O GLU A 950 -2.829 16.771 5.258 1.00 0.00 O ATOM 472 CB GLU A 950 -4.590 18.585 6.758 1.00 0.00 C ATOM 473 CG GLU A 950 -5.321 18.379 8.077 1.00 0.00 C ATOM 474 CD GLU A 950 -5.091 19.495 9.073 1.00 0.00 C ATOM 475 OE1 GLU A 950 -5.748 20.545 8.947 1.00 0.00 O ATOM 476 OE2 GLU A 950 -4.276 19.310 10.001 1.00 0.00 O ATOM 0 H GLU A 950 -2.909 20.612 6.666 1.00 0.00 H new ATOM 0 HA GLU A 950 -2.804 17.890 7.710 1.00 0.00 H new ATOM 0 HB2 GLU A 950 -4.875 19.553 6.346 1.00 0.00 H new ATOM 0 HB3 GLU A 950 -4.923 17.826 6.050 1.00 0.00 H new ATOM 0 HG2 GLU A 950 -6.390 18.291 7.882 1.00 0.00 H new ATOM 0 HG3 GLU A 950 -4.999 17.436 8.519 1.00 0.00 H new ATOM 483 N TYR A 951 -1.669 18.657 4.862 1.00 0.00 N ATOM 484 CA TYR A 951 -0.966 18.087 3.714 1.00 0.00 C ATOM 485 C TYR A 951 -0.148 16.891 4.172 1.00 0.00 C ATOM 486 O TYR A 951 -0.118 15.842 3.518 1.00 0.00 O ATOM 487 CB TYR A 951 -0.048 19.117 3.040 1.00 0.00 C ATOM 488 CG TYR A 951 -0.718 19.927 1.951 1.00 0.00 C ATOM 489 CD1 TYR A 951 -1.639 20.914 2.255 1.00 0.00 C ATOM 490 CD2 TYR A 951 -0.418 19.700 0.616 1.00 0.00 C ATOM 491 CE1 TYR A 951 -2.248 21.656 1.265 1.00 0.00 C ATOM 492 CE2 TYR A 951 -1.021 20.437 -0.386 1.00 0.00 C ATOM 493 CZ TYR A 951 -1.939 21.417 -0.055 1.00 0.00 C ATOM 494 OH TYR A 951 -2.542 22.163 -1.044 1.00 0.00 O ATOM 0 H TYR A 951 -1.464 19.639 5.046 1.00 0.00 H new ATOM 0 HA TYR A 951 -1.709 17.777 2.979 1.00 0.00 H new ATOM 0 HB2 TYR A 951 0.335 19.798 3.800 1.00 0.00 H new ATOM 0 HB3 TYR A 951 0.811 18.598 2.615 1.00 0.00 H new ATOM 0 HD1 TYR A 951 -1.886 21.107 3.289 1.00 0.00 H new ATOM 0 HD2 TYR A 951 0.298 18.935 0.355 1.00 0.00 H new ATOM 0 HE1 TYR A 951 -2.964 22.421 1.524 1.00 0.00 H new ATOM 0 HE2 TYR A 951 -0.777 20.249 -1.421 1.00 0.00 H new ATOM 0 HH TYR A 951 -2.214 21.870 -1.920 1.00 0.00 H new ATOM 504 N VAL A 952 0.499 17.042 5.315 1.00 0.00 N ATOM 505 CA VAL A 952 1.264 15.943 5.882 1.00 0.00 C ATOM 506 C VAL A 952 0.350 14.819 6.446 1.00 0.00 C ATOM 507 O VAL A 952 0.532 13.657 6.080 1.00 0.00 O ATOM 508 CB VAL A 952 2.351 16.425 6.899 1.00 0.00 C ATOM 509 CG1 VAL A 952 1.974 17.739 7.575 1.00 0.00 C ATOM 510 CG2 VAL A 952 2.648 15.356 7.945 1.00 0.00 C ATOM 0 H VAL A 952 0.511 17.902 5.863 1.00 0.00 H new ATOM 0 HA VAL A 952 1.818 15.492 5.059 1.00 0.00 H new ATOM 0 HB VAL A 952 3.256 16.604 6.318 1.00 0.00 H new ATOM 0 HG11 VAL A 952 2.761 18.029 8.271 1.00 0.00 H new ATOM 0 HG12 VAL A 952 1.853 18.515 6.819 1.00 0.00 H new ATOM 0 HG13 VAL A 952 1.038 17.613 8.119 1.00 0.00 H new ATOM 0 HG21 VAL A 952 3.407 15.724 8.635 1.00 0.00 H new ATOM 0 HG22 VAL A 952 1.737 15.124 8.497 1.00 0.00 H new ATOM 0 HG23 VAL A 952 3.012 14.455 7.451 1.00 0.00 H new ATOM 520 N PRO A 953 -0.648 15.118 7.323 1.00 0.00 N ATOM 521 CA PRO A 953 -1.619 14.112 7.802 1.00 0.00 C ATOM 522 C PRO A 953 -2.315 13.304 6.702 1.00 0.00 C ATOM 523 O PRO A 953 -2.517 12.106 6.866 1.00 0.00 O ATOM 524 CB PRO A 953 -2.655 14.948 8.529 1.00 0.00 C ATOM 525 CG PRO A 953 -1.882 16.094 9.047 1.00 0.00 C ATOM 526 CD PRO A 953 -0.863 16.396 7.985 1.00 0.00 C ATOM 0 HA PRO A 953 -1.107 13.360 8.402 1.00 0.00 H new ATOM 0 HB2 PRO A 953 -3.450 15.272 7.858 1.00 0.00 H new ATOM 0 HB3 PRO A 953 -3.128 14.387 9.335 1.00 0.00 H new ATOM 0 HG2 PRO A 953 -2.527 16.954 9.229 1.00 0.00 H new ATOM 0 HG3 PRO A 953 -1.402 15.849 9.995 1.00 0.00 H new ATOM 0 HD2 PRO A 953 -1.227 17.150 7.287 1.00 0.00 H new ATOM 0 HD3 PRO A 953 0.061 16.781 8.417 1.00 0.00 H new ATOM 534 N MET A 954 -2.711 13.942 5.601 1.00 0.00 N ATOM 535 CA MET A 954 -3.400 13.208 4.535 1.00 0.00 C ATOM 536 C MET A 954 -2.501 12.098 3.997 1.00 0.00 C ATOM 537 O MET A 954 -2.909 10.936 3.866 1.00 0.00 O ATOM 538 CB MET A 954 -3.852 14.130 3.390 1.00 0.00 C ATOM 539 CG MET A 954 -2.721 14.815 2.651 1.00 0.00 C ATOM 540 SD MET A 954 -3.217 15.457 1.045 1.00 0.00 S ATOM 541 CE MET A 954 -1.684 16.199 0.497 1.00 0.00 C ATOM 0 H MET A 954 -2.573 14.937 5.424 1.00 0.00 H new ATOM 0 HA MET A 954 -4.299 12.770 4.970 1.00 0.00 H new ATOM 0 HB2 MET A 954 -4.433 13.545 2.677 1.00 0.00 H new ATOM 0 HB3 MET A 954 -4.518 14.892 3.795 1.00 0.00 H new ATOM 0 HG2 MET A 954 -2.339 15.634 3.261 1.00 0.00 H new ATOM 0 HG3 MET A 954 -1.902 14.109 2.516 1.00 0.00 H new ATOM 0 HE1 MET A 954 -1.661 16.224 -0.592 1.00 0.00 H new ATOM 0 HE2 MET A 954 -1.613 17.215 0.885 1.00 0.00 H new ATOM 0 HE3 MET A 954 -0.843 15.611 0.864 1.00 0.00 H new ATOM 551 N VAL A 955 -1.273 12.453 3.667 1.00 0.00 N ATOM 552 CA VAL A 955 -0.319 11.438 3.266 1.00 0.00 C ATOM 553 C VAL A 955 -0.039 10.474 4.415 1.00 0.00 C ATOM 554 O VAL A 955 0.314 9.324 4.197 1.00 0.00 O ATOM 555 CB VAL A 955 1.005 12.016 2.735 1.00 0.00 C ATOM 556 CG1 VAL A 955 1.722 10.965 1.921 1.00 0.00 C ATOM 557 CG2 VAL A 955 0.772 13.256 1.895 1.00 0.00 C ATOM 0 H VAL A 955 -0.920 13.410 3.668 1.00 0.00 H new ATOM 0 HA VAL A 955 -0.785 10.902 2.439 1.00 0.00 H new ATOM 0 HB VAL A 955 1.620 12.305 3.588 1.00 0.00 H new ATOM 0 HG11 VAL A 955 2.660 11.373 1.545 1.00 0.00 H new ATOM 0 HG12 VAL A 955 1.930 10.098 2.548 1.00 0.00 H new ATOM 0 HG13 VAL A 955 1.095 10.664 1.082 1.00 0.00 H new ATOM 0 HG21 VAL A 955 1.728 13.638 1.537 1.00 0.00 H new ATOM 0 HG22 VAL A 955 0.139 13.005 1.044 1.00 0.00 H new ATOM 0 HG23 VAL A 955 0.281 14.018 2.500 1.00 0.00 H new ATOM 567 N LYS A 956 -0.197 10.942 5.642 1.00 0.00 N ATOM 568 CA LYS A 956 0.014 10.085 6.803 1.00 0.00 C ATOM 569 C LYS A 956 -1.028 8.970 6.802 1.00 0.00 C ATOM 570 O LYS A 956 -0.763 7.850 7.246 1.00 0.00 O ATOM 571 CB LYS A 956 -0.069 10.902 8.093 1.00 0.00 C ATOM 572 CG LYS A 956 0.353 10.145 9.343 1.00 0.00 C ATOM 573 CD LYS A 956 0.324 11.044 10.572 1.00 0.00 C ATOM 574 CE LYS A 956 1.289 12.216 10.435 1.00 0.00 C ATOM 575 NZ LYS A 956 1.262 13.107 11.627 1.00 0.00 N ATOM 0 H LYS A 956 -0.468 11.900 5.862 1.00 0.00 H new ATOM 0 HA LYS A 956 1.009 9.643 6.750 1.00 0.00 H new ATOM 0 HB2 LYS A 956 0.559 11.787 7.989 1.00 0.00 H new ATOM 0 HB3 LYS A 956 -1.093 11.251 8.223 1.00 0.00 H new ATOM 0 HG2 LYS A 956 -0.311 9.294 9.497 1.00 0.00 H new ATOM 0 HG3 LYS A 956 1.358 9.745 9.206 1.00 0.00 H new ATOM 0 HD2 LYS A 956 -0.687 11.421 10.724 1.00 0.00 H new ATOM 0 HD3 LYS A 956 0.583 10.461 11.456 1.00 0.00 H new ATOM 0 HE2 LYS A 956 2.301 11.837 10.289 1.00 0.00 H new ATOM 0 HE3 LYS A 956 1.034 12.793 9.546 1.00 0.00 H new ATOM 0 HZ1 LYS A 956 1.933 13.890 11.491 1.00 0.00 H new ATOM 0 HZ2 LYS A 956 0.303 13.490 11.752 1.00 0.00 H new ATOM 0 HZ3 LYS A 956 1.531 12.564 12.472 1.00 0.00 H new ATOM 589 N GLU A 957 -2.208 9.301 6.281 1.00 0.00 N ATOM 590 CA GLU A 957 -3.279 8.329 6.102 1.00 0.00 C ATOM 591 C GLU A 957 -2.793 7.146 5.256 1.00 0.00 C ATOM 592 O GLU A 957 -3.001 5.992 5.632 1.00 0.00 O ATOM 593 CB GLU A 957 -4.503 8.986 5.441 1.00 0.00 C ATOM 594 CG GLU A 957 -5.003 10.233 6.161 1.00 0.00 C ATOM 595 CD GLU A 957 -5.725 9.938 7.463 1.00 0.00 C ATOM 596 OE1 GLU A 957 -5.106 9.363 8.383 1.00 0.00 O ATOM 597 OE2 GLU A 957 -6.917 10.295 7.579 1.00 0.00 O ATOM 0 H GLU A 957 -2.445 10.244 5.974 1.00 0.00 H new ATOM 0 HA GLU A 957 -3.572 7.960 7.085 1.00 0.00 H new ATOM 0 HB2 GLU A 957 -4.251 9.249 4.414 1.00 0.00 H new ATOM 0 HB3 GLU A 957 -5.312 8.257 5.394 1.00 0.00 H new ATOM 0 HG2 GLU A 957 -4.156 10.888 6.366 1.00 0.00 H new ATOM 0 HG3 GLU A 957 -5.675 10.779 5.499 1.00 0.00 H new ATOM 604 N VAL A 958 -2.116 7.424 4.129 1.00 0.00 N ATOM 605 CA VAL A 958 -1.571 6.336 3.296 1.00 0.00 C ATOM 606 C VAL A 958 -0.414 5.602 3.998 1.00 0.00 C ATOM 607 O VAL A 958 -0.155 4.433 3.718 1.00 0.00 O ATOM 608 CB VAL A 958 -1.099 6.816 1.891 1.00 0.00 C ATOM 609 CG1 VAL A 958 -2.124 7.741 1.276 1.00 0.00 C ATOM 610 CG2 VAL A 958 0.247 7.505 1.945 1.00 0.00 C ATOM 0 H VAL A 958 -1.936 8.365 3.780 1.00 0.00 H new ATOM 0 HA VAL A 958 -2.402 5.646 3.152 1.00 0.00 H new ATOM 0 HB VAL A 958 -0.992 5.927 1.270 1.00 0.00 H new ATOM 0 HG11 VAL A 958 -1.778 8.067 0.295 1.00 0.00 H new ATOM 0 HG12 VAL A 958 -3.072 7.214 1.170 1.00 0.00 H new ATOM 0 HG13 VAL A 958 -2.262 8.610 1.919 1.00 0.00 H new ATOM 0 HG21 VAL A 958 0.534 7.822 0.942 1.00 0.00 H new ATOM 0 HG22 VAL A 958 0.184 8.376 2.597 1.00 0.00 H new ATOM 0 HG23 VAL A 958 0.994 6.814 2.335 1.00 0.00 H new ATOM 620 N GLY A 959 0.286 6.280 4.902 1.00 0.00 N ATOM 621 CA GLY A 959 1.395 5.640 5.596 1.00 0.00 C ATOM 622 C GLY A 959 0.930 4.663 6.662 1.00 0.00 C ATOM 623 O GLY A 959 1.462 3.556 6.776 1.00 0.00 O ATOM 0 H GLY A 959 0.111 7.249 5.166 1.00 0.00 H new ATOM 0 HA2 GLY A 959 2.017 5.113 4.872 1.00 0.00 H new ATOM 0 HA3 GLY A 959 2.020 6.405 6.057 1.00 0.00 H new ATOM 627 N LEU A 960 -0.064 5.074 7.445 1.00 0.00 N ATOM 628 CA LEU A 960 -0.717 4.177 8.397 1.00 0.00 C ATOM 629 C LEU A 960 -1.333 2.992 7.674 1.00 0.00 C ATOM 630 O LEU A 960 -1.518 1.924 8.255 1.00 0.00 O ATOM 631 CB LEU A 960 -1.788 4.927 9.194 1.00 0.00 C ATOM 632 CG LEU A 960 -1.268 6.082 10.051 1.00 0.00 C ATOM 633 CD1 LEU A 960 -2.420 6.787 10.753 1.00 0.00 C ATOM 634 CD2 LEU A 960 -0.250 5.581 11.067 1.00 0.00 C ATOM 0 H LEU A 960 -0.436 6.024 7.440 1.00 0.00 H new ATOM 0 HA LEU A 960 0.037 3.807 9.092 1.00 0.00 H new ATOM 0 HB2 LEU A 960 -2.530 5.317 8.498 1.00 0.00 H new ATOM 0 HB3 LEU A 960 -2.301 4.216 9.842 1.00 0.00 H new ATOM 0 HG LEU A 960 -0.773 6.799 9.395 1.00 0.00 H new ATOM 0 HD11 LEU A 960 -2.031 7.606 11.358 1.00 0.00 H new ATOM 0 HD12 LEU A 960 -3.112 7.182 10.009 1.00 0.00 H new ATOM 0 HD13 LEU A 960 -2.943 6.078 11.395 1.00 0.00 H new ATOM 0 HD21 LEU A 960 0.108 6.418 11.667 1.00 0.00 H new ATOM 0 HD22 LEU A 960 -0.718 4.842 11.718 1.00 0.00 H new ATOM 0 HD23 LEU A 960 0.590 5.123 10.545 1.00 0.00 H new ATOM 646 N ALA A 961 -1.643 3.197 6.408 1.00 0.00 N ATOM 647 CA ALA A 961 -2.131 2.125 5.563 1.00 0.00 C ATOM 648 C ALA A 961 -1.076 1.032 5.398 1.00 0.00 C ATOM 649 O ALA A 961 -1.370 -0.134 5.640 1.00 0.00 O ATOM 650 CB ALA A 961 -2.568 2.658 4.228 1.00 0.00 C ATOM 0 H ALA A 961 -1.565 4.100 5.941 1.00 0.00 H new ATOM 0 HA ALA A 961 -2.998 1.679 6.050 1.00 0.00 H new ATOM 0 HB1 ALA A 961 -2.931 1.837 3.609 1.00 0.00 H new ATOM 0 HB2 ALA A 961 -3.367 3.385 4.371 1.00 0.00 H new ATOM 0 HB3 ALA A 961 -1.724 3.139 3.734 1.00 0.00 H new ATOM 656 N LEU A 962 0.149 1.394 4.984 1.00 0.00 N ATOM 657 CA LEU A 962 1.242 0.430 4.955 1.00 0.00 C ATOM 658 C LEU A 962 1.411 -0.255 6.310 1.00 0.00 C ATOM 659 O LEU A 962 1.582 -1.466 6.378 1.00 0.00 O ATOM 660 CB LEU A 962 2.550 1.107 4.540 1.00 0.00 C ATOM 661 CG LEU A 962 3.827 0.318 4.854 1.00 0.00 C ATOM 662 CD1 LEU A 962 3.867 -0.981 4.066 1.00 0.00 C ATOM 663 CD2 LEU A 962 5.060 1.161 4.563 1.00 0.00 C ATOM 0 H LEU A 962 0.397 2.333 4.671 1.00 0.00 H new ATOM 0 HA LEU A 962 0.991 -0.331 4.216 1.00 0.00 