USER MOD reduce.3.24.130724 H: found=0, std=0, add=525, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 526 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 Single : A 6 THR OG1 : rot 66:sc= 0.475 USER MOD Single : A 10 SER OG : rot -160:sc= -0.132 USER MOD Single : A 12 SER OG : rot 180:sc= -0.28 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= -0.214 K(o=-0.21,f=-1.3!) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot 168:sc= 0.147 USER MOD Single : A 26 HIS : no HD1:sc= -0.355 K(o=-0.36,f=-0.86) USER MOD Single : A 31 SER OG : rot 173:sc= -0.112 USER MOD Single : A 32 SER OG : rot 180:sc= 0.0487 USER MOD Single : A 33 TYR OH : rot -15:sc= -3.74! USER MOD Single : A 36 MET CE :methyl -155:sc= 0 (180deg=-1.19) USER MOD Single : A 39 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 ASN : amide:sc= -0.43 X(o=-0.43,f=0) USER MOD Single : A 48 GLN :FLIP amide:sc= -0.946 F(o=-1.9,f=-0.95) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 TYR OH : rot 23:sc= -4.91! USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 CYS SG : rot 180:sc= -0.193 USER MOD ----------------------------------------------------------------- ATOM 75 N THR A 6 5.461 -0.236 -8.337 1.00 0.00 N ATOM 76 CA THR A 6 6.068 -0.385 -7.018 1.00 0.00 C ATOM 77 C THR A 6 5.795 0.834 -6.139 1.00 0.00 C ATOM 78 O THR A 6 6.687 1.321 -5.444 1.00 0.00 O ATOM 79 CB THR A 6 7.576 -0.603 -7.153 1.00 0.00 C ATOM 80 OG1 THR A 6 8.229 0.608 -7.494 1.00 0.00 O ATOM 81 CG2 THR A 6 7.941 -1.632 -8.202 1.00 0.00 C ATOM 0 HA THR A 6 5.619 -1.255 -6.540 1.00 0.00 H new ATOM 0 HB THR A 6 7.903 -0.968 -6.180 1.00 0.00 H new ATOM 0 HG1 THR A 6 8.147 1.244 -6.753 1.00 0.00 H new ATOM 0 HG21 THR A 6 9.025 -1.738 -8.246 1.00 0.00 H new ATOM 0 HG22 THR A 6 7.493 -2.591 -7.942 1.00 0.00 H new ATOM 0 HG23 THR A 6 7.568 -1.309 -9.174 1.00 0.00 H new ATOM 89 N VAL A 7 4.558 1.320 -6.168 1.00 0.00 N ATOM 90 CA VAL A 7 4.173 2.478 -5.369 1.00 0.00 C ATOM 91 C VAL A 7 2.722 2.375 -4.911 1.00 0.00 C ATOM 92 O VAL A 7 1.989 1.483 -5.338 1.00 0.00 O ATOM 93 CB VAL A 7 4.365 3.787 -6.148 1.00 0.00 C ATOM 94 CG1 VAL A 7 5.820 3.964 -6.558 1.00 0.00 C ATOM 95 CG2 VAL A 7 3.456 3.799 -7.353 1.00 0.00 C ATOM 0 H VAL A 7 3.806 0.930 -6.736 1.00 0.00 H new ATOM 0 HA VAL A 7 4.824 2.488 -4.495 1.00 0.00 H new ATOM 0 HB VAL A 7 4.102 4.625 -5.503 1.00 0.00 H new ATOM 0 HG11 VAL A 7 5.932 4.898 -7.109 1.00 0.00 H new ATOM 0 HG12 VAL A 7 6.448 3.990 -5.668 1.00 0.00 H new ATOM 0 HG13 VAL A 7 6.123 3.131 -7.192 1.00 0.00 H new ATOM 0 HG21 VAL A 7 3.594 4.729 -7.904 1.00 0.00 H new ATOM 0 HG22 VAL A 7 3.697 2.955 -7.999 1.00 0.00 H new ATOM 0 HG23 VAL A 7 2.419 3.721 -7.027 1.00 0.00 H new ATOM 105 N LEU A 8 2.310 3.294 -4.043 1.00 0.00 N ATOM 106 CA LEU A 8 0.943 3.301 -3.534 1.00 0.00 C ATOM 107 C LEU A 8 0.478 4.719 -3.223 1.00 0.00 C ATOM 108 O LEU A 8 0.665 5.218 -2.113 1.00 0.00 O ATOM 109 CB LEU A 8 0.834 2.438 -2.279 1.00 0.00 C ATOM 110 CG LEU A 8 -0.382 1.511 -2.237 1.00 0.00 C ATOM 111 CD1 LEU A 8 -1.665 2.307 -2.422 1.00 0.00 C ATOM 112 CD2 LEU A 8 -0.264 0.430 -3.301 1.00 0.00 C ATOM 0 H LEU A 8 2.901 4.041 -3.678 1.00 0.00 H new ATOM 0 HA LEU A 8 0.300 2.888 -4.311 1.00 0.00 H new ATOM 0 HB2 LEU A 8 1.737 1.833 -2.192 1.00 0.00 H new ATOM 0 HB3 LEU A 8 0.804 3.092 -1.408 1.00 0.00 H new ATOM 0 HG LEU A 8 -0.416 1.029 -1.260 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -2.520 1.632 -2.389 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -1.754 3.044 -1.624 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -1.641 2.816 -3.385 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -1.137 -0.221 -3.257 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -0.206 0.894 -4.286 1.00 0.00 H new ATOM 0 HD23 LEU A 8 0.636 -0.159 -3.123 1.00 0.00 H new ATOM 124 N ARG A 9 -0.133 5.356 -4.209 1.00 0.00 N ATOM 125 CA ARG A 9 -0.638 6.715 -4.050 1.00 0.00 C ATOM 126 C ARG A 9 -2.094 6.700 -3.597 1.00 0.00 C ATOM 127 O ARG A 9 -2.856 5.802 -3.955 1.00 0.00 O ATOM 128 CB ARG A 9 -0.504 7.489 -5.362 1.00 0.00 C ATOM 129 CG ARG A 9 0.902 8.001 -5.625 1.00 0.00 C ATOM 130 CD ARG A 9 1.756 6.954 -6.321 1.00 0.00 C ATOM 131 NE ARG A 9 3.010 7.513 -6.819 1.00 0.00 N ATOM 132 CZ ARG A 9 3.089 8.367 -7.837 1.00 0.00 C ATOM 133 NH1 ARG A 9 1.990 8.762 -8.468 1.00 0.00 N ATOM 134 NH2 ARG A 9 4.270 8.828 -8.226 1.00 0.00 N ATOM 0 H ARG A 9 -0.293 4.954 -5.133 1.00 0.00 H new ATOM 0 HA ARG A 9 -0.043 7.213 -3.284 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -0.807 6.844 -6.187 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -1.193 8.334 -5.348 1.00 0.00 H new ATOM 0 HG2 ARG A 9 0.854 8.900 -6.240 1.00 0.00 H new ATOM 0 HG3 ARG A 9 1.369 8.285 -4.682 1.00 0.00 H new ATOM 0 HD2 ARG A 9 1.972 6.142 -5.626 1.00 0.00 H new ATOM 0 HD3 ARG A 9 1.196 6.523 -7.151 1.00 0.00 H new ATOM 0 HE ARG A 9 3.876 7.232 -6.360 1.00 0.00 H new ATOM 0 HH11 ARG A 9 1.079 8.411 -8.173 1.00 0.00 H new ATOM 0 HH12 ARG A 9 2.057 9.417 -9.247 1.00 0.00 H new ATOM 0 HH21 ARG A 9 5.118 8.528 -7.745 1.00 0.00 H new ATOM 0 HH22 ARG A 9 4.330 9.482 -9.006 1.00 0.00 H new ATOM 148 N SER A 10 -2.476 7.700 -2.810 1.00 0.00 N ATOM 149 CA SER A 10 -3.844 7.799 -2.313 1.00 0.00 C ATOM 150 C SER A 10 -4.816 8.092 -3.454 1.00 0.00 C ATOM 151 O SER A 10 -4.484 8.818 -4.391 1.00 0.00 O ATOM 152 CB SER A 10 -3.944 8.891 -1.245 1.00 0.00 C ATOM 153 OG SER A 10 -4.550 8.395 -0.063 1.00 0.00 O ATOM 0 H SER A 10 -1.859 8.452 -2.503 1.00 0.00 H new ATOM 0 HA SER A 10 -4.114 6.842 -1.867 1.00 0.00 H new ATOM 0 HB2 SER A 10 -2.949 9.271 -1.015 1.00 0.00 H new ATOM 0 HB3 SER A 10 -4.524 9.729 -1.631 1.00 0.00 H new ATOM 0 HG SER A 10 -4.890 9.144 0.469 1.00 0.00 H new ATOM 159 N PRO A 11 -6.035 7.528 -3.391 1.00 0.00 N ATOM 160 CA PRO A 11 -7.053 7.734 -4.426 1.00 0.00 C ATOM 161 C PRO A 11 -7.677 9.123 -4.359 1.00 0.00 C ATOM 162 O PRO A 11 -8.100 9.674 -5.376 1.00 0.00 O ATOM 163 CB PRO A 11 -8.096 6.663 -4.108 1.00 0.00 C ATOM 164 CG PRO A 11 -7.971 6.442 -2.641 1.00 0.00 C ATOM 165 CD PRO A 11 -6.517 6.646 -2.310 1.00 0.00 C ATOM 0 HA PRO A 11 -6.636 7.661 -5.430 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -9.099 6.995 -4.375 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -7.905 5.746 -4.665 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -8.598 7.140 -2.087 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -8.295 5.437 -2.369 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -6.390 7.106 -1.330 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -5.974 5.701 -2.291 1.00 0.00 H new ATOM 173 N SER A 12 -7.733 9.686 -3.157 1.00 0.00 N ATOM 174 CA SER A 12 -8.308 11.012 -2.961 1.00 0.00 C ATOM 175 C SER A 12 -7.709 11.690 -1.733 1.00 0.00 C ATOM 176 O SER A 12 -6.828 11.138 -1.074 1.00 0.00 O ATOM 177 CB SER A 12 -9.828 10.914 -2.812 1.00 0.00 C ATOM 178 OG SER A 12 -10.381 10.050 -3.790 1.00 0.00 O ATOM 0 H SER A 12 -7.388 9.245 -2.304 1.00 0.00 H new ATOM 0 HA SER A 12 -8.073 11.615 -3.838 1.00 0.00 H new ATOM 0 HB2 SER A 12 -10.076 10.547 -1.816 1.00 0.00 H new ATOM 0 HB3 SER A 12 -10.271 11.906 -2.906 1.00 0.00 H new ATOM 0 HG SER A 12 -11.353 10.003 -3.673 1.00 0.00 H new ATOM 184 N ALA A 13 -8.194 12.891 -1.433 1.00 0.00 N ATOM 185 CA ALA A 13 -7.707 13.646 -0.285 1.00 0.00 C ATOM 186 C ALA A 13 -8.268 13.086 1.018 1.00 0.00 C ATOM 187 O ALA A 13 -9.470 13.168 1.274 1.00 0.00 O ATOM 188 CB ALA A 13 -8.069 15.116 -0.429 1.00 0.00 C ATOM 0 H ALA A 13 -8.923 