USER MOD reduce.3.24.130724 H: found=0, std=0, add=512, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 513 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 7 MET CE :methyl 175:sc= -1.35 (180deg=-1.42) USER MOD Set 1.2: A 58 LYS NZ :NH3+ 156:sc= 1.35 (180deg=-0.922) USER MOD Single : A 6 LYS NZ :NH3+ -147:sc= 0.386 (180deg=-1!) USER MOD Single : A 8 LYS NZ :NH3+ -122:sc= -1.37 (180deg=-3.77!) USER MOD Single : A 18 THR OG1 : rot -25:sc= 0.686 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ -166:sc=-0.00438 (180deg=-0.127) USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 GLN : amide:sc= 0 X(o=0,f=-0.0091) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 40 ASN : amide:sc= 1.17 K(o=1.2,f=-0.019) USER MOD Single : A 41 GLN : amide:sc= 0 K(o=0,f=-0.64) USER MOD Single : A 44 THR OG1 : rot 180:sc= -0.0017 USER MOD Single : A 47 TYR OH : rot 38:sc= 1.19 USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 57 MET CE :methyl 133:sc= -2.29 (180deg=-5.41!) USER MOD Single : A 59 LYS NZ :NH3+ -118:sc= 1.11 (180deg=-1.25) USER MOD Single : A 60 GLN : amide:sc= 0.383 K(o=0.38,f=-3.2!) USER MOD Single : A 64 MET CE :methyl -173:sc= 0 (180deg=-0.0619) USER MOD ----------------------------------------------------------------- ATOM 25 N VAL A 3 -4.539 7.414 7.704 1.00 0.00 N ATOM 26 CA VAL A 3 -3.195 7.932 7.676 1.00 0.00 C ATOM 27 C VAL A 3 -2.460 7.389 6.464 1.00 0.00 C ATOM 28 O VAL A 3 -2.704 6.265 6.020 1.00 0.00 O ATOM 29 CB VAL A 3 -2.503 7.672 9.011 1.00 0.00 C ATOM 30 CG1 VAL A 3 -1.817 6.321 8.997 1.00 0.00 C ATOM 31 CG2 VAL A 3 -1.485 8.780 9.304 1.00 0.00 C ATOM 0 HA VAL A 3 -3.201 9.016 7.559 1.00 0.00 H new ATOM 0 HB VAL A 3 -3.257 7.670 9.798 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -1.328 6.151 9.956 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -2.556 5.539 8.823 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -1.072 6.299 8.202 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -0.998 8.583 10.259 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -0.736 8.804 8.513 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -1.997 9.741 9.349 1.00 0.00 H new ATOM 41 N VAL A 4 -1.571 8.223 5.935 1.00 0.00 N ATOM 42 CA VAL A 4 -0.756 7.937 4.779 1.00 0.00 C ATOM 43 C VAL A 4 0.407 7.043 5.209 1.00 0.00 C ATOM 44 O VAL A 4 1.064 7.320 6.210 1.00 0.00 O ATOM 45 CB VAL A 4 -0.287 9.272 4.173 1.00 0.00 C ATOM 46 CG1 VAL A 4 0.972 9.102 3.320 1.00 0.00 C ATOM 47 CG2 VAL A 4 -1.418 9.877 3.331 1.00 0.00 C ATOM 0 H VAL A 4 -1.398 9.151 6.321 1.00 0.00 H new ATOM 0 HA VAL A 4 -1.314 7.401 4.011 1.00 0.00 H new ATOM 0 HB VAL A 4 -0.035 9.944 4.993 1.00 0.00 H new ATOM 0 HG11 VAL A 4 1.268 10.068 2.912 1.00 0.00 H new ATOM 0 HG12 VAL A 4 1.779 8.706 3.937 1.00 0.00 H new ATOM 0 HG13 VAL A 4 0.767 8.410 2.503 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -1.086 10.822 2.902 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -1.683 9.188 2.529 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -2.289 10.051 3.963 1.00 0.00 H new ATOM 57 N LEU A 5 0.670 5.997 4.426 1.00 0.00 N ATOM 58 CA LEU A 5 1.823 5.123 4.568 1.00 0.00 C ATOM 59 C LEU A 5 2.480 5.020 3.200 1.00 0.00 C ATOM 60 O LEU A 5 1.795 4.735 2.215 1.00 0.00 O ATOM 61 CB LEU A 5 1.342 3.773 5.112 1.00 0.00 C ATOM 62 CG LEU A 5 2.187 2.512 4.843 1.00 0.00 C ATOM 63 CD1 LEU A 5 2.076 1.997 3.400 1.00 0.00 C ATOM 64 CD2 LEU A 5 3.648 2.625 5.292 1.00 0.00 C ATOM 0 H LEU A 5 0.063 5.730 3.651 1.00 0.00 H new ATOM 0 HA LEU A 5 2.563 5.504 5.272 1.00 0.00 H new ATOM 0 HB2 LEU A 5 1.236 3.873 6.192 1.00 0.00 H new ATOM 0 HB3 LEU A 5 0.345 3.593 4.709 1.00 0.00 H new ATOM 0 HG LEU A 5 1.735 1.756 5.484 1.00 0.00 H new ATOM 0 HD11 LEU A 5 2.696 1.108 3.282 1.00 0.00 H new ATOM 0 HD12 LEU A 5 1.038 1.747 3.182 1.00 0.00 H new ATOM 0 HD13 LEU A 5 2.415 2.770 2.711 1.00 0.00 H new ATOM 0 HD21 LEU A 5 4.171 1.696 5.066 1.00 0.00 H new ATOM 0 HD22 LEU A 5 4.128 3.449 4.764 1.00 0.00 H new ATOM 0 HD23 LEU A 5 3.685 2.811 6.365 1.00 0.00 H new ATOM 76 N LYS A 6 3.798 5.255 3.153 1.00 0.00 N ATOM 77 CA LYS A 6 4.629 5.009 1.982 1.00 0.00 C ATOM 78 C LYS A 6 5.289 3.636 2.086 1.00 0.00 C ATOM 79 O LYS A 6 5.880 3.297 3.112 1.00 0.00 O ATOM 80 CB LYS A 6 5.670 6.120 1.766 1.00 0.00 C ATOM 81 CG LYS A 6 5.034 7.345 1.083 1.00 0.00 C ATOM 82 CD LYS A 6 5.774 7.807 -0.187 1.00 0.00 C ATOM 83 CE LYS A 6 6.896 8.820 0.080 1.00 0.00 C ATOM 84 NZ LYS A 6 8.102 8.191 0.642 1.00 0.00 N ATOM 0 H LYS A 6 4.320 5.628 3.946 1.00 0.00 H new ATOM 0 HA LYS A 6 3.983 5.018 1.104 1.00 0.00 H new ATOM 0 HB2 LYS A 6 6.098 6.414 2.724 1.00 0.00 H new ATOM 0 HB3 LYS A 6 6.489 5.742 1.154 1.00 0.00 H new ATOM 0 HG2 LYS A 6 4.002 7.109 0.824 1.00 0.00 H new ATOM 0 HG3 LYS A 6 5.004 8.170 1.794 1.00 0.00 H new ATOM 0 HD2 LYS A 6 6.196 6.935 -0.687 1.00 0.00 H new ATOM 0 HD3 LYS A 6 5.054 8.251 -0.874 1.00 0.00 H new ATOM 0 HE2 LYS A 6 7.154 9.325 -0.851 1.00 0.00 H new ATOM 0 HE3 LYS A 6 6.535 9.584 0.768 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 8.569 8.855 1.292 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 7.835 7.329 1.160 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 8.756 7.944 -0.128 1.00 0.00 H new ATOM 98 N MET A 7 5.184 2.857 1.010 1.00 0.00 N ATOM 99 CA MET A 7 5.689 1.501 0.904 1.00 0.00 C ATOM 100 C MET A 7 6.483 1.372 -0.394 1.00 0.00 C ATOM 101 O MET A 7 6.119 1.989 -1.393 1.00 0.00 O ATOM 102 CB MET A 7 4.509 0.521 0.947 1.00 0.00 C ATOM 103 CG MET A 7 3.476 0.783 -0.159 1.00 0.00 C ATOM 104 SD MET A 7 2.125 -0.412 -0.195 1.00 0.00 S ATOM 105 CE MET A 7 1.457 -0.187 -1.859 1.00 0.00 C ATOM 0 H MET A 7 4.724 3.173 0.156 1.00 0.00 H new ATOM 0 HA MET A 7 6.353 1.266 1.736 1.00 0.00 H new ATOM 0 HB2 MET A 7 4.885 -0.498 0.852 1.00 0.00 H new ATOM 0 HB3 MET A 7 4.020 0.591 1.919 1.00 0.00 H new ATOM 0 HG2 MET A 7 3.061 1.782 -0.026 1.00 0.00 H new ATOM 0 HG3 MET A 7 3.982 0.774 -1.125 1.00 0.00 H new ATOM 0 HE1 MET A 7 0.677 -0.926 -2.041 1.00 0.00 H new ATOM 0 HE2 MET A 7 1.037 0.815 -1.950 1.00 0.00 H new ATOM 0 HE3 MET A 7 2.254 -0.314 -2.591 1.00 0.00 H new ATOM 115 N LYS A 8 7.535 0.550 -0.391 1.00 0.00 N ATOM 116 CA LYS A 8 8.259 0.203 -1.607 1.00 0.00 C ATOM 117 C LYS A 8 7.508 -0.931 -2.308 1.00 0.00 C ATOM 118 O LYS A 8 6.807 -1.713 -1.651 1.00 0.00 O ATOM 119 CB LYS A 8 9.709 -0.182 -1.268 1.00 0.00 C ATOM 120 CG LYS A 8 10.651 1.037 -1.298 1.00 0.00 C ATOM 121 CD LYS A 8 10.916 1.541 -2.736 1.00 0.00 C ATOM 122 CE LYS A 8 12.394 1.548 -3.161 1.00 0.00 C ATOM 123 NZ LYS A 8 12.976 0.205 -3.025 1.00 0.00 N ATOM 0 H LYS A 8 7.904 0.110 0.452 1.00 0.00 H new ATOM 0 HA LYS A 8 8.310 1.056 -2.283 1.00 0.00 H new ATOM 0 HB2 LYS A 8 9.741 -0.641 -0.280 1.00 0.00 H new ATOM 0 HB3 LYS A 8 10.061 -0.930 -1.978 1.00 0.00 H new ATOM 0 HG2 LYS A 8 10.216 1.843 -0.707 1.00 0.00 H new ATOM 0 HG3 LYS A 8 11.598 0.773 -0.828 1.00 0.00 H new ATOM 0 HD2 LYS A 8 10.356 0.917 -3.432 1.00 0.00 H new ATOM 0 HD3 LYS A 8 10.522 2.553 -2.828 1.00 0.00 H new ATOM 0 HE2 LYS A 8 12.480 1.885 -4.194 1.00 0.00 H new ATOM 0 HE3 LYS A 8 12.951 2.256 -2.548 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 13.793 0.244 -2.383 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 12.262 -0.445 -2.638 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 13.285 -0.136 -3.958 1.00 0.00 H new ATOM 137 N VAL A 9 7.616 -0.987 -3.640 1.00 0.00 N ATOM 138 CA VAL A 9 6.952 -1.985 -4.472 1.00 0.00 C ATOM 139 C VAL A 9 7.969 -2.543 -5.478 1.00 0.00 C ATOM 140 O VAL A 9 7.836 -2.316 -6.680 1.00 0.00 O ATOM 141 CB VAL A 9 5.715 -1.368 -5.168 1.00 0.00 C ATOM 142 CG1 VAL A 9 4.766 -2.481 -5.638 1.00 0.00 C ATOM 143 CG2 VAL A 9 4.927 -0.402 -4.273 1.00 0.00 C ATOM 0 H VAL A 9 8.179 -0.326 -4.176 1.00 0.00 H new ATOM 0 HA VAL A 9 6.587 -2.809 -3.859 1.00 0.00 H new ATOM 0 HB VAL A 9 6.100 -0.795 -6.012 1.00 0.00 H new ATOM 0 HG11 VAL A 9 3.899 -2.037 -6.127 1.00 0.00 H new ATOM 0 HG12 VAL A 9 5.287 -3.130 -6.342 1.00 0.00 H new ATOM 0 HG13 VAL A 9 4.439 -3.067 -4.779 1.00 0.00 H new ATOM 0 HG21 VAL A 9 4.074 -0.008 -4.826 1.00 0.00 H new ATOM 0 HG22 VAL A 9 4.573 -0.932 -3.389 1.00 0.00 H new ATOM 0 HG23 VAL A 9 5.574 0.421 -3.968 1.00 0.00 H new ATOM 153 N GLU A 10 8.996 -3.256 -5.000 1.00 0.00 N ATOM 154 CA GLU A 10 10.029 -3.745 -5.910 1.00 0.00 C ATOM 155 C GLU A 10 9.435 -4.719 -6.933 1.00 0.00 C ATOM 156 O GLU A 10 8.388 -5.324 -6.702 1.00 0.00 O ATOM 157 CB GLU A 10 11.221 -4.398 -5.202 1.00 0.00 C ATOM 158 CG GLU A 10 11.736 -3.605 -4.006 1.00 0.00 C ATOM 159 CD GLU A 10 12.079 -2.170 -4.332 1.00 0.00 C ATOM 160 OE1 GLU A 10 11.191 -1.322 -4.112 1.00 0.00 O ATOM 161 OE2 GLU A 10 13.265 -1.846 -4.556 1.00 0.00 O ATOM 0 H GLU A 10 9.130 -3.500 -4.019 1.00 0.00 H new ATOM 0 HA GLU A 10 10.414 -2.861 -6.418 1.00 0.00 H new ATOM 0 HB2 GLU A 10 10.932 -5.395 -4.868 1.00 0.00 H new ATOM 0 HB3 GLU A 10 12.032 -4.525 -5.919 1.00 0.00 H new ATOM 0 HG2 GLU A 10 10.982 -3.619 -3.219 1.00 0.00 H new ATOM 0 HG3 GLU A 10 12.622 -4.100 -3.607 1.00 0.00 H new ATOM 168 N GLY A 11 10.132 -4.895 -8.057 1.00 0.00 N ATOM 169 CA GLY A 11 9.769 -5.854 -9.086 1.00 0.00 C ATOM 170 C GLY A 11 9.190 -5.137 -10.296 1.00 0.00 C ATOM 171 O GLY A 11 9.742 -5.225 -11.391 1.00 0.00 O ATOM 0 H GLY A 11 10.976 -4.365 -8.275 1.00 0.00 H new ATOM 0 HA2 GLY A 11 10.646 -6.430 -9.381 1.00 0.00 H new ATOM 0 HA3 GLY A 11 9.040 -6.562 -8.692 1.00 0.00 H new ATOM 256 N THR A 18 -0.486 -1.199 -11.781 1.00 0.00 N ATOM 257 CA THR A 18 -0.840 -0.068 -10.948 1.00 0.00 C ATOM 258 C THR A 18 -2.331 -0.175 -10.686 1.00 0.00 C ATOM 259 O THR A 18 -2.730 -0.706 -9.661 1.00 0.00 O ATOM 260 CB THR A 18 -0.507 1.233 -11.698 1.00 0.00 C ATOM 261 OG1 THR A 18 -0.984 1.166 -13.037 1.00 0.00 O ATOM 262 CG2 THR A 18 0.999 1.464 -11.740 1.00 0.00 C ATOM 0 HA THR A 18 -0.289 -0.062 -10.008 1.00 0.00 H new ATOM 0 HB THR A 18 -0.990 2.053 -11.166 1.00 0.00 H new ATOM 0 HG1 THR A 18 -1.046 0.229 -13.316 1.00 0.00 H new ATOM 0 HG21 THR A 18 1.210 2.390 -12.275 1.00 0.00 H new ATOM 0 HG22 THR A 18 1.384 1.537 -10.723 1.00 0.00 H new ATOM 0 HG23 THR A 18 1.481 0.631 -12.252 1.00 0.00 H new ATOM 270 N SER A 19 -3.157 0.250 -11.643 1.00 0.00 N ATOM 271 CA SER A 19 -4.583 0.427 -11.422 1.00 0.00 C ATOM 272 C SER A 19 -5.266 -0.834 -10.908 1.00 0.00 C ATOM 273 O SER A 19 -6.078 -0.770 -9.988 1.00 0.00 O ATOM 274 CB SER A 19 -5.234 1.026 -12.674 1.00 0.00 C ATOM 275 OG SER A 19 -6.579 1.380 -12.423 1.00 0.00 O ATOM 0 H SER A 19 -2.852 0.479 -12.589 1.00 0.00 H new ATOM 0 HA SER A 19 -4.721 1.144 -10.612 1.00 0.00 H new ATOM 0 HB2 SER A 19 -4.676 1.906 -12.993 1.00 0.00 H new ATOM 0 HB3 SER A 19 -5.190 0.306 -13.491 1.00 0.00 H new ATOM 0 HG SER A 19 -6.974 1.761 -13.235 1.00 0.00 H new ATOM 281 N THR A 20 -4.879 -1.990 -11.442 1.00 0.00 N ATOM 282 CA THR A 20 -5.260 -3.272 -10.882 1.00 0.00 C ATOM 283 C THR A 20 -5.001 -3.331 -9.373 1.00 0.00 C ATOM 284 O THR A 20 -5.921 -3.582 -8.595 1.00 0.00 O ATOM 285 CB THR A 20 -4.519 -4.372 -11.656 1.00 0.00 C ATOM 286 OG1 THR A 20 -5.187 -4.610 -12.877 1.00 0.00 O ATOM 287 CG2 THR A 20 -4.408 -5.670 -10.863 1.00 0.00 C ATOM 0 H THR A 20 -4.293 -2.058 -12.274 1.00 0.00 H new ATOM 0 HA THR A 20 -6.334 -3.424 -10.993 1.00 0.00 H new ATOM 0 HB THR A 20 -3.503 -4.023 -11.839 1.00 0.00 H new ATOM 0 HG1 THR A 20 -4.717 -5.310 -13.376 1.00 0.00 H new ATOM 0 HG21 THR A 20 -3.876 -6.414 -11.456 1.00 0.00 H new ATOM 0 HG22 THR A 20 -3.863 -5.485 -9.938 1.00 0.00 H new ATOM 0 HG23 THR A 20 -5.406 -6.039 -10.628 1.00 0.00 H new ATOM 295 N ILE A 21 -3.748 -3.126 -8.961 1.00 0.00 N ATOM 296 CA ILE A 21 -3.372 -3.097 -7.567 1.00 0.00 C ATOM 297 C ILE A 21 -4.213 -2.044 -6.853 1.00 0.00 C ATOM 298 O ILE A 21 -4.849 -2.367 -5.859 1.00 0.00 O ATOM 299 CB ILE A 21 -1.845 -2.884 -7.463 1.00 0.00 C ATOM 300 CG1 ILE A 21 -1.109 -4.212 -7.702 1.00 0.00 C ATOM 301 CG2 ILE A 21 -1.383 -2.277 -6.136 1.00 0.00 C ATOM 302 CD1 ILE A 21 -0.663 -4.382 -9.152 1.00 0.00 C ATOM 0 H ILE A 21 -2.967 -2.975 -9.600 1.00 0.00 H new ATOM 0 HA ILE A 21 -3.578 -4.042 -7.064 1.00 0.00 H new ATOM 0 HB ILE A 21 -1.596 -2.157 -8.236 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -0.238 -4.263 -7.049 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -1.762 -5.040 -7.427 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -0.299 -2.161 -6.147 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -1.851 -1.302 -5.999 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -1.670 -2.935 -5.316 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -0.149 -5.336 -9.265 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -1.535 -4.360 -9.806 1.00 0.00 H new ATOM 0 HD13 ILE A 21 0.013 -3.571 -9.422 1.00 0.00 H new ATOM 314 N GLU A 22 -4.253 -0.811 -7.354 1.00 0.00 N ATOM 315 CA GLU A 22 -4.887 0.299 -6.667 1.00 0.00 C ATOM 316 C GLU A 22 -6.362 -0.008 -6.413 1.00 0.00 C ATOM 317 O GLU A 22 -6.812 -0.119 -5.278 1.00 0.00 O ATOM 318 CB GLU A 22 -4.686 1.575 -7.493 1.00 0.00 C ATOM 319 CG GLU A 22 -3.202 1.955 -7.486 1.00 0.00 C ATOM 320 CD GLU A 22 -2.898 3.133 -8.395 1.00 0.00 C ATOM 321 OE1 GLU A 22 -2.961 2.920 -9.624 1.00 0.00 O ATOM 322 OE2 GLU A 22 -2.572 4.202 -7.834 1.00 0.00 O ATOM 0 H GLU A 22 -3.843 -0.558 -8.253 1.00 0.00 H new ATOM 0 HA GLU A 22 -4.428 0.453 -5.690 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -5.028 1.417 -8.516 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -5.283 2.388 -7.079 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -2.897 2.198 -6.468 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -2.609 1.096 -7.800 1.00 0.00 H new ATOM 329 N GLY A 23 -7.095 -0.180 -7.504 1.00 0.00 N ATOM 330 CA GLY A 23 -8.482 -0.608 -7.545 1.00 0.00 C ATOM 331 C GLY A 23 -8.758 -1.790 -6.616 1.00 0.00 C ATOM 332 O GLY A 23 -9.651 -1.701 -5.773 1.00 0.00 O ATOM 0 H GLY A 23 -6.714 -0.015 -8.436 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -9.125 0.227 -7.266 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -8.744 -0.884 -8.566 1.00 0.00 H new ATOM 336 N LYS A 24 -8.021 -2.901 -6.756 1.00 0.00 N ATOM 337 CA LYS A 24 -8.267 -4.071 -5.920 1.00 0.00 C ATOM 338 C LYS A 24 -8.061 -3.708 -4.448 1.00 0.00 C ATOM 339 O LYS A 24 -8.944 -3.932 -3.623 1.00 0.00 O ATOM 340 CB LYS A 24 -7.377 -5.256 -6.333 1.00 0.00 C ATOM 341 CG LYS A 24 -7.788 -6.542 -5.588 1.00 0.00 C ATOM 342 CD LYS A 24 -6.584 -7.253 -4.949 1.00 0.00 C ATOM 343 CE LYS A 24 -7.064 -8.373 -4.009 1.00 0.00 C ATOM 344 NZ LYS A 24 -5.944 -9.079 -3.347 1.00 0.00 N ATOM 0 H LYS A 24 -7.263 -3.008 -7.430 1.00 0.00 H new ATOM 0 HA LYS A 24 -9.301 -4.386 -6.061 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -7.453 -5.415 -7.409 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -6.334 -5.024 -6.118 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -8.515 -6.295 -4.814 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -8.281 -7.221 -6.284 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -5.944 -7.670 -5.727 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -5.982 -6.535 -4.393 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -7.721 -7.948 -3.250 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -7.656 -9.091 -4.577 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -6.321 -9.823 -2.726 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -5.330 -9.509 -4.068 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -5.393 -8.402 -2.782 1.00 0.00 H new ATOM 358 N ILE A 25 -6.895 -3.155 -4.115 1.00 0.00 N ATOM 359 CA ILE A 25 -6.542 -2.749 -2.773 1.00 0.00 C ATOM 360 C ILE A 25 -7.585 -1.782 -2.205 1.00 0.00 C ATOM 361 O ILE A 25 -7.900 -1.847 -1.020 1.00 0.00 O ATOM 362 CB ILE A 25 -5.110 -2.183 -2.805 1.00 0.00 C ATOM 363 CG1 ILE A 25 -4.050 -3.246 -3.132 1.00 0.00 C ATOM 364 CG2 ILE A 25 -4.776 -1.360 -1.568 1.00 0.00 C ATOM 365 CD1 ILE A 25 -3.833 -4.212 -1.985 1.00 0.00 C ATOM 0 H ILE A 25 -6.157 -2.976 -4.796 1.00 0.00 H new ATOM 0 HA ILE A 25 -6.547 -3.598 -2.089 1.00 0.00 H new ATOM 0 HB ILE A 25 -5.082 -1.484 -3.641 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -4.356 -3.801 -4.019 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -3.108 -2.754 -3.373 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -3.755 -0.986 -1.644 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -5.466 -0.519 -1.493 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -4.868 -1.985 -0.680 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -3.075 -4.944 -2.264 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -3.500 -3.662 -1.105 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -4.768 -4.725 -1.760 1.00 0.00 H new ATOM 377 N GLY A 26 -8.174 -0.946 -3.058 1.00 0.00 N ATOM 378 CA GLY A 26 -9.275 -0.058 -2.729 1.00 0.00 C ATOM 379 C GLY A 26 -10.457 -0.751 -2.044 1.00 0.00 C ATOM 380 O GLY A 26 -11.229 -0.077 -1.368 1.00 0.00 O ATOM 0 H GLY A 26 -7.883 -0.870 -4.033 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -8.906 0.734 -2.078 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -9.628 0.419 -3.643 1.00 0.00 H new ATOM 384 N LYS A 27 -10.637 -2.069 -2.208 1.00 0.00 N ATOM 385 CA LYS A 27 -11.715 -2.792 -1.566 1.00 0.00 C ATOM 386 C LYS A 27 -11.295 -3.320 -0.194 1.00 0.00 C ATOM 387 O LYS A 27 -12.151 -3.789 0.554 1.00 0.00 O ATOM 388 CB LYS A 27 -12.164 -3.928 -2.490 1.00 0.00 C ATOM 389 CG LYS A 27 -13.131 -3.414 -3.563 1.00 0.00 C ATOM 390 CD LYS A 27 -13.692 -4.584 -4.386 1.00 0.00 C ATOM 391 CE LYS A 27 -15.004 -4.224 -5.101 1.00 0.00 C ATOM 392 NZ LYS A 27 -16.131 -4.052 -4.157 1.00 0.00 N ATOM 0 H LYS A 27 -10.035 -2.652 -2.790 1.00 0.00 H new ATOM 0 HA LYS A 27 -12.552 -2.115 -1.394 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -11.294 -4.380 -2.966 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -12.648 -4.709 -1.903 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -13.948 -2.867 -3.093 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -12.616 -2.713 -4.220 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -12.952 -4.892 -5.125 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -13.862 -5.437 -3.730 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -14.865 -3.304 -5.668 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -15.250 -5.007 -5.818 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -17.028 -4.047 -4.684 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -16.135 -4.837 -3.475 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -16.023 -3.151 -3.648 1.00 0.00 H new ATOM 406 N LEU A 28 -10.002 -3.304 0.141 1.00 0.00 N ATOM 407 CA LEU A 28 -9.538 -3.939 1.346 1.00 0.00 C ATOM 408 C LEU A 28 -10.037 -3.195 2.577 1.00 0.00 C ATOM 409 O LEU A 28 -9.965 -1.971 2.675 1.00 0.00 O ATOM 410 CB LEU A 28 -8.018 -4.019 1.374 1.00 0.00 C ATOM 411 CG LEU A 28 -7.342 -4.939 0.349 1.00 0.00 C ATOM 412 CD1 LEU A 28 -6.712 -6.104 1.091 1.00 0.00 C ATOM 413 CD2 LEU A 28 -8.251 -5.550 -0.711 1.00 0.00 C ATOM 0 H LEU A 28 -9.272 -2.856 -0.413 1.00 0.00 H new ATOM 0 HA LEU A 28 -9.940 -4.952 1.358 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -7.625 -3.012 1.234 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -7.716 -4.344 2.370 1.00 0.00 H new ATOM 0 HG LEU A 28 -6.636 -4.294 -0.174 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -6.226 -6.770 0.378 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -5.973 -5.728 1.798 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -7.484 -6.652 1.631 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -7.661 -6.180 -1.377 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -9.019 -6.153 -0.228 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -8.723 -4.755 -1.288 1.00 0.00 H new ATOM 425 N GLN A 29 -10.509 -3.980 3.538 1.00 0.00 N ATOM 426 CA GLN A 29 -11.031 -3.495 4.801 1.00 0.00 C ATOM 427 C GLN A 29 -9.982 -2.642 5.523 1.00 0.00 C ATOM 428 O GLN A 29 -8.996 -3.164 6.039 1.00 0.00 O ATOM 429 CB GLN A 29 -11.576 -4.675 5.615 1.00 0.00 C ATOM 430 CG GLN A 29 -10.476 -5.661 6.010 1.00 0.00 C ATOM 431 CD GLN A 29 -10.973 -7.102 6.011 1.00 0.00 C ATOM 432 OE1 GLN A 29 -11.972 -7.422 6.646 1.00 0.00 O ATOM 433 NE2 GLN A 29 -10.303 -7.982 5.273 1.00 0.00 N ATOM 0 H GLN A 29 -10.538 -4.996 3.454 1.00 0.00 H new ATOM 0 HA GLN A 29 -11.875 -2.824 4.641 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -12.065 -4.299 6.514 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -12.336 -5.196 5.033 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -9.639 -5.567 5.318 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -10.100 -5.407 7.001 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -9.475 -7.688 4.755 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -10.617 -8.951 5.225 1.00 0.00 H new ATOM 442 N GLY A 30 -10.183 -1.322 5.529 1.00 0.00 N ATOM 443 CA GLY A 30 -9.291 -0.372 6.176 1.00 0.00 C ATOM 444 C GLY A 30 -8.741 0.656 5.201 1.00 0.00 C ATOM 445 O GLY A 30 -8.394 1.756 5.626 1.00 0.00 O ATOM 0 H GLY A 30 -10.984 -0.882 5.076 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -9.826 0.139 6.976 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -8.464 -0.910 6.639 1.00 0.00 H new ATOM 449 N VAL A 31 -8.645 0.323 3.912 1.00 0.00 N ATOM 450 CA VAL A 31 -8.118 1.234 2.927 1.00 0.00 C ATOM 451 C VAL A 31 -9.205 2.237 2.563 1.00 0.00 C ATOM 452 O VAL A 31 -10.340 1.852 2.288 1.00 0.00 O ATOM 453 CB VAL A 31 -7.635 0.410 1.729 1.00 0.00 C ATOM 454 CG1 VAL A 31 -7.453 1.280 0.492 1.00 0.00 C ATOM 455 CG2 VAL A 31 -6.313 -0.272 2.082 1.00 0.00 C ATOM 0 H VAL A 31 -8.931 -0.581 3.537 1.00 0.00 H new ATOM 0 HA VAL A 31 -7.268 1.803 3.303 1.00 0.00 H new ATOM 0 HB VAL A 31 -8.392 -0.340 1.502 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -7.110 0.664 -0.339 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -8.404 1.744 0.231 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -6.715 2.055 0.698 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -5.968 -0.859 1.231 