H new ATOM 0 HB2 LEU A 962 2.516 1.299 3.468 1.00 0.00 H new ATOM 0 HB3 LEU A 962 2.611 2.076 5.035 1.00 0.00 H new ATOM 0 HG LEU A 962 3.822 0.070 5.915 1.00 0.00 H new ATOM 0 HD11 LEU A 962 4.782 -1.524 4.305 1.00 0.00 H new ATOM 0 HD12 LEU A 962 3.003 -1.592 4.328 1.00 0.00 H new ATOM 0 HD13 LEU A 962 3.845 -0.760 2.999 1.00 0.00 H new ATOM 0 HD21 LEU A 962 5.957 0.585 4.792 1.00 0.00 H new ATOM 0 HD22 LEU A 962 5.068 1.442 3.510 1.00 0.00 H new ATOM 0 HD23 LEU A 962 5.040 2.060 5.179 1.00 0.00 H new ATOM 675 N ARG A 963 1.373 0.524 7.384 1.00 0.00 N ATOM 676 CA ARG A 963 1.465 -0.031 8.738 1.00 0.00 C ATOM 677 C ARG A 963 0.376 -1.077 8.980 1.00 0.00 C ATOM 678 O ARG A 963 0.661 -2.209 9.373 1.00 0.00 O ATOM 679 CB ARG A 963 1.355 1.083 9.782 1.00 0.00 C ATOM 680 CG ARG A 963 2.512 2.070 9.756 1.00 0.00 C ATOM 681 CD ARG A 963 3.843 1.382 10.014 1.00 0.00 C ATOM 682 NE ARG A 963 3.870 0.691 11.304 1.00 0.00 N ATOM 683 CZ ARG A 963 4.830 -0.160 11.673 1.00 0.00 C ATOM 684 NH1 ARG A 963 5.860 -0.404 10.867 1.00 0.00 N ATOM 685 NH2 ARG A 963 4.767 -0.763 12.854 1.00 0.00 N ATOM 0 H ARG A 963 1.280 1.539 7.349 1.00 0.00 H new ATOM 0 HA ARG A 963 2.437 -0.516 8.833 1.00 0.00 H new ATOM 0 HB2 ARG A 963 0.424 1.626 9.622 1.00 0.00 H new ATOM 0 HB3 ARG A 963 1.296 0.634 10.773 1.00 0.00 H new ATOM 0 HG2 ARG A 963 2.542 2.570 8.788 1.00 0.00 H new ATOM 0 HG3 ARG A 963 2.349 2.842 10.508 1.00 0.00 H new ATOM 0 HD2 ARG A 963 4.040 0.666 9.216 1.00 0.00 H new ATOM 0 HD3 ARG A 963 4.644 2.121 9.983 1.00 0.00 H new ATOM 0 HE ARG A 963 3.110 0.870 11.960 1.00 0.00 H new ATOM 0 HH11 ARG A 963 5.920 0.060 9.961 1.00 0.00 H new ATOM 0 HH12 ARG A 963 6.590 -1.055 11.155 1.00 0.00 H new ATOM 0 HH21 ARG A 963 3.984 -0.576 13.481 1.00 0.00 H new ATOM 0 HH22 ARG A 963 5.501 -1.413 13.135 1.00 0.00 H new ATOM 699 N THR A 964 -0.868 -0.681 8.762 1.00 0.00 N ATOM 700 CA THR A 964 -1.992 -1.608 8.846 1.00 0.00 C ATOM 701 C THR A 964 -1.763 -2.831 7.947 1.00 0.00 C ATOM 702 O THR A 964 -1.993 -3.983 8.349 1.00 0.00 O ATOM 703 CB THR A 964 -3.309 -0.908 8.456 1.00 0.00 C ATOM 704 OG1 THR A 964 -3.471 0.282 9.242 1.00 0.00 O ATOM 705 CG2 THR A 964 -4.504 -1.827 8.676 1.00 0.00 C ATOM 0 H THR A 964 -1.128 0.276 8.525 1.00 0.00 H new ATOM 0 HA THR A 964 -2.067 -1.945 9.880 1.00 0.00 H new ATOM 0 HB THR A 964 -3.261 -0.652 7.397 1.00 0.00 H new ATOM 0 HG1 THR A 964 -2.897 0.991 8.884 1.00 0.00 H new ATOM 0 HG21 THR A 964 -5.419 -1.308 8.393 1.00 0.00 H new ATOM 0 HG22 THR A 964 -4.391 -2.723 8.065 1.00 0.00 H new ATOM 0 HG23 THR A 964 -4.557 -2.109 9.728 1.00 0.00 H new ATOM 713 N LEU A 965 -1.276 -2.572 6.743 1.00 0.00 N ATOM 714 CA LEU A 965 -0.987 -3.623 5.781 1.00 0.00 C ATOM 715 C LEU A 965 0.080 -4.563 6.320 1.00 0.00 C ATOM 716 O LEU A 965 0.024 -5.764 6.096 1.00 0.00 O ATOM 717 CB LEU A 965 -0.533 -3.013 4.453 1.00 0.00 C ATOM 718 CG LEU A 965 -0.068 -4.018 3.405 1.00 0.00 C ATOM 719 CD1 LEU A 965 -1.147 -5.053 3.151 1.00 0.00 C ATOM 720 CD2 LEU A 965 0.309 -3.305 2.116 1.00 0.00 C ATOM 0 H LEU A 965 -1.071 -1.631 6.407 1.00 0.00 H new ATOM 0 HA LEU A 965 -1.898 -4.197 5.612 1.00 0.00 H new ATOM 0 HB2 LEU A 965 -1.357 -2.433 4.037 1.00 0.00 H new ATOM 0 HB3 LEU A 965 0.281 -2.315 4.651 1.00 0.00 H new ATOM 0 HG LEU A 965 0.817 -4.531 3.782 1.00 0.00 H new ATOM 0 HD11 LEU A 965 -0.800 -5.763 2.401 1.00 0.00 H new ATOM 0 HD12 LEU A 965 -1.368 -5.583 4.077 1.00 0.00 H new ATOM 0 HD13 LEU A 965 -2.049 -4.558 2.792 1.00 0.00 H new ATOM 0 HD21 LEU A 965 0.639 -4.037 1.378 1.00 0.00 H new ATOM 0 HD22 LEU A 965 -0.557 -2.767 1.731 1.00 0.00 H new ATOM 0 HD23 LEU A 965 1.116 -2.600 2.313 1.00 0.00 H new ATOM 732 N LEU A 966 1.043 -3.993 7.027 1.00 0.00 N ATOM 733 CA LEU A 966 2.124 -4.760 7.651 1.00 0.00 C ATOM 734 C LEU A 966 1.569 -5.892 8.520 1.00 0.00 C ATOM 735 O LEU A 966 2.146 -6.978 8.579 1.00 0.00 O ATOM 736 CB LEU A 966 3.024 -3.852 8.489 1.00 0.00 C ATOM 737 CG LEU A 966 4.213 -4.550 9.153 1.00 0.00 C ATOM 738 CD1 LEU A 966 5.165 -5.111 8.105 1.00 0.00 C ATOM 739 CD2 LEU A 966 4.941 -3.590 10.078 1.00 0.00 C ATOM 0 H LEU A 966 1.103 -2.988 7.188 1.00 0.00 H new ATOM 0 HA LEU A 966 2.718 -5.199 6.850 1.00 0.00 H new ATOM 0 HB2 LEU A 966 3.402 -3.053 7.852 1.00 0.00 H new ATOM 0 HB3 LEU A 966 2.419 -3.382 9.265 1.00 0.00 H new ATOM 0 HG LEU A 966 3.834 -5.382 9.746 1.00 0.00 H new ATOM 0 HD11 LEU A 966 6.002 -5.603 8.600 1.00 0.00 H new ATOM 0 HD12 LEU A 966 4.637 -5.833 7.483 1.00 0.00 H new ATOM 0 HD13 LEU A 966 5.538 -4.299 7.481 1.00 0.00 H new ATOM 0 HD21 LEU A 966 5.784 -4.101 10.543 1.00 0.00 H new ATOM 0 HD22 LEU A 966 5.305 -2.738 9.504 1.00 0.00 H new ATOM 0 HD23 LEU A 966 4.257 -3.241 10.852 1.00 0.00 H new ATOM 751 N ALA A 967 0.450 -5.639 9.192 1.00 0.00 N ATOM 752 CA ALA A 967 -0.221 -6.683 9.963 1.00 0.00 C ATOM 753 C ALA A 967 -0.673 -7.816 9.042 1.00 0.00 C ATOM 754 O ALA A 967 -0.472 -8.994 9.336 1.00 0.00 O ATOM 755 CB ALA A 967 -1.403 -6.106 10.727 1.00 0.00 C ATOM 0 H ALA A 967 -0.009 -4.729 9.219 1.00 0.00 H new ATOM 0 HA ALA A 967 0.486 -7.089 10.687 1.00 0.00 H new ATOM 0 HB1 ALA A 967 -1.891 -6.898 11.295 1.00 0.00 H new ATOM 0 HB2 ALA A 967 -1.052 -5.332 11.410 1.00 0.00 H new ATOM 0 HB3 ALA A 967 -2.115 -5.673 10.024 1.00 0.00 H new ATOM 761 N THR A 968 -1.264 -7.453 7.914 1.00 0.00 N ATOM 762 CA THR A 968 -1.626 -8.439 6.900 1.00 0.00 C ATOM 763 C THR A 968 -0.381 -9.082 6.274 1.00 0.00 C ATOM 764 O THR A 968 -0.388 -10.258 5.907 1.00 0.00 O ATOM 765 CB THR A 968 -2.504 -7.812 5.811 1.00 0.00 C ATOM 766 OG1 THR A 968 -3.820 -7.619 6.323 1.00 0.00 O ATOM 767 CG2 THR A 968 -2.573 -8.686 4.579 1.00 0.00 C ATOM 0 H THR A 968 -1.503 -6.490 7.676 1.00 0.00 H new ATOM 0 HA THR A 968 -2.198 -9.222 7.398 1.00 0.00 H new ATOM 0 HB THR A 968 -2.060 -6.858 5.526 1.00 0.00 H new ATOM 0 HG1 THR A 968 -3.791 -7.607 7.303 1.00 0.00 H new ATOM 0 HG21 THR A 968 -3.204 -8.209 3.829 1.00 0.00 H new ATOM 0 HG22 THR A 968 -1.570 -8.824 4.174 1.00 0.00 H new ATOM 0 HG23 THR A 968 -2.994 -9.656 4.844 1.00 0.00 H new ATOM 775 N VAL A 969 0.679 -8.302 6.147 1.00 0.00 N ATOM 776 CA VAL A 969 1.971 -8.826 5.713 1.00 0.00 C ATOM 777 C VAL A 969 2.413 -9.979 6.617 1.00 0.00 C ATOM 778 O VAL A 969 3.064 -10.913 6.165 1.00 0.00 O ATOM 779 CB VAL A 969 3.058 -7.725 5.696 1.00 0.00 C ATOM 780 CG1 VAL A 969 4.434 -8.307 5.408 1.00 0.00 C ATOM 781 CG2 VAL A 969 2.715 -6.655 4.672 1.00 0.00 C ATOM 0 H VAL A 969 0.674 -7.300 6.338 1.00 0.00 H new ATOM 0 HA VAL A 969 1.847 -9.194 4.695 1.00 0.00 H new ATOM 0 HB VAL A 969 3.086 -7.271 6.687 1.00 0.00 H new ATOM 0 HG11 VAL A 969 5.174 -7.507 5.403 1.00 0.00 H new ATOM 0 HG12 VAL A 969 4.690 -9.034 6.179 1.00 0.00 H new ATOM 0 HG13 VAL A 969 4.425 -8.798 4.435 1.00 0.00 H new ATOM 0 HG21 VAL A 969 3.490 -5.888 4.673 1.00 0.00 H new ATOM 0 HG22 VAL A 969 2.652 -7.106 3.682 1.00 0.00 H new ATOM 0 HG23 VAL A 969 1.757 -6.202 4.926 1.00 0.00 H new ATOM 791 N ASP A 970 2.027 -9.913 7.886 1.00 0.00 N ATOM 792 CA ASP A 970 2.336 -10.970 8.851 1.00 0.00 C ATOM 793 C ASP A 970 1.430 -12.178 8.655 1.00 0.00 C ATOM 794 O ASP A 970 1.777 -13.281 9.043 1.00 0.00 O ATOM 795 CB ASP A 970 2.225 -10.419 10.278 1.00 0.00 C ATOM 796 CG ASP A 970 2.344 -11.485 11.348 1.00 0.00 C ATOM 797 OD1 ASP A 970 3.437 -12.071 11.510 1.00 0.00 O ATOM 798 OD2 ASP A 970 1.339 -11.733 12.047 1.00 0.00 O ATOM 0 H ASP A 970 1.496 -9.134 8.276 1.00 0.00 H new ATOM 0 HA ASP A 970 3.360 -11.305 8.685 1.00 0.00 H new ATOM 0 HB2 ASP A 970 3.004 -9.672 10.432 1.00 0.00 H new ATOM 0 HB3 ASP A 970 1.268 -9.909 10.389 1.00 0.00 H new ATOM 803 N GLU A 971 0.277 -11.965 8.048 1.00 0.00 N ATOM 804 CA GLU A 971 -0.573 -13.077 7.617 1.00 0.00 C ATOM 805 C GLU A 971 0.121 -13.802 6.460 1.00 0.00 C ATOM 806 O GLU A 971 0.311 -15.032 6.448 1.00 0.00 O ATOM 807 CB GLU A 971 -1.933 -12.559 7.146 1.00 0.00 C ATOM 808 CG GLU A 971 -2.609 -11.613 8.123 1.00 0.00 C ATOM 809 CD GLU A 971 -3.045 -12.297 9.399 1.00 0.00 C ATOM 810 OE1 GLU A 971 -3.626 -13.399 9.317 1.00 0.00 O ATOM 811 OE2 GLU A 971 -2.820 -11.731 10.488 1.00 0.00 O ATOM 0 H GLU A 971 -0.098 -11.039 7.840 1.00 0.00 H new ATOM 0 HA GLU A 971 -0.730 -13.757 8.454 1.00 0.00 H new ATOM 0 HB2 GLU A 971 -1.804 -12.048 6.192 1.00 0.00 H new ATOM 0 HB3 GLU A 971 -2.591 -13.409 6.966 1.00 0.00 H new ATOM 0 HG2 GLU A 971 -1.924 -10.801 8.368 1.00 0.00 H new ATOM 0 HG3 GLU A 971 -3.478 -11.163 7.643 1.00 0.00 H new ATOM 818 N SER A 972 0.517 -13.004 5.492 1.00 0.00 N ATOM 819 CA SER A 972 1.231 -13.480 4.330 1.00 0.00 C ATOM 820 C SER A 972 2.607 -14.026 4.708 1.00 0.00 C ATOM 821 O SER A 972 3.173 -14.827 3.977 1.00 0.00 O ATOM 822 CB SER A 972 1.354 -12.358 3.305 1.00 0.00 C ATOM 823 OG SER A 972 2.111 -12.771 2.190 1.00 0.00 O ATOM 0 H SER A 972 0.350 -11.998 5.491 1.00 0.00 H new ATOM 0 HA SER A 972 0.666 -14.302 3.890 1.00 0.00 H new ATOM 0 HB2 SER A 972 0.361 -12.048 2.980 1.00 0.00 H new ATOM 0 HB3 SER A 972 1.824 -11.490 3.766 1.00 0.00 H new ATOM 0 HG SER A 972 2.985 -12.328 2.206 1.00 0.00 H new ATOM 829 N LEU A 973 3.154 -13.558 5.822 1.00 0.00 N ATOM 830 CA LEU A 973 4.498 -13.940 6.252 1.00 0.00 C ATOM 831 C LEU A 973 4.630 -15.448 6.507 1.00 0.00 C ATOM 832 O LEU A 973 5.576 -16.041 6.022 1.00 0.00 O ATOM 833 CB LEU A 973 4.908 -13.137 7.489 1.00 0.00 C ATOM 834 CG LEU A 973 6.353 -13.324 7.946 1.00 0.00 C ATOM 835 CD1 LEU A 973 7.314 -12.899 6.849 1.00 0.00 C ATOM 836 CD2 LEU A 973 6.607 -12.532 9.216 1.00 0.00 C ATOM 0 H LEU A 973 2.685 -12.907 6.451 1.00 0.00 H new ATOM 0 HA LEU A 973 5.178 -13.704 5.434 1.00 0.00 H new ATOM 0 HB2 LEU A 973 4.744 -12.079 7.284 1.00 0.00 H new ATOM 0 HB3 LEU A 973 4.247 -13.408 8.312 1.00 0.00 H new ATOM 0 HG LEU A 973 6.520 -14.380 8.157 1.00 0.00 H new ATOM 0 HD11 LEU A 973 8.340 -13.038 7.190 1.00 0.00 H new ATOM 0 HD12 LEU A 973 7.142 -13.505 5.960 1.00 0.00 H new ATOM 0 HD13 LEU A 973 7.151 -11.848 6.609 1.00 0.00 H new ATOM 0 HD21 LEU A 973 7.641 -12.673 9.532 1.00 0.00 H new ATOM 0 HD22 LEU A 973 6.427 -11.474 9.027 1.00 0.00 H new ATOM 0 HD23 LEU A 973 5.936 -12.880 10.002 1.00 0.00 H new ATOM 848 N PRO A 974 3.727 -16.114 7.266 1.00 0.00 N ATOM 849 CA PRO A 974 3.736 -17.578 7.332 1.00 0.00 C ATOM 850 C PRO A 974 3.484 -18.177 5.956 1.00 0.00 C ATOM 851 O PRO A 974 3.957 -19.275 5.631 1.00 0.00 O ATOM 852 CB PRO A 974 2.593 -17.920 8.292 1.00 0.00 C ATOM 853 CG PRO A 974 2.388 -16.679 9.077 1.00 0.00 C ATOM 854 CD PRO A 974 2.701 -15.555 8.135 1.00 0.00 C ATOM 0 HA PRO A 974 4.693 -17.976 7.668 1.00 0.00 H new ATOM 0 HB2 PRO A 974 1.690 -18.202 7.750 1.00 0.00 H new ATOM 0 HB3 PRO A 974 2.853 -18.760 8.937 1.00 0.00 H new ATOM 0 HG2 PRO A 974 1.364 -16.611 9.443 1.00 0.00 H new