13.361 -1.969 1.00 0.00 H new ATOM 0 HA ALA A 13 -6.622 13.552 -0.253 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -7.699 15.668 0.435 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -7.615 15.515 -1.336 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -9.152 15.220 -0.489 1.00 0.00 H new ATOM 194 N GLY A 14 -7.391 12.517 1.838 1.00 0.00 N ATOM 195 CA GLY A 14 -7.817 11.952 3.104 1.00 0.00 C ATOM 196 C GLY A 14 -6.839 12.239 4.225 1.00 0.00 C ATOM 197 O GLY A 14 -6.253 13.320 4.287 1.00 0.00 O ATOM 0 H GLY A 14 -6.392 12.437 1.648 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -8.795 12.355 3.367 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -7.935 10.874 2.996 1.00 0.00 H new ATOM 201 N LYS A 15 -6.660 11.268 5.115 1.00 0.00 N ATOM 202 CA LYS A 15 -5.746 11.420 6.240 1.00 0.00 C ATOM 203 C LYS A 15 -5.393 10.063 6.840 1.00 0.00 C ATOM 204 O LYS A 15 -6.248 9.187 6.961 1.00 0.00 O ATOM 205 CB LYS A 15 -6.365 12.319 7.311 1.00 0.00 C ATOM 206 CG LYS A 15 -5.341 12.957 8.235 1.00 0.00 C ATOM 207 CD LYS A 15 -5.403 12.363 9.633 1.00 0.00 C ATOM 208 CE LYS A 15 -6.574 12.924 10.425 1.00 0.00 C ATOM 209 NZ LYS A 15 -6.179 13.295 11.812 1.00 0.00 N ATOM 0 H LYS A 15 -7.137 10.367 5.078 1.00 0.00 H new ATOM 0 HA LYS A 15 -4.831 11.884 5.872 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -6.943 13.105 6.824 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -7.064 11.732 7.907 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -4.341 12.817 7.823 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -5.517 14.031 8.287 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -5.494 11.279 9.565 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -4.472 12.572 10.160 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -6.971 13.801 9.914 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -7.375 12.186 10.461 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -7.005 13.673 12.319 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -5.824 12.453 12.309 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -5.432 14.018 11.779 1.00 0.00 H new ATOM 223 N LEU A 16 -4.129 9.897 7.212 1.00 0.00 N ATOM 224 CA LEU A 16 -3.663 8.645 7.799 1.00 0.00 C ATOM 225 C LEU A 16 -4.273 8.432 9.180 1.00 0.00 C ATOM 226 O LEU A 16 -3.789 8.973 10.174 1.00 0.00 O ATOM 227 CB LEU A 16 -2.135 8.643 7.896 1.00 0.00 C ATOM 228 CG LEU A 16 -1.486 7.258 7.912 1.00 0.00 C ATOM 229 CD1 LEU A 16 -1.963 6.430 6.728 1.00 0.00 C ATOM 230 CD2 LEU A 16 0.030 7.382 7.902 1.00 0.00 C ATOM 0 H LEU A 16 -3.408 10.613 7.118 1.00 0.00 H new ATOM 0 HA LEU A 16 -3.981 7.827 7.152 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -1.733 9.206 7.054 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -1.844 9.174 8.802 1.00 0.00 H new ATOM 0 HG LEU A 16 -1.784 6.748 8.828 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -1.490 5.448 6.757 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -3.046 6.313 6.778 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -1.695 6.935 5.800 1.00 0.00 H new ATOM 0 HD21 LEU A 16 0.476 6.388 7.914 1.00 0.00 H new ATOM 0 HD22 LEU A 16 0.346 7.911 7.003 1.00 0.00 H new ATOM 0 HD23 LEU A 16 0.356 7.936 8.782 1.00 0.00 H new ATOM 242 N THR A 17 -5.341 7.642 9.235 1.00 0.00 N ATOM 243 CA THR A 17 -6.020 7.359 10.494 1.00 0.00 C ATOM 244 C THR A 17 -5.232 6.357 11.335 1.00 0.00 C ATOM 245 O THR A 17 -5.127 6.504 12.552 1.00 0.00 O ATOM 246 CB THR A 17 -7.432 6.828 10.231 1.00 0.00 C ATOM 247 OG1 THR A 17 -8.165 6.735 11.439 1.00 0.00 O ATOM 248 CG2 THR A 17 -7.449 5.463 9.579 1.00 0.00 C ATOM 0 H THR A 17 -5.755 7.186 8.422 1.00 0.00 H new ATOM 0 HA THR A 17 -6.089 8.292 11.053 1.00 0.00 H new ATOM 0 HB THR A 17 -7.886 7.544 9.546 1.00 0.00 H new ATOM 0 HG1 THR A 17 -9.065 6.395 11.250 1.00 0.00 H new ATOM 0 HG21 THR A 17 -8.480 5.148 9.422 1.00 0.00 H new ATOM 0 HG22 THR A 17 -6.934 5.512 8.620 1.00 0.00 H new ATOM 0 HG23 THR A 17 -6.945 4.745 10.225 1.00 0.00 H new ATOM 256 N GLN A 18 -4.682 5.338 10.680 1.00 0.00 N ATOM 257 CA GLN A 18 -3.909 4.315 11.376 1.00 0.00 C ATOM 258 C GLN A 18 -3.120 3.460 10.386 1.00 0.00 C ATOM 259 O GLN A 18 -2.916 3.854 9.238 1.00 0.00 O ATOM 260 CB GLN A 18 -4.839 3.434 12.216 1.00 0.00 C ATOM 261 CG GLN A 18 -4.419 3.324 13.672 1.00 0.00 C ATOM 262 CD GLN A 18 -5.326 4.106 14.602 1.00 0.00 C ATOM 263 OE1 GLN A 18 -6.525 4.236 14.355 1.00 0.00 O ATOM 264 NE2 GLN A 18 -4.756 4.632 15.680 1.00 0.00 N ATOM 0 H GLN A 18 -4.757 5.199 9.672 1.00 0.00 H new ATOM 0 HA GLN A 18 -3.198 4.812 12.037 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -5.850 3.838 12.167 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -4.873 2.436 11.780 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -4.419 2.275 13.968 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -3.396 3.685 13.779 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -3.758 4.499 15.845 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -5.316 5.169 16.342 1.00 0.00 H new ATOM 273 N TYR A 19 -2.678 2.289 10.838 1.00 0.00 N ATOM 274 CA TYR A 19 -1.913 1.382 9.990 1.00 0.00 C ATOM 275 C TYR A 19 -2.139 -0.069 10.401 1.00 0.00 C ATOM 276 O TYR A 19 -2.164 -0.393 11.588 1.00 0.00 O ATOM 277 CB TYR A 19 -0.423 1.717 10.066 1.00 0.00 C ATOM 278 CG TYR A 19 0.121 1.747 11.476 1.00 0.00 C ATOM 279 CD1 TYR A 19 0.581 0.588 12.089 1.00 0.00 C ATOM 280 CD2 TYR A 19 0.175 2.935 12.195 1.00 0.00 C ATOM 281 CE1 TYR A 19 1.079 0.612 13.378 1.00 0.00 C ATOM 282 CE2 TYR A 19 0.672 2.967 13.485 1.00 0.00 C ATOM 283 CZ TYR A 19 1.122 1.803 14.071 1.00 0.00 C ATOM 284 OH TYR A 19 1.617 1.830 15.355 1.00 0.00 O ATOM 0 H TYR A 19 -2.837 1.947 11.786 1.00 0.00 H new ATOM 0 HA TYR A 19 -2.257 1.508 8.963 1.00 0.00 H new ATOM 0 HB2 TYR A 19 0.136 0.983 9.486 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -0.253 2.687 9.600 1.00 0.00 H new ATOM 0 HD1 TYR A 19 0.549 -0.347 11.549 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -0.177 3.848 11.739 1.00 0.00 H new ATOM 0 HE1 TYR A 19 1.433 -0.298 13.840 1.00 0.00 H new ATOM 0 HE2 TYR A 19 0.707 3.899 14.030 1.00 0.00 H new ATOM 0 HH TYR A 19 1.579 2.746 15.701 1.00 0.00 H new ATOM 294 N THR A 20 -2.307 -0.938 9.409 1.00 0.00 N ATOM 295 CA THR A 20 -2.535 -2.357 9.664 1.00 0.00 C ATOM 296 C THR A 20 -1.232 -3.154 9.594 1.00 0.00 C ATOM 297 O THR A 20 -1.196 -4.327 9.963 1.00 0.00 O ATOM 298 CB THR A 20 -3.543 -2.922 8.661 1.00 0.00 C ATOM 299 OG1 THR A 20 -2.911 -3.225 7.430 1.00 0.00 O ATOM 300 CG2 THR A 20 -4.691 -1.980 8.367 1.00 0.00 C ATOM 0 H THR A 20 -2.290 -0.685 8.421 1.00 0.00 H new ATOM 0 HA THR A 20 -2.938 -2.451 10.673 1.00 0.00 H new ATOM 0 HB THR A 20 -3.943 -3.820 9.132 1.00 0.00 H new ATOM 0 HG1 THR A 20 -3.514 -3.763 6.876 1.00 0.00 H new ATOM 0 HG21 THR A 20 -5.367 -2.444 7.649 1.00 0.00 H new ATOM 0 HG22 THR A 20 -5.232 -1.766 9.289 1.00 0.00 H new ATOM 0 HG23 THR A 20 -4.302 -1.051 7.951 1.00 0.00 H new ATOM 308 N VAL A 21 -0.165 -2.516 9.117 1.00 0.00 N ATOM 309 CA VAL A 21 1.128 -3.179 9.002 1.00 0.00 C ATOM 310 C VAL A 21 2.275 -2.188 9.165 1.00 0.00 C ATOM 311 O VAL A 21 2.194 -1.048 8.707 1.00 0.00 O ATOM 312 CB VAL A 21 1.273 -3.898 7.648 1.00 0.00 C ATOM 313 CG1 VAL A 21 0.235 -5.001 7.514 1.00 0.00 C ATOM 314 CG2 VAL A 21 1.158 -2.905 6.500 1.00 0.00 C ATOM 0 H VAL A 21 -0.172 -1.545 8.806 1.00 0.00 H new ATOM 0 HA VAL A 21 1.175 -3.916 9.803 1.00 0.00 H new ATOM 0 HB VAL A 21 2.262 -4.355 7.605 1.00 0.00 H new