USER MOD reduce.3.24.130724 H: found=0, std=0, add=667, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 669 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 79 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0501) USER MOD Set 1.2: A 94 SER OG : rot 64:sc= 0.51 USER MOD Set 1.3: A 120 HIS : no HE2:sc= -0.986 K(o=-0.48,f=-8.3!) USER MOD Set 2.1: A 67 MET CE :methyl 172:sc= -0.384 (180deg=-0.48) USER MOD Set 2.2: A 90 SER OG : rot -150:sc= 0 USER MOD Single : A 38 TYR OH : rot 30:sc= 0 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0.0775 USER MOD Single : A 45 TYR OH : rot 57:sc= 1.25 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 MET CE :methyl 164:sc= -0.564 (180deg=-1.12) USER MOD Single : A 58 GLN : amide:sc= -0.415 X(o=-0.42,f=-0.68) USER MOD Single : A 65 MET CE :methyl -162:sc= -0.145 (180deg=-0.649) USER MOD Single : A 70 SER OG : rot -85:sc= 1.43 USER MOD Single : A 72 GLN : amide:sc=-0.00151 X(o=-0.0015,f=0) USER MOD Single : A 81 THR OG1 : rot 180:sc= -0.297 USER MOD Single : A 83 THR OG1 : rot -67:sc= 0.935 USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 TYR OH : rot 81:sc= 0.931 USER MOD Single : A 107 GLN : amide:sc= -1.01 K(o=-1,f=-6!) USER MOD Single : A 112 GLN : amide:sc= -0.422 K(o=-0.42,f=-6.5!) USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 ASN : amide:sc= -1.09 X(o=-1.1,f=-1.3) USER MOD Single : A 124 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 129 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 100 N LEU A 36 4.003 -10.609 1.522 1.00 0.00 N ATOM 101 CA LEU A 36 2.622 -10.682 1.094 1.00 0.00 C ATOM 102 C LEU A 36 2.180 -9.320 0.559 1.00 0.00 C ATOM 103 O LEU A 36 2.905 -8.327 0.549 1.00 0.00 O ATOM 104 CB LEU A 36 1.708 -11.237 2.210 1.00 0.00 C ATOM 105 CG LEU A 36 1.887 -10.586 3.583 1.00 0.00 C ATOM 106 CD1 LEU A 36 1.602 -9.095 3.571 1.00 0.00 C ATOM 107 CD2 LEU A 36 1.036 -11.275 4.653 1.00 0.00 C ATOM 0 HA LEU A 36 2.532 -11.396 0.275 1.00 0.00 H new ATOM 0 HB2 LEU A 36 0.670 -11.116 1.901 1.00 0.00 H new ATOM 0 HB3 LEU A 36 1.889 -12.307 2.307 1.00 0.00 H new ATOM 0 HG LEU A 36 2.939 -10.716 3.835 1.00 0.00 H new ATOM 0 HD11 LEU A 36 1.746 -8.689 4.572 1.00 0.00 H new ATOM 0 HD12 LEU A 36 2.282 -8.600 2.878 1.00 0.00 H new ATOM 0 HD13 LEU A 36 0.573 -8.924 3.254 1.00 0.00 H new ATOM 0 HD21 LEU A 36 1.191 -10.784 5.613 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -0.017 -11.210 4.378 1.00 0.00 H new ATOM 0 HD23 LEU A 36 1.327 -12.323 4.730 1.00 0.00 H new ATOM 119 N PHE A 37 0.960 -9.315 0.062 1.00 0.00 N ATOM 120 CA PHE A 37 0.365 -8.235 -0.708 1.00 0.00 C ATOM 121 C PHE A 37 -1.133 -8.502 -0.775 1.00 0.00 C ATOM 122 O PHE A 37 -1.540 -9.665 -0.696 1.00 0.00 O ATOM 123 CB PHE A 37 0.969 -8.228 -2.121 1.00 0.00 C ATOM 124 CG PHE A 37 0.699 -6.977 -2.925 1.00 0.00 C ATOM 125 CD1 PHE A 37 -0.456 -6.872 -3.726 1.00 0.00 C ATOM 126 CD2 PHE A 37 1.641 -5.931 -2.917 1.00 0.00 C ATOM 127 CE1 PHE A 37 -0.637 -5.749 -4.549 1.00 0.00 C ATOM 128 CE2 PHE A 37 1.444 -4.793 -3.715 1.00 0.00 C ATOM 129 CZ PHE A 37 0.328 -4.731 -4.570 1.00 0.00 C ATOM 0 H PHE A 37 0.323 -10.101 0.189 1.00 0.00 H new ATOM 0 HA PHE A 37 0.557 -7.266 -0.248 1.00 0.00 H new ATOM 0 HB2 PHE A 37 2.047 -8.364 -2.039 1.00 0.00 H new ATOM 0 HB3 PHE A 37 0.580 -9.086 -2.670 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -1.201 -7.654 -3.707 1.00 0.00 H new ATOM 0 HD2 PHE A 37 2.520 -6.004 -2.294 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -1.520 -5.669 -5.166 1.00 0.00 H new ATOM 0 HE2 PHE A 37 2.144 -3.971 -3.673 1.00 0.00 H new ATOM 0 HZ PHE A 37 0.214 -3.896 -5.245 1.00 0.00 H new ATOM 139 N TYR A 38 -1.933 -7.455 -0.933 1.00 0.00 N ATOM 140 CA TYR A 38 -3.380 -7.503 -1.044 1.00 0.00 C ATOM 141 C TYR A 38 -3.833 -6.417 -2.014 1.00 0.00 C ATOM 142 O TYR A 38 -3.021 -5.647 -2.527 1.00 0.00 O ATOM 143 CB TYR A 38 -3.992 -7.256 0.337 1.00 0.00 C ATOM 144 CG TYR A 38 -3.689 -8.336 1.342 1.00 0.00 C ATOM 145 CD1 TYR A 38 -4.512 -9.470 1.409 1.00 0.00 C ATOM 146 CD2 TYR A 38 -2.546 -8.234 2.152 1.00 0.00 C ATOM 147 CE1 TYR A 38 -4.171 -10.536 2.249 1.00 0.00 C ATOM 148 CE2 TYR A 38 -2.151 -9.340 2.936 1.00 0.00 C ATOM 149 CZ TYR A 38 -2.957 -10.508 2.965 1.00 0.00 C ATOM 150 OH TYR A 38 -2.582 -11.614 3.666 1.00 0.00 O ATOM 0 H TYR A 38 -1.569 -6.504 -0.990 1.00 0.00 H new ATOM 0 HA TYR A 38 -3.702 -8.477 -1.412 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -3.626 -6.304 0.721 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -5.073 -7.163 0.233 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -5.410 -9.520 0.811 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -1.974 -7.318 2.175 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -4.838 -11.380 2.349 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -1.238 -9.297 3.512 1.00 0.00 H new ATOM 0 HH TYR A 38 -2.935 -12.415 3.226 1.00 0.00 H new ATOM 160 N THR A 39 -5.135 -6.311 -2.238 1.00 0.00 N ATOM 161 CA THR A 39 -5.731 -5.236 -3.005 1.00 0.00 C ATOM 162 C THR A 39 -7.028 -4.798 -2.309 1.00 0.00 C ATOM 163 O THR A 39 -7.394 -5.413 -1.300 1.00 0.00 O ATOM 164 CB THR A 39 -5.935 -5.708 -4.466 1.00 0.00 C ATOM 165 OG1 THR A 39 -7.067 -6.560 -4.485 1.00 0.00 O ATOM 166 CG2 THR A 39 -4.766 -6.461 -5.112 1.00 0.00 C ATOM 0 H THR A 39 -5.815 -6.983 -1.884 1.00 0.00 H new ATOM 0 HA THR A 39 -5.082 -4.361 -3.050 1.00 0.00 H new ATOM 0 HB THR A 39 -6.045 -4.797 -5.054 1.00 0.00 H new ATOM 0 HG1 THR A 39 -7.224 -6.875 -5.400 1.00 0.00 H new ATOM 0 HG21 THR A 39 -5.031 -6.738 -6.132 1.00 0.00 H new ATOM 0 HG22 THR A 39 -3.884 -5.820 -5.127 1.00 0.00 H new ATOM 0 HG23 THR A 39 -4.550 -7.361 -4.536 1.00 0.00 H new ATOM 174 N PRO A 40 -7.751 -3.768 -2.789 1.00 0.00 N ATOM 175 CA PRO A 40 -8.911 -3.276 -2.073 1.00 0.00 C ATOM 176 C PRO A 40 -10.099 -4.221 -2.214 1.00 0.00 C ATOM 177 O PRO A 40 -11.059 -4.104 -1.466 1.00 0.00 O ATOM 178 CB PRO A 40 -9.226 -1.923 -2.691 1.00 0.00 C ATOM 179 CG PRO A 40 -8.768 -2.064 -4.133 1.00 0.00 C ATOM 180 CD PRO A 40 -7.699 -3.150 -4.108 1.00 0.00 C ATOM 0 HA PRO A 40 -8.711 -3.201 -1.004 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -10.290 -1.694 -2.630 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -8.697 -1.118 -2.181 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -9.597 -2.342 -4.784 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -8.366 -1.124 -4.512 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -7.882 -3.889 -4.888 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -6.713 -2.725 -4.296 1.00 0.00 H new ATOM 188 N GLY A 41 -10.040 -5.173 -3.146 1.00 0.00 N ATOM 189 CA GLY A 41 -10.962 -6.279 -3.157 1.00 0.00 C ATOM 190 C GLY A 41 -10.450 -7.383 -2.258 1.00 0.00 C ATOM 191 O GLY A 41 -11.224 -7.926 -1.481 1.00 0.00 O ATOM 0 H GLY A 41 -9.355 -5.188 -3.901 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -11.944 -5.949 -2.819 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -11.084 -6.653 -4.174 1.00 0.00 H new ATOM 195 N GLU A 42 -9.164 -7.739 -2.336 1.00 0.00 N ATOM 196 CA GLU A 42 -8.708 -8.958 -1.687 1.00 0.00 C ATOM 197 C GLU A 42 -8.872 -8.870 -0.166 1.00 0.00 C ATOM 198 O GLU A 42 -9.140 -9.892 0.460 1.00 0.00 O ATOM 199 CB GLU A 42 -7.265 -9.300 -2.097 1.00 0.00 C ATOM 200 CG GLU A 42 -7.189 -9.867 -3.530 1.00 0.00 C ATOM 201 CD GLU A 42 -5.783 -10.326 -3.946 1.00 0.00 C ATOM 202 OE1 GLU A 42 -5.162 -11.085 -3.173 1.00 0.00 O ATOM 203 OE2 GLU A 42 -5.332 -10.023 -5.079 1.00 0.00 O ATOM 0 H GLU A 42 -8.443 -7.213 -2.829 1.00 0.00 H new ATOM 0 HA GLU A 42 -9.339 -9.779 -2.028 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -6.647 -8.405 -2.028 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -6.852 -10.027 -1.397 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -7.875 -10.710 -3.613 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -7.534 -9.106 -4.230 1.00 0.00 H new ATOM 210 N ILE A 43 -8.772 -7.679 0.439 1.00 0.00 N ATOM 211 CA ILE A 43 -8.941 -7.498 1.882 1.00 0.00 C ATOM 212 C ILE A 43 -10.409 -7.708 2.303 1.00 0.00 C ATOM 213 O ILE A 43 -10.642 -8.042 3.466 1.00 0.00 O ATOM 214 CB ILE A 43 -8.335 -6.125 2.295 1.00 0.00 C ATOM 215 CG1 ILE A 43 -6.812 -6.181 2.005 1.00 0.00 C ATOM 216 CG2 ILE A 43 -8.606 -5.737 3.762 1.00 0.00 C ATOM 217 CD1 ILE A 43 -5.888 -5.175 2.704 1.00 0.00 C ATOM 0 H ILE A 43 -8.571 -6.814 -0.062 1.00 0.00 H new ATOM 0 HA ILE A 43 -8.391 -8.262 2.431 1.00 0.00 H new ATOM 0 HB ILE A 43 -8.823 -5.345 1.710 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -6.464 -7.182 2.261 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -6.676 -6.062 0.930 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -8.152 -4.769 3.972 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -9.681 -5.678 3.930 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -8.177 -6.490 4.423 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -4.858 -5.350 2.393 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -6.182 -4.161 2.432 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -5.967 -5.298 3.784 1.00 0.00 H new ATOM 229 N LEU A 44 -11.383 -7.585 1.390 1.00 0.00 N ATOM 230 CA LEU A 44 -12.814 -7.621 1.716 1.00 0.00 C ATOM 231 C LEU A 44 -13.461 -8.919 1.243 1.00 0.00 C ATOM 232 O LEU A 44 -14.252 -9.517 1.972 1.00 0.00 O ATOM 233 CB LEU A 44 -13.592 -6.420 1.145 1.00 0.00 C ATOM 234 CG LEU A 44 -12.867 -5.066 1.103 1.00 0.00 C ATOM 235 CD1 LEU A 44 -13.715 -4.049 0.342 1.00 0.00 C ATOM 236 CD2 LEU A 44 -12.565 -4.548 2.496 1.00 0.00 C ATOM 0 H LEU A 44 -11.197 -7.457 0.395 1.00 0.00 H new ATOM 0 HA LEU A 44 -12.869 -7.565 2.803 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -13.900 -6.669 0.130 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -14.502 -6.297 1.733 1.00 0.00 H new ATOM 0 HG LEU A 44 -11.917 -5.211 0.589 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -13.197 -3.091 0.315 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -13.879 -4.402 -0.676 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -14.675 -3.928 0.843 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -12.052 -3.589 2.424 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -13.497 -4.421 3.047 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -11.929 -5.261 3.019 1.00 0.00 H new ATOM 248 N TYR A 45 -13.146 -9.322 0.013 1.00 0.00 N ATOM 249 CA TYR A 45 -13.796 -10.387 -0.745 1.00 0.00 C ATOM 250 C TYR A 45 -13.045 -11.722 -0.678 1.00 0.00 C ATOM 251 O TYR A 45 -13.556 -12.733 -1.163 1.00 0.00 O ATOM 252 CB TYR A 45 -13.867 -9.947 -2.215 1.00 0.00 C ATOM 253 CG TYR A 45 -14.827 -8.815 -2.529 1.00 0.00 C ATOM 254 CD1 TYR A 45 -14.473 -7.476 -2.287 1.00 0.00 C ATOM 255 CD2 TYR A 45 -16.091 -9.114 -3.063 1.00 0.00 C ATOM 256 CE1 TYR A 45 -15.374 -6.439 -2.602 1.00 0.00 C ATOM 257 CE2 TYR A 45 -17.005 -8.090 -3.357 1.00 0.00 C ATOM 258 CZ TYR A 45 -16.650 -6.745 -3.142 1.00 0.00 C ATOM 259 OH TYR A 45 -17.578 -5.779 -3.376 1.00 0.00 O ATOM 0 H TYR A 45 -12.386 -8.888 -0.510 1.00 0.00 H new ATOM 0 HA TYR A 45 -14.782 -10.548 -0.308 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -12.868 -9.647 -2.532 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -14.147 -10.811 -2.818 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -13.509 -7.242 -1.859 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -16.363 -10.143 -3.249 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -15.093 -5.410 -2.432 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -17.981 -8.334 -3.748 1.00 0.00 H new ATOM 0 HH TYR A 45 -17.200 -5.100 -3.974 1.00 0.00 H new ATOM 269 N GLY A 46 -11.824 -11.729 -0.138 1.00 0.00 N ATOM 270 CA GLY A 46 -10.955 -12.897 -0.120 1.00 0.00 C ATOM 271 C GLY A 46 -9.696 -12.626 -0.920 1.00 0.00 C ATOM 272 O GLY A 46 -9.761 -12.139 -2.047 1.00 0.00 O ATOM 0 H GLY A 46 -11.410 -10.909 0.304 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -10.694 -13.149 0.908 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -11.481 -13.757 -0.536 1.00 0.00 H new ATOM 276 N LYS A 47 -8.530 -12.971 -0.383 1.00 0.00 N ATOM 277 CA LYS A 47 -7.327 -13.141 -1.172 1.00 0.00 C ATOM 278 C LYS A 47 -7.562 -14.220 -2.212 1.00 0.00 C ATOM 279 O LYS A 47 -7.954 -15.333 -1.860 1.00 0.00 O ATOM 280 CB LYS A 47 -6.252 -13.519 -0.194 1.00 0.00 C ATOM 281 CG LYS A 47 -4.871 -13.606 -0.835 1.00 0.00 C ATOM 282 CD LYS A 47 -3.888 -13.173 0.236 1.00 0.00 C ATOM 283 CE LYS A 47 -2.404 -13.424 -0.027 1.00 0.00 C ATOM 284 NZ LYS A 47 -2.056 -14.842 -0.305 1.00 0.00 N ATOM 0 H LYS A 47 -8.398 -13.140 0.614 1.00 0.00 H new ATOM 0 HA LYS A 47 -7.040 -12.241 -1.715 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -6.227 -12.786 0.612 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -6.499 -14.480 0.256 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -4.660 -14.621 -1.172 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -4.805 -12.960 -1.710 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -4.024 -12.105 0.405 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -4.156 -13.679 1.163 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -2.090 -12.814 -0.874 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -1.833 -13.086 0.838 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -1.033 -14.922 -0.472 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -2.321 -15.431 0.510 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -2.570 -15.167 -1.148 1.00 0.00 H new ATOM 385 N MET A 53 -6.760 -14.587 4.723 1.00 0.00 N ATOM 386 CA MET A 53 -6.979 -13.138 4.785 1.00 0.00 C ATOM 387 C MET A 53 -5.913 -12.524 5.709 1.00 0.00 C ATOM 388 O MET A 53 -5.236 -13.284 6.410 1.00 0.00 O ATOM 389 CB MET A 53 -8.432 -12.869 5.221 1.00 0.00 C ATOM 390 CG MET A 53 -9.435 -13.388 4.180 1.00 0.00 C ATOM 391 SD MET A 53 -11.017 -12.497 4.101 1.00 0.00 S ATOM 392 CE MET A 53 -10.624 -11.112 2.991 1.00 0.00 C ATOM 0 HA MET A 53 -6.862 -12.659 3.813 1.00 0.00 H new ATOM 0 HB2 MET A 53 -8.620 -13.350 6.181 1.00 0.00 H new ATOM 0 HB3 MET A 53 -8.578 -11.799 5.367 1.00 0.00 H new ATOM 0 HG2 MET A 53 -8.966 -13.346 3.197 1.00 0.00 H new ATOM 0 HG3 MET A 53 -9.640 -14.438 4.391 1.00 0.00 H new ATOM 0 HE1 MET A 53 -11.549 -10.659 2.633 1.00 0.00 H new ATOM 0 HE2 MET A 53 -10.041 -10.367 3.532 1.00 0.00 H new ATOM 0 HE3 MET A 53 -10.047 -11.479 2.142 1.00 0.00 H new ATOM 402 N PRO A 54 -5.702 -11.193 5.746 1.00 0.00 N ATOM 403 CA PRO A 54 -4.697 -10.620 6.631 1.00 0.00 C ATOM 404 C PRO A 54 -5.181 -10.631 8.086 1.00 0.00 C ATOM 405 O PRO A 54 -6.344 -10.923 8.382 1.00 0.00 O ATOM 406 CB PRO A 54 -4.467 -9.197 6.116 1.00 0.00 C ATOM 407 CG PRO A 54 -5.831 -8.813 5.553 1.00 0.00 C ATOM 408 CD PRO A 54 -6.343 -10.132 4.979 1.00 0.00 C ATOM 0 HA PRO A 54 -3.770 -11.193 6.626 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -4.156 -8.524 6.915 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -3.691 -9.165 5.351 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -6.493 -8.424 6.327 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -5.750 -8.042 4.786 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -7.428 -10.195 5.061 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -6.097 -10.216 3.920 1.00 0.00 H new ATOM 416 N GLU A 55 -4.287 -10.283 9.000 1.00 0.00 N ATOM 417 CA GLU A 55 -4.598 -9.899 10.367 1.00 0.00 C ATOM 418 C GLU A 55 -4.833 -8.389 10.383 1.00 0.00 C ATOM 419 O GLU A 55 -4.106 -7.643 9.723 1.00 0.00 O ATOM 420 CB GLU A 55 -3.408 -10.302 11.247 1.00 0.00 C ATOM 421 CG GLU A 55 -3.534 -11.765 11.682 1.00 0.00 C ATOM 422 CD GLU A 55 -2.213 -12.304 12.224 1.00 0.00 C ATOM 423 OE1 GLU A 55 -1.393 -12.826 11.434 1.00 0.00 O ATOM 424 OE2 GLU A 55 -2.002 -12.310 13.452 1.00 0.00 O ATOM 0 H GLU A 55 -3.287 -10.260 8.801 1.00 0.00 H new ATOM 0 HA GLU A 55 -5.492 -10.392 10.748 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -2.477 -10.158 10.698 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -3.363 -9.658 12.125 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -4.305 -11.853 12.447 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -3.855 -12.371 10.835 1.00 0.00 H new ATOM 431 N VAL A 56 -5.828 -7.923 11.132 1.00 0.00 N ATOM 432 CA VAL A 56 -6.105 -6.504 11.366 1.00 0.00 C ATOM 433 C VAL A 56 -5.121 -5.931 12.417 1.00 0.00 C ATOM 434 O VAL A 56 -5.152 -4.752 12.767 1.00 0.00 O ATOM 435 CB VAL A 56 -7.621 -6.351 11.627 1.00 0.00 C ATOM 436 CG1 VAL A 56 -8.048 -4.923 11.928 1.00 0.00 C ATOM 437 CG2 VAL A 56 -8.438 -6.791 10.392 1.00 0.00 C ATOM 0 H VAL A 56 -6.486 -8.539 11.609 1.00 0.00 H new ATOM 0 HA VAL A 56 -5.908 -5.873 10.499 1.00 0.00 H new ATOM 0 HB VAL A 56 -7.814 -6.978 12.497 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -9.124 -4.894 12.100 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -7.528 -4.568 12.818 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -7.798 -4.283 11.082 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -9.502 -6.675 10.599 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -8.165 -6.173 9.536 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -8.224 -7.836 10.168 1.00 0.00 H new ATOM 447 N GLY A 57 -4.207 -6.755 12.922 1.00 0.00 N ATOM 448 CA GLY A 57 -3.027 -6.345 13.661 1.00 0.00 C ATOM 449 C GLY A 57 -1.761 -6.950 13.084 1.00 0.00 C ATOM 450 O GLY A 57 -1.010 -7.595 13.824 1.00 0.00 O ATOM 0 H GLY A 57 -4.276 -7.768 12.821 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -2.949 -5.258 13.647 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -3.130 -6.644 14.704 1.00 0.00 H new ATOM 454 N GLN A 58 -1.480 -6.718 11.795 1.00 0.00 N ATOM 455 CA GLN A 58 -0.149 -7.015 11.255 1.00 0.00 C ATOM 456 C GLN A 58 0.297 -5.945 10.253 1.00 0.00 C ATOM 457 O GLN A 58 -0.415 -4.966 10.007 1.00 0.00 O ATOM 458 CB GLN A 58 -0.105 -8.437 10.661 1.00 0.00 C ATOM 459 CG GLN A 58 -0.761 -8.468 9.276 1.00 0.00 C ATOM 460 CD GLN A 58 -0.783 -9.812 8.580 1.00 0.00 C ATOM 461 OE1 GLN A 58 -0.345 -10.838 9.078 1.00 0.00 O ATOM 462 NE2 GLN A 58 -1.320 -9.831 7.372 1.00 0.00 N ATOM 0 H GLN A 58 -2.141 -6.334 11.120 1.00 0.00 H new ATOM 0 HA GLN A 58 0.569 -6.989 12.075 1.00 0.00 H new ATOM 0 HB2 GLN A 58 0.929 -8.773 10.586 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -0.618 -9.130 11.327 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -1.788 -8.116 9.375 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -0.241 -7.757 8.634 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -1.684 -8.971 6.962 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -1.370 -10.706 6.850 1.00 0.00 H new ATOM 471 N ARG A 59 1.461 -6.169 9.628 1.00 0.00 N ATOM 472 CA ARG A 59 1.966 -5.360 8.526 1.00 0.00 C ATOM 473 C ARG A 59 1.783 -6.095 7.199 1.00 0.00 C ATOM 474 O ARG A 59 1.915 -7.321 7.137 1.00 0.00 O ATOM 475 CB ARG A 59 3.410 -4.898 8.773 1.00 0.00 C ATOM 476 CG ARG A 59 4.484 -5.989 8.906 1.00 0.00 C ATOM 477 CD ARG A 59 4.490 -6.710 10.261 1.00 0.00 C ATOM 478 NE ARG A 59 5.822 -7.264 10.517 1.00 0.00 N ATOM 479 CZ ARG A 59 6.332 -7.669 11.677 1.00 0.00 C ATOM 480 NH1 ARG A 59 5.562 -7.996 12.713 1.00 0.00 N ATOM 481 NH2 ARG A 59 7.647 -7.731 11.802 1.00 0.00 N ATOM 0 H ARG A 59 2.085 -6.934 9.884 1.00 0.00 H new ATOM 0 HA ARG A 59 1.377 -4.445 8.466 1.00 0.00 H new ATOM 0 HB2 ARG A 59 3.698 -4.238 7.954 1.00 0.00 H new ATOM 0 HB3 ARG A 59 3.422 -4.300 9.684 1.00 0.00 H new ATOM 0 HG2 ARG A 59 4.336 -6.726 8.117 1.00 0.00 H new ATOM 0 HG3 ARG A 59 5.464 -5.540 8.743 1.00 0.00 H new ATOM 0 HD2 ARG A 59 4.215 -6.016 11.055 1.00 0.00 H new ATOM 0 HD3 ARG A 59 3.747 -7.507 10.263 1.00 0.00 H new ATOM 0 HE ARG A 59 6.434 -7.350 9.705 1.00 0.00 H new ATOM 0 HH11 ARG A 59 4.547 -7.940 12.632 1.00 0.00 H new ATOM 0 HH12 