ATOM 0 HG3 PRO A 974 3.041 -16.654 9.949 1.00 0.00 H new ATOM 0 HD2 PRO A 974 1.821 -15.248 7.570 1.00 0.00 H new ATOM 0 HD3 PRO A 974 3.062 -14.675 8.667 1.00 0.00 H new ATOM 862 N VAL A 975 2.763 -17.433 5.122 1.00 0.00 N ATOM 863 CA VAL A 975 2.550 -17.883 3.749 1.00 0.00 C ATOM 864 C VAL A 975 3.810 -17.642 2.902 1.00 0.00 C ATOM 865 O VAL A 975 3.917 -18.122 1.773 1.00 0.00 O ATOM 866 CB VAL A 975 1.331 -17.210 3.094 1.00 0.00 C ATOM 867 CG1 VAL A 975 0.856 -18.034 1.910 1.00 0.00 C ATOM 868 CG2 VAL A 975 0.208 -17.035 4.098 1.00 0.00 C ATOM 0 H VAL A 975 2.328 -16.542 5.362 1.00 0.00 H new ATOM 0 HA VAL A 975 2.345 -18.953 3.792 1.00 0.00 H new ATOM 0 HB VAL A 975 1.629 -16.222 2.742 1.00 0.00 H new ATOM 0 HG11 VAL A 975 -0.007 -17.550 1.453 1.00 0.00 H new ATOM 0 HG12 VAL A 975 1.658 -18.113 1.177 1.00 0.00 H new ATOM 0 HG13 VAL A 975 0.575 -19.031 2.250 1.00 0.00 H new ATOM 0 HG21 VAL A 975 -0.643 -16.557 3.612 1.00 0.00 H new ATOM 0 HG22 VAL A 975 -0.093 -18.010 4.481 1.00 0.00 H new ATOM 0 HG23 VAL A 975 0.552 -16.412 4.923 1.00 0.00 H new ATOM 878 N LEU A 976 4.763 -16.901 3.461 1.00 0.00 N ATOM 879 CA LEU A 976 6.047 -16.653 2.810 1.00 0.00 C ATOM 880 C LEU A 976 6.883 -17.937 2.723 1.00 0.00 C ATOM 881 O LEU A 976 7.306 -18.298 1.624 1.00 0.00 O ATOM 882 CB LEU A 976 6.795 -15.496 3.512 1.00 0.00 C ATOM 883 CG LEU A 976 8.276 -15.288 3.163 1.00 0.00 C ATOM 884 CD1 LEU A 976 8.659 -13.833 3.371 1.00 0.00 C ATOM 885 CD2 LEU A 976 9.178 -16.163 4.021 1.00 0.00 C ATOM 0 H LEU A 976 4.668 -16.457 4.374 1.00 0.00 H new ATOM 0 HA LEU A 976 5.865 -16.338 1.782 1.00 0.00 H new ATOM 0 HB2 LEU A 976 6.265 -14.570 3.290 1.00 0.00 H new ATOM 0 HB3 LEU A 976 6.723 -15.654 4.588 1.00 0.00 H new ATOM 0 HG LEU A 976 8.410 -15.567 2.118 1.00 0.00 H new ATOM 0 HD11 LEU A 976 9.711 -13.694 3.121 1.00 0.00 H new ATOM 0 HD12 LEU A 976 8.047 -13.200 2.728 1.00 0.00 H new ATOM 0 HD13 LEU A 976 8.494 -13.559 4.413 1.00 0.00 H new ATOM 0 HD21 LEU A 976 10.219 -15.991 3.748 1.00 0.00 H new ATOM 0 HD22 LEU A 976 9.033 -15.914 5.072 1.00 0.00 H new ATOM 0 HD23 LEU A 976 8.929 -17.212 3.858 1.00 0.00 H new ATOM 897 N PRO A 977 7.137 -18.665 3.846 1.00 0.00 N ATOM 898 CA PRO A 977 7.826 -19.956 3.780 1.00 0.00 C ATOM 899 C PRO A 977 7.018 -20.965 2.986 1.00 0.00 C ATOM 900 O PRO A 977 7.559 -21.931 2.453 1.00 0.00 O ATOM 901 CB PRO A 977 7.956 -20.397 5.241 1.00 0.00 C ATOM 902 CG PRO A 977 7.768 -19.156 6.033 1.00 0.00 C ATOM 903 CD PRO A 977 6.824 -18.308 5.235 1.00 0.00 C ATOM 0 HA PRO A 977 8.792 -19.881 3.280 1.00 0.00 H new ATOM 0 HB2 PRO A 977 7.206 -21.146 5.496 1.00 0.00 H new ATOM 0 HB3 PRO A 977 8.931 -20.844 5.433 1.00 0.00 H new ATOM 0 HG2 PRO A 977 7.358 -19.378 7.018 1.00 0.00 H new ATOM 0 HG3 PRO A 977 8.717 -18.644 6.191 1.00 0.00 H new ATOM 0 HD2 PRO A 977 5.784 -18.524 5.481 1.00 0.00 H new ATOM 0 HD3 PRO A 977 6.982 -17.246 5.422 1.00 0.00 H new ATOM 911 N ALA A 978 5.708 -20.745 2.927 1.00 0.00 N ATOM 912 CA ALA A 978 4.855 -21.552 2.073 1.00 0.00 C ATOM 913 C ALA A 978 5.214 -21.341 0.600 1.00 0.00 C ATOM 914 O ALA A 978 5.554 -22.294 -0.098 1.00 0.00 O ATOM 915 CB ALA A 978 3.390 -21.231 2.320 1.00 0.00 C ATOM 0 H ALA A 978 5.221 -20.021 3.456 1.00 0.00 H new ATOM 0 HA ALA A 978 5.019 -22.601 2.318 1.00 0.00 H new ATOM 0 HB1 ALA A 978 2.768 -21.847 1.670 1.00 0.00 H new ATOM 0 HB2 ALA A 978 3.143 -21.438 3.361 1.00 0.00 H new ATOM 0 HB3 ALA A 978 3.207 -20.178 2.106 1.00 0.00 H new ATOM 921 N SER A 979 5.165 -20.088 0.144 1.00 0.00 N ATOM 922 CA SER A 979 5.423 -19.763 -1.264 1.00 0.00 C ATOM 923 C SER A 979 5.576 -18.249 -1.497 1.00 0.00 C ATOM 924 O SER A 979 6.342 -17.820 -2.359 1.00 0.00 O ATOM 925 CB SER A 979 4.287 -20.307 -2.137 1.00 0.00 C ATOM 926 OG SER A 979 4.454 -21.689 -2.410 1.00 0.00 O ATOM 0 H SER A 979 4.949 -19.280 0.728 1.00 0.00 H new ATOM 0 HA SER A 979 6.367 -20.233 -1.539 1.00 0.00 H new ATOM 0 HB2 SER A 979 3.333 -20.148 -1.635 1.00 0.00 H new ATOM 0 HB3 SER A 979 4.250 -19.752 -3.075 1.00 0.00 H new ATOM 0 HG SER A 979 5.062 -22.082 -1.749 1.00 0.00 H new ATOM 932 N THR A 980 4.844 -17.456 -0.722 1.00 0.00 N ATOM 933 CA THR A 980 4.783 -15.993 -0.886 1.00 0.00 C ATOM 934 C THR A 980 6.149 -15.290 -0.860 1.00 0.00 C ATOM 935 O THR A 980 6.266 -14.168 -1.354 1.00 0.00 O ATOM 936 CB THR A 980 3.893 -15.359 0.184 1.00 0.00 C ATOM 937 OG1 THR A 980 2.684 -16.111 0.293 1.00 0.00 O ATOM 938 CG2 THR A 980 3.569 -13.921 -0.180 1.00 0.00 C ATOM 0 H THR A 980 4.269 -17.805 0.045 1.00 0.00 H new ATOM 0 HA THR A 980 4.364 -15.848 -1.882 1.00 0.00 H new ATOM 0 HB THR A 980 4.421 -15.366 1.137 1.00 0.00 H new ATOM 0 HG1 THR A 980 2.853 -16.930 0.805 1.00 0.00 H new ATOM 0 HG21 THR A 980 2.935 -13.484 0.592 1.00 0.00 H new ATOM 0 HG22 THR A 980 4.493 -13.348 -0.257 1.00 0.00 H new ATOM 0 HG23 THR A 980 3.046 -13.897 -1.136 1.00 0.00 H new ATOM 946 N HIS A 981 7.167 -15.953 -0.311 1.00 0.00 N ATOM 947 CA HIS A 981 8.511 -15.370 -0.125 1.00 0.00 C ATOM 948 C HIS A 981 9.051 -14.684 -1.388 1.00 0.00 C ATOM 949 O HIS A 981 9.941 -13.848 -1.300 1.00 0.00 O ATOM 950 CB HIS A 981 9.484 -16.478 0.317 1.00 0.00 C ATOM 951 CG HIS A 981 10.920 -16.053 0.481 1.00 0.00 C ATOM 952 ND1 HIS A 981 11.347 -15.176 1.456 1.00 0.00 N ATOM 953 CD2 HIS A 981 12.029 -16.416 -0.204 1.00 0.00 C ATOM 954 CE1 HIS A 981 12.655 -15.020 1.361 1.00 0.00 C ATOM 955 NE2 HIS A 981 13.096 -15.763 0.364 1.00 0.00 N ATOM 0 H HIS A 981 7.090 -16.914 0.021 1.00 0.00 H new ATOM 0 HA HIS A 981 8.426 -14.598 0.640 1.00 0.00 H new ATOM 0 HB2 HIS A 981 9.134 -16.888 1.265 1.00 0.00 H new ATOM 0 HB3 HIS A 981 9.444 -17.286 -0.414 1.00 0.00 H new ATOM 0 HD2 HIS A 981 12.068 -17.095 -1.043 1.00 0.00 H new ATOM 0 HE1 HIS A 981 13.262 -14.390 1.994 1.00 0.00 H new ATOM 0 HE2 HIS A 981 14.068 -15.840 0.065 1.00 0.00 H new ATOM 964 N ARG A 982 8.511 -15.020 -2.541 1.00 0.00 N ATOM 965 CA ARG A 982 8.961 -14.397 -3.782 1.00 0.00 C ATOM 966 C ARG A 982 8.378 -12.978 -3.940 1.00 0.00 C ATOM 967 O ARG A 982 9.121 -11.996 -4.060 1.00 0.00 O ATOM 968 CB ARG A 982 8.556 -15.273 -4.969 1.00 0.00 C ATOM 969 CG ARG A 982 8.801 -14.637 -6.325 1.00 0.00 C ATOM 970 CD ARG A 982 8.402 -15.576 -7.448 1.00 0.00 C ATOM 971 NE ARG A 982 8.397 -14.905 -8.744 1.00 0.00 N ATOM 972 CZ ARG A 982 9.221 -15.202 -9.743 1.00 0.00 C ATOM 973 NH1 ARG A 982 10.141 -16.147 -9.589 1.00 0.00 N ATOM 974 NH2 ARG A 982 9.127 -14.554 -10.894 1.00 0.00 N ATOM 0 H ARG A 982 7.769 -15.711 -2.652 1.00 0.00 H new ATOM 0 HA ARG A 982 10.047 -14.306 -3.750 1.00 0.00 H new ATOM 0 HB2 ARG A 982 9.106 -16.213 -4.917 1.00 0.00 H new ATOM 0 HB3 ARG A 982 7.497 -15.518 -4.881 1.00 0.00 H new ATOM 0 HG2 ARG A 982 8.234 -13.710 -6.403 1.00 0.00 H new ATOM 0 HG3 ARG A 982 9.855 -14.375 -6.423 1.00 0.00 H new ATOM 0 HD2 ARG A 982 9.092 -16.419 -7.479 1.00 0.00 H new ATOM 0 HD3 ARG A 982 7.411 -15.983 -7.246 1.00 0.00 H new ATOM 0 HE ARG A 982 7.717 -14.160 -8.892 1.00 0.00 H new ATOM 0 HH11 ARG A 982 10.216 -16.646 -8.703 1.00 0.00 H new ATOM 0 HH12 ARG A 982 10.773 -16.374 -10.357 1.00 0.00 H new ATOM 0 HH21 ARG A 982 8.422 -13.827 -11.014 1.00 0.00 H new ATOM 0 HH22 ARG A 982 9.760 -14.782 -11.661 1.00 0.00 H new ATOM 988 N GLU A 983 7.054 -12.866 -3.882 1.00 0.00 N ATOM 989 CA GLU A 983 6.393 -11.577 -4.082 1.00 0.00 C ATOM 990 C GLU A 983 6.431 -10.697 -2.851 1.00 0.00 C ATOM 991 O GLU A 983 6.661 -9.491 -2.953 1.00 0.00 O ATOM 992 CB GLU A 983 4.942 -11.744 -4.500 1.00 0.00 C ATOM 993 CG GLU A 983 4.699 -11.497 -5.976 1.00 0.00 C ATOM 994 CD GLU A 983 4.032 -12.671 -6.658 1.00 0.00 C ATOM 995 OE1 GLU A 983 4.699 -13.711 -6.849 1.00 0.00 O ATOM 996 OE2 GLU A 983 2.842 -12.568 -7.007 1.00 0.00 O ATOM 0 H GLU A 983 6.421 -13.644 -3.700 1.00 0.00 H new ATOM 0 HA GLU A 983 6.957 -11.093 -4.879 1.00 0.00 H new ATOM 0 HB2 GLU A 983 4.616 -12.754 -4.251 1.00 0.00 H new ATOM 0 HB3 GLU A 983 4.325 -11.058 -3.920 1.00 0.00 H new ATOM 0 HG2 GLU A 983 4.076 -10.610 -6.095 1.00 0.00 H new ATOM 0 HG3 GLU A 983 5.649 -11.288 -6.467 1.00 0.00 H new ATOM 1003 N ILE A 984 6.166 -11.287 -1.694 1.00 0.00 N ATOM 1004 CA ILE A 984 5.971 -10.508 -0.481 1.00 0.00 C ATOM 1005 C ILE A 984 7.172 -9.620 -0.212 1.00 0.00 C ATOM 1006 O ILE A 984 7.021 -8.482 0.213 1.00 0.00 O ATOM 1007 CB ILE A 984 5.670 -11.405 0.740 1.00 0.00 C ATOM 1008 CG1 ILE A 984 5.415 -10.569 1.998 1.00 0.00 C ATOM 1009 CG2 ILE A 984 6.808 -12.379 0.987 1.00 0.00 C ATOM 1010 CD1 ILE A 984 4.225 -9.640 1.885 1.00 0.00 C ATOM 0 H ILE A 984 6.082 -12.296 -1.570 1.00 0.00 H new ATOM 0 HA ILE A 984 5.099 -9.874 -0.641 1.00 0.00 H new ATOM 0 HB ILE A 984 4.765 -11.969 0.515 1.00 0.00 H new ATOM 0 HG12 ILE A 984 5.261 -11.240 2.843 1.00 0.00 H new ATOM 0 HG13 ILE A 984 6.305 -9.979 2.217 1.00 0.00 H new ATOM 0 HG21 ILE A 984 6.574 -13.000 1.852 1.00 0.00 H new ATOM 0 HG22 ILE A 984 6.941 -13.013 0.110 1.00 0.00 H new ATOM 0 HG23 ILE A 984 7.727 -11.824 1.177 1.00 0.00 H new ATOM 0 HD11 ILE A 984 4.109 -9.082 2.814 1.00 0.00 H new ATOM 0 HD12 ILE A 984 4.384 -8.944 1.062 1.00 0.00 H new ATOM 0 HD13 ILE A 984 3.324 -10.224 1.698 1.00 0.00 H new ATOM 1022 N GLU A 985 8.362 -10.131 -0.487 1.00 0.00 N ATOM 1023 CA GLU A 985 9.564 -9.334 -0.323 1.00 0.00 C ATOM 1024 C GLU A 985 9.713 -8.322 -1.457 1.00 0.00 C ATOM 1025 O GLU A 985 10.084 -7.172 -1.214 1.00 0.00 O ATOM 1026 CB GLU A 985 10.819 -10.203 -0.204 1.00 0.00 C ATOM 1027 CG GLU A 985 11.098 -11.073 -1.410 1.00 0.00 C ATOM 1028 CD GLU A 985 12.466 -11.716 -1.343 1.00 0.00 C ATOM 1029 OE1 GLU A 985 12.869 -12.166 -0.249 1.00 0.00 O ATOM 1030 OE2 GLU A 985 13.160 -11.750 -2.380 1.00 0.00 O ATOM 0 H GLU A 985 8.519 -11.082 -0.821 1.00 0.00 H new ATOM 0 HA GLU A 985 9.457 -8.787 0.614 1.00 0.00 H new ATOM 0 HB2 GLU A 985 11.679 -9.555 -0.033 1.00 0.00 H new ATOM 0 HB3 GLU A 985 10.721 -10.842 0.674 1.00 0.00 H new ATOM 0 HG2 GLU A 985 10.336 -11.849 -1.481 1.00 0.00 H new ATOM 0 HG3 GLU A 985 11.025 -10.471 -2.316 1.00 0.00 H new ATOM 1037 N MET A 986 9.406 -8.740 -2.696 1.00 0.00 N ATOM 1038 CA MET A 986 9.647 -7.876 -3.855 1.00 0.00 C ATOM 1039 C MET A 986 8.844 -6.579 -3.765 1.00 0.00 C ATOM 1040 O MET A 986 9.404 -5.498 -3.901 1.00 0.00 O ATOM 1041 CB MET A 986 9.374 -8.590 -5.193 1.00 0.00 C ATOM 1042 CG MET A 986 7.904 -8.801 -5.528 1.00 0.00 C ATOM 1043 SD MET A 986 7.637 -9.246 -7.256 1.00 0.00 S ATOM 1044 CE MET A 986 8.554 -10.781 -7.367 1.00 0.00 C ATOM 0 H MET A 986 9.000 -9.650 -2.915 1.00 0.00 H new ATOM 0 HA MET A 986 10.708 -7.626 -3.832 1.00 0.00 H new ATOM 0 HB2 MET A 986 9.833 -8.012 -5.995 1.00 0.00 H new ATOM 0 HB3 MET A 986 9.869 -9.561 -5.176 1.00 0.00 H new ATOM 0 HG2 MET A 986 7.500 -9.586 -4.889 1.00 0.00 H new ATOM 0 HG3 MET