ATOM 0 HG11 VAL A 21 0.354 -5.497 6.551 1.00 0.00 H new ATOM 0 HG12 VAL A 21 0.370 -5.727 8.315 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -0.764 -4.570 7.580 1.00 0.00 H new ATOM 0 HG21 VAL A 21 1.263 -3.432 5.551 1.00 0.00 H new ATOM 0 HG22 VAL A 21 0.184 -2.416 6.538 1.00 0.00 H new ATOM 0 HG23 VAL A 21 1.944 -2.155 6.588 1.00 0.00 H new ATOM 324 N GLU A 22 3.343 -2.632 9.820 1.00 0.00 N ATOM 325 CA GLU A 22 4.510 -1.787 10.045 1.00 0.00 C ATOM 326 C GLU A 22 5.232 -1.493 8.734 1.00 0.00 C ATOM 327 O GLU A 22 4.805 -1.932 7.666 1.00 0.00 O ATOM 328 CB GLU A 22 5.470 -2.462 11.027 1.00 0.00 C ATOM 329 CG GLU A 22 6.053 -3.767 10.507 1.00 0.00 C ATOM 330 CD GLU A 22 5.939 -4.898 11.510 1.00 0.00 C ATOM 331 OE1 GLU A 22 4.839 -5.088 12.069 1.00 0.00 O ATOM 332 OE2 GLU A 22 6.951 -5.594 11.737 1.00 0.00 O ATOM 0 H GLU A 22 3.424 -3.573 10.205 1.00 0.00 H new ATOM 0 HA GLU A 22 4.167 -0.843 10.469 1.00 0.00 H new ATOM 0 HB2 GLU A 22 6.285 -1.775 11.256 1.00 0.00 H new ATOM 0 HB3 GLU A 22 4.944 -2.655 11.962 1.00 0.00 H new ATOM 0 HG2 GLU A 22 5.540 -4.049 9.588 1.00 0.00 H new ATOM 0 HG3 GLU A 22 7.102 -3.616 10.253 1.00 0.00 H new ATOM 339 N ASP A 23 6.331 -0.750 8.824 1.00 0.00 N ATOM 340 CA ASP A 23 7.115 -0.399 7.645 1.00 0.00 C ATOM 341 C ASP A 23 7.623 -1.652 6.939 1.00 0.00 C ATOM 342 O ASP A 23 8.253 -2.511 7.555 1.00 0.00 O ATOM 343 CB ASP A 23 8.294 0.493 8.038 1.00 0.00 C ATOM 344 CG ASP A 23 7.850 1.862 8.513 1.00 0.00 C ATOM 345 OD1 ASP A 23 7.243 1.945 9.602 1.00 0.00 O ATOM 346 OD2 ASP A 23 8.109 2.852 7.796 1.00 0.00 O ATOM 0 H ASP A 23 6.698 -0.380 9.701 1.00 0.00 H new ATOM 0 HA ASP A 23 6.469 0.147 6.958 1.00 0.00 H new ATOM 0 HB2 ASP A 23 8.867 0.006 8.827 1.00 0.00 H new ATOM 0 HB3 ASP A 23 8.961 0.607 7.183 1.00 0.00 H new ATOM 351 N GLY A 24 7.343 -1.749 5.643 1.00 0.00 N ATOM 352 CA GLY A 24 7.779 -2.901 4.877 1.00 0.00 C ATOM 353 C GLY A 24 6.968 -4.144 5.188 1.00 0.00 C ATOM 354 O GLY A 24 7.461 -5.264 5.057 1.00 0.00 O ATOM 0 H GLY A 24 6.823 -1.051 5.111 1.00 0.00 H new ATOM 0 HA2 GLY A 24 7.701 -2.677 3.813 1.00 0.00 H new ATOM 0 HA3 GLY A 24 8.831 -3.095 5.086 1.00 0.00 H new ATOM 358 N GLY A 25 5.721 -3.946 5.602 1.00 0.00 N ATOM 359 CA GLY A 25 4.860 -5.068 5.927 1.00 0.00 C ATOM 360 C GLY A 25 4.460 -5.866 4.701 1.00 0.00 C ATOM 361 O GLY A 25 3.738 -5.369 3.837 1.00 0.00 O ATOM 0 H GLY A 25 5.291 -3.028 5.718 1.00 0.00 H new ATOM 0 HA2 GLY A 25 5.372 -5.723 6.632 1.00 0.00 H new ATOM 0 HA3 GLY A 25 3.963 -4.701 6.427 1.00 0.00 H new ATOM 365 N HIS A 26 4.930 -7.107 4.626 1.00 0.00 N ATOM 366 CA HIS A 26 4.617 -7.976 3.497 1.00 0.00 C ATOM 367 C HIS A 26 3.117 -8.236 3.409 1.00 0.00 C ATOM 368 O HIS A 26 2.507 -8.736 4.354 1.00 0.00 O ATOM 369 CB HIS A 26 5.369 -9.302 3.624 1.00 0.00 C ATOM 370 CG HIS A 26 5.170 -9.979 4.944 1.00 0.00 C ATOM 371 ND1 HIS A 26 5.982 -9.756 6.036 1.00 0.00 N ATOM 372 CD2 HIS A 26 4.242 -10.880 5.346 1.00 0.00 C ATOM 373 CE1 HIS A 26 5.563 -10.490 7.051 1.00 0.00 C ATOM 374 NE2 HIS A 26 4.509 -11.180 6.659 1.00 0.00 N ATOM 0 H HIS A 26 5.529 -7.533 5.333 1.00 0.00 H new ATOM 0 HA HIS A 26 4.934 -7.472 2.584 1.00 0.00 H new ATOM 0 HB2 HIS A 26 5.044 -9.972 2.828 1.00 0.00 H new ATOM 0 HB3 HIS A 26 6.434 -9.122 3.474 1.00 0.00 H new ATOM 0 HD2 HIS A 26 3.441 -11.287 4.746 1.00 0.00 H new ATOM 0 HE1 HIS A 26 6.008 -10.520 8.035 1.00 0.00 H new ATOM 0 HE2 HIS A 26 3.978 -11.831 7.238 1.00 0.00 H new ATOM 383 N VAL A 27 2.527 -7.893 2.268 1.00 0.00 N ATOM 384 CA VAL A 27 1.098 -8.090 2.058 1.00 0.00 C ATOM 385 C VAL A 27 0.797 -8.440 0.604 1.00 0.00 C ATOM 386 O VAL A 27 1.334 -7.824 -0.317 1.00 0.00 O ATOM 387 CB VAL A 27 0.294 -6.835 2.447 1.00 0.00 C ATOM 388 CG1 VAL A 27 0.453 -6.537 3.930 1.00 0.00 C ATOM 389 CG2 VAL A 27 0.726 -5.642 1.607 1.00 0.00 C ATOM 0 H VAL A 27 3.017 -7.478 1.475 1.00 0.00 H new ATOM 0 HA VAL A 27 0.798 -8.919 2.699 1.00 0.00 H new ATOM 0 HB VAL A 27 -0.761 -7.026 2.250 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -0.122 -5.647 4.186 1.00 0.00 H new ATOM 0 HG12 VAL A 27 0.090 -7.384 4.512 1.00 0.00 H new ATOM 0 HG13 VAL A 27 1.506 -6.366 4.156 1.00 0.00 H new ATOM 0 HG21 VAL A 27 0.147 -4.765 1.896 1.00 0.00 H new ATOM 0 HG22 VAL A 27 1.786 -5.447 1.770 1.00 0.00 H new ATOM 0 HG23 VAL A 27 0.555 -5.858 0.553 1.00 0.00 H new ATOM 399 N GLU A 28 -0.066 -9.431 0.405 1.00 0.00 N ATOM 400 CA GLU A 28 -0.440 -9.859 -0.937 1.00 0.00 C ATOM 401 C GLU A 28 -1.563 -8.986 -1.491 1.00 0.00 C ATOM 402 O GLU A 28 -2.237 -8.277 -0.744 1.00 0.00 O ATOM 403 CB GLU A 28 -0.874 -11.327 -0.926 1.00 0.00 C ATOM 404 CG GLU A 28 -2.195 -11.569 -0.213 1.00 0.00 C ATOM 405 CD GLU A 28 -2.065 -12.532 0.951 1.00 0.00 C ATOM 406 OE1 GLU A 28 -1.932 -13.749 0.702 1.00 0.00 O ATOM 407 OE2 GLU A 28 -2.095 -12.070 2.111 1.00 0.00 O ATOM 0 H GLU A 28 -0.519 -9.952 1.156 1.00 0.00 H new ATOM 0 HA GLU A 28 0.432 -9.752 -1.583 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -0.956 -11.680 -1.954 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -0.098 -11.923 -0.446 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -2.587 -10.619 0.149 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -2.921 -11.962 -0.925 1.00 0.00 H new ATOM 414 N ALA A 29 -1.758 -9.044 -2.806 1.00 0.00 N ATOM 415 CA ALA A 29 -2.800 -8.260 -3.463 1.00 0.00 C ATOM 416 C ALA A 29 -4.133 -8.378 -2.729 1.00 0.00 C ATOM 417 O ALA A 29 -4.592 -9.480 -2.429 1.00 0.00 O ATOM 418 CB ALA A 29 -2.954 -8.697 -4.912 1.00 0.00 C ATOM 0 H ALA A 29 -1.208 -9.626 -3.438 1.00 0.00 H new ATOM 0 HA ALA A 29 -2.497 -7.213 -3.438 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -3.734 -8.104 -5.390 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -2.011 -8.549 -5.439 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -3.227 -9.752 -4.947 1.00 0.00 H new ATOM 424 N GLY A 30 -4.750 -7.236 -2.443 1.00 0.00 N ATOM 425 CA GLY A 30 -6.023 -7.235 -1.747 1.00 0.00 C ATOM 426 C GLY A 30 -5.870 -7.013 -0.255 1.00 0.00 C ATOM 427 O GLY A 30 -6.779 -6.502 0.399 1.00 0.00 O ATOM 0 H GLY A 30 -4.391 -6.311 -2.681 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -6.660 -6.455 -2.163 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -6.528 -8.185 -1.920 1.00 0.00 H new ATOM 431 N SER A 31 -4.719 -7.398 0.285 1.00 0.00 N ATOM 432 CA SER A 31 -4.451 -7.238 1.709 1.00 0.00 C ATOM 433 C SER A 31 -4.232 -5.770 2.060 1.00 0.00 C ATOM 434 O SER A 31 -3.384 -5.101 1.470 1.00 0.00 O ATOM 435 CB SER A 31 -3.226 -8.059 2.115 1.00 0.00 C ATOM 436 OG SER A 31 -3.496 -9.449 2.043 1.00 0.00 O ATOM 0 H SER A 31 -3.956 -7.823 -0.242 1.00 0.00 H new ATOM 0 HA SER A 31 -5.320 -7.599 2.259 1.00 0.00 H new ATOM 0 HB2 SER A 31 -2.388 -7.814 1.463 1.00 0.00 H new ATOM 0 HB3 SER A 31 -2.928 -7.795 3.130 1.00 0.00 H new ATOM 0 HG SER A 31 -2.668 -9.951 2.195 1.00 0.00 H new ATOM 442 N SER A 32 -5.003 -5.275 3.023 1.00 0.00 N ATOM 443 CA SER A 32 -4.892 -3.885 3.451 1.00 0.00 C ATOM 444 C SER A 32 -3.552 -3.630 4.131 1.00 0.00 C ATOM 445 O SER A 32 -3.044 -4.478 4.865 1.00 0.00 O ATOM 446 CB SER A 32 -6.038 -3.529 4.400 1.00 0.00 C ATOM 447 OG SER A 32 -6.346 -4.613 5.258 1.00 0.00 O ATOM 0 H SER A 32 -5.711 -5.815 3.521 1.00 0.00 H new ATOM 0 HA SER A 32 -4.954 -3.252 2.566 1.00 0.00 H new ATOM 0 HB2 SER A 32 -5.764 -2.657 4.994 1.00 0.00 H new ATOM 0 HB3 SER A 32 -6.921 -3.256 3.822 1.00 0.00 H new ATOM 0 HG SER A 32 -7.080 -4.359 5.855 1.00 0.00 H new ATOM 453 N TYR A 33 -2.983 -2.456 