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -5.568 0.484 2.328 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -6.460 -0.929 2.940 1.00 0.00 H new ATOM 465 N GLN A 32 -8.843 3.520 2.558 1.00 0.00 N ATOM 466 CA GLN A 32 -9.712 4.602 2.122 1.00 0.00 C ATOM 467 C GLN A 32 -9.235 5.181 0.789 1.00 0.00 C ATOM 468 O GLN A 32 -10.061 5.617 -0.010 1.00 0.00 O ATOM 469 CB GLN A 32 -9.871 5.624 3.244 1.00 0.00 C ATOM 470 CG GLN A 32 -11.038 5.244 4.177 1.00 0.00 C ATOM 471 CD GLN A 32 -12.279 6.080 3.880 1.00 0.00 C ATOM 472 OE1 GLN A 32 -12.896 5.924 2.831 1.00 0.00 O ATOM 473 NE2 GLN A 32 -12.656 6.987 4.777 1.00 0.00 N ATOM 0 H GLN A 32 -7.922 3.837 2.862 1.00 0.00 H new ATOM 0 HA GLN A 32 -10.714 4.223 1.919 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -8.947 5.685 3.818 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -10.048 6.612 2.818 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -11.272 4.186 4.058 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -10.739 5.389 5.215 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -12.128 7.099 5.642 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -13.474 7.571 4.600 1.00 0.00 H new ATOM 482 N ARG A 33 -7.926 5.172 0.502 1.00 0.00 N ATOM 483 CA ARG A 33 -7.442 5.560 -0.819 1.00 0.00 C ATOM 484 C ARG A 33 -6.038 5.010 -1.056 1.00 0.00 C ATOM 485 O ARG A 33 -5.399 4.509 -0.128 1.00 0.00 O ATOM 486 CB ARG A 33 -7.498 7.094 -0.965 1.00 0.00 C ATOM 487 CG ARG A 33 -8.340 7.514 -2.176 1.00 0.00 C ATOM 488 CD ARG A 33 -8.718 8.996 -2.080 1.00 0.00 C ATOM 489 NE ARG A 33 -9.644 9.370 -3.159 1.00 0.00 N ATOM 490 CZ ARG A 33 -10.398 10.483 -3.180 1.00 0.00 C ATOM 491 NH1 ARG A 33 -10.266 11.397 -2.212 1.00 0.00 N ATOM 492 NH2 ARG A 33 -11.278 10.675 -4.167 1.00 0.00 N ATOM 0 H ARG A 33 -7.196 4.903 1.161 1.00 0.00 H new ATOM 0 HA ARG A 33 -8.087 5.129 -1.585 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -7.918 7.531 -0.059 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -6.487 7.488 -1.070 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -7.781 7.334 -3.095 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -9.243 6.905 -2.227 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -9.179 9.196 -1.113 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -7.819 9.610 -2.137 1.00 0.00 H new ATOM 0 HE ARG A 33 -9.720 8.735 -3.954 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -9.594 11.249 -1.459 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -10.837 12.242 -2.227 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -11.378 9.977 -4.904 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -11.850 11.519 -4.183 1.00 0.00 H new ATOM 506 N ILE A 34 -5.558 5.121 -2.297 1.00 0.00 N ATOM 507 CA ILE A 34 -4.254 4.630 -2.703 1.00 0.00 C ATOM 508 C ILE A 34 -3.732 5.454 -3.880 1.00 0.00 C ATOM 509 O ILE A 34 -4.527 5.959 -4.671 1.00 0.00 O ATOM 510 CB ILE A 34 -4.334 3.121 -3.010 1.00 0.00 C ATOM 511 CG1 ILE A 34 -2.922 2.594 -3.310 1.00 0.00 C ATOM 512 CG2 ILE A 34 -5.307 2.811 -4.164 1.00 0.00 C ATOM 513 CD1 ILE A 34 -2.800 1.085 -3.093 1.00 0.00 C ATOM 0 H ILE A 34 -6.079 5.563 -3.055 1.00 0.00 H new ATOM 0 HA ILE A 34 -3.537 4.749 -1.891 1.00 0.00 H new ATOM 0 HB ILE A 34 -4.733 2.610 -2.134 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -2.661 2.831 -4.341 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -2.203 3.108 -2.673 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -5.329 1.736 -4.343 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -6.307 3.155 -3.899 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -4.975 3.322 -5.067 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -1.783 0.766 -3.319 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -3.033 0.847 -2.055 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -3.498 0.565 -3.750 1.00 0.00 H new ATOM 525 N LYS A 35 -2.408 5.631 -3.947 1.00 0.00 N ATOM 526 CA LYS A 35 -1.673 6.166 -5.082 1.00 0.00 C ATOM 527 C LYS A 35 -0.419 5.298 -5.264 1.00 0.00 C ATOM 528 O LYS A 35 0.500 5.401 -4.452 1.00 0.00 O ATOM 529 CB LYS A 35 -1.246 7.619 -4.809 1.00 0.00 C ATOM 530 CG LYS A 35 -2.375 8.655 -4.712 1.00 0.00 C ATOM 531 CD LYS A 35 -3.070 8.692 -3.339 1.00 0.00 C ATOM 532 CE LYS A 35 -3.317 10.145 -2.902 1.00 0.00 C ATOM 533 NZ LYS A 35 -4.049 10.231 -1.620 1.00 0.00 N ATOM 0 H LYS A 35 -1.795 5.391 -3.168 1.00 0.00 H new ATOM 0 HA LYS A 35 -2.299 6.154 -5.974 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -0.682 7.640 -3.877 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -0.564 7.929 -5.601 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -1.968 9.643 -4.929 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -3.119 8.441 -5.479 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -4.017 8.155 -3.389 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -2.453 8.183 -2.598 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -2.361 10.660 -2.807 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -3.883 10.663 -3.676 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -4.191 11.230 -1.368 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -4.973 9.763 -1.716 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -3.498 9.761 -0.874 1.00 0.00 H new ATOM 547 N VAL A 36 -0.356 4.443 -6.287 1.00 0.00 N ATOM 548 CA VAL A 36 0.838 3.657 -6.600 1.00 0.00 C ATOM 549 C VAL A 36 1.687 4.404 -7.627 1.00 0.00 C ATOM 550 O VAL A 36 1.285 4.549 -8.779 1.00 0.00 O ATOM 551 CB VAL A 36 0.459 2.247 -7.080 1.00 0.00 C ATOM 552 CG1 VAL A 36 1.674 1.476 -7.611 1.00 0.00 C ATOM 553 CG2 VAL A 36 -0.110 1.439 -5.912 1.00 0.00 C ATOM 0 H VAL A 36 -1.135 4.276 -6.924 1.00 0.00 H new ATOM 0 HA VAL A 36 1.433 3.529 -5.695 1.00 0.00 H new ATOM 0 HB VAL A 36 -0.272 2.371 -7.879 1.00 0.00 H new ATOM 0 HG11 VAL A 36 1.361 0.485 -7.940 1.00 0.00 H new ATOM 0 HG12 VAL A 36 2.109 2.016 -8.452 1.00 0.00 H new ATOM 0 HG13 VAL A 36 2.417 1.378 -6.820 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -0.377 0.440 -6.257 1.00 0.00 H new ATOM 0 HG22 VAL A 36 0.639 1.362 -5.124 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -0.997 1.938 -5.522 1.00 0.00 H new ATOM 563 N SER A 37 2.880 4.850 -7.224 1.00 0.00 N ATOM 564 CA SER A 37 3.780 5.604 -8.081 1.00 0.00 C ATOM 565 C SER A 37 4.850 4.647 -8.619 1.00 0.00 C ATOM 566 O SER A 37 6.002 4.673 -8.184 1.00 0.00 O ATOM 567 CB SER A 37 4.336 6.799 -7.284 1.00 0.00 C ATOM 568 OG SER A 37 4.365 7.959 -8.091 1.00 0.00 O ATOM 0 H SER A 37 3.245 4.693 -6.285 1.00 0.00 H new ATOM 0 HA SER A 37 3.275 6.026 -8.950 1.00 0.00 H new ATOM 0 HB2 SER A 37 3.718 6.976 -6.404 1.00 0.00 H new ATOM 0 HB3 SER A 37 5.341 6.571 -6.928 1.00 0.00 H new ATOM 0 HG SER A 37 4.719 8.711 -7.571 1.00 0.00 H new ATOM 574 N LEU A 38 4.457 3.777 -9.559 1.00 0.00 N ATOM 575 CA LEU A 38 5.335 2.795 -10.195 1.00 0.00 C ATOM 576 C LEU A 38 6.650 3.450 -10.618 1.00 0.00 C ATOM 577 O LEU A 38 7.715 2.981 -10.227 1.00 0.00 O ATOM 578 CB LEU A 38 4.589 2.108 -11.346 1.00 0.00 C ATOM 579 CG LEU A 38 5.167 0.730 -11.712 1.00 0.00 C ATOM 580 CD1 LEU A 38 4.096 -0.104 -12.416 1.00 0.00 C ATOM 581 CD2 LEU A 38 6.411 0.842 -12.591 1.00 0.00 C ATOM 0 H LEU A 38 3.498 3.738 -9.904 1.00 0.00 H new ATOM 0 HA LEU A 38 5.606 2.014 -9.485 1.00 0.00 H new ATOM 0 HB2 LEU A 38 3.540 1.993 -11.072 1.00 0.00 H new ATOM 0 HB3 LEU A 38 