ARG A 59 5.987 -8.303 13.588 1.00 0.00 H new ATOM 0 HH21 ARG A 59 8.247 -7.471 11.019 1.00 0.00 H new ATOM 0 HH22 ARG A 59 8.062 -8.039 12.682 1.00 0.00 H new ATOM 495 N LEU A 60 1.419 -5.368 6.143 1.00 0.00 N ATOM 496 CA LEU A 60 1.126 -5.894 4.817 1.00 0.00 C ATOM 497 C LEU A 60 1.372 -4.838 3.740 1.00 0.00 C ATOM 498 O LEU A 60 1.753 -3.715 4.064 1.00 0.00 O ATOM 499 CB LEU A 60 -0.291 -6.520 4.749 1.00 0.00 C ATOM 500 CG LEU A 60 -1.567 -5.841 5.290 1.00 0.00 C ATOM 501 CD1 LEU A 60 -1.569 -5.756 6.803 1.00 0.00 C ATOM 502 CD2 LEU A 60 -1.955 -4.477 4.727 1.00 0.00 C ATOM 0 H LEU A 60 1.317 -4.354 6.194 1.00 0.00 H new ATOM 0 HA LEU A 60 1.820 -6.710 4.613 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -0.481 -6.727 3.696 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -0.222 -7.483 5.255 1.00 0.00 H new ATOM 0 HG LEU A 60 -2.331 -6.523 4.917 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -2.486 -5.271 7.139 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -1.514 -6.760 7.224 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -0.709 -5.176 7.136 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -2.872 -4.133 5.206 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -1.155 -3.763 4.920 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -2.116 -4.560 3.652 1.00 0.00 H new ATOM 514 N ARG A 61 1.137 -5.176 2.467 1.00 0.00 N ATOM 515 CA ARG A 61 1.208 -4.302 1.294 1.00 0.00 C ATOM 516 C ARG A 61 -0.111 -4.289 0.555 1.00 0.00 C ATOM 517 O ARG A 61 -0.767 -5.333 0.547 1.00 0.00 O ATOM 518 CB ARG A 61 2.278 -4.808 0.313 1.00 0.00 C ATOM 519 CG ARG A 61 3.706 -4.435 0.666 1.00 0.00 C ATOM 520 CD ARG A 61 4.653 -4.308 -0.541 1.00 0.00 C ATOM 521 NE ARG A 61 5.666 -5.379 -0.648 1.00 0.00 N ATOM 522 CZ ARG A 61 6.996 -5.201 -0.738 1.00 0.00 C ATOM 523 NH1 ARG A 61 7.563 -4.033 -0.462 1.00 0.00 N ATOM 524 NH2 ARG A 61 7.771 -6.202 -1.136 1.00 0.00 N ATOM 0 H ARG A 61 0.875 -6.129 2.214 1.00 0.00 H new ATOM 0 HA ARG A 61 1.453 -3.301 1.650 1.00 0.00 H new ATOM 0 HB2 ARG A 61 2.208 -5.894 0.252 1.00 0.00 H new ATOM 0 HB3 ARG A 61 2.052 -4.418 -0.679 1.00 0.00 H new ATOM 0 HG2 ARG A 61 3.697 -3.488 1.205 1.00 0.00 H new ATOM 0 HG3 ARG A 61 4.106 -5.186 1.347 1.00 0.00 H new ATOM 0 HD2 ARG A 61 4.057 -4.298 -1.453 1.00 0.00 H new ATOM 0 HD3 ARG A 61 5.165 -3.347 -0.484 1.00 0.00 H new ATOM 0 HE ARG A 61 5.325 -6.340 -0.654 1.00 0.00 H new ATOM 0 HH11 ARG A 61 6.987 -3.242 -0.173 1.00 0.00 H new ATOM 0 HH12 ARG A 61 8.575 -3.926 -0.539 1.00 0.00 H new ATOM 0 HH21 ARG A 61 7.358 -7.104 -1.373 1.00 0.00 H new ATOM 0 HH22 ARG A 61 8.780 -6.069 -1.205 1.00 0.00 H new ATOM 538 N VAL A 62 -0.460 -3.196 -0.147 1.00 0.00 N ATOM 539 CA VAL A 62 -1.598 -3.197 -1.057 1.00 0.00 C ATOM 540 C VAL A 62 -1.589 -2.316 -2.296 1.00 0.00 C ATOM 541 O VAL A 62 -1.457 -1.108 -2.224 1.00 0.00 O ATOM 542 CB VAL A 62 -2.897 -3.078 -0.280 1.00 0.00 C ATOM 543 CG1 VAL A 62 -3.113 -2.533 1.090 1.00 0.00 C ATOM 544 CG2 VAL A 62 -4.158 -2.723 -1.052 1.00 0.00 C ATOM 0 H VAL A 62 0.035 -2.306 -0.095 1.00 0.00 H new ATOM 0 HA VAL A 62 -1.496 -4.172 -1.533 1.00 0.00 H new ATOM 0 HB VAL A 62 -2.659 -4.123 -0.079 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -4.171 -2.596 1.344 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -2.532 -3.112 1.808 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -2.794 -1.491 1.122 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -5.003 -2.674 -0.365 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -4.028 -1.755 -1.537 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -4.348 -3.485 -1.808 1.00 0.00 H new ATOM 554 N GLY A 63 -1.869 -2.923 -3.443 1.00 0.00 N ATOM 555 CA GLY A 63 -2.082 -2.237 -4.702 1.00 0.00 C ATOM 556 C GLY A 63 -3.531 -1.794 -4.838 1.00 0.00 C ATOM 557 O GLY A 63 -4.444 -2.531 -4.461 1.00 0.00 O ATOM 0 H GLY A 63 -1.956 -3.936 -3.520 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -1.425 -1.370 -4.764 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -1.819 -2.896 -5.529 1.00 0.00 H new ATOM 561 N GLY A 64 -3.738 -0.611 -5.400 1.00 0.00 N ATOM 562 CA GLY A 64 -5.055 -0.149 -5.864 1.00 0.00 C ATOM 563 C GLY A 64 -5.005 1.212 -6.553 1.00 0.00 C ATOM 564 O GLY A 64 -3.934 1.817 -6.621 1.00 0.00 O ATOM 0 H GLY A 64 -2.993 0.069 -5.552 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -5.468 -0.884 -6.555 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -5.734 -0.094 -5.013 1.00 0.00 H new ATOM 568 N MET A 65 -6.148 1.698 -7.054 1.00 0.00 N ATOM 569 CA MET A 65 -6.261 2.960 -7.788 1.00 0.00 C ATOM 570 C MET A 65 -6.842 4.045 -6.883 1.00 0.00 C ATOM 571 O MET A 65 -7.836 3.812 -6.208 1.00 0.00 O ATOM 572 CB MET A 65 -7.144 2.763 -9.029 1.00 0.00 C ATOM 573 CG MET A 65 -6.994 3.961 -9.979 1.00 0.00 C ATOM 574 SD MET A 65 -7.762 3.814 -11.613 1.00 0.00 S ATOM 575 CE MET A 65 -6.979 2.291 -12.208 1.00 0.00 C ATOM 0 H MET A 65 -7.039 1.211 -6.957 1.00 0.00 H new ATOM 0 HA MET A 65 -5.269 3.276 -8.111 1.00 0.00 H new ATOM 0 HB2 MET A 65 -6.863 1.844 -9.543 1.00 0.00 H new ATOM 0 HB3 MET A 65 -8.186 2.655 -8.730 1.00 0.00 H new ATOM 0 HG2 MET A 65 -7.411 4.839 -9.486 1.00 0.00 H new ATOM 0 HG3 MET A 65 -5.930 4.150 -10.120 1.00 0.00 H new ATOM 0 HE1 MET A 65 -7.085 2.227 -13.291 1.00 0.00 H new ATOM 0 HE2 MET A 65 -5.921 2.300 -11.947 1.00 0.00 H new ATOM 0 HE3 MET A 65 -7.460 1.430 -11.745 1.00 0.00 H new ATOM 585 N VAL A 66 -6.215 5.216 -6.803 1.00 0.00 N ATOM 586 CA VAL A 66 -6.610 6.306 -5.907 1.00 0.00 C ATOM 587 C VAL A 66 -7.977 6.866 -6.344 1.00 0.00 C ATOM 588 O VAL A 66 -8.168 7.173 -7.530 1.00 0.00 O ATOM 589 CB VAL A 66 -5.519 7.397 -5.998 1.00 0.00 C ATOM 590 CG1 VAL A 66 -5.834 8.659 -5.178 1.00 0.00 C ATOM 591 CG2 VAL A 66 -4.164 6.840 -5.550 1.00 0.00 C ATOM 0 H VAL A 66 -5.399 5.441 -7.372 1.00 0.00 H new ATOM 0 HA VAL A 66 -6.705 5.955 -4.879 1.00 0.00 H new ATOM 0 HB VAL A 66 -5.488 7.692 -7.047 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -5.023 9.379 -5.292 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -6.764 9.101 -5.534 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -5.938 8.393 -4.126 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -3.408 7.622 -5.621 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -4.235 6.496 -4.518 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -3.884 6.005 -6.192 1.00 0.00 H new ATOM 601 N MET A 67 -8.911 7.040 -5.399 1.00 0.00 N ATOM 602 CA MET A 67 -10.181 7.733 -5.638 1.00 0.00 C ATOM 603 C MET A 67 -9.924 9.198 -6.027 1.00 0.00 C ATOM 604 O MET A 67 -9.160 9.866 -5.319 1.00 0.00 O ATOM 605 CB MET A 67 -11.058 7.697 -4.379 1.00 0.00 C ATOM 606 CG MET A 67 -11.892 6.433 -4.274 1.00 0.00 C ATOM 607 SD MET A 67 -12.994 6.418 -2.840 1.00 0.00 S ATOM 608 CE MET A 67 -13.401 4.661 -2.918 1.00 0.00 C ATOM 0 H MET A 67 -8.805 6.702 -4.443 1.00 0.00 H new ATOM 0 HA MET A 67 -10.696 7.224 -6.452 1.00 0.00 H new ATOM 0 HB2 MET A 67 -10.422 7.781 -3.497 1.00 0.00 H new ATOM 0 HB3 MET A 67 -11.719 8.563 -4.379 1.00 0.00 H new ATOM 0 HG2 MET A 67 -12.486 6.322 -5.181 1.00 0.00 H new ATOM 0 HG3 MET A 67 -11.227 5.571 -4.221 1.00 0.00 H new ATOM 0 HE1 MET A 67 -13.970 4.380 -2.032 1.00 0.00 H new ATOM 0 HE2 MET A 67 -13.997 4.465 -3.809 1.00 0.00 H new ATOM 0 HE3 MET A 67 -12.482 4.076 -2.960 1.00 0.00 H new ATOM 618 N PRO A 68 -10.556 9.735 -7.088 1.00 0.00 N ATOM 619 CA PRO A 68 -10.442 11.149 -7.417 1.00 0.00 C ATOM 620 C PRO A 68 -11.060 11.968 -6.283 1.00 0.00 C ATOM 621 O PRO A 68 -12.176 11.675 -5.843 1.00 0.00 O ATOM 622 CB PRO A 68 -11.179 11.354 -8.745 1.00 0.00 C ATOM 623 CG PRO A 68 -11.844 10.016 -9.076 1.00 0.00 C ATOM 624 CD PRO A 68 -11.644 9.136 -7.846 1.00 0.00 C ATOM 0 HA PRO A 68 -9.407 11.473 -7.525 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -11.922 12.147 -8.659 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -10.486 11.650 -9.533 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -12.904 10.149 -9.293 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -11.392 9.563 -9.958 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -12.555 9.090 -7.249 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -11.400 8.114 -8.135 1.00 0.00 H new ATOM 632 N GLY A 69 -10.350 12.988 -5.800 1.00 0.00 N ATOM 633 CA GLY A 69 -10.822 13.804 -4.691 1.00 0.00 C ATOM 634 C GLY A 69 -11.002 13.024 -3.386 1.00 0.00 C ATOM 635 O GLY A 69 -11.875 13.379 -2.588 1.00 0.00 O ATOM 0 H GLY A 69 -9.440 13.267 -6.166 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -10.116 14.617 -4.523 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -11.773 14.260 -4.966 1.00 0.00 H new ATOM 639 N SER A 70 -10.226 11.959 -3.167 1.00 0.00 N ATOM 640 CA SER A 70 -10.003 11.434 -1.823 1.00 0.00 C ATOM 641 C SER A 70 -8.834 12.217 -1.222 1.00 0.00 C ATOM 642 O SER A 70 -9.037 13.130 -0.425 1.00 0.00 O ATOM 643 CB SER A 70 -9.800 9.907 -1.857 1.00 0.00 C ATOM 644 OG SER A 70 -8.731 9.483 -2.704 1.00 0.00 O ATOM 0 H SER A 70 -9.743 11.446 -3.905 1.00 0.00 H new ATOM 0 HA SER A 70 -10.872 11.574 -1.180 1.00 0.00 H new ATOM 0 HB2 SER A 70 -9.610 9.553 -0.844 1.00 0.00 H new ATOM 0 HB3 SER A 70 -10.724 9.435 -2.191 1.00 0.00 H new ATOM 0 HG SER A 70 -9.057 9.399 -3.624 1.00 0.00 H new ATOM 650 N VAL A 71 -7.637 11.888 -1.711 1.00 0.00 N ATOM 651 CA VAL A 71 -6.303 12.267 -1.280 1.00 0.00 C ATOM 652 C VAL A 71 -6.171 13.717 -0.792 1.00 0.00 C ATOM 653 O VAL A 71 -5.811 14.613 -1.556 1.00 0.00 O ATOM 654 CB VAL A 71 -5.276 11.783 -2.329 1.00 0.00 C ATOM 655 CG1 VAL A 71 -5.608 12.140 -3.774 1.00 0.00 C ATOM 656 CG2 VAL A 71 -3.845 12.173 -1.950 1.00 0.00 C ATOM 0 H VAL A 71 -7.582 11.271 -2.521 1.00 0.00 H new ATOM 0 HA VAL A 71 -6.066 11.745 -0.353 1.00 0.00 H new ATOM 0 HB VAL A 71 -5.347 10.696 -2.300 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -4.828 11.757 -4.432 