3.880 1.00 0.00 N ATOM 454 CA TYR A 33 -1.698 -2.085 4.465 1.00 0.00 C ATOM 455 C TYR A 33 -1.831 -0.867 5.379 1.00 0.00 C ATOM 456 O TYR A 33 -0.900 -0.525 6.108 1.00 0.00 O ATOM 457 CB TYR A 33 -0.678 -1.798 3.360 1.00 0.00 C ATOM 458 CG TYR A 33 -1.005 -0.573 2.535 1.00 0.00 C ATOM 459 CD1 TYR A 33 -0.544 0.683 2.910 1.00 0.00 C ATOM 460 CD2 TYR A 33 -1.773 -0.673 1.382 1.00 0.00 C ATOM 461 CE1 TYR A 33 -0.841 1.805 2.159 1.00 0.00 C ATOM 462 CE2 TYR A 33 -2.074 0.444 0.626 1.00 0.00 C ATOM 463 CZ TYR A 33 -1.606 1.680 1.018 1.00 0.00 C ATOM 464 OH TYR A 33 -1.903 2.794 0.268 1.00 0.00 O ATOM 0 H TYR A 33 -3.391 -1.744 3.275 1.00 0.00 H new ATOM 0 HA TYR A 33 -1.352 -2.924 5.068 1.00 0.00 H new ATOM 0 HB2 TYR A 33 0.306 -1.670 3.810 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -0.616 -2.664 2.701 1.00 0.00 H new ATOM 0 HD1 TYR A 33 0.056 0.784 3.802 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -2.141 -1.640 1.071 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -0.476 2.775 2.464 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -2.673 0.349 -0.268 1.00 0.00 H new ATOM 0 HH TYR A 33 -1.713 3.601 0.791 1.00 0.00 H new ATOM 474 N ALA A 34 -2.991 -0.214 5.338 1.00 0.00 N ATOM 475 CA ALA A 34 -3.235 0.962 6.163 1.00 0.00 C ATOM 476 C ALA A 34 -4.688 1.407 6.061 1.00 0.00 C ATOM 477 O ALA A 34 -5.518 0.720 5.466 1.00 0.00 O ATOM 478 CB ALA A 34 -2.307 2.096 5.754 1.00 0.00 C ATOM 0 H ALA A 34 -3.774 -0.481 4.742 1.00 0.00 H new ATOM 0 HA ALA A 34 -3.032 0.697 7.201 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -2.501 2.968 6.379 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -1.271 1.782 5.880 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -2.484 2.352 4.709 1.00 0.00 H new ATOM 484 N GLU A 35 -4.990 2.561 6.644 1.00 0.00 N ATOM 485 CA GLU A 35 -6.344 3.098 6.619 1.00 0.00 C ATOM 486 C GLU A 35 -6.320 4.621 6.572 1.00 0.00 C ATOM 487 O GLU A 35 -5.309 5.246 6.891 1.00 0.00 O ATOM 488 CB GLU A 35 -7.126 2.627 7.848 1.00 0.00 C ATOM 489 CG GLU A 35 -6.892 1.167 8.199 1.00 0.00 C ATOM 490 CD GLU A 35 -8.012 0.582 9.037 1.00 0.00 C ATOM 491 OE1 GLU A 35 -9.190 0.882 8.747 1.00 0.00 O ATOM 492 OE2 GLU A 35 -7.712 -0.175 9.984 1.00 0.00 O ATOM 0 H GLU A 35 -4.315 3.143 7.140 1.00 0.00 H new ATOM 0 HA GLU A 35 -6.839 2.730 5.720 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -6.850 3.245 8.702 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -8.190 2.783 7.672 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -6.790 0.588 7.281 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -5.951 1.074 8.741 1.00 0.00 H new ATOM 499 N MET A 36 -7.440 5.215 6.174 1.00 0.00 N ATOM 500 CA MET A 36 -7.544 6.666 6.088 1.00 0.00 C ATOM 501 C MET A 36 -8.984 7.122 6.296 1.00 0.00 C ATOM 502 O MET A 36 -9.892 6.690 5.587 1.00 0.00 O ATOM 503 CB MET A 36 -7.026 7.157 4.734 1.00 0.00 C ATOM 504 CG MET A 36 -7.885 6.721 3.558 1.00 0.00 C ATOM 505 SD MET A 36 -6.911 6.352 2.086 1.00 0.00 S ATOM 506 CE MET A 36 -8.206 6.139 0.868 1.00 0.00 C ATOM 0 H MET A 36 -8.287 4.714 5.906 1.00 0.00 H new ATOM 0 HA MET A 36 -6.930 7.097 6.879 1.00 0.00 H new ATOM 0 HB2 MET A 36 -6.971 8.246 4.749 1.00 0.00 H new ATOM 0 HB3 MET A 36 -6.011 6.788 4.588 1.00 0.00 H new ATOM 0 HG2 MET A 36 -8.459 5.838 3.840 1.00 0.00 H new ATOM 0 HG3 MET A 36 -8.603 7.508 3.326 1.00 0.00 H new ATOM 0 HE1 MET A 36 -7.846 5.499 0.062 1.00 0.00 H new ATOM 0 HE2 MET A 36 -9.075 5.677 1.337 1.00 0.00 H new ATOM 0 HE3 MET A 36 -8.487 7.111 0.462 1.00 0.00 H new ATOM 516 N GLU A 37 -9.186 7.998 7.275 1.00 0.00 N ATOM 517 CA GLU A 37 -10.515 8.513 7.579 1.00 0.00 C ATOM 518 C GLU A 37 -10.805 9.779 6.780 1.00 0.00 C ATOM 519 O GLU A 37 -10.219 10.833 7.031 1.00 0.00 O ATOM 520 CB GLU A 37 -10.644 8.801 9.076 1.00 0.00 C ATOM 521 CG GLU A 37 -12.083 8.904 9.554 1.00 0.00 C ATOM 522 CD GLU A 37 -12.207 8.788 11.060 1.00 0.00 C ATOM 523 OE1 GLU A 37 -11.952 9.793 11.756 1.00 0.00 O ATOM 524 OE2 GLU A 37 -12.559 7.691 11.544 1.00 0.00 O ATOM 0 H GLU A 37 -8.445 8.366 7.872 1.00 0.00 H new ATOM 0 HA GLU A 37 -11.244 7.753 7.298 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -10.140 8.012 9.634 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -10.127 9.733 9.304 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -12.502 9.857 9.231 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -12.675 8.120 9.083 1.00 0.00 H new ATOM 531 N VAL A 38 -11.714 9.668 5.818 1.00 0.00 N ATOM 532 CA VAL A 38 -12.087 10.803 4.981 1.00 0.00 C ATOM 533 C VAL A 38 -13.284 11.539 5.575 1.00 0.00 C ATOM 534 O VAL A 38 -13.902 11.066 6.529 1.00 0.00 O ATOM 535 CB VAL A 38 -12.431 10.361 3.542 1.00 0.00 C ATOM 536 CG1 VAL A 38 -12.206 11.502 2.562 1.00 0.00 C ATOM 537 CG2 VAL A 38 -11.613 9.141 3.138 1.00 0.00 C ATOM 0 H VAL A 38 -12.207 8.803 5.598 1.00 0.00 H new ATOM 0 HA VAL A 38 -11.226 11.470 4.945 1.00 0.00 H new ATOM 0 HB VAL A 38 -13.486 10.087 3.516 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -12.454 11.170 1.554 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -12.841 12.345 2.833 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -11.161 11.810 2.596 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -11.873 8.849 2.121 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -10.551 9.383 3.186 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -11.828 8.317 3.818 1.00 0.00 H new ATOM 547 N MET A 39 -13.608 12.698 5.009 1.00 0.00 N ATOM 548 CA MET A 39 -14.733 13.491 5.490 1.00 0.00 C ATOM 549 C MET A 39 -16.029 12.689 5.427 1.00 0.00 C ATOM 550 O MET A 39 -16.944 12.904 6.222 1.00 0.00 O ATOM 551 CB MET A 39 -14.872 14.772 4.664 1.00 0.00 C ATOM 552 CG MET A 39 -13.554 15.498 4.442 1.00 0.00 C ATOM 553 SD MET A 39 -13.542 17.156 5.152 1.00 0.00 S ATOM 554 CE MET A 39 -14.320 18.093 3.838 1.00 0.00 C ATOM 0 H MET A 39 -13.109 13.107 4.219 1.00 0.00 H new ATOM 0 HA MET A 39 -14.540 13.757 6.529 1.00 0.00 H new ATOM 0 HB2 MET A 39 -15.309 14.525 3.696 1.00 0.00 H new ATOM 0 HB3 MET A 39 -15.568 15.444 5.166 1.00 0.00 H new ATOM 0 HG2 MET A 39 -12.744 14.914 4.880 1.00 0.00 H new ATOM 0 HG3 MET A 39 -13.357 15.564 3.372 1.00 0.00 H new ATOM 0 HE1 MET A 39 -14.385 19.142 4.128 1.00 0.00 H new ATOM 0 HE2 MET A 39 -13.727 18.005 2.928 1.00 0.00 H new ATOM 0 HE3 MET A 39 -15.322 17.704 3.658 1.00 0.00 H new ATOM 564 N LYS A 40 -16.099 11.760 4.479 1.00 0.00 N ATOM 565 CA LYS A 40 -17.275 10.924 4.311 1.00 0.00 C ATOM 566 C LYS A 40 -17.311 9.821 5.365 1.00 0.00 C ATOM 567 O LYS A 40 -18.116 9.865 6.296 1.00 0.00 O ATOM 568 CB LYS A 40 -17.279 10.315 2.909 1.00 0.00 C ATOM 569 CG LYS A 40 -18.466 9.411 2.644 1.00 0.00 C ATOM 570 CD LYS A 40 -19.581 10.155 1.928 1.00 0.00 C ATOM 571 CE LYS A 40 -20.951 9.700 2.404 1.00 0.00 C ATOM 572 NZ LYS A 40 -21.389 8.450 1.722 1.00 0.00 N ATOM 0 H LYS A 40 -15.349 11.569 3.814 1.00 0.00 H new ATOM 0 HA LYS A 40 -18.163 11.543 4.437 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -17.273 11.119 2.173 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -16.360 9.746 2.766 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -18.149 8.560 2.042 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -18.840 9.013 3.587 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -19.473 11.226 2.099 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -19.496 9.993 0.853 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -20.925 9.536 3.481 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -21.680 