4.620 2.752 -12.225 1.00 0.00 H new ATOM 0 HG LEU A 38 5.470 0.239 -10.787 1.00 0.00 H new ATOM 0 HD11 LEU A 38 4.507 -1.080 -12.675 1.00 0.00 H new ATOM 0 HD12 LEU A 38 3.242 -0.234 -11.752 1.00 0.00 H new ATOM 0 HD13 LEU A 38 3.775 0.407 -13.324 1.00 0.00 H new ATOM 0 HD21 LEU A 38 6.783 -0.156 -12.823 1.00 0.00 H new ATOM 0 HD22 LEU A 38 6.157 1.359 -13.516 1.00 0.00 H new ATOM 0 HD23 LEU A 38 7.181 1.402 -12.061 1.00 0.00 H new ATOM 593 N ASP A 39 6.570 4.577 -11.328 1.00 0.00 N ATOM 594 CA ASP A 39 7.685 5.453 -11.667 1.00 0.00 C ATOM 595 C ASP A 39 8.657 5.600 -10.504 1.00 0.00 C ATOM 596 O ASP A 39 9.863 5.405 -10.647 1.00 0.00 O ATOM 597 CB ASP A 39 7.148 6.856 -11.983 1.00 0.00 C ATOM 598 CG ASP A 39 6.051 6.845 -13.042 1.00 0.00 C ATOM 599 OD1 ASP A 39 5.032 6.162 -12.781 1.00 0.00 O ATOM 600 OD2 ASP A 39 6.252 7.499 -14.087 1.00 0.00 O ATOM 0 H ASP A 39 5.682 4.917 -11.698 1.00 0.00 H new ATOM 0 HA ASP A 39 8.199 5.011 -12.520 1.00 0.00 H new ATOM 0 HB2 ASP A 39 6.760 7.306 -11.069 1.00 0.00 H new ATOM 0 HB3 ASP A 39 7.969 7.486 -12.324 1.00 0.00 H new ATOM 605 N ASN A 40 8.111 5.993 -9.350 1.00 0.00 N ATOM 606 CA ASN A 40 8.900 6.313 -8.179 1.00 0.00 C ATOM 607 C ASN A 40 9.363 5.031 -7.474 1.00 0.00 C ATOM 608 O ASN A 40 10.233 5.086 -6.606 1.00 0.00 O ATOM 609 CB ASN A 40 8.108 7.200 -7.207 1.00 0.00 C ATOM 610 CG ASN A 40 8.986 8.179 -6.428 1.00 0.00 C ATOM 611 OD1 ASN A 40 8.683 9.365 -6.365 1.00 0.00 O ATOM 612 ND2 ASN A 40 10.073 7.718 -5.818 1.00 0.00 N ATOM 0 H ASN A 40 7.106 6.095 -9.211 1.00 0.00 H new ATOM 0 HA ASN A 40 9.779 6.868 -8.507 1.00 0.00 H new ATOM 0 HB2 ASN A 40 7.359 7.761 -7.766 1.00 0.00 H new ATOM 0 HB3 ASN A 40 7.571 6.565 -6.502 1.00 0.00 H new ATOM 0 HD21 ASN A 40 10.669 8.354 -5.288 1.00 0.00 H new ATOM 0 HD22 ASN A 40 10.312 6.728 -5.880 1.00 0.00 H new ATOM 619 N GLN A 41 8.737 3.890 -7.799 1.00 0.00 N ATOM 620 CA GLN A 41 8.955 2.567 -7.210 1.00 0.00 C ATOM 621 C GLN A 41 8.433 2.497 -5.772 1.00 0.00 C ATOM 622 O GLN A 41 8.626 1.513 -5.055 1.00 0.00 O ATOM 623 CB GLN A 41 10.419 2.134 -7.363 1.00 0.00 C ATOM 624 CG GLN A 41 10.869 2.480 -8.782 1.00 0.00 C ATOM 625 CD GLN A 41 12.231 1.924 -9.171 1.00 0.00 C ATOM 626 OE1 GLN A 41 12.890 1.236 -8.398 1.00 0.00 O ATOM 627 NE2 GLN A 41 12.675 2.237 -10.386 1.00 0.00 N ATOM 0 H GLN A 41 8.021 3.869 -8.525 1.00 0.00 H new ATOM 0 HA GLN A 41 8.366 1.837 -7.765 1.00 0.00 H new ATOM 0 HB2 GLN A 41 11.045 2.643 -6.630 1.00 0.00 H new ATOM 0 HB3 GLN A 41 10.521 1.064 -7.181 1.00 0.00 H new ATOM 0 HG2 GLN A 41 10.125 2.107 -9.486 1.00 0.00 H new ATOM 0 HG3 GLN A 41 10.891 3.565 -8.887 1.00 0.00 H new ATOM 0 HE21 GLN A 41 12.103 2.811 -11.006 1.00 0.00 H new ATOM 0 HE22 GLN A 41 13.587 1.903 -10.697 1.00 0.00 H new ATOM 636 N GLU A 42 7.730 3.561 -5.384 1.00 0.00 N ATOM 637 CA GLU A 42 7.144 3.787 -4.077 1.00 0.00 C ATOM 638 C GLU A 42 5.649 4.057 -4.272 1.00 0.00 C ATOM 639 O GLU A 42 5.242 4.673 -5.257 1.00 0.00 O ATOM 640 CB GLU A 42 7.865 4.960 -3.382 1.00 0.00 C ATOM 641 CG GLU A 42 8.236 4.612 -1.930 1.00 0.00 C ATOM 642 CD GLU A 42 8.875 5.773 -1.186 1.00 0.00 C ATOM 643 OE1 GLU A 42 8.674 6.932 -1.593 1.00 0.00 O ATOM 644 OE2 GLU A 42 9.463 5.558 -0.103 1.00 0.00 O ATOM 0 H GLU A 42 7.547 4.335 -6.022 1.00 0.00 H new ATOM 0 HA GLU A 42 7.261 2.916 -3.432 1.00 0.00 H new ATOM 0 HB2 GLU A 42 8.767 5.215 -3.938 1.00 0.00 H new ATOM 0 HB3 GLU A 42 7.224 5.841 -3.394 1.00 0.00 H new ATOM 0 HG2 GLU A 42 7.339 4.296 -1.397 1.00 0.00 H new ATOM 0 HG3 GLU A 42 8.922 3.765 -1.929 1.00 0.00 H new ATOM 651 N ALA A 43 4.826 3.582 -3.341 1.00 0.00 N ATOM 652 CA ALA A 43 3.381 3.737 -3.365 1.00 0.00 C ATOM 653 C ALA A 43 2.927 4.296 -2.023 1.00 0.00 C ATOM 654 O ALA A 43 3.632 4.132 -1.029 1.00 0.00 O ATOM 655 CB ALA A 43 2.748 2.381 -3.628 1.00 0.00 C ATOM 0 H ALA A 43 5.159 3.065 -2.528 1.00 0.00 H new ATOM 0 HA ALA A 43 3.077 4.425 -4.154 1.00 0.00 H new ATOM 0 HB1 ALA A 43 1.663 2.484 -3.648 1.00 0.00 H new ATOM 0 HB2 ALA A 43 3.094 1.998 -4.588 1.00 0.00 H new ATOM 0 HB3 ALA A 43 3.032 1.687 -2.837 1.00 0.00 H new ATOM 661 N THR A 44 1.755 4.932 -2.007 1.00 0.00 N ATOM 662 CA THR A 44 1.203 5.693 -0.906 1.00 0.00 C ATOM 663 C THR A 44 -0.229 5.207 -0.696 1.00 0.00 C ATOM 664 O THR A 44 -1.100 5.551 -1.495 1.00 0.00 O ATOM 665 CB THR A 44 1.243 7.181 -1.294 1.00 0.00 C ATOM 666 OG1 THR A 44 2.572 7.652 -1.223 1.00 0.00 O ATOM 667 CG2 THR A 44 0.360 8.048 -0.394 1.00 0.00 C ATOM 0 H THR A 44 1.134 4.924 -2.816 1.00 0.00 H new ATOM 0 HA THR A 44 1.764 5.563 0.019 1.00 0.00 H new ATOM 0 HB THR A 44 0.857 7.258 -2.310 1.00 0.00 H new ATOM 0 HG1 THR A 44 2.597 8.600 -1.472 1.00 0.00 H new ATOM 0 HG21 THR A 44 0.426 9.088 -0.713 1.00 0.00 H new ATOM 0 HG22 THR A 44 -0.674 7.711 -0.466 1.00 0.00 H new ATOM 0 HG23 THR A 44 0.698 7.963 0.639 1.00 0.00 H new ATOM 675 N ILE A 45 -0.489 4.411 0.346 1.00 0.00 N ATOM 676 CA ILE A 45 -1.847 4.037 0.719 1.00 0.00 C ATOM 677 C ILE A 45 -2.321 4.952 1.854 1.00 0.00 C ATOM 678 O ILE A 45 -1.483 5.443 2.612 1.00 0.00 O ATOM 679 CB ILE A 45 -1.882 2.563 1.133 1.00 0.00 C ATOM 680 CG1 ILE A 45 -1.029 1.737 0.161 1.00 0.00 C ATOM 681 CG2 ILE A 45 -3.333 2.048 1.177 1.00 0.00 C ATOM 682 CD1 ILE A 45 -1.197 0.256 0.440 1.00 0.00 C ATOM 0 H ILE A 45 0.233 4.013 0.947 1.00 0.00 H new ATOM 0 HA ILE A 45 -2.521 4.159 -0.129 1.00 0.00 H new ATOM 0 HB ILE A 45 -1.466 2.460 2.135 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -1.321 1.956 -0.866 1.00 0.00 H new ATOM 0 HG13 ILE A 45 0.020 2.016 0.260 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -3.338 0.999 1.473 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -3.904 2.631 1.899 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -3.785 2.149 0.190 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -0.586 -0.317 -0.257 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -0.882 0.040 1.461 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -2.244 -0.021 0.317 1.00 0.00 H new ATOM 694 N VAL A 46 -3.638 5.166 1.983 1.00 0.00 N ATOM 695 CA VAL A 46 -4.251 5.814 3.137 1.00 0.00 C ATOM 696 C VAL A 46 -5.213 4.838 3.830 1.00 0.00 C ATOM 697 O VAL A 46 -6.161 4.351 3.203 1.00 0.00 O ATOM 698 CB VAL A 46 -4.813 7.199 2.789 1.00 0.00 C ATOM 699 CG1 VAL A 46 -6.171 7.124 2.147 1.00 0.00 C ATOM 700 CG2 VAL A 46 -4.905 8.100 4.021 1.00 0.00 C ATOM 0 H VAL A 46 -4.314 4.886 1.272 1.00 0.00 H new ATOM 0 HA VAL A 46 -3.495 6.048 3.886 1.00 0.00 H new ATOM 0 HB VAL A 46 -4.109 7.627 2.075 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -6.523 8.131 1.921 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -6.106 6.547 1.225 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -6.870 6.640 2.829 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -5.307 9.071 3.732 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -5.561 7.640 4.760 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -3.912 8.232 4.450 1.00 0.00 H new ATOM 710 N TYR A 47 -4.917 4.492 5.089 1.00 0.00 N ATOM 711 CA TYR A 47 -5.647 3.494 5.871 1.00 0.00 C ATOM 712 C TYR A 47 -5.418 3.704 7.371 1.00 0.00 C ATOM 713 O TYR A 47 -4.679 4.610 7.750 1.00 0.00 O ATOM 714 CB TYR A 47 -5.233 2.083 5.441 1.00 0.00 C ATOM 715 CG TYR A 47 -3.797 1.732 5.743 1.00 0.00 C ATOM 716 CD1 TYR A 47 -3.457 1.140 6.969 1.00 0.00 C ATOM 717 