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -6.565 11.695 -4.048 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -5.669 13.223 -3.876 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -3.155 11.814 -2.714 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -3.771 13.258 -1.876 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -3.588 11.726 -0.990 1.00 0.00 H new ATOM 666 N GLN A 72 -6.419 13.920 0.501 1.00 0.00 N ATOM 667 CA GLN A 72 -6.072 15.071 1.287 1.00 0.00 C ATOM 668 C GLN A 72 -4.588 14.924 1.593 1.00 0.00 C ATOM 669 O GLN A 72 -4.151 13.829 1.944 1.00 0.00 O ATOM 670 CB GLN A 72 -6.869 14.940 2.589 1.00 0.00 C ATOM 671 CG GLN A 72 -6.665 16.158 3.489 1.00 0.00 C ATOM 672 CD GLN A 72 -7.453 16.052 4.792 1.00 0.00 C ATOM 673 OE1 GLN A 72 -6.898 16.139 5.888 1.00 0.00 O ATOM 674 NE2 GLN A 72 -8.762 15.904 4.699 1.00 0.00 N ATOM 0 H GLN A 72 -6.908 13.219 1.057 1.00 0.00 H new ATOM 0 HA GLN A 72 -6.278 16.024 0.799 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -7.929 14.828 2.360 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -6.560 14.038 3.118 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -5.604 16.266 3.716 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -6.970 17.058 2.954 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -9.203 15.834 3.782 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -9.332 15.860 5.544 1.00 0.00 H new ATOM 683 N ARG A 73 -3.806 15.994 1.512 1.00 0.00 N ATOM 684 CA ARG A 73 -2.369 15.967 1.787 1.00 0.00 C ATOM 685 C ARG A 73 -2.038 17.192 2.615 1.00 0.00 C ATOM 686 O ARG A 73 -2.417 18.303 2.240 1.00 0.00 O ATOM 687 CB ARG A 73 -1.550 15.943 0.487 1.00 0.00 C ATOM 688 CG ARG A 73 -2.188 15.115 -0.646 1.00 0.00 C ATOM 689 CD ARG A 73 -1.264 14.961 -1.853 1.00 0.00 C ATOM 690 NE ARG A 73 -1.448 16.094 -2.788 1.00 0.00 N ATOM 691 CZ ARG A 73 -2.246 16.077 -3.868 1.00 0.00 C ATOM 692 NH1 ARG A 73 -2.447 14.960 -4.557 1.00 0.00 N ATOM 693 NH2 ARG A 73 -2.855 17.193 -4.247 1.00 0.00 N ATOM 0 H ARG A 73 -4.153 16.917 1.251 1.00 0.00 H new ATOM 0 HA ARG A 73 -2.111 15.059 2.332 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -1.411 16.967 0.140 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -0.560 15.542 0.702 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -2.451 14.128 -0.266 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -3.116 15.592 -0.962 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -0.226 14.918 -1.522 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -1.475 14.021 -2.363 1.00 0.00 H new ATOM 0 HE ARG A 73 -0.930 16.952 -2.598 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -1.992 14.094 -4.269 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -3.057 14.968 -5.375 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -2.715 18.055 -3.719 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -3.463 17.189 -5.066 1.00 0.00 H new ATOM 758 N LEU A 78 2.806 16.446 6.967 1.00 0.00 N ATOM 759 CA LEU A 78 3.102 15.410 5.994 1.00 0.00 C ATOM 760 C LEU A 78 2.071 14.278 5.873 1.00 0.00 C ATOM 761 O LEU A 78 2.217 13.407 5.011 1.00 0.00 O ATOM 762 CB LEU A 78 4.544 14.892 6.062 1.00 0.00 C ATOM 763 CG LEU A 78 5.665 15.612 6.841 1.00 0.00 C ATOM 764 CD1 LEU A 78 5.755 15.205 8.318 1.00 0.00 C ATOM 765 CD2 LEU A 78 7.006 15.240 6.193 1.00 0.00 C ATOM 0 HA LEU A 78 3.005 15.946 5.050 1.00 0.00 H new ATOM 0 HB2 LEU A 78 4.490 13.880 6.464 1.00 0.00 H new ATOM 0 HB3 LEU A 78 4.890 14.807 5.032 1.00 0.00 H new ATOM 0 HG LEU A 78 5.440 16.678 6.802 1.00 0.00 H new ATOM 0 HD11 LEU A 78 6.566 15.753 8.798 1.00 0.00 H new ATOM 0 HD12 LEU A 78 4.814 15.437 8.817 1.00 0.00 H new ATOM 0 HD13 LEU A 78 5.949 14.135 8.389 1.00 0.00 H new ATOM 0 HD21 LEU A 78 7.817 15.736 6.725 1.00 0.00 H new ATOM 0 HD22 LEU A 78 7.147 14.160 6.242 1.00 0.00 H new ATOM 0 HD23 LEU A 78 7.007 15.559 5.151 1.00 0.00 H new ATOM 777 N LYS A 79 1.017 14.287 6.692 1.00 0.00 N ATOM 778 CA LYS A 79 -0.094 13.368 6.663 1.00 0.00 C ATOM 779 C LYS A 79 -0.737 13.391 5.299 1.00 0.00 C ATOM 780 O LYS A 79 -0.817 14.425 4.633 1.00 0.00 O ATOM 781 CB LYS A 79 -1.108 13.747 7.755 1.00 0.00 C ATOM 782 CG LYS A 79 -1.153 12.699 8.873 1.00 0.00 C ATOM 783 CD LYS A 79 -1.954 11.423 8.546 1.00 0.00 C ATOM 784 CE LYS A 79 -3.132 11.247 9.517 1.00 0.00 C ATOM 785 NZ LYS A 79 -3.786 9.927 9.387 1.00 0.00 N ATOM 0 H LYS A 79 0.923 14.982 7.433 1.00 0.00 H new ATOM 0 HA LYS A 79 0.261 12.356 6.859 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -0.844 14.717 8.176 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -2.099 13.850 7.312 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -0.131 12.413 9.122 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -1.581 13.159 9.763 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -2.326 11.476 7.523 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -1.299 10.554 8.602 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -2.776 11.373 10.540 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -3.867 12.031 9.336 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -4.642 9.904 9.977 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -4.045 9.764 8.393 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -3.131 9.183 9.700 1.00 0.00 H new ATOM 799 N VAL A 80 -1.274 12.245 4.943 1.00 0.00 N ATOM 800 CA VAL A 80 -2.169 12.075 3.827 1.00 0.00 C ATOM 801 C VAL A 80 -3.304 11.241 4.350 1.00 0.00 C ATOM 802 O VAL A 80 -3.100 10.333 5.167 1.00 0.00 O ATOM 803 CB VAL A 80 -1.505 11.344 2.642 1.00 0.00 C ATOM 804 CG1 VAL A 80 -1.910 11.907 1.300 1.00 0.00 C ATOM 805 CG2 VAL A 80 0.006 11.428 2.697 1.00 0.00 C ATOM 0 H VAL A 80 -1.090 11.375 5.444 1.00 0.00 H new ATOM 0 HA VAL A 80 -2.485 13.047 3.449 1.00 0.00 H new ATOM 0 HB VAL A 80 -1.847 10.313 2.738 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -1.410 11.351 0.507 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -2.990 11.820 1.180 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -1.623 12.957 1.244 1.00 0.00 H new ATOM 0 HG21 VAL A 80 0.431 10.900 1.844 1.00 0.00 H new ATOM 0 HG22 VAL A 80 0.314 12.473 2.667 1.00 0.00 H new ATOM 0 HG23 VAL A 80 0.362 10.972 3.620 1.00 0.00 H new ATOM 815 N THR A 81 -4.465 11.481 3.782 1.00 0.00 N ATOM 816 CA THR A 81 -5.550 10.544 3.872 1.00 0.00 C ATOM 817 C THR A 81 -6.086 10.378 2.464 1.00 0.00 C ATOM 818 O THR A 81 -6.422 11.375 1.829 1.00 0.00 O ATOM 819 CB THR A 81 -6.597 11.004 4.913 1.00 0.00 C ATOM 820 OG1 THR A 81 -7.009 12.340 4.736 1.00 0.00 O ATOM 821 CG2 THR A 81 -6.043 10.916 6.331 1.00 0.00 C ATOM 0 H THR A 81 -4.677 12.325 3.250 1.00 0.00 H new ATOM 0 HA THR A 81 -5.231 9.569 4.241 1.00 0.00 H new ATOM 0 HB THR A 81 -7.443 10.333 4.765 1.00 0.00 H new ATOM 0 HG1 THR A 81 -7.671 12.572 5.421 1.00 0.00 H new ATOM 0 HG21 THR A 81 -6.803 11.246 7.040 1.00 0.00 H new ATOM 0 HG22 THR A 81 -5.766 9.885 6.550 1.00 0.00 H new ATOM 0 HG23 THR A 81 -5.164 11.554 6.418 1.00 0.00 H new ATOM 829 N PHE A 82 -6.054 9.159 1.924 1.00 0.00 N ATOM 830 CA PHE A 82 -6.610 8.852 0.616 1.00 0.00 C ATOM 831 C PHE A 82 -7.368 7.534 0.680 1.00 0.00 C ATOM 832 O PHE A 82 -7.189 6.756 1.616 1.00 0.00 O ATOM 833 CB PHE A 82 -5.515 8.858 -0.458 1.00 0.00 C ATOM 834 CG PHE A 82 -4.417 7.811 -0.436 1.00 0.00 C ATOM 835 CD1 PHE A 82 -3.233 8.063 0.283 1.00 0.00 C ATOM 836 CD2 PHE A 82 -4.491 6.676 -1.265 1.00 0.00 C ATOM 837 CE1 PHE A 82 -2.133 7.196 0.187 1.00 0.00 C ATOM 838 CE2 PHE A 82 -3.392 5.802 -1.361 1.00 0.00 C ATOM 839 CZ PHE A 82 -2.210 6.065 -0.642 1.00 0.00 C ATOM 0 H PHE A 82 -5.637 8.354 2.390 1.00 0.00 H new ATOM 0 HA PHE A 82 -7.321 9.626 0.329 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -6.011 8.785 -1.426 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -5.031 9.834 -0.421 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -3.170 8.935 0.917 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -5.391 6.476 -1.827 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -1.232 7.398 0.748 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -3.455 4.926 -1.989 1.00 0.00 H new ATOM 0 HZ PHE A 82 -1.365 5.398 -0.728 1.00 0.00 H new ATOM 849 N THR A 83 -8.141 7.222 -0.355 1.00 0.00 N ATOM 850 CA THR A 83 -8.795 5.919 -0.478 1.00 0.00 C ATOM 851 C THR A 83 -8.336 5.320 -1.807 1.00 0.00 C ATOM 852 O THR A 83 -8.080 6.054 -2.769 1.00 0.00 O ATOM 853 CB THR A 83 -10.326 6.089 -0.376 1.00 0.00 C ATOM 854 OG1 THR A 83 -10.688 6.878 0.744 1.00 0.00 O ATOM 855 CG2 THR A 83 -11.100 4.772 -0.270 1.00 0.00 C ATOM 0 H THR A 83 -8.333 7.859 -1.129 1.00 0.00 H new ATOM 0 HA THR A 83 -8.521 5.237 0.327 1.00 0.00 H new ATOM 0 HB THR A 83 -10.598 6.577 -1.312 1.00 0.00 H new ATOM 0 HG1 THR A 83 -10.473 6.394 1.568 1.00 0.00 H new ATOM 0 HG21 THR A 83 -12.167 4.982 -0.202 1.00 0.00 H new ATOM 0 HG22 THR A 83 -10.905 4.163 -1.153 1.00 0.00 H new ATOM 0 HG23 THR A 83 -10.779 4.232 0.621 1.00 0.00 H new ATOM 863 N ILE A 84 -8.214 3.995 -1.865 1.00 0.00 N ATOM 864 CA ILE A 84 -7.787 3.254 -3.042 1.00 0.00 C ATOM 865 C ILE A 84 -8.835 2.176 -3.287 1.00 0.00 C ATOM 866 O ILE A 84 -9.372 1.598 -2.340 1.00 0.00 O ATOM 867 CB ILE A 84 -6.347 2.691 -2.907 1.00 0.00 C ATOM 868 CG1 ILE A 84 -5.819 2.650 -1.473 1.00 0.00 C ATOM 869 CG2 ILE A 84 -5.357 3.511 -3.750 1.00 0.00 C ATOM 870 CD1 ILE A 84 -4.515 1.842 -1.335 1.00 0.00 C ATOM 0 H ILE A 84 -8.417 3.392 -1.067 1.00 0.00 H new ATOM 0 HA ILE A 84 -7.724 3.914 -3.907 1.00 0.00 H new ATOM 0 HB ILE A 84 -6.420 1.664 -3.265 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -5.647 3.669 -1.126 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -6.579 2.216 -0.824 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -4.355 3.097 -3.639 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -5.652 3.471 -4.799 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -5.361 