10.489 2.219 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -22.327 8.173 2.074 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -21.439 8.613 0.696 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -20.707 7.690 1.919 1.00 0.00 H new ATOM 586 N MET A 41 -16.434 8.833 5.214 1.00 0.00 N ATOM 587 CA MET A 41 -16.367 7.720 6.154 1.00 0.00 C ATOM 588 C MET A 41 -14.956 7.142 6.215 1.00 0.00 C ATOM 589 O MET A 41 -14.037 7.653 5.575 1.00 0.00 O ATOM 590 CB MET A 41 -17.360 6.627 5.753 1.00 0.00 C ATOM 591 CG MET A 41 -18.733 6.792 6.386 1.00 0.00 C ATOM 592 SD MET A 41 -19.777 5.338 6.166 1.00 0.00 S ATOM 593 CE MET A 41 -20.914 5.925 4.913 1.00 0.00 C ATOM 0 H MET A 41 -15.760 8.781 4.450 1.00 0.00 H new ATOM 0 HA MET A 41 -16.629 8.096 7.143 1.00 0.00 H new ATOM 0 HB2 MET A 41 -17.467 6.625 4.668 1.00 0.00 H new ATOM 0 HB3 MET A 41 -16.953 5.656 6.035 1.00 0.00 H new ATOM 0 HG2 MET A 41 -18.616 6.993 7.451 1.00 0.00 H new ATOM 0 HG3 MET A 41 -19.228 7.660 5.950 1.00 0.00 H new ATOM 0 HE1 MET A 41 -21.625 5.136 4.669 1.00 0.00 H new ATOM 0 HE2 MET A 41 -21.452 6.795 5.289 1.00 0.00 H new ATOM 0 HE3 MET A 41 -20.357 6.202 4.018 1.00 0.00 H new ATOM 603 N ILE A 42 -14.793 6.073 6.987 1.00 0.00 N ATOM 604 CA ILE A 42 -13.495 5.423 7.131 1.00 0.00 C ATOM 605 C ILE A 42 -13.229 4.474 5.967 1.00 0.00 C ATOM 606 O ILE A 42 -14.156 3.900 5.397 1.00 0.00 O ATOM 607 CB ILE A 42 -13.404 4.638 8.456 1.00 0.00 C ATOM 608 CG1 ILE A 42 -12.023 3.992 8.607 1.00 0.00 C ATOM 609 CG2 ILE A 42 -14.498 3.581 8.525 1.00 0.00 C ATOM 610 CD1 ILE A 42 -10.881 4.984 8.571 1.00 0.00 C ATOM 0 H ILE A 42 -15.544 5.638 7.523 1.00 0.00 H new ATOM 0 HA ILE A 42 -12.741 6.210 7.134 1.00 0.00 H new ATOM 0 HB ILE A 42 -13.547 5.337 9.280 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -11.988 3.445 9.549 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -11.884 3.262 7.810 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -14.419 3.037 9.466 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -15.474 4.063 8.465 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -14.385 2.886 7.693 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -9.935 4.454 8.684 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -10.889 5.514 7.618 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -10.995 5.700 9.385 1.00 0.00 H new ATOM 622 N MET A 43 -11.956 4.313 5.618 1.00 0.00 N ATOM 623 CA MET A 43 -11.572 3.433 4.521 1.00 0.00 C ATOM 624 C MET A 43 -10.241 2.746 4.809 1.00 0.00 C ATOM 625 O MET A 43 -9.468 3.195 5.655 1.00 0.00 O ATOM 626 CB MET A 43 -11.479 4.222 3.214 1.00 0.00 C ATOM 627 CG MET A 43 -12.818 4.402 2.516 1.00 0.00 C ATOM 628 SD MET A 43 -12.677 5.320 0.971 1.00 0.00 S ATOM 629 CE MET A 43 -14.330 5.126 0.310 1.00 0.00 C ATOM 0 H MET A 43 -11.175 4.780 6.078 1.00 0.00 H new ATOM 0 HA MET A 43 -12.340 2.666 4.422 1.00 0.00 H new ATOM 0 HB2 MET A 43 -11.052 5.203 3.421 1.00 0.00 H new ATOM 0 HB3 MET A 43 -10.792 3.711 2.539 1.00 0.00 H new ATOM 0 HG2 MET A 43 -13.253 3.423 2.314 1.00 0.00 H new ATOM 0 HG3 MET A 43 -13.504 4.924 3.183 1.00 0.00 H new ATOM 0 HE1 MET A 43 -14.401 5.641 -0.648 1.00 0.00 H new ATOM 0 HE2 MET A 43 -14.544 4.066 0.169 1.00 0.00 H new ATOM 0 HE3 MET A 43 -15.052 5.553 1.006 1.00 0.00 H new ATOM 639 N THR A 44 -9.981 1.652 4.098 1.00 0.00 N ATOM 640 CA THR A 44 -8.744 0.899 4.275 1.00 0.00 C ATOM 641 C THR A 44 -7.945 0.854 2.976 1.00 0.00 C ATOM 642 O THR A 44 -8.495 0.588 1.907 1.00 0.00 O ATOM 643 CB THR A 44 -9.048 -0.525 4.747 1.00 0.00 C ATOM 644 OG1 THR A 44 -10.401 -0.645 5.151 1.00 0.00 O ATOM 645 CG2 THR A 44 -8.183 -0.969 5.907 1.00 0.00 C ATOM 0 H THR A 44 -10.611 1.268 3.394 1.00 0.00 H new ATOM 0 HA THR A 44 -8.147 1.406 5.033 1.00 0.00 H new ATOM 0 HB THR A 44 -8.835 -1.163 3.889 1.00 0.00 H new ATOM 0 HG1 THR A 44 -10.574 -1.563 5.447 1.00 0.00 H new ATOM 0 HG21 THR A 44 -8.450 -1.987 6.192 1.00 0.00 H new ATOM 0 HG22 THR A 44 -7.134 -0.938 5.611 1.00 0.00 H new ATOM 0 HG23 THR A 44 -8.341 -0.302 6.755 1.00 0.00 H new ATOM 653 N LEU A 45 -6.646 1.110 3.077 1.00 0.00 N ATOM 654 CA LEU A 45 -5.772 1.092 1.910 1.00 0.00 C ATOM 655 C LEU A 45 -5.145 -0.286 1.728 1.00 0.00 C ATOM 656 O LEU A 45 -4.651 -0.883 2.684 1.00 0.00 O ATOM 657 CB LEU A 45 -4.676 2.150 2.051 1.00 0.00 C ATOM 658 CG LEU A 45 -5.178 3.583 2.234 1.00 0.00 C ATOM 659 CD1 LEU A 45 -5.403 3.885 3.708 1.00 0.00 C ATOM 660 CD2 LEU A 45 -4.195 4.573 1.630 1.00 0.00 C ATOM 0 H LEU A 45 -6.175 1.332 3.954 1.00 0.00 H new ATOM 0 HA LEU A 45 -6.373 1.319 1.030 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -4.049 1.890 2.903 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -4.042 2.114 1.165 1.00 0.00 H new ATOM 0 HG LEU A 45 -6.130 3.684 1.714 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -5.760 4.909 3.819 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -6.145 3.196 4.111 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -4.465 3.767 4.251 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -4.568 5.588 1.769 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -3.228 4.472 2.122 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -4.083 4.371 0.565 1.00 0.00 H new ATOM 672 N ASN A 46 -5.172 -0.787 0.498 1.00 0.00 N ATOM 673 CA ASN A 46 -4.607 -2.098 0.196 1.00 0.00 C ATOM 674 C ASN A 46 -3.704 -2.034 -1.031 1.00 0.00 C ATOM 675 O ASN A 46 -3.673 -1.028 -1.740 1.00 0.00 O ATOM 676 CB ASN A 46 -5.721 -3.128 -0.029 1.00 0.00 C ATOM 677 CG ASN A 46 -6.953 -2.528 -0.679 1.00 0.00 C ATOM 678 OD1 ASN A 46 -8.052 -2.590 -0.128 1.00 0.00 O ATOM 679 ND2 ASN A 46 -6.776 -1.943 -1.858 1.00 0.00 N ATOM 0 H ASN A 46 -5.578 -0.307 -0.305 1.00 0.00 H new ATOM 0 HA ASN A 46 -4.007 -2.407 1.052 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -5.342 -3.935 -0.655 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -5.999 -3.570 0.928 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -7.569 -1.522 -2.343 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -5.847 -1.914 -2.279 1.00 0.00 H new ATOM 686 N VAL A 47 -2.968 -3.113 -1.274 1.00 0.00 N ATOM 687 CA VAL A 47 -2.062 -3.180 -2.414 1.00 0.00 C ATOM 688 C VAL A 47 -2.741 -3.820 -3.620 1.00 0.00 C ATOM 689 O VAL A 47 -3.676 -4.608 -3.474 1.00 0.00 O ATOM 690 CB VAL A 47 -0.790 -3.978 -2.073 1.00 0.00 C ATOM 691 CG1 VAL A 47 0.024 -3.258 -1.010 1.00 0.00 C ATOM 692 CG2 VAL A 47 -1.148 -5.385 -1.619 1.00 0.00 C ATOM 0 H VAL A 47 -2.981 -3.953 -0.696 1.00 0.00 H new ATOM 0 HA VAL A 47 -1.785 -2.154 -2.658 1.00 0.00 H new ATOM 0 HB VAL A 47 -0.180 -4.056 -2.973 1.00 0.00 H new ATOM 0 HG11 VAL A 47 0.919 -3.837 -0.782 1.00 0.00 H new ATOM 0 HG12 VAL A 47 0.313 -2.273 -1.378 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -0.575 -3.146 -0.106 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -0.237 -5.934 -1.382 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -1.780 -5.332 -0.732 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -1.685 -5.899 -2.416 1.00 0.00 H new ATOM 702 N GLN A 48 -2.264 -3.476 -4.812 1.00 0.00 N ATOM 703 CA GLN A 48 -2.824 -4.017 -6.046 1.00 0.00 C ATOM 704 C GLN A 48 -2.193 -5.364 -6.396 1.00 0.00 C ATOM 705 O GLN A 48 -2.745 -6.129 -7.187 1.00 0.00 O ATOM 706 CB GLN A 48 -2.632 -3.026 -7.200 1.00 0.00 C ATOM 707 CG GLN A 48 -1.193 -2.905 -7.683 1.00 0.00 C ATOM 708 CD GLN A 48 -0.369 -1.953 -6.838 1.00 0.00 C ATOM 709 OE1 GLN A 48 0.505 -2.507 -6.006 1.00 0.00 O flip ATOM 710 