CD2 TYR A 47 -2.804 1.951 4.776 1.00 0.00 C ATOM 718 CE1 TYR A 47 -2.171 0.621 7.162 1.00 0.00 C ATOM 719 CE2 TYR A 47 -1.516 1.435 4.972 1.00 0.00 C ATOM 720 CZ TYR A 47 -1.218 0.708 6.133 1.00 0.00 C ATOM 721 OH TYR A 47 0.006 0.123 6.250 1.00 0.00 O ATOM 0 H TYR A 47 -4.142 4.911 5.603 1.00 0.00 H new ATOM 0 HA TYR A 47 -6.714 3.612 5.681 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -5.882 1.361 5.936 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -5.401 1.980 4.369 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -4.187 1.085 7.763 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -3.032 2.515 3.884 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -1.912 0.154 8.101 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -0.751 1.598 4.227 1.00 0.00 H new ATOM 0 HH TYR A 47 -0.086 -0.740 6.704 1.00 0.00 H new ATOM 731 N GLN A 48 -6.038 2.885 8.234 1.00 0.00 N ATOM 732 CA GLN A 48 -5.887 2.956 9.674 1.00 0.00 C ATOM 733 C GLN A 48 -5.750 1.565 10.313 1.00 0.00 C ATOM 734 O GLN A 48 -6.459 0.646 9.898 1.00 0.00 O ATOM 735 CB GLN A 48 -7.097 3.753 10.187 1.00 0.00 C ATOM 736 CG GLN A 48 -7.798 3.112 11.384 1.00 0.00 C ATOM 737 CD GLN A 48 -8.873 4.011 11.984 1.00 0.00 C ATOM 738 OE1 GLN A 48 -8.568 4.903 12.776 1.00 0.00 O ATOM 739 NE2 GLN A 48 -10.130 3.801 11.609 1.00 0.00 N ATOM 0 H GLN A 48 -6.669 2.143 7.932 1.00 0.00 H new ATOM 0 HA GLN A 48 -4.962 3.458 9.955 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -6.769 4.755 10.464 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -7.816 3.866 9.375 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -8.249 2.169 11.074 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -7.059 2.875 12.149 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -10.348 3.053 10.951 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -10.878 4.388 11.979 1.00 0.00 H new ATOM 748 N PRO A 49 -4.905 1.413 11.357 1.00 0.00 N ATOM 749 CA PRO A 49 -4.797 0.191 12.143 1.00 0.00 C ATOM 750 C PRO A 49 -6.062 -0.017 12.978 1.00 0.00 C ATOM 751 O PRO A 49 -6.075 0.203 14.187 1.00 0.00 O ATOM 752 CB PRO A 49 -3.562 0.367 13.029 1.00 0.00 C ATOM 753 CG PRO A 49 -3.491 1.877 13.233 1.00 0.00 C ATOM 754 CD PRO A 49 -4.014 2.431 11.908 1.00 0.00 C ATOM 0 HA PRO A 49 -4.696 -0.692 11.511 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -3.667 -0.163 13.976 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -2.663 -0.017 12.547 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -4.104 2.199 14.075 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -2.473 2.209 13.435 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -4.546 3.370 12.063 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -3.192 2.639 11.223 1.00 0.00 H new ATOM 762 N HIS A 50 -7.138 -0.435 12.319 1.00 0.00 N ATOM 763 CA HIS A 50 -8.370 -0.851 12.966 1.00 0.00 C ATOM 764 C HIS A 50 -8.914 -2.060 12.217 1.00 0.00 C ATOM 765 O HIS A 50 -9.142 -3.113 12.805 1.00 0.00 O ATOM 766 CB HIS A 50 -9.361 0.318 12.997 1.00 0.00 C ATOM 767 CG HIS A 50 -10.549 0.062 13.886 1.00 0.00 C ATOM 768 ND1 HIS A 50 -10.563 0.180 15.257 1.00 0.00 N ATOM 769 CD2 HIS A 50 -11.804 -0.314 13.489 1.00 0.00 C ATOM 770 CE1 HIS A 50 -11.805 -0.116 15.674 1.00 0.00 C ATOM 771 NE2 HIS A 50 -12.598 -0.419 14.634 1.00 0.00 N ATOM 0 H HIS A 50 -7.175 -0.494 11.301 1.00 0.00 H new ATOM 0 HA HIS A 50 -8.194 -1.139 14.002 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -8.845 1.215 13.340 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -9.709 0.518 11.984 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -12.123 -0.497 12.473 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -12.123 -0.111 16.706 1.00 0.00 H new ATOM 0 HE2 HIS A 50 -13.585 -0.675 14.672 1.00 0.00 H new ATOM 779 N LEU A 51 -9.092 -1.903 10.904 1.00 0.00 N ATOM 780 CA LEU A 51 -9.542 -2.975 10.031 1.00 0.00 C ATOM 781 C LEU A 51 -8.356 -3.774 9.474 1.00 0.00 C ATOM 782 O LEU A 51 -8.547 -4.924 9.086 1.00 0.00 O ATOM 783 CB LEU A 51 -10.406 -2.390 8.910 1.00 0.00 C ATOM 784 CG LEU A 51 -11.748 -1.839 9.422 1.00 0.00 C ATOM 785 CD1 LEU A 51 -12.308 -0.799 8.445 1.00 0.00 C ATOM 786 CD2 LEU A 51 -12.782 -2.956 9.606 1.00 0.00 C ATOM 0 H LEU A 51 -8.925 -1.021 10.419 1.00 0.00 H new ATOM 0 HA LEU A 51 -10.147 -3.674 10.608 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -9.856 -1.591 8.412 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -10.595 -3.161 8.163 1.00 0.00 H new ATOM 0 HG LEU A 51 -11.557 -1.374 10.389 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -13.258 -0.419 8.822 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -11.601 0.025 8.346 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -12.464 -1.262 7.471 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -13.717 -2.530 9.969 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -12.955 -3.452 8.651 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -12.409 -3.681 10.329 1.00 0.00 H new ATOM 798 N ILE A 52 -7.146 -3.194 9.428 1.00 0.00 N ATOM 799 CA ILE A 52 -5.961 -3.838 8.897 1.00 0.00 C ATOM 800 C ILE A 52 -4.896 -3.945 9.981 1.00 0.00 C ATOM 801 O ILE A 52 -4.798 -3.074 10.842 1.00 0.00 O ATOM 802 CB ILE A 52 -5.488 -3.077 7.661 1.00 0.00 C ATOM 803 CG1 ILE A 52 -4.448 -3.855 6.861 1.00 0.00 C ATOM 804 CG2 ILE A 52 -4.890 -1.735 8.034 1.00 0.00 C ATOM 805 CD1 ILE A 52 -5.082 -5.087 6.235 1.00 0.00 C ATOM 0 H ILE A 52 -6.974 -2.248 9.768 1.00 0.00 H new ATOM 0 HA ILE A 52 -6.185 -4.858 8.583 1.00 0.00 H new ATOM 0 HB ILE A 52 -6.376 -2.934 7.045 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -4.026 -3.219 6.083 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -3.625 -4.151 7.511 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -4.563 -1.219 7.131 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -5.640 -1.132 8.545 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -4.036 -1.888 8.694 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -4.330 -5.634 5.667 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -5.482 -5.729 7.020 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -5.889 -4.782 5.569 1.00 0.00 H new ATOM 817 N SER A 53 -4.048 -4.974 9.907 1.00 0.00 N ATOM 818 CA SER A 53 -3.044 -5.263 10.921 1.00 0.00 C ATOM 819 C SER A 53 -1.741 -4.502 10.704 1.00 0.00 C ATOM 820 O SER A 53 -0.671 -4.988 11.055 1.00 0.00 O ATOM 821 CB SER A 53 -2.789 -6.756 10.973 1.00 0.00 C ATOM 822 OG SER A 53 -4.006 -7.452 11.138 1.00 0.00 O ATOM 0 H SER A 53 -4.043 -5.635 9.130 1.00 0.00 H new ATOM 0 HA SER A 53 -3.440 -4.921 11.877 1.00 0.00 H new ATOM 0 HB2 SER A 53 -2.297 -7.081 10.056 1.00 0.00 H new ATOM 0 HB3 SER A 53 -2.114 -6.989 11.796 1.00 0.00 H new ATOM 0 HG SER A 53 -3.830 -8.416 11.169 1.00 0.00 H new ATOM 828 N VAL A 54 -1.842 -3.325 10.093 1.00 0.00 N ATOM 829 CA VAL A 54 -0.785 -2.366 9.839 1.00 0.00 C ATOM 830 C VAL A 54 0.130 -2.841 8.717 1.00 0.00 C ATOM 831 O VAL A 54 0.279 -2.165 7.701 1.00 0.00 O ATOM 832 CB VAL A 54 -0.119 -1.925 11.161 1.00 0.00 C ATOM 833 CG1 VAL A 54 1.350 -2.326 11.285 1.00 0.00 C ATOM 834 CG2 VAL A 54 -0.197 -0.407 11.288 1.00 0.00 C ATOM 0 H VAL A 54 -2.739 -2.996 9.736 1.00 0.00 H new ATOM 0 HA VAL A 54 -1.194 -1.437 9.441 1.00 0.00 H new ATOM 0 HB VAL A 54 -0.667 -2.437 11.952 1.00 0.00 H new ATOM 0 HG11 VAL A 54 1.742 -1.979 12.241 