4.547 -3.411 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -4.190 1.850 -0.294 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -4.689 0.814 -1.653 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -3.742 2.290 -1.960 1.00 0.00 H new ATOM 882 N TYR A 85 -9.174 1.944 -4.551 1.00 0.00 N ATOM 883 CA TYR A 85 -10.280 1.097 -4.959 1.00 0.00 C ATOM 884 C TYR A 85 -9.888 0.266 -6.181 1.00 0.00 C ATOM 885 O TYR A 85 -8.794 0.405 -6.734 1.00 0.00 O ATOM 886 CB TYR A 85 -11.524 1.958 -5.227 1.00 0.00 C ATOM 887 CG TYR A 85 -11.457 2.759 -6.507 1.00 0.00 C ATOM 888 CD1 TYR A 85 -10.743 3.970 -6.539 1.00 0.00 C ATOM 889 CD2 TYR A 85 -12.073 2.266 -7.674 1.00 0.00 C ATOM 890 CE1 TYR A 85 -10.621 4.672 -7.745 1.00 0.00 C ATOM 891 CE2 TYR A 85 -11.967 2.973 -8.881 1.00 0.00 C ATOM 892 CZ TYR A 85 -11.250 4.190 -8.913 1.00 0.00 C ATOM 893 OH TYR A 85 -11.115 4.876 -10.079 1.00 0.00 O ATOM 0 H TYR A 85 -8.671 2.353 -5.338 1.00 0.00 H new ATOM 0 HA TYR A 85 -10.522 0.401 -4.156 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -12.400 1.310 -5.262 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -11.666 2.642 -4.390 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -10.291 4.357 -5.638 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -12.629 1.341 -7.639 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -10.044 5.584 -7.781 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -12.430 2.590 -9.779 1.00 0.00 H new ATOM 0 HH TYR A 85 -11.607 4.414 -10.789 1.00 0.00 H new ATOM 903 N ASP A 86 -10.793 -0.629 -6.561 1.00 0.00 N ATOM 904 CA ASP A 86 -10.761 -1.463 -7.762 1.00 0.00 C ATOM 905 C ASP A 86 -12.224 -1.778 -8.106 1.00 0.00 C ATOM 906 O ASP A 86 -13.137 -1.184 -7.527 1.00 0.00 O ATOM 907 CB ASP A 86 -9.922 -2.737 -7.536 1.00 0.00 C ATOM 908 CG ASP A 86 -9.369 -3.328 -8.836 1.00 0.00 C ATOM 909 OD1 ASP A 86 -10.089 -4.024 -9.589 1.00 0.00 O ATOM 910 OD2 ASP A 86 -8.161 -3.151 -9.095 1.00 0.00 O ATOM 0 H ASP A 86 -11.627 -0.805 -6.001 1.00 0.00 H new ATOM 0 HA ASP A 86 -10.280 -0.948 -8.593 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -9.093 -2.506 -6.867 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -10.536 -3.486 -7.035 1.00 0.00 H new ATOM 915 N ALA A 87 -12.488 -2.702 -9.023 1.00 0.00 N ATOM 916 CA ALA A 87 -13.829 -3.063 -9.475 1.00 0.00 C ATOM 917 C ALA A 87 -14.682 -3.793 -8.419 1.00 0.00 C ATOM 918 O ALA A 87 -15.854 -4.071 -8.678 1.00 0.00 O ATOM 919 CB ALA A 87 -13.676 -3.934 -10.724 1.00 0.00 C ATOM 0 H ALA A 87 -11.754 -3.237 -9.487 1.00 0.00 H new ATOM 0 HA ALA A 87 -14.369 -2.139 -9.682 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -14.662 -4.223 -11.089 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -13.152 -3.372 -11.498 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -13.105 -4.829 -10.476 1.00 0.00 H new ATOM 925 N GLU A 88 -14.113 -4.104 -7.253 1.00 0.00 N ATOM 926 CA GLU A 88 -14.708 -4.944 -6.219 1.00 0.00 C ATOM 927 C GLU A 88 -15.169 -4.008 -5.100 1.00 0.00 C ATOM 928 O GLU A 88 -16.364 -3.839 -4.858 1.00 0.00 O ATOM 929 CB GLU A 88 -13.716 -6.014 -5.689 1.00 0.00 C ATOM 930 CG GLU A 88 -12.619 -6.518 -6.641 1.00 0.00 C ATOM 931 CD GLU A 88 -12.948 -7.769 -7.455 1.00 0.00 C ATOM 932 OE1 GLU A 88 -13.436 -7.657 -8.599 1.00 0.00 O ATOM 933 OE2 GLU A 88 -12.516 -8.869 -7.028 1.00 0.00 O ATOM 0 H GLU A 88 -13.187 -3.762 -6.995 1.00 0.00 H new ATOM 0 HA GLU A 88 -15.548 -5.505 -6.629 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -13.228 -5.607 -4.803 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -14.298 -6.877 -5.364 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -12.373 -5.714 -7.335 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -11.723 -6.718 -6.054 1.00 0.00 H new ATOM 940 N GLY A 89 -14.208 -3.370 -4.424 1.00 0.00 N ATOM 941 CA GLY A 89 -14.407 -2.588 -3.215 1.00 0.00 C ATOM 942 C GLY A 89 -13.315 -1.533 -3.070 1.00 0.00 C ATOM 943 O GLY A 89 -12.679 -1.184 -4.069 1.00 0.00 O ATOM 0 H GLY A 89 -13.233 -3.390 -4.722 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -15.384 -2.106 -3.245 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -14.402 -3.245 -2.346 1.00 0.00 H new ATOM 947 N SER A 90 -13.149 -0.963 -1.875 1.00 0.00 N ATOM 948 CA SER A 90 -12.183 0.098 -1.618 1.00 0.00 C ATOM 949 C SER A 90 -11.697 0.066 -0.168 1.00 0.00 C ATOM 950 O SER A 90 -12.399 -0.479 0.687 1.00 0.00 O ATOM 951 CB SER A 90 -12.815 1.428 -2.004 1.00 0.00 C ATOM 952 OG SER A 90 -13.996 1.690 -1.256 1.00 0.00 O ATOM 0 H SER A 90 -13.689 -1.230 -1.052 1.00 0.00 H new ATOM 0 HA SER A 90 -11.291 -0.049 -2.226 1.00 0.00 H new ATOM 0 HB2 SER A 90 -12.097 2.232 -1.842 1.00 0.00 H new ATOM 0 HB3 SER A 90 -13.053 1.422 -3.068 1.00 0.00 H new ATOM 0 HG SER A 90 -14.610 2.232 -1.794 1.00 0.00 H new ATOM 958 N VAL A 91 -10.534 0.658 0.111 1.00 0.00 N ATOM 959 CA VAL A 91 -9.898 0.674 1.424 1.00 0.00 C ATOM 960 C VAL A 91 -9.281 2.049 1.652 1.00 0.00 C ATOM 961 O VAL A 91 -8.860 2.711 0.696 1.00 0.00 O ATOM 962 CB VAL A 91 -8.834 -0.443 1.527 1.00 0.00 C ATOM 963 CG1 VAL A 91 -9.454 -1.821 1.261 1.00 0.00 C ATOM 964 CG2 VAL A 91 -7.655 -0.232 0.562 1.00 0.00 C ATOM 0 H VAL A 91 -9.993 1.155 -0.597 1.00 0.00 H new ATOM 0 HA VAL A 91 -10.642 0.483 2.198 1.00 0.00 H new ATOM 0 HB VAL A 91 -8.451 -0.398 2.547 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -8.684 -2.588 1.340 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -10.236 -2.016 1.995 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -9.883 -1.840 0.259 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -6.940 -1.046 0.678 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -8.023 -0.216 -0.464 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -7.166 0.716 0.787 1.00 0.00 H new ATOM 974 N ASP A 92 -9.209 2.474 2.909 1.00 0.00 N ATOM 975 CA ASP A 92 -8.572 3.732 3.267 1.00 0.00 C ATOM 976 C ASP A 92 -7.066 3.559 3.371 1.00 0.00 C ATOM 977 O ASP A 92 -6.557 2.481 3.692 1.00 0.00 O ATOM 978 CB ASP A 92 -9.091 4.285 4.609 1.00 0.00 C ATOM 979 CG ASP A 92 -9.715 5.678 4.447 1.00 0.00 C ATOM 980 OD1 ASP A 92 -10.296 5.996 3.383 1.00 0.00 O ATOM 981 OD2 ASP A 92 -9.500 6.514 5.356 1.00 0.00 O ATOM 0 H ASP A 92 -9.589 1.958 3.703 1.00 0.00 H new ATOM 0 HA ASP A 92 -8.819 4.440 2.476 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -9.832 3.600 5.022 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -8.270 4.335 5.324 1.00 0.00 H new ATOM 986 N VAL A 93 -6.351 4.668 3.230 1.00 0.00 N ATOM 987 CA VAL A 93 -4.942 4.787 3.532 1.00 0.00 C ATOM 988 C VAL A 93 -4.762 6.063 4.352 1.00 0.00 C ATOM 989 O VAL A 93 -5.084 7.148 3.867 1.00 0.00 O ATOM 990 CB VAL A 93 -4.099 4.806 2.240 1.00 0.00 C ATOM 991 CG1 VAL A 93 -2.626 4.974 2.633 1.00 0.00 C ATOM 992 CG2 VAL A 93 -4.245 3.530 1.393 1.00 0.00 C ATOM 0 H VAL A 93 -6.758 5.539 2.889 1.00 0.00 H new ATOM 0 HA VAL A 93 -4.594 3.927 4.104 1.00 0.00 H new ATOM 0 HB VAL A 93 -4.459 5.632 1.627 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -2.009 4.990 1.734 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -2.499 5.910 3.177 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -2.321 4.141 3.267 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -3.625 3.613 0.500 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -3.926 2.667 1.977 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -5.287 3.405 1.100 1.00 0.00 H new ATOM 1002 N SER A 94 -4.235 5.957 5.568 1.00 0.00 N ATOM 1003 CA SER A 94 -3.499 7.045 6.186 1.00 0.00 C ATOM 1004 C SER A 94 -2.042 6.837 5.821 1.00 0.00 C ATOM 1005 O SER A 94 -1.473 5.794 6.144 1.00 0.00 O ATOM 1006 CB SER A 94 -3.640 7.056 7.698 1.00 0.00 C ATOM 1007 OG SER A 94 -4.920 7.545 8.035 1.00 0.00 O ATOM 0 H SER A 94 -4.307 5.120 6.146 1.00 0.00 H new ATOM 0 HA SER A 94 -3.890 7.998 5.829 1.00 0.00 H new ATOM 0 HB2 SER A 94 -3.504 6.051 8.096 1.00 0.00 H new ATOM 0 HB3 SER A 94 -2.868 7.683 8.144 1.00 0.00 H new ATOM 0 HG SER A 94 -5.604 6.931 7.696 1.00 0.00 H new ATOM 1013 N TYR A 95 -1.423 7.811 5.170 1.00 0.00 N ATOM 1014 CA TYR A 95 0.015 7.882 5.049 1.00 0.00 C ATOM 1015 C TYR A 95 0.465 9.136 5.799 1.00 0.00 C ATOM 1016 O TYR A 95 -0.352 9.944 6.237 1.00 0.00 O ATOM 1017 CB TYR A 95 0.381 7.869 3.559 1.00 0.00 C ATOM 1018 CG TYR A 95 1.862 7.970 3.262 1.00 0.00 C ATOM 1019 CD1 TYR A 95 2.835 7.246 3.981 1.00 0.00 C ATOM 1020 CD2 TYR A 95 2.264 8.822 2.231 1.00 0.00 C ATOM 1021 CE1 TYR A 95 4.198 7.420 3.683 1.00 0.00 C ATOM 1022 CE2 TYR A 95 3.611 8.978 1.904 1.00 0.00 C ATOM 1023 CZ TYR A 95 4.585 8.284 2.639 1.00 0.00 C ATOM 1024 OH TYR A 95 5.882 8.372 2.267 1.00 0.00 O ATOM 0 H TYR A 95 -1.914 8.577 4.709 1.00 0.00 H new ATOM 0 HA TYR A 95 0.531 7.030 5.492 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -0.001 6.950 3.115 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -0.130 8.697 3.068 1.00 0.00 H new ATOM 0 HD1 TYR A 95 2.534 6.560 4.759 1.00 0.00 H new ATOM 0 HD2 TYR A 95 1.517 9.371 1.676 1.00 0.00 H new ATOM 0 HE1 TYR A 95 4.948 6.892 4.254 1.00 0.00 H new ATOM 0 HE2 TYR A 95 3.902 9.628 1.092 1.00 0.00 H new ATOM 0 HH TYR A 95 6.103 7.626 1.671 1.00 0.00 H new ATOM 1034 N GLU A 96 1.764 9.308 5.967 1.00 0.00 N ATOM 1035 CA GLU A 96 2.383 10.409 6.670 1.00 0.00 C ATOM 1036 C GLU A 96 3.820 10.386 6.198 1.00 0.00 C ATOM 1037 O GLU A 96 4.581 9.508 6.604 1.00 0.00 O ATOM 1038 CB GLU A 96 2.213 10.220 8.184 1.00 0.00 C ATOM 1039 CG GLU A 96 3.031 11.202 9.041 1.00 0.00 C ATOM 1040 CD GLU A 96 4.214 10.525 9.745 1.00 0.00 C ATOM 1041 OE1 GLU A 96 4.000 9.521 10.460 1.00 0.00 O ATOM 1042 OE2 GLU A 96 5.370 10.996 9.642 1.00 0.00 O ATOM 0 H GLU A 96 2.447 8.648 5.596 1.00 0.00 H new ATOM 0 HA GLU A 96 1.938 11.383 6.467 1.00 0.00 H new ATOM 0 HB2 GLU A 96 1.158 10.328 8.436 1.00 0.00 H new ATOM 0 HB3 GLU A 96 2.500 9.202 8.446 1.00 