NE2 GLN A 48 -0.516 -0.734 -6.933 1.00 0.00 N flip ATOM 0 H GLN A 48 -1.491 -2.825 -4.950 1.00 0.00 H new ATOM 0 HA GLN A 48 -3.891 -4.174 -5.889 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -3.260 -3.333 -8.036 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -2.981 -2.043 -6.883 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -0.727 -3.890 -7.672 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -1.189 -2.562 -8.718 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -1.200 -0.352 -7.586 1.00 0.00 H new ATOM 0 HE22 GLN A 48 0.046 -0.106 -6.358 1.00 0.00 H new ATOM 719 N GLU A 49 -1.035 -5.648 -5.806 1.00 0.00 N ATOM 720 CA GLU A 49 -0.337 -6.902 -6.063 1.00 0.00 C ATOM 721 C GLU A 49 0.549 -7.284 -4.882 1.00 0.00 C ATOM 722 O GLU A 49 0.653 -6.543 -3.904 1.00 0.00 O ATOM 723 CB GLU A 49 0.509 -6.787 -7.332 1.00 0.00 C ATOM 724 CG GLU A 49 -0.313 -6.601 -8.597 1.00 0.00 C ATOM 725 CD GLU A 49 0.547 -6.497 -9.841 1.00 0.00 C ATOM 726 OE1 GLU A 49 1.319 -5.521 -9.950 1.00 0.00 O ATOM 727 OE2 GLU A 49 0.448 -7.391 -10.708 1.00 0.00 O ATOM 0 H GLU A 49 -0.562 -5.028 -5.149 1.00 0.00 H new ATOM 0 HA GLU A 49 -1.085 -7.683 -6.201 1.00 0.00 H new ATOM 0 HB2 GLU A 49 1.194 -5.946 -7.227 1.00 0.00 H new ATOM 0 HB3 GLU A 49 1.119 -7.684 -7.434 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -1.002 -7.439 -8.705 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -0.919 -5.700 -8.503 1.00 0.00 H new ATOM 734 N ARG A 50 1.183 -8.448 -4.979 1.00 0.00 N ATOM 735 CA ARG A 50 2.059 -8.933 -3.920 1.00 0.00 C ATOM 736 C ARG A 50 3.318 -8.078 -3.818 1.00 0.00 C ATOM 737 O ARG A 50 3.851 -7.617 -4.828 1.00 0.00 O ATOM 738 CB ARG A 50 2.441 -10.393 -4.174 1.00 0.00 C ATOM 739 CG ARG A 50 1.304 -11.371 -3.923 1.00 0.00 C ATOM 740 CD ARG A 50 0.330 -11.404 -5.089 1.00 0.00 C ATOM 741 NE ARG A 50 1.002 -11.679 -6.357 1.00 0.00 N ATOM 742 CZ ARG A 50 0.408 -11.594 -7.545 1.00 0.00 C ATOM 743 NH1 ARG A 50 -0.869 -11.242 -7.633 1.00 0.00 N ATOM 744 NH2 ARG A 50 1.093 -11.861 -8.649 1.00 0.00 N ATOM 0 H ARG A 50 1.106 -9.073 -5.781 1.00 0.00 H new ATOM 0 HA ARG A 50 1.517 -8.864 -2.977 1.00 0.00 H new ATOM 0 HB2 ARG A 50 2.778 -10.498 -5.205 1.00 0.00 H new ATOM 0 HB3 ARG A 50 3.284 -10.656 -3.535 1.00 0.00 H new ATOM 0 HG2 ARG A 50 1.711 -12.369 -3.759 1.00 0.00 H new ATOM 0 HG3 ARG A 50 0.774 -11.089 -3.013 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -0.427 -12.167 -4.907 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -0.190 -10.448 -5.154 1.00 0.00 H new ATOM 0 HE ARG A 50 1.984 -11.952 -6.330 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -1.400 -11.035 -6.787 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -1.319 -11.179 -8.546 1.00 0.00 H new ATOM 0 HH21 ARG A 50 2.075 -12.131 -8.587 1.00 0.00 H new ATOM 0 HH22 ARG A 50 0.638 -11.796 -9.560 1.00 0.00 H new ATOM 758 N GLY A 51 3.788 -7.870 -2.593 1.00 0.00 N ATOM 759 CA GLY A 51 4.981 -7.071 -2.382 1.00 0.00 C ATOM 760 C GLY A 51 5.059 -6.505 -0.978 1.00 0.00 C ATOM 761 O GLY A 51 4.120 -6.641 -0.193 1.00 0.00 O ATOM 0 H GLY A 51 3.364 -8.240 -1.742 1.00 0.00 H new ATOM 0 HA2 GLY A 51 5.863 -7.683 -2.573 1.00 0.00 H new ATOM 0 HA3 GLY A 51 4.998 -6.253 -3.102 1.00 0.00 H new ATOM 765 N ARG A 52 6.182 -5.870 -0.660 1.00 0.00 N ATOM 766 CA ARG A 52 6.380 -5.281 0.659 1.00 0.00 C ATOM 767 C ARG A 52 5.996 -3.806 0.657 1.00 0.00 C ATOM 768 O ARG A 52 6.571 -3.005 -0.080 1.00 0.00 O ATOM 769 CB ARG A 52 7.836 -5.442 1.100 1.00 0.00 C ATOM 770 CG ARG A 52 8.089 -6.697 1.918 1.00 0.00 C ATOM 771 CD ARG A 52 8.351 -7.900 1.027 1.00 0.00 C ATOM 772 NE ARG A 52 9.743 -7.963 0.587 1.00 0.00 N ATOM 773 CZ ARG A 52 10.742 -8.404 1.347 1.00 0.00 C ATOM 774 NH1 ARG A 52 10.508 -8.822 2.585 1.00 0.00 N ATOM 775 NH2 ARG A 52 11.978 -8.428 0.869 1.00 0.00 N ATOM 0 H ARG A 52 6.969 -5.750 -1.298 1.00 0.00 H new ATOM 0 HA ARG A 52 5.736 -5.805 1.365 1.00 0.00 H new ATOM 0 HB2 ARG A 52 8.474 -5.459 0.217 1.00 0.00 H new ATOM 0 HB3 ARG A 52 8.127 -4.571 1.687 1.00 0.00 H new ATOM 0 HG2 ARG A 52 8.943 -6.537 2.576 1.00 0.00 H new ATOM 0 HG3 ARG A 52 7.228 -6.896 2.556 1.00 0.00 H new ATOM 0 HD2 ARG A 52 8.100 -8.813 1.567 1.00 0.00 H new ATOM 0 HD3 ARG A 52 7.697 -7.855 0.156 1.00 0.00 H new ATOM 0 HE ARG A 52 9.962 -7.650 -0.359 1.00 0.00 H new ATOM 0 HH11 ARG A 52 9.559 -8.806 2.958 1.00 0.00 H new ATOM 0 HH12 ARG A 52 11.277 -9.159 3.163 1.00 0.00 H new ATOM 0 HH21 ARG A 52 12.163 -8.108 -0.082 1.00 0.00 H new ATOM 0 HH22 ARG A 52 12.744 -8.766 1.452 1.00 0.00 H new ATOM 789 N VAL A 53 5.019 -3.453 1.485 1.00 0.00 N ATOM 790 CA VAL A 53 4.557 -2.074 1.578 1.00 0.00 C ATOM 791 C VAL A 53 5.465 -1.249 2.483 1.00 0.00 C ATOM 792 O VAL A 53 5.707 -1.613 3.634 1.00 0.00 O ATOM 793 CB VAL A 53 3.114 -2.000 2.112 1.00 0.00 C ATOM 794 CG1 VAL A 53 2.586 -0.575 2.033 1.00 0.00 C ATOM 795 CG2 VAL A 53 2.211 -2.953 1.345 1.00 0.00 C ATOM 0 H VAL A 53 4.532 -4.103 2.101 1.00 0.00 H new ATOM 0 HA VAL A 53 4.585 -1.663 0.569 1.00 0.00 H new ATOM 0 HB VAL A 53 3.119 -2.303 3.159 1.00 0.00 H new ATOM 0 HG11 VAL A 53 1.566 -0.543 2.415 1.00 0.00 H new ATOM 0 HG12 VAL A 53 3.218 0.081 2.632 1.00 0.00 H new ATOM 0 HG13 VAL A 53 2.596 -0.240 0.996 1.00 0.00 H new ATOM 0 HG21 VAL A 53 1.196 -2.887 1.736 1.00 0.00 H new ATOM 0 HG22 VAL A 53 2.211 -2.683 0.289 1.00 0.00 H new ATOM 0 HG23 VAL A 53 2.578 -3.973 1.459 1.00 0.00 H new ATOM 805 N LYS A 54 5.963 -0.135 1.957 1.00 0.00 N ATOM 806 CA LYS A 54 6.843 0.744 2.718 1.00 0.00 C ATOM 807 C LYS A 54 6.188 2.103 2.936 1.00 0.00 C ATOM 808 O LYS A 54 6.012 2.876 1.996 1.00 0.00 O ATOM 809 CB LYS A 54 8.179 0.917 1.993 1.00 0.00 C ATOM 810 CG LYS A 54 8.754 -0.383 1.456 1.00 0.00 C ATOM 811 CD LYS A 54 10.180 -0.201 0.963 1.00 0.00 C ATOM 812 CE LYS A 54 10.580 -1.303 -0.004 1.00 0.00 C ATOM 813 NZ LYS A 54 12.059 -1.401 -0.154 1.00 0.00 N ATOM 0 H LYS A 54 5.772 0.181 1.006 1.00 0.00 H new ATOM 0 HA LYS A 54 7.025 0.286 3.690 1.00 0.00 H new ATOM 0 HB2 LYS A 54 8.046 1.614 1.166 1.00 0.00 H new ATOM 0 HB3 LYS A 54 8.898 1.367 2.677 1.00 0.00 H new ATOM 0 HG2 LYS A 54 8.733 -1.142 2.238 1.00 0.00 H new ATOM 0 HG3 LYS A 54 8.130 -0.748 0.640 1.00 0.00 H new ATOM 0 HD2 LYS A 54 10.276 0.768 0.472 1.00 0.00 H new ATOM 0 HD3 LYS A 54 10.862 -0.196 1.813 1.00 0.00 H new ATOM 0 HE2 LYS A 54 10.187 -2.256 0.349 1.00 0.00 H new ATOM 0 HE3 LYS A 54 10.128 -1.113 -0.978 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 12.290 -2.164 -0.822 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 12.432 -0.500 -0.515 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 12.489 -1.608 0.770 1.00 0.00 H new ATOM 827 N TYR A 55 5.823 2.384 4.182 1.00 0.00 N ATOM 828 CA TYR A 55 5.181 3.647 4.527 1.00 0.00 C ATOM 829 C TYR A 55 6.054 4.838 4.142 1.00 0.00 C ATOM 830 O TYR A 55 7.244 4.878 4.458 1.00 0.00 O ATOM 831 CB TYR A 55 4.872 3.692 6.024 1.00 0.00 C ATOM 832 CG TYR A 55 3.525 3.106 6.381 1.00 0.00 C ATOM 833 CD1 TYR A 55 3.100 1.907 5.824 1.00 0.00 C ATOM 834 CD2 TYR A 55 2.679 3.753 7.272 1.00 0.00 C ATOM 835 CE1 TYR A 55 1.869 1.368 6.146 1.00 0.00 C ATOM 836 CE2 TYR A 55 1.447 3.220 7.600 1.00 0.00 C ATOM 837 CZ TYR A 55 1.047 2.028 7.034 1.00 0.00 C ATOM 838 OH TYR A 55 -0.179 1.494 7.357 1.00 0.00 O ATOM 0 H TYR A 55 5.961 1.753 4.971 1.00 0.00 H new ATOM 0 HA TYR A 55 4.250 3.712 3.964 1.00 0.00 H new ATOM 0 HB2 TYR A 55 5.649 3.151 6.563 1.00 0.00 H new ATOM 0 HB3 TYR A 55 4.910 4.727 6.364 1.00 0.00 H new