USER MOD reduce.3.24.130724 H: found=0, std=0, add=1036, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 1035 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: A1010 MET CE :methyl -139:sc= -7.43! (180deg=-10.6!) USER MOD Set 1.2: A1011 THR OG1 : rot 72:sc= 0.176 USER MOD Set 2.1: A 939 MET CE :methyl -113:sc= -1.75 (180deg=-4.31!) USER MOD Set 2.2: A1021 MET CE :methyl -162:sc= -2.3 (180deg=-3.24!) USER MOD Set 3.1: A 922 ASN : amide:sc= -5.14 K(o=-5.1,f=-6.3!) USER MOD Set 3.2: A 926 TYR OH : rot 65:sc=0.000952 USER MOD Single : A 924 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 928 ASN : amide:sc= -1.35 K(o=-1.4,f=-4.3!) USER MOD Single : A 930 THR OG1 : rot -116:sc= -0.464 USER MOD Single : A 934 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 940 SER OG : rot 67:sc= 0.886 USER MOD Single : A 941 SER OG : rot 180:sc= 0 USER MOD Single : A 942 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 944 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 951 TYR OH : rot 130:sc= -0.802 USER MOD Single : A 954 MET CE :methyl 164:sc= -5.21 (180deg=-6.66!) USER MOD Single : A 956 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 964 THR OG1 : rot 180:sc= 0 USER MOD Single : A 968 THR OG1 : rot 80:sc= 0.39 USER MOD Single : A 972 SER OG : rot -130:sc= -3.38! USER MOD Single : A 979 SER OG : rot 140:sc= 0 USER MOD Single : A 980 THR OG1 : rot 50:sc= -3.26! USER MOD Single : A 981 HIS : no HE2:sc= -3.9! C(o=-3.9!,f=-11!) USER MOD Single : A 986 MET CE :methyl -140:sc= 0 (180deg=-0.0902) USER MOD Single : A 988 GLN : amide:sc= -1.68 K(o=-1.7,f=-4.5!) USER MOD Single : A 989 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 992 ASN : amide:sc=-0.00693 X(o=-0.0069,f=-0.0062) USER MOD Single : A 993 SER OG : rot 180:sc= 0 USER MOD Single : A1000 ASN : amide:sc= -0.167 K(o=-0.17,f=-2!) USER MOD Single : A1001 LYS NZ :NH3+ 180:sc= -0.0285 (180deg=-0.0285) USER MOD Single : A1002 MET CE :methyl 165:sc= -0.0319 (180deg=-0.854) USER MOD Single : A1003 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A1006 GLN : amide:sc= -0.0128 X(o=-0.013,f=0) USER MOD Single : A1007 GLN : amide:sc= -0.0646 K(o=-0.065,f=-1.9!) USER MOD Single : A1008 TYR OH : rot 180:sc= 0 USER MOD Single : A1012 SER OG : rot 180:sc= -0.537 USER MOD Single : A1014 GLN : amide:sc= -0.152 X(o=-0.15,f=-0.12) USER MOD Single : A1015 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A1017 TYR OH : rot 103:sc= 0.95 USER MOD Single : A1018 LYS NZ :NH3+ -127:sc= 0.0386 (180deg=0) USER MOD Single : A1019 LYS NZ :NH3+ -164:sc= 0 (180deg=-0.136) USER MOD Single : A1020 GLN : amide:sc= -0.648 K(o=-0.65,f=-3!) USER MOD Single : A1023 THR OG1 : rot 180:sc= 0.135 USER MOD Single : A1026 HIS : no HD1:sc= -0.15 X(o=-0.15,f=-0.4) USER MOD Single : A1033 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A1034 ASN : amide:sc= -0.284 K(o=-0.28,f=-2.8!) USER MOD Single : A1041 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A1045 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00985) USER MOD Single : A1046 MET CE :methyl 160:sc= -0.092 (180deg=-0.753) USER MOD ----------------------------------------------------------------- ATOM 107 N ASN A 922 5.906 -9.921 -5.970 1.00 0.00 N ATOM 108 CA ASN A 922 5.530 -9.297 -4.713 1.00 0.00 C ATOM 109 C ASN A 922 6.331 -8.006 -4.530 1.00 0.00 C ATOM 110 O ASN A 922 5.986 -7.171 -3.695 1.00 0.00 O ATOM 111 CB ASN A 922 5.837 -10.216 -3.529 1.00 0.00 C ATOM 112 CG ASN A 922 4.555 -10.612 -2.795 1.00 0.00 C ATOM 113 OD1 ASN A 922 3.679 -9.803 -2.541 1.00 0.00 O ATOM 114 ND2 ASN A 922 4.494 -11.901 -2.471 1.00 0.00 N ATOM 0 HA ASN A 922 4.460 -9.094 -4.744 1.00 0.00 H new ATOM 0 HB2 ASN A 922 6.349 -11.111 -3.882 1.00 0.00 H new ATOM 0 HB3 ASN A 922 6.514 -9.712 -2.839 1.00 0.00 H new ATOM 0 HD21 ASN A 922 3.678 -12.265 -1.980 1.00 0.00 H new ATOM 0 HD22 ASN A 922 5.264 -12.525 -2.714 1.00 0.00 H new ATOM 121 N ASP A 923 7.384 -7.883 -5.324 1.00 0.00 N ATOM 122 CA ASP A 923 8.236 -6.708 -5.260 1.00 0.00 C ATOM 123 C ASP A 923 7.527 -5.532 -5.935 1.00 0.00 C ATOM 124 O ASP A 923 7.547 -4.413 -5.423 1.00 0.00 O ATOM 125 CB ASP A 923 9.558 -6.946 -5.992 1.00 0.00 C ATOM 126 CG ASP A 923 10.626 -5.874 -5.764 1.00 0.00 C ATOM 127 OD1 ASP A 923 11.402 -6.043 -4.798 1.00 0.00 O ATOM 128 OD2 ASP A 923 10.643 -4.910 -6.559 1.00 0.00 O ATOM 0 H ASP A 923 7.667 -8.578 -6.015 1.00 0.00 H new ATOM 0 HA ASP A 923 8.438 -6.495 -4.210 1.00 0.00 H new ATOM 0 HB2 ASP A 923 9.960 -7.910 -5.680 1.00 0.00 H new ATOM 0 HB3 ASP A 923 9.357 -7.015 -7.061 1.00 0.00 H new ATOM 133 N LYS A 924 6.918 -5.824 -7.075 1.00 0.00 N ATOM 134 CA LYS A 924 6.204 -4.805 -7.825 1.00 0.00 C ATOM 135 C LYS A 924 5.077 -4.237 -6.961 1.00 0.00 C ATOM 136 O LYS A 924 4.849 -3.028 -6.947 1.00 0.00 O ATOM 137 CB LYS A 924 5.728 -5.363 -9.168 1.00 0.00 C ATOM 138 CG LYS A 924 5.058 -4.273 -10.008 1.00 0.00 C ATOM 139 CD LYS A 924 6.085 -3.535 -10.868 1.00 0.00 C ATOM 140 CE LYS A 924 5.414 -2.448 -11.711 1.00 0.00 C ATOM 141 NZ LYS A 924 6.298 -2.035 -12.823 1.00 0.00 N ATOM 0 H LYS A 924 6.904 -6.752 -7.498 1.00 0.00 H new ATOM 0 HA LYS A 924 6.868 -3.976 -8.068 1.00 0.00 H new ATOM 0 HB2 LYS A 924 6.575 -5.779 -9.714 1.00 0.00 H new ATOM 0 HB3 LYS A 924 5.026 -6.180 -8.998 1.00 0.00 H new ATOM 0 HG2 LYS A 924 4.296 -4.719 -10.647 1.00 0.00 H new ATOM 0 HG3 LYS A 924 4.550 -3.565 -9.353 1.00 0.00 H new ATOM 0 HD2 LYS A 924 6.845 -3.087 -10.228 1.00 0.00 H new ATOM 0 HD3 LYS A 924 6.595 -4.244 -11.521 1.00 0.00 H new ATOM 0 HE2 LYS A 924 4.469 -2.819 -12.108 1.00 0.00 H new ATOM 0 HE3 LYS A 924 5.180 -1.587 -11.085 1.00 0.00 H new ATOM 0 HZ1 LYS A 924 5.827 -1.297 -13.385 1.00 0.00 H new ATOM 0 HZ2 LYS A 924 7.189 -1.662 -12.438 1.00 0.00 H new ATOM 0 HZ3 LYS A 924 6.500 -2.856 -13.429 1.00 0.00 H new ATOM 155 N VAL A 925 4.401 -5.136 -6.260 1.00 0.00 N ATOM 156 CA VAL A 925 3.303 -4.740 -5.395 1.00 0.00 C ATOM 157 C VAL A 925 3.863 -4.027 -4.162 1.00 0.00 C ATOM 158 O VAL A 925 3.424 -2.929 -3.822 1.00 0.00 O ATOM 159 CB VAL A 925 2.447 -5.958 -5.044 1.00 0.00 C ATOM 160 CG1 VAL A 925 1.137 -5.534 -4.378 1.00 0.00 C ATOM 161 CG2 VAL A 925 2.181 -6.816 -6.283 1.00 0.00 C ATOM 0 H VAL A 925 4.593 -6.138 -6.274 1.00 0.00 H new ATOM 0 HA VAL A 925 2.647 -4.036 -5.908 1.00 0.00 H new ATOM 0 HB VAL A 925 3.004 -6.565 -4.330 1.00 0.00 H new ATOM 0 HG11 VAL A 925 0.547 -6.419 -4.139 1.00 0.00 H new ATOM 0 HG12 VAL A 925 1.356 -4.985 -3.462 1.00 0.00 H new ATOM 0 HG13 VAL A 925 0.573 -4.895 -5.058 1.00 0.00 H new ATOM 0 HG21 VAL A 925 1.570 -7.675 -6.006 1.00 0.00 H new ATOM 0 HG22 VAL A 925 1.654 -6.222 -7.030 1.00 0.00 H new ATOM 0 HG23 VAL A 925 3.128 -7.162 -6.696 1.00 0.00 H new ATOM 171 N TYR A 926 4.824 -4.681 -3.525 1.00 0.00 N ATOM 172 CA TYR A 926 5.448 -4.123 -2.337 1.00 0.00 C ATOM 173 C TYR A 926 6.224 -2.848 -2.673 1.00 0.00 C ATOM 174 O TYR A 926 6.581 -2.082 -1.780 1.00 0.00 O ATOM 175 CB TYR A 926 6.428 -5.186 -1.838 1.00 0.00 C ATOM 176 CG TYR A 926 5.754 -6.407 -1.208 1.00 0.00 C ATOM 177 CD1 TYR A 926 4.388 -6.569 -1.307 1.00 0.00 C ATOM 178 CD2 TYR A 926 6.514 -7.346 -0.540 1.00 0.00 C ATOM 179 CE1 TYR A 926 3.754 -7.718 -0.714 1.00 0.00 C ATOM 180 CE2 TYR A 926 5.880 -8.495 0.053 1.00 0.00 C ATOM 181 CZ TYR A 926 4.531 -8.624 -0.063 1.00 0.00 C ATOM 182 OH TYR A 926 3.932 -9.709 0.497 1.00 0.00 O ATOM 0 H TYR A 926 5.185 -5.592 -3.809 1.00 0.00 H new ATOM 0 HA TYR A 926 4.695 -3.866 -1.592 1.00 0.00 H new ATOM 0 HB2 TYR A 926 7.047 -5.516 -2.673 1.00 0.00 H new ATOM 0 HB3 TYR A 926 7.096 -4.734 -1.105 1.00 0.00 H new ATOM 0 HD1 TYR A 926 3.794 -5.834 -1.829 1.00 0.00 H new ATOM 0 HD2 TYR A 926 7.584 -7.219 -0.462 1.00 0.00 H new ATOM 0 HE1 TYR A 926 2.685 -7.857 -0.785 1.00 0.00 H new ATOM 0 HE2 TYR A 926 6.463 -9.238 0.578 1.00 0.00 H new ATOM 0 HH TYR A 926 3.540 -10.266 -0.207 1.00 0.00 H new ATOM 192 N GLU A 927 6.462 -2.660 -3.963 1.00 0.00 N ATOM 193 CA GLU A 927 7.189 -1.491 -4.427 1.00 0.00 C ATOM 194 C GLU A 927 6.279 -0.262 -4.418 1.00 0.00 C ATOM 195 O GLU A 927 6.471 0.652 -3.617 1.00 0.00 O ATOM 196 CB GLU A 927 7.776 -1.728 -5.820 1.00 0.00 C ATOM 197 CG GLU A 927 9.180 -2.330 -5.728 1.00 0.00 C ATOM 198 CD GLU A 927 10.240 -1.233 -5.614 1.00 0.00 C ATOM 199 OE1 GLU A 927 10.341 -0.654 -4.511 1.00 0.00 O ATOM 200 OE2 GLU A 927 10.926 -0.999 -6.632 1.00 0.00 O ATOM 0 H GLU A 927 6.164 -3.298 -4.701 1.00 0.00 H new ATOM 0 HA GLU A 927 8.019 -1.309 -3.745 1.00 0.00 H new ATOM 0 HB2 GLU A 927 7.126 -2.397 -6.384 1.00 0.00 H new ATOM 0 HB3 GLU A 927 7.815 -0.786 -6.367 1.00 0.00 H new ATOM 0 HG2 GLU A 927 9.240 -2.990 -4.863 1.00 0.00 H new ATOM 0 HG3 GLU A 927 9.376 -2.940 -6.609 1.00 0.00 H new ATOM 207 N ASN A 928 5.306 -0.278 -5.318 1.00 0.00 N ATOM 208 CA ASN A 928 4.366 0.825 -5.424 1.00 0.00 C ATOM 209 C ASN A 928 3.997 1.311 -4.021 1.00 0.00 C ATOM 210 O ASN A 928 4.132 2.495 -3.715 1.00 0.00 O ATOM 211 CB ASN A 928 3.079 0.385 -6.125 1.00 0.00 C ATOM 212 CG ASN A 928 2.599 1.453 -7.110 1.00 0.00 C ATOM 213 OD1 ASN A 928 2.171 2.533 -6.735 1.00 0.00 O ATOM 214 ND2 ASN A 928 2.693 1.093 -8.386 1.00 0.00 N ATOM 0 H ASN A 928 5.149 -1.038 -5.980 1.00 0.00 H new ATOM 0 HA ASN A 928 4.840 1.618 -6.003 1.00 0.00 H new ATOM 0 HB2 ASN A 928 3.251 -0.552 -6.654 1.00 0.00 H new ATOM 0 HB3 ASN A 928 2.303 0.194 -5.383 1.00 0.00 H new ATOM 0 HD21 ASN A 928 2.398 1.736 -9.120 1.00 0.00 H new ATOM 0 HD22 ASN A 928 3.061 0.174 -8.631 1.00 0.00 H new ATOM 221 N VAL A 929 3.540 0.373 -3.205 1.00 0.00 N ATOM 222 CA VAL A 929 3.151 0.691 -1.841 1.00 0.00 C ATOM 223 C VAL A 929 4.235 1.558 -1.196 1.00 0.00 C ATOM 224 O VAL A 929 3.979 2.700 -0.819 1.00 0.00 O ATOM 225 CB VAL A 929 2.872 -0.596 -1.063 1.00 0.00 C ATOM 226 CG1 VAL A 929 2.606 -0.296 0.414 1.00 0.00 C ATOM 227 CG2 VAL A 929 1.708 -1.370 -1.684 1.00 0.00 C ATOM 0 H VAL A 929 3.430 -0.608 -3.462 1.00 0.00 H new ATOM 0 HA VAL A 929 2.226 1.267 -1.831 1.00 0.00 H new ATOM 0 HB VAL A 929 3.761 -1.224 -1.123 1.00 0.00 H new ATOM 0 HG11 VAL A 929 2.410 -1.228 0.945 1.00 0.00 H new ATOM 0 HG12 VAL A 929 3.478 0.193 0.849 1.00 0.00 H new ATOM 0 HG13 VAL A 929 1.740 0.360 0.502 1.00 0.00 H new ATOM 0 HG21 VAL A 929 1.530 -2.281 -1.112 1.00 0.00 H new ATOM 0 HG22 VAL A 929 0.811 -0.751 -1.669 1.00 0.00 H new ATOM 0 HG23 VAL A 929 1.952 -1.630 -2.714 1.00 0.00 H new ATOM 237 N THR A 930 5.423 0.981 -1.088 1.00 0.00 N ATOM 238 CA THR A 930 6.546 1.685 -0.495 1.00 0.00 C ATOM 239 C THR A 930 6.869 2.947 -1.298 1.00 0.00 C ATOM 240 O THR A 930 6.717 4.061 -0.799 1.00 0.00 O ATOM 241 CB THR A 930 7.720 0.709 -0.400 1.00 0.00 C ATOM 242 OG1 THR A 930 7.710 0.030 -1.652 1.00 0.00 O ATOM 243 CG2 THR A 930 7.478 -0.400 0.627 1.00 0.00 C ATOM 0 H THR A 930 5.632 0.033 -1.402 1.00 0.00 H new ATOM 0 HA THR A 930 6.309 2.030 0.512 1.00 0.00 H new ATOM 0 HB THR A 930 8.626 1.256 -0.138 1.00 0.00 H new ATOM 0 HG1 THR A 930 7.517 -0.920 -1.508 1.00 0.00 H new ATOM 0 HG21 THR A 930 8.341 -1.065 0.655 1.00 0.00 H new ATOM 0 HG22 THR A 930 7.329 0.042 1.612 1.00 0.00 H new ATOM 0 HG23 THR A 930 6.591 -0.968 0.347 1.00 0.00 H new ATOM 251 N GLY A 931 7.309 2.730 -2.529 1.00 0.00 N ATOM 252 CA GLY A 931 7.654 3.835 -3.406 1.00 0.00 C ATOM 253 C GLY A 931 6.740 5.037 -3.160 1.00 0.00 C ATOM 254 O GLY A 931 7.212 6.121 -2.821 1.00 0.00 O ATOM 0 H GLY A 931 7.434 1.805 -2.939 1.00 0.00 H new ATOM 0 HA2 GLY A 931 8.692 4.124 -3.242 1.00 0.00 H new ATOM 0 HA3 GLY A 931 7.572 3.518 -4.446 1.00 0.00 H new ATOM 258 N LEU A 932 5.448 4.804 -3.339 1.00 0.00 N ATOM 259 CA LEU A 932 4.463 5.854 -3.141 1.00 0.00 C ATOM 260 C LEU A 932 4.595 6.408 -1.721 1.00 0.00 C ATOM 261 O LEU A 932 4.620 7.622 -1.524 1.00 0.00 O ATOM 262 CB LEU A 932 3.060 5.343 -3.474 1.00 0.00 C ATOM 263 CG LEU A 932 2.151 5.053 -2.278 1.00 0.00 C ATOM 264 CD1 LEU A 932 1.803 6.341 -1.529 1.00 0.00 C ATOM 265 CD2 LEU A 932 0.899 4.288 -2.714 1.00 0.00 C ATOM 0 H LEU A 932 5.060 3.903 -3.619 1.00 0.00 H new ATOM 0 HA LEU A 932 4.645 6.682 -3.826 1.00 0.00 H new ATOM 0 HB2 LEU A 932 2.568 6.079 -4.109 1.00 0.00 H new ATOM 0 HB3 LEU A 932 3.157 4.430 -4.061 1.00 0.00 H new ATOM 0 HG LEU A 932 2.694 4.413 -1.583 1.00 0.00 H new ATOM 0 HD11 LEU A 932 1.156 6.107 -0.684 1.00 0.00 H new ATOM 0 HD12 LEU A 932 2.718 6.810 -1.167 1.00 0.00 H new ATOM 0 HD13 LEU A 932 1.287 7.025 -2.202 1.00 0.00 H new ATOM 0 HD21 LEU A 932 0.270 4.094 -1.845 1.00 0.00 H new ATOM 0 HD22 LEU A 932 0.343 4.883 -3.439 1.00 0.00 H new ATOM 0 HD23 LEU A 932 1.191 3.341 -3.169 1.00 0.00 H new ATOM 277 N VAL A 933 4.674 5.492 -0.767 1.00 0.00 N ATOM 278 CA VAL A 933 4.802 5.874 0.629 1.00 0.00 C ATOM 279 C VAL A 933 6.079 6.697 0.813 1.00 0.00 C ATOM 280 O VAL A 933 6.018 7.867 1.188 1.00 0.00 O ATOM 281 CB VAL A 933 4.760 4.629 1.518 1.00 0.00 C ATOM 282 CG1 VAL A 933 5.701 4.779 2.715 1.00 0.00 C ATOM 283 CG2 VAL A 933 3.332 4.331 1.977 1.00 0.00 C ATOM 0 H VAL A 933 4.652 4.486 -0.933 1.00 0.00 H new ATOM 0 HA VAL A 933 3.964 6.502 0.932 1.00 0.00 H new ATOM 0 HB VAL A 933 5.104 3.782 0.925 1.00 0.00 H new ATOM 0 HG11 VAL A 933 5.652 3.881 3.331 1.00 0.00 H new ATOM 0 HG12 VAL A 933 6.722 4.921 2.360 1.00 0.00 H new ATOM 0 HG13 VAL A 933 5.400 5.642 3.308 1.00 0.00 H new ATOM 0 HG21 VAL A 933 3.330 3.442 2.607 1.00 0.00 H new ATOM 0 HG22 VAL A 933 2.948 5.179 2.545 1.00 0.00 H new ATOM 0 HG23 VAL A 933 2.698 4.160 1.107 1.00 0.00 H new ATOM 293 N LYS A 934 7.204 6.053 0.541 1.00 0.00 N ATOM 294 CA LYS A 934 8.493 6.712 0.671 1.00 0.00 C ATOM 295 C LYS A 934 8.382 8.148 0.158 1.00 0.00 C ATOM 296 O LYS A 934 9.076 9.040 0.643 1.00 0.00 O ATOM 297 CB LYS A 934 9.585 5.894 -0.021 1.00 0.00 C ATOM 298 CG LYS A 934 9.647 4.473 0.543 1.00 0.00 C ATOM 299 CD LYS A 934 11.050 4.150 1.062 1.00 0.00 C ATOM 300 CE LYS A 934 10.990 3.565 2.474 1.00 0.00 C ATOM 301 NZ LYS A 934 12.292 3.729 3.159 1.00 0.00 N ATOM 0 H LYS A 934 7.250 5.082 0.231 1.00 0.00 H new ATOM 0 HA LYS A 934 8.786 6.770 1.719 1.00 0.00 H new ATOM 0 HB2 LYS A 934 9.391 5.855 -1.093 1.00 0.00 H new ATOM 0 HB3 LYS A 934 10.550 6.384 0.111 1.00 0.00 H new ATOM 0 HG2 LYS A 934 8.923 4.367 1.351 1.00 0.00 H new ATOM 0 HG3 LYS A 934 9.368 3.758 -0.231 1.00 0.00 H new ATOM 0 HD2 LYS A 934 11.536 3.441 0.391 1.00 0.00 H new ATOM 0 HD3 LYS A 934 11.658 5.055 1.065 1.00 0.00 H new ATOM 0 HE2 LYS A 934 10.206 4.061 3.046 1.00 0.00 H new ATOM 0 HE3 LYS A 934 10.729 2.508 2.425 1.00 0.00 H new ATOM 0 HZ1 LYS A 934 12.234 3.327 4.116 1.00 0.00 H new ATOM 0 HZ2 LYS A 934 13.032 3.236 