0.00 H new ATOM 0 HG2 GLU A 96 3.402 12.008 8.409 1.00 0.00 H new ATOM 0 HG3 GLU A 96 2.380 11.656 9.788 1.00 0.00 H new ATOM 1049 N GLY A 97 4.147 11.245 5.237 1.00 0.00 N ATOM 1050 CA GLY A 97 5.489 11.224 4.663 1.00 0.00 C ATOM 1051 C GLY A 97 5.610 12.045 3.406 1.00 0.00 C ATOM 1052 O GLY A 97 5.027 13.124 3.290 1.00 0.00 O ATOM 0 H GLY A 97 3.519 11.948 4.847 1.00 0.00 H new ATOM 0 HA2 GLY A 97 6.199 11.596 5.402 1.00 0.00 H new ATOM 0 HA3 GLY A 97 5.767 10.193 4.444 1.00 0.00 H new ATOM 1056 N ILE A 98 6.430 11.554 2.488 1.00 0.00 N ATOM 1057 CA ILE A 98 6.692 12.175 1.212 1.00 0.00 C ATOM 1058 C ILE A 98 6.026 11.265 0.199 1.00 0.00 C ATOM 1059 O ILE A 98 6.603 10.284 -0.287 1.00 0.00 O ATOM 1060 CB ILE A 98 8.195 12.385 0.972 1.00 0.00 C ATOM 1061 CG1 ILE A 98 8.899 13.243 2.042 1.00 0.00 C ATOM 1062 CG2 ILE A 98 8.388 12.981 -0.424 1.00 0.00 C ATOM 1063 CD1 ILE A 98 8.301 14.639 2.247 1.00 0.00 C ATOM 0 H ILE A 98 6.945 10.684 2.622 1.00 0.00 H new ATOM 0 HA ILE A 98 6.288 13.185 1.144 1.00 0.00 H new ATOM 0 HB ILE A 98 8.672 11.408 1.047 1.00 0.00 H new ATOM 0 HG12 ILE A 98 8.870 12.709 2.992 1.00 0.00 H new ATOM 0 HG13 ILE A 98 9.949 13.350 1.768 1.00 0.00 H new ATOM 0 HG21 ILE A 98 9.451 13.136 -0.610 1.00 0.00 H new ATOM 0 HG22 ILE A 98 7.985 12.297 -1.171 1.00 0.00 H new ATOM 0 HG23 ILE A 98 7.865 13.935 -0.488 1.00 0.00 H new ATOM 0 HD11 ILE A 98 8.863 15.166 3.018 1.00 0.00 H new ATOM 0 HD12 ILE A 98 8.354 15.198 1.313 1.00 0.00 H new ATOM 0 HD13 ILE A 98 7.260 14.547 2.556 1.00 0.00 H new ATOM 1075 N LEU A 99 4.776 11.604 -0.088 1.00 0.00 N ATOM 1076 CA LEU A 99 4.022 11.009 -1.164 1.00 0.00 C ATOM 1077 C LEU A 99 4.771 11.272 -2.459 1.00 0.00 C ATOM 1078 O LEU A 99 5.157 12.430 -2.663 1.00 0.00 O ATOM 1079 CB LEU A 99 2.623 11.617 -1.165 1.00 0.00 C ATOM 1080 CG LEU A 99 1.587 10.845 -1.978 1.00 0.00 C ATOM 1081 CD1 LEU A 99 1.356 9.451 -1.382 1.00 0.00 C ATOM 1082 CD2 LEU A 99 0.281 11.629 -1.876 1.00 0.00 C ATOM 0 H LEU A 99 4.257 12.311 0.433 1.00 0.00 H new ATOM 0 HA LEU A 99 3.914 9.931 -1.047 1.00 0.00 H new ATOM 0 HB2 LEU A 99 2.274 11.690 -0.135 1.00 0.00 H new ATOM 0 HB3 LEU A 99 2.685 12.633 -1.554 1.00 0.00 H new ATOM 0 HG LEU A 99 1.928 10.730 -3.007 1.00 0.00 H new ATOM 0 HD11 LEU A 99 0.614 8.919 -1.978 1.00 0.00 H new ATOM 0 HD12 LEU A 99 2.293 8.893 -1.387 1.00 0.00 H new ATOM 0 HD13 LEU A 99 0.997 9.548 -0.357 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -0.496 11.117 -2.443 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -0.020 11.700 -0.831 1.00 0.00 H new ATOM 0 HD23 LEU A 99 0.425 12.631 -2.281 1.00 0.00 H new ATOM 1094 N PRO A 100 5.011 10.244 -3.292 1.00 0.00 N ATOM 1095 CA PRO A 100 5.784 10.404 -4.508 1.00 0.00 C ATOM 1096 C PRO A 100 5.174 11.509 -5.350 1.00 0.00 C ATOM 1097 O PRO A 100 3.959 11.548 -5.527 1.00 0.00 O ATOM 1098 CB PRO A 100 5.708 9.065 -5.254 1.00 0.00 C ATOM 1099 CG PRO A 100 5.192 8.053 -4.233 1.00 0.00 C ATOM 1100 CD PRO A 100 4.489 8.890 -3.174 1.00 0.00 C ATOM 0 HA PRO A 100 6.819 10.672 -4.295 1.00 0.00 H new ATOM 0 HB2 PRO A 100 5.039 9.132 -6.112 1.00 0.00 H new ATOM 0 HB3 PRO A 100 6.687 8.773 -5.635 1.00 0.00 H new ATOM 0 HG2 PRO A 100 4.507 7.341 -4.693 1.00 0.00 H new ATOM 0 HG3 PRO A 100 6.009 7.475 -3.802 1.00 0.00 H new ATOM 0 HD2 PRO A 100 3.410 8.877 -3.325 1.00 0.00 H new ATOM 0 HD3 PRO A 100 4.676 8.489 -2.178 1.00 0.00 H new ATOM 1108 N ASP A 101 5.993 12.363 -5.945 1.00 0.00 N ATOM 1109 CA ASP A 101 5.484 13.296 -6.949 1.00 0.00 C ATOM 1110 C ASP A 101 4.782 12.547 -8.102 1.00 0.00 C ATOM 1111 O ASP A 101 3.782 13.006 -8.658 1.00 0.00 O ATOM 1112 CB ASP A 101 6.614 14.184 -7.458 1.00 0.00 C ATOM 1113 CG ASP A 101 6.102 15.261 -8.410 1.00 0.00 C ATOM 1114 OD1 ASP A 101 4.902 15.615 -8.360 1.00 0.00 O ATOM 1115 OD2 ASP A 101 6.919 15.759 -9.213 1.00 0.00 O ATOM 0 H ASP A 101 6.993 12.433 -5.758 1.00 0.00 H new ATOM 0 HA ASP A 101 4.734 13.935 -6.483 1.00 0.00 H new ATOM 0 HB2 ASP A 101 7.116 14.655 -6.612 1.00 0.00 H new ATOM 0 HB3 ASP A 101 7.357 13.571 -7.968 1.00 0.00 H new ATOM 1120 N LEU A 102 5.264 11.333 -8.401 1.00 0.00 N ATOM 1121 CA LEU A 102 4.679 10.394 -9.358 1.00 0.00 C ATOM 1122 C LEU A 102 3.299 9.859 -8.965 1.00 0.00 C ATOM 1123 O LEU A 102 2.577 9.412 -9.847 1.00 0.00 O ATOM 1124 CB LEU A 102 5.649 9.218 -9.612 1.00 0.00 C ATOM 1125 CG LEU A 102 6.550 9.515 -10.822 1.00 0.00 C ATOM 1126 CD1 LEU A 102 7.526 10.664 -10.566 1.00 0.00 C ATOM 1127 CD2 LEU A 102 7.335 8.255 -11.141 1.00 0.00 C ATOM 0 H LEU A 102 6.108 10.966 -7.962 1.00 0.00 H new ATOM 0 HA LEU A 102 4.524 10.967 -10.272 1.00 0.00 H new ATOM 0 HB2 LEU A 102 6.263 9.047 -8.727 1.00 0.00 H new ATOM 0 HB3 LEU A 102 5.083 8.303 -9.788 1.00 0.00 H new ATOM 0 HG LEU A 102 5.914 9.818 -11.654 1.00 0.00 H new ATOM 0 HD11 LEU A 102 8.136 10.828 -11.454 1.00 0.00 H new ATOM 0 HD12 LEU A 102 6.968 11.571 -10.336 1.00 0.00 H new ATOM 0 HD13 LEU A 102 8.171 10.412 -9.724 1.00 0.00 H new ATOM 0 HD21 LEU A 102 7.984 8.438 -11.997 1.00 0.00 H new ATOM 0 HD22 LEU A 102 7.941 7.976 -10.279 1.00 0.00 H new ATOM 0 HD23 LEU A 102 6.644 7.445 -11.376 1.00 0.00 H new ATOM 1139 N PHE A 103 2.918 9.876 -7.687 1.00 0.00 N ATOM 1140 CA PHE A 103 1.582 9.516 -7.220 1.00 0.00 C ATOM 1141 C PHE A 103 0.594 10.599 -7.665 1.00 0.00 C ATOM 1142 O PHE A 103 0.831 11.788 -7.420 1.00 0.00 O ATOM 1143 CB PHE A 103 1.629 9.382 -5.693 1.00 0.00 C ATOM 1144 CG PHE A 103 0.337 8.984 -5.014 1.00 0.00 C ATOM 1145 CD1 PHE A 103 -0.703 9.921 -4.913 1.00 0.00 C ATOM 1146 CD2 PHE A 103 0.201 7.723 -4.407 1.00 0.00 C ATOM 1147 CE1 PHE A 103 -1.887 9.604 -4.233 1.00 0.00 C ATOM 1148 CE2 PHE A 103 -0.962 7.431 -3.669 1.00 0.00 C ATOM 1149 CZ PHE A 103 -2.006 8.370 -3.578 1.00 0.00 C ATOM 0 H PHE A 103 3.547 10.147 -6.931 1.00 0.00 H new ATOM 0 HA PHE A 103 1.253 8.567 -7.642 1.00 0.00 H new ATOM 0 HB2 PHE A 103 2.391 8.645 -5.438 1.00 0.00 H new ATOM 0 HB3 PHE A 103 1.955 10.335 -5.276 1.00 0.00 H new ATOM 0 HD1 PHE A 103 -0.590 10.896 -5.364 1.00 0.00 H new ATOM 0 HD2 PHE A 103 0.983 6.984 -4.506 1.00 0.00 H new ATOM 0 HE1 PHE A 103 -2.705 10.308 -4.214 1.00 0.00 H new ATOM 0 HE2 PHE A 103 -1.054 6.478 -3.169 1.00 0.00 H new ATOM 0 HZ PHE A 103 -2.894 8.142 -3.007 1.00 0.00 H new ATOM 1159 N ARG A 104 -0.550 10.231 -8.256 1.00 0.00 N ATOM 1160 CA ARG A 104 -1.558 11.191 -8.705 1.00 0.00 C ATOM 1161 C ARG A 104 -2.944 10.641 -8.418 1.00 0.00 C ATOM 1162 O ARG A 104 -3.119 9.467 -8.081 1.00 0.00 O ATOM 1163 CB ARG A 104 -1.412 11.494 -10.213 1.00 0.00 C ATOM 1164 CG ARG A 104 -0.032 11.982 -10.665 1.00 0.00 C ATOM 1165 CD ARG A 104 0.182 13.472 -10.356 1.00 0.00 C ATOM 1166 NE ARG A 104 1.608 13.864 -10.346 1.00 0.00 N ATOM 1167 CZ ARG A 104 2.178 14.891 -10.988 1.00 0.00 C ATOM 1168 NH1 ARG A 104 1.580 15.483 -12.008 1.00 0.00 N ATOM 1169 NH2 ARG A 104 3.388 15.306 -10.637 1.00 0.00 N ATOM 0 H ARG A 104 -0.800 9.258 -8.435 1.00 0.00 H new ATOM 0 HA ARG A 104 -1.412 12.124 -8.161 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -1.658 10.591 -10.771 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -2.150 12.248 -10.486 1.00 0.00 H new ATOM 0 HG2 ARG A 104 0.741 11.394 -10.169 1.00 0.00 H new ATOM 0 HG3 ARG A 104 0.079 11.814 -11.736 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -0.348 14.070 -11.097 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -0.259 13.703 -9.386 1.00 0.00 H new ATOM 0 HE ARG A 104 2.230 13.284 -9.784 1.00 0.00 H new ATOM 0 HH11 ARG A 104 0.665 15.159 -12.321 1.00 0.00 H new ATOM 0 HH12 ARG A 104 2.034 16.264 -12.482 1.00 0.00 H new ATOM 0 HH21 ARG A 104 3.886 14.842 -9.877 1.00 0.00 H new ATOM 0 HH22 ARG A 104 3.821 16.089 -11.127 1.00 0.00 H new ATOM 1183 N GLU A 105 -3.943 11.490 -8.590 1.00 0.00 N ATOM 1184 CA GLU A 105 -5.335 11.110 -8.500 1.00 0.00 C ATOM 1185 C GLU A 105 -5.672 10.313 -9.750 1.00 0.00 C ATOM 1186 O GLU A 105 -5.480 10.795 -10.870 1.00 0.00 O ATOM 1187 CB GLU A 105 -6.235 12.350 -8.360 1.00 0.00 C ATOM 1188 CG GLU A 105 -5.806 13.255 -7.180 1.00 0.00 C ATOM 1189 CD GLU A 105 -4.670 14.250 -7.490 1.00 0.00 C ATOM 1190 OE1 GLU A 105 -4.120 14.249 -8.630 1.00 0.00 O ATOM 1191 OE2 GLU A 105 -4.274 15.021 -6.590 1.00 0.00 O ATOM 0 H GLU A 105 -3.803 12.478 -8.799 1.00 0.00 H new ATOM 0 HA GLU A 105 -5.510 10.501 -7.613 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -6.205 12.925 -9.286 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -7.268 12.033 -8.215 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -6.676 13.817 -6.840 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -5.494 12.619 -6.351 1.00 0.00 H new ATOM 1198 N GLY A 106 -6.157 9.085 -9.573 1.00 0.00 N ATOM 1199 CA GLY A 106 -6.718 8.280 -10.653 1.00 0.00 C ATOM 1200 C GLY A 106 -5.682 7.421 -11.363 1.00 0.00 C ATOM 1201 O GLY A 106 -5.834 7.126 -12.548 1.00 0.00 O ATOM 0 H GLY A 106 -6.171 8.618 -8.666 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -7.499 7.636 -10.249 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -7.193 8.939 -11.380 1.00 0.00 H new ATOM 1205 N GLN A 107 -4.607 7.062 -10.667 1.00 0.00 N ATOM 1206 CA GLN A 107 -3.622 6.086 -11.113 1.00 0.00 C ATOM 1207 C GLN A 107 -3.460 4.998 -10.054 1.00 0.00 C ATOM 1208 O GLN A 107 -4.005 5.109 -8.949 1.00 0.00 O ATOM 1209 CB GLN A 107 -2.294 6.781 -11.428 1.00 0.00 C ATOM 1210 CG GLN A 107 -1.821 7.670 -10.281 1.00 0.00 C ATOM 1211 CD GLN A 107 -0.316 7.677 -10.159 1.00 0.00 C ATOM 1212 OE1 GLN A 107 0.226 7.156 -9.192 1.00 0.00 O ATOM 1213 NE2 GLN A 107 0.385 8.240 -11.115 1.00 0.00 N ATOM 0 H GLN A 107 -4.392 7.455 -9.750 1.00 0.00 H new ATOM 0 HA GLN A 107 -3.965 5.610 -12.032 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -1.534 6.029 -11.640 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -2.406 7.383 -12.330 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -2.177 