ATOM 0 HD1 TYR A 55 3.742 1.387 5.128 1.00 0.00 H new ATOM 0 HD2 TYR A 55 2.989 4.688 7.716 1.00 0.00 H new ATOM 0 HE1 TYR A 55 1.553 0.435 5.704 1.00 0.00 H new ATOM 0 HE2 TYR A 55 0.801 3.734 8.296 1.00 0.00 H new ATOM 0 HH TYR A 55 -0.171 0.529 7.187 1.00 0.00 H new ATOM 848 N ILE A 56 5.450 5.811 3.467 1.00 0.00 N ATOM 849 CA ILE A 56 6.164 7.011 3.046 1.00 0.00 C ATOM 850 C ILE A 56 5.775 8.194 3.925 1.00 0.00 C ATOM 851 O ILE A 56 6.629 8.844 4.529 1.00 0.00 O ATOM 852 CB ILE A 56 5.880 7.341 1.556 1.00 0.00 C ATOM 853 CG1 ILE A 56 6.891 6.632 0.650 1.00 0.00 C ATOM 854 CG2 ILE A 56 5.917 8.845 1.304 1.00 0.00 C ATOM 855 CD1 ILE A 56 7.013 5.148 0.915 1.00 0.00 C ATOM 0 H ILE A 56 4.466 5.792 3.200 1.00 0.00 H new ATOM 0 HA ILE A 56 7.232 6.820 3.155 1.00 0.00 H new ATOM 0 HB ILE A 56 4.878 6.982 1.321 1.00 0.00 H new ATOM 0 HG12 ILE A 56 6.601 6.783 -0.390 1.00 0.00 H new ATOM 0 HG13 ILE A 56 7.869 7.096 0.779 1.00 0.00 H new ATOM 0 HG21 ILE A 56 5.714 9.043 0.251 1.00 0.00 H new ATOM 0 HG22 ILE A 56 5.161 9.335 1.917 1.00 0.00 H new ATOM 0 HG23 ILE A 56 6.902 9.233 1.563 1.00 0.00 H new ATOM 0 HD11 ILE A 56 7.747 4.716 0.235 1.00 0.00 H new ATOM 0 HD12 ILE A 56 7.333 4.987 1.944 1.00 0.00 H new ATOM 0 HD13 ILE A 56 6.046 4.670 0.757 1.00 0.00 H new ATOM 867 N LYS A 57 4.480 8.462 3.991 1.00 0.00 N ATOM 868 CA LYS A 57 3.961 9.559 4.793 1.00 0.00 C ATOM 869 C LYS A 57 4.061 9.237 6.282 1.00 0.00 C ATOM 870 O LYS A 57 4.217 8.078 6.667 1.00 0.00 O ATOM 871 CB LYS A 57 2.509 9.831 4.407 1.00 0.00 C ATOM 872 CG LYS A 57 2.329 11.068 3.540 1.00 0.00 C ATOM 873 CD LYS A 57 2.847 12.318 4.234 1.00 0.00 C ATOM 874 CE LYS A 57 4.204 12.737 3.689 1.00 0.00 C ATOM 875 NZ LYS A 57 4.088 13.843 2.699 1.00 0.00 N ATOM 0 H LYS A 57 3.765 7.930 3.495 1.00 0.00 H new ATOM 0 HA LYS A 57 4.559 10.449 4.599 1.00 0.00 H new ATOM 0 HB2 LYS A 57 2.115 8.965 3.875 1.00 0.00 H new ATOM 0 HB3 LYS A 57 1.916 9.945 5.315 1.00 0.00 H new ATOM 0 HG2 LYS A 57 2.856 10.931 2.596 1.00 0.00 H new ATOM 0 HG3 LYS A 57 1.273 11.195 3.301 1.00 0.00 H new ATOM 0 HD2 LYS A 57 2.134 13.131 4.101 1.00 0.00 H new ATOM 0 HD3 LYS A 57 2.925 12.135 5.306 1.00 0.00 H new ATOM 0 HE2 LYS A 57 4.844 13.053 4.513 1.00 0.00 H new ATOM 0 HE3 LYS A 57 4.687 11.880 3.220 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 5.034 14.099 2.352 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 3.498 13.534 1.900 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 3.650 14.670 3.152 1.00 0.00 H new ATOM 889 N ARG A 58 3.972 10.268 7.115 1.00 0.00 N ATOM 890 CA ARG A 58 4.054 10.093 8.561 1.00 0.00 C ATOM 891 C ARG A 58 2.664 9.910 9.167 1.00 0.00 C ATOM 892 O ARG A 58 1.655 10.195 8.522 1.00 0.00 O ATOM 893 CB ARG A 58 4.750 11.295 9.202 1.00 0.00 C ATOM 894 CG ARG A 58 6.241 11.092 9.416 1.00 0.00 C ATOM 895 CD ARG A 58 7.025 11.333 8.136 1.00 0.00 C ATOM 896 NE ARG A 58 8.348 11.894 8.402 1.00 0.00 N ATOM 897 CZ ARG A 58 9.359 11.198 8.917 1.00 0.00 C ATOM 898 NH1 ARG A 58 9.203 9.916 9.223 1.00 0.00 N ATOM 899 NH2 ARG A 58 10.529 11.786 9.126 1.00 0.00 N ATOM 0 H ARG A 58 3.843 11.234 6.814 1.00 0.00 H new ATOM 0 HA ARG A 58 4.638 9.195 8.761 1.00 0.00 H new ATOM 0 HB2 ARG A 58 4.598 12.171 8.572 1.00 0.00 H new ATOM 0 HB3 ARG A 58 4.279 11.507 10.162 1.00 0.00 H new ATOM 0 HG2 ARG A 58 6.594 11.770 10.193 1.00 0.00 H new ATOM 0 HG3 ARG A 58 6.424 10.078 9.771 1.00 0.00 H new ATOM 0 HD2 ARG A 58 7.132 10.393 7.594 1.00 0.00 H new ATOM 0 HD3 ARG A 58 6.467 12.011 7.491 1.00 0.00 H new ATOM 0 HE ARG A 58 8.506 12.877 8.180 1.00 0.00 H new ATOM 0 HH11 ARG A 58 8.305 9.459 9.064 1.00 0.00 H new ATOM 0 HH12 ARG A 58 9.981 9.387 9.617 1.00 0.00 H new ATOM 0 HH21 ARG A 58 10.654 12.771 8.892 1.00 0.00 H new ATOM 0 HH22 ARG A 58 11.304 11.253 9.521 1.00 0.00 H new ATOM 913 N PRO A 59 2.594 9.431 10.421 1.00 0.00 N ATOM 914 CA PRO A 59 1.318 9.213 11.113 1.00 0.00 C ATOM 915 C PRO A 59 0.536 10.509 11.298 1.00 0.00 C ATOM 916 O PRO A 59 1.066 11.500 11.799 1.00 0.00 O ATOM 917 CB PRO A 59 1.732 8.638 12.473 1.00 0.00 C ATOM 918 CG PRO A 59 3.158 9.036 12.645 1.00 0.00 C ATOM 919 CD PRO A 59 3.746 9.068 11.263 1.00 0.00 C ATOM 0 HA PRO A 59 0.658 8.556 10.547 1.00 0.00 H new ATOM 0 HB2 PRO A 59 1.112 9.038 13.275 1.00 0.00 H new ATOM 0 HB3 PRO A 59 1.620 7.554 12.493 1.00 0.00 H new ATOM 0 HG2 PRO A 59 3.236 10.011 13.125 1.00 0.00 H new ATOM 0 HG3 PRO A 59 3.688 8.325 13.279 1.00 0.00 H new ATOM 0 HD2 PRO A 59 4.550 9.799 11.184 1.00 0.00 H new ATOM 0 HD3 PRO A 59 4.164 8.102 10.980 1.00 0.00 H new ATOM 927 N GLY A 60 -0.728 10.494 10.887 1.00 0.00 N ATOM 928 CA GLY A 60 -1.564 11.673 11.011 1.00 0.00 C ATOM 929 C GLY A 60 -1.497 12.571 9.788 1.00 0.00 C ATOM 930 O GLY A 60 -2.352 13.436 9.600 1.00 0.00 O ATOM 0 H GLY A 60 -1.188 9.685 10.470 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -2.597 11.365 11.174 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -1.257 12.240 11.890 1.00 0.00 H new ATOM 934 N ALA A 61 -0.479 12.367 8.956 1.00 0.00 N ATOM 935 CA ALA A 61 -0.305 13.166 7.748 1.00 0.00 C ATOM 936 C ALA A 61 -1.538 13.098 6.856 1.00 0.00 C ATOM 937 O ALA A 61 -2.069 12.019 6.592 1.00 0.00 O ATOM 938 CB ALA A 61 0.927 12.703 6.984 1.00 0.00 C ATOM 0 H ALA A 61 0.238 11.655 9.097 1.00 0.00 H new ATOM 0 HA ALA A 61 -0.167 14.205 8.049 1.00 0.00 H new ATOM 0 HB1 ALA A 61 1.046 13.307 6.085 1.00 0.00 H new ATOM 0 HB2 ALA A 61 1.809 12.814 7.615 1.00 0.00 H new ATOM 0 HB3 ALA A 61 0.810 11.656 6.705 1.00 0.00 H new ATOM 944 N VAL A 62 -1.986 14.258 6.390 1.00 0.00 N ATOM 945 CA VAL A 62 -3.153 14.335 5.522 1.00 0.00 C ATOM 946 C VAL A 62 -2.795 13.934 4.094 1.00 0.00 C ATOM 947 O VAL A 62 -1.925 14.539 3.469 1.00 0.00 O ATOM 948 CB VAL A 62 -3.756 15.754 5.519 1.00 0.00 C ATOM 949 CG1 VAL A 62 -2.750 16.765 4.992 1.00 0.00 C ATOM 950 CG2 VAL A 62 -5.039 15.789 4.701 1.00 0.00 C ATOM 0 H VAL A 62 -1.557 15.159 6.600 1.00 0.00 H new ATOM 0 HA VAL A 62 -3.895 13.640 5.915 1.00 0.00 H new ATOM 0 HB VAL A 62 -4.000 16.025 6.546 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -3.196 17.759 4.998 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -1.864 16.761 5.626 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -2.468 16.500 3.973 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -5.449 16.799 4.711 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -4.824 15.495 3.674 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -5.764 15.098 5.132 1.00 0.00 H new ATOM 960 N LEU A 63 -3.468 12.907 3.587 1.00 0.00 N ATOM 961 CA LEU A 63 -3.217 12.420 2.236 1.00 0.00 C ATOM 962 C LEU A 63 -3.985 13.243 1.206 1.00 0.00 C ATOM 963 O LEU A 63 -5.110 13.676 1.456 1.00 0.00 O ATOM 964 CB LEU A 63 -3.609 10.944 2.119 1.00 0.00 C ATOM 965 CG LEU A 63 -3.386 10.109 3.383 1.00 0.00 C ATOM 966 CD1 LEU A 63 -3.710 8.646 3.119 1.00 0.00 C ATOM 967 CD2 LEU A 63 -1.954 10.258 3.876 1.00 0.00 C ATOM 0 H LEU A 63 -4.192 12.396 4.092 1.00 0.00 H new ATOM 0 HA LEU A 63 -2.151 12.523 2.035 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -4.662 10.885 1.845 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -3.041 10.497 1.303 1.00 0.00 H new ATOM 0 HG LEU A 63 -4.057 10.476 4.160 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -3.546 8.067 4.028 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -4.752 8.554 2.813 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -3.064 8.268 2.326 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -1.814 