A 986 7.350 -7.890 -5.303 1.00 0.00 H new ATOM 0 HE1 MET A 986 7.983 -11.505 -7.948 1.00 0.00 H new ATOM 0 HE2 MET A 986 9.512 -10.598 -7.855 1.00 0.00 H new ATOM 0 HE3 MET A 986 8.726 -11.175 -6.365 1.00 0.00 H new ATOM 1054 N ALA A 987 7.545 -6.687 -3.506 1.00 0.00 N ATOM 1055 CA ALA A 987 6.680 -5.532 -3.446 1.00 0.00 C ATOM 1056 C ALA A 987 6.829 -4.803 -2.124 1.00 0.00 C ATOM 1057 O ALA A 987 6.692 -3.596 -2.082 1.00 0.00 O ATOM 1058 CB ALA A 987 5.234 -5.925 -3.680 1.00 0.00 C ATOM 0 H ALA A 987 7.072 -7.574 -3.334 1.00 0.00 H new ATOM 0 HA ALA A 987 6.982 -4.851 -4.242 1.00 0.00 H new ATOM 0 HB1 ALA A 987 4.603 -5.038 -3.630 1.00 0.00 H new ATOM 0 HB2 ALA A 987 5.136 -6.384 -4.664 1.00 0.00 H new ATOM 0 HB3 ALA A 987 4.922 -6.636 -2.915 1.00 0.00 H new ATOM 1064 N GLN A 988 7.103 -5.529 -1.042 1.00 0.00 N ATOM 1065 CA GLN A 988 7.257 -4.890 0.264 1.00 0.00 C ATOM 1066 C GLN A 988 8.436 -3.922 0.245 1.00 0.00 C ATOM 1067 O GLN A 988 8.308 -2.769 0.647 1.00 0.00 O ATOM 1068 CB GLN A 988 7.462 -5.923 1.370 1.00 0.00 C ATOM 1069 CG GLN A 988 7.488 -5.327 2.771 1.00 0.00 C ATOM 1070 CD GLN A 988 7.775 -6.361 3.848 1.00 0.00 C ATOM 1071 OE1 GLN A 988 7.393 -7.605 3.598 1.00 0.00 O flip ATOM 1072 NE2 GLN A 988 8.341 -6.045 4.894 1.00 0.00 N flip ATOM 0 H GLN A 988 7.221 -6.542 -1.041 1.00 0.00 H new ATOM 0 HA GLN A 988 6.338 -4.341 0.472 1.00 0.00 H new ATOM 0 HB2 GLN A 988 6.664 -6.663 1.315 1.00 0.00 H new ATOM 0 HB3 GLN A 988 8.399 -6.451 1.192 1.00 0.00 H new ATOM 0 HG2 GLN A 988 8.246 -4.545 2.814 1.00 0.00 H new ATOM 0 HG3 GLN A 988 6.529 -4.852 2.976 1.00 0.00 H new ATOM 0 HE21 GLN A 988 8.620 -5.076 5.050 1.00 0.00 H new ATOM 0 HE22 GLN A 988 8.531 -6.752 5.605 1.00 0.00 H new ATOM 1081 N LYS A 989 9.587 -4.395 -0.225 1.00 0.00 N ATOM 1082 CA LYS A 989 10.753 -3.529 -0.382 1.00 0.00 C ATOM 1083 C LYS A 989 10.474 -2.470 -1.437 1.00 0.00 C ATOM 1084 O LYS A 989 10.960 -1.341 -1.356 1.00 0.00 O ATOM 1085 CB LYS A 989 11.986 -4.342 -0.770 1.00 0.00 C ATOM 1086 CG LYS A 989 12.563 -5.161 0.373 1.00 0.00 C ATOM 1087 CD LYS A 989 13.752 -5.994 -0.081 1.00 0.00 C ATOM 1088 CE LYS A 989 14.825 -5.143 -0.748 1.00 0.00 C ATOM 1089 NZ LYS A 989 15.393 -4.117 0.168 1.00 0.00 N ATOM 0 H LYS A 989 9.738 -5.365 -0.502 1.00 0.00 H new ATOM 0 HA LYS A 989 10.951 -3.042 0.573 1.00 0.00 H new ATOM 0 HB2 LYS A 989 11.725 -5.012 -1.590 1.00 0.00 H new ATOM 0 HB3 LYS A 989 12.754 -3.665 -1.144 1.00 0.00 H new ATOM 0 HG2 LYS A 989 12.871 -4.495 1.179 1.00 0.00 H new ATOM 0 HG3 LYS A 989 11.792 -5.816 0.778 1.00 0.00 H new ATOM 0 HD2 LYS A 989 14.181 -6.511 0.777 1.00 0.00 H new ATOM 0 HD3 LYS A 989 13.413 -6.761 -0.778 1.00 0.00 H new ATOM 0 HE2 LYS A 989 15.627 -5.790 -1.105 1.00 0.00 H new ATOM 0 HE3 LYS A 989 14.401 -4.649 -1.622 1.00 0.00 H new ATOM 0 HZ1 LYS A 989 16.164 -3.611 -0.313 1.00 0.00 H new ATOM 0 HZ2 LYS A 989 14.649 -3.441 0.436 1.00 0.00 H new ATOM 0 HZ3 LYS A 989 15.763 -4.581 1.022 1.00 0.00 H new ATOM 1103 N LEU A 990 9.667 -2.853 -2.416 1.00 0.00 N ATOM 1104 CA LEU A 990 9.238 -1.949 -3.465 1.00 0.00 C ATOM 1105 C LEU A 990 8.454 -0.777 -2.870 1.00 0.00 C ATOM 1106 O LEU A 990 8.871 0.383 -2.975 1.00 0.00 O ATOM 1107 CB LEU A 990 8.399 -2.734 -4.482 1.00 0.00 C ATOM 1108 CG LEU A 990 7.454 -1.916 -5.346 1.00 0.00 C ATOM 1109 CD1 LEU A 990 8.230 -0.951 -6.226 1.00 0.00 C ATOM 1110 CD2 LEU A 990 6.584 -2.823 -6.194 1.00 0.00 C ATOM 0 H LEU A 990 9.294 -3.798 -2.503 1.00 0.00 H new ATOM 0 HA LEU A 990 10.105 -1.529 -3.976 1.00 0.00 H new ATOM 0 HB2 LEU A 990 9.078 -3.279 -5.138 1.00 0.00 H new ATOM 0 HB3 LEU A 990 7.813 -3.477 -3.942 1.00 0.00 H new ATOM 0 HG LEU A 990 6.808 -1.336 -4.687 1.00 0.00 H new ATOM 0 HD11 LEU A 990 7.534 -0.375 -6.836 1.00 0.00 H new ATOM 0 HD12 LEU A 990 8.810 -0.273 -5.600 1.00 0.00 H new ATOM 0 HD13 LEU A 990 8.904 -1.511 -6.874 1.00 0.00 H new ATOM 0 HD21 LEU A 990 5.915 -2.218 -6.805 1.00 0.00 H new ATOM 0 HD22 LEU A 990 7.215 -3.432 -6.841 1.00 0.00 H new ATOM 0 HD23 LEU A 990 5.996 -3.473 -5.546 1.00 0.00 H new ATOM 1122 N LEU A 991 7.364 -1.088 -2.178 1.00 0.00 N ATOM 1123 CA LEU A 991 6.501 -0.059 -1.626 1.00 0.00 C ATOM 1124 C LEU A 991 7.185 0.641 -0.469 1.00 0.00 C ATOM 1125 O LEU A 991 6.809 1.743 -0.095 1.00 0.00 O ATOM 1126 CB LEU A 991 5.126 -0.623 -1.222 1.00 0.00 C ATOM 1127 CG LEU A 991 5.114 -1.894 -0.366 1.00 0.00 C ATOM 1128 CD1 LEU A 991 5.481 -1.597 1.079 1.00 0.00 C ATOM 1129 CD2 LEU A 991 3.749 -2.554 -0.442 1.00 0.00 C ATOM 0 H LEU A 991 7.060 -2.043 -1.988 1.00 0.00 H new ATOM 0 HA LEU A 991 6.316 0.681 -2.405 1.00 0.00 H new ATOM 0 HB2 LEU A 991 4.588 0.155 -0.680 1.00 0.00 H new ATOM 0 HB3 LEU A 991 4.562 -0.824 -2.133 1.00 0.00 H new ATOM 0 HG LEU A 991 5.866 -2.577 -0.762 1.00 0.00 H new ATOM 0 HD11 LEU A 991 5.462 -2.521 1.656 1.00 0.00 H new ATOM 0 HD12 LEU A 991 6.481 -1.164 1.119 1.00 0.00 H new ATOM 0 HD13 LEU A 991 4.764 -0.892 1.499 1.00 0.00 H new ATOM 0 HD21 LEU A 991 3.747 -3.457 0.169 1.00 0.00 H new ATOM 0 HD22 LEU A 991 2.990 -1.864 -0.072 1.00 0.00 H new ATOM 0 HD23 LEU A 991 3.528 -2.815 -1.477 1.00 0.00 H new ATOM 1141 N ASN A 992 8.199 0.000 0.090 1.00 0.00 N ATOM 1142 CA ASN A 992 9.011 0.626 1.116 1.00 0.00 C ATOM 1143 C ASN A 992 9.653 1.890 0.559 1.00 0.00 C ATOM 1144 O ASN A 992 9.750 2.896 1.247 1.00 0.00 O ATOM 1145 CB ASN A 992 10.088 -0.345 1.613 1.00 0.00 C ATOM 1146 CG ASN A 992 11.045 0.280 2.613 1.00 0.00 C ATOM 1147 OD1 ASN A 992 10.805 0.256 3.822 1.00 0.00 O ATOM 1148 ND2 ASN A 992 12.149 0.820 2.117 1.00 0.00 N ATOM 0 H ASN A 992 8.477 -0.951 -0.150 1.00 0.00 H new ATOM 0 HA ASN A 992 8.375 0.891 1.960 1.00 0.00 H new ATOM 0 HB2 ASN A 992 9.605 -1.208 2.073 1.00 0.00 H new ATOM 0 HB3 ASN A 992 10.656 -0.715 0.759 1.00 0.00 H new ATOM 0 HD21 ASN A 992 12.839 1.237 2.743 1.00 0.00 H new ATOM 0 HD22 ASN A 992 12.309 0.819 1.110 1.00 0.00 H new ATOM 1155 N SER A 993 10.066 1.829 -0.703 1.00 0.00 N ATOM 1156 CA SER A 993 10.720 2.954 -1.357 1.00 0.00 C ATOM 1157 C SER A 993 9.736 4.047 -1.796 1.00 0.00 C ATOM 1158 O SER A 993 10.090 5.225 -1.813 1.00 0.00 O ATOM 1159 CB SER A 993 11.520 2.459 -2.557 1.00 0.00 C ATOM 1160 OG SER A 993 12.493 1.509 -2.155 1.00 0.00 O ATOM 0 H SER A 993 9.958 1.006 -1.295 1.00 0.00 H new ATOM 0 HA SER A 993 11.386 3.407 -0.622 1.00 0.00 H new ATOM 0 HB2 SER A 993 10.848 2.011 -3.288 1.00 0.00 H new ATOM 0 HB3 SER A 993 12.008 3.301 -3.047 1.00 0.00 H new ATOM 0 HG SER A 993 12.049 0.673 -1.901 1.00 0.00 H new ATOM 1166 N ASP A 994 8.501 3.684 -2.132 1.00 0.00 N ATOM 1167 CA ASP A 994 7.564 4.690 -2.652 1.00 0.00 C ATOM 1168 C ASP A 994 6.538 5.123 -1.609 1.00 0.00 C ATOM 1169 O ASP A 994 6.035 6.245 -1.657 1.00 0.00 O ATOM 1170 CB ASP A 994 6.891 4.244 -3.946 1.00 0.00 C ATOM 1171 CG ASP A 994 7.706 4.656 -5.162 1.00 0.00 C ATOM 1172 OD1 ASP A 994 7.562 5.809 -5.621 1.00 0.00 O ATOM 1173 OD2 ASP A 994 8.512 3.838 -5.656 1.00 0.00 O ATOM 0 H ASP A 994 8.130 2.737 -2.060 1.00 0.00 H new ATOM 0 HA ASP A 994 8.166 5.567 -2.891 1.00 0.00 H new ATOM 0 HB2 ASP A 994 6.766 3.161 -3.939 1.00 0.00 H new ATOM 0 HB3 ASP A 994 5.894 4.680 -4.009 1.00 0.00 H new ATOM 1178 N LEU A 995 6.220 4.256 -0.661 1.00 0.00 N ATOM 1179 CA LEU A 995 5.549 4.708 0.554 1.00 0.00 C ATOM 1180 C LEU A 995 6.566 5.492 1.398 1.00 0.00 C ATOM 1181 O LEU A 995 6.219 6.232 2.301 1.00 0.00 O ATOM 1182 CB LEU A 995 4.911 3.539 1.341 1.00 0.00 C ATOM 1183 CG LEU A 995 3.579 3.004 0.781 1.00 0.00 C ATOM 1184 CD1 LEU A 995 3.678 2.669 -0.700 1.00 0.00 C ATOM 1185 CD2 LEU A 995 3.146 1.781 1.545 1.00 0.00 C ATOM 0 H LEU A 995 6.409 3.255 -0.703 1.00 0.00 H new ATOM 0 HA LEU A 995 4.716 5.360 0.289 1.00 0.00 H new ATOM 0 HB2 LEU A 995 5.625 2.717 1.376 1.00 0.00 H new ATOM 0 HB3 LEU A 995 4.748 3.864 2.369 1.00 0.00 H new ATOM 0 HG LEU A 995 2.838 3.795 0.899 1.00 0.00 H new ATOM 0 HD11 LEU A 995 2.717 2.295 -1.054 1.00 0.00 H new ATOM 0 HD12 LEU A 995 3.947 3.566 -1.259 1.00 0.00 H new ATOM 0 HD13 LEU A 995 4.441 1.906 -0.850 1.00 0.00 H new ATOM 0 HD21 LEU A 995 2.204 1.413 1.139 1.00 0.00 H new ATOM 0 HD22 LEU A 995 3.907 1.006 1.454 1.00 0.00 H new ATOM 0 HD23 LEU A 995 3.013 2.037 2.596 1.00 0.00 H new ATOM 1197 N ALA A 996 7.840 5.336 1.072 1.00 0.00 N ATOM 1198 CA ALA A 996 8.856 6.244 1.597 1.00 0.00 C ATOM 1199 C ALA A 996 8.659 7.616 0.972 1.00 0.00 C ATOM 1200 O ALA A 996 8.782 8.642 1.635 1.00 0.00 O ATOM 1201 CB ALA A 996 10.262 5.739 1.335 1.00 0.00 C ATOM 0 H ALA A 996 8.194 4.603 0.457 1.00 0.00 H new ATOM 0 HA ALA A 996 8.739 6.304 2.679 1.00 0.00 H new ATOM 0 HB1 ALA A 996 10.984 6.446 1.743 1.00 0.00 H new ATOM 0 HB2 ALA A 996 10.395 4.768 1.813 1.00 0.00 H new ATOM 0 HB3 ALA A 996 10.419 5.639 0.261 1.00 0.00 H new ATOM 1207 N GLU A 997 8.379 7.622 -0.323 1.00 0.00 N ATOM 1208 CA GLU A 997 7.992 8.840 -1.014 1.00 0.00 C ATOM 1209 C GLU A 997 6.753 9.470 -0.403 1.00 0.00 C ATOM 1210 O GLU A 997 6.629 10.681 -0.428 1.00 0.00 O ATOM 1211 CB GLU A 997 7.779 8.592 -2.498 1.00 0.00 C ATOM 1212 CG GLU A 997 9.021 8.060 -3.175 1.00 0.00 C ATOM 1213 CD GLU A 997 10.128 9.092 -3.248 1.00 0.00 C ATOM 1214 OE1 GLU A 997 10.842 9.287 -2.239 1.00 0.00 O ATOM 1215 OE2 GLU A 997 10.291 9.713 -4.317 1.00 0.00 O ATOM 0 H GLU A 997 8.413 6.793 -0.917 1.00 0.00 H new ATOM 0 HA GLU A 997 8.817 9.542 -0.896 1.00 0.00 H new ATOM 0 HB2 GLU A 997 6.963 7.882 -2.632 1.00 0.00 H new ATOM 0 HB3 GLU A 997 7.475 9.522 -2.979 1.00 0.00 H new ATOM 0 HG2 GLU A 997 9.380 7.185 -2.634 1.00 0.00 H new ATOM 0 HG3 GLU A 997 8.769 7.730 -4.183 1.00 0.00 H new ATOM 1222 N LEU A 998 5.819 8.668 0.120 1.00 0.00 N ATOM 1223 CA LEU A 998 4.663 9.241 0.815 1.00 0.00 C ATOM 1224 C LEU A 998 5.158 10.098 1.973 1.00 0.00 C ATOM 1225 O LEU A 998 4.599 11.151 2.274 1.00 0.00 O ATOM 1226 CB LEU A 998 3.665 8.159 1.293 1.00 0.00 C ATOM 1227 CG LEU A 998 3.869 7.550 2.695 1.00 0.00 C ATOM 1228 CD1 LEU A 998 3.305 8.442 3.790 1.00 0.00 C ATOM 1229 CD2 LEU A 998 3.232 6.170 2.772 1.00 0.00 C ATOM 0 H LEU A 998 5.838 7.649 0.078 1.00 0.00 H new ATOM 0 HA LEU A 998 4.109 9.864 0.113 1.00 0.00 H new ATOM 0 HB2 LEU A 998 2.665 8.590 1.259 1.00 0.00 H new ATOM 0 HB3 LEU A 998 3.685 7.344 0.569 1.00 0.00 H new ATOM 0 HG LEU A 998 4.943 7.463 2.856 1.00 0.00 H new ATOM 0 HD11 LEU A 998 3.470 7.975 4.761 1.00 0.00 H new ATOM 0 HD12 LEU A 998 3.804 9.411 3.764 1.00 0.00 H new ATOM 0 HD13 LEU A 998 2.236 8.581 3.631 1.00 0.00 H new ATOM 0 HD21 LEU A 998 3.385 5.754 3.768 1.00 0.00 H new ATOM 0 HD22 LEU A 998 2.163 6.251 2.573 1.00 0.00 H new ATOM 0 HD23 LEU A 998 3.691 5.516 2.031 1.00 0.00 H new ATOM 1241 N ILE A 999 6.234 9.653 2.591 1.00 0.00 N ATOM 1242 CA ILE A 999 6.870 10.430 3.653 1.00 0.00 C ATOM 1243 C ILE