8.688 -10.440 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -2.260 7.321 -9.346 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -0.089 8.668 -11.911 1.00 0.00 H new ATOM 0 HE22 GLN A 107 1.404 8.250 -11.062 1.00 0.00 H new ATOM 1222 N GLY A 108 -2.717 3.957 -10.416 1.00 0.00 N ATOM 1223 CA GLY A 108 -2.528 2.742 -9.655 1.00 0.00 C ATOM 1224 C GLY A 108 -1.261 2.866 -8.831 1.00 0.00 C ATOM 1225 O GLY A 108 -0.206 3.204 -9.363 1.00 0.00 O ATOM 0 H GLY A 108 -2.205 3.945 -11.298 1.00 0.00 H new ATOM 0 HA2 GLY A 108 -3.385 2.569 -9.004 1.00 0.00 H new ATOM 0 HA3 GLY A 108 -2.459 1.885 -10.325 1.00 0.00 H new ATOM 1229 N VAL A 109 -1.365 2.610 -7.536 1.00 0.00 N ATOM 1230 CA VAL A 109 -0.294 2.805 -6.571 1.00 0.00 C ATOM 1231 C VAL A 109 -0.124 1.489 -5.805 1.00 0.00 C ATOM 1232 O VAL A 109 -0.897 0.545 -6.002 1.00 0.00 O ATOM 1233 CB VAL A 109 -0.600 4.055 -5.710 1.00 0.00 C ATOM 1234 CG1 VAL A 109 -1.068 5.238 -6.575 1.00 0.00 C ATOM 1235 CG2 VAL A 109 -1.601 3.763 -4.591 1.00 0.00 C ATOM 0 H VAL A 109 -2.222 2.250 -7.115 1.00 0.00 H new ATOM 0 HA VAL A 109 0.670 3.022 -7.031 1.00 0.00 H new ATOM 0 HB VAL A 109 0.338 4.338 -5.233 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -1.273 6.097 -5.936 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -0.288 5.496 -7.291 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -1.975 4.960 -7.112 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -1.781 4.672 -4.017 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -2.539 3.415 -5.024 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -1.197 2.993 -3.934 1.00 0.00 H new ATOM 1245 N VAL A 110 0.866 1.413 -4.923 1.00 0.00 N ATOM 1246 CA VAL A 110 1.116 0.327 -3.994 1.00 0.00 C ATOM 1247 C VAL A 110 1.252 0.955 -2.615 1.00 0.00 C ATOM 1248 O VAL A 110 1.877 2.011 -2.472 1.00 0.00 O ATOM 1249 CB VAL A 110 2.387 -0.414 -4.463 1.00 0.00 C ATOM 1250 CG1 VAL A 110 3.178 -1.090 -3.333 1.00 0.00 C ATOM 1251 CG2 VAL A 110 1.990 -1.487 -5.479 1.00 0.00 C ATOM 0 H VAL A 110 1.557 2.158 -4.835 1.00 0.00 H new ATOM 0 HA VAL A 110 0.315 -0.411 -3.953 1.00 0.00 H new ATOM 0 HB VAL A 110 3.039 0.346 -4.894 1.00 0.00 H new ATOM 0 HG11 VAL A 110 4.054 -1.587 -3.749 1.00 0.00 H new ATOM 0 HG12 VAL A 110 3.496 -0.338 -2.611 1.00 0.00 H new ATOM 0 HG13 VAL A 110 2.546 -1.826 -2.836 1.00 0.00 H new ATOM 0 HG21 VAL A 110 2.881 -2.016 -5.816 1.00 0.00 H new ATOM 0 HG22 VAL A 110 1.303 -2.193 -5.013 1.00 0.00 H new ATOM 0 HG23 VAL A 110 1.502 -1.017 -6.333 1.00 0.00 H new ATOM 1261 N VAL A 111 0.688 0.311 -1.592 1.00 0.00 N ATOM 1262 CA VAL A 111 0.848 0.703 -0.219 1.00 0.00 C ATOM 1263 C VAL A 111 1.636 -0.376 0.513 1.00 0.00 C ATOM 1264 O VAL A 111 1.819 -1.487 0.012 1.00 0.00 O ATOM 1265 CB VAL A 111 -0.566 1.020 0.308 1.00 0.00 C ATOM 1266 CG1 VAL A 111 -1.105 0.154 1.439 1.00 0.00 C ATOM 1267 CG2 VAL A 111 -0.616 2.499 0.650 1.00 0.00 C ATOM 0 H VAL A 111 0.098 -0.512 -1.713 1.00 0.00 H new ATOM 0 HA VAL A 111 1.442 1.604 -0.064 1.00 0.00 H new ATOM 0 HB VAL A 111 -1.251 0.762 -0.500 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -2.107 0.489 1.708 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -1.145 -0.886 1.114 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -0.449 0.238 2.306 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -1.607 2.752 1.026 1.00 0.00 H new ATOM 0 HG22 VAL A 111 0.130 2.721 1.413 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -0.406 3.086 -0.244 1.00 0.00 H new ATOM 1277 N GLN A 112 2.124 -0.011 1.687 1.00 0.00 N ATOM 1278 CA GLN A 112 2.786 -0.871 2.654 1.00 0.00 C ATOM 1279 C GLN A 112 2.734 -0.182 3.985 1.00 0.00 C ATOM 1280 O GLN A 112 2.904 1.026 4.003 1.00 0.00 O ATOM 1281 CB GLN A 112 4.259 -1.106 2.279 1.00 0.00 C ATOM 1282 CG GLN A 112 4.968 -1.990 3.307 1.00 0.00 C ATOM 1283 CD GLN A 112 5.892 -3.012 2.673 1.00 0.00 C ATOM 1284 OE1 GLN A 112 6.560 -2.778 1.679 1.00 0.00 O ATOM 1285 NE2 GLN A 112 5.819 -4.220 3.190 1.00 0.00 N ATOM 0 H GLN A 112 2.065 0.955 2.010 1.00 0.00 H new ATOM 0 HA GLN A 112 2.283 -1.838 2.677 1.00 0.00 H new ATOM 0 HB2 GLN A 112 4.315 -1.574 1.296 1.00 0.00 H new ATOM 0 HB3 GLN A 112 4.774 -0.148 2.206 1.00 0.00 H new ATOM 0 HG2 GLN A 112 5.543 -1.359 3.985 1.00 0.00 H new ATOM 0 HG3 GLN A 112 4.221 -2.508 3.909 1.00 0.00 H new ATOM 0 HE21 GLN A 112 5.252 -4.385 4.022 1.00 0.00 H new ATOM 0 HE22 GLN A 112 6.329 -4.991 2.759 1.00 0.00 H new ATOM 1294 N GLY A 113 2.555 -0.941 5.057 1.00 0.00 N ATOM 1295 CA GLY A 113 2.587 -0.513 6.431 1.00 0.00 C ATOM 1296 C GLY A 113 1.656 -1.456 7.159 1.00 0.00 C ATOM 1297 O GLY A 113 1.819 -2.664 6.999 1.00 0.00 O ATOM 0 H GLY A 113 2.371 -1.941 4.973 1.00 0.00 H new ATOM 0 HA2 GLY A 113 3.597 -0.565 6.837 1.00 0.00 H new ATOM 0 HA3 GLY A 113 2.257 0.521 6.530 1.00 0.00 H new ATOM 1301 N GLU A 114 0.643 -0.977 7.864 1.00 0.00 N ATOM 1302 CA GLU A 114 -0.046 -1.757 8.874 1.00 0.00 C ATOM 1303 C GLU A 114 -1.539 -1.699 8.616 1.00 0.00 C ATOM 1304 O GLU A 114 -2.035 -0.789 7.960 1.00 0.00 O ATOM 1305 CB GLU A 114 0.307 -1.237 10.278 1.00 0.00 C ATOM 1306 CG GLU A 114 1.556 -1.891 10.899 1.00 0.00 C ATOM 1307 CD GLU A 114 2.924 -1.297 10.539 1.00 0.00 C ATOM 1308 OE1 GLU A 114 3.046 -0.285 9.807 1.00 0.00 O ATOM 1309 OE2 GLU A 114 3.925 -1.856 11.049 1.00 0.00 O ATOM 0 H GLU A 114 0.276 -0.032 7.749 1.00 0.00 H new ATOM 0 HA GLU A 114 0.273 -2.798 8.821 1.00 0.00 H new ATOM 0 HB2 GLU A 114 0.463 -0.160 10.225 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -0.543 -1.404 10.939 1.00 0.00 H new ATOM 0 HG2 GLU A 114 1.449 -1.856 11.983 1.00 0.00 H new ATOM 0 HG3 GLU A 114 1.561 -2.943 10.613 1.00 0.00 H new ATOM 1316 N LEU A 115 -2.271 -2.687 9.112 1.00 0.00 N ATOM 1317 CA LEU A 115 -3.731 -2.696 9.113 1.00 0.00 C ATOM 1318 C LEU A 115 -4.246 -1.998 10.378 1.00 0.00 C ATOM 1319 O LEU A 115 -3.676 -2.220 11.448 1.00 0.00 O ATOM 1320 CB LEU A 115 -4.202 -4.153 9.005 1.00 0.00 C ATOM 1321 CG LEU A 115 -5.183 -4.336 7.819 1.00 0.00 C ATOM 1322 CD1 LEU A 115 -5.572 -5.799 7.586 1.00 0.00 C ATOM 1323 CD2 LEU A 115 -6.446 -3.482 7.891 1.00 0.00 C ATOM 0 H LEU A 115 -1.861 -3.521 9.533 1.00 0.00 H new ATOM 0 HA LEU A 115 -4.134 -2.146 8.263 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -3.341 -4.808 8.873 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -4.689 -4.451 9.933 1.00 0.00 H new ATOM 0 HG LEU A 115 -4.604 -3.978 6.967 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -6.260 -5.863 6.743 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -4.678 -6.383 7.369 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -6.055 -6.194 8.480 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -7.069 -3.679 7.019 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -7.001 -3.728 8.796 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -6.171 -2.427 7.910 1.00 0.00 H new ATOM 1335 N GLU A 116 -5.286 -1.158 10.279 1.00 0.00 N ATOM 1336 CA GLU A 116 -5.922 -0.536 11.441 1.00 0.00 C ATOM 1337 C GLU A 116 -7.191 -1.308 11.787 1.00 0.00 C ATOM 1338 O GLU A 116 -7.162 -2.167 12.661 1.00 0.00 O ATOM 1339 CB GLU A 116 -6.174 0.976 11.238 1.00 0.00 C ATOM 1340 CG GLU A 116 -5.814 1.793 12.494 1.00 0.00 C ATOM 1341 CD GLU A 116 -6.721 1.566 13.714 1.00 0.00 C ATOM 1342 OE1 GLU A 116 -6.521 0.597 14.484 1.00 0.00 O ATOM 1343 OE2 GLU A 116 -7.625 2.414 13.936 1.00 0.00 O ATOM 0 H GLU A 116 -5.708 -0.893 9.389 1.00 0.00 H new ATOM 0 HA GLU A 116 -5.241 -0.593 12.290 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -5.585 1.332 10.393 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -7.222 1.139 10.987 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -4.788 1.558 12.777 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -5.839 2.852 12.237 1.00 0.00 H new ATOM 1350 N LYS A 117 -8.300 -0.996 11.118 1.00 0.00 N ATOM 1351 CA LYS A 117 -9.666 -1.439 11.329 1.00 0.00 C ATOM 1352 C LYS A 117 -10.481 -0.878 10.171 1.00 0.00 C ATOM 1353 O LYS A 117 -9.996 0.005 9.471 1.00 0.00 O ATOM 1354 CB LYS A 117 -10.198 -0.839 12.636 1.00 0.00 C ATOM 1355 CG LYS A 117 -9.880 -1.733 13.843 1.00 0.00 C ATOM 1356 CD LYS A 117 -11.065 -1.752 14.802 1.00 0.00 C ATOM 1357 CE LYS A 117 -12.231 -2.526 14.171 1.00 0.00 C ATOM 1358 NZ LYS A 117 -13.478 -1.737 14.157 1.00 0.00 N ATOM 0 H LYS A 117 -8.250 -0.354 10.327 1.00 0.00 H new ATOM 0 HA LYS A 117 -9.726 -2.526 11.383 1.00 0.00 H new ATOM 0 HB2 LYS A 117 -9.760 0.147 12.788 1.00 0.00 H new ATOM 0 HB3 LYS A 117 -11.276 -0.700 12.560 1.00 0.00 H new ATOM 0 HG2 LYS A 117 -9.656 -2.746 13.507 1.00 0.00 H new ATOM 0 HG3 LYS A 117 -8.992 -1.364 14.356 1.00 0.00 H new ATOM 0 HD2 LYS A 117 -10.775 -2.217 15.744 1.00 0.00 H new ATOM 0 HD3 LYS A 117 -11.375 -0.733 15.032 1.00 0.00 H new ATOM 0 HE2 LYS A 117 -11.969 -2.807 13.151 1.00 0.00 H new ATOM 0 HE3 LYS A 117 -12.394 -3.451 14.725 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 -14.239 -2.298 13.723 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 -13.743 -1.490 15.132 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 -13.332 -0.867 13.607 1.00 0.00 H new ATOM 1372 N GLY A 118 -11.719 -1.339 9.981 1.00 0.00 N ATOM 1373 CA GLY A 118 -12.634 -0.722 9.029 1.00 0.00 C ATOM 1374 C GLY A 118 -12.079 -0.674 7.608 1.00 0.00 C ATOM 1375 O GLY A 118 -12.508 0.173 6.831 1.00 0.00 O ATOM 0 H GLY A 118 -12.108 -2.140 10.478 1.00 0.00 H new ATOM 0 HA2 GLY A 118 -13.573 -1.275 9.027 1.00 0.00 H new ATOM 0 HA3 GLY A 118 -12.861 0.292 9.358 1.00 0.00 H new ATOM 1379 N ASN A 119 -11.144 -1.572 7.272 1.00 0.00 N ATOM 1380 CA ASN A 119 -10.446 -1.634 5.993 1.00 0.00 C ATOM 1381 C ASN A 119 -9.617 -0.364 5.754 1.00 0.00 C ATOM 1382 O ASN A 119 -9.801 0.327 4.753 1.00 0.00 O ATOM 1383 CB ASN A 119 -11.420 -1.950 4.839 1.00 0.00 C ATOM 1384 CG ASN A 119 -12.491 -2.970 5.175 1.00 0.00 C ATOM 1385 