2.620 1.00 0.00 H new ATOM 0 HZ3 LYS A 934 12.526 4.740 3.222 1.00 0.00 H new ATOM 315 N ALA A 935 7.503 8.328 -0.817 1.00 0.00 N ATOM 316 CA ALA A 935 7.292 9.641 -1.402 1.00 0.00 C ATOM 317 C ALA A 935 6.329 10.438 -0.520 1.00 0.00 C ATOM 318 O ALA A 935 6.605 11.585 -0.171 1.00 0.00 O ATOM 319 CB ALA A 935 6.778 9.486 -2.835 1.00 0.00 C ATOM 0 H ALA A 935 6.929 7.586 -1.217 1.00 0.00 H new ATOM 0 HA ALA A 935 8.230 10.195 -1.451 1.00 0.00 H new ATOM 0 HB1 ALA A 935 6.620 10.471 -3.273 1.00 0.00 H new ATOM 0 HB2 ALA A 935 7.511 8.939 -3.427 1.00 0.00 H new ATOM 0 HB3 ALA A 935 5.836 8.937 -2.826 1.00 0.00 H new ATOM 325 N VAL A 936 5.217 9.800 -0.185 1.00 0.00 N ATOM 326 CA VAL A 936 4.211 10.435 0.649 1.00 0.00 C ATOM 327 C VAL A 936 4.903 11.277 1.723 1.00 0.00 C ATOM 328 O VAL A 936 4.444 12.370 2.051 1.00 0.00 O ATOM 329 CB VAL A 936 3.272 9.377 1.233 1.00 0.00 C ATOM 330 CG1 VAL A 936 2.634 9.869 2.534 1.00 0.00 C ATOM 331 CG2 VAL A 936 2.203 8.973 0.216 1.00 0.00 C ATOM 0 H VAL A 936 4.991 8.849 -0.476 1.00 0.00 H new ATOM 0 HA VAL A 936 3.592 11.108 0.056 1.00 0.00 H new ATOM 0 HB VAL A 936 3.865 8.492 1.465 1.00 0.00 H new ATOM 0 HG11 VAL A 936 1.971 9.099 2.928 1.00 0.00 H new ATOM 0 HG12 VAL A 936 3.415 10.084 3.263 1.00 0.00 H new ATOM 0 HG13 VAL A 936 2.061 10.775 2.338 1.00 0.00 H new ATOM 0 HG21 VAL A 936 1.549 8.220 0.656 1.00 0.00 H new ATOM 0 HG22 VAL A 936 1.615 9.848 -0.061 1.00 0.00 H new ATOM 0 HG23 VAL A 936 2.683 8.563 -0.673 1.00 0.00 H new ATOM 341 N ILE A 937 5.997 10.737 2.240 1.00 0.00 N ATOM 342 CA ILE A 937 6.757 11.426 3.269 1.00 0.00 C ATOM 343 C ILE A 937 7.720 12.416 2.610 1.00 0.00 C ATOM 344 O ILE A 937 7.584 13.627 2.781 1.00 0.00 O ATOM 345 CB ILE A 937 7.447 10.418 4.190 1.00 0.00 C ATOM 346 CG1 ILE A 937 6.420 9.553 4.924 1.00 0.00 C ATOM 347 CG2 ILE A 937 8.400 11.123 5.158 1.00 0.00 C ATOM 348 CD1 ILE A 937 6.199 8.226 4.194 1.00 0.00 C ATOM 0 H ILE A 937 6.375 9.830 1.965 1.00 0.00 H new ATOM 0 HA ILE A 937 6.092 12.006 3.909 1.00 0.00 H new ATOM 0 HB ILE A 937 8.049 9.750 3.575 1.00 0.00 H new ATOM 0 HG12 ILE A 937 6.762 9.360 5.941 1.00 0.00 H new ATOM 0 HG13 ILE A 937 5.475 10.091 5.002 1.00 0.00 H new ATOM 0 HG21 ILE A 937 8.877 10.384 5.801 1.00 0.00 H new ATOM 0 HG22 ILE A 937 9.163 11.659 4.592 1.00 0.00 H new ATOM 0 HG23 ILE A 937 7.840 11.829 5.771 1.00 0.00 H new ATOM 0 HD11 ILE A 937 5.465 7.630 4.736 1.00 0.00 H new ATOM 0 HD12 ILE A 937 5.834 8.422 3.186 1.00 0.00 H new ATOM 0 HD13 ILE A 937 7.141 7.680 4.139 1.00 0.00 H new ATOM 360 N GLU A 938 8.671 11.865 1.871 1.00 0.00 N ATOM 361 CA GLU A 938 9.656 12.684 1.185 1.00 0.00 C ATOM 362 C GLU A 938 8.983 13.904 0.552 1.00 0.00 C ATOM 363 O GLU A 938 9.403 15.037 0.781 1.00 0.00 O ATOM 364 CB GLU A 938 10.413 11.868 0.135 1.00 0.00 C ATOM 365 CG GLU A 938 11.882 12.288 0.070 1.00 0.00 C ATOM 366 CD GLU A 938 12.803 11.121 0.433 1.00 0.00 C ATOM 367 OE1 GLU A 938 12.842 10.160 -0.365 1.00 0.00 O ATOM 368 OE2 GLU A 938 13.447 11.217 1.500 1.00 0.00 O ATOM 0 H GLU A 938 8.781 10.860 1.732 1.00 0.00 H new ATOM 0 HA GLU A 938 10.383 13.034 1.918 1.00 0.00 H new ATOM 0 HB2 GLU A 938 10.345 10.807 0.375 1.00 0.00 H new ATOM 0 HB3 GLU A 938 9.948 12.005 -0.841 1.00 0.00 H new ATOM 0 HG2 GLU A 938 12.118 12.644 -0.933 1.00 0.00 H new ATOM 0 HG3 GLU A 938 12.057 13.120 0.753 1.00 0.00 H new ATOM 375 N MET A 939 7.950 13.630 -0.232 1.00 0.00 N ATOM 376 CA MET A 939 7.216 14.691 -0.900 1.00 0.00 C ATOM 377 C MET A 939 6.814 15.786 0.090 1.00 0.00 C ATOM 378 O MET A 939 6.733 16.958 -0.275 1.00 0.00 O ATOM 379 CB MET A 939 5.961 14.109 -1.554 1.00 0.00 C ATOM 380 CG MET A 939 4.962 13.633 -0.498 1.00 0.00 C ATOM 381 SD MET A 939 3.690 14.863 -0.264 1.00 0.00 S ATOM 382 CE MET A 939 3.061 14.980 -1.930 1.00 0.00 C ATOM 0 H MET A 939 7.604 12.689 -0.419 1.00 0.00 H new ATOM 0 HA MET A 939 7.862 15.132 -1.659 1.00 0.00 H new ATOM 0 HB2 MET A 939 5.494 14.863 -2.188 1.00 0.00 H new ATOM 0 HB3 MET A 939 6.237 13.276 -2.200 1.00 0.00 H new ATOM 0 HG2 MET A 939 4.514 12.689 -0.808 1.00 0.00 H new ATOM 0 HG3 MET A 939 5.477 13.447 0.444 1.00 0.00 H new ATOM 0 HE1 MET A 939 3.293 15.963 -2.338 1.00 0.00 H new ATOM 0 HE2 MET A 939 3.524 14.211 -2.549 1.00 0.00 H new ATOM 0 HE3 MET A 939 1.980 14.837 -1.922 1.00 0.00 H new ATOM 392 N SER A 940 6.573 15.366 1.323 1.00 0.00 N ATOM 393 CA SER A 940 6.182 16.298 2.368 1.00 0.00 C ATOM 394 C SER A 940 7.336 17.253 2.676 1.00 0.00 C ATOM 395 O SER A 940 7.118 18.442 2.906 1.00 0.00 O ATOM 396 CB SER A 940 5.755 15.555 3.636 1.00 0.00 C ATOM 397 OG SER A 940 4.810 14.525 3.358 1.00 0.00 O ATOM 0 H SER A 940 6.641 14.393 1.622 1.00 0.00 H new ATOM 0 HA SER A 940 5.328 16.874 2.011 1.00 0.00 H new ATOM 0 HB2 SER A 940 6.633 15.122 4.116 1.00 0.00 H new ATOM 0 HB3 SER A 940 5.322 16.263 4.343 1.00 0.00 H new ATOM 0 HG SER A 940 5.239 13.822 2.828 1.00 0.00 H new ATOM 403 N SER A 941 8.539 16.699 2.669 1.00 0.00 N ATOM 404 CA SER A 941 9.728 17.487 2.945 1.00 0.00 C ATOM 405 C SER A 941 9.959 18.497 1.819 1.00 0.00 C ATOM 406 O SER A 941 10.145 19.686 2.075 1.00 0.00 O ATOM 407 CB SER A 941 10.957 16.591 3.115 1.00 0.00 C ATOM 408 OG SER A 941 12.132 17.345 3.400 1.00 0.00 O ATOM 0 H SER A 941 8.716 15.713 2.476 1.00 0.00 H new ATOM 0 HA SER A 941 9.572 18.024 3.881 1.00 0.00 H new ATOM 0 HB2 SER A 941 10.778 15.880 3.921 1.00 0.00 H new ATOM 0 HB3 SER A 941 11.111 16.010 2.206 1.00 0.00 H new ATOM 0 HG SER A 941 12.894 16.737 3.503 1.00 0.00 H new ATOM 414 N LYS A 942 9.941 17.987 0.597 1.00 0.00 N ATOM 415 CA LYS A 942 10.146 18.829 -0.569 1.00 0.00 C ATOM 416 C LYS A 942 8.823 19.496 -0.950 1.00 0.00 C ATOM 417 O LYS A 942 8.728 20.146 -1.990 1.00 0.00 O ATOM 418 CB LYS A 942 10.779 18.025 -1.706 1.00 0.00 C ATOM 419 CG LYS A 942 9.814 16.959 -2.228 1.00 0.00 C ATOM 420 CD LYS A 942 9.932 16.809 -3.746 1.00 0.00 C ATOM 421 CE LYS A 942 8.946 17.732 -4.466 1.00 0.00 C ATOM 422 NZ LYS A 942 9.670 18.814 -5.171 1.00 0.00 N ATOM 0 H LYS A 942 9.787 17.000 0.389 1.00 0.00 H new ATOM 0 HA LYS A 942 10.853 19.628 -0.343 1.00 0.00 H new ATOM 0 HB2 LYS A 942 11.059 18.696 -2.518 1.00 0.00 H new ATOM 0 HB3 LYS A 942 11.695 17.550 -1.354 1.00 0.00 H new ATOM 0 HG2 LYS A 942 10.026 16.004 -1.747 1.00 0.00 H new ATOM 0 HG3 LYS A 942 8.791 17.228 -1.964 1.00 0.00 H new ATOM 0 HD2 LYS A 942 10.949 17.042 -4.060 1.00 0.00 H new ATOM 0 HD3 LYS A 942 9.740 15.774 -4.029 1.00 0.00 H new ATOM 0 HE2 LYS A 942 8.355 17.157 -5.179 1.00 0.00 H new ATOM 0 HE3 LYS A 942 8.249 18.161 -3.747 1.00 0.00 H new ATOM 0 HZ1 LYS A 942 8.987 19.431 -5.654 1.00 0.00 H new ATOM 0 HZ2 LYS A 942 10.215 19.372 -4.483 1.00 0.00 H new ATOM 0 HZ3 LYS A 942 10.318 18.399 -5.871 1.00 0.00 H new ATOM 436 N ILE A 943 7.834 19.311 -0.088 1.00 0.00 N ATOM 437 CA ILE A 943 6.520 19.887 -0.322 1.00 0.00 C ATOM 438 C ILE A 943 6.556 21.380 0.011 1.00 0.00 C ATOM 439 O ILE A 943 6.313 22.218 -0.856 1.00 0.00 O ATOM 440 CB ILE A 943 5.450 19.111 0.449 1.00 0.00 C ATOM 441 CG1 ILE A 943 4.565 18.304 -0.503 1.00 0.00 C ATOM 442 CG2 ILE A 943 4.630 20.046 1.340 1.00 0.00 C ATOM 443 CD1 ILE A 943 3.335 19.110 -0.924 1.00 0.00 C ATOM 0 H ILE A 943 7.916 18.771 0.773 1.00 0.00 H new ATOM 0 HA ILE A 943 6.248 19.801 -1.374 1.00 0.00 H new ATOM 0 HB ILE A 943 5.951 18.399 1.105 1.00 0.00 H new ATOM 0 HG12 ILE A 943 5.138 18.021 -1.386 1.00 0.00 H new ATOM 0 HG13 ILE A 943 4.250 17.380 -0.017 1.00 0.00 H new ATOM 0 HG21 ILE A 943 3.877 19.469 1.877 1.00 0.00 H new ATOM 0 HG22 ILE A 943 5.289 20.537 2.056 1.00 0.00 H new ATOM 0 HG23 ILE A 943 4.139 20.799 0.723 1.00 0.00 H new ATOM 0 HD11 ILE A 943 2.723 18.513 -1.600 1.00 0.00 H new ATOM 0 HD12 ILE A 943 2.751 19.371 -0.041 1.00 0.00 H new ATOM 0 HD13 ILE A 943 3.653 20.021 -1.431 1.00 0.00 H new ATOM 455 N GLN A 944 6.860 21.667 1.268 1.00 0.00 N ATOM 456 CA GLN A 944 6.930 23.044 1.725 1.00 0.00 C ATOM 457 C GLN A 944 7.490 23.942 0.620 1.00 0.00 C ATOM 458 O GLN A 944 6.875 24.945 0.259 1.00 0.00 O ATOM 459 CB GLN A 944 7.769 23.156 3.000 1.00 0.00 C ATOM 460 CG GLN A 944 6.899 23.553 4.195 1.00 0.00 C ATOM 461 CD GLN A 944 7.664 24.476 5.146 1.00 0.00 C ATOM 462 OE1 GLN A 944 7.407 25.666 5.239 1.00 0.00 O ATOM 463 NE2 GLN A 944 8.615 23.864 5.846 1.00 0.00 N ATOM 0 H GLN A 944 7.061 20.969 1.984 1.00 0.00 H new ATOM 0 HA GLN A 944 5.920 23.380 1.962 1.00 0.00 H new ATOM 0 HB2 GLN A 944 8.259 22.203 3.202 1.00 0.00 H new ATOM 0 HB3 GLN A 944 8.557 23.895 2.857 1.00 0.00 H new ATOM 0 HG2 GLN A 944 5.997 24.054 3.843 1.00 0.00 H new ATOM 0 HG3 GLN A 944 6.579 22.659 4.729 1.00 0.00 H new ATOM 0 HE21 GLN A 944 8.778 22.865 5.720 1.00 0.00 H new ATOM 0 HE22 GLN A 944 9.181 24.394 6.509 1.00 0.00 H new ATOM 472 N PRO A 945 8.681 23.541 0.101 1.00 0.00 N ATOM 473 CA PRO A 945 9.330 24.298 -0.956 1.00 0.00 C ATOM 474 C PRO A 945 8.630 24.077 -2.298 1.00 0.00 C ATOM 475 O PRO A 945 8.251 25.035 -2.970 1.00 0.00 O ATOM 476 CB PRO A 945 10.773 23.820 -0.952 1.00 0.00 C ATOM 477 CG PRO A 945 10.770 22.491 -0.216 1.00 0.00 C ATOM 478 CD PRO A 945 9.438 22.359 0.504 1.00 0.00 C ATOM 0 HA PRO A 945 9.281 25.375 -0.794 1.00 0.00 H new ATOM 0 HB2 PRO A 945 11.148 23.703 -1.969 1.00 0.00 H new ATOM 0 HB3 PRO A 945 11.422 24.541 -0.454 1.00 0.00 H new ATOM 0 HG2 PRO A 945 10.909 21.667 -0.916 1.00 0.00 H new ATOM 0 HG3 PRO A 945 11.594 22.447 0.496 1.00 0.00 H new ATOM 0 HD2 PRO A 945 8.922 21.442 0.218 1.00 0.00 H new ATOM 0 HD3 PRO A 945 9.574 22.325 1.585 1.00 0.00 H new ATOM 486 N ALA A 946 8.479 22.808 -2.649 1.00 0.00 N ATOM 487 CA ALA A 946 7.832 22.449 -3.899 1.00 0.00 C ATOM 488 C ALA A 946 6.791 23.513 -4.253 1.00 0.00 C ATOM 489 O ALA A 946 5.875 23.774 -3.474 1.00 0.00 O ATOM 490 CB ALA A 946 7.219 21.053 -3.774 1.00 0.00 C ATOM 0 H ALA A 946 8.794 22.016 -2.089 1.00 0.00 H new ATOM 0 HA ALA A 946 8.558 22.415 -4.711 1.00 0.00 H new ATOM 0 HB1 ALA A 946 6.733 20.784 -4.712 1.00 0.00 H new ATOM 0 HB2 ALA A 946 8.003 20.330 -3.551 1.00 0.00 H new ATOM 0 HB3 ALA A 946 6.483 21.050 -2.970 1.00 0.00 H new ATOM 496 N PRO A 947 6.970 24.114 -5.460 1.00 0.00 N ATOM 497 CA PRO A 947 6.058 25.143 -5.927 1.00 0.00 C ATOM 498 C PRO A 947 4.733 24.533 -6.389 1.00 0.00 C ATOM 499 O PRO A 947 4.565 23.315 -6.365 1.00 0.00 O ATOM 500 CB PRO A 947 6.805 25.855 -7.042 1.00 0.00 C ATOM 501 CG PRO A 947 7.914 24.909 -7.471 1.00 0.00 C ATOM 502 CD PRO A 947 8.044 23.830 -6.408 1.00 0.00 C ATOM 0 HA PRO A 947 5.779 25.845 -5.142 1.00 0.00 H new ATOM 0 HB2 PRO A 947 6.140 26.081 -7.876 1.00 0.00 H new ATOM 0 HB3 PRO A 947 7.214 26.804 -6.694 1.00 0.00 H new ATOM 0 HG2 PRO A 947 7.684 24.465 -8.439 1.00 0.00 H new ATOM 0 HG3 PRO A 947 8.854 25.449 -7.584 1.00 0.00 H new ATOM 0 HD2 PRO A 947 7.939 22.834 -6.839 1.00 0.00 H new ATOM 0 HD3 PRO A 947 9.020 23.866 -5.924 1.00 0.00 H new ATOM 510 N PRO A 948 3.803 25.431 -6.811 1.00 0.00 N ATOM 511 CA PRO A 948 2.498 24.993 -7.278 1.00 0.00 C ATOM 512 C PRO A 948 2.594 24.383 -8.678 1.00 0.00 C ATOM 513 O PRO A 948 1.647 23.756 -9.151 1.00 0.00 O ATOM 514 CB PRO A 948 1.626 26.237 -7.231 1.00 0.00 C ATOM 515 CG PRO A 948 2.584 27.417 -7.185 1.00 0.00 C ATOM 516 CD PRO A 948 3.967 26.881 -6.853 1.00 0.00 C ATOM 0 HA PRO A 948 2.073 24.202 -6.660 1.00 0.00 H new ATOM 0 HB2 PRO A 948 0.979 26.293 -8.106 1.00 0.00 H new ATOM 0 HB3 PRO A 948 0.977 26.226 -6.355 1.00 0.00 H new ATOM 0 HG2 PRO A 948 2.596 27.937 -8.143 1.00 0.00 H new ATOM 0 HG3 PRO A 948 2.264 28.140 -6.434 1.00 0.00 H new ATOM 0 HD2 PRO A 948 4.697 27.175 -7.607 1.00 0.00 H new ATOM 0 HD3 PRO A 948 4.322 27.267 -5.898 1.00 0.00 H new ATOM 524 N GLU A 949 3.745 24.588 -9.301 1.00 0.00 N ATOM 525 CA GLU A 949 3.976 24.066 -10.637 1.00 0.00 C ATOM 526 C GLU A 949 4.637 22.688 -10.561 1.00 0.00 C ATOM 527 O GLU A 949 4.466 21.863 -11.457 1.00 0.00 O ATOM 528 CB GLU A 949 4.822 25.035 -11.465 1.00 0.00 C ATOM 529 CG GLU A 949 6.240 25.144 -10.902 1.00 0.00 C ATOM 530 CD GLU A 949 7.182 25.803 -11.912 1.00 0.00 C ATOM 531 OE1 GLU A 949 6.867 26.940 -12.324 1.00 0.00 O ATOM 532 OE2 GLU A 949 8.197 25.155 -12.248 1.00 0.00 O ATOM 0 H GLU A 949 4.528 25.109 -8.905 1.00 0.00 H new ATOM 0 HA GLU A 949 3.013 23.959 -11.136 1.00 0.00 H new ATOM 0 HB2 GLU A 949 4.863 24.695 -12.500 1.00 0.00 H new ATOM 0 HB3 GLU A 949 4.353 26.019 -11.471 1.00 0.00 H new ATOM 0 HG2 GLU A 949 6.225 25.725 -9.980 1.00 0.00 H new ATOM 0 HG3 GLU A 949 6.611 24.151 -10.647 1.00 0.00 H new ATOM 539 N GLU A 950 5.378 22.481 -9.482 1.00 0.00 N ATOM 540 CA GLU A 950 6.065 21.217 -9.278 1.00 0.00 C ATOM 541 C GLU A 950 5.284 20.341 -8.297 1.00 0.00 C ATOM 542 O GLU A 950 5.574 19.154 -8.152 1.00 0.00 O ATOM 543 CB GLU A 950 7.497 21.444 -8.789 1.00 0.00 C ATOM 544 CG GLU A 950 8.503 20.708 -9.677 1.00 0.00 C ATOM 545 CD GLU A 950 9.351 21.695 -10.480 1.00 0.00 C ATOM 546 OE1 GLU A 950 9.764 22.710 -9.878 1.00 0.00 O ATOM 547 OE2 GLU A 950 9.567 21.413 -11.679 1.00 0.00 O ATOM 0 H GLU A 950 5.518 23.167 -8.740 1.00 0.00 H new ATOM 0 HA GLU A 950 6.120 20.698 -10.235 1.00 0.00 H new ATOM 0 HB2 GLU A 950 7.720 22.511 -8.788 1.00 0.00 H new ATOM 0 HB3 GLU A 950 7.593 21.097 -7.760 1.00 0.00 H new ATOM 0 HG2 GLU A 950 9.150 20.085 -9.060 1.00 0.00 H new ATOM 0 HG3 GLU A 950 7.973 20.041 -10.357 1.00 0.00 H new ATOM 554 N TYR A 951 4.308 20.959 -7.648 1.00 0.00 N ATOM 555 CA TYR A 951 3.482 20.250 -6.685 1.00 0.00 C ATOM 556 C TYR A 951 2.260 19.629 -7.363 1.00 0.00 C ATOM 557 O TYR A 951 1.888 18.495 -7.063 1.00 0.00 O ATOM 558 CB TYR A 951 3.013 21.301 -5.677 1.00 0.00 C ATOM 559 CG TYR A 951 1.969 20.788 -4.683 1.00 0.00 C ATOM 560 CD1 TYR A 951 2.093 19.524 -4.144 1.00 0.00 C ATOM 561 CD2 TYR A 951 0.904 21.589 -4.326 1.00 0.00 C ATOM 562 CE1 TYR A 951 1.111 19.041 -3.208 1.00 0.00 C ATOM 563 CE2 TYR A 951 -0.078 21.106 -3.391 1.00 0.00 C ATOM 564 CZ TYR A 951 0.074 19.856 -2.878 1.00 0.00 C ATOM 565 OH TYR A 951 -0.854 19.400 -1.994 1.00 0.00 O ATOM 0 H TYR A 951 4.071 21.943 -7.770 1.00 0.00 H new ATOM 0 HA TYR A 951 4.046 19.444 -6.216 1.00 0.00 H new ATOM 0 HB2 TYR A 951 3.877 21.669 -5.123 1.00 0.00 H new ATOM 0 HB3 TYR A 951 2.597 22.150 -6.220 1.00 0.00 H new ATOM 0 HD1 TYR A 951 2.926 18.897 -4.424 1.00 0.00 H new ATOM 0 HD2 TYR A 951 0.807 22.578 -4.748 1.00 0.00 H new ATOM 0 HE1 TYR A 951 1.196 18.054 -2.778 1.00 0.00 H new ATOM 0 HE2 TYR A 951 -0.917 21.723 -3.103 1.00 0.00 H new ATOM 0 HH TYR A 951 -0.993 20.069 -1.291 1.00 0.00 H new ATOM 575 N VAL A 952 1.668 20.399 -8.265 1.00 0.00 N ATOM 576 CA VAL A 952 0.495 