A 999 7.319 11.778 3.097 1.00 0.00 C ATOM 1244 O ILE A 999 7.117 12.814 3.716 1.00 0.00 O ATOM 1245 CB ILE A 999 8.070 9.685 4.306 1.00 0.00 C ATOM 1246 CG1 ILE A 999 7.596 8.762 5.438 1.00 0.00 C ATOM 1247 CG2 ILE A 999 9.115 10.663 4.840 1.00 0.00 C ATOM 1248 CD1 ILE A 999 6.733 7.606 4.984 1.00 0.00 C ATOM 0 H ILE A 999 6.689 8.764 2.383 1.00 0.00 H new ATOM 0 HA ILE A 999 6.131 10.579 4.440 1.00 0.00 H new ATOM 0 HB ILE A 999 8.533 9.080 3.526 1.00 0.00 H new ATOM 0 HG12 ILE A 999 8.469 8.366 5.956 1.00 0.00 H new ATOM 0 HG13 ILE A 999 7.037 9.354 6.162 1.00 0.00 H new ATOM 0 HG21 ILE A 999 9.938 10.107 5.289 1.00 0.00 H new ATOM 0 HG22 ILE A 999 9.494 11.274 4.021 1.00 0.00 H new ATOM 0 HG23 ILE A 999 8.660 11.307 5.592 1.00 0.00 H new ATOM 0 HD11 ILE A 999 6.444 7.007 5.847 1.00 0.00 H new ATOM 0 HD12 ILE A 999 5.839 7.990 4.493 1.00 0.00 H new ATOM 0 HD13 ILE A 999 7.293 6.987 4.284 1.00 0.00 H new ATOM 1260 N ASN A1000 7.895 11.758 1.904 1.00 0.00 N ATOM 1261 CA ASN A1000 8.317 12.987 1.235 1.00 0.00 C ATOM 1262 C ASN A1000 7.130 13.715 0.613 1.00 0.00 C ATOM 1263 O ASN A1000 7.220 14.890 0.321 1.00 0.00 O ATOM 1264 CB ASN A1000 9.364 12.689 0.158 1.00 0.00 C ATOM 1265 CG ASN A1000 10.671 12.175 0.733 1.00 0.00 C ATOM 1266 OD1 ASN A1000 11.047 12.514 1.856 1.00 0.00 O ATOM 1267 ND2 ASN A1000 11.374 11.353 -0.031 1.00 0.00 N ATOM 0 H ASN A1000 8.082 10.905 1.376 1.00 0.00 H new ATOM 0 HA ASN A1000 8.761 13.634 1.992 1.00 0.00 H new ATOM 0 HB2 ASN A1000 8.963 11.951 -0.537 1.00 0.00 H new ATOM 0 HB3 ASN A1000 9.557 13.596 -0.416 1.00 0.00 H new ATOM 0 HD21 ASN A1000 12.261 10.977 0.305 1.00 0.00 H new ATOM 0 HD22 ASN A1000 11.029 11.096 -0.956 1.00 0.00 H new ATOM 1274 N LYS A1001 6.023 13.023 0.397 1.00 0.00 N ATOM 1275 CA LYS A1001 4.808 13.669 -0.090 1.00 0.00 C ATOM 1276 C LYS A1001 4.267 14.609 0.969 1.00 0.00 C ATOM 1277 O LYS A1001 3.895 15.747 0.681 1.00 0.00 O ATOM 1278 CB LYS A1001 3.735 12.633 -0.445 1.00 0.00 C ATOM 1279 CG LYS A1001 4.030 11.822 -1.698 1.00 0.00 C ATOM 1280 CD LYS A1001 3.032 10.681 -1.893 1.00 0.00 C ATOM 1281 CE LYS A1001 1.641 11.167 -2.297 1.00 0.00 C ATOM 1282 NZ LYS A1001 0.923 11.874 -1.202 1.00 0.00 N ATOM 0 H LYS A1001 5.937 12.018 0.549 1.00 0.00 H new ATOM 0 HA LYS A1001 5.060 14.229 -0.990 1.00 0.00 H new ATOM 0 HB2 LYS A1001 3.616 11.949 0.395 1.00 0.00 H new ATOM 0 HB3 LYS A1001 2.782 13.146 -0.576 1.00 0.00 H new ATOM 0 HG2 LYS A1001 4.004 12.478 -2.568 1.00 0.00 H new ATOM 0 HG3 LYS A1001 5.039 11.414 -1.636 1.00 0.00 H new ATOM 0 HD2 LYS A1001 3.410 10.002 -2.657 1.00 0.00 H new ATOM 0 HD3 LYS A1001 2.957 10.109 -0.968 1.00 0.00 H new ATOM 0 HE2 LYS A1001 1.732 11.835 -3.153 1.00 0.00 H new ATOM 0 HE3 LYS A1001 1.045 10.313 -2.621 1.00 0.00 H new ATOM 0 HZ1 LYS A1001 -0.038 11.487 -1.111 1.00 0.00 H new ATOM 0 HZ2 LYS A1001 1.436 11.740 -0.307 1.00 0.00 H new ATOM 0 HZ3 LYS A1001 0.868 12.889 -1.421 1.00 0.00 H new ATOM 1296 N MET A1002 4.250 14.124 2.200 1.00 0.00 N ATOM 1297 CA MET A1002 3.768 14.907 3.315 1.00 0.00 C ATOM 1298 C MET A1002 4.834 15.907 3.685 1.00 0.00 C ATOM 1299 O MET A1002 4.545 17.051 4.033 1.00 0.00 O ATOM 1300 CB MET A1002 3.434 14.013 4.520 1.00 0.00 C ATOM 1301 CG MET A1002 4.646 13.388 5.201 1.00 0.00 C ATOM 1302 SD MET A1002 4.234 12.486 6.710 1.00 0.00 S ATOM 1303 CE MET A1002 3.228 11.163 6.051 1.00 0.00 C ATOM 0 H MET A1002 4.567 13.187 2.448 1.00 0.00 H new ATOM 0 HA MET A1002 2.850 15.420 3.028 1.00 0.00 H new ATOM 0 HB2 MET A1002 2.886 14.604 5.254 1.00 0.00 H new ATOM 0 HB3 MET A1002 2.767 13.216 4.191 1.00 0.00 H new ATOM 0 HG2 MET A1002 5.136 12.709 4.503 1.00 0.00 H new ATOM 0 HG3 MET A1002 5.364 14.172 5.440 1.00 0.00 H new ATOM 0 HE1 MET A1002 3.147 10.365 6.789 1.00 0.00 H new ATOM 0 HE2 MET A1002 2.234 11.544 5.818 1.00 0.00 H new ATOM 0 HE3 MET A1002 3.689 10.773 5.144 1.00 0.00 H new ATOM 1313 N LYS A1003 6.078 15.461 3.566 1.00 0.00 N ATOM 1314 CA LYS A1003 7.209 16.286 3.893 1.00 0.00 C ATOM 1315 C LYS A1003 7.317 17.428 2.904 1.00 0.00 C ATOM 1316 O LYS A1003 7.111 18.559 3.282 1.00 0.00 O ATOM 1317 CB LYS A1003 8.478 15.430 3.851 1.00 0.00 C ATOM 1318 CG LYS A1003 9.764 16.161 4.181 1.00 0.00 C ATOM 1319 CD LYS A1003 9.859 16.509 5.656 1.00 0.00 C ATOM 1320 CE LYS A1003 11.269 16.936 6.030 1.00 0.00 C ATOM 1321 NZ LYS A1003 12.257 15.844 5.813 1.00 0.00 N ATOM 0 H LYS A1003 6.319 14.524 3.242 1.00 0.00 H new ATOM 0 HA LYS A1003 7.084 16.703 4.892 1.00 0.00 H new ATOM 0 HB2 LYS A1003 8.361 14.602 4.550 1.00 0.00 H new ATOM 0 HB3 LYS A1003 8.571 14.996 2.855 1.00 0.00 H new ATOM 0 HG2 LYS A1003 10.615 15.542 3.899 1.00 0.00 H new ATOM 0 HG3 LYS A1003 9.824 17.074 3.589 1.00 0.00 H new ATOM 0 HD2 LYS A1003 9.159 17.312 5.889 1.00 0.00 H new ATOM 0 HD3 LYS A1003 9.566 15.647 6.255 1.00 0.00 H new ATOM 0 HE2 LYS A1003 11.554 17.806 5.438 1.00 0.00 H new ATOM 0 HE3 LYS A1003 11.290 17.242 7.076 1.00 0.00 H new ATOM 0 HZ1 LYS A1003 13.084 15.997 6.425 1.00 0.00 H new ATOM 0 HZ2 LYS A1003 11.820 14.929 6.044 1.00 0.00 H new ATOM 0 HZ3 LYS A1003 12.559 15.842 4.818 1.00 0.00 H new ATOM 1335 N LEU A1004 7.529 17.104 1.631 1.00 0.00 N ATOM 1336 CA LEU A1004 7.792 18.108 0.599 1.00 0.00 C ATOM 1337 C LEU A1004 6.750 19.206 0.575 1.00 0.00 C ATOM 1338 O LEU A1004 7.097 20.377 0.684 1.00 0.00 O ATOM 1339 CB LEU A1004 7.887 17.470 -0.792 1.00 0.00 C ATOM 1340 CG LEU A1004 8.767 18.211 -1.825 1.00 0.00 C ATOM 1341 CD1 LEU A1004 8.940 17.357 -3.069 1.00 0.00 C ATOM 1342 CD2 LEU A1004 8.178 19.571 -2.209 1.00 0.00 C ATOM 0 H LEU A1004 7.524 16.144 1.285 1.00 0.00 H new ATOM 0 HA LEU A1004 8.751 18.556 0.858 1.00 0.00 H new ATOM 0 HB2 LEU A1004 8.272 16.457 -0.678 1.00 0.00 H new ATOM 0 HB3 LEU A1004 6.879 17.384 -1.199 1.00 0.00 H new ATOM 0 HG LEU A1004 9.737 18.388 -1.361 1.00 0.00 H new ATOM 0 HD11 LEU A1004 9.561 17.887 -3.791 1.00 0.00 H new ATOM 0 HD12 LEU A1004 9.419 16.416 -2.800 1.00 0.00 H new ATOM 0 HD13 LEU A1004 7.964 17.154 -3.510 1.00 0.00 H new ATOM 0 HD21 LEU A1004 8.828 20.057 -2.937 1.00 0.00 H new ATOM 0 HD22 LEU A1004 7.189 19.429 -2.644 1.00 0.00 H new ATOM 0 HD23 LEU A1004 8.097 20.197 -1.320 1.00 0.00 H new ATOM 1354 N ALA A1005 5.485 18.851 0.424 1.00 0.00 N ATOM 1355 CA ALA A1005 4.464 19.870 0.266 1.00 0.00 C ATOM 1356 C ALA A1005 4.440 20.784 1.478 1.00 0.00 C ATOM 1357 O ALA A1005 4.645 21.984 1.365 1.00 0.00 O ATOM 1358 CB ALA A1005 3.106 19.225 0.066 1.00 0.00 C ATOM 0 H ALA A1005 5.147 17.889 0.408 1.00 0.00 H new ATOM 0 HA ALA A1005 4.700 20.467 -0.615 1.00 0.00 H new ATOM 0 HB1 ALA A1005 2.349 20.000 -0.051 1.00 0.00 H new ATOM 0 HB2 ALA A1005 3.128 18.601 -0.827 1.00 0.00 H new ATOM 0 HB3 ALA A1005 2.864 18.610 0.933 1.00 0.00 H new ATOM 1364 N GLN A1006 4.318 20.185 2.639 1.00 0.00 N ATOM 1365 CA GLN A1006 4.279 20.924 3.890 1.00 0.00 C ATOM 1366 C GLN A1006 5.636 21.579 4.190 1.00 0.00 C ATOM 1367 O GLN A1006 5.726 22.511 4.984 1.00 0.00 O ATOM 1368 CB GLN A1006 3.853 19.960 5.004 1.00 0.00 C ATOM 1369 CG GLN A1006 4.969 19.521 5.946 1.00 0.00 C ATOM 1370 CD GLN A1006 4.948 20.262 7.272 1.00 0.00 C ATOM 1371 OE1 GLN A1006 4.516 21.411 7.355 1.00 0.00 O ATOM 1372 NE2 GLN A1006 5.410 19.604 8.324 1.00 0.00 N ATOM 0 H GLN A1006 4.243 19.174 2.749 1.00 0.00 H new ATOM 0 HA GLN A1006 3.556 21.737 3.820 1.00 0.00 H new ATOM 0 HB2 GLN A1006 3.068 20.435 5.593 1.00 0.00 H new ATOM 0 HB3 GLN A1006 3.415 19.073 4.547 1.00 0.00 H new ATOM 0 HG2 GLN A1006 4.881 18.451 6.132 1.00 0.00 H new ATOM 0 HG3 GLN A1006 5.932 19.682 5.461 1.00 0.00 H new ATOM 0 HE21 GLN A1006 5.760 18.652 8.217 1.00 0.00 H new ATOM 0 HE22 GLN A1006 5.416 20.049 9.242 1.00 0.00 H new ATOM 1381 N GLN A1007 6.681 21.101 3.530 1.00 0.00 N ATOM 1382 CA GLN A1007 8.037 21.582 3.776 1.00 0.00 C ATOM 1383 C GLN A1007 8.351 22.777 2.897 1.00 0.00 C ATOM 1384 O GLN A1007 8.998 23.732 3.320 1.00 0.00 O ATOM 1385 CB GLN A1007 9.037 20.465 3.469 1.00 0.00 C ATOM 1386 CG GLN A1007 10.321 20.518 4.264 1.00 0.00 C ATOM 1387 CD GLN A1007 10.072 20.498 5.759 1.00 0.00 C ATOM 1388 OE1 GLN A1007 8.966 19.893 6.175 1.00 0.00 O flip ATOM 1389 NE2 GLN A1007 10.860 21.036 6.535 1.00 0.00 N flip ATOM 0 H GLN A1007 6.617 20.376 2.815 1.00 0.00 H new ATOM 0 HA GLN A1007 8.112 21.881 4.821 1.00 0.00 H new ATOM 0 HB2 GLN A1007 8.554 19.505 3.652 1.00 0.00 H new ATOM 0 HB3 GLN A1007 9.283 20.500 2.408 1.00 0.00 H new ATOM 0 HG2 GLN A1007 10.950 19.671 3.991 1.00 0.00 H new ATOM 0 HG3 GLN A1007 10.872 21.421 4.001 1.00 0.00 H new ATOM 0 HE21 GLN A1007 11.699 21.491 6.176 1.00 0.00 H new ATOM 0 HE22 GLN A1007 10.674 21.027 7.538 1.00 0.00 H new ATOM 1398 N TYR A1008 7.869 22.709 1.678 1.00 0.00 N ATOM 1399 CA TYR A1008 8.200 23.675 0.660 1.00 0.00 C ATOM 1400 C TYR A1008 7.028 24.635 0.476 1.00 0.00 C ATOM 1401 O TYR A1008 7.022 25.468 -0.430 1.00 0.00 O ATOM 1402 CB TYR A1008 8.482 22.897 -0.619 1.00 0.00 C ATOM 1403 CG TYR A1008 9.532 23.479 -1.523 1.00 0.00 C ATOM 1404 CD1 TYR A1008 10.520 24.333 -1.055 1.00 0.00 C ATOM 1405 CD2 TYR A1008 9.527 23.154 -2.860 1.00 0.00 C ATOM 1406 CE1 TYR A1008 11.475 24.848 -1.912 1.00 0.00 C ATOM 1407 CE2 TYR A1008 10.470 23.659 -3.728 1.00 0.00 C ATOM 1408 CZ TYR A1008 11.443 24.510 -3.250 1.00 0.00 C ATOM 1409 OH TYR A1008 12.384 25.025 -4.113 1.00 0.00 O ATOM 0 H TYR A1008 7.232 21.977 1.364 1.00 0.00 H new ATOM 0 HA TYR A1008 9.073 24.268 0.933 1.00 0.00 H new ATOM 0 HB2 TYR A1008 8.784 21.886 -0.347 1.00 0.00 H new ATOM 0 HB3 TYR A1008 7.552 22.811 -1.182 1.00 0.00 H new ATOM 0 HD1 TYR A1008 10.543 24.599 -0.008 1.00 0.00 H new ATOM 0 HD2 TYR A1008 8.766 22.487 -3.238 1.00 0.00 H new ATOM 0 HE1 TYR A1008 12.241 25.510 -1.537 1.00 0.00 H new ATOM 0 HE2 TYR A1008 10.447 23.390 -4.774 1.00 0.00 H new ATOM 0 HH TYR A1008 12.219 24.686 -5.017 1.00 0.00 H new ATOM 1496 N GLN A1014 2.090 25.609 -3.645 1.00 0.00 N ATOM 1497 CA GLN A1014 1.898 24.341 -2.947 1.00 0.00 C ATOM 1498 C GLN A1014 1.434 23.266 -3.922 1.00 0.00 C ATOM 1499 O GLN A1014 1.655 22.072 -3.722 1.00 0.00 O ATOM 1500 CB GLN A1014 0.876 24.488 -1.809 1.00 0.00 C ATOM 1501 CG GLN A1014 0.864 23.283 -0.888 1.00 0.00 C ATOM 1502 CD GLN A1014 2.245 22.933 -0.471 1.00 0.00 C ATOM 1503 OE1 GLN A1014 2.932 22.194 -1.322 1.00 0.00 O flip ATOM 1504 NE2 GLN A1014 2.704 23.371 0.565 1.00 0.00 N flip ATOM 0 HA GLN A1014 2.855 24.046 -2.516 1.00 0.00 H new ATOM 0 HB2 GLN A1014 1.106 25.383 -1.230 1.00 0.00 H new ATOM 0 HB3 GLN A1014 -0.118 24.629 -2.232 1.00 0.00 H new ATOM 0 HG2 GLN A1014 0.255 23.496 -0.009 1.00 0.00 H new ATOM 0 HG3 GLN A1014 0.405 22.435 -1.396 1.00 0.00 H new ATOM 0 HE21 GLN A1014 2.121 23.937 1.182 1.00 0.00 H new ATOM 0 HE22 GLN A1014 3.672 23.173 0.818 1.00 0.00 H new ATOM 1513 N GLN A1015 