1.00 0.00 H new ATOM 0 HG12 VAL A 54 1.437 -3.411 11.229 1.00 0.00 H new ATOM 0 HG13 VAL A 54 1.920 -1.874 10.473 1.00 0.00 H new ATOM 0 HG21 VAL A 54 0.273 -0.095 12.221 1.00 0.00 H new ATOM 0 HG22 VAL A 54 0.322 0.055 10.448 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -1.241 -0.095 11.286 1.00 0.00 H new ATOM 844 N GLU A 55 0.697 -4.025 8.893 1.00 0.00 N ATOM 845 CA GLU A 55 1.616 -4.660 7.979 1.00 0.00 C ATOM 846 C GLU A 55 0.837 -5.422 6.911 1.00 0.00 C ATOM 847 O GLU A 55 1.253 -5.450 5.748 1.00 0.00 O ATOM 848 CB GLU A 55 2.527 -5.585 8.792 1.00 0.00 C ATOM 849 CG GLU A 55 3.997 -5.265 8.492 1.00 0.00 C ATOM 850 CD GLU A 55 4.951 -6.097 9.336 1.00 0.00 C ATOM 851 OE1 GLU A 55 5.000 -5.832 10.554 1.00 0.00 O ATOM 852 OE2 GLU A 55 5.616 -6.973 8.743 1.00 0.00 O ATOM 0 H GLU A 55 0.515 -4.592 9.721 1.00 0.00 H new ATOM 0 HA GLU A 55 2.231 -3.922 7.463 1.00 0.00 H new ATOM 0 HB2 GLU A 55 2.329 -5.461 9.857 1.00 0.00 H new ATOM 0 HB3 GLU A 55 2.315 -6.626 8.547 1.00 0.00 H new ATOM 0 HG2 GLU A 55 4.198 -5.445 7.436 1.00 0.00 H new ATOM 0 HG3 GLU A 55 4.181 -4.206 8.676 1.00 0.00 H new ATOM 859 N GLU A 56 -0.297 -6.020 7.315 1.00 0.00 N ATOM 860 CA GLU A 56 -1.125 -6.833 6.434 1.00 0.00 C ATOM 861 C GLU A 56 -1.276 -6.176 5.068 1.00 0.00 C ATOM 862 O GLU A 56 -1.015 -6.800 4.043 1.00 0.00 O ATOM 863 CB GLU A 56 -2.504 -7.061 7.061 1.00 0.00 C ATOM 864 CG GLU A 56 -2.629 -8.469 7.641 1.00 0.00 C ATOM 865 CD GLU A 56 -2.614 -9.504 6.521 1.00 0.00 C ATOM 866 OE1 GLU A 56 -3.337 -9.264 5.528 1.00 0.00 O ATOM 867 OE2 GLU A 56 -1.854 -10.484 6.660 1.00 0.00 O ATOM 0 H GLU A 56 -0.658 -5.947 8.266 1.00 0.00 H new ATOM 0 HA GLU A 56 -0.631 -7.796 6.300 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -2.673 -6.326 7.848 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -3.277 -6.906 6.308 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -1.808 -8.659 8.333 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -3.553 -8.554 8.212 1.00 0.00 H new ATOM 874 N MET A 57 -1.661 -4.896 5.069 1.00 0.00 N ATOM 875 CA MET A 57 -1.865 -4.117 3.874 1.00 0.00 C ATOM 876 C MET A 57 -0.774 -4.367 2.830 1.00 0.00 C ATOM 877 O MET A 57 -1.055 -4.701 1.683 1.00 0.00 O ATOM 878 CB MET A 57 -1.938 -2.640 4.265 1.00 0.00 C ATOM 879 CG MET A 57 -3.214 -2.001 3.729 1.00 0.00 C ATOM 880 SD MET A 57 -3.403 -1.918 1.933 1.00 0.00 S ATOM 881 CE MET A 57 -4.268 -3.473 1.609 1.00 0.00 C ATOM 0 H MET A 57 -1.840 -4.374 5.927 1.00 0.00 H new ATOM 0 HA MET A 57 -2.802 -4.421 3.406 1.00 0.00 H new ATOM 0 HB2 MET A 57 -1.906 -2.544 5.350 1.00 0.00 H new ATOM 0 HB3 MET A 57 -1.069 -2.112 3.873 1.00 0.00 H new ATOM 0 HG2 MET A 57 -4.063 -2.552 4.133 1.00 0.00 H new ATOM 0 HG3 MET A 57 -3.275 -0.986 4.123 1.00 0.00 H new ATOM 0 HE1 MET A 57 -5.112 -3.288 0.945 1.00 0.00 H new ATOM 0 HE2 MET A 57 -3.584 -4.179 1.138 1.00 0.00 H new ATOM 0 HE3 MET A 57 -4.630 -3.890 2.548 1.00 0.00 H new ATOM 891 N LYS A 58 0.483 -4.214 3.244 1.00 0.00 N ATOM 892 CA LYS A 58 1.621 -4.417 2.370 1.00 0.00 C ATOM 893 C LYS A 58 1.799 -5.899 2.070 1.00 0.00 C ATOM 894 O LYS A 58 2.002 -6.279 0.919 1.00 0.00 O ATOM 895 CB LYS A 58 2.871 -3.805 3.020 1.00 0.00 C ATOM 896 CG LYS A 58 3.694 -2.978 2.029 1.00 0.00 C ATOM 897 CD LYS A 58 4.302 -3.840 0.918 1.00 0.00 C ATOM 898 CE LYS A 58 3.688 -3.570 -0.459 1.00 0.00 C ATOM 899 NZ LYS A 58 4.256 -2.377 -1.118 1.00 0.00 N ATOM 0 H LYS A 58 0.734 -3.946 4.196 1.00 0.00 H new ATOM 0 HA LYS A 58 1.454 -3.917 1.416 1.00 0.00 H new ATOM 0 HB2 LYS A 58 2.571 -3.173 3.856 1.00 0.00 H new ATOM 0 HB3 LYS A 58 3.492 -4.602 3.429 1.00 0.00 H new ATOM 0 HG2 LYS A 58 3.060 -2.211 1.585 1.00 0.00 H new ATOM 0 HG3 LYS A 58 4.492 -2.462 2.564 1.00 0.00 H new ATOM 0 HD2 LYS A 58 5.376 -3.658 0.872 1.00 0.00 H new ATOM 0 HD3 LYS A 58 4.168 -4.892 1.169 1.00 0.00 H new ATOM 0 HE2 LYS A 58 3.843 -4.440 -1.097 1.00 0.00 H new ATOM 0 HE3 LYS A 58 2.611 -3.441 -0.352 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 4.134 -2.458 -2.148 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 3.765 -1.526 -0.778 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 5.269 -2.306 -0.894 1.00 0.00 H new ATOM 913 N LYS A 59 1.717 -6.739 3.099 1.00 0.00 N ATOM 914 CA LYS A 59 1.891 -8.173 2.928 1.00 0.00 C ATOM 915 C LYS A 59 0.936 -8.750 1.878 1.00 0.00 C ATOM 916 O LYS A 59 1.300 -9.696 1.185 1.00 0.00 O ATOM 917 CB LYS A 59 1.798 -8.887 4.279 1.00 0.00 C ATOM 918 CG LYS A 59 3.180 -9.004 4.935 1.00 0.00 C ATOM 919 CD LYS A 59 3.874 -7.647 5.162 1.00 0.00 C ATOM 920 CE LYS A 59 5.177 -7.831 5.948 1.00 0.00 C ATOM 921 NZ LYS A 59 6.177 -8.612 5.204 1.00 0.00 N ATOM 0 H LYS A 59 1.531 -6.448 4.059 1.00 0.00 H new ATOM 0 HA LYS A 59 2.892 -8.351 2.536 1.00 0.00 H new ATOM 0 HB2 LYS A 59 1.124 -8.340 4.938 1.00 0.00 H new ATOM 0 HB3 LYS A 59 1.372 -9.881 4.141 1.00 0.00 H new ATOM 0 HG2 LYS A 59 3.076 -9.514 5.893 1.00 0.00 H new ATOM 0 HG3 LYS A 59 3.818 -9.628 4.309 1.00 0.00 H new ATOM 0 HD2 LYS A 59 4.086 -7.176 4.202 1.00 0.00 H new ATOM 0 HD3 LYS A 59 3.207 -6.978 5.705 1.00 0.00 H new ATOM 0 HE2 LYS A 59 5.592 -6.853 6.191 1.00 0.00 H new ATOM 0 HE3 LYS A 59 4.961 -8.330 6.893 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 6.395 -9.484 5.726 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 5.800 -8.855 4.266 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 7.044 -8.049 5.093 1.00 0.00 H new ATOM 935 N GLN A 60 -0.247 -8.161 1.694 1.00 0.00 N ATOM 936 CA GLN A 60 -1.182 -8.580 0.662 1.00 0.00 C ATOM 937 C GLN A 60 -0.547 -8.399 -0.711 1.00 0.00 C ATOM 938 O GLN A 60 -0.653 -9.260 -1.578 1.00 0.00 O ATOM 939 CB GLN A 60 -2.462 -7.752 0.768 1.00 0.00 C ATOM 940 CG GLN A 60 -3.056 -7.832 2.182 1.00 0.00 C ATOM 941 CD GLN A 60 -4.460 -8.422 2.280 1.00 0.00 C ATOM 942 OE1 GLN A 60 -5.114 -8.701 1.279 1.00 0.00 O ATOM 943 NE2 GLN A 60 -4.952 -8.607 3.499 1.00 0.00 N ATOM 0 H GLN A 60 -0.579 -7.380 2.260 1.00 0.00 H new ATOM 0 HA GLN A 60 -1.429 -9.633 0.798 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -2.248 -6.713 0.518 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -3.192 -8.111 0.043 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -2.388 -8.428 2.803 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -3.074 -6.828 2.606 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -4.391 -8.368 4.317 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -5.891 -8.988 3.618 1.00 0.00 H new ATOM 952 N ILE A 61 0.122 -7.261 -0.891 1.00 0.00 N ATOM 953 CA ILE A 61 0.897 -6.982 -2.094 1.00 0.00 C ATOM 954 C ILE A 61 2.078 -7.949 -2.211 1.00 0.00 C ATOM 955 O ILE A 61 2.262 -8.538 -3.273 1.00 0.00 O ATOM 956 CB ILE A 61 1.313 -5.507 -2.182 1.00 0.00 C ATOM 957 CG1 ILE A 61 0.135 -4.589 -2.557 1.00 0.00 C ATOM 958 CG2 ILE A 61 2.407 -5.287 -3.241 1.00 0.00 C ATOM 959 CD1 ILE A 61 -0.537 -3.998 -1.323 1.00 0.00 C ATOM 0 H ILE A 61 0.140 -6.507 -0.204 1.00 0.00 H new ATOM 0 HA ILE A 61 0.257 -7.155 -2.960 1.00 0.00 H new ATOM 0 HB ILE A 61 1.682 -5.255 -1.188 1.00 0.00 H new ATOM 0 HG12 ILE A 61 0.492 -3.783 -3.198 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -0.597 -5.154 -3.134 1.00 0.00 H new ATOM 0 HG21 ILE A 61 2.675 -4.231 -3.274 1.00 0.00 H new ATOM 0 HG22 ILE A 61 3.287 -5.877 -2.983 1.00 0.00 H new ATOM 0 HG23 ILE A 61 2.036 -5.597 -4.218 