19.938 -8.988 1.00 0.00 C ATOM 577 C VAL A 952 0.710 18.489 -9.430 1.00 0.00 C ATOM 578 O VAL A 952 -0.147 17.635 -9.208 1.00 0.00 O ATOM 579 CB VAL A 952 0.195 20.881 -10.155 1.00 0.00 C ATOM 580 CG1 VAL A 952 -0.204 20.096 -11.405 1.00 0.00 C ATOM 581 CG2 VAL A 952 -0.884 21.897 -9.776 1.00 0.00 C ATOM 0 H VAL A 952 1.979 21.339 -8.511 1.00 0.00 H new ATOM 0 HA VAL A 952 -0.382 19.954 -8.341 1.00 0.00 H new ATOM 0 HB VAL A 952 1.107 21.432 -10.383 1.00 0.00 H new ATOM 0 HG11 VAL A 952 -0.412 20.790 -12.219 1.00 0.00 H new ATOM 0 HG12 VAL A 952 0.611 19.432 -11.693 1.00 0.00 H new ATOM 0 HG13 VAL A 952 -1.096 19.506 -11.195 1.00 0.00 H new ATOM 0 HG21 VAL A 952 -1.078 22.555 -10.623 1.00 0.00 H new ATOM 0 HG22 VAL A 952 -1.800 21.371 -9.507 1.00 0.00 H new ATOM 0 HG23 VAL A 952 -0.544 22.490 -8.927 1.00 0.00 H new ATOM 591 N PRO A 953 1.889 18.251 -10.063 1.00 0.00 N ATOM 592 CA PRO A 953 2.227 16.920 -10.539 1.00 0.00 C ATOM 593 C PRO A 953 2.628 16.008 -9.377 1.00 0.00 C ATOM 594 O PRO A 953 2.169 14.870 -9.289 1.00 0.00 O ATOM 595 CB PRO A 953 3.351 17.133 -11.540 1.00 0.00 C ATOM 596 CG PRO A 953 3.914 18.515 -11.247 1.00 0.00 C ATOM 597 CD PRO A 953 2.928 19.238 -10.344 1.00 0.00 C ATOM 0 HA PRO A 953 1.383 16.415 -11.009 1.00 0.00 H new ATOM 0 HB2 PRO A 953 4.120 16.367 -11.433 1.00 0.00 H new ATOM 0 HB3 PRO A 953 2.980 17.071 -12.563 1.00 0.00 H new ATOM 0 HG2 PRO A 953 4.888 18.436 -10.763 1.00 0.00 H new ATOM 0 HG3 PRO A 953 4.062 19.071 -12.173 1.00 0.00 H new ATOM 0 HD2 PRO A 953 3.408 19.579 -9.427 1.00 0.00 H new ATOM 0 HD3 PRO A 953 2.515 20.119 -10.835 1.00 0.00 H new ATOM 605 N MET A 954 3.479 16.542 -8.514 1.00 0.00 N ATOM 606 CA MET A 954 3.946 15.791 -7.361 1.00 0.00 C ATOM 607 C MET A 954 2.849 14.869 -6.826 1.00 0.00 C ATOM 608 O MET A 954 3.010 13.650 -6.810 1.00 0.00 O ATOM 609 CB MET A 954 4.380 16.761 -6.261 1.00 0.00 C ATOM 610 CG MET A 954 4.615 16.024 -4.941 1.00 0.00 C ATOM 611 SD MET A 954 6.035 16.709 -4.104 1.00 0.00 S ATOM 612 CE MET A 954 5.479 18.389 -3.873 1.00 0.00 C ATOM 0 H MET A 954 3.858 17.486 -8.590 1.00 0.00 H new ATOM 0 HA MET A 954 4.792 15.177 -7.670 1.00 0.00 H new ATOM 0 HB2 MET A 954 5.293 17.274 -6.563 1.00 0.00 H new ATOM 0 HB3 MET A 954 3.616 17.526 -6.123 1.00 0.00 H new ATOM 0 HG2 MET A 954 3.733 16.108 -4.306 1.00 0.00 H new ATOM 0 HG3 MET A 954 4.772 14.962 -5.131 1.00 0.00 H new ATOM 0 HE1 MET A 954 6.105 18.880 -3.128 1.00 0.00 H new ATOM 0 HE2 MET A 954 5.548 18.928 -4.818 1.00 0.00 H new ATOM 0 HE3 MET A 954 4.444 18.386 -3.531 1.00 0.00 H new ATOM 622 N VAL A 955 1.757 15.488 -6.399 1.00 0.00 N ATOM 623 CA VAL A 955 0.633 14.738 -5.865 1.00 0.00 C ATOM 624 C VAL A 955 0.038 13.862 -6.969 1.00 0.00 C ATOM 625 O VAL A 955 -0.293 12.701 -6.735 1.00 0.00 O ATOM 626 CB VAL A 955 -0.387 15.695 -5.246 1.00 0.00 C ATOM 627 CG1 VAL A 955 -1.783 15.069 -5.221 1.00 0.00 C ATOM 628 CG2 VAL A 955 0.045 16.125 -3.842 1.00 0.00 C ATOM 0 H VAL A 955 1.627 16.500 -6.412 1.00 0.00 H new ATOM 0 HA VAL A 955 0.962 14.074 -5.066 1.00 0.00 H new ATOM 0 HB VAL A 955 -0.431 16.587 -5.872 1.00 0.00 H new ATOM 0 HG11 VAL A 955 -2.488 15.771 -4.776 1.00 0.00 H new ATOM 0 HG12 VAL A 955 -2.096 14.836 -6.239 1.00 0.00 H new ATOM 0 HG13 VAL A 955 -1.761 14.153 -4.630 1.00 0.00 H new ATOM 0 HG21 VAL A 955 -0.698 16.805 -3.425 1.00 0.00 H new ATOM 0 HG22 VAL A 955 0.132 15.246 -3.203 1.00 0.00 H new ATOM 0 HG23 VAL A 955 1.009 16.630 -3.897 1.00 0.00 H new ATOM 638 N LYS A 956 -0.080 14.453 -8.149 1.00 0.00 N ATOM 639 CA LYS A 956 -0.630 13.741 -9.291 1.00 0.00 C ATOM 640 C LYS A 956 0.106 12.410 -9.459 1.00 0.00 C ATOM 641 O LYS A 956 -0.500 11.405 -9.827 1.00 0.00 O ATOM 642 CB LYS A 956 -0.597 14.624 -10.540 1.00 0.00 C ATOM 643 CG LYS A 956 -1.989 14.746 -11.162 1.00 0.00 C ATOM 644 CD LYS A 956 -2.102 16.015 -12.010 1.00 0.00 C ATOM 645 CE LYS A 956 -1.236 15.913 -13.267 1.00 0.00 C ATOM 646 NZ LYS A 956 -1.666 16.908 -14.275 1.00 0.00 N ATOM 0 H LYS A 956 0.196 15.416 -8.339 1.00 0.00 H new ATOM 0 HA LYS A 956 -1.681 13.506 -9.123 1.00 0.00 H new ATOM 0 HB2 LYS A 956 -0.223 15.614 -10.280 1.00 0.00 H new ATOM 0 HB3 LYS A 956 0.095 14.203 -11.269 1.00 0.00 H new ATOM 0 HG2 LYS A 956 -2.193 13.872 -11.780 1.00 0.00 H new ATOM 0 HG3 LYS A 956 -2.743 14.762 -10.375 1.00 0.00 H new ATOM 0 HD2 LYS A 956 -3.142 16.176 -12.293 1.00 0.00 H new ATOM 0 HD3 LYS A 956 -1.794 16.879 -11.421 1.00 0.00 H new ATOM 0 HE2 LYS A 956 -0.190 16.077 -13.009 1.00 0.00 H new ATOM 0 HE3 LYS A 956 -1.308 14.909 -13.685 1.00 0.00 H new ATOM 0 HZ1 LYS A 956 -1.068 16.825 -15.122 1.00 0.00 H new ATOM 0 HZ2 LYS A 956 -2.658 16.734 -14.534 1.00 0.00 H new ATOM 0 HZ3 LYS A 956 -1.575 17.865 -13.879 1.00 0.00 H new ATOM 660 N GLU A 957 1.401 12.447 -9.181 1.00 0.00 N ATOM 661 CA GLU A 957 2.225 11.257 -9.297 1.00 0.00 C ATOM 662 C GLU A 957 1.772 10.197 -8.291 1.00 0.00 C ATOM 663 O GLU A 957 1.489 9.060 -8.666 1.00 0.00 O ATOM 664 CB GLU A 957 3.705 11.594 -9.108 1.00 0.00 C ATOM 665 CG GLU A 957 4.409 11.747 -10.458 1.00 0.00 C ATOM 666 CD GLU A 957 5.068 13.123 -10.580 1.00 0.00 C ATOM 667 OE1 GLU A 957 4.336 14.073 -10.934 1.00 0.00 O ATOM 668 OE2 GLU A 957 6.287 13.194 -10.317 1.00 0.00 O ATOM 0 H GLU A 957 1.899 13.283 -8.876 1.00 0.00 H new ATOM 0 HA GLU A 957 2.104 10.852 -10.302 1.00 0.00 H new ATOM 0 HB2 GLU A 957 3.801 12.517 -8.537 1.00 0.00 H new ATOM 0 HB3 GLU A 957 4.189 10.808 -8.528 1.00 0.00 H new ATOM 0 HG2 GLU A 957 5.163 10.968 -10.569 1.00 0.00 H new ATOM 0 HG3 GLU A 957 3.689 11.612 -11.265 1.00 0.00 H new ATOM 675 N VAL A 958 1.717 10.607 -7.032 1.00 0.00 N ATOM 676 CA VAL A 958 1.303 9.708 -5.969 1.00 0.00 C ATOM 677 C VAL A 958 -0.016 9.037 -6.359 1.00 0.00 C ATOM 678 O VAL A 958 -0.204 7.844 -6.122 1.00 0.00 O ATOM 679 CB VAL A 958 1.218 10.468 -4.644 1.00 0.00 C ATOM 680 CG1 VAL A 958 0.645 9.579 -3.538 1.00 0.00 C ATOM 681 CG2 VAL A 958 2.584 11.028 -4.244 1.00 0.00 C ATOM 0 H VAL A 958 1.953 11.551 -6.725 1.00 0.00 H new ATOM 0 HA VAL A 958 2.041 8.918 -5.828 1.00 0.00 H new ATOM 0 HB VAL A 958 0.539 11.309 -4.784 1.00 0.00 H new ATOM 0 HG11 VAL A 958 0.595 10.143 -2.607 1.00 0.00 H new ATOM 0 HG12 VAL A 958 -0.356 9.251 -3.817 1.00 0.00 H new ATOM 0 HG13 VAL A 958 1.287 8.709 -3.401 1.00 0.00 H new ATOM 0 HG21 VAL A 958 2.495 11.563 -3.299 1.00 0.00 H new ATOM 0 HG22 VAL A 958 3.294 10.209 -4.132 1.00 0.00 H new ATOM 0 HG23 VAL A 958 2.937 11.711 -5.016 1.00 0.00 H new ATOM 691 N GLY A 959 -0.895 9.831 -6.952 1.00 0.00 N ATOM 692 CA GLY A 959 -2.190 9.329 -7.377 1.00 0.00 C ATOM 693 C GLY A 959 -2.047 8.390 -8.576 1.00 0.00 C ATOM 694 O GLY A 959 -2.755 7.389 -8.673 1.00 0.00 O ATOM 0 H GLY A 959 -0.736 10.819 -7.148 1.00 0.00 H new ATOM 0 HA2 GLY A 959 -2.668 8.801 -6.552 1.00 0.00 H new ATOM 0 HA3 GLY A 959 -2.839 10.164 -7.640 1.00 0.00 H new ATOM 698 N LEU A 960 -1.126 8.746 -9.460 1.00 0.00 N ATOM 699 CA LEU A 960 -0.881 7.947 -10.649 1.00 0.00 C ATOM 700 C LEU A 960 -0.361 6.569 -10.234 1.00 0.00 C ATOM 701 O LEU A 960 -0.765 5.554 -10.798 1.00 0.00 O ATOM 702 CB LEU A 960 0.047 8.691 -11.612 1.00 0.00 C ATOM 703 CG LEU A 960 1.110 7.840 -12.310 1.00 0.00 C ATOM 704 CD1 LEU A 960 0.496 6.564 -12.891 1.00 0.00 C ATOM 705 CD2 LEU A 960 1.852 8.653 -13.372 1.00 0.00 C ATOM 0 H LEU A 960 -0.541 9.577 -9.377 1.00 0.00 H new ATOM 0 HA LEU A 960 -1.809 7.785 -11.198 1.00 0.00 H new ATOM 0 HB2 LEU A 960 -0.564 9.172 -12.376 1.00 0.00 H new ATOM 0 HB3 LEU A 960 0.550 9.485 -11.060 1.00 0.00 H new ATOM 0 HG LEU A 960 1.846 7.534 -11.566 1.00 0.00 H new ATOM 0 HD11 LEU A 960 1.273 5.977 -13.382 1.00 0.00 H new ATOM 0 HD12 LEU A 960 0.050 5.977 -12.088 1.00 0.00 H new ATOM 0 HD13 LEU A 960 -0.272 6.828 -13.617 1.00 0.00 H new ATOM 0 HD21 LEU A 960 2.602 8.025 -13.853 1.00 0.00 H new ATOM 0 HD22 LEU A 960 1.143 9.008 -14.119 1.00 0.00 H new ATOM 0 HD23 LEU A 960 2.341 9.506 -12.901 1.00 0.00 H new ATOM 717 N ALA A 961 0.528 6.579 -9.251 1.00 0.00 N ATOM 718 CA ALA A 961 1.108 5.343 -8.755 1.00 0.00 C ATOM 719 C ALA A 961 -0.013 4.406 -8.300 1.00 0.00 C ATOM 720 O ALA A 961 0.028 3.206 -8.570 1.00 0.00 O ATOM 721 CB ALA A 961 2.096 5.658 -7.630 1.00 0.00 C ATOM 0 H ALA A 961 0.860 7.423 -8.785 1.00 0.00 H new ATOM 0 HA ALA A 961 1.663 4.836 -9.544 1.00 0.00 H new ATOM 0 HB1 ALA A 961 2.531 4.731 -7.258 1.00 0.00 H new ATOM 0 HB2 ALA A 961 2.888 6.303 -8.011 1.00 0.00 H new ATOM 0 HB3 ALA A 961 1.574 6.165 -6.819 1.00 0.00 H new ATOM 727 N LEU A 962 -0.988 4.988 -7.618 1.00 0.00 N ATOM 728 CA LEU A 962 -2.118 4.220 -7.123 1.00 0.00 C ATOM 729 C LEU A 962 -2.738 3.431 -8.279 1.00 0.00 C ATOM 730 O LEU A 962 -2.894 2.214 -8.191 1.00 0.00 O ATOM 731 CB LEU A 962 -3.110 5.132 -6.399 1.00 0.00 C ATOM 732 CG LEU A 962 -3.146 5.008 -4.875 1.00 0.00 C ATOM 733 CD1 LEU A 962 -3.267 3.544 -4.447 1.00 0.00 C ATOM 734 CD2 LEU A 962 -1.934 5.692 -4.240 1.00 0.00 C ATOM 0 H LEU A 962 -1.019 5.983 -7.396 1.00 0.00 H new ATOM 0 HA LEU A 962 -1.789 3.493 -6.380 1.00 0.00 H new ATOM 0 HB2 LEU A 962 -2.876 6.166 -6.654 1.00 0.00 H new ATOM 0 HB3 LEU A 962 -4.109 4.927 -6.784 1.00 0.00 H new ATOM 0 HG LEU A 962 -4.034 5.525 -4.511 1.00 0.00 H new ATOM 0 HD11 LEU A 962 -3.290 3.484 -3.359 1.00 0.00 H new ATOM 0 HD12 LEU A 962 -4.185 3.121 -4.854 1.00 0.00 H new ATOM 0 HD13 LEU A 962 -2.411 2.983 -4.823 1.00 0.00 H new ATOM 0 HD21 LEU A 962 -1.985 5.589 -3.156 1.00 0.00 H new ATOM 0 HD22 LEU A 962 -1.020 5.226 -4.607 1.00 0.00 H new ATOM 0 HD23 LEU A 962 -1.933 6.749 -4.504 1.00 0.00 H new ATOM 746 N ARG A 963 -3.075 4.157 -9.335 1.00 0.00 N ATOM 747 CA ARG A 963 -3.674 3.541 -10.506 1.00 0.00 C ATOM 748 C ARG A 963 -2.977 2.217 -10.824 1.00 0.00 C ATOM 749 O ARG A 963 -3.613 1.164 -10.837 1.00 0.00 O ATOM 750 CB ARG A 963 -3.580 4.464 -11.723 1.00 0.00 C ATOM 751 CG ARG A 963 -4.855 4.391 -12.566 1.00 0.00 C ATOM 752 CD ARG A 963 -5.546 5.754 -12.635 1.00 0.00 C ATOM 753 NE ARG A 963 -5.330 6.364 -13.966 1.00 0.00 N ATOM 754 CZ ARG A 963 -5.801 7.566 -14.326 1.00 0.00 C ATOM 755 NH1 ARG A 963 -6.517 8.293 -13.458 1.00 0.00 N ATOM 756 NH2 ARG A 963 -5.556 8.040 -15.555 1.00 0.00 N ATOM 0 H ARG A 963 -2.944 5.166 -9.404 1.00 0.00 H new ATOM 0 HA ARG A 963 -4.725 3.358 -10.283 1.00 0.00 H new ATOM 0 HB2 ARG A 963 -3.416 5.490 -11.394 1.00 0.00 H new ATOM 0 HB3 ARG A 963 -2.721 4.183 -12.332 1.00 0.00 H new ATOM 0 HG2 ARG A 963 -4.611 4.052 -13.573 1.00 0.00 H new ATOM 0 HG3 ARG A 963 -5.536 3.655 -12.138 1.00 0.00 H new ATOM 0 HD2 ARG A 963 -6.614 5.640 -12.447 1.00 0.00 H new ATOM 0 HD3 ARG A 963 -5.154 6.410 -11.857 1.00 0.00 H new ATOM 0 HE ARG A 963 -4.789 5.837 -14.652 1.00 0.00 H new ATOM 0 HH11 ARG A 963 -6.704 7.932 -12.523 1.00 0.00 H new ATOM 0 HH12 ARG A 963 -6.875 9.208 -13.733 1.00 0.00 H new ATOM 0 HH21 ARG A 963 -5.011 7.486 -16.216 1.00 0.00 H new ATOM 0 HH22 ARG A 963 -5.914 8.955 -15.830 1.00 0.00 H new ATOM 770 N THR A 964 -1.680 2.312 -11.074 1.00 0.00 N ATOM 771 CA THR A 964 -0.890 1.135 -11.391 1.00 0.00 C ATOM 772 C THR A 964 -0.911 0.148 -10.222 1.00 0.00 C ATOM 773 O THR A 964 -0.976 -1.063 -10.429 1.00 0.00 O ATOM 774 CB THR A 964 0.519 1.598 -11.769 1.00 0.00 C ATOM 775 OG1 THR A 964 0.384 2.061 -13.110 1.00 0.00 O ATOM 776 CG2 THR A 964 1.509 0.437 -11.873 1.00 0.00 C ATOM 0 H THR A 964 -1.156 3.187 -11.063 1.00 0.00 H new ATOM 0 HA THR A 964 -1.309 0.595 -12.240 1.00 0.00 H new ATOM 0 HB THR A 964 0.876 2.314 -11.029 1.00 0.00 H new ATOM 0 HG1 THR A 964 1.251 2.382 -13.434 1.00 0.00 H new ATOM 0 HG21 THR A 964 2.493 0.821 -12.144 1.00 0.00 H new ATOM 0 HG22 THR A 964 1.571 -0.076 -10.913 1.00 0.00 H new ATOM 0 HG23 THR A 964 1.170 -0.263 -12.637 1.00 0.00 H new ATOM 784 N LEU A 965 -0.855 0.702 -9.020 1.00 0.00 N ATOM 785 CA LEU A 965 -0.868 -0.115 -7.818 1.00 0.00 C ATOM 786 C LEU A 965 -2.086 -1.040 -7.848 1.00 0.00 C ATOM 787 O LEU A 965 -1.964 -2.242 -7.619 1.00 0.00 O ATOM 788 CB LEU A 965 -0.794 0.767 -6.570 1.00 0.00 C ATOM 789 CG LEU A 965 -0.509 0.042 -5.253 1.00 0.00 C ATOM 790 CD1 LEU A 965 -1.787 -0.120 -4.429 1.00 0.00 C ATOM 791 CD2 LEU A 965 0.186 -1.298 -5.504 1.00 0.00 C ATOM 0 H LEU A 965 -0.801 1.707 -8.852 1.00 0.00 H new ATOM 0 HA LEU A 965 0.015 -0.753 -7.781 1.00 0.00 H new ATOM 0 HB2 LEU A 965 -0.018 1.517 -6.725 1.00 0.00 H new ATOM 0 HB3 LEU A 965 -1.739 1.302 -6.471 1.00 0.00 H new ATOM 0 HG LEU A 965 0.176 0.655 -4.667 1.00 0.00 H new ATOM 0 HD11 LEU A 965 -1.557 -0.638 -3.498 1.00 0.00 H new ATOM 0 HD12 LEU A 965 -2.202 0.863 -4.204 1.00 0.00 H new ATOM 0 HD13 LEU A 965 -2.515 -0.700 -4.997 1.00 0.00 H new ATOM 0 HD21 LEU A 965 0.377 -1.793 -4.552 1.00 0.00 H new ATOM 0 HD22 LEU A 965 -0.454 -1.930 -6.119 1.00 0.00 H new ATOM 0 HD23 LEU A 965 1.131 -1.127 -6.020 1.00 0.00 H new ATOM 803 N LEU A 966 -3.235 -0.443 -8.131 1.00 0.00 N ATOM 804 CA LEU A 966 -4.475 -1.197 -8.193 1.00 0.00 C ATOM 805 C LEU A 966 -4.269 -2.438 -9.064 1.00 0.00 C ATOM 806 O LEU A 966 -4.504 -3.560 -8.618 1.00 0.00 O ATOM 807 CB LEU A 966 -5.624 -0.302 -8.661 1.00 0.00 C ATOM 808 CG LEU A 966 -6.258 0.590 -7.591 1.00 0.00 C ATOM 809 CD1 LEU A 966 -5.296 1.700 -7.164 1.00 0.00 C ATOM 810 CD2 LEU A 966 -7.601 1.146 -8.067 1.00 0.00 C ATOM 0 H LEU A 966 -3.333 0.555 -8.320 1.00 0.00 H new ATOM 0 HA LEU A 966 -4.758 -1.547 -7.200 1.00 0.00 H new ATOM 0 HB2 LEU A 966 -5.257 0.335 -9.466 1.00 0.00 H new ATOM 0 HB3 LEU A 966 -6.403 -0.936 -9.085 1.00 0.00 H new ATOM 0 HG LEU A 966 -6.457 -0.020 -6.710 1.00 0.00 H new ATOM 0 HD11 LEU A 966 -5.770 2.320 -6.403 1.00 0.00 H new ATOM 0 HD12 LEU A 966 -4.387 1.257 -6.757 1.00 0.00 H new ATOM 0 HD13 LEU A 966 -5.044 2.315 -8.028 1.00 0.00 H new ATOM 0 HD21 LEU A 966 -8.030 1.776 -7.288 1.00 0.00 H new ATOM 0 HD22 LEU A 966 -7.450 1.737 -8.970 1.00 0.00 H new ATOM 0 HD23 LEU A 966 -8.281 0.321 -8.282 1.00 0.00 H new ATOM 822 N ALA A 967 -3.831 -2.195 -10.291 1.00 0.00 N ATOM 823 CA ALA A 967 -3.590 -3.279 -11.228 1.00 0.00 C ATOM 824 C ALA A 967 -2.604 -4.272 -10.610 1.00 0.00 C ATOM 825 O ALA A 967 -2.807 -5.483 -10.686 1.00 0.00 O ATOM 826 CB ALA A 967 -3.087 -2.706 -12.554 1.00 0.00 C ATOM 0 H ALA A 967 -3.637 -1.263 -10.658 1.00 0.00 H new ATOM 0 HA ALA A 967 -4.514 -3.819 -11.436 1.00 0.00 H new ATOM 0 HB1 ALA A 967 -2.906 -3.519 -13.257 1.00 0.00 H new ATOM 0 HB2 ALA A 967 -3.837 -2.030 -12.966 1.00 0.00 H new ATOM 0 HB3 ALA A 967 -2.159 -2.159 -12.386 1.00 0.00 H new ATOM 832 N THR A 968 -1.557 -3.723 -10.012 1.00 0.00 N ATOM 833 CA THR A 968 -0.539 -4.546 -9.381 1.00 0.00 C ATOM 834 C THR A 968 -1.167 -5.454 -8.322 1.00 0.00 C ATOM 835 O THR A 968 -0.811 -6.626 -8.214 1.00 0.00 O ATOM 836 CB THR A 968 0.540 -3.617 -8.822 1.00 0.00 C ATOM 837 OG1 THR A 968 1.173 -3.082 -9.982 1.00 0.00 O ATOM 838 CG2 THR A 968 1.657 -4.380 -8.106 1.00 0.00 C ATOM 0 H THR A 968 -1.392 -2.718 -9.951 1.00 0.00 H new ATOM 0 HA THR A 968 -0.070 -5.216 -10.101 1.00 0.00 H new ATOM 0 HB THR A 968 0.085 -2.907 -8.131 1.00 0.00 H new ATOM 0 HG1 THR A 968 0.628 -2.353 -10.346 1.00 0.00 H new ATOM 0 HG21 THR A 968 2.396 -3.673 -7.729 1.00 0.00 H new ATOM 0 HG22 THR A 968 1.236 -4.944 -7.274 1.00 0.00 H new ATOM 0 HG23 THR A 968 2.135 -5.066 -8.805 1.00 0.00 H new ATOM 846 N VAL A 969 -2.092 -4.878 -7.568 1.00 0.00 N ATOM 847 CA VAL A 969 -2.773 -5.621 -6.522 1.00 0.00 C ATOM 848 C VAL A 969 -3.455 -6.846 -7.133 1.00 0.00 C ATOM 849 O VAL A 969 -3.338 -7.952 -6.609 1.00 0.00 O ATOM 850 CB VAL A 969 -3.746 -4.703 -5.778 1.00 0.00 C ATOM 851 CG1 VAL A 969 -4.336 -5.407 -4.554 1.00 0.00 C ATOM 852 CG2 VAL A 969 -3.067 -3.391 -5.381 1.00 0.00 C ATOM 0 H VAL A 969 -2.386 -3.906 -7.661 1.00 0.00 H new ATOM 0 HA VAL A 969 -2.058 -5.983 -5.783 1.00 0.00 H new ATOM 0 HB VAL A 969 -4.566 -4.464 -6.455 1.00 0.00 H new ATOM 0 HG11 VAL A 969 -5.024 -4.733 -4.043 1.00 0.00 H new ATOM 0 HG12 VAL A 969 -4.873 -6.301 -4.872 1.00 0.00 H new ATOM 0 HG13 VAL A 969 -3.532 -5.689 -3.874 1.00 0.00 H new ATOM 0 HG21 VAL A 969 -3.780 -2.757 -4.854 1.00 0.00 H new ATOM 0 HG22 VAL A 969 -2.219 -3.603 -4.730 1.00 0.00 H new ATOM 0 HG23 VAL A 969 -2.717 -2.877 -6.276 1.00 0.00 H new ATOM 862 N ASP A 970 -4.153 -6.607 -8.234 1.00 0.00 N ATOM 863 CA ASP A 970 -4.854 -7.677 -8.922 1.00 0.00 C ATOM 864 C ASP A 970 -3.911 -8.869 -9.098 1.00 0.00 C ATOM 865 O ASP A 970 -4.315 -10.017 -8.920 1.00 0.00 O ATOM 866 CB ASP A 970 -5.315 -7.230 -10.311 1.00 0.00 C ATOM 867 CG ASP A 970 -6.142 -8.261 -11.081 1.00 0.00 C ATOM 868 OD1 ASP A 970 -7.340 -8.390 -10.748 1.00 0.00 O ATOM 869 OD2 ASP A 970 -5.558 -8.896 -11.985 1.00 0.00 O ATOM 0 H ASP A 970 -4.248 -5.688 -8.666 1.00 0.00 H new ATOM 0 HA ASP A 970 -5.723 -7.949 -8.324 1.00 0.00 H new ATOM 0 HB2 ASP A 970 -5.904 -6.319 -10.206 1.00 0.00 H new ATOM 0 HB3 ASP A 970 -4.437 -6.975 -10.904 1.00 0.00 H new ATOM 874 N GLU A 971 -2.672 -8.555 -9.446 1.00 0.00 N ATOM 875 CA GLU A 971 -1.667 -9.586 -9.647 1.00 0.00 C ATOM 876 C GLU A 971 -1.205 -10.147 -8.301 1.00 0.00 C ATOM 877 O GLU A 971 -0.720 -11.275 -8.229 1.00 0.00 O ATOM 878 CB GLU A 971 -0.483 -9.047 -10.453 1.00 0.00 C ATOM 879 CG GLU A 971 0.310 -10.189 -11.091 1.00 0.00 C ATOM 880 CD GLU A 971 1.138 -9.687 -12.276 1.00 0.00 C ATOM 881 OE1 GLU A 971 2.248 -9.175 -12.016 1.00 0.00 O ATOM 882 OE2 GLU A 971 0.641 -9.826 -13.415 1.00 0.00 O ATOM 0 H GLU A 971 -2.341 -7.602 -9.594 1.00 0.00 H new ATOM 0 HA GLU A 971 -2.116 -10.397 -10.221 1.00 0.00 H new ATOM 0 HB2 GLU A 971 -0.844 -8.372 -11.229 1.00 0.00 H new ATOM 0 HB3 GLU A 971 0.170 -8.465 -9.802 1.00 0.00 H new ATOM 0 HG2 GLU A 971 0.968 -10.639 -10.348 1.00 0.00 H new ATOM 0 HG3 GLU A 971 -0.374 -10.969 -11.425 1.00 0.00 H new ATOM 889 N SER A 972 -1.370 -9.333 -7.269 1.00 0.00 N ATOM 890 CA SER A 972 -0.976 -9.734 -5.929 1.00 0.00 C ATOM 891 C SER A 972 -2.092 -10.554 -5.278 1.00 0.00 C ATOM 892 O SER A 972 -1.826 -11.423 -4.450 1.00 0.00 O ATOM 893 CB SER A 972 -0.639 -8.517 -5.066 1.00 0.00 C ATOM 894 OG SER A 972 0.663 -8.611 -4.495 1.00 0.00 O ATOM 0 H SER A 972 -1.771 -8.397 -7.334 1.00 0.00 H new ATOM 0 HA SER A 972 -0.080 -10.350 -6.007 1.00 0.00 H new ATOM 0 HB2 SER A 972 -0.705 -7.613 -5.672 1.00 0.00 H new ATOM 0 HB3 SER A 972 -1.378 -8.421 -4.270 1.00 0.00 H new ATOM 0 HG SER A 972 0.612 -8.432 -3.533 1.00 0.00 H new ATOM 900 N LEU A 973 -3.318 -10.247 -5.677 1.00 0.00 N ATOM 901 CA LEU A 973 -4.475 -10.944 -5.143 1.00 0.00 C ATOM 902 C LEU A 973 -4.145 -12.430 -4.992 1.00 0.00 C ATOM 903 O LEU A 973 -4.322 -13.003 -3.918 1.00 0.00 O ATOM 904 CB LEU A 973 -5.709 -10.672 -6.005 1.00 0.00 C ATOM 905 CG LEU A 973 -6.944 -10.154 -5.264 1.00 0.00 C ATOM 906 CD1 LEU A 973 -8.230 -10.642 -5.935 1.00 0.00 C ATOM 907 CD2 LEU A 973 -6.892 -10.531 -3.782 1.00 0.00 C ATOM 0 H LEU A 973 -3.535 -9.525 -6.364 1.00 0.00 H new ATOM 0 HA LEU A 973 -4.720 -10.569 -4.149 1.00 0.00 H new ATOM 0 HB2 LEU A 973 -5.439 -9.946 -6.772 1.00 0.00 H new ATOM 0 HB3 LEU A 973 -5.979 -11.594 -6.520 1.00 0.00 H new ATOM 0 HG LEU A 973 -6.945 -9.065 -5.319 1.00 0.00 H new ATOM 0 HD11 LEU A 973 -9.093 -10.260 -5.389 1.00 0.00 H new ATOM 0 HD12 LEU A 973 -8.263 -10.282 -6.963 1.00 0.00 H new ATOM 0 HD13 LEU A 973 -8.252 -11.732 -5.931 1.00 0.00 H new ATOM 0 HD21 LEU A 973 -7.781 -10.151 -3.279 1.00 0.00 H new ATOM 0 HD22 LEU A 973 -6.855 -11.616 -3.684 1.00 0.00 H new ATOM 0 HD23 LEU A 973 -6.003 -10.095 -3.327 1.00 0.00 H new ATOM 919 N PRO A 974 -3.660 -13.028 -6.113 1.00 0.00 N ATOM 920 CA PRO A 974 -3.303 -14.436 -6.116 1.00 0.00 C ATOM 921 C PRO A 974 -1.984 -14.670 -5.378 1.00 0.00 C ATOM 922 O PRO A 974 -1.806 -15.698 -4.726 1.00 0.00 O ATOM 923 CB PRO A 974 -3.239 -14.823 -7.585 1.00 0.00 C ATOM 924 CG PRO A 974 -3.104 -13.518 -8.353 1.00 0.00 C ATOM 925 CD PRO A 974 -3.437 -12.380 -7.403 1.00 0.00 C ATOM 0 HA PRO A 974 -4.028 -15.054 -5.586 1.00 0.00 H new ATOM 0 HB2 PRO A 974 -2.391 -15.480 -7.779 1.00 0.00 H new ATOM 0 HB3 PRO A 974 -4.137 -15.363 -7.886 1.00 0.00 H new ATOM 0 HG2 PRO A 974 -2.092 -13.407 -8.741 1.00 0.00 H new ATOM 0 HG3 PRO A 974 -3.777 -13.509 -9.210 1.00 0.00 H new ATOM 0 HD2 PRO A 974 -2.622 -11.658 -7.348 1.00 0.00 H new ATOM 0 HD3 PRO A 974 -4.323 -11.836 -7.731 1.00 0.00 H new ATOM 933 N VAL A 975 -1.092 -13.698 -5.505 1.00 0.00 N ATOM 934 CA VAL A 975 0.207 -13.785 -4.859 1.00 0.00 C ATOM 935 C VAL A 975 0.018 -14.205 -3.400 1.00 0.00 C ATOM 936 O VAL A 975 0.908 -14.810 -2.804 1.00 0.00 O ATOM 937 CB VAL A 975 0.955 -12.459 -5.007 1.00 0.00 C ATOM 938 CG1 VAL A 975 2.133 -12.382 -4.033 1.00 0.00 C ATOM 939 CG2 VAL A 975 1.421 -12.250 -6.449 1.00 0.00 C ATOM 0 H VAL A 975 -1.243 -12.846 -6.046 1.00 0.00 H new ATOM 0 HA VAL A 975 0.823 -14.545 -5.340 1.00 0.00 H new ATOM 0 HB VAL A 975 0.263 -11.655 -4.759 1.00 0.00 H new ATOM 0 HG11 VAL A 975 2.648 -11.429 -4.159 1.00 0.00 H new ATOM 0 HG12 VAL A 975 1.765 -12.463 -3.010 1.00 0.00 H new ATOM 0 HG13 VAL A 975 2.826 -13.198 -4.235 1.00 0.00 H new ATOM 0 HG21 VAL A 975 1.950 -11.300 -6.526 1.00 0.00 H new ATOM 0 HG22 VAL A 975 2.089 -13.062 -6.737 1.00 0.00 H new ATOM 0 HG23 VAL A 975 0.556 -12.239 -7.113 1.00 0.00 H new ATOM 949 N LEU A 976 -1.147 -13.868 -2.866 1.00 0.00 N ATOM 950 CA LEU A 976 -1.464 -14.203 -1.488 1.00 0.00 C ATOM 951 C LEU A 976 -2.522 -15.308 -1.467 1.00 0.00 C ATOM 952 O LEU A 976 -3.255 -15.489 -2.437 1.00 0.00 O ATOM 953 CB LEU A 976 -1.870 -12.949 -0.712 1.00 0.00 C ATOM 954 CG LEU A 976 -0.862 -11.797 -0.724 1.00 0.00 C ATOM 955 CD1 LEU A 976 0.537 -12.288 -0.349 1.00 0.00 C ATOM 956 CD2 LEU A 976 -0.873 -11.074 -2.073 1.00 0.00 C ATOM 0 H LEU A 976 -1.883 -13.366 -3.363 1.00 0.00 H new ATOM 0 HA LEU A 976 -0.583 -14.594 -0.979 1.00 0.00 H new ATOM 0 HB2 LEU A 976 -2.814 -12.584 -1.118 1.00 0.00 H new ATOM 0 HB3 LEU A 976 -2.057 -13.231 0.324 1.00 0.00 H new ATOM 0 HG LEU A 976 -1.162 -11.073 0.033 1.00 0.00 H new ATOM 0 HD11 LEU A 976 1.233 -11.450 -0.365 1.00 0.00 H new ATOM 0 HD12 LEU A 976 0.515 -12.722 0.651 1.00 0.00 H new ATOM 0 HD13 LEU A 976 0.862 -13.043 -1.065 1.00 0.00 H new ATOM 0 HD21 LEU A 976 -0.148 -10.260 -2.055 1.00 0.00 H new ATOM 0 HD22 LEU A 976 -0.611 -11.776 -2.864 1.00 0.00 H new ATOM 0 HD23 LEU A 976 -1.868 -10.670 -2.261 1.00 0.00 H new ATOM 968 N PRO A 977 -2.568 -16.037 -0.320 1.00 0.00 N ATOM 969 CA PRO A 977 -3.524 -17.120 -0.159 1.00 0.00 C ATOM 970 C PRO A 977 -4.932 -16.575 0.089 1.00 0.00 C ATOM 971 O PRO A 977 -5.095 -15.512 0.686 1.00 0.00 O ATOM 972 CB PRO A 977 -2.993 -17.944 1.002 1.00 0.00 C ATOM 973 CG PRO A 977 -2.021 -17.042 1.744 1.00 0.00 C ATOM 974 CD PRO A 977 -1.715 -15.851 0.850 1.00 0.00 C ATOM 0 HA PRO A 977 -3.619 -17.734 -1.055 1.00 0.00 H new ATOM 0 HB2 PRO A 977 -3.804 -18.266 1.656 1.00 0.00 H new ATOM 0 HB3 PRO A 977 -2.495 -18.845 0.645 1.00 0.00 H new ATOM 0 HG2 PRO A 977 -2.453 -16.710 2.688 1.00 0.00 H new ATOM 0 HG3 PRO A 977 -1.106 -17.583 1.985 1.00 0.00 H new ATOM 0 HD2 PRO A 977 -1.935 -14.910 1.355 1.00 0.00 H new ATOM 0 HD3 PRO A 977 -0.661 -15.825 0.572 1.00 0.00 H new ATOM 982 N ALA A 978 -5.915 -17.329 -0.382 1.00 0.00 N ATOM 983 CA ALA A 978 -7.304 -16.936 -0.218 1.00 0.00 C ATOM 984 C ALA A 978 -7.598 -16.724 1.268 1.00 0.00 C ATOM 985 O ALA A 978 -7.485 -17.653 2.066 1.00 0.00 O ATOM 986 CB ALA A 978 -8.212 -17.995 -0.847 1.00 0.00 C ATOM 0 H ALA A 978 -5.777 -18.210 -0.877 1.00 0.00 H new ATOM 0 HA ALA A 978 -7.499 -15.994 -0.730 1.00 0.00 H new ATOM 0 HB1 ALA A 978 -9.254 -17.700 -0.724 1.00 0.00 H new ATOM 0 HB2 ALA A 978 -7.984 -18.086 -1.909 1.00 0.00 H new ATOM 0 HB3 ALA A 978 -8.046 -18.954 -0.357 1.00 0.00 H new ATOM 992 N SER A 979 -7.970 -15.495 1.595 1.00 0.00 N ATOM 993 CA SER A 979 -8.282 -15.149 2.972 1.00 0.00 C ATOM 994 C SER A 979 -8.116 -13.643 3.183 1.00 0.00 C ATOM 995 O SER A 979 -8.724 -13.068 4.086 1.00 0.00 O ATOM 996 CB SER A 979 -7.393 -15.922 3.949 1.00 0.00 C ATOM 997 OG SER A 979 -7.163 -15.194 5.152 1.00 0.00 O ATOM 0 H SER A 979 -8.062 -14.727 0.931 1.00 0.00 H new ATOM 0 HA SER A 979 -9.318 -15.426 3.168 1.00 0.00 H new ATOM 0 HB2 SER A 979 -7.861 -16.877 4.187 1.00 0.00 H new ATOM 0 HB3 SER A 979 -6.439 -16.145 3.472 1.00 0.00 H new ATOM 0 HG SER A 979 -7.197 -15.806 5.916 1.00 0.00 H new ATOM 1003 N THR A 980 -7.292 -13.045 2.335 1.00 0.00 N ATOM 1004 CA THR A 980 -7.040 -11.617 2.417 1.00 0.00 C ATOM 1005 C THR A 980 -7.540 -10.913 1.155 1.00 0.00 C ATOM 1006 O THR A 980 -6.909 -9.975 0.670 1.00 0.00 O ATOM 1007 CB THR A 980 -5.545 -11.415 2.673 1.00 0.00 C ATOM 1008 OG1 THR A 980 -5.383 -9.999 2.690 1.00 0.00 O ATOM 1009 CG2 THR A 980 -4.682 -11.874 1.496 1.00 0.00 C ATOM 0 H THR A 980 -6.790 -13.524 1.587 1.00 0.00 H new ATOM 0 HA THR A 980 -7.591 -11.166 3.242 1.00 0.00 H new ATOM 0 HB THR A 980 -5.254 -11.960 3.571 1.00 0.00 H new ATOM 0 HG1 THR A 980 -6.048 -9.601 3.290 1.00 0.00 H new ATOM 0 HG21 THR A 980 -3.630 -11.709 1.730 1.00 0.00 H new ATOM 0 HG22 THR A 980 -4.851 -12.935 1.313 1.00 0.00 H new ATOM 0 HG23 THR A 980 -4.949 -11.306 0.605 1.00 0.00 H new ATOM 1017 N HIS A 981 -8.671 -11.393 0.657 1.00 0.00 N ATOM 1018 CA HIS A 981 -9.263 -10.822 -0.540 1.00 0.00 C ATOM 1019 C HIS A 981 -10.072 -9.577 -0.169 1.00 0.00 C ATOM 1020 O HIS A 981 -9.614 -8.453 -0.367 1.00 0.00 O ATOM 1021 CB HIS A 981 -10.094 -11.867 -1.287 1.00 0.00 C ATOM 1022 CG HIS A 981 -10.171 -13.204 -0.589 1.00 0.00 C ATOM 1023 ND1 HIS A 981 -10.774 -13.371 0.645 1.00 0.00 N ATOM 1024 CD2 HIS A 981 -9.715 -14.433 -0.965 1.00 0.00 C ATOM 1025 CE1 HIS A 981 -10.679 -14.648 0.987 1.00 0.00 C ATOM 1026 NE2 HIS A 981 -10.022 -15.304 -0.012 1.00 0.00 N ATOM 0 H HIS A 981 -9.192 -12.171 1.061 1.00 0.00 H new ATOM 0 HA HIS A 981 -8.475 -10.510 -1.226 1.00 0.00 H new ATOM 0 HB2 HIS A 981 -11.104 -11.482 -1.425 1.00 0.00 H new ATOM 0 HB3 HIS A 981 -9.670 -12.011 -2.281 1.00 0.00 H new ATOM 0 HD1 HIS A 981 -11.216 -12.636 1.197 1.00 0.00 H new ATOM 0 HD2 HIS A 981 -9.193 -14.659 -1.883 1.00 0.00 H new ATOM 0 HE1 HIS A 981 -11.056 -15.091 1.897 1.00 0.00 H new ATOM 1034 N ARG A 982 -11.260 -9.820 0.364 1.00 0.00 N ATOM 1035 CA ARG A 982 -12.137 -8.733 0.765 1.00 0.00 C ATOM 1036 C ARG A 982 -11.324 -7.601 1.396 1.00 0.00 C ATOM 1037 O ARG A 982 -11.215 -6.517 0.825 1.00 0.00 O ATOM 1038 CB ARG A 982 -13.190 -9.214 1.765 1.00 0.00 C ATOM 1039 CG ARG A 982 -14.115 -8.069 2.182 1.00 0.00 C ATOM 1040 CD ARG A 982 -15.059 -7.684 1.041 1.00 0.00 C ATOM 1041 NE ARG A 982 -16.102 -8.721 0.875 1.00 0.00 N ATOM 1042 CZ ARG A 982 -17.135 -8.618 0.028 1.00 0.00 C ATOM 1043 NH1 ARG A 982 -17.270 -7.525 -0.735 1.00 0.00 N ATOM 1044 NH2 ARG A 982 -18.033 -9.609 -0.055 1.00 0.00 N ATOM 0 H ARG A 982 -11.636 -10.754 0.528 1.00 0.00 H new ATOM 0 HA ARG A 982 -12.642 -8.368 -0.129 1.00 0.00 H new ATOM 0 HB2 ARG A 982 -13.778 -10.018 1.321 1.00 0.00 H new ATOM 0 HB3 ARG A 982 -12.698 -9.628 2.645 1.00 0.00 H new ATOM 0 HG2 ARG A 982 -14.696 -8.366 3.055 1.00 0.00 H new ATOM 0 HG3 ARG A 982 -13.520 -7.204 2.474 1.00 0.00 H new ATOM 0 HD2 ARG A 982 -15.523 -6.720 1.251 1.00 0.00 H new ATOM 0 HD3 ARG A 982 -14.496 -7.571 0.115 1.00 0.00 H new ATOM 0 HE ARG A 982 -16.030 -9.567 1.441 1.00 0.00 H new ATOM 0 HH11 ARG A 982 -16.586 -6.771 -0.671 1.00 0.00 H new ATOM 0 HH12 ARG A 982 -18.057 -7.447 -1.380 1.00 0.00 H new ATOM 0 HH21 ARG A 982 -17.930 -10.441 0.526 1.00 0.00 H new ATOM 0 HH22 ARG A 982 -18.820 -9.532 -0.699 1.00 0.00 H new ATOM 1058 N GLU A 983 -10.774 -7.891 2.566 1.00 0.00 N ATOM 1059 CA GLU A 983 -9.974 -6.912 3.281 1.00 0.00 C ATOM 1060 C GLU A 983 -9.092 -6.131 2.305 1.00 0.00 C ATOM 1061 O GLU A 983 -9.102 -4.901 2.301 1.00 0.00 O ATOM 1062 CB GLU A 983 -9.130 -7.581 4.368 1.00 0.00 C ATOM 1063 CG GLU A 983 -9.841 -7.533 5.722 1.00 0.00 C ATOM 1064 CD GLU A 983 -9.164 -8.464 6.730 1.00 0.00 C ATOM 1065 OE1 GLU A 983 -9.111 -9.678 6.435 1.00 0.00 O ATOM 1066 OE2 GLU A 983 -8.715 -7.941 7.772 1.00 0.00 O ATOM 0 H GLU A 983 -10.867 -8.791 3.037 1.00 0.00 H new ATOM 0 HA GLU A 983 -10.648 -6.210 3.772 1.00 0.00 H new ATOM 0 HB2 GLU A 983 -8.932 -8.617 4.094 1.00 0.00 H new ATOM 0 HB3 GLU A 983 -8.164 -7.081 4.443 1.00 0.00 H new ATOM 0 HG2 GLU A 983 -9.835 -6.512 6.104 1.00 0.00 H new ATOM 0 HG3 GLU A 983 -10.885 -7.822 5.599 1.00 0.00 H new ATOM 1073 N ILE A 984 -8.351 -6.879 1.500 1.00 0.00 N ATOM 1074 CA ILE A 984 -7.465 -6.272 0.521 1.00 0.00 C ATOM 1075 C ILE A 984 -8.263 -5.299 -0.349 1.00 0.00 C ATOM 1076 O ILE A 984 -7.876 -4.142 -0.507 1.00 0.00 O ATOM 1077 CB ILE A 984 -6.731 -7.351 -0.279 1.00 0.00 C ATOM 1078 CG1 ILE A 984 -5.487 -7.836 0.469 1.00 0.00 C ATOM 1079 CG2 ILE A 984 -6.398 -6.858 -1.688 1.00 0.00 C ATOM 1080 CD1 ILE A 984 -4.738 -8.894 -0.344 1.00 0.00 C ATOM 0 H ILE A 984 -8.346 -7.899 1.506 1.00 0.00 H new ATOM 0 HA ILE A 984 -6.688 -5.692 1.019 1.00 0.00 H new ATOM 0 HB ILE A 984 -7.396 -8.208 -0.388 1.00 0.00 H new ATOM 0 HG12 ILE A 984 -4.827 -6.992 0.671 1.00 0.00 H new ATOM 0 HG13 ILE A 984 -5.777 -8.251 1.434 1.00 0.00 H new ATOM 0 HG21 ILE A 984 -5.877 -7.644 -2.235 1.00 0.00 H new ATOM 0 HG22 ILE A 984 -7.319 -6.602 -2.211 1.00 0.00 H new ATOM 0 HG23 ILE A 984 -5.760 -5.977 -1.624 1.00 0.00 H