0.816 23.724 -4.979 1.00 0.00 N ATOM 1514 CA GLN A1015 0.284 22.874 -6.025 1.00 0.00 C ATOM 1515 C GLN A1015 1.409 22.146 -6.760 1.00 0.00 C ATOM 1516 O GLN A1015 1.281 20.973 -7.088 1.00 0.00 O ATOM 1517 CB GLN A1015 -0.521 23.763 -6.957 1.00 0.00 C ATOM 1518 CG GLN A1015 -1.183 23.069 -8.140 1.00 0.00 C ATOM 1519 CD GLN A1015 -0.302 23.027 -9.376 1.00 0.00 C ATOM 1520 OE1 GLN A1015 0.415 22.058 -9.614 1.00 0.00 O ATOM 1521 NE2 GLN A1015 -0.330 24.095 -10.155 1.00 0.00 N ATOM 0 H GLN A1015 0.663 24.719 -5.145 1.00 0.00 H new ATOM 0 HA GLN A1015 -0.357 22.097 -5.609 1.00 0.00 H new ATOM 0 HB2 GLN A1015 -1.296 24.259 -6.373 1.00 0.00 H new ATOM 0 HB3 GLN A1015 0.137 24.542 -7.341 1.00 0.00 H new ATOM 0 HG2 GLN A1015 -1.447 22.051 -7.855 1.00 0.00 H new ATOM 0 HG3 GLN A1015 -2.113 23.584 -8.381 1.00 0.00 H new ATOM 0 HE21 GLN A1015 -0.939 24.880 -9.923 1.00 0.00 H new ATOM 0 HE22 GLN A1015 0.258 24.134 -10.988 1.00 0.00 H new ATOM 1530 N GLU A1016 2.498 22.859 -7.022 1.00 0.00 N ATOM 1531 CA GLU A1016 3.709 22.255 -7.587 1.00 0.00 C ATOM 1532 C GLU A1016 4.119 21.013 -6.787 1.00 0.00 C ATOM 1533 O GLU A1016 4.288 19.929 -7.344 1.00 0.00 O ATOM 1534 CB GLU A1016 4.836 23.301 -7.599 1.00 0.00 C ATOM 1535 CG GLU A1016 6.218 22.766 -7.958 1.00 0.00 C ATOM 1536 CD GLU A1016 6.281 22.107 -9.323 1.00 0.00 C ATOM 1537 OE1 GLU A1016 6.387 22.830 -10.333 1.00 0.00 O ATOM 1538 OE2 GLU A1016 6.268 20.866 -9.386 1.00 0.00 O ATOM 0 H GLU A1016 2.572 23.862 -6.853 1.00 0.00 H new ATOM 0 HA GLU A1016 3.510 21.934 -8.610 1.00 0.00 H new ATOM 0 HB2 GLU A1016 4.573 24.086 -8.308 1.00 0.00 H new ATOM 0 HB3 GLU A1016 4.889 23.765 -6.614 1.00 0.00 H new ATOM 0 HG2 GLU A1016 6.935 23.587 -7.927 1.00 0.00 H new ATOM 0 HG3 GLU A1016 6.526 22.045 -7.201 1.00 0.00 H new ATOM 1545 N TYR A1017 4.235 21.167 -5.477 1.00 0.00 N ATOM 1546 CA TYR A1017 4.656 20.072 -4.603 1.00 0.00 C ATOM 1547 C TYR A1017 3.528 19.054 -4.435 1.00 0.00 C ATOM 1548 O TYR A1017 3.754 17.904 -4.056 1.00 0.00 O ATOM 1549 CB TYR A1017 5.117 20.652 -3.259 1.00 0.00 C ATOM 1550 CG TYR A1017 5.758 22.006 -3.441 1.00 0.00 C ATOM 1551 CD1 TYR A1017 6.697 22.204 -4.435 1.00 0.00 C ATOM 1552 CD2 TYR A1017 5.380 23.095 -2.672 1.00 0.00 C ATOM 1553 CE1 TYR A1017 7.251 23.437 -4.657 1.00 0.00 C ATOM 1554 CE2 TYR A1017 5.924 24.342 -2.892 1.00 0.00 C ATOM 1555 CZ TYR A1017 6.862 24.511 -3.883 1.00 0.00 C ATOM 1556 OH TYR A1017 7.407 25.754 -4.108 1.00 0.00 O ATOM 0 H TYR A1017 4.043 22.042 -4.990 1.00 0.00 H new ATOM 0 HA TYR A1017 5.495 19.540 -5.052 1.00 0.00 H new ATOM 0 HB2 TYR A1017 4.265 20.738 -2.585 1.00 0.00 H new ATOM 0 HB3 TYR A1017 5.827 19.971 -2.790 1.00 0.00 H new ATOM 0 HD1 TYR A1017 7.000 21.369 -5.050 1.00 0.00 H new ATOM 0 HD2 TYR A1017 4.648 22.965 -1.889 1.00 0.00 H new ATOM 0 HE1 TYR A1017 7.989 23.568 -5.435 1.00 0.00 H new ATOM 0 HE2 TYR A1017 5.615 25.183 -2.289 1.00 0.00 H new ATOM 0 HH TYR A1017 7.024 26.398 -3.477 1.00 0.00 H new ATOM 1566 N LYS A1018 2.314 19.494 -4.729 1.00 0.00 N ATOM 1567 CA LYS A1018 1.161 18.608 -4.804 1.00 0.00 C ATOM 1568 C LYS A1018 1.263 17.725 -6.050 1.00 0.00 C ATOM 1569 O LYS A1018 1.052 16.517 -5.988 1.00 0.00 O ATOM 1570 CB LYS A1018 -0.122 19.441 -4.846 1.00 0.00 C ATOM 1571 CG LYS A1018 -1.400 18.628 -4.944 1.00 0.00 C ATOM 1572 CD LYS A1018 -1.741 17.942 -3.633 1.00 0.00 C ATOM 1573 CE LYS A1018 -3.129 17.323 -3.689 1.00 0.00 C ATOM 1574 NZ LYS A1018 -4.159 18.320 -4.088 1.00 0.00 N ATOM 0 H LYS A1018 2.100 20.472 -4.922 1.00 0.00 H new ATOM 0 HA LYS A1018 1.139 17.966 -3.923 1.00 0.00 H new ATOM 0 HB2 LYS A1018 -0.168 20.059 -3.949 1.00 0.00 H new ATOM 0 HB3 LYS A1018 -0.072 20.119 -5.698 1.00 0.00 H new ATOM 0 HG2 LYS A1018 -2.223 19.280 -5.236 1.00 0.00 H new ATOM 0 HG3 LYS A1018 -1.293 17.878 -5.728 1.00 0.00 H new ATOM 0 HD2 LYS A1018 -1.002 17.169 -3.419 1.00 0.00 H new ATOM 0 HD3 LYS A1018 -1.693 18.663 -2.817 1.00 0.00 H new ATOM 0 HE2 LYS A1018 -3.130 16.495 -4.398 1.00 0.00 H new ATOM 0 HE3 LYS A1018 -3.382 16.908 -2.713 1.00 0.00 H new ATOM 0 HZ1 LYS A1018 -5.043 18.130 -3.574 1.00 0.00 H new ATOM 0 HZ2 LYS A1018 -3.823 19.277 -3.858 1.00 0.00 H new ATOM 0 HZ3 LYS A1018 -4.331 18.250 -5.111 1.00 0.00 H new ATOM 1588 N LYS A1019 1.594 18.349 -7.175 1.00 0.00 N ATOM 1589 CA LYS A1019 1.808 17.651 -8.439 1.00 0.00 C ATOM 1590 C LYS A1019 2.908 16.607 -8.283 1.00 0.00 C ATOM 1591 O LYS A1019 2.720 15.428 -8.580 1.00 0.00 O ATOM 1592 CB LYS A1019 2.218 18.668 -9.507 1.00 0.00 C ATOM 1593 CG LYS A1019 2.489 18.073 -10.882 1.00 0.00 C ATOM 1594 CD LYS A1019 3.374 18.994 -11.716 1.00 0.00 C ATOM 1595 CE LYS A1019 2.782 20.391 -11.861 1.00 0.00 C ATOM 1596 NZ LYS A1019 1.568 20.398 -12.717 1.00 0.00 N ATOM 0 H LYS A1019 1.722 19.359 -7.237 1.00 0.00 H new ATOM 0 HA LYS A1019 0.886 17.150 -8.735 1.00 0.00 H new ATOM 0 HB2 LYS A1019 1.430 19.416 -9.599 1.00 0.00 H new ATOM 0 HB3 LYS A1019 3.114 19.189 -9.169 1.00 0.00 H new ATOM 0 HG2 LYS A1019 2.971 17.102 -10.772 1.00 0.00 H new ATOM 0 HG3 LYS A1019 1.545 17.903 -11.400 1.00 0.00 H new ATOM 0 HD2 LYS A1019 4.358 19.065 -11.253 1.00 0.00 H new ATOM 0 HD3 LYS A1019 3.518 18.558 -12.705 1.00 0.00 H new ATOM 0 HE2 LYS A1019 2.532 20.782 -10.875 1.00 0.00 H new ATOM 0 HE3 LYS A1019 3.530 21.059 -12.288 1.00 0.00 H new ATOM 0 HZ1 LYS A1019 1.199 21.368 -12.788 1.00 0.00 H new ATOM 0 HZ2 LYS A1019 1.811 20.049 -13.666 1.00 0.00 H new ATOM 0 HZ3 LYS A1019 0.843 19.782 -12.297 1.00 0.00 H new ATOM 1610 N GLN A1020 4.066 17.080 -7.849 1.00 0.00 N ATOM 1611 CA GLN A1020 5.196 16.210 -7.536 1.00 0.00 C ATOM 1612 C GLN A1020 4.778 15.028 -6.659 1.00 0.00 C ATOM 1613 O GLN A1020 5.207 13.893 -6.891 1.00 0.00 O ATOM 1614 CB GLN A1020 6.309 17.007 -6.864 1.00 0.00 C ATOM 1615 CG GLN A1020 6.880 18.087 -7.764 1.00 0.00 C ATOM 1616 CD GLN A1020 8.017 18.857 -7.131 1.00 0.00 C ATOM 1617 OE1 GLN A1020 8.767 18.331 -6.310 1.00 0.00 O ATOM 1618 NE2 GLN A1020 8.160 20.108 -7.523 1.00 0.00 N ATOM 0 H GLN A1020 4.252 18.072 -7.703 1.00 0.00 H new ATOM 0 HA GLN A1020 5.569 15.803 -8.476 1.00 0.00 H new ATOM 0 HB2 GLN A1020 5.924 17.465 -5.953 1.00 0.00 H new ATOM 0 HB3 GLN A1020 7.108 16.328 -6.566 1.00 0.00 H new ATOM 0 HG2 GLN A1020 7.231 17.630 -8.689 1.00 0.00 H new ATOM 0 HG3 GLN A1020 6.085 18.783 -8.033 1.00 0.00 H new ATOM 0 HE21 GLN A1020 7.515 20.505 -8.206 1.00 0.00 H new ATOM 0 HE22 GLN A1020 8.915 20.678 -7.143 1.00 0.00 H new ATOM 1627 N MET A1021 3.923 15.276 -5.673 1.00 0.00 N ATOM 1628 CA MET A1021 3.473 14.205 -4.795 1.00 0.00 C ATOM 1629 C MET A1021 2.416 13.340 -5.483 1.00 0.00 C ATOM 1630 O MET A1021 2.226 12.191 -5.111 1.00 0.00 O ATOM 1631 CB MET A1021 2.923 14.748 -3.469 1.00 0.00 C ATOM 1632 CG MET A1021 1.408 14.894 -3.431 1.00 0.00 C ATOM 1633 SD MET A1021 0.767 15.038 -1.753 1.00 0.00 S ATOM 1634 CE MET A1021 1.467 16.610 -1.270 1.00 0.00 C ATOM 0 H MET A1021 3.533 16.195 -5.464 1.00 0.00 H new ATOM 0 HA MET A1021 4.344 13.589 -4.573 1.00 0.00 H new ATOM 0 HB2 MET A1021 3.232 14.084 -2.662 1.00 0.00 H new ATOM 0 HB3 MET A1021 3.375 15.720 -3.273 1.00 0.00 H new ATOM 0 HG2 MET A1021 1.117 15.775 -4.004 1.00 0.00 H new ATOM 0 HG3 MET A1021 0.951 14.032 -3.918 1.00 0.00 H new ATOM 0 HE1 MET A1021 1.426 16.709 -0.185 1.00 0.00 H new ATOM 0 HE2 MET A1021 2.504 16.663 -1.601 1.00 0.00 H new ATOM 0 HE3 MET A1021 0.898 17.418 -1.729 1.00 0.00 H new ATOM 1644 N LEU A1022 1.731 13.893 -6.476 1.00 0.00 N ATOM 1645 CA LEU A1022 0.712 13.152 -7.216 1.00 0.00 C ATOM 1646 C LEU A1022 1.368 12.067 -8.058 1.00 0.00 C ATOM 1647 O LEU A1022 0.864 10.948 -8.160 1.00 0.00 O ATOM 1648 CB LEU A1022 -0.105 14.097 -8.104 1.00 0.00 C ATOM 1649 CG LEU A1022 -1.188 13.425 -8.952 1.00 0.00 C ATOM 1650 CD1 LEU A1022 -2.236 12.767 -8.069 1.00 0.00 C ATOM 1651 CD2 LEU A1022 -1.837 14.435 -9.884 1.00 0.00 C ATOM 0 H LEU A1022 1.862 14.855 -6.790 1.00 0.00 H new ATOM 0 HA LEU A1022 0.034 12.684 -6.503 1.00 0.00 H new ATOM 0 HB2 LEU A1022 -0.577 14.848 -7.470 1.00 0.00 H new ATOM 0 HB3 LEU A1022 0.578 14.625 -8.769 1.00 0.00 H new ATOM 0 HG LEU A1022 -0.715 12.650 -9.555 1.00 0.00 H new ATOM 0 HD11 LEU A1022 -2.995 12.296 -8.694 1.00 0.00 H new ATOM 0 HD12 LEU A1022 -1.762 12.011 -7.443 1.00 0.00 H new ATOM 0 HD13 LEU A1022 -2.704 13.521 -7.436 1.00 0.00 H new ATOM 0 HD21 LEU A1022 -2.604 13.940 -10.479 1.00 0.00 H new ATOM 0 HD22 LEU A1022 -2.292 15.233 -9.296 1.00 0.00 H new ATOM 0 HD23 LEU A1022 -1.081 14.858 -10.546 1.00 0.00 H new ATOM 1663 N THR A1023 2.504 12.401 -8.648 1.00 0.00 N ATOM 1664 CA THR A1023 3.284 11.433 -9.398 1.00 0.00 C ATOM 1665 C THR A1023 3.807 10.343 -8.462 1.00 0.00 C ATOM 1666 O THR A1023 3.886 9.172 -8.829 1.00 0.00 O ATOM 1667 CB THR A1023 4.454 12.123 -10.125 1.00 0.00 C ATOM 1668 OG1 THR A1023 3.959 13.261 -10.848 1.00 0.00 O ATOM 1669 CG2 THR A1023 5.139 11.170 -11.092 1.00 0.00 C ATOM 0 H THR A1023 2.907 13.338 -8.621 1.00 0.00 H new ATOM 0 HA THR A1023 2.640 10.974 -10.148 1.00 0.00 H new ATOM 0 HB THR A1023 5.184 12.438 -9.380 1.00 0.00 H new ATOM 0 HG1 THR A1023 4.701 13.703 -11.310 1.00 0.00 H new ATOM 0 HG21 THR A1023 5.960 11.685 -11.590 1.00 0.00 H new ATOM 0 HG22 THR A1023 5.528 10.312 -10.543 1.00 0.00 H new ATOM 0 HG23 THR A1023 4.420 10.828 -11.837 1.00 0.00 H new ATOM 1677 N ALA A1024 4.109 10.736 -7.230 1.00 0.00 N ATOM 1678 CA ALA A1024 4.574 9.793 -6.222 1.00 0.00 C ATOM 1679 C ALA A1024 3.400 9.006 -5.649 1.00 0.00 C ATOM 1680 O ALA A1024 3.553 7.878 -5.185 1.00 0.00 O ATOM 1681 CB ALA A1024 5.320 10.525 -5.119 1.00 0.00 C ATOM 0 H ALA A1024 4.040 11.701 -6.906 1.00 0.00 H new ATOM 0 HA ALA A1024 5.261 9.089 -6.692 1.00 0.00 H new ATOM 0 HB1 ALA A1024 5.662 9.808 -4.373 1.00 0.00 H new ATOM 0 HB2 ALA A1024 6.179 11.044 -5.543 1.00 0.00 H new ATOM 0 HB3 ALA A1024 4.655 11.249 -4.648 1.00 0.00 H new ATOM 1687 N ALA A1025 2.220 9.614 -5.689 1.00 0.00 N ATOM 1688 CA ALA A1025 1.000 8.971 -5.220 1.00 0.00 C ATOM 1689 C ALA A1025 0.593 7.863 -6.172 1.00 0.00 C ATOM 1690 O ALA A1025 0.095 6.824 -5.749 1.00 0.00 O ATOM 1691 CB ALA A1025 -0.126 9.988 -5.081 1.00 0.00 C ATOM 0 H ALA A1025 2.083 10.560 -6.045 1.00 0.00 H new ATOM 0 HA ALA A1025 1.194 8.539 -4.238 1.00 0.00 H new ATOM 0 HB1 ALA A1025 -1.028 9.487 -4.730 1.00 0.00 H new ATOM 0 HB2 ALA A1025 0.164 10.757 -4.365 1.00 0.00 H new ATOM 0 HB3 ALA A1025 -0.321 10.449 -6.049 1.00 0.00 H new ATOM 1697 N HIS A1026 0.799 8.098 -7.461 1.00 0.00 N ATOM 1698 CA HIS A1026 0.540 7.082 -8.468 1.00 0.00 C ATOM 1699 C HIS A1026 1.520 5.930 -8.296 1.00 0.00 C ATOM 1700 O HIS A1026 1.139 4.764 -8.365 1.00 0.00 O ATOM 1701 CB HIS A1026 0.655 7.678 -9.877 1.00 0.00 C ATOM 1702 CG HIS A1026 0.347 6.706 -10.980 1.00 0.00 C ATOM 1703 ND1 HIS A1026 -0.842 6.707 -11.682 1.00 0.00 N ATOM 1704 CD2 HIS A1026 1.091 5.706 -11.512 1.00 0.00 C ATOM 1705 CE1 HIS A1026 -0.814 5.747 -12.588 1.00 0.00 C ATOM 1706 NE2 HIS A1026 0.345 5.128 -12.504 1.00 0.00 N ATOM 0 H HIS A1026 1.144 8.983 -7.832 1.00 0.00 H new ATOM 0 HA HIS A1026 -0.476 6.708 -8.340 1.00 0.00 H new ATOM 0 HB2 HIS A1026 -0.022 8.528 -9.957 1.00 0.00 H new ATOM 0 HB3 HIS A1026 1.666 8.061 -10.017 1.00 0.00 H new ATOM 0 HD2 HIS A1026 2.087 5.418 -11.210 1.00 0.00 H new ATOM 0 HE1 HIS A1026 -1.608 5.510 -13.281 1.00 0.00 H new ATOM 0 HE2 HIS A1026 0.640 4.343 -13.085 1.00 0.00 H new ATOM 1715 N ALA A1027 2.779 6.270 -8.057 1.00 0.00 N ATOM 1716 CA ALA A1027 3.814 5.271 -7.850 1.00 0.00 C ATOM 1717 C ALA A1027 3.525 4.429 -6.612 1.00 0.00 C ATOM 1718 O ALA A1027 3.498 3.204 -6.686 1.00 0.00 O ATOM 1719 CB ALA A1027 5.172 5.937 -7.739 1.00 0.00 C ATOM 0 H ALA A1027 3.107 7.234 -8.002 1.00 0.00 H new ATOM 0 HA ALA A1027 3.821 4.604 -8.712 1.00 0.00 H new ATOM 0 HB1 ALA A1027 5.938 5.177 -7.584 1.00 0.00 H new ATOM 0 HB2 ALA A1027 5.385 6.485 -8.657 1.00 0.00 H new ATOM 0 HB3 ALA A1027 5.171 6.628 -6.896 1.00 0.00 H new ATOM 1725 N LEU A1028 3.265 5.090 -5.488 1.00 0.00 N ATOM 1726 CA LEU A1028 2.994 4.387 -4.239 1.00 0.00 C ATOM 1727 C LEU A1028 1.698 3.574 -4.345 1.00 0.00 C ATOM 1728 O LEU A1028 1.574 2.506 -3.747 1.00 0.00 O ATOM 1729 CB LEU A1028 2.989 5.386 -3.053 1.00 0.00 C ATOM 1730 CG LEU A1028 1.860 5.253 -2.015 1.00 0.00 C ATOM 1731 CD1 LEU A1028 2.252 5.958 -0.734 1.00 0.00 C ATOM 1732 CD2 LEU A1028 0.555 5.846 -2.528 1.00 0.00 C ATOM 0 H LEU A1028 3.236 6.107 -5.416 1.00 0.00 H new ATOM 0 HA LEU A1028 3.791 3.670 -4.046 1.00 0.00 H new ATOM 0 HB2 LEU A1028 3.940 5.291 -2.529 1.00 0.00 H new ATOM 0 HB3 LEU A1028 2.951 6.395 -3.464 1.00 0.00 H new ATOM 0 HG LEU A1028 1.707 4.190 -1.829 1.00 0.00 H new ATOM 0 HD11 LEU A1028 1.448 5.860 -0.004 1.00 0.00 H new ATOM 0 HD12 LEU A1028 3.161 5.509 -0.335 1.00 0.00 H new ATOM 0 HD13 LEU A1028 2.429 7.014 -0.939 1.00 0.00 H new ATOM 0 HD21 LEU A1028 -0.219 5.734 -1.769 1.00 0.00 H new ATOM 0 HD22 LEU A1028 0.698 6.904 -2.747 1.00 0.00 H new ATOM 0 HD23 LEU A1028 0.251 5.325 -3.436 1.00 0.00 H new ATOM 1744 N ALA A1029 0.735 4.096 -5.102 1.00 0.00 N ATOM 1745 CA ALA A1029 -0.487 3.355 -5.410 1.00 0.00 C ATOM 1746 C ALA A1029 -0.175 2.033 -6.107 1.00 0.00 C ATOM 1747 O ALA A1029 -0.762 1.001 -5.786 1.00 0.00 O ATOM 1748 CB ALA A1029 -1.427 4.192 -6.264 1.00 0.00 C ATOM 0 H ALA A1029 0.777 5.028 -5.513 1.00 0.00 H new ATOM 0 HA ALA A1029 -0.981 3.131 -4.465 1.00 0.00 H new ATOM 0 HB1 ALA A1029 -2.329 3.620 -6.480 1.00 0.00 H new ATOM 0 HB2 ALA A1029 -1.695 5.101 -5.726 1.00 0.00 H new ATOM 0 HB3 ALA A1029 -0.932 4.456 -7.199 1.00 0.00 H new ATOM 1754 N VAL A1030 0.751 2.068 -7.059 1.00 0.00 N ATOM 1755 CA VAL A1030 1.179 0.859 -7.755 1.00 0.00 C ATOM 1756 C VAL A1030 1.919 -0.061 -6.800 1.00 0.00 C ATOM 1757 O VAL A1030 1.751 -1.278 -6.838 1.00 0.00 O ATOM 1758 CB VAL A1030 2.083 1.184 -8.969 1.00 0.00 C ATOM 1759 CG1 VAL A1030 2.553 -0.091 -9.655 1.00 0.00 C ATOM 1760 CG2 VAL A1030 1.352 2.078 -9.956 1.00 0.00 C ATOM 0 H VAL A1030 1.220 2.920 -7.367 1.00 0.00 H new ATOM 0 HA VAL A1030 0.283 0.361 -8.125 1.00 0.00 H new ATOM 0 HB VAL A1030 2.960 1.717 -8.602 1.00 0.00 H new ATOM 0 HG11 VAL A1030 3.186 0.165 -10.504 1.00 0.00 H new ATOM 0 HG12 VAL A1030 3.121 -0.696 -8.948 1.00 0.00 H new ATOM 0 HG13 VAL A1030 1.689 -0.656 -10.004 1.00 0.00 H new ATOM 0 HG21 VAL A1030 2.004 2.295 -10.802 1.00 0.00 H new ATOM 0 HG22 VAL A1030 0.454 1.571 -10.310 1.00 0.00 H new ATOM 0 HG23 VAL A1030 1.072 3.010 -9.465 1.00 0.00 H new ATOM 1770 N ASP A1031 2.721 0.531 -5.935 1.00 0.00 N ATOM 1771 CA ASP A1031 3.453 -0.218 -4.926 1.00 0.00 C ATOM 1772 C ASP A1031 2.493 -0.947 -3.987 1.00 0.00 C ATOM 1773 O ASP A1031 2.697 -2.125 -3.682 1.00 0.00 O ATOM 1774 CB ASP A1031 4.385 0.713 -4.159 1.00 0.00 C ATOM 1775 CG ASP A1031 5.623 1.071 -4.961 1.00 0.00 C ATOM 1776 OD1 ASP A1031 5.541 1.129 -6.209 1.00 0.00 O ATOM 1777 OD2 ASP A1031 6.682 1.295 -4.352 1.00 0.00 O ATOM 0 H ASP A1031 2.884 1.538 -5.910 1.00 0.00 H new ATOM 0 HA ASP A1031 4.061 -0.976 -5.421 1.00 0.00 H new ATOM 0 HB2 ASP A1031 3.849 1.625 -3.895 1.00 0.00 H new ATOM 0 HB3 ASP A1031 4.684 0.237 -3.225 1.00 0.00 H new ATOM 1782 N ALA A1032 1.437 -0.257 -3.542 1.00 0.00 N ATOM 1783 CA ALA A1032 0.326 -0.916 -2.866 1.00 0.00 C ATOM 1784 C ALA A1032 -0.230 -2.049 -3.735 1.00 0.00 C ATOM 1785 O ALA A1032 -0.204 -3.211 -3.348 1.00 0.00 O ATOM 1786 CB ALA A1032 -0.776 0.099 -2.601 1.00 0.00 C ATOM 0 H ALA A1032 1.333 0.753 -3.640 1.00 0.00 H new ATOM 0 HA ALA A1032 0.683 -1.333 -1.925 1.00 0.00 H new ATOM 0 HB1 ALA A1032 -1.608 -0.391 -2.096 1.00 0.00 H new ATOM 0 HB2 ALA A1032 -0.389 0.900 -1.971 1.00 0.00 H new ATOM 0 HB3 ALA A1032 -1.121 0.517 -3.547 1.00 0.00 H new ATOM 1792 N LYS A1033 -0.640 -1.702 -4.948 1.00 0.00 N ATOM 1793 CA LYS A1033 -1.370 -2.632 -5.810 1.00 0.00 C ATOM 1794 C LYS A1033 -0.534 -3.830 -6.261 1.00 0.00 C ATOM 1795 O LYS A1033 -1.089 -4.873 -6.606 1.00 0.00 O ATOM 1796 CB LYS A1033 -1.969 -1.909 -7.015 1.00 0.00 C ATOM 1797 CG LYS A1033 -3.158 -1.042 -6.648 1.00 0.00 C ATOM 1798 CD LYS A1033 -3.929 -0.587 -7.873 1.00 0.00 C ATOM 1799 CE LYS A1033 -5.248 0.056 -7.476 1.00 0.00 C ATOM 1800 NZ LYS A1033 -6.090 0.388 -8.654 1.00 0.00 N ATOM 0 H LYS A1033 -0.481 -0.783 -5.361 1.00 0.00 H new ATOM 0 HA LYS A1033 -2.178 -3.034 -5.199 1.00 0.00 H new ATOM 0 HB2 LYS A1033 -1.202 -1.289 -7.479 1.00 0.00 H new ATOM 0 HB3 LYS A1033 -2.277 -2.644 -7.758 1.00 0.00 H new ATOM 0 HG2 LYS A1033 -3.823 -1.599 -5.987 1.00 0.00 H new ATOM 0 HG3 LYS A1033 -2.813 -0.170 -6.092 1.00 0.00 H new ATOM 0 HD2 LYS A1033 -3.330 0.124 -8.441 1.00 0.00 H new ATOM 0 HD3 LYS A1033 -4.117 -1.439 -8.526 1.00 0.00 H new ATOM 0 HE2 LYS A1033 -5.796 -0.620 -6.819 1.00 0.00 H new ATOM 0 HE3 LYS A1033 -5.050 0.964 -6.906 1.00 0.00 H new ATOM 0 HZ1 LYS A1033 -6.978 0.824 -8.334 1.00 0.00 H new ATOM 0 HZ2 LYS A1033 -5.580 1.053 -9.269 1.00 0.00 H new ATOM 0 HZ3 LYS A1033 -6.302 -0.481 -9.185 1.00 0.00 H new ATOM 1814 N ASN A1034 0.783 -3.705 -6.259 1.00 0.00 N ATOM 1815 CA ASN A1034 1.631 -4.843 -6.589 1.00 0.00 C ATOM 1816 C ASN A1034 1.629 -5.838 -5.437 1.00 0.00 C ATOM 1817 O ASN A1034 1.517 -7.037 -5.645 1.00 0.00 O ATOM 1818 CB ASN A1034 3.068 -4.422 -6.894 1.00 0.00 C ATOM 1819 CG ASN A1034 3.857 -5.557 -7.531 1.00 0.00 C ATOM 1820 OD1 ASN A1034 3.327 -6.311 -8.347 1.00 0.00 O ATOM 1821 ND2 ASN A1034 5.113 -5.706 -7.149 1.00 0.00 N ATOM 0 H ASN A1034 1.283 -2.844 -6.037 1.00 0.00 H new ATOM 0 HA ASN A1034 1.222 -5.305 -7.487 1.00 0.00 H new ATOM 0 HB2 ASN A1034 3.062 -3.561 -7.563 1.00 0.00 H new ATOM 0 HB3 ASN A1034 3.560 -4.107 -5.973 1.00 0.00 H new ATOM 0 HD21 ASN A1034 5.676 -6.465 -7.533 1.00 0.00 H new ATOM 0 HD22 ASN A1034 5.520 -5.062 -6.470 1.00 0.00 H new ATOM 1828 N LEU A1035 1.689 -5.310 -4.218 1.00 0.00 N ATOM 1829 CA LEU A1035 1.726 -6.131 -3.003 1.00 0.00 C ATOM 1830 C LEU A1035 0.308 -6.674 -2.756 1.00 0.00 C ATOM 1831 O LEU A1035 0.122 -7.733 -2.165 1.00 0.00 O ATOM 1832 CB LEU A1035 2.259 -5.258 -1.838 1.00 0.00 C ATOM 1833 CG LEU A1035 2.593 -5.944 -0.502 1.00 0.00 C ATOM 1834 CD1 LEU A1035 1.345 -6.368 0.245 1.00 0.00 C ATOM 1835 CD2 LEU A1035 3.521 -7.125 -0.716 1.00 0.00 C ATOM 0 H LEU A1035 1.713 -4.306 -4.040 1.00 0.00 H new ATOM 0 HA LEU A1035 2.396 -6.986 -3.096 1.00 0.00 H new ATOM 0 HB2 LEU A1035 3.160 -4.754 -2.187 1.00 0.00 H new ATOM 0 HB3 LEU A1035 1.518 -4.484 -1.637 1.00 0.00 H new ATOM 0 HG LEU A1035 3.108 -5.209 0.117 1.00 0.00 H new ATOM 0 HD11 LEU A1035 1.627 -6.848 1.182 1.00 0.00 H new ATOM 0 HD12 LEU A1035 0.732 -5.492 0.456 1.00 0.00 H new ATOM 0 HD13 LEU A1035 0.777 -7.070 -0.365 1.00 0.00 H new ATOM 0 HD21 LEU A1035 3.742 -7.593 0.243 1.00 0.00 H new ATOM 0 HD22 LEU A1035 3.040 -7.851 -1.372 1.00 0.00 H new ATOM 0 HD23 LEU A1035 4.448 -6.781 -1.174 1.00 0.00 H new ATOM 1847 N LEU A1036 -0.676 -5.933 -3.258 1.00 0.00 N ATOM 1848 CA LEU A1036 -2.065 -6.371 -3.329 1.00 0.00 C ATOM 1849 C LEU A1036 -2.132 -7.698 -4.054 1.00 0.00 C ATOM 1850 O LEU A1036 -2.670 -8.673 -3.550 1.00 0.00 O ATOM 1851 CB LEU A1036 -2.887 -5.301 -4.087 1.00 0.00 C ATOM 1852 CG LEU A1036 -4.397 -5.523 -4.203 1.00 0.00 C ATOM 1853 CD1 LEU A1036 -4.728 -6.466 -5.350 1.00 0.00 C ATOM 1854 CD2 LEU A1036 -4.948 -6.055 -2.903 1.00 0.00 C ATOM 0 H LEU A1036 -0.527 -4.996 -3.633 1.00 0.00 H new ATOM 0 HA LEU A1036 -2.476 -6.496 -2.327 1.00 0.00 H new ATOM 0 HB2 LEU A1036 -2.725 -4.342 -3.596 1.00 0.00 H new ATOM 0 HB3 LEU A1036 -2.481 -5.216 -5.095 1.00 0.00 H new ATOM 0 HG LEU A1036 -4.866 -4.562 -4.416 1.00 0.00 H new ATOM 0 HD11 LEU A1036 -5.808 -6.604 -5.407 1.00 0.00 H new ATOM 0 HD12 LEU A1036 -4.366 -6.041 -6.286 1.00 0.00 H new ATOM 0 HD13 LEU A1036 -4.247 -7.429 -5.179 1.00 0.00 H new ATOM 0 HD21 LEU A1036 -6.023 -6.208 -2.999 1.00 0.00 H new ATOM 0 HD22 LEU A1036 -4.466 -7.003 -2.664 1.00 0.00 H new ATOM 0 HD23 LEU A1036 -4.754 -5.338 -2.105 1.00 0.00 H new ATOM 1866 N ASP A1037 -1.524 -7.710 -5.223 1.00 0.00 N ATOM 1867 CA ASP A1037 -1.507 -8.884 -6.073 1.00 0.00 C ATOM 1868 C ASP A1037 -0.582 -9.915 -5.457 1.00 0.00 C ATOM 1869 O ASP A1037 -0.839 -11.112 -5.502 1.00 0.00 O ATOM 1870 CB ASP A1037 -1.047 -8.513 -7.483 1.00 0.00 C ATOM 1871 CG ASP A1037 -1.267 -9.632 -8.478 1.00 0.00 C ATOM 1872 OD1 ASP A1037 -2.417 -9.800 -8.941 1.00 0.00 O ATOM 1873 OD2 ASP A1037 -0.297 -10.337 -8.815 1.00 0.00 O ATOM 0 H ASP A1037 -1.028 -6.907 -5.611 1.00 0.00 H new ATOM 0 HA ASP A1037 -2.511 -9.300 -6.152 1.00 0.00 H new ATOM 0 HB2 ASP A1037 -1.585 -7.625 -7.815 1.00 0.00 H new ATOM 0 HB3 ASP A1037 0.012 -8.255 -7.460 1.00 0.00 H new ATOM 1878 N VAL A1038 0.490 -9.409 -4.862 1.00 0.00 N ATOM 1879 CA VAL A1038 1.438 -10.218 -4.109 1.00 0.00 C ATOM 1880 C VAL A1038 0.754 -11.087 -3.063 1.00 0.00 C ATOM 1881 O VAL A1038 0.860 -12.305 -3.111 1.00 0.00 O ATOM 1882 CB VAL A1038 2.480 -9.327 -3.396 1.00 0.00 C ATOM 1883 CG1 VAL A1038 3.187 -10.092 -2.289 1.00 0.00 C ATOM 1884 CG2 VAL A1038 3.491 -8.781 -4.390 1.00 0.00 C ATOM 0 H VAL A1038 0.728 -8.417 -4.889 1.00 0.00 H new ATOM 0 HA VAL A1038 1.929 -10.865 -4.836 1.00 0.00 H new ATOM 0 HB VAL A1038 1.949 -8.489 -2.945 1.00 0.00 H new ATOM 0 HG11 VAL A1038 3.915 -9.441 -1.804 1.00 0.00 H new ATOM 0 HG12 VAL A1038 2.455 -10.429 -1.555 1.00 0.00 H new ATOM 0 HG13 VAL A1038 3.699 -10.956 -2.713 1.00 0.00 H new ATOM 0 HG21 VAL A1038 4.215 -8.157 -3.867 1.00 0.00 H new ATOM 0 HG22 VAL A1038 4.009 -9.609 -4.874 1.00 0.00 H new ATOM 0 HG23 VAL A1038 2.975 -8.185 -5.143 1.00 0.00 H new ATOM 1894 N ILE A1039 0.067 -10.461 -2.115 1.00 0.00 N ATOM 