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -1.363 -3.356 -1.631 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -0.918 -4.804 -0.695 1.00 0.00 H new ATOM 0 HD13 ILE A 61 0.188 -3.411 -0.760 1.00 0.00 H new ATOM 971 N GLU A 62 2.872 -8.127 -1.149 1.00 0.00 N ATOM 972 CA GLU A 62 4.027 -9.032 -1.171 1.00 0.00 C ATOM 973 C GLU A 62 3.557 -10.402 -1.677 1.00 0.00 C ATOM 974 O GLU A 62 4.124 -10.982 -2.602 1.00 0.00 O ATOM 975 CB GLU A 62 4.641 -9.142 0.231 1.00 0.00 C ATOM 976 CG GLU A 62 5.154 -7.777 0.708 1.00 0.00 C ATOM 977 CD GLU A 62 5.693 -7.783 2.125 1.00 0.00 C ATOM 978 OE1 GLU A 62 5.881 -8.881 2.691 1.00 0.00 O ATOM 979 OE2 GLU A 62 5.880 -6.683 2.684 1.00 0.00 O ATOM 0 H GLU A 62 2.734 -7.652 -0.257 1.00 0.00 H new ATOM 0 HA GLU A 62 4.798 -8.645 -1.837 1.00 0.00 H new ATOM 0 HB2 GLU A 62 3.896 -9.521 0.931 1.00 0.00 H new ATOM 0 HB3 GLU A 62 5.461 -9.860 0.219 1.00 0.00 H new ATOM 0 HG2 GLU A 62 5.940 -7.439 0.032 1.00 0.00 H new ATOM 0 HG3 GLU A 62 4.343 -7.052 0.642 1.00 0.00 H new ATOM 986 N ALA A 63 2.456 -10.871 -1.087 1.00 0.00 N ATOM 987 CA ALA A 63 1.802 -12.133 -1.379 1.00 0.00 C ATOM 988 C ALA A 63 1.318 -12.263 -2.827 1.00 0.00 C ATOM 989 O ALA A 63 1.116 -13.386 -3.283 1.00 0.00 O ATOM 990 CB ALA A 63 0.644 -12.315 -0.398 1.00 0.00 C ATOM 0 H ALA A 63 1.977 -10.347 -0.355 1.00 0.00 H new ATOM 0 HA ALA A 63 2.542 -12.924 -1.258 1.00 0.00 H new ATOM 0 HB1 ALA A 63 0.139 -13.259 -0.602 1.00 0.00 H new ATOM 0 HB2 ALA A 63 1.029 -12.322 0.622 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -0.063 -11.494 -0.513 1.00 0.00 H new ATOM 996 N MET A 64 1.144 -11.161 -3.572 1.00 0.00 N ATOM 997 CA MET A 64 0.880 -11.255 -5.006 1.00 0.00 C ATOM 998 C MET A 64 2.057 -11.948 -5.697 1.00 0.00 C ATOM 999 O MET A 64 1.864 -12.658 -6.681 1.00 0.00 O ATOM 1000 CB MET A 64 0.665 -9.869 -5.632 1.00 0.00 C ATOM 1001 CG MET A 64 -0.511 -9.095 -5.025 1.00 0.00 C ATOM 1002 SD MET A 64 -2.179 -9.753 -5.290 1.00 0.00 S ATOM 1003 CE MET A 64 -2.350 -9.514 -7.072 1.00 0.00 C ATOM 0 H MET A 64 1.181 -10.209 -3.207 1.00 0.00 H new ATOM 0 HA MET A 64 -0.033 -11.834 -5.144 1.00 0.00 H new ATOM 0 HB2 MET A 64 1.575 -9.281 -5.513 1.00 0.00 H new ATOM 0 HB3 MET A 64 0.498 -9.986 -6.703 1.00 0.00 H new ATOM 0 HG2 MET A 64 -0.346 -9.023 -3.950 1.00 0.00 H new ATOM 0 HG3 MET A 64 -0.484 -8.080 -5.421 1.00 0.00 H new ATOM 0 HE1 MET A 64 -3.369 -9.754 -7.375 1.00 0.00 H new ATOM 0 HE2 MET A 64 -2.131 -8.476 -7.323 1.00 0.00 H new ATOM 0 HE3 MET A 64 -1.653 -10.168 -7.595 1.00 0.00 H new ATOM 1013 N GLY A 65 3.273 -11.717 -5.189 1.00 0.00 N ATOM 1014 CA GLY A 65 4.488 -12.345 -5.688 1.00 0.00 C ATOM 1015 C GLY A 65 5.656 -11.364 -5.691 1.00 0.00 C ATOM 1016 O GLY A 65 6.804 -11.761 -5.500 1.00 0.00 O ATOM 0 H GLY A 65 3.436 -11.079 -4.410 1.00 0.00 H new ATOM 0 HA2 GLY A 65 4.736 -13.207 -5.069 1.00 0.00 H new ATOM 0 HA3 GLY A 65 4.319 -12.717 -6.699 1.00 0.00 H new ATOM 1020 N PHE A 66 5.377 -10.081 -5.935 1.00 0.00 N ATOM 1021 CA PHE A 66 6.418 -9.073 -6.058 1.00 0.00 C ATOM 1022 C PHE A 66 6.954 -8.737 -4.665 1.00 0.00 C ATOM 1023 O PHE A 66 6.174 -8.280 -3.832 1.00 0.00 O ATOM 1024 CB PHE A 66 5.857 -7.826 -6.752 1.00 0.00 C ATOM 1025 CG PHE A 66 5.514 -8.045 -8.214 1.00 0.00 C ATOM 1026 CD1 PHE A 66 6.542 -8.337 -9.131 1.00 0.00 C ATOM 1027 CD2 PHE A 66 4.177 -8.013 -8.653 1.00 0.00 C ATOM 1028 CE1 PHE A 66 6.237 -8.609 -10.474 1.00 0.00 C ATOM 1029 CE2 PHE A 66 3.873 -8.284 -9.999 1.00 0.00 C ATOM 1030 CZ PHE A 66 4.901 -8.591 -10.907 1.00 0.00 C ATOM 0 H PHE A 66 4.430 -9.720 -6.051 1.00 0.00 H new ATOM 0 HA PHE A 66 7.238 -9.454 -6.666 1.00 0.00 H new ATOM 0 HB2 PHE A 66 4.962 -7.498 -6.223 1.00 0.00 H new ATOM 0 HB3 PHE A 66 6.586 -7.019 -6.676 1.00 0.00 H new ATOM 0 HD1 PHE A 66 7.570 -8.352 -8.800 1.00 0.00 H new ATOM 0 HD2 PHE A 66 3.385 -7.780 -7.956 1.00 0.00 H new ATOM 0 HE1 PHE A 66 7.029 -8.832 -11.174 1.00 0.00 H new ATOM 0 HE2 PHE A 66 2.847 -8.256 -10.336 1.00 0.00 H new ATOM 0 HZ PHE A 66 4.664 -8.813 -11.937 1.00 0.00 H new ATOM 1040 N PRO A 67 8.251 -8.948 -4.384 1.00 0.00 N ATOM 1041 CA PRO A 67 8.807 -8.701 -3.067 1.00 0.00 C ATOM 1042 C PRO A 67 8.732 -7.204 -2.780 1.00 0.00 C ATOM 1043 O PRO A 67 9.326 -6.411 -3.501 1.00 0.00 O ATOM 1044 CB PRO A 67 10.252 -9.206 -3.130 1.00 0.00 C ATOM 1045 CG PRO A 67 10.617 -9.058 -4.608 1.00 0.00 C ATOM 1046 CD PRO A 67 9.294 -9.335 -5.322 1.00 0.00 C ATOM 0 HA PRO A 67 8.269 -9.208 -2.266 1.00 0.00 H new ATOM 0 HB2 PRO A 67 10.911 -8.617 -2.493 1.00 0.00 H new ATOM 0 HB3 PRO A 67 10.330 -10.242 -2.799 1.00 0.00 H new ATOM 0 HG2 PRO A 67 10.995 -8.060 -4.832 1.00 0.00 H new ATOM 0 HG3 PRO A 67 11.391 -9.766 -4.905 1.00 0.00 H new ATOM 0 HD2 PRO A 67 9.221 -8.762 -6.247 1.00 0.00 H new ATOM 0 HD3 PRO A 67 9.207 -10.388 -5.591 1.00 0.00 H new ATOM 1054 N ALA A 68 7.981 -6.805 -1.755 1.00 0.00 N ATOM 1055 CA ALA A 68 7.751 -5.406 -1.445 1.00 0.00 C ATOM 1056 C ALA A 68 8.120 -5.128 0.015 1.00 0.00 C ATOM 1057 O ALA A 68 8.701 -5.986 0.673 1.00 0.00 O ATOM 1058 CB ALA A 68 6.295 -5.117 -1.779 1.00 0.00 C ATOM 0 H ALA A 68 7.515 -7.450 -1.117 1.00 0.00 H new ATOM 0 HA ALA A 68 8.380 -4.737 -2.032 1.00 0.00 H new ATOM 0 HB1 ALA A 68 6.072 -4.072 -1.562 1.00 0.00 H new ATOM 0 HB2 ALA A 68 6.118 -5.313 -2.836 1.00 0.00 H new ATOM 0 HB3 ALA A 68 5.650 -5.758 -1.178 1.00 0.00 H new ATOM 1064 N PHE A 69 7.823 -3.921 0.517 1.00 0.00 N ATOM 1065 CA PHE A 69 8.165 -3.537 1.883 1.00 0.00 C ATOM 1066 C PHE A 69 7.342 -2.350 2.381 1.00 0.00 C ATOM 1067 O PHE A 69 7.149 -1.384 1.641 1.00 0.00 O ATOM 1068 CB PHE A 69 9.668 -3.221 1.988 1.00 0.00 C ATOM 1069 CG PHE A 69 10.392 -4.035 3.041 1.00 0.00 C ATOM 1070 CD1 PHE A 69 10.309 -3.672 4.397 1.00 0.00 C ATOM 1071 CD2 PHE A 69 11.108 -5.188 2.669 1.00 0.00 C ATOM 1072 CE1 PHE A 69 10.944 -4.453 5.376 1.00 0.00 C ATOM 1073 CE2 PHE A 69 11.759 -5.958 3.646 1.00 0.00 C ATOM 1074 CZ PHE A 69 11.678 -5.592 5.001 1.00 0.00 C ATOM 0 H PHE A 69 7.343 -3.193 -0.012 1.00 0.00 H new ATOM 0 HA PHE A 69 7.925 -4.386 2.523 1.00 0.00 H new ATOM 0 HB2 PHE A 69 10.136 -3.399 1.020 1.00 0.00 H new ATOM 0 HB3 PHE A 69 9.792 -2.162 2.212 1.00 0.00 H new ATOM 0 HD1 PHE A 69 9.756 -2.791 4.686 1.00 0.00 H new ATOM 0 HD2 PHE A 69 11.157 -5.481 1.631 1.00 0.00 H new ATOM 0 HE1 PHE A 69 10.869 -4.179 6.418 1.00 0.00 H new ATOM 0 HE2 PHE A 69 12.323 -6.833 3.356 1.00 0.00 H new ATOM 0 HZ PHE A 69 12.179 -6.185 5.752 1.00 0.00 H new ATOM 1084 N VAL A 70 6.882 -2.421 3.637 1.00 0.00 N ATOM 1085 CA VAL A 70 6.232 -1.333 4.361 1.00 0.00 C ATOM 1086 C VAL A 70 7.310 -0.589 5.156 1.00 0.00 C ATOM 1087 O VAL A 70 8.176 -1.224 5.752 1.00 0.00 O ATOM 1088 CB VAL A 70 5.069 -1.879 5.225 1.00 0.00 C ATOM 1089 CG1 VAL A 70 5.391 -1.904 6.716 1.00 0.00 C ATOM 1090 CG2 VAL A 70 3.794 -1.041 5.065 1.00 0.00 C ATOM 0 H VAL A 70 6.958 -3.273 4.193 1.00 0.00 H new ATOM 0 HA VAL A 70 5.767 -0.618 3.682 1.00 0.00 H new ATOM 0 HB VAL A 70 4.918 -2.896 4.862 1.00 0.00 H new ATOM 0 HG11 VAL A 70 4.536 -2.297 7.266 1.00 0.00 H new ATOM 0 HG12 VAL A 70 6.258 -2.541 6.890 1.00 0.00 H new ATOM 0 HG13 VAL A 70 5.609 -0.892 7.058 1.00 0.00 H new ATOM 0 HG21 VAL A 70 3.003 -1.459 5.688 1.00 0.00 H new ATOM 0 HG22 VAL A 70 3.993 -0.014 5.371 1.00 0.00 H new ATOM 0 HG23 VAL A 70 3.479 -1.054 4.022 1.00 0.00 H new