new ATOM 0 HD11 ILE A 984 -3.858 -9.222 0.209 1.00 0.00 H new ATOM 0 HD12 ILE A 984 -5.393 -9.747 -0.523 1.00 0.00 H new ATOM 0 HD13 ILE A 984 -4.428 -8.468 -1.298 1.00 0.00 H new ATOM 1092 N GLU A 985 -9.363 -5.803 -0.889 1.00 0.00 N ATOM 1093 CA GLU A 985 -10.218 -4.992 -1.739 1.00 0.00 C ATOM 1094 C GLU A 985 -10.675 -3.738 -0.990 1.00 0.00 C ATOM 1095 O GLU A 985 -10.633 -2.636 -1.534 1.00 0.00 O ATOM 1096 CB GLU A 985 -11.418 -5.799 -2.239 1.00 0.00 C ATOM 1097 CG GLU A 985 -11.609 -5.620 -3.746 1.00 0.00 C ATOM 1098 CD GLU A 985 -12.277 -4.280 -4.059 1.00 0.00 C ATOM 1099 OE1 GLU A 985 -13.494 -4.177 -3.795 1.00 0.00 O ATOM 1100 OE2 GLU A 985 -11.555 -3.388 -4.556 1.00 0.00 O ATOM 0 H GLU A 985 -9.682 -6.763 -0.754 1.00 0.00 H new ATOM 0 HA GLU A 985 -9.642 -4.682 -2.611 1.00 0.00 H new ATOM 0 HB2 GLU A 985 -11.272 -6.855 -2.010 1.00 0.00 H new ATOM 0 HB3 GLU A 985 -12.319 -5.481 -1.714 1.00 0.00 H new ATOM 0 HG2 GLU A 985 -10.643 -5.675 -4.248 1.00 0.00 H new ATOM 0 HG3 GLU A 985 -12.218 -6.434 -4.138 1.00 0.00 H new ATOM 1107 N MET A 986 -11.101 -3.948 0.247 1.00 0.00 N ATOM 1108 CA MET A 986 -11.564 -2.849 1.076 1.00 0.00 C ATOM 1109 C MET A 986 -10.419 -1.890 1.407 1.00 0.00 C ATOM 1110 O MET A 986 -10.644 -0.702 1.632 1.00 0.00 O ATOM 1111 CB MET A 986 -12.158 -3.402 2.373 1.00 0.00 C ATOM 1112 CG MET A 986 -13.615 -3.825 2.174 1.00 0.00 C ATOM 1113 SD MET A 986 -14.472 -3.819 3.739 1.00 0.00 S ATOM 1114 CE MET A 986 -14.817 -2.075 3.898 1.00 0.00 C ATOM 0 H MET A 986 -11.135 -4.864 0.695 1.00 0.00 H new ATOM 0 HA MET A 986 -12.325 -2.298 0.523 1.00 0.00 H new ATOM 0 HB2 MET A 986 -11.571 -4.256 2.711 1.00 0.00 H new ATOM 0 HB3 MET A 986 -12.099 -2.645 3.155 1.00 0.00 H new ATOM 0 HG2 MET A 986 -14.107 -3.146 1.478 1.00 0.00 H new ATOM 0 HG3 MET A 986 -13.656 -4.820 1.731 1.00 0.00 H new ATOM 0 HE1 MET A 986 -14.670 -1.768 4.933 1.00 0.00 H new ATOM 0 HE2 MET A 986 -14.144 -1.511 3.253 1.00 0.00 H new ATOM 0 HE3 MET A 986 -15.849 -1.880 3.605 1.00 0.00 H new ATOM 1124 N ALA A 987 -9.215 -2.442 1.426 1.00 0.00 N ATOM 1125 CA ALA A 987 -8.033 -1.651 1.725 1.00 0.00 C ATOM 1126 C ALA A 987 -7.735 -0.722 0.547 1.00 0.00 C ATOM 1127 O ALA A 987 -7.383 0.440 0.742 1.00 0.00 O ATOM 1128 CB ALA A 987 -6.862 -2.583 2.044 1.00 0.00 C ATOM 0 H ALA A 987 -9.032 -3.428 1.239 1.00 0.00 H new ATOM 0 HA ALA A 987 -8.201 -1.027 2.603 1.00 0.00 H new ATOM 0 HB1 ALA A 987 -5.975 -1.990 2.268 1.00 0.00 H new ATOM 0 HB2 ALA A 987 -7.113 -3.201 2.906 1.00 0.00 H new ATOM 0 HB3 ALA A 987 -6.662 -3.223 1.185 1.00 0.00 H new ATOM 1134 N GLN A 988 -7.887 -1.269 -0.650 1.00 0.00 N ATOM 1135 CA GLN A 988 -7.638 -0.504 -1.860 1.00 0.00 C ATOM 1136 C GLN A 988 -8.440 0.799 -1.837 1.00 0.00 C ATOM 1137 O GLN A 988 -7.885 1.877 -2.047 1.00 0.00 O ATOM 1138 CB GLN A 988 -7.965 -1.327 -3.107 1.00 0.00 C ATOM 1139 CG GLN A 988 -7.051 -2.550 -3.212 1.00 0.00 C ATOM 1140 CD GLN A 988 -6.880 -2.982 -4.670 1.00 0.00 C ATOM 1141 OE1 GLN A 988 -5.963 -2.572 -5.362 1.00 0.00 O ATOM 1142 NE2 GLN A 988 -7.811 -3.832 -5.095 1.00 0.00 N ATOM 0 H GLN A 988 -8.180 -2.233 -0.808 1.00 0.00 H new ATOM 0 HA GLN A 988 -6.577 -0.255 -1.898 1.00 0.00 H new ATOM 0 HB2 GLN A 988 -9.006 -1.648 -3.072 1.00 0.00 H new ATOM 0 HB3 GLN A 988 -7.852 -0.707 -3.996 1.00 0.00 H new ATOM 0 HG2 GLN A 988 -6.077 -2.319 -2.781 1.00 0.00 H new ATOM 0 HG3 GLN A 988 -7.470 -3.372 -2.632 1.00 0.00 H new ATOM 0 HE21 GLN A 988 -8.552 -4.135 -4.463 1.00 0.00 H new ATOM 0 HE22 GLN A 988 -7.784 -4.181 -6.053 1.00 0.00 H new ATOM 1151 N LYS A 989 -9.732 0.658 -1.582 1.00 0.00 N ATOM 1152 CA LYS A 989 -10.615 1.810 -1.529 1.00 0.00 C ATOM 1153 C LYS A 989 -10.178 2.731 -0.389 1.00 0.00 C ATOM 1154 O LYS A 989 -10.380 3.943 -0.452 1.00 0.00 O ATOM 1155 CB LYS A 989 -12.075 1.363 -1.433 1.00 0.00 C ATOM 1156 CG LYS A 989 -13.016 2.440 -1.975 1.00 0.00 C ATOM 1157 CD LYS A 989 -13.821 3.085 -0.845 1.00 0.00 C ATOM 1158 CE LYS A 989 -15.322 2.871 -1.051 1.00 0.00 C ATOM 1159 NZ LYS A 989 -15.689 1.466 -0.767 1.00 0.00 N ATOM 0 H LYS A 989 -10.189 -0.238 -1.410 1.00 0.00 H new ATOM 0 HA LYS A 989 -10.543 2.387 -2.451 1.00 0.00 H new ATOM 0 HB2 LYS A 989 -12.213 0.439 -1.994 1.00 0.00 H new ATOM 0 HB3 LYS A 989 -12.325 1.146 -0.394 1.00 0.00 H new ATOM 0 HG2 LYS A 989 -12.439 3.203 -2.496 1.00 0.00 H new ATOM 0 HG3 LYS A 989 -13.695 2.000 -2.705 1.00 0.00 H new ATOM 0 HD2 LYS A 989 -13.517 2.660 0.112 1.00 0.00 H new ATOM 0 HD3 LYS A 989 -13.604 4.152 -0.803 1.00 0.00 H new ATOM 0 HE2 LYS A 989 -15.884 3.539 -0.398 1.00 0.00 H new ATOM 0 HE3 LYS A 989 -15.594 3.124 -2.076 1.00 0.00 H new ATOM 0 HZ1 LYS A 989 -16.711 1.338 -0.912 1.00 0.00 H new ATOM 0 HZ2 LYS A 989 -15.167 0.835 -1.408 1.00 0.00 H new ATOM 0 HZ3 LYS A 989 -15.447 1.236 0.218 1.00 0.00 H new ATOM 1173 N LEU A 990 -9.586 2.121 0.628 1.00 0.00 N ATOM 1174 CA LEU A 990 -9.118 2.871 1.781 1.00 0.00 C ATOM 1175 C LEU A 990 -8.012 3.834 1.344 1.00 0.00 C ATOM 1176 O LEU A 990 -8.102 5.037 1.582 1.00 0.00 O ATOM 1177 CB LEU A 990 -8.698 1.921 2.904 1.00 0.00 C ATOM 1178 CG LEU A 990 -9.087 2.344 4.322 1.00 0.00 C ATOM 1179 CD1 LEU A 990 -8.537 1.361 5.358 1.00 0.00 C ATOM 1180 CD2 LEU A 990 -8.646 3.782 4.605 1.00 0.00 C ATOM 0 H LEU A 990 -9.420 1.116 0.677 1.00 0.00 H new ATOM 0 HA LEU A 990 -9.924 3.478 2.193 1.00 0.00 H new ATOM 0 HB2 LEU A 990 -9.134 0.942 2.706 1.00 0.00 H new ATOM 0 HB3 LEU A 990 -7.615 1.802 2.866 1.00 0.00 H new ATOM 0 HG LEU A 990 -10.174 2.319 4.400 1.00 0.00 H new ATOM 0 HD11 LEU A 990 -8.828 1.685 6.357 1.00 0.00 H new ATOM 0 HD12 LEU A 990 -8.941 0.367 5.167 1.00 0.00 H new ATOM 0 HD13 LEU A 990 -7.450 1.330 5.289 1.00 0.00 H new ATOM 0 HD21 LEU A 990 -8.934 4.058 5.619 1.00 0.00 H new ATOM 0 HD22 LEU A 990 -7.563 3.857 4.502 1.00 0.00 H new ATOM 0 HD23 LEU A 990 -9.126 4.456 3.895 1.00 0.00 H new ATOM 1192 N LEU A 991 -6.995 3.267 0.712 1.00 0.00 N ATOM 1193 CA LEU A 991 -5.872 4.060 0.240 1.00 0.00 C ATOM 1194 C LEU A 991 -6.388 5.167 -0.682 1.00 0.00 C ATOM 1195 O LEU A 991 -6.152 6.348 -0.432 1.00 0.00 O ATOM 1196 CB LEU A 991 -4.817 3.162 -0.409 1.00 0.00 C ATOM 1197 CG LEU A 991 -3.532 3.856 -0.862 1.00 0.00 C ATOM 1198 CD1 LEU A 991 -3.183 5.023 0.064 1.00 0.00 C ATOM 1199 CD2 LEU A 991 -2.380 2.856 -0.981 1.00 0.00 C ATOM 0 H LEU A 991 -6.925 2.269 0.516 1.00 0.00 H new ATOM 0 HA LEU A 991 -5.371 4.548 1.076 1.00 0.00 H new ATOM 0 HB2 LEU A 991 -4.552 2.377 0.299 1.00 0.00 H new ATOM 0 HB3 LEU A 991 -5.267 2.673 -1.273 1.00 0.00 H new ATOM 0 HG LEU A 991 -3.702 4.272 -1.855 1.00 0.00 H new ATOM 0 HD11 LEU A 991 -2.265 5.499 -0.281 1.00 0.00 H new ATOM 0 HD12 LEU A 991 -3.995 5.750 0.054 1.00 0.00 H new ATOM 0 HD13 LEU A 991 -3.040 4.652 1.079 1.00 0.00 H new ATOM 0 HD21 LEU A 991 -1.479 3.376 -1.305 1.00 0.00 H new ATOM 0 HD22 LEU A 991 -2.202 2.389 -0.012 1.00 0.00 H new ATOM 0 HD23 LEU A 991 -2.638 2.089 -1.711 1.00 0.00 H new ATOM 1211 N ASN A 992 -7.083 4.746 -1.729 1.00 0.00 N ATOM 1212 CA ASN A 992 -7.633 5.687 -2.689 1.00 0.00 C ATOM 1213 C ASN A 992 -8.318 6.831 -1.940 1.00 0.00 C ATOM 1214 O ASN A 992 -8.073 8.002 -2.228 1.00 0.00 O ATOM 1215 CB ASN A 992 -8.678 5.014 -3.582 1.00 0.00 C ATOM 1216 CG ASN A 992 -8.270 5.090 -5.055 1.00 0.00 C ATOM 1217 OD1 ASN A 992 -8.096 6.155 -5.624 1.00 0.00 O ATOM 1218 ND2 ASN A 992 -8.129 3.903 -5.638 1.00 0.00 N ATOM 0 H ASN A 992 -7.278 3.766 -1.933 1.00 0.00 H new ATOM 0 HA ASN A 992 -6.814 6.057 -3.306 1.00 0.00 H new ATOM 0 HB2 ASN A 992 -8.797 3.971 -3.287 1.00 0.00 H new ATOM 0 HB3 ASN A 992 -9.645 5.497 -3.443 1.00 0.00 H new ATOM 0 HD21 ASN A 992 -7.860 3.846 -6.620 1.00 0.00 H new ATOM 0 HD22 ASN A 992 -8.290 3.050 -5.103 1.00 0.00 H new ATOM 1225 N SER A 993 -9.164 6.453 -0.992 1.00 0.00 N ATOM 1226 CA SER A 993 -9.886 7.434 -0.199 1.00 0.00 C ATOM 1227 C SER A 993 -8.965 8.605 0.151 1.00 0.00 C ATOM 1228 O SER A 993 -9.135 9.708 -0.365 1.00 0.00 O ATOM 1229 CB SER A 993 -10.450 6.803 1.076 1.00 0.00 C ATOM 1230 OG SER A 993 -11.841 7.072 1.234 1.00 0.00 O ATOM 0 H SER A 993 -9.365 5.481 -0.755 1.00 0.00 H new ATOM 0 HA SER A 993 -10.723 7.803 -0.791 1.00 0.00 H new ATOM 0 HB2 SER A 993 -10.290 5.725 1.049 1.00 0.00 H new ATOM 0 HB3 SER A 993 -9.906 7.184 1.940 1.00 0.00 H new ATOM 0 HG SER A 993 -12.164 6.651 2.058 1.00 0.00 H new ATOM 1236 N ASP A 994 -8.010 8.324 1.026 1.00 0.00 N ATOM 1237 CA ASP A 994 -7.063 9.341 1.451 1.00 0.00 C ATOM 1238 C ASP A 994 -6.505 10.058 0.220 1.00 0.00 C ATOM 1239 O ASP A 994 -6.367 11.281 0.219 1.00 0.00 O ATOM 1240 CB ASP A 994 -5.888 8.717 2.207 1.00 0.00 C ATOM 1241 CG ASP A 994 -5.883 8.969 3.716 1.00 0.00 C ATOM 1242 OD1 ASP A 994 -6.980 9.243 4.249 1.00 0.00 O ATOM 1243 OD2 ASP A 994 -4.782 8.883 4.302 1.00 0.00 O ATOM 0 H ASP A 994 -7.872 7.407 1.452 1.00 0.00 H new ATOM 0 HA ASP A 994 -7.586 10.036 2.107 1.00 0.00 H new ATOM 0 HB2 ASP A 994 -5.894 7.641 2.034 1.00 0.00 H new ATOM 0 HB3 ASP A 994 -4.959 9.102 1.786 1.00 0.00 H new ATOM 1248 N LEU A 995 -6.200 9.268 -0.799 1.00 0.00 N ATOM 1249 CA LEU A 995 -5.661 9.812 -2.033 1.00 0.00 C ATOM 1250 C LEU A 995 -6.604 10.894 -2.564 1.00 0.00 C ATOM 1251 O LEU A 995 -6.220 12.057 -2.678 1.00 0.00 O ATOM 1252 CB LEU A 995 -5.383 8.692 -3.037 1.00 0.00 C ATOM 1253 CG LEU A 995 -3.916 8.292 -3.208 1.00 0.00 C ATOM 1254 CD1 LEU A 995 -3.216 9.197 -4.224 1.00 0.00 C ATOM 1255 CD2 LEU A 995 -3.192 8.275 -1.861 1.00 0.00 C ATOM 0 H LEU A 995 -6.316 8.255 -0.795 1.00 0.00 H new ATOM 0 HA LEU A 995 -4.699 10.290 -1.849 1.00 0.00 H new ATOM 0 HB2 LEU A 995 -5.946 7.810 -2.732 1.00 0.00 H new ATOM 0 HB3 LEU A 995 -5.771 8.998 -4.009 1.00 0.00 H new ATOM 0 HG LEU A 995 -3.882 7.277 -3.604 1.00 0.00 H new ATOM 0 HD11 LEU A 995 -2.175 8.891 -4.327 1.00 0.00 H new ATOM 0 HD12 LEU A 995 -3.715 9.115 -5.189 1.00 0.00 H new ATOM 0 HD13 LEU A 995 -3.258 10.231 -3.881 1.00 0.00 H new ATOM 0 HD21 LEU A 995 -2.151 7.988 -2.011 1.00 0.00 H new ATOM 0 HD22 LEU A 995 -3.233 9.268 -1.413 1.00 0.00 H new ATOM 0 HD23 LEU A 995 -3.675 7.557 -1.198 1.00 0.00 H new ATOM 1267 N ALA A 996 -7.821 10.472 -2.874 1.00 0.00 N ATOM 1268 CA ALA A 996 -8.823 11.390 -3.390 1.00 0.00 C ATOM 1269 C ALA A 996 -8.806 12.675 -2.559 1.00 0.00 C ATOM 1270 O ALA A 996 -8.721 13.772 -3.109 1.00 0.00 O ATOM 1271 CB ALA A 996 -10.193 10.708 -3.382 1.00 0.00 C ATOM 0 H ALA A 996 -8.136 9.507 -2.778 1.00 0.00 H new ATOM 0 HA ALA A 996 -8.600 11.661 -4.422 1.00 0.00 H new ATOM 0 HB1 ALA A 996 -10.944 11.396 -3.769 1.00 0.00 H new ATOM 0 HB2 ALA A 996 -10.160 9.817 -4.009 1.00 0.00 H new ATOM 0 HB3 ALA A 996 -10.452 10.424 -2.362 1.00 0.00 H new ATOM 1277 N GLU A 997 -8.889 12.496 -1.249 1.00 0.00 N ATOM 1278 CA GLU A 997 -8.885 13.628 -0.338 1.00 0.00 C ATOM 1279 C GLU A 997 -7.536 14.348 -0.392 1.00 0.00 C ATOM 1280 O GLU A 997 -7.459 15.549 -0.141 1.00 0.00 O ATOM 1281 CB GLU A 997 -9.212 13.184 1.089 1.00 0.00 C ATOM 1282 CG GLU A 997 -9.717 14.360 1.927 1.00 0.00 C ATOM 1283 CD GLU A 997 -11.241 14.476 1.846 1.00 0.00 C ATOM 1284 OE1 GLU A 997 -11.888 13.410 1.767 1.00 0.00 O ATOM 1285 OE2 GLU A 997 -11.724 15.629 1.866 1.00 0.00 O ATOM 0 H GLU A 997 -8.959 11.584 -0.797 1.00 0.00 H new ATOM 0 HA GLU A 997 -9.660 14.326 -0.653 1.00 0.00 H new ATOM 0 HB2 GLU A 997 -9.968 12.399 1.065 1.00 0.00 H new ATOM 0 HB3 GLU A 997 -8.323 12.757 1.553 1.00 0.00 H new ATOM 0 HG2 GLU A 997 -9.413 14.228 2.966 1.00 0.00 H new ATOM 0 HG3 GLU A 997 -9.259 15.285 1.576 1.00 0.00 H new ATOM 1292 N LEU A 998 -6.506 13.583 -0.722 1.00 0.00 N ATOM 1293 CA LEU A 998 -5.164 14.133 -0.813 1.00 0.00 C ATOM 1294 C LEU A 998 -5.037 14.947 -2.102 1.00 0.00 C ATOM 1295 O LEU A 998 -4.467 16.037 -2.098 1.00 0.00 O ATOM 1296 CB LEU A 998 -4.120 13.022 -0.682 1.00 0.00 C ATOM 1297 CG LEU A 998 -2.670 13.430 -0.952 1.00 0.00 C ATOM 1298 CD1 LEU A 998 -1.702 12.608 -0.099 1.00 0.00 C ATOM 1299 CD2 LEU A 998 -2.342 13.335 -2.443 1.00 0.00 C ATOM 0 H LEU A 998 -6.574 12.587 -0.930 1.00 0.00 H new ATOM 0 HA LEU A 998 -4.975 14.816 0.015 1.00 0.00 H new ATOM 0 HB2 LEU A 998 -4.180 12.611 0.326 1.00 0.00 H new ATOM 0 HB3 LEU A 998 -4.385 12.219 -1.370 1.00 0.00 H new ATOM 0 HG LEU A 998 -2.549 14.474 -0.662 1.00 0.00 H new ATOM 0 HD11 LEU A 998 -0.678 12.917 -0.310 1.00 0.00 H new ATOM 0 HD12 LEU A 998 -1.920 12.770 0.957 1.00 0.00 H new ATOM 0 HD13 LEU A 998 -1.817 11.550 -0.335 1.00 0.00 H new ATOM 0 HD21 LEU A 998 -1.306 13.630 -2.607 1.00 0.00 H new ATOM 0 HD22 LEU A 998 -2.485 12.309 -2.782 1.00 0.00 H new ATOM 0 HD23 LEU A 998 -3.001 13.998 -3.004 1.00 0.00 H new ATOM 1311 N ILE A 999 -5.579 14.388 -3.173 1.00 0.00 N ATOM 1312 CA ILE A 999 -5.534 15.048 -4.466 1.00 0.00 C ATOM 1313 C ILE A 999 -6.221 16.411 -4.363 1.00 0.00 C ATOM 1314 O ILE A 999 -5.675 17.421 -4.803 1.00 0.00 O ATOM 1315 CB ILE A 999 -6.122 14.144 -5.551 1.00 0.00 C ATOM 1316 CG1 ILE A 999 -5.393 12.799 -5.599 1.00 0.00 C ATOM 1317 CG2 ILE A 999 -6.119 14.845 -6.911 1.00 0.00 C ATOM 1318 CD1 ILE A 999 -4.103 12.903 -6.415 1.00 0.00 C ATOM 0 H ILE A 999 -6.052 13.484 -3.172 1.00 0.00 H new ATOM 0 HA ILE A 999 -4.501 15.232 -4.763 1.00 0.00 H new ATOM 0 HB ILE A 999 -7.162 13.939 -5.297 1.00 0.00 H new ATOM 0 HG12 ILE A 999 -5.161 12.471 -4.586 1.00 0.00 H new ATOM 0 HG13 ILE A 999 -6.045 12.043 -6.037 1.00 0.00 H new ATOM 0 HG21 ILE A 999 -6.542 14.180 -7.664 1.00 0.00 H new ATOM 0 HG22 ILE A 999 -6.717 15.755 -6.853 1.00 0.00 H new ATOM 0 HG23 ILE A 999 -5.096 15.100 -7.186 1.00 0.00 H new ATOM 0 HD11 ILE A 999 -3.605 11.934 -6.433 1.00 0.00 H new ATOM 0 HD12 ILE A 999 -4.341 13.208 -7.434 1.00 0.00 H new ATOM 0 HD13 ILE A 999 -3.443 13.642 -5.960 1.00 0.00 H new ATOM 1330 N ASN A1000 -7.410 16.395 -3.777 1.00 0.00 N ATOM 1331 CA ASN A1000 -8.178 17.617 -3.610 1.00 0.00 C ATOM 1332 C ASN A1000 -7.352 18.628 -2.813 1.00 0.00 C ATOM 1333 O ASN A1000 -7.189 19.772 -3.235 1.00 0.00 O ATOM 1334 CB ASN A1000 -9.473 17.352 -2.839 1.00 0.00 C ATOM 1335 CG ASN A1000 -10.538 18.397 -3.180 1.00 0.00 C ATOM 1336 OD1 ASN A1000 -10.500 19.044 -4.213 1.00 0.00 O ATOM 1337 ND2 ASN A1000 -11.486 18.525 -2.256 1.00 0.00 N ATOM 0 H ASN A1000 -7.860 15.555 -3.412 1.00 0.00 H new ATOM 0 HA ASN A1000 -8.420 18.002 -4.601 1.00 0.00 H new ATOM 0 HB2 ASN A1000 -9.846 16.356 -3.079 1.00 0.00 H new ATOM 0 HB3 ASN A1000 -9.272 17.368 -1.768 1.00 0.00 H new ATOM 0 HD21 ASN A1000 -12.242 19.197 -2.390 1.00 0.00 H new ATOM 0 HD22 ASN A1000 -11.458 17.951 -1.413 1.00 0.00 H new ATOM 1344 N LYS A1001 -6.852 18.170 -1.675 1.00 0.00 N ATOM 1345 CA LYS A1001 -6.047 19.021 -0.815 1.00 0.00 C ATOM 1346 C LYS A1001 -5.057 19.814 -1.672 1.00 0.00 C ATOM 1347 O LYS A1001 -4.860 21.008 -1.453 1.00 0.00 O ATOM 1348 CB LYS A1001 -5.382 18.193 0.286 1.00 0.00 C ATOM 1349 CG LYS A1001 -5.799 18.689 1.672 1.00 0.00 C ATOM 1350 CD LYS A1001 -6.913 17.815 2.254 1.00 0.00 C ATOM 1351 CE LYS A1001 -6.633 17.473 3.719 1.00 0.00 C ATOM 1352 NZ LYS A1001 -7.328 18.425 4.615 1.00 0.00 N ATOM 0 H LYS A1001 -6.989 17.221 -1.328 1.00 0.00 H new ATOM 0 HA LYS A1001 -6.676 19.747 -0.300 1.00 0.00 H new ATOM 0 HB2 LYS A1001 -5.656 17.144 0.173 1.00 0.00 H new ATOM 0 HB3 LYS A1001 -4.298 18.251 0.186 1.00 0.00 H new ATOM 0 HG2 LYS A1001 -4.938 18.680 2.340 1.00 0.00 H new ATOM 0 HG3 LYS A1001 -6.140 19.722 1.605 1.00 0.00 H new ATOM 0 HD2 LYS A1001 -7.867 18.335 2.174 1.00 0.00 H new ATOM 0 HD3 LYS A1001 -7.001 16.897 1.673 1.00 0.00 H new ATOM 0 HE2 LYS A1001 -6.964 16.456 3.931 1.00 0.00 H new ATOM 0 HE3 LYS A1001 -5.560 17.504 3.907 1.00 0.00 H new ATOM 0 HZ1 LYS A1001 -7.128 18.179 5.605 1.00 0.00 H new ATOM 0 HZ2 LYS A1001 -6.992 19.390 4.423 1.00 0.00 H new ATOM 0 HZ3 LYS A1001 -8.353 18.375 4.446 1.00 0.00 H new ATOM 1366 N MET A1002 -4.461 19.117 -2.628 1.00 0.00 N ATOM 1367 CA MET A1002 -3.497 19.740 -3.518 1.00 0.00 C ATOM 1368 C MET A1002 -4.172 20.780 -4.415 1.00 0.00 C ATOM 1369 O MET A1002 -3.817 21.958 -4.382 1.00 0.00 O ATOM 1370 CB MET A1002 -2.836 18.668 -4.387 1.00 0.00 C ATOM 1371 CG MET A1002 -1.873 19.297 -5.396 1.00 0.00 C ATOM 1372 SD MET A1002 -1.923 18.393 -6.934 1.00 0.00 S ATOM 1373 CE MET A1002 -3.128 19.362 -7.824 1.00 0.00 C ATOM 0 H MET A1002 -4.627 18.126 -2.806 1.00 0.00 H new ATOM 0 HA MET A1002 -2.744 20.244 -2.912 1.00 0.00 H new ATOM 0 HB2 MET A1002 -2.296 17.964 -3.754 1.00 0.00 H new ATOM 0 HB3 MET A1002 -3.602 18.100 -4.915 1.00 0.00 H new ATOM 0 HG2 MET A1002 -2.143 20.339 -5.568 1.00 0.00 H new ATOM 0 HG3 MET A1002 -0.859 19.293 -4.995 1.00 0.00 H new ATOM 0 HE1 MET A1002 -3.089 19.107 -8.883 1.00 0.00 H new ATOM 0 HE2 MET A1002 -4.124 19.149 -7.436 1.00 0.00 H new ATOM 0 HE3 MET A1002 -2.908 20.422 -7.697 1.00 0.00 H new ATOM 1383 N LYS A1003 -5.132 20.308 -5.196 1.00 0.00 N ATOM 1384 CA LYS A1003 -5.860 21.182 -6.100 1.00 0.00 C ATOM 1385 C LYS A1003 -6.139 22.514 -5.401 1.00 0.00 C ATOM 1386 O LYS A1003 -6.188 23.560 -6.047 1.00 0.00 O ATOM 1387 CB LYS A1003 -7.119 20.486 -6.621 1.00 0.00 C ATOM 1388 CG LYS A1003 -6.990 20.163 -8.111 1.00 0.00 C ATOM 1389 CD LYS A1003 -8.351 19.817 -8.717 1.00 0.00 C ATOM 1390 CE LYS A1003 -9.079 21.078 -9.186 1.00 0.00 C ATOM 1391 NZ LYS A1003 -9.158 21.112 -10.664 1.00 0.00 N ATOM 0 H LYS A1003 -5.423 19.331 -5.222 1.00 0.00 H new ATOM 0 HA LYS A1003 -5.258 21.404 -6.981 1.00 0.00 H new ATOM 0 HB2 LYS A1003 -7.290 19.567 -6.060 1.00 0.00 H new ATOM 0 HB3 LYS A1003 -7.986 21.125 -6.458 1.00 0.00 H new ATOM 0 HG2 LYS A1003 -6.561 21.016 -8.636 1.00 0.00 H new ATOM 0 HG3 LYS A1003 -6.304 19.327 -8.247 1.00 0.00 H new ATOM 0 HD2 LYS A1003 -8.216 19.137 -9.558 1.00 0.00 H new ATOM 0 HD3 LYS A1003 -8.960 19.295 -7.979 1.00 0.00 H new ATOM 0 HE2 LYS A1003 -10.083 21.105 -8.762 1.00 0.00 H new ATOM 0 HE3 LYS A1003 -8.556 21.963 -8.823 1.00 0.00 H new ATOM 0 HZ1 LYS A1003 -9.655 21.974 -10.965 1.00 0.00 H new ATOM 0 HZ2 LYS A1003 -8.198 21.109 -11.063 1.00 0.00 H new ATOM 0 HZ3 LYS A1003 -9.677 20.277 -11.003 1.00 0.00 H new ATOM 1405 N LEU A1004 -6.314 22.432 -4.090 1.00 0.00 N ATOM 1406 CA LEU A1004 -6.586 23.619 -3.296 1.00 0.00 C ATOM 1407 C LEU A1004 -5.267 24.319 -2.964 1.00 0.00 C ATOM 1408 O LEU A1004 -5.082 25.490 -3.292 1.00 0.00 O ATOM 1409 CB LEU A1004 -7.419 23.259 -2.064 1.00 0.00 C ATOM 1410 CG LEU A1004 -8.644 22.378 -2.316 1.00 0.00 C ATOM 1411 CD1 LEU A1004 -9.097 21.688 -1.029 1.00 0.00 C ATOM 1412 CD2 LEU A1004 -9.773 23.181 -2.964 1.00 0.00 C ATOM 0 H LEU A1004 -6.273 21.563 -3.558 1.00 0.00 H new ATOM 0 HA LEU A1004 -7.188 24.328 -3.864 1.00 0.00 H new ATOM 0 HB2 LEU A1004 -6.772 22.751 -1.348 1.00 0.00 H new ATOM 0 HB3 LEU A1004 -7.752 24.184 -1.592 1.00 0.00 H new ATOM 0 HG LEU A1004 -8.362 21.594 -3.019 1.00 0.00 H new ATOM 0 HD11 LEU A1004 -9.969 21.068 -1.236 1.00 0.00 H new ATOM 0 HD12 LEU A1004 -8.290 21.063 -0.648 1.00 0.00 H new ATOM 0 HD13 LEU A1004 -9.356 22.441 -0.284 1.00 0.00 H new ATOM 0 HD21 LEU A1004 -10.632 22.531 -3.132 1.00 0.00 H new ATOM 0 HD22 LEU A1004 -10.062 24.000 -2.305 1.00 0.00 H new ATOM 0 HD23 LEU A1004 -9.432 23.585 -3.917 1.00 0.00 H new ATOM 1424 N ALA A1005 -4.384 23.572 -2.317 1.00 0.00 N ATOM 1425 CA ALA A1005 -3.088 24.106 -1.937 1.00 0.00 C ATOM 1426 C ALA A1005 -2.497 24.885 -3.114 1.00 0.00 C ATOM 1427 O ALA A1005 -1.878 25.931 -2.923 1.00 0.00 O ATOM 1428 CB ALA A1005 -2.179 22.964 -1.479 1.00 0.00 C ATOM 0 H ALA A1005 -4.541 22.601 -2.047 1.00 0.00 H new ATOM 0 HA ALA A1005 -3.189 24.798 -1.101 1.00 0.00 H new ATOM 0 HB1 ALA A1005 -1.206 23.365 -1.194 1.00 0.00 H new ATOM 0 HB2 ALA A1005 -2.629 22.461 -0.623 1.00 0.00 H new ATOM 0 HB3 ALA A1005 -2.053 22.251 -2.293 1.00 0.00 H new ATOM 1434 N GLN A1006 -2.708 24.345 -4.305 1.00 0.00 N ATOM 1435 CA GLN A1006 -2.204 24.977 -5.513 1.00 0.00 C ATOM 1436 C GLN A1006 -2.673 26.431 -5.587 1.00 0.00 C ATOM 1437 O GLN A1006 -1.934 27.303 -6.044 1.00 0.00 O ATOM 1438 CB GLN A1006 -2.634 24.199 -6.758 1.00 0.00 C ATOM 1439 CG GLN A1006 -1.735 24.532 -7.950 1.00 0.00 C ATOM 1440 CD GLN A1006 -2.568 24.872 -9.188 1.00 0.00 C ATOM 1441 OE1 GLN A1006 -3.407 24.105 -9.633 1.00 0.00 O ATOM 1442 NE2 GLN A1006 -2.292 26.060 -9.717 1.00 0.00 N ATOM 0 H GLN A1006 -3.221 23.477 -4.460 1.00 0.00 H new ATOM 0 HA GLN A1006 -1.115 24.969 -5.477 1.00 0.00 H new ATOM 0 HB2 GLN A1006 -2.593 23.129 -6.555 1.00 0.00 H new ATOM 0 HB3 GLN A1006 -3.669 24.438 -7.001 1.00 0.00 H new ATOM 0 HG2 GLN A1006 -1.090 25.374 -7.699 1.00 0.00 H new ATOM 0 HG3 GLN A1006 -1.084 23.685 -8.167 1.00 0.00 H new ATOM 0 HE21 GLN A1006 -1.578 26.653 -9.295 1.00 0.00 H new ATOM 0 HE22 GLN A1006 -2.795 26.379 -10.545 1.00 0.00 H new ATOM 1451 N GLN A1007 -3.897 26.650 -5.129 1.00 0.00 N ATOM 1452 CA GLN A1007 -4.472 27.984 -5.138 1.00 0.00 C ATOM 1453 C GLN A1007 -4.336 28.629 -3.757 1.00 0.00 C ATOM 1454 O GLN A1007 -4.237 29.850 -3.646 1.00 0.00 O ATOM 1455 CB GLN A1007 -5.935 27.947 -5.584 1.00 0.00 C ATOM 1456 CG GLN A1007 -6.390 29.319 -6.085 1.00 0.00 C ATOM 1457 CD GLN A1007 -7.906 29.476 -5.954 1.00 0.00 C ATOM 1458 OE1 GLN A1007 -8.605 28.608 -5.457 1.00 0.00 O ATOM 1459 NE2 GLN A1007 -8.374 30.628 -6.426 1.00 0.00 N ATOM 0 H GLN A1007 -4.506 25.926 -4.749 1.00 0.00 H new ATOM 0 HA GLN A1007 -3.922 28.591 -5.857 1.00 0.00 H new ATOM 0 HB2 GLN A1007 -6.059 27.207 -6.375 1.00 0.00 H new ATOM 0 HB3 GLN A1007 -6.565 27.632 -4.752 1.00 0.00 H new ATOM 0 HG2 GLN A1007 -5.889 30.102 -5.516 1.00 0.00 H new ATOM 0 HG3 GLN A1007 -6.097 29.445 -7.127 1.00 0.00 H new ATOM 0 HE21 GLN A1007 -7.734 31.312 -6.830 1.00 0.00 H new ATOM 0 HE22 GLN A1007 -9.373 30.828 -6.384 1.00 0.00 H new ATOM 1468 N TYR A1008 -4.336 27.780 -2.740 1.00 0.00 N ATOM 1469 CA TYR A1008 -4.214 28.253 -1.371 1.00 0.00 C ATOM 1470 C TYR A1008 -2.745 28.350 -0.954 1.00 0.00 C ATOM 1471 O TYR A1008 -2.412 28.140 0.211 1.00 0.00 O ATOM 1472 CB TYR A1008 -4.911 27.206 -0.500 1.00 0.00 C ATOM 1473 CG TYR A1008 -6.432 27.361 -0.438 1.00 0.00 C ATOM 1474 CD1 TYR A1008 -6.999 28.245 0.457 1.00 0.00 C ATOM 1475 CD2 TYR A1008 -7.236 26.616 -1.277 1.00 0.00 C ATOM 1476 CE1 TYR A1008 -8.431 28.391 0.516 1.00 0.00 C ATOM 1477 CE2 TYR A1008 -8.667 26.762 -1.218 1.00 0.00 C ATOM 1478 CZ TYR A1008 -9.194 27.642 -0.325 1.00 0.00 C ATOM 1479 OH TYR A1008 -10.546 27.780 -0.270 1.00 0.00 O ATOM 0 H TYR A1008 -4.418 26.768 -2.836 1.00 0.00 H new ATOM 0 HA TYR A1008 -4.655 29.244 -1.266 1.00 0.00 H new ATOM 0 HB2 TYR A1008 -4.672 26.213 -0.882 1.00 0.00 H new ATOM 0 HB3 TYR A1008 -4.509 27.263 0.511 1.00 0.00 H new ATOM 0 HD1 TYR A1008 -6.369 28.827 1.113 1.00 0.00 H new ATOM 0 HD2 TYR A1008 -6.792 25.924 -1.977 1.00 0.00 H new ATOM 0 HE1 TYR A1008 -8.888 29.079 1.212 1.00 0.00 H new ATOM 0 HE2 TYR A1008 -9.308 26.185 -1.869 1.00 0.00 H new ATOM 0 HH TYR A1008 -10.963 27.185 -0.928 1.00 0.00 H new ATOM 1489 N VAL A1009 -1.906 28.668 -1.928 1.00 0.00 N ATOM 1490 CA VAL A1009 -0.481 28.796 -1.677 1.00 0.00 C ATOM 1491 C VAL A1009 -0.027 30.210 -2.044 1.00 0.00 C ATOM 1492 O VAL A1009 0.671 30.863 -1.270 1.00 0.00 O ATOM 1493 CB VAL A1009 0.284 27.708 -2.433 1.00 0.00 C ATOM 1494 CG1 VAL A1009 -0.036 27.751 -3.929 1.00 0.00 C ATOM 1495 CG2 VAL A1009 1.790 27.826 -2.191 1.00 0.00 C ATOM 0 H VAL A1009 -2.186 28.841 -2.893 1.00 0.00 H new ATOM 0 HA VAL A1009 -0.266 28.650 -0.618 1.00 0.00 H new ATOM 0 HB VAL A1009 -0.042 26.742 -2.048 1.00 0.00 H new ATOM 0 HG11 VAL A1009 0.521 26.967 -4.443 1.00 0.00 H new ATOM 0 HG12 VAL A1009 -1.104 27.594 -4.077 1.00 0.00 H new ATOM 0 HG13 VAL A1009 0.247 28.723 -4.334 1.00 0.00 H new ATOM 0 HG21 VAL A1009 2.309 27.041 -2.740 1.00 0.00 H new ATOM 0 HG22 VAL A1009 2.138 28.800 -2.534 1.00 0.00 H new ATOM 0 HG23 VAL A1009 1.997 27.722 -1.126 1.00 0.00 H new ATOM 1505 N MET A1010 -0.442 30.642 -3.226 1.00 0.00 N ATOM 1506 CA MET A1010 -0.087 31.967 -3.706 1.00 0.00 C ATOM 1507 C MET A1010 -0.638 33.052 -2.778 1.00 0.00 C ATOM 1508 O MET A1010 -0.181 34.193 -2.812 1.00 0.00 O ATOM 1509 CB MET A1010 -0.647 32.167 -5.115 1.00 0.00 C ATOM 1510 CG MET A1010 -2.115 31.743 -5.187 1.00 0.00 C ATOM 1511 SD MET A1010 -3.132 33.138 -5.643 1.00 0.00 S ATOM 1512 CE MET A1010 -3.884 33.503 -4.066 1.00 0.00 C ATOM 0 H MET A1010 -1.021 30.098 -3.866 1.00 0.00 H new ATOM 0 HA MET A1010 1.000 32.048 -3.723 1.00 0.00 H new ATOM 0 HB2 MET A1010 -0.553 33.214 -5.402 1.00 0.00 H new ATOM 0 HB3 MET A1010 -0.062 31.587 -5.828 1.00 0.00 H new ATOM 0 HG2 MET A1010 -2.235 30.941 -5.916 1.00 0.00 H new ATOM 0 HG3 MET A1010 -2.436 31.348 -4.223 1.00 0.00 H new ATOM 0 HE1 MET A1010 -4.936 33.746 -4.212 1.00 0.00 H new ATOM 0 HE2 MET A1010 -3.800 32.634 -3.413 1.00 0.00 H new ATOM 0 HE3 MET A1010 -3.376 34.352 -3.608 1.00 0.00 H new ATOM 1522 N THR A1011 -1.612 32.657 -1.972 1.00 0.00 N ATOM 1523 CA THR A1011 -2.231 33.581 -1.037 1.00 0.00 C ATOM 1524 C THR A1011 -1.258 33.931 0.090 1.00 0.00 C ATOM 1525 O THR A1011 -0.647 34.998 0.079 1.00 0.00 O ATOM 1526 CB THR A1011 -3.534 32.951 -0.541 1.00 0.00 C ATOM 1527 OG1 THR A1011 -3.440 31.590 -0.953 1.00 0.00 O ATOM 1528 CG2 THR A1011 -4.761 33.481 -1.285 1.00 0.00 C ATOM 0 H THR A1011 -1.988 31.709 -1.947 1.00 0.00 H new ATOM 0 HA THR A1011 -2.474 34.528 -1.520 1.00 0.00 H new ATOM 0 HB THR A1011 -3.646 33.142 0.526 1.00 0.00 H new ATOM 0 HG1 THR A1011 -2.774 31.127 -0.403 1.00 0.00 H new ATOM 0 HG21 THR A1011 -5.659 33.002 -0.894 1.00 0.00 H new ATOM 0 HG22 THR A1011 -4.835 34.559 -1.143 1.00 0.00 H new ATOM 0 HG23 THR A1011 -4.665 33.260 -2.348 1.00 0.00 H new ATOM 1536 N SER A1012 -1.143 33.010 1.037 1.00 0.00 N ATOM 1537 CA SER A1012 -0.254 33.208 2.169 1.00 0.00 C ATOM 1538 C SER A1012 -0.428 32.068 3.175 1.00 0.00 C ATOM 1539 O SER A1012 0.533 31.658 3.825 1.00 0.00 O ATOM 1540 CB SER A1012 -0.513 34.556 2.844 1.00 0.00 C ATOM 1541 OG SER A1012 -1.810 35.064 2.541 1.00 0.00 O ATOM 0 H SER A1012 -1.651 32.125 1.043 1.00 0.00 H new ATOM 0 HA SER A1012 0.773 33.208 1.802 1.00 0.00 H new ATOM 0 HB2 SER A1012 -0.409 34.447 3.924 1.00 0.00 H new ATOM 0 HB3 SER A1012 0.242 35.274 2.522 1.00 0.00 H new ATOM 0 HG SER A1012 -1.938 35.925 2.992 1.00 0.00 H new ATOM 1547 N LEU A1013 -1.659 31.589 3.272 1.00 0.00 N ATOM 1548 CA LEU A1013 -1.970 30.505 4.188 1.00 0.00 C ATOM 1549 C LEU A1013 -1.552 29.175 3.559 1.00 0.00 C ATOM 1550 O LEU A1013 -2.352 28.245 3.475 1.00 0.00 O ATOM 1551 CB LEU A1013 -3.444 30.556 4.597 1.00 0.00 C ATOM 1552 CG LEU A1013 -4.460 30.445 3.458 1.00 0.00 C ATOM 1553 CD1 LEU A1013 -4.894 28.993 3.249 1.00 0.00 C ATOM 1554 CD2 LEU A1013 -5.654 31.372 3.696 1.00 0.00 C ATOM 0 H LEU A1013 -2.453 31.932 2.731 1.00 0.00 H new ATOM 0 HA LEU A1013 -1.402 30.613 5.112 1.00 0.00 H new ATOM 0 HB2 LEU A1013 -3.632 29.749 5.305 1.00 0.00 H new ATOM 0 HB3 LEU A1013 -3.622 31.492 5.126 1.00 0.00 H new ATOM 0 HG LEU A1013 -3.977 30.772 2.537 1.00 0.00 H new ATOM 0 HD11 LEU A1013 -5.616 28.943 2.434 1.00 0.00 H new ATOM 0 HD12 LEU A1013 -4.024 28.385 3.001 1.00 0.00 H new ATOM 0 HD13 LEU A1013 -5.352 28.615 4.163 1.00 0.00 H new ATOM 0 HD21 LEU A1013 -6.361 31.274 2.872 1.00 0.00 H new ATOM 0 HD22 LEU A1013 -6.145 31.100 4.630 1.00 0.00 H new ATOM 0 HD23 LEU A1013 -5.307 32.404 3.756 1.00 0.00 H new ATOM 1566 N GLN A1014 -0.298 29.128 3.132 1.00 0.00 N ATOM 1567 CA GLN A1014 0.236 27.927 2.512 1.00 0.00 C ATOM 1568 C GLN A1014 0.610 26.899 3.582 1.00 0.00 C ATOM 1569 O GLN A1014 -0.018 25.846 3.683 1.00 0.00 O ATOM 1570 CB GLN A1014 1.438 28.257 1.625 1.00 0.00 C ATOM 1571 CG GLN A1014 2.072 26.982 1.064 1.00 0.00 C ATOM 1572 CD GLN A1014 3.590 26.997 1.249 1.00 0.00 C ATOM 1573 OE1 GLN A1014 4.337 27.496 0.423 1.00 0.00 O ATOM 1574 NE2 GLN A1014 4.004 26.424 2.375 1.00 0.00 N ATOM 0 H GLN A1014 0.363 29.902 3.203 1.00 0.00 H new ATOM 0 HA GLN A1014 -0.536 27.495 1.875 1.00 0.00 H new ATOM 0 HB2 GLN A1014 1.123 28.902 0.805 1.00 0.00 H new ATOM 0 HB3 GLN A1014 2.178 28.812 2.201 1.00 0.00 H new ATOM 0 HG2 GLN A1014 1.650 26.111 1.565 1.00 0.00 H new ATOM 0 HG3 GLN A1014 1.832 26.888 0.005 1.00 0.00 H new ATOM 0 HE21 GLN A1014 3.325 26.025 3.024 1.00 0.00 H new ATOM 0 HE22 GLN A1014 5.000 26.383 2.590 1.00 0.00 H new ATOM 1583 N GLN A1015 1.631 27.241 4.354 1.00 0.00 N ATOM 1584 CA GLN A1015 2.096 26.361 5.413 1.00 0.00 C ATOM 1585 C GLN A1015 0.907 25.762 6.166 1.00 0.00 C ATOM 1586 O GLN A1015 0.994 24.654 6.692 1.00 0.00 O ATOM 1587 CB GLN A1015 3.035 27.100 6.368 1.00 0.00 C ATOM 1588 CG GLN A1015 2.592 28.553 6.557 1.00 0.00 C ATOM 1589 CD GLN A1015 3.086 29.107 7.895 1.00 0.00 C ATOM 1590 OE1 GLN A1015 4.029 29.877 7.967 1.00 0.00 O ATOM 1591 NE2 GLN A1015 2.397 28.673 8.947 1.00 0.00 N ATOM 0 H GLN A1015 2.149 28.115 4.267 1.00 0.00 H new ATOM 0 HA GLN A1015 2.661 25.546 4.960 1.00 0.00 H new ATOM 0 HB2 GLN A1015 3.052 26.593 7.333 1.00 0.00 H new ATOM 0 HB3 GLN A1015 4.052 27.074 5.977 1.00 0.00 H new ATOM 0 HG2 GLN A1015 2.979 29.164 5.741 1.00 0.00 H new ATOM 0 HG3 GLN A1015 1.505 28.614 6.513 1.00 0.00 H new ATOM 0 HE21 GLN A1015 1.618 28.028 8.815 1.00 0.00 H new ATOM 0 HE22 GLN A1015 2.648 28.985 9.885 1.00 0.00 H new ATOM 1600 N GLU A1016 -0.178 26.523 6.195 1.00 0.00 N ATOM 1601 CA GLU A1016 -1.384 26.082 6.876 