1895 CA ILE A1039 -0.466 -11.190 -0.981 1.00 0.00 C ATOM 1896 C ILE A1039 -1.868 -11.717 -1.240 1.00 0.00 C ATOM 1897 O ILE A1039 -2.280 -12.695 -0.615 1.00 0.00 O ATOM 1898 CB ILE A1039 -0.415 -10.384 0.328 1.00 0.00 C ATOM 1899 CG1 ILE A1039 -1.233 -9.105 0.240 1.00 0.00 C ATOM 1900 CG2 ILE A1039 1.026 -10.062 0.680 1.00 0.00 C ATOM 1901 CD1 ILE A1039 -1.192 -8.302 1.519 1.00 0.00 C ATOM 0 H ILE A1039 -0.130 -9.460 -2.112 1.00 0.00 H new ATOM 0 HA ILE A1039 0.193 -12.049 -0.853 1.00 0.00 H new ATOM 0 HB ILE A1039 -0.854 -10.998 1.114 1.00 0.00 H new ATOM 0 HG12 ILE A1039 -0.858 -8.494 -0.581 1.00 0.00 H new ATOM 0 HG13 ILE A1039 -2.268 -9.355 0.005 1.00 0.00 H new ATOM 0 HG21 ILE A1039 1.055 -9.491 1.608 1.00 0.00 H new ATOM 0 HG22 ILE A1039 1.585 -10.989 0.807 1.00 0.00 H new ATOM 0 HG23 ILE A1039 1.474 -9.474 -0.122 1.00 0.00 H new ATOM 0 HD11 ILE A1039 -1.792 -7.400 1.401 1.00 0.00 H new ATOM 0 HD12 ILE A1039 -1.593 -8.900 2.337 1.00 0.00 H new ATOM 0 HD13 ILE A1039 -0.161 -8.026 1.742 1.00 0.00 H new ATOM 1913 N ASP A1040 -2.612 -11.090 -2.150 1.00 0.00 N ATOM 1914 CA ASP A1040 -3.786 -11.762 -2.699 1.00 0.00 C ATOM 1915 C ASP A1040 -3.338 -13.111 -3.230 1.00 0.00 C ATOM 1916 O ASP A1040 -3.901 -14.157 -2.895 1.00 0.00 O ATOM 1917 CB ASP A1040 -4.452 -10.954 -3.820 1.00 0.00 C ATOM 1918 CG ASP A1040 -5.452 -11.778 -4.613 1.00 0.00 C ATOM 1919 OD1 ASP A1040 -6.182 -12.585 -4.005 1.00 0.00 O ATOM 1920 OD2 ASP A1040 -5.510 -11.630 -5.853 1.00 0.00 O ATOM 0 H ASP A1040 -2.433 -10.153 -2.511 1.00 0.00 H new ATOM 0 HA ASP A1040 -4.530 -11.872 -1.910 1.00 0.00 H new ATOM 0 HB2 ASP A1040 -4.958 -10.090 -3.390 1.00 0.00 H new ATOM 0 HB3 ASP A1040 -3.685 -10.572 -4.494 1.00 0.00 H new ATOM 1925 N GLN A1041 -2.262 -13.081 -3.998 1.00 0.00 N ATOM 1926 CA GLN A1041 -1.678 -14.299 -4.509 1.00 0.00 C ATOM 1927 C GLN A1041 -0.934 -15.048 -3.424 1.00 0.00 C ATOM 1928 O GLN A1041 -0.700 -16.217 -3.584 1.00 0.00 O ATOM 1929 CB GLN A1041 -0.771 -14.072 -5.712 1.00 0.00 C ATOM 1930 CG GLN A1041 -1.538 -13.882 -7.011 1.00 0.00 C ATOM 1931 CD GLN A1041 -0.669 -14.075 -8.237 1.00 0.00 C ATOM 1932 OE1 GLN A1041 -0.519 -15.191 -8.736 1.00 0.00 O ATOM 1933 NE2 GLN A1041 -0.099 -12.997 -8.741 1.00 0.00 N ATOM 0 H GLN A1041 -1.780 -12.227 -4.278 1.00 0.00 H new ATOM 0 HA GLN A1041 -2.514 -14.908 -4.853 1.00 0.00 H new ATOM 0 HB2 GLN A1041 -0.151 -13.194 -5.531 1.00 0.00 H new ATOM 0 HB3 GLN A1041 -0.097 -14.922 -5.816 1.00 0.00 H new ATOM 0 HG2 GLN A1041 -2.368 -14.588 -7.044 1.00 0.00 H new ATOM 0 HG3 GLN A1041 -1.969 -12.881 -7.030 1.00 0.00 H new ATOM 0 HE21 GLN A1041 -0.246 -12.089 -8.300 1.00 0.00 H new ATOM 0 HE22 GLN A1041 0.489 -13.072 -9.571 1.00 0.00 H new ATOM 1942 N ALA A1042 -0.521 -14.377 -2.347 1.00 0.00 N ATOM 1943 CA ALA A1042 0.038 -15.071 -1.188 1.00 0.00 C ATOM 1944 C ALA A1042 -0.908 -16.162 -0.709 1.00 0.00 C ATOM 1945 O ALA A1042 -0.523 -17.318 -0.574 1.00 0.00 O ATOM 1946 CB ALA A1042 0.300 -14.111 -0.047 1.00 0.00 C ATOM 0 H ALA A1042 -0.563 -13.362 -2.254 1.00 0.00 H new ATOM 0 HA ALA A1042 0.982 -15.516 -1.501 1.00 0.00 H new ATOM 0 HB1 ALA A1042 0.715 -14.657 0.800 1.00 0.00 H new ATOM 0 HB2 ALA A1042 1.008 -13.348 -0.369 1.00 0.00 H new ATOM 0 HB3 ALA A1042 -0.635 -13.636 0.251 1.00 0.00 H new ATOM 1952 N ARG A1043 -2.150 -15.787 -0.448 1.00 0.00 N ATOM 1953 CA ARG A1043 -3.180 -16.769 -0.120 1.00 0.00 C ATOM 1954 C ARG A1043 -3.252 -17.867 -1.194 1.00 0.00 C ATOM 1955 O ARG A1043 -3.504 -19.033 -0.890 1.00 0.00 O ATOM 1956 CB ARG A1043 -4.537 -16.081 0.052 1.00 0.00 C ATOM 1957 CG ARG A1043 -5.015 -16.017 1.499 1.00 0.00 C ATOM 1958 CD ARG A1043 -3.979 -15.397 2.428 1.00 0.00 C ATOM 1959 NE ARG A1043 -4.527 -15.152 3.763 1.00 0.00 N ATOM 1960 CZ ARG A1043 -3.833 -15.227 4.899 1.00 0.00 C ATOM 1961 NH1 ARG A1043 -2.545 -15.542 4.889 1.00 0.00 N ATOM 1962 NH2 ARG A1043 -4.432 -14.975 6.051 1.00 0.00 N ATOM 0 H ARG A1043 -2.471 -14.819 -0.456 1.00 0.00 H new ATOM 0 HA ARG A1043 -2.915 -17.244 0.825 1.00 0.00 H new ATOM 0 HB2 ARG A1043 -4.473 -15.068 -0.345 1.00 0.00 H new ATOM 0 HB3 ARG A1043 -5.281 -16.611 -0.544 1.00 0.00 H new ATOM 0 HG2 ARG A1043 -5.936 -15.437 1.549 1.00 0.00 H new ATOM 0 HG3 ARG A1043 -5.253 -17.023 1.845 1.00 0.00 H new ATOM 0 HD2 ARG A1043 -3.116 -16.059 2.505 1.00 0.00 H new ATOM 0 HD3 ARG A1043 -3.624 -14.458 2.002 1.00 0.00 H new ATOM 0 HE ARG A1043 -5.514 -14.905 3.829 1.00 0.00 H new ATOM 0 HH11 ARG A1043 -2.073 -15.731 4.005 1.00 0.00 H new ATOM 0 HH12 ARG A1043 -2.026 -15.596 5.766 1.00 0.00 H new ATOM 0 HH21 ARG A1043 -5.421 -14.725 6.068 1.00 0.00 H new ATOM 0 HH22 ARG A1043 -3.905 -15.031 6.923 1.00 0.00 H new ATOM 1976 N LEU A1044 -3.018 -17.491 -2.446 1.00 0.00 N ATOM 1977 CA LEU A1044 -2.926 -18.467 -3.539 1.00 0.00 C ATOM 1978 C LEU A1044 -1.615 -19.247 -3.477 1.00 0.00 C ATOM 1979 O LEU A1044 -1.586 -20.417 -3.819 1.00 0.00 O ATOM 1980 CB LEU A1044 -3.079 -17.753 -4.884 1.00 0.00 C ATOM 1981 CG LEU A1044 -3.233 -18.622 -6.145 1.00 0.00 C ATOM 1982 CD1 LEU A1044 -1.895 -19.175 -6.618 1.00 0.00 C ATOM 1983 CD2 LEU A1044 -4.224 -19.748 -5.898 1.00 0.00 C ATOM 0 H LEU A1044 -2.888 -16.521 -2.735 1.00 0.00 H new ATOM 0 HA LEU A1044 -3.736 -19.189 -3.430 1.00 0.00 H new ATOM 0 HB2 LEU A1044 -3.949 -17.100 -4.819 1.00 0.00 H new ATOM 0 HB3 LEU A1044 -2.209 -17.112 -5.024 1.00 0.00 H new ATOM 0 HG LEU A1044 -3.620 -17.984 -6.940 1.00 0.00 H new ATOM 0 HD11 LEU A1044 -2.047 -19.783 -7.510 1.00 0.00 H new ATOM 0 HD12 LEU A1044 -1.222 -18.350 -6.852 1.00 0.00 H new ATOM 0 HD13 LEU A1044 -1.456 -19.789 -5.831 1.00 0.00 H new ATOM 0 HD21 LEU A1044 -4.320 -20.352 -6.800 1.00 0.00 H new ATOM 0 HD22 LEU A1044 -3.868 -20.373 -5.079 1.00 0.00 H new ATOM 0 HD23 LEU A1044 -5.195 -19.327 -5.638 1.00 0.00 H new ATOM 1995 N LYS A1045 -0.538 -18.598 -3.038 1.00 0.00 N ATOM 1996 CA LYS A1045 0.751 -19.257 -2.842 1.00 0.00 C ATOM 1997 C LYS A1045 0.552 -20.425 -1.907 1.00 0.00 C ATOM 1998 O LYS A1045 1.261 -21.427 -1.968 1.00 0.00 O ATOM 1999 CB LYS A1045 1.788 -18.314 -2.211 1.00 0.00 C ATOM 2000 CG LYS A1045 2.050 -17.016 -2.956 1.00 0.00 C ATOM 2001 CD LYS A1045 2.634 -17.236 -4.344 1.00 0.00 C ATOM 2002 CE LYS A1045 2.966 -15.908 -5.011 1.00 0.00 C ATOM 2003 NZ LYS A1045 3.512 -16.082 -6.382 1.00 0.00 N ATOM 0 H LYS A1045 -0.534 -17.604 -2.809 1.00 0.00 H new ATOM 0 HA LYS A1045 1.121 -19.574 -3.817 1.00 0.00 H new ATOM 0 HB2 LYS A1045 1.460 -18.070 -1.201 1.00 0.00 H new ATOM 0 HB3 LYS A1045 2.731 -18.853 -2.118 1.00 0.00 H new ATOM 0 HG2 LYS A1045 1.117 -16.459 -3.044 1.00 0.00 H new ATOM 0 HG3 LYS A1045 2.735 -16.400 -2.373 1.00 0.00 H new ATOM 0 HD2 LYS A1045 3.534 -17.846 -4.271 1.00 0.00 H new ATOM 0 HD3 LYS A1045 1.923 -17.788 -4.959 1.00 0.00 H new ATOM 0 HE2 LYS A1045 2.067 -15.293 -5.056 1.00 0.00 H new ATOM 0 HE3 LYS A1045 3.690 -15.369 -4.400 1.00 0.00 H new ATOM 0 HZ1 LYS A1045 3.999 -15.211 -6.675 1.00 0.00 H new ATOM 0 HZ2 LYS A1045 4.186 -16.874 -6.389 1.00 0.00 H new ATOM 0 HZ3 LYS A1045 2.734 -16.283 -7.042 1.00 0.00 H new ATOM 2017 N MET A1046 -0.443 -20.286 -1.051 1.00 0.00 N ATOM 2018 CA MET A1046 -0.750 -21.319 -0.088 1.00 0.00 C ATOM 2019 C MET A1046 -1.375 -22.500 -0.806 1.00 0.00 C ATOM 2020 O MET A1046 -0.981 -23.644 -0.598 1.00 0.00 O ATOM 2021 CB MET A1046 -1.690 -20.793 0.988 1.00 0.00 C ATOM 2022 CG MET A1046 -1.988 -21.812 2.072 1.00 0.00 C ATOM 2023 SD MET A1046 -3.135 -21.191 3.320 1.00 0.00 S ATOM 2024 CE MET A1046 -2.190 -19.838 4.012 1.00 0.00 C ATOM 0 H MET A1046 -1.050 -19.468 -1.005 1.00 0.00 H new ATOM 0 HA MET A1046 0.171 -21.637 0.400 1.00 0.00 H new ATOM 0 HB2 MET A1046 -1.250 -19.906 1.443 1.00 0.00 H new ATOM 0 HB3 MET A1046 -2.626 -20.482 0.523 1.00 0.00 H new ATOM 0 HG2 MET A1046 -2.406 -22.709 1.616 1.00 0.00 H new ATOM 0 HG3 MET A1046 -1.056 -22.105 2.555 1.00 0.00 H new ATOM 0 HE1 MET A1046 -2.594 -19.574 4.989 1.00 0.00 H new ATOM 0 HE2 MET A1046 -1.148 -20.140 4.120 1.00 0.00 H new ATOM 0 HE3 MET A1046 -2.251 -18.975 3.349 1.00 0.00 H new ATOM 2034 N ILE A1047 -2.336 -22.210 -1.673 1.00 0.00 N ATOM 2035 CA ILE A1047 -2.952 -23.236 -2.503 1.00 0.00 C ATOM 2036 C ILE A1047 -1.916 -23.817 -3.462 1.00 0.00 C ATOM 2037 O ILE A1047 -1.857 -25.028 -3.669 1.00 0.00 O ATOM 2038 CB ILE A1047 -4.140 -22.668 -3.311 1.00 0.00 C ATOM 2039 CG1 ILE A1047 -5.129 -21.960 -2.378 1.00 0.00 C ATOM 2040 CG2 ILE A1047 -4.839 -23.772 -4.096 1.00 0.00 C ATOM 2041 CD1 ILE A1047 -5.644 -22.835 -1.255 1.00 0.00 C ATOM 0 H ILE A1047 -2.706 -21.271 -1.820 1.00 0.00 H new ATOM 0 HA ILE A1047 -3.329 -24.019 -1.845 1.00 0.00 H new ATOM 0 HB ILE A1047 -3.753 -21.940 -4.024 1.00 0.00 H new ATOM 0 HG12 ILE A1047 -4.645 -21.082 -1.949 1.00 0.00 H new ATOM 0 HG13 ILE A1047 -5.975 -21.603 -2.965 1.00 0.00 H new ATOM 0 HG21 ILE A1047 -5.672 -23.348 -4.657 1.00 0.00 H new ATOM 0 HG22 ILE A1047 -4.132 -24.231 -4.787 1.00 0.00 H new ATOM 0 HG23 ILE A1047 -5.214 -24.528 -3.406 1.00 0.00 H new ATOM 0 HD11 ILE A1047 -6.338 -22.264 -0.638 1.00 0.00 H new ATOM 0 HD12 ILE A1047 -6.158 -23.700 -1.674 1.00 0.00 H new ATOM 0 HD13 ILE A1047 -4.807 -23.172 -0.643 1.00 0.00 H new ATOM 2053 N SER A1048 -1.100 -22.929 -4.025 1.00 0.00 N ATOM 2054 CA SER A1048 0.012 -23.302 -4.900 1.00 0.00 C ATOM 2055 C SER A1048 0.920 -24.339 -4.234 1.00 0.00 C ATOM 2056 O SER A1048 1.376 -25.288 -4.876 1.00 0.00 O ATOM 2057 CB SER A1048 0.829 -22.047 -5.256 1.00 0.00 C ATOM 2058 OG SER A1048 1.800 -22.320 -6.254 1.00 0.00 O ATOM 0 H SER A1048 -1.191 -21.923 -3.887 1.00 0.00 H new ATOM 0 HA SER A1048 -0.400 -23.746 -5.806 1.00 0.00 H new ATOM 0 HB2 SER A1048 0.158 -21.263 -5.606 1.00 0.00 H new ATOM 0 HB3 SER A1048 1.323 -21.668 -4.361 1.00 0.00 H new ATOM 0 HG SER A1048 2.299 -21.502 -6.457 1.00 0.00 H new ATOM 2064 N GLN A1049 1.185 -24.147 -2.949 1.00 0.00 N ATOM 2065 CA GLN A1049 2.055 -25.041 -2.199 1.00 0.00 C ATOM 2066 C GLN A1049 1.285 -26.284 -1.756 1.00 0.00 C ATOM 2067 O GLN A1049 1.852 -27.369 -1.635 1.00 0.00 O ATOM 2068 CB GLN A1049 2.634 -24.287 -0.991 1.00 0.00 C ATOM 2069 CG GLN A1049 3.793 -24.982 -0.286 1.00 0.00 C ATOM 2070 CD GLN A1049 3.350 -26.053 0.693 1.00 0.00 C ATOM 2071 OE1 GLN A1049 2.269 -25.970 1.279 1.00 0.00 O ATOM 2072 NE2 GLN A1049 4.191 -27.051 0.893 1.00 0.00 N ATOM 0 H GLN A1049 0.807 -23.374 -2.401 1.00 0.00 H new ATOM 0 HA GLN A1049 2.877 -25.371 -2.834 1.00 0.00 H new ATOM 0 HB2 GLN A1049 2.969 -23.304 -1.323 1.00 0.00 H new ATOM 0 HB3 GLN A1049 1.835 -24.124 -0.268 1.00 0.00 H new ATOM 0 HG2 GLN A1049 4.446 -25.432 -1.034 1.00 0.00 H new ATOM 0 HG3 GLN A1049 4.384 -24.237 0.246 1.00 0.00 H new ATOM 0 HE21 GLN A1049 5.076 -27.081 0.387 1.00 0.00 H new ATOM 0 HE22 GLN A1049 3.956 -27.792 1.554 1.00 0.00 H new