OD1 ASN A 119 -13.685 -2.740 4.977 1.00 0.00 O ATOM 1386 ND2 ASN A 119 -12.091 -4.134 5.653 1.00 0.00 N ATOM 0 H ASN A 119 -10.845 -2.304 7.916 1.00 0.00 H new ATOM 0 HA ASN A 119 -9.737 -2.461 6.026 1.00 0.00 H new ATOM 0 HB2 ASN A 119 -11.904 -1.025 4.526 1.00 0.00 H new ATOM 0 HB3 ASN A 119 -10.846 -2.313 3.986 1.00 0.00 H new ATOM 0 HD21 ASN A 119 -12.775 -4.861 5.865 1.00 0.00 H new ATOM 0 HD22 ASN A 119 -11.098 -4.307 5.811 1.00 0.00 H new ATOM 1393 N HIS A 120 -8.687 -0.069 6.669 1.00 0.00 N ATOM 1394 CA HIS A 120 -7.841 1.119 6.647 1.00 0.00 C ATOM 1395 C HIS A 120 -6.407 0.661 6.867 1.00 0.00 C ATOM 1396 O HIS A 120 -6.131 -0.071 7.818 1.00 0.00 O ATOM 1397 CB HIS A 120 -8.281 2.106 7.741 1.00 0.00 C ATOM 1398 CG HIS A 120 -7.369 3.281 8.001 1.00 0.00 C ATOM 1399 ND1 HIS A 120 -7.307 4.006 9.171 1.00 0.00 N ATOM 1400 CD2 HIS A 120 -6.415 3.786 7.164 1.00 0.00 C ATOM 1401 CE1 HIS A 120 -6.352 4.940 9.027 1.00 0.00 C ATOM 1402 NE2 HIS A 120 -5.794 4.845 7.816 1.00 0.00 N ATOM 0 H HIS A 120 -8.500 -0.673 7.469 1.00 0.00 H new ATOM 0 HA HIS A 120 -7.925 1.638 5.692 1.00 0.00 H new ATOM 0 HB2 HIS A 120 -9.265 2.492 7.475 1.00 0.00 H new ATOM 0 HB3 HIS A 120 -8.396 1.552 8.673 1.00 0.00 H new ATOM 0 HD1 HIS A 120 -7.884 3.860 9.999 1.00 0.00 H new ATOM 0 HD2 HIS A 120 -6.184 3.426 6.172 1.00 0.00 H new ATOM 0 HE1 HIS A 120 -6.075 5.663 9.780 1.00 0.00 H new ATOM 1410 N ILE A 121 -5.517 1.075 5.974 1.00 0.00 N ATOM 1411 CA ILE A 121 -4.096 0.803 5.980 1.00 0.00 C ATOM 1412 C ILE A 121 -3.355 2.040 6.475 1.00 0.00 C ATOM 1413 O ILE A 121 -3.469 3.124 5.903 1.00 0.00 O ATOM 1414 CB ILE A 121 -3.654 0.436 4.552 1.00 0.00 C ATOM 1415 CG1 ILE A 121 -4.626 -0.473 3.755 1.00 0.00 C ATOM 1416 CG2 ILE A 121 -2.260 -0.191 4.641 1.00 0.00 C ATOM 1417 CD1 ILE A 121 -4.726 -1.921 4.234 1.00 0.00 C ATOM 0 H ILE A 121 -5.793 1.647 5.176 1.00 0.00 H new ATOM 0 HA ILE A 121 -3.867 -0.030 6.645 1.00 0.00 H new ATOM 0 HB ILE A 121 -3.650 1.361 3.975 1.00 0.00 H new ATOM 0 HG12 ILE A 121 -5.621 -0.029 3.791 1.00 0.00 H new ATOM 0 HG13 ILE A 121 -4.316 -0.476 2.710 1.00 0.00 H new ATOM 0 HG21 ILE A 121 -1.919 -0.462 3.642 1.00 0.00 H new ATOM 0 HG22 ILE A 121 -1.566 0.526 5.079 1.00 0.00 H new ATOM 0 HG23 ILE A 121 -2.302 -1.084 5.265 1.00 0.00 H new ATOM 0 HD11 ILE A 121 -5.432 -2.464 3.606 1.00 0.00 H new ATOM 0 HD12 ILE A 121 -3.746 -2.394 4.170 1.00 0.00 H new ATOM 0 HD13 ILE A 121 -5.071 -1.939 5.268 1.00 0.00 H new ATOM 1429 N LEU A 122 -2.527 1.863 7.495 1.00 0.00 N ATOM 1430 CA LEU A 122 -1.493 2.805 7.875 1.00 0.00 C ATOM 1431 C LEU A 122 -0.349 2.562 6.915 1.00 0.00 C ATOM 1432 O LEU A 122 0.550 1.776 7.204 1.00 0.00 O ATOM 1433 CB LEU A 122 -1.013 2.515 9.304 1.00 0.00 C ATOM 1434 CG LEU A 122 -1.853 3.101 10.429 1.00 0.00 C ATOM 1435 CD1 LEU A 122 -1.773 4.628 10.503 1.00 0.00 C ATOM 1436 CD2 LEU A 122 -3.322 2.703 10.332 1.00 0.00 C ATOM 0 H LEU A 122 -2.560 1.038 8.094 1.00 0.00 H new ATOM 0 HA LEU A 122 -1.858 3.831 7.840 1.00 0.00 H new ATOM 0 HB2 LEU A 122 -0.969 1.434 9.437 1.00 0.00 H new ATOM 0 HB3 LEU A 122 0.005 2.891 9.406 1.00 0.00 H new ATOM 0 HG LEU A 122 -1.422 2.679 11.336 1.00 0.00 H new ATOM 0 HD11 LEU A 122 -2.393 4.985 11.325 1.00 0.00 H new ATOM 0 HD12 LEU A 122 -0.739 4.931 10.670 1.00 0.00 H new ATOM 0 HD13 LEU A 122 -2.130 5.057 9.566 1.00 0.00 H new ATOM 0 HD21 LEU A 122 -3.875 3.148 11.159 1.00 0.00 H new ATOM 0 HD22 LEU A 122 -3.734 3.058 9.387 1.00 0.00 H new ATOM 0 HD23 LEU A 122 -3.409 1.618 10.380 1.00 0.00 H new ATOM 1448 N ALA A 123 -0.391 3.161 5.731 1.00 0.00 N ATOM 1449 CA ALA A 123 0.803 3.226 4.917 1.00 0.00 C ATOM 1450 C ALA A 123 1.990 3.824 5.676 1.00 0.00 C ATOM 1451 O ALA A 123 1.853 4.732 6.491 1.00 0.00 O ATOM 1452 CB ALA A 123 0.532 4.045 3.677 1.00 0.00 C ATOM 0 H ALA A 123 -1.219 3.597 5.326 1.00 0.00 H new ATOM 0 HA ALA A 123 1.067 2.204 4.643 1.00 0.00 H new ATOM 0 HB1 ALA A 123 1.434 4.091 3.067 1.00 0.00 H new ATOM 0 HB2 ALA A 123 -0.271 3.582 3.103 1.00 0.00 H new ATOM 0 HB3 ALA A 123 0.237 5.054 3.965 1.00 0.00 H new ATOM 1458 N LYS A 124 3.171 3.345 5.316 1.00 0.00 N ATOM 1459 CA LYS A 124 4.483 3.704 5.825 1.00 0.00 C ATOM 1460 C LYS A 124 5.363 4.274 4.712 1.00 0.00 C ATOM 1461 O LYS A 124 6.320 4.966 5.042 1.00 0.00 O ATOM 1462 CB LYS A 124 5.101 2.488 6.557 1.00 0.00 C ATOM 1463 CG LYS A 124 5.908 1.511 5.672 1.00 0.00 C ATOM 1464 CD LYS A 124 7.403 1.903 5.620 1.00 0.00 C ATOM 1465 CE LYS A 124 8.311 0.991 6.452 1.00 0.00 C ATOM 1466 NZ LYS A 124 8.032 1.021 7.905 1.00 0.00 N ATOM 0 H LYS A 124 3.240 2.629 4.593 1.00 0.00 H new ATOM 0 HA LYS A 124 4.396 4.505 6.560 1.00 0.00 H new ATOM 0 HB2 LYS A 124 5.754 2.857 7.348 1.00 0.00 H new ATOM 0 HB3 LYS A 124 4.298 1.932 7.041 1.00 0.00 H new ATOM 0 HG2 LYS A 124 5.809 0.498 6.062 1.00 0.00 H new ATOM 0 HG3 LYS A 124 5.496 1.506 4.663 1.00 0.00 H new ATOM 0 HD2 LYS A 124 7.738 1.885 4.583 1.00 0.00 H new ATOM 0 HD3 LYS A 124 7.513 2.929 5.973 1.00 0.00 H new ATOM 0 HE2 LYS A 124 8.205 -0.033 6.094 1.00 0.00 H new ATOM 0 HE3 LYS A 124 9.349 1.281 6.286 1.00 0.00 H new ATOM 0 HZ1 LYS A 124 8.686 0.380 8.397 1.00 0.00 H new ATOM 0 HZ2 LYS A 124 8.161 1.989 8.263 1.00 0.00 H new ATOM 0 HZ3 LYS A 124 7.053 0.716 8.077 1.00 0.00 H new ATOM 1480 N GLU A 125 5.053 4.047 3.423 1.00 0.00 N ATOM 1481 CA GLU A 125 5.894 4.523 2.320 1.00 0.00 C ATOM 1482 C GLU A 125 5.134 5.057 1.110 1.00 0.00 C ATOM 1483 O GLU A 125 5.391 6.190 0.718 1.00 0.00 O ATOM 1484 CB GLU A 125 6.936 3.451 1.944 1.00 0.00 C ATOM 1485 CG GLU A 125 6.358 2.151 1.349 1.00 0.00 C ATOM 1486 CD GLU A 125 7.335 0.962 1.420 1.00 0.00 C ATOM 1487 OE1 GLU A 125 7.393 0.334 2.499 1.00 0.00 O ATOM 1488 OE2 GLU A 125 7.976 0.638 0.385 1.00 0.00 O ATOM 0 H GLU A 125 4.223 3.535 3.123 1.00 0.00 H new ATOM 0 HA GLU A 125 6.415 5.404 2.695 1.00 0.00 H new ATOM 0 HB2 GLU A 125 7.633 3.882 1.225 1.00 0.00 H new ATOM 0 HB3 GLU A 125 7.512 3.199 2.835 1.00 0.00 H new ATOM 0 HG2 GLU A 125 5.442 1.892 1.880 1.00 0.00 H new ATOM 0 HG3 GLU A 125 6.084 2.326 0.309 1.00 0.00 H new ATOM 1495 N VAL A 126 4.179 4.288 0.575 1.00 0.00 N ATOM 1496 CA VAL A 126 3.400 4.561 -0.631 1.00 0.00 C ATOM 1497 C VAL A 126 4.284 4.686 -1.884 1.00 0.00 C ATOM 1498 O VAL A 126 5.255 5.432 -1.930 1.00 0.00 O ATOM 1499 CB VAL A 126 2.519 5.798 -0.419 1.00 0.00 C ATOM 1500 CG1 VAL A 126 1.649 6.050 -1.664 1.00 0.00 C ATOM 1501 CG2 VAL A 126 1.576 5.669 0.778 1.00 0.00 C ATOM 0 H VAL A 126 3.915 3.401 1.004 1.00 0.00 H new ATOM 0 HA VAL A 126 2.750 3.705 -0.813 1.00 0.00 H new ATOM 0 HB VAL A 126 3.207 6.623 -0.233 1.00 0.00 H new ATOM 0 HG11 VAL A 126 1.028 6.931 -1.502 1.00 0.00 H new ATOM 0 HG12 VAL A 126 2.291 6.213 -2.530 1.00 0.00 H new ATOM 0 HG13 VAL A 126 1.011 5.184 -1.844 1.00 0.00 H new ATOM 0 HG21 VAL A 126 0.981 6.578 0.872 1.00 0.00 H new ATOM 0 HG22 VAL A 126 0.914 4.816 0.629 1.00 0.00 H new ATOM 0 HG23 VAL A 126 2.160 5.522 1.687 1.00 0.00 H new ATOM 1511 N LEU A 127 3.922 3.972 -2.950 1.00 0.00 N ATOM 1512 CA LEU A 127 4.701 3.910 -4.180 1.00 0.00 C ATOM 1513 C LEU A 127 3.741 4.043 -5.347 1.00 0.00 C ATOM 1514 O LEU A 127 2.627 3.538 -5.274 1.00 0.00 O ATOM 1515 CB LEU A 127 5.417 2.559 -4.258 1.00 0.00 C ATOM 1516 CG LEU A 127 6.419 2.301 -3.111 1.00 0.00 C ATOM 1517 CD1 LEU A 127 6.862 0.838 -3.108 1.00 0.00 C ATOM 1518 CD2 LEU A 127 7.653 3.199 -3.210 1.00 0.00 C ATOM 0 H LEU A 127 3.068 3.415 -2.981 1.00 0.00 H new ATOM 0 HA LEU A 127 5.443 4.708 -4.205 1.00 0.00 H new ATOM 0 HB2 LEU A 127 4.670 1.765 -4.257 1.00 0.00 H new ATOM 0 HB3 LEU A 127 5.947 2.497 -5.208 1.00 0.00 H new ATOM 0 HG LEU A 127 5.901 2.535 -2.181 1.00 0.00 H new ATOM 0 HD11 LEU A 127 7.568 0.673 -2.294 1.00 0.00 H new ATOM 0 HD12 LEU A 127 5.993 0.195 -2.970 1.00 0.00 H new ATOM 0 HD13 LEU A 127 7.342 0.601 -4.058 1.00 0.00 H new ATOM 0 HD21 LEU A 127 8.329 2.982 -2.383 1.00 0.00 H new ATOM 0 HD22 LEU A 127 8.164 3.012 -4.154 1.00 0.00 H new ATOM 0 HD23 LEU A 127 7.347 4.244 -3.164 1.00 0.00 H new ATOM 1530 N ALA A 128 4.160 4.668 -6.441 1.00 0.00 N ATOM 1531 CA ALA A 128 3.308 4.946 -7.598 1.00 0.00 C ATOM 1532 C ALA A 128 3.664 4.019 -8.763 1.00 0.00 C ATOM 1533 O ALA A 128 3.633 4.427 -9.923 1.00 0.00 O ATOM 1534 CB ALA A 128 3.379 6.436 -7.936 1.00 0.00 C ATOM 0 H ALA A 128 5.117 5.003 -6.554 1.00 0.00 H new ATOM 0 HA ALA A 128 2.265 4.730 -7.366 1.00 0.00 H new ATOM 0 HB1 ALA A 128 2.745 6.644 -8.798 1.00 0.00 H new ATOM 0 HB2 ALA A 128 3.034 7.020 -7.082 1.00 0.00 H new ATOM 0 HB3 ALA A 128 4.409 6.708 -8.169 1.00 0.00 H new ATOM 1540 N LYS A 129 4.049 2.775 -8.446 1.00 0.00 N ATOM 1541 CA LYS A 129 4.326 1.695 -9.400 1.00 0.00 C ATOM 1542 C LYS A 129 5.052 2.140 -10.683 1.00 0.00 C ATOM 1543 O LYS A 129 4.609 1.823 -11.793 1.00 0.00 O ATOM 1544 CB LYS A 129 3.013 0.910 -9.637 1.00 0.00 C ATOM 1545 CG LYS A 129 2.882 -0.272 -8.660 1.00 0.00 C ATOM 1546 CD LYS A 129 3.701 -1.507 -9.069 1.00 0.00 C ATOM 1547 CE LYS A 129 3.152 -2.093 -10.379 1.00 0.00 C ATOM 1548 NZ LYS A 129 3.861 -3.311 -10.805 1.00 0.00 N ATOM 0 H LYS A 129 4.181 2.483 -7.478 1.00 0.00 H new ATOM 0 HA LYS A 129 5.062 1.021 -8.962 1.00 0.00 H new ATOM 0 HB2 LYS A 129 2.161 1.579 -9.518 1.00 0.00 H new ATOM 0 HB3 LYS A 129 2.988 0.541 -10.662 1.00 0.00 H new ATOM 0 HG2 LYS A 129 3.199 0.051 -7.669 1.00 0.00 H new ATOM 0 HG3 LYS A 129 1.832 -0.553 -8.583 1.00 0.00 H new ATOM 0 HD2 LYS A 129 4.749 -1.233 -9.195 1.00 0.00 H new ATOM 0 HD3 LYS A 129 3.660 -2.258 -8.280 1.00 0.00 H new ATOM 0 HE2 LYS A 129 2.093 -2.320 -10.254 1.00 0.00 H new ATOM 0 HE3 LYS A 129 3.226 -1.342 -11.166 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 3.448 -3.661 -11.693 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 4.867 -3.093 -10.953 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 3.770 -4.041 -10.070 1.00 0.00 H new