1.00 0.00 C ATOM 1602 C GLU A1016 -1.990 24.877 6.154 1.00 0.00 C ATOM 1603 O GLU A1016 -2.070 23.787 6.717 1.00 0.00 O ATOM 1604 CB GLU A1016 -2.398 27.222 6.988 1.00 0.00 C ATOM 1605 CG GLU A1016 -3.756 26.702 7.463 1.00 0.00 C ATOM 1606 CD GLU A1016 -4.324 27.588 8.574 1.00 0.00 C ATOM 1607 OE1 GLU A1016 -3.859 27.426 9.723 1.00 0.00 O ATOM 1608 OE2 GLU A1016 -5.210 28.408 8.249 1.00 0.00 O ATOM 0 H GLU A1016 -0.247 27.442 5.758 1.00 0.00 H new ATOM 0 HA GLU A1016 -1.117 25.778 7.888 1.00 0.00 H new ATOM 0 HB2 GLU A1016 -2.029 27.975 7.684 1.00 0.00 H new ATOM 0 HB3 GLU A1016 -2.510 27.711 6.020 1.00 0.00 H new ATOM 0 HG2 GLU A1016 -4.452 26.673 6.625 1.00 0.00 H new ATOM 0 HG3 GLU A1016 -3.651 25.680 7.826 1.00 0.00 H new ATOM 1615 N TYR A1017 -2.402 25.115 4.917 1.00 0.00 N ATOM 1616 CA TYR A1017 -2.999 24.063 4.112 1.00 0.00 C ATOM 1617 C TYR A1017 -1.988 22.950 3.827 1.00 0.00 C ATOM 1618 O TYR A1017 -2.340 21.771 3.828 1.00 0.00 O ATOM 1619 CB TYR A1017 -3.402 24.720 2.790 1.00 0.00 C ATOM 1620 CG TYR A1017 -4.903 24.986 2.660 1.00 0.00 C ATOM 1621 CD1 TYR A1017 -5.556 25.740 3.613 1.00 0.00 C ATOM 1622 CD2 TYR A1017 -5.604 24.471 1.588 1.00 0.00 C ATOM 1623 CE1 TYR A1017 -6.968 25.990 3.491 1.00 0.00 C ATOM 1624 CE2 TYR A1017 -7.017 24.721 1.465 1.00 0.00 C ATOM 1625 CZ TYR A1017 -7.629 25.469 2.423 1.00 0.00 C ATOM 1626 OH TYR A1017 -8.964 25.705 2.307 1.00 0.00 O ATOM 0 H TYR A1017 -2.334 26.021 4.453 1.00 0.00 H new ATOM 0 HA TYR A1017 -3.846 23.616 4.632 1.00 0.00 H new ATOM 0 HB2 TYR A1017 -2.866 25.663 2.687 1.00 0.00 H new ATOM 0 HB3 TYR A1017 -3.084 24.081 1.966 1.00 0.00 H new ATOM 0 HD1 TYR A1017 -5.007 26.143 4.451 1.00 0.00 H new ATOM 0 HD2 TYR A1017 -5.093 23.881 0.842 1.00 0.00 H new ATOM 0 HE1 TYR A1017 -7.491 26.578 4.231 1.00 0.00 H new ATOM 0 HE2 TYR A1017 -7.578 24.324 0.632 1.00 0.00 H new ATOM 0 HH TYR A1017 -9.116 26.396 1.629 1.00 0.00 H new ATOM 1636 N LYS A1018 -0.752 23.364 3.590 1.00 0.00 N ATOM 1637 CA LYS A1018 0.312 22.417 3.304 1.00 0.00 C ATOM 1638 C LYS A1018 0.414 21.409 4.450 1.00 0.00 C ATOM 1639 O LYS A1018 0.598 20.215 4.218 1.00 0.00 O ATOM 1640 CB LYS A1018 1.622 23.153 3.015 1.00 0.00 C ATOM 1641 CG LYS A1018 2.428 22.433 1.932 1.00 0.00 C ATOM 1642 CD LYS A1018 3.035 23.433 0.945 1.00 0.00 C ATOM 1643 CE LYS A1018 2.843 22.963 -0.499 1.00 0.00 C ATOM 1644 NZ LYS A1018 3.330 23.990 -1.447 1.00 0.00 N ATOM 0 H LYS A1018 -0.464 24.342 3.590 1.00 0.00 H new ATOM 0 HA LYS A1018 0.085 21.851 2.400 1.00 0.00 H new ATOM 0 HB2 LYS A1018 1.407 24.173 2.696 1.00 0.00 H new ATOM 0 HB3 LYS A1018 2.213 23.222 3.928 1.00 0.00 H new ATOM 0 HG2 LYS A1018 3.221 21.845 2.394 1.00 0.00 H new ATOM 0 HG3 LYS A1018 1.784 21.735 1.398 1.00 0.00 H new ATOM 0 HD2 LYS A1018 2.569 24.409 1.078 1.00 0.00 H new ATOM 0 HD3 LYS A1018 4.098 23.556 1.153 1.00 0.00 H new ATOM 0 HE2 LYS A1018 3.381 22.028 -0.658 1.00 0.00 H new ATOM 0 HE3 LYS A1018 1.788 22.759 -0.684 1.00 0.00 H new ATOM 0 HZ1 LYS A1018 2.581 24.211 -2.134 1.00 0.00 H new ATOM 0 HZ2 LYS A1018 3.586 24.852 -0.924 1.00 0.00 H new ATOM 0 HZ3 LYS A1018 4.166 23.630 -1.950 1.00 0.00 H new ATOM 1658 N LYS A1019 0.288 21.926 5.663 1.00 0.00 N ATOM 1659 CA LYS A1019 0.364 21.086 6.847 1.00 0.00 C ATOM 1660 C LYS A1019 -0.705 19.995 6.761 1.00 0.00 C ATOM 1661 O LYS A1019 -0.413 18.818 6.963 1.00 0.00 O ATOM 1662 CB LYS A1019 0.273 21.938 8.115 1.00 0.00 C ATOM 1663 CG LYS A1019 1.549 21.814 8.950 1.00 0.00 C ATOM 1664 CD LYS A1019 2.578 22.869 8.539 1.00 0.00 C ATOM 1665 CE LYS A1019 3.306 22.455 7.258 1.00 0.00 C ATOM 1666 NZ LYS A1019 4.283 21.380 7.541 1.00 0.00 N ATOM 0 H LYS A1019 0.134 22.916 5.852 1.00 0.00 H new ATOM 0 HA LYS A1019 1.330 20.584 6.897 1.00 0.00 H new ATOM 0 HB2 LYS A1019 0.110 22.982 7.846 1.00 0.00 H new ATOM 0 HB3 LYS A1019 -0.586 21.624 8.708 1.00 0.00 H new ATOM 0 HG2 LYS A1019 1.309 21.928 10.007 1.00 0.00 H new ATOM 0 HG3 LYS A1019 1.974 20.818 8.825 1.00 0.00 H new ATOM 0 HD2 LYS A1019 2.081 23.827 8.386 1.00 0.00 H new ATOM 0 HD3 LYS A1019 3.301 23.010 9.343 1.00 0.00 H new ATOM 0 HE2 LYS A1019 2.584 22.112 6.517 1.00 0.00 H new ATOM 0 HE3 LYS A1019 3.818 23.316 6.829 1.00 0.00 H new ATOM 0 HZ1 LYS A1019 4.948 21.298 6.746 1.00 0.00 H new ATOM 0 HZ2 LYS A1019 4.808 21.608 8.410 1.00 0.00 H new ATOM 0 HZ3 LYS A1019 3.780 20.478 7.667 1.00 0.00 H new ATOM 1680 N GLN A1020 -1.922 20.426 6.462 1.00 0.00 N ATOM 1681 CA GLN A1020 -3.036 19.500 6.347 1.00 0.00 C ATOM 1682 C GLN A1020 -2.614 18.255 5.564 1.00 0.00 C ATOM 1683 O GLN A1020 -2.826 17.131 6.016 1.00 0.00 O ATOM 1684 CB GLN A1020 -4.245 20.174 5.695 1.00 0.00 C ATOM 1685 CG GLN A1020 -4.804 21.282 6.590 1.00 0.00 C ATOM 1686 CD GLN A1020 -5.506 20.693 7.816 1.00 0.00 C ATOM 1687 OE1 GLN A1020 -5.505 19.495 8.049 1.00 0.00 O ATOM 1688 NE2 GLN A1020 -6.104 21.599 8.584 1.00 0.00 N ATOM 0 H GLN A1020 -2.161 21.404 6.296 1.00 0.00 H new ATOM 0 HA GLN A1020 -3.331 19.192 7.350 1.00 0.00 H new ATOM 0 HB2 GLN A1020 -3.957 20.592 4.730 1.00 0.00 H new ATOM 0 HB3 GLN A1020 -5.020 19.432 5.502 1.00 0.00 H new ATOM 0 HG2 GLN A1020 -3.995 21.939 6.910 1.00 0.00 H new ATOM 0 HG3 GLN A1020 -5.506 21.893 6.023 1.00 0.00 H new ATOM 0 HE21 GLN A1020 -6.066 22.586 8.331 1.00 0.00 H new ATOM 0 HE22 GLN A1020 -6.600 21.306 9.426 1.00 0.00 H new ATOM 1697 N MET A1021 -2.024 18.498 4.402 1.00 0.00 N ATOM 1698 CA MET A1021 -1.570 17.411 3.552 1.00 0.00 C ATOM 1699 C MET A1021 -0.709 16.421 4.340 1.00 0.00 C ATOM 1700 O MET A1021 -0.918 15.212 4.262 1.00 0.00 O ATOM 1701 CB MET A1021 -0.757 17.979 2.387 1.00 0.00 C ATOM 1702 CG MET A1021 -1.275 17.449 1.048 1.00 0.00 C ATOM 1703 SD MET A1021 -0.887 15.714 0.887 1.00 0.00 S ATOM 1704 CE MET A1021 0.871 15.760 1.192 1.00 0.00 C ATOM 0 H MET A1021 -1.850 19.432 4.030 1.00 0.00 H new ATOM 0 HA MET A1021 -2.444 16.882 3.173 1.00 0.00 H new ATOM 0 HB2 MET A1021 -0.812 19.068 2.397 1.00 0.00 H new ATOM 0 HB3 MET A1021 0.293 17.711 2.507 1.00 0.00 H new ATOM 0 HG2 MET A1021 -2.353 17.597 0.981 1.00 0.00 H new ATOM 0 HG3 MET A1021 -0.825 18.008 0.228 1.00 0.00 H new ATOM 0 HE1 MET A1021 1.328 14.841 0.825 1.00 0.00 H new ATOM 0 HE2 MET A1021 1.308 16.614 0.675 1.00 0.00 H new ATOM 0 HE3 MET A1021 1.052 15.852 2.263 1.00 0.00 H new ATOM 1714 N LEU A1022 0.241 16.972 5.081 1.00 0.00 N ATOM 1715 CA LEU A1022 1.135 16.153 5.882 1.00 0.00 C ATOM 1716 C LEU A1022 0.309 15.170 6.715 1.00 0.00 C ATOM 1717 O LEU A1022 0.609 13.978 6.753 1.00 0.00 O ATOM 1718 CB LEU A1022 2.067 17.034 6.716 1.00 0.00 C ATOM 1719 CG LEU A1022 3.052 16.297 7.625 1.00 0.00 C ATOM 1720 CD1 LEU A1022 2.312 15.435 8.650 1.00 0.00 C ATOM 1721 CD2 LEU A1022 4.050 15.479 6.803 1.00 0.00 C ATOM 0 H LEU A1022 0.411 17.976 5.144 1.00 0.00 H new ATOM 0 HA LEU A1022 1.786 15.560 5.240 1.00 0.00 H new ATOM 0 HB2 LEU A1022 2.636 17.671 6.038 1.00 0.00 H new ATOM 0 HB3 LEU A1022 1.456 17.692 7.334 1.00 0.00 H new ATOM 0 HG LEU A1022 3.625 17.039 8.181 1.00 0.00 H new ATOM 0 HD11 LEU A1022 3.035 14.922 9.284 1.00 0.00 H new ATOM 0 HD12 LEU A1022 1.675 16.069 9.267 1.00 0.00 H new ATOM 0 HD13 LEU A1022 1.698 14.699 8.131 1.00 0.00 H new ATOM 0 HD21 LEU A1022 4.739 14.965 7.473 1.00 0.00 H new ATOM 0 HD22 LEU A1022 3.512 14.745 6.203 1.00 0.00 H new ATOM 0 HD23 LEU A1022 4.611 16.143 6.146 1.00 0.00 H new ATOM 1733 N THR A1023 -0.715 15.707 7.362 1.00 0.00 N ATOM 1734 CA THR A1023 -1.586 14.893 8.192 1.00 0.00 C ATOM 1735 C THR A1023 -1.962 13.601 7.464 1.00 0.00 C ATOM 1736 O THR A1023 -1.754 12.507 7.986 1.00 0.00 O ATOM 1737 CB THR A1023 -2.796 15.743 8.585 1.00 0.00 C ATOM 1738 OG1 THR A1023 -2.239 17.019 8.890 1.00 0.00 O ATOM 1739 CG2 THR A1023 -3.429 15.289 9.901 1.00 0.00 C ATOM 0 H THR A1023 -0.961 16.696 7.328 1.00 0.00 H new ATOM 0 HA THR A1023 -1.081 14.579 9.106 1.00 0.00 H new ATOM 0 HB THR A1023 -3.542 15.701 7.791 1.00 0.00 H new ATOM 0 HG1 THR A1023 -2.955 17.634 9.153 1.00 0.00 H new ATOM 0 HG21 THR A1023 -4.283 15.926 10.133 1.00 0.00 H new ATOM 0 HG22 THR A1023 -3.762 14.255 9.807 1.00 0.00 H new ATOM 0 HG23 THR A1023 -2.694 15.362 10.703 1.00 0.00 H new ATOM 1747 N ALA A1024 -2.509 13.771 6.269 1.00 0.00 N ATOM 1748 CA ALA A1024 -2.916 12.632 5.463 1.00 0.00 C ATOM 1749 C ALA A1024 -1.707 11.726 5.222 1.00 0.00 C ATOM 1750 O ALA A1024 -1.811 10.505 5.329 1.00 0.00 O ATOM 1751 CB ALA A1024 -3.543 13.128 4.159 1.00 0.00 C ATOM 0 H ALA A1024 -2.680 14.680 5.839 1.00 0.00 H new ATOM 0 HA ALA A1024 -3.671 12.043 5.984 1.00 0.00 H new ATOM 0 HB1 ALA A1024 -3.848 12.274 3.554 1.00 0.00 H new ATOM 0 HB2 ALA A1024 -4.414 13.743 4.385 1.00 0.00 H new ATOM 0 HB3 ALA A1024 -2.814 13.721 3.607 1.00 0.00 H new ATOM 1757 N ALA A1025 -0.588 12.359 4.899 1.00 0.00 N ATOM 1758 CA ALA A1025 0.639 11.625 4.642 1.00 0.00 C ATOM 1759 C ALA A1025 0.882 10.631 5.779 1.00 0.00 C ATOM 1760 O ALA A1025 1.405 9.541 5.554 1.00 0.00 O ATOM 1761 CB ALA A1025 1.797 12.610 4.470 1.00 0.00 C ATOM 0 H ALA A1025 -0.506 13.372 4.810 1.00 0.00 H new ATOM 0 HA ALA A1025 0.558 11.054 3.717 1.00 0.00 H new ATOM 0 HB1 ALA A1025 2.718 12.059 4.277 1.00 0.00 H new ATOM 0 HB2 ALA A1025 1.589 13.274 3.631 1.00 0.00 H new ATOM 0 HB3 ALA A1025 1.911 13.200 5.379 1.00 0.00 H new ATOM 1767 N HIS A1026 0.491 11.043 6.976 1.00 0.00 N ATOM 1768 CA HIS A1026 0.660 10.203 8.149 1.00 0.00 C ATOM 1769 C HIS A1026 -0.217 8.956 8.018 1.00 0.00 C ATOM 1770 O HIS A1026 0.284 7.834 8.054 1.00 0.00 O ATOM 1771 CB HIS A1026 0.380 10.994 9.429 1.00 0.00 C ATOM 1772 CG HIS A1026 1.293 10.643 10.580 1.00 0.00 C ATOM 1773 ND1 HIS A1026 2.672 10.619 10.462 1.00 0.00 N ATOM 1774 CD2 HIS A1026 1.011 10.304 11.870 1.00 0.00 C ATOM 1775 CE1 HIS A1026 3.186 10.279 11.635 1.00 0.00 C ATOM 1776 NE2 HIS A1026 2.154 10.084 12.506 1.00 0.00 N ATOM 0 H HIS A1026 0.057 11.948 7.159 1.00 0.00 H new ATOM 0 HA HIS A1026 1.696 9.870 8.216 1.00 0.00 H new ATOM 0 HB2 HIS A1026 0.476 12.058 9.214 1.00 0.00 H new ATOM 0 HB3 HIS A1026 -0.653 10.821 9.732 1.00 0.00 H new ATOM 0 HD2 HIS A1026 0.024 10.228 12.301 1.00 0.00 H new ATOM 0 HE1 HIS A1026 4.237 10.175 11.862 1.00 0.00 H new ATOM 0 HE2 HIS A1026 2.246 9.814 13.485 1.00 0.00 H new ATOM 1784 N ALA A1027 -1.511 9.196 7.870 1.00 0.00 N ATOM 1785 CA ALA A1027 -2.463 8.107 7.733 1.00 0.00 C ATOM 1786 C ALA A1027 -2.153 7.320 6.458 1.00 0.00 C ATOM 1787 O ALA A1027 -2.332 6.104 6.415 1.00 0.00 O ATOM 1788 CB ALA A1027 -3.886 8.668 7.740 1.00 0.00 C ATOM 0 H ALA A1027 -1.923 10.129 7.842 1.00 0.00 H new ATOM 0 HA ALA A1027 -2.380 7.418 8.574 1.00 0.00 H new ATOM 0 HB1 ALA A1027 -4.600 7.851 7.637 1.00 0.00 H new ATOM 0 HB2 ALA A1027 -4.066 9.191 8.679 1.00 0.00 H new ATOM 0 HB3 ALA A1027 -4.007 9.362 6.909 1.00 0.00 H new ATOM 1794 N LEU A1028 -1.693 8.047 5.450 1.00 0.00 N ATOM 1795 CA LEU A1028 -1.355 7.433 4.177 1.00 0.00 C ATOM 1796 C LEU A1028 -0.346 6.307 4.411 1.00 0.00 C ATOM 1797 O LEU A1028 -0.656 5.136 4.199 1.00 0.00 O ATOM 1798 CB LEU A1028 -0.877 8.492 3.182 1.00 0.00 C ATOM 1799 CG LEU A1028 -1.945 9.066 2.249 1.00 0.00 C ATOM 1800 CD1 LEU A1028 -1.306 9.844 1.097 1.00 0.00 C ATOM 1801 CD2 LEU A1028 -2.884 7.968 1.748 1.00 0.00 C ATOM 0 H LEU A1028 -1.546 9.056 5.489 1.00 0.00 H new ATOM 0 HA LEU A1028 -2.238 6.981 3.725 1.00 0.00 H new ATOM 0 HB2 LEU A1028 -0.433 9.314 3.743 1.00 0.00 H new ATOM 0 HB3 LEU A1028 -0.085 8.058 2.572 1.00 0.00 H new ATOM 0 HG LEU A1028 -2.551 9.772 2.817 1.00 0.00 H new ATOM 0 HD11 LEU A1028 -2.087 10.241 0.449 1.00 0.00 H new ATOM 0 HD12 LEU A1028 -0.714 10.667 1.498 1.00 0.00 H new ATOM 0 HD13 LEU A1028 -0.661 9.179 0.522 1.00 0.00 H new ATOM 0 HD21 LEU A1028 -3.633 8.404 1.087 1.00 0.00 H new ATOM 0 HD22 LEU A1028 -2.310 7.219 1.202 1.00 0.00 H new ATOM 0 HD23 LEU A1028 -3.379 7.497 2.597 1.00 0.00 H new ATOM 1813 N ALA A1029 0.843 6.702 4.844 1.00 0.00 N ATOM 1814 CA ALA A1029 1.900 5.741 5.108 1.00 0.00 C ATOM 1815 C ALA A1029 1.299 4.497 5.766 1.00 0.00 C ATOM 1816 O ALA A1029 1.644 3.372 5.405 1.00 0.00 O ATOM 1817 CB ALA A1029 2.979 6.394 5.974 1.00 0.00 C ATOM 0 H ALA A1029 1.097 7.674 5.018 1.00 0.00 H new ATOM 0 HA ALA A1029 2.374 5.427 4.178 1.00 0.00 H new ATOM 0 HB1 ALA A1029 3.772 5.673 6.172 1.00 0.00 H new ATOM 0 HB2 ALA A1029 3.394 7.255 5.450 1.00 0.00 H new ATOM 0 HB3 ALA A1029 2.541 6.720 6.917 1.00 0.00 H new ATOM 1823 N VAL A1030 0.411 4.740 6.718 1.00 0.00 N ATOM 1824 CA VAL A1030 -0.240 3.653 7.429 1.00 0.00 C ATOM 1825 C VAL A1030 -1.175 2.911 6.472 1.00 0.00 C ATOM 1826 O VAL A1030 -1.110 1.688 6.358 1.00 0.00 O ATOM 1827 CB VAL A1030 -0.959 4.194 8.667 1.00 0.00 C ATOM 1828 CG1 VAL A1030 -2.055 3.232 9.129 1.00 0.00 C ATOM 1829 CG2 VAL A1030 0.033 4.478 9.797 1.00 0.00 C ATOM 0 H VAL A1030 0.127 5.674 7.014 1.00 0.00 H new ATOM 0 HA VAL A1030 0.498 2.934 7.786 1.00 0.00 H new ATOM 0 HB VAL A1030 -1.434 5.136 8.393 1.00 0.00 H new ATOM 0 HG11 VAL A1030 -2.550 3.640 10.010 1.00 0.00 H new ATOM 0 HG12 VAL A1030 -2.785 3.102 8.330 1.00 0.00 H new ATOM 0 HG13 VAL A1030 -1.612 2.267 9.376 1.00 0.00 H new ATOM 0 HG21 VAL A1030 -0.504 4.861 10.665 1.00 0.00 H new ATOM 0 HG22 VAL A1030 0.550 3.557 10.068 1.00 0.00 H new ATOM 0 HG23 VAL A1030 0.761 5.218 9.465 1.00 0.00 H new ATOM 1839 N ASP A1031 -2.023 3.683 5.807 1.00 0.00 N ATOM 1840 CA ASP A1031 -2.970 3.114 4.863 1.00 0.00 C ATOM 1841 C ASP A1031 -2.244 2.116 3.958 1.00 0.00 C ATOM 1842 O ASP A1031 -2.679 0.974 3.813 1.00 0.00 O ATOM 1843 CB ASP A1031 -3.582 4.199 3.975 1.00 0.00 C ATOM 1844 CG ASP A1031 -4.721 4.993 4.617 1.00 0.00 C ATOM 1845 OD1 ASP A1031 -5.058 4.667 5.776 1.00 0.00 O ATOM 1846 OD2 ASP A1031 -5.230 5.909 3.935 1.00 0.00 O ATOM 0 H ASP A1031 -2.074 4.697 5.903 1.00 0.00 H new ATOM 0 HA ASP A1031 -3.761 2.625 5.432 1.00 0.00 H new ATOM 0 HB2 ASP A1031 -2.795 4.894 3.682 1.00 0.00 H new ATOM 0 HB3 ASP A1031 -3.953 3.734 3.062 1.00 0.00 H new ATOM 1851 N ALA A1032 -1.151 2.583 3.373 1.00 0.00 N ATOM 1852 CA ALA A1032 -0.361 1.746 2.487 1.00 0.00 C ATOM 1853 C ALA A1032 0.147 0.528 3.260 1.00 0.00 C ATOM 1854 O ALA A1032 0.257 -0.564 2.704 1.00 0.00 O ATOM 1855 CB ALA A1032 0.778 2.571 1.886 1.00 0.00 C ATOM 0 H ALA A1032 -0.794 3.531 3.495 1.00 0.00 H new ATOM 0 HA ALA A1032 -0.971 1.381 1.661 1.00 0.00 H new ATOM 0 HB1 ALA A1032 1.371 1.943 1.221 1.00 0.00 H new ATOM 0 HB2 ALA A1032 0.364 3.407 1.322 1.00 0.00 H new ATOM 0 HB3 ALA A1032 1.412 2.952 2.686 1.00 0.00 H new ATOM 1861 N LYS A1033 0.442 0.755 4.532 1.00 0.00 N ATOM 1862 CA LYS A1033 0.936 -0.310 5.388 1.00 0.00 C ATOM 1863 C LYS A1033 -0.181 -1.330 5.620 1.00 0.00 