9.658 4.775 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -1.266 9.918 3.102 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -1.755 11.305 4.105 1.00 0.00 H new ATOM 979 N GLU A 64 -3.370 13.452 0.047 1.00 0.00 N ATOM 980 CA GLU A 64 -3.994 14.220 -1.024 1.00 0.00 C ATOM 981 C GLU A 64 -4.213 13.346 -2.257 1.00 0.00 C ATOM 982 O GLU A 64 -3.554 12.320 -2.426 1.00 0.00 O ATOM 983 CB GLU A 64 -3.132 15.446 -1.369 1.00 0.00 C ATOM 984 CG GLU A 64 -2.215 15.259 -2.572 1.00 0.00 C ATOM 985 CD GLU A 64 -0.926 16.048 -2.449 1.00 0.00 C ATOM 986 OE1 GLU A 64 -0.892 17.009 -1.652 1.00 0.00 O ATOM 987 OE2 GLU A 64 0.049 15.705 -3.151 1.00 0.00 O ATOM 0 H GLU A 64 -2.439 13.100 -0.175 1.00 0.00 H new ATOM 0 HA GLU A 64 -4.968 14.568 -0.681 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -3.790 16.294 -1.559 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -2.524 15.702 -0.501 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -1.980 14.201 -2.684 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -2.740 15.566 -3.476 1.00 0.00 H new ATOM 994 N ALA A 65 -5.139 13.758 -3.116 1.00 0.00 N ATOM 995 CA ALA A 65 -5.435 13.009 -4.329 1.00 0.00 C ATOM 996 C ALA A 65 -4.213 12.936 -5.236 1.00 0.00 C ATOM 997 O ALA A 65 -4.027 13.779 -6.115 1.00 0.00 O ATOM 998 CB ALA A 65 -6.609 13.636 -5.067 1.00 0.00 C ATOM 0 H ALA A 65 -5.695 14.604 -2.994 1.00 0.00 H new ATOM 0 HA ALA A 65 -5.706 11.993 -4.043 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -6.817 13.064 -5.971 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -7.489 13.630 -4.423 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -6.363 14.663 -5.336 1.00 0.00 H new ATOM 1004 N GLY A 66 -3.380 11.925 -5.014 1.00 0.00 N ATOM 1005 CA GLY A 66 -2.182 11.760 -5.815 1.00 0.00 C ATOM 1006 C GLY A 66 -0.933 11.606 -4.967 1.00 0.00 C ATOM 1007 O GLY A 66 0.101 11.149 -5.453 1.00 0.00 O ATOM 0 H GLY A 66 -3.514 11.216 -4.293 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -2.294 10.884 -6.454 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -2.067 12.622 -6.473 1.00 0.00 H new ATOM 1011 N CYS A 67 -1.028 11.988 -3.696 1.00 0.00 N ATOM 1012 CA CYS A 67 0.106 11.888 -2.783 1.00 0.00 C ATOM 1013 C CYS A 67 0.492 10.430 -2.554 1.00 0.00 C ATOM 1014 O CYS A 67 -0.356 9.539 -2.592 1.00 0.00 O ATOM 1015 CB CYS A 67 -0.226 12.553 -1.445 1.00 0.00 C ATOM 1016 SG CYS A 67 1.125 12.509 -0.243 1.00 0.00 S ATOM 0 H CYS A 67 -1.876 12.369 -3.276 1.00 0.00 H new ATOM 0 HA CYS A 67 0.951 12.404 -3.238 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -0.503 13.592 -1.626 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -1.098 12.061 -1.014 1.00 0.00 H new ATOM 0 HG CYS A 67 0.749 13.097 0.854 1.00 0.00 H new ATOM 1022 N VAL A 68 1.778 10.194 -2.315 1.00 0.00 N ATOM 1023 CA VAL A 68 2.276 8.845 -2.078 1.00 0.00 C ATOM 1024 C VAL A 68 2.045 8.423 -0.630 1.00 0.00 C ATOM 1025 O VAL A 68 2.696 8.927 0.285 1.00 0.00 O ATOM 1026 CB VAL A 68 3.778 8.732 -2.399 1.00 0.00 C ATOM 1027 CG1 VAL A 68 4.211 7.274 -2.417 1.00 0.00 C ATOM 1028 CG2 VAL A 68 4.094 9.405 -3.727 1.00 0.00 C ATOM 0 H VAL A 68 2.494 10.920 -2.280 1.00 0.00 H new ATOM 0 HA VAL A 68 1.721 8.183 -2.743 1.00 0.00 H new ATOM 0 HB VAL A 68 4.337 9.245 -1.616 1.00 0.00 H new ATOM 0 HG11 VAL A 68 5.275 7.213 -2.645 1.00 0.00 H new ATOM 0 HG12 VAL A 68 4.023 6.827 -1.441 1.00 0.00 H new ATOM 0 HG13 VAL A 68 3.645 6.736 -3.178 1.00 0.00 H new ATOM 0 HG21 VAL A 68 5.160 9.315 -3.936 1.00 0.00 H new ATOM 0 HG22 VAL A 68 3.526 8.924 -4.523 1.00 0.00 H new ATOM 0 HG23 VAL A 68 3.823 10.459 -3.674 1.00 0.00 H new ATOM 1038 N VAL A 69 1.112 7.499 -0.431 1.00 0.00 N ATOM 1039 CA VAL A 69 0.792 7.010 0.906 1.00 0.00 C ATOM 1040 C VAL A 69 1.780 5.939 1.355 1.00 0.00 C ATOM 1041 O VAL A 69 2.007 5.753 2.550 1.00 0.00 O ATOM 1042 CB VAL A 69 -0.635 6.432 0.966 1.00 0.00 C ATOM 1043 CG1 VAL A 69 -1.042 6.165 2.407 1.00 0.00 C ATOM 1044 CG2 VAL A 69 -1.622 7.372 0.291 1.00 0.00 C ATOM 0 H VAL A 69 0.564 7.073 -1.178 1.00 0.00 H new ATOM 0 HA VAL A 69 0.860 7.866 1.578 1.00 0.00 H new ATOM 0 HB VAL A 69 -0.646 5.484 0.427 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -2.053 5.757 2.430 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -0.352 5.449 2.853 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -1.014 7.097 2.972 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -2.624 6.946 0.344 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -1.610 8.337 0.798 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -1.340 7.507 -0.753 1.00 0.00 H new ATOM 1054 N ALA A 70 2.365 5.234 0.391 1.00 0.00 N ATOM 1055 CA ALA A 70 3.327 4.181 0.692 1.00 0.00 C ATOM 1056 C ALA A 70 4.094 3.763 -0.558 1.00 0.00 C ATOM 1057 O ALA A 70 4.054 4.446 -1.581 1.00 0.00 O ATOM 1058 CB ALA A 70 2.619 2.983 1.307 1.00 0.00 C ATOM 0 H ALA A 70 2.189 5.373 -0.604 1.00 0.00 H new ATOM 0 HA ALA A 70 4.046 4.573 1.411 1.00 0.00 H new ATOM 0 HB1 ALA A 70 3.348 2.203 1.527 1.00 0.00 H new ATOM 0 HB2 ALA A 70 2.123 3.287 2.229 1.00 0.00 H new ATOM 0 HB3 ALA A 70 1.878 2.599 0.606 1.00 0.00 H new ATOM 1064 N ARG A 71 4.794 2.636 -0.468 1.00 0.00 N ATOM 1065 CA ARG A 71 5.572 2.126 -1.591 1.00 0.00 C ATOM 1066 C ARG A 71 5.505 0.604 -1.653 1.00 0.00 C ATOM 1067 O ARG A 71 5.599 -0.074 -0.630 1.00 0.00 O ATOM 1068 CB ARG A 71 7.029 2.579 -1.475 1.00 0.00 C ATOM 1069 CG ARG A 71 7.269 3.990 -1.986 1.00 0.00 C ATOM 1070 CD ARG A 71 7.059 4.083 -3.488 1.00 0.00 C ATOM 1071 NE ARG A 71 8.321 4.211 -4.212 1.00 0.00 N ATOM 1072 CZ ARG A 71 9.001 5.350 -4.321 1.00 0.00 C ATOM 1073 NH1 ARG A 71 8.544 6.461 -3.757 1.00 0.00 N ATOM 1074 NH2 ARG A 71 10.142 5.379 -4.997 1.00 0.00 N ATOM 0 H ARG A 71 4.838 2.059 0.372 1.00 0.00 H new ATOM 0 HA ARG A 71 5.145 2.528 -2.510 1.00 0.00 H new ATOM 0 HB2 ARG A 71 7.337 2.522 -0.431 1.00 0.00 H new ATOM 0 HB3 ARG A 71 7.661 1.887 -2.032 1.00 0.00 H new ATOM 0 HG2 ARG A 71 6.594 4.681 -1.480 1.00 0.00 H new ATOM 0 HG3 ARG A 71 8.285 4.299 -1.740 1.00 0.00 H new ATOM 0 HD2 ARG A 71 6.531 3.195 -3.835 1.00 0.00 H new ATOM 0 HD3 ARG A 71 6.424 4.940 -3.713 1.00 0.00 H new ATOM 0 HE ARG A 71 8.704 3.379 -4.660 1.00 0.00 H new ATOM 0 HH11 ARG A 71 7.667 6.445 -3.236 1.00 0.00 H new ATOM 0 HH12 ARG A 71 9.070 7.331 -3.844 1.00 0.00 H new ATOM 0 HH21 ARG A 71 10.498 4.529 -5.433 1.00 0.00 H new ATOM 0 HH22 ARG A 71 10.663 6.252 -5.081 1.00 0.00 H new ATOM 1088 N LEU A 72 5.341 0.073 -2.860 1.00 0.00 N ATOM 1089 CA LEU A 72 5.261 -1.370 -3.055 1.00 0.00 C ATOM 1090 C LEU A 72 6.624 -1.946 -3.427 1.00 0.00 C ATOM 1091 O LEU A 72 7.474 -1.249 -3.982 1.00 0.00 O ATOM 1092 CB LEU A 72 4.235 -1.703 -4.143 1.00 0.00 C ATOM 1093 CG LEU A 72 3.096 -2.623 -3.700 1.00 0.00 C ATOM 1094 CD1 LEU A 72 3.648 -3.885 -3.056 1.00 0.00 C ATOM 1095 CD2 LEU A 72 2.165 -1.895 -2.742 1.00 0.00 C ATOM 0 H LEU A 72 5.261 0.620 -3.717 1.00 0.00 H new ATOM 0 HA LEU A 72 4.942 -1.822 -2.116 1.00 0.00 H new ATOM 0 HB2 LEU A 72 3.806 -0.772 -4.514 1.00 0.00 H new ATOM 0 HB3 LEU A 72 4.754 -2.170 -4.980 1.00 0.00 H new ATOM 0 HG LEU A 72 2.524 -2.912 -4.582 1.00 0.00 H new ATOM 0 HD11 LEU A 72 2.823 -4.527 -2.747 1.00 0.00 H new ATOM 0 HD12 LEU A 72 4.272 -4.417 -3.774 1.00 0.00 H new ATOM 0 HD13 LEU A 72 4.245 -3.617 -2.184 1.00 0.00 H new ATOM 0 HD21 LEU A 72 1.361 -2.564 -2.437 1.00 0.00 H new ATOM 0 HD22 LEU A 72 2.725 -1.576 -1.863 1.00 0.00 H new ATOM 0 HD23 LEU A 72 1.742 -1.022 -3.239 1.00 0.00 H new