C ATOM 1864 O LYS A1033 -0.018 -2.513 5.322 1.00 0.00 O ATOM 1865 CB LYS A1033 1.520 0.267 6.679 1.00 0.00 C ATOM 1866 CG LYS A1033 2.894 0.890 6.428 1.00 0.00 C ATOM 1867 CD LYS A1033 3.996 -0.170 6.483 1.00 0.00 C ATOM 1868 CE LYS A1033 5.381 0.479 6.500 1.00 0.00 C ATOM 1869 NZ LYS A1033 6.327 -0.296 5.666 1.00 0.00 N ATOM 0 H LYS A1033 0.348 1.661 4.990 1.00 0.00 H new ATOM 0 HA LYS A1033 1.757 -0.839 4.904 1.00 0.00 H new ATOM 0 HB2 LYS A1033 0.844 1.020 7.084 1.00 0.00 H new ATOM 0 HB3 LYS A1033 1.605 -0.521 7.428 1.00 0.00 H new ATOM 0 HG2 LYS A1033 2.903 1.379 5.454 1.00 0.00 H new ATOM 0 HG3 LYS A1033 3.089 1.661 7.173 1.00 0.00 H new ATOM 0 HD2 LYS A1033 3.868 -0.786 7.373 1.00 0.00 H new ATOM 0 HD3 LYS A1033 3.912 -0.832 5.622 1.00 0.00 H new ATOM 0 HE2 LYS A1033 5.314 1.502 6.130 1.00 0.00 H new ATOM 0 HE3 LYS A1033 5.751 0.534 7.524 1.00 0.00 H new ATOM 0 HZ1 LYS A1033 7.262 0.158 5.689 1.00 0.00 H new ATOM 0 HZ2 LYS A1033 6.404 -1.265 6.037 1.00 0.00 H new ATOM 0 HZ3 LYS A1033 5.981 -0.327 4.686 1.00 0.00 H new ATOM 1883 N ASN A1034 -1.290 -0.836 6.151 1.00 0.00 N ATOM 1884 CA ASN A1034 -2.433 -1.690 6.426 1.00 0.00 C ATOM 1885 C ASN A1034 -2.756 -2.519 5.182 1.00 0.00 C ATOM 1886 O ASN A1034 -3.365 -3.583 5.282 1.00 0.00 O ATOM 1887 CB ASN A1034 -3.669 -0.859 6.776 1.00 0.00 C ATOM 1888 CG ASN A1034 -4.450 -1.496 7.927 1.00 0.00 C ATOM 1889 OD1 ASN A1034 -3.962 -2.357 8.641 1.00 0.00 O ATOM 1890 ND2 ASN A1034 -5.685 -1.025 8.068 1.00 0.00 N ATOM 0 H ASN A1034 -1.421 0.145 6.398 1.00 0.00 H new ATOM 0 HA ASN A1034 -2.180 -2.332 7.270 1.00 0.00 H new ATOM 0 HB2 ASN A1034 -3.366 0.151 7.052 1.00 0.00 H new ATOM 0 HB3 ASN A1034 -4.312 -0.771 5.900 1.00 0.00 H new ATOM 0 HD21 ASN A1034 -6.287 -1.385 8.809 1.00 0.00 H new ATOM 0 HD22 ASN A1034 -6.031 -0.304 7.435 1.00 0.00 H new ATOM 1897 N LEU A1035 -2.335 -2.000 4.038 1.00 0.00 N ATOM 1898 CA LEU A1035 -2.572 -2.679 2.776 1.00 0.00 C ATOM 1899 C LEU A1035 -1.806 -4.003 2.762 1.00 0.00 C ATOM 1900 O LEU A1035 -2.410 -5.075 2.769 1.00 0.00 O ATOM 1901 CB LEU A1035 -2.233 -1.760 1.601 1.00 0.00 C ATOM 1902 CG LEU A1035 -3.399 -1.386 0.683 1.00 0.00 C ATOM 1903 CD1 LEU A1035 -4.019 -2.633 0.049 1.00 0.00 C ATOM 1904 CD2 LEU A1035 -4.437 -0.546 1.430 1.00 0.00 C ATOM 0 H LEU A1035 -1.831 -1.117 3.959 1.00 0.00 H new ATOM 0 HA LEU A1035 -3.629 -2.921 2.667 1.00 0.00 H new ATOM 0 HB2 LEU A1035 -1.800 -0.842 1.997 1.00 0.00 H new ATOM 0 HB3 LEU A1035 -1.463 -2.242 0.999 1.00 0.00 H new ATOM 0 HG LEU A1035 -3.011 -0.771 -0.129 1.00 0.00 H new ATOM 0 HD11 LEU A1035 -4.845 -2.339 -0.599 1.00 0.00 H new ATOM 0 HD12 LEU A1035 -3.265 -3.155 -0.539 1.00 0.00 H new ATOM 0 HD13 LEU A1035 -4.389 -3.294 0.833 1.00 0.00 H new ATOM 0 HD21 LEU A1035 -5.255 -0.294 0.755 1.00 0.00 H new ATOM 0 HD22 LEU A1035 -4.826 -1.115 2.275 1.00 0.00 H new ATOM 0 HD23 LEU A1035 -3.971 0.370 1.793 1.00 0.00 H new ATOM 1916 N LEU A1036 -0.486 -3.887 2.742 1.00 0.00 N ATOM 1917 CA LEU A1036 0.369 -5.061 2.727 1.00 0.00 C ATOM 1918 C LEU A1036 0.267 -5.778 4.075 1.00 0.00 C ATOM 1919 O LEU A1036 0.209 -7.006 4.126 1.00 0.00 O ATOM 1920 CB LEU A1036 1.799 -4.678 2.342 1.00 0.00 C ATOM 1921 CG LEU A1036 2.474 -5.569 1.297 1.00 0.00 C ATOM 1922 CD1 LEU A1036 2.292 -4.999 -0.111 1.00 0.00 C ATOM 1923 CD2 LEU A1036 3.949 -5.793 1.638 1.00 0.00 C ATOM 0 H LEU A1036 0.012 -2.997 2.736 1.00 0.00 H new ATOM 0 HA LEU A1036 0.036 -5.765 1.964 1.00 0.00 H new ATOM 0 HB2 LEU A1036 1.791 -3.654 1.967 1.00 0.00 H new ATOM 0 HB3 LEU A1036 2.411 -4.683 3.244 1.00 0.00 H new ATOM 0 HG LEU A1036 1.987 -6.544 1.315 1.00 0.00 H new ATOM 0 HD11 LEU A1036 2.781 -5.652 -0.834 1.00 0.00 H new ATOM 0 HD12 LEU A1036 1.229 -4.934 -0.343 1.00 0.00 H new ATOM 0 HD13 LEU A1036 2.736 -4.005 -0.161 1.00 0.00 H new ATOM 0 HD21 LEU A1036 4.405 -6.429 0.880 1.00 0.00 H new ATOM 0 HD22 LEU A1036 4.466 -4.834 1.665 1.00 0.00 H new ATOM 0 HD23 LEU A1036 4.028 -6.276 2.612 1.00 0.00 H new ATOM 1935 N ASP A1037 0.247 -4.981 5.133 1.00 0.00 N ATOM 1936 CA ASP A1037 0.153 -5.524 6.478 1.00 0.00 C ATOM 1937 C ASP A1037 -0.788 -6.731 6.471 1.00 0.00 C ATOM 1938 O ASP A1037 -0.425 -7.809 6.939 1.00 0.00 O ATOM 1939 CB ASP A1037 -0.413 -4.489 7.452 1.00 0.00 C ATOM 1940 CG ASP A1037 -0.288 -4.858 8.931 1.00 0.00 C ATOM 1941 OD1 ASP A1037 0.051 -6.031 9.197 1.00 0.00 O ATOM 1942 OD2 ASP A1037 -0.536 -3.958 9.763 1.00 0.00 O ATOM 0 H ASP A1037 0.294 -3.963 5.086 1.00 0.00 H new ATOM 0 HA ASP A1037 1.155 -5.809 6.797 1.00 0.00 H new ATOM 0 HB2 ASP A1037 0.095 -3.539 7.286 1.00 0.00 H new ATOM 0 HB3 ASP A1037 -1.466 -4.332 7.220 1.00 0.00 H new ATOM 1947 N VAL A1038 -1.979 -6.509 5.934 1.00 0.00 N ATOM 1948 CA VAL A1038 -2.975 -7.564 5.860 1.00 0.00 C ATOM 1949 C VAL A1038 -2.440 -8.704 4.990 1.00 0.00 C ATOM 1950 O VAL A1038 -2.498 -9.868 5.383 1.00 0.00 O ATOM 1951 CB VAL A1038 -4.302 -6.997 5.353 1.00 0.00 C ATOM 1952 CG1 VAL A1038 -4.479 -7.270 3.858 1.00 0.00 C ATOM 1953 CG2 VAL A1038 -5.479 -7.554 6.155 1.00 0.00 C ATOM 0 H VAL A1038 -2.276 -5.614 5.546 1.00 0.00 H new ATOM 0 HA VAL A1038 -3.170 -7.975 6.851 1.00 0.00 H new ATOM 0 HB VAL A1038 -4.281 -5.917 5.496 1.00 0.00 H new ATOM 0 HG11 VAL A1038 -5.430 -6.857 3.523 1.00 0.00 H new ATOM 0 HG12 VAL A1038 -3.665 -6.803 3.304 1.00 0.00 H new ATOM 0 HG13 VAL A1038 -4.468 -8.345 3.681 1.00 0.00 H new ATOM 0 HG21 VAL A1038 -6.410 -7.135 5.774 1.00 0.00 H new ATOM 0 HG22 VAL A1038 -5.504 -8.639 6.059 1.00 0.00 H new ATOM 0 HG23 VAL A1038 -5.363 -7.286 7.205 1.00 0.00 H new ATOM 1963 N ILE A1039 -1.933 -8.328 3.826 1.00 0.00 N ATOM 1964 CA ILE A1039 -1.388 -9.304 2.897 1.00 0.00 C ATOM 1965 C ILE A1039 -0.331 -10.148 3.612 1.00 0.00 C ATOM 1966 O ILE A1039 -0.317 -11.371 3.484 1.00 0.00 O ATOM 1967 CB ILE A1039 -0.872 -8.612 1.634 1.00 0.00 C ATOM 1968 CG1 ILE A1039 -2.005 -8.384 0.632 1.00 0.00 C ATOM 1969 CG2 ILE A1039 0.291 -9.393 1.018 1.00 0.00 C ATOM 1970 CD1 ILE A1039 -1.705 -7.185 -0.271 1.00 0.00 C ATOM 0 H ILE A1039 -1.888 -7.361 3.504 1.00 0.00 H new ATOM 0 HA ILE A1039 -2.168 -9.987 2.562 1.00 0.00 H new ATOM 0 HB ILE A1039 -0.488 -7.631 1.914 1.00 0.00 H new ATOM 0 HG12 ILE A1039 -2.142 -9.277 0.023 1.00 0.00 H new ATOM 0 HG13 ILE A1039 -2.940 -8.216 1.167 1.00 0.00 H new ATOM 0 HG21 ILE A1039 0.639 -8.880 0.122 1.00 0.00 H new ATOM 0 HG22 ILE A1039 1.107 -9.460 1.738 1.00 0.00 H new ATOM 0 HG23 ILE A1039 -0.043 -10.397 0.755 1.00 0.00 H new ATOM 0 HD11 ILE A1039 -2.526 -7.045 -0.974 1.00 0.00 H new ATOM 0 HD12 ILE A1039 -1.593 -6.289 0.339 1.00 0.00 H new ATOM 0 HD13 ILE A1039 -0.782 -7.366 -0.822 1.00 0.00 H new ATOM 1982 N ASP A1040 0.528 -9.461 4.350 1.00 0.00 N ATOM 1983 CA ASP A1040 1.587 -10.132 5.086 1.00 0.00 C ATOM 1984 C ASP A1040 0.982 -11.258 5.927 1.00 0.00 C ATOM 1985 O ASP A1040 1.590 -12.316 6.082 1.00 0.00 O ATOM 1986 CB ASP A1040 2.298 -9.163 6.033 1.00 0.00 C ATOM 1987 CG ASP A1040 3.704 -8.748 5.597 1.00 0.00 C ATOM 1988 OD1 ASP A1040 4.575 -9.644 5.558 1.00 0.00 O ATOM 1989 OD2 ASP A1040 3.877 -7.543 5.312 1.00 0.00 O ATOM 0 H ASP A1040 0.513 -8.446 4.454 1.00 0.00 H new ATOM 0 HA ASP A1040 2.305 -10.523 4.365 1.00 0.00 H new ATOM 0 HB2 ASP A1040 1.687 -8.267 6.137 1.00 0.00 H new ATOM 0 HB3 ASP A1040 2.361 -9.623 7.019 1.00 0.00 H new ATOM 1994 N GLN A1041 -0.206 -10.991 6.449 1.00 0.00 N ATOM 1995 CA GLN A1041 -0.899 -11.969 7.271 1.00 0.00 C ATOM 1996 C GLN A1041 -1.379 -13.140 6.411 1.00 0.00 C ATOM 1997 O GLN A1041 -1.588 -14.241 6.917 1.00 0.00 O ATOM 1998 CB GLN A1041 -2.067 -11.325 8.021 1.00 0.00 C ATOM 1999 CG GLN A1041 -1.819 -11.332 9.530 1.00 0.00 C ATOM 2000 CD GLN A1041 -2.758 -10.357 10.245 1.00 0.00 C ATOM 2001 OE1 GLN A1041 -2.393 -9.247 10.595 1.00 0.00 O ATOM 2002 NE2 GLN A1041 -3.985 -10.833 10.440 1.00 0.00 N ATOM 0 H GLN A1041 -0.706 -10.112 6.319 1.00 0.00 H new ATOM 0 HA GLN A1041 -0.199 -12.352 8.014 1.00 0.00 H new ATOM 0 HB2 GLN A1041 -2.205 -10.300 7.676 1.00 0.00 H new ATOM 0 HB3 GLN A1041 -2.988 -11.863 7.798 1.00 0.00 H new ATOM 0 HG2 GLN A1041 -1.967 -12.338 9.922 1.00 0.00 H new ATOM 0 HG3 GLN A1041 -0.783 -11.060 9.733 1.00 0.00 H new ATOM 0 HE21 GLN A1041 -4.224 -11.772 10.122 1.00 0.00 H new ATOM 0 HE22 GLN A1041 -4.686 -10.259 10.908 1.00 0.00 H new ATOM 2011 N ALA A1042 -1.539 -12.863 5.125 1.00 0.00 N ATOM 2012 CA ALA A1042 -1.989 -13.880 4.191 1.00 0.00 C ATOM 2013 C ALA A1042 -0.795 -14.729 3.753 1.00 0.00 C ATOM 2014 O ALA A1042 -0.803 -15.949 3.916 1.00 0.00 O ATOM 2015 CB ALA A1042 -2.693 -13.211 3.008 1.00 0.00 C ATOM 0 H ALA A1042 -1.365 -11.948 4.708 1.00 0.00 H new ATOM 0 HA ALA A1042 -2.710 -14.545 4.667 1.00 0.00 H new ATOM 0 HB1 ALA A1042 -3.031 -13.974 2.307 1.00 0.00 H new ATOM 0 HB2 ALA A1042 -3.551 -12.644 3.369 1.00 0.00 H new ATOM 0 HB3 ALA A1042 -1.999 -12.538 2.505 1.00 0.00 H new ATOM 2021 N ARG A1043 0.204 -14.052 3.206 1.00 0.00 N ATOM 2022 CA ARG A1043 1.403 -14.729 2.743 1.00 0.00 C ATOM 2023 C ARG A1043 1.786 -15.850 3.712 1.00 0.00 C ATOM 2024 O ARG A1043 2.063 -16.972 3.290 1.00 0.00 O ATOM 2025 CB ARG A1043 2.574 -13.752 2.617 1.00 0.00 C ATOM 2026 CG ARG A1043 3.709 -14.361 1.791 1.00 0.00 C ATOM 2027 CD ARG A1043 4.808 -13.330 1.526 1.00 0.00 C ATOM 2028 NE ARG A1043 6.131 -13.904 1.856 1.00 0.00 N ATOM 2029 CZ ARG A1043 6.555 -14.145 3.104 1.00 0.00 C ATOM 2030 NH1 ARG A1043 5.763 -13.862 4.147 1.00 0.00 N ATOM 2031 NH2 ARG A1043 7.772 -14.668 3.309 1.00 0.00 N ATOM 0 H ARG A1043 0.207 -13.041 3.073 1.00 0.00 H new ATOM 0 HA ARG A1043 1.188 -15.149 1.761 1.00 0.00 H new ATOM 0 HB2 ARG A1043 2.233 -12.829 2.148 1.00 0.00 H new ATOM 0 HB3 ARG A1043 2.942 -13.489 3.609 1.00 0.00 H new ATOM 0 HG2 ARG A1043 4.128 -15.218 2.319 1.00 0.00 H new ATOM 0 HG3 ARG A1043 3.316 -14.731 0.844 1.00 0.00 H new ATOM 0 HD2 ARG A1043 4.786 -13.024 0.480 1.00 0.00 H new ATOM 0 HD3 ARG A1043 4.631 -12.436 2.124 1.00 0.00 H new ATOM 0 HE ARG A1043 6.760 -14.130 1.085 1.00 0.00 H new ATOM 0 HH11 ARG A1043 4.837 -13.463 3.991 1.00 0.00 H new ATOM 0 HH12 ARG A1043 6.086 -14.045 5.097 1.00 0.00 H new ATOM 0 HH21 ARG A1043 8.375 -14.882 2.515 1.00 0.00 H new ATOM 0 HH22 ARG A1043 8.095 -14.851 4.259 1.00 0.00 H new ATOM 2045 N LEU A1044 1.790 -15.508 4.991 1.00 0.00 N ATOM 2046 CA LEU A1044 2.134 -16.472 6.023 1.00 0.00 C ATOM 2047 C LEU A1044 1.105 -17.604 6.021 1.00 0.00 C ATOM 2048 O LEU A1044 1.470 -18.779 6.043 1.00 0.00 O ATOM 2049 CB LEU A1044 2.281 -15.776 7.378 1.00 0.00 C ATOM 2050 CG LEU A1044 1.065 -14.982 7.860 1.00 0.00 C ATOM 2051 CD1 LEU A1044 0.043 -15.900 8.532 1.00 0.00 C ATOM 2052 CD2 LEU A1044 1.490 -13.830 8.773 1.00 0.00 C ATOM 0 H LEU A1044 1.560 -14.576 5.337 1.00 0.00 H new ATOM 0 HA LEU A1044 3.104 -16.923 5.815 1.00 0.00 H new ATOM 0 HB2 LEU A1044 2.518 -16.531 8.128 1.00 0.00 H new ATOM 0 HB3 LEU A1044 3.134 -15.100 7.326 1.00 0.00 H new ATOM 0 HG LEU A1044 0.578 -14.540 6.991 1.00 0.00 H new ATOM 0 HD11 LEU A1044 -0.811 -15.311 8.865 1.00 0.00 H new ATOM 0 HD12 LEU A1044 -0.292 -16.654 7.820 1.00 0.00 H new ATOM 0 HD13 LEU A1044 0.503 -16.390 9.390 1.00 0.00 H new ATOM 0 HD21 LEU A1044 0.607 -13.282 9.102 1.00 0.00 H new ATOM 0 HD22 LEU A1044 2.014 -14.229 9.642 1.00 0.00 H new ATOM 0 HD23 LEU A1044 2.152 -13.158 8.227 1.00 0.00 H new ATOM 2064 N LYS A1045 -0.160 -17.211 5.996 1.00 0.00 N ATOM 2065 CA LYS A1045 -1.244 -18.178 5.991 1.00 0.00 C ATOM 2066 C LYS A1045 -0.883 -19.338 5.060 1.00 0.00 C ATOM 2067 O LYS A1045 -1.330 -20.465 5.265 1.00 0.00 O ATOM 2068 CB LYS A1045 -2.568 -17.497 5.640 1.00 0.00 C ATOM 2069 CG LYS A1045 -3.741 -18.469 5.787 1.00 0.00 C ATOM 2070 CD LYS A1045 -4.990 -17.749 6.298 1.00 0.00 C ATOM 2071 CE LYS A1045 -6.218 -18.658 6.221 1.00 0.00 C ATOM 2072 NZ LYS A1045 -6.107 -19.761 7.202 1.00 0.00 N ATOM 0 H LYS A1045 -0.458 -16.236 5.979 1.00 0.00 H new ATOM 0 HA LYS A1045 -1.383 -18.599 6.987 1.00 0.00 H new ATOM 0 HB2 LYS A1045 -2.721 -16.636 6.290 1.00 0.00 H new ATOM 0 HB3 LYS A1045 -2.528 -17.122 4.617 1.00 0.00 H new ATOM 0 HG2 LYS A1045 -3.954 -18.935 4.825 1.00 0.00 H new ATOM 0 HG3 LYS A1045 -3.471 -19.269 6.476 1.00 0.00 H new ATOM 0 HD2 LYS A1045 -4.834 -17.430 7.328 1.00 0.00 H new ATOM 0 HD3 LYS A1045 -5.162 -16.849 5.708 1.00 0.00 H new ATOM 0 HE2 LYS A1045 -7.120 -18.078 6.417 1.00 0.00 H new ATOM 0 HE3 LYS A1045 -6.314 -19.066 5.215 1.00 0.00 H new ATOM 0 HZ1 LYS A1045 -6.971 -20.340 7.173 1.00 0.00 H new ATOM 0 HZ2 LYS A1045 -5.285 -20.353 6.967 1.00 0.00 H new ATOM 0 HZ3 LYS A1045 -5.987 -19.366 8.157 1.00 0.00 H new ATOM 2086 N MET A1046 -0.078 -19.020 4.056 1.00 0.00 N ATOM 2087 CA MET A1046 0.348 -20.021 3.093 1.00 0.00 C ATOM 2088 C MET A1046 1.617 -20.732 3.566 1.00 0.00 C ATOM 2089 O MET A1046 1.685 -21.960 3.561 1.00 0.00 O ATOM 2090 CB MET A1046 0.609 -19.352 1.743 1.00 0.00 C ATOM 2091 CG MET A1046 1.573 -20.185 0.895 1.00 0.00 C ATOM 2092 SD MET A1046 1.719 -19.478 -0.737 1.00 0.00 S ATOM 2093 CE MET A1046 2.519 -17.934 -0.335 1.00 0.00 C ATOM 0 H MET A1046 0.290 -18.083 3.889 1.00 0.00 H new ATOM 0 HA MET A1046 -0.445 -20.763 2.993 1.00 0.00 H new ATOM 0 HB2 MET A1046 -0.332 -19.223 1.209 1.00 0.00 H new ATOM 0 HB3 MET A1046 1.025 -18.357 1.901 1.00 0.00 H new ATOM 0 HG2 MET A1046 2.552 -20.222 1.373 1.00 0.00 H new ATOM 0 HG3 MET A1046 1.214 -21.212 0.825 1.00 0.00 H new ATOM 0 HE1 MET A1046 3.000 -17.531 -1.226 1.00 0.00 H new ATOM 0 HE2 MET A1046 1.777 -17.224 0.030 1.00 0.00 H new ATOM 0 HE3 MET A1046 3.269 -18.103 0.437 1.00 0.00 H new ATOM 2103 N ILE A1047 2.593 -19.929 3.964 1.00 0.00 N ATOM 2104 CA ILE A1047 3.857 -20.465 4.439 1.00 0.00 C ATOM 2105 C ILE A1047 3.586 -21.625 5.399 1.00 0.00 C ATOM 2106 O ILE A1047 3.819 -22.784 5.060 1.00 0.00 O ATOM 2107 CB ILE A1047 4.717 -19.354 5.044 1.00 0.00 C ATOM 2108 CG1 ILE A1047 5.458 -18.578 3.953 1.00 0.00 C ATOM 2109 CG2 ILE A1047 5.674 -19.914 6.099 1.00 0.00 C ATOM 2110 CD1 ILE A1047 5.271 -17.070 4.130 1.00 0.00 C ATOM 0 H ILE A1047 2.534 -18.911 3.967 1.00 0.00 H new ATOM 0 HA ILE A1047 4.436 -20.867 3.608 1.00 0.00 H new ATOM 0 HB ILE A1047 4.057 -18.649 5.549 1.00 0.00 H new ATOM 0 HG12 ILE A1047 6.520 -18.823 3.985 1.00 0.00 H new ATOM 0 HG13 ILE A1047 5.090 -18.881 2.973 1.00 0.00 H new ATOM 0 HG21 ILE A1047 6.274 -19.103 6.513 1.00 0.00 H new ATOM 0 HG22 ILE A1047 5.100 -20.385 6.897 1.00 0.00 H new ATOM 0 HG23 ILE A1047 6.331 -20.653 5.639 1.00 0.00 H new ATOM 0 HD11 ILE A1047 5.808 -16.542 3.342 1.00 0.00 H new ATOM 0 HD12 ILE A1047 4.210 -16.826 4.073 1.00 0.00 H new ATOM 0 HD13 ILE A1047 5.662 -16.766 5.101 1.00 0.00 H new