USER MOD reduce.3.24.130724 H: found=0, std=0, add=540, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 541 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 13 THR OG1 : rot 61:sc= -0.936 USER MOD Single : A 18 GLN : amide:sc= -0.65 K(o=-0.65,f=-0.042) USER MOD Single : A 20 SER OG : rot -29:sc= 0.457! USER MOD Single : A 23 GLN : amide:sc=-0.00894 X(o=-0.0089,f=0) USER MOD Single : A 25 SER OG : rot 160:sc= -0.537 USER MOD Single : A 36 THR OG1 : rot 180:sc= -0.228 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 41 CYS SG : rot -62:sc= 0.619 USER MOD Single : A 42 LYS NZ :NH3+ 142:sc= -0.0696 (180deg=-0.48) USER MOD Single : A 44 SER OG : rot -70:sc= -2.03! USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 CYS SG : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 165:sc= 0 (180deg=-0.0428) USER MOD Single : A 67 SER OG : rot 180:sc= -0.0204 USER MOD Single : A 69 THR OG1 : rot 180:sc= -1.17 USER MOD Single : A 70 GLN : amide:sc= 0 X(o=0,f=-0.054) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 HIS : no HD1:sc= -0.112 X(o=-0.11,f=-0.0042) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc=-0.00183 (180deg=-0.00183) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 147 N THR A 13 10.639 19.094 3.999 1.00 0.00 N ATOM 148 CA THR A 13 11.133 18.266 5.091 1.00 0.00 C ATOM 149 C THR A 13 10.667 16.822 4.941 1.00 0.00 C ATOM 150 O THR A 13 9.537 16.549 4.537 1.00 0.00 O ATOM 151 CB THR A 13 10.669 18.804 6.459 1.00 0.00 C ATOM 152 OG1 THR A 13 11.595 18.412 7.478 1.00 0.00 O ATOM 153 CG2 THR A 13 9.281 18.286 6.801 1.00 0.00 C ATOM 0 HA THR A 13 12.222 18.300 5.046 1.00 0.00 H new ATOM 0 HB THR A 13 10.630 19.892 6.403 1.00 0.00 H new ATOM 0 HG1 THR A 13 12.478 18.788 7.280 1.00 0.00 H new ATOM 0 HG21 THR A 13 8.975 18.679 7.771 1.00 0.00 H new ATOM 0 HG22 THR A 13 8.573 18.610 6.038 1.00 0.00 H new ATOM 0 HG23 THR A 13 9.299 17.197 6.840 1.00 0.00 H new ATOM 161 N PRO A 14 11.557 15.875 5.272 1.00 0.00 N ATOM 162 CA PRO A 14 11.259 14.443 5.184 1.00 0.00 C ATOM 163 C PRO A 14 10.245 13.996 6.231 1.00 0.00 C ATOM 164 O PRO A 14 10.052 14.663 7.248 1.00 0.00 O ATOM 165 CB PRO A 14 12.615 13.781 5.436 1.00 0.00 C ATOM 166 CG PRO A 14 13.380 14.778 6.236 1.00 0.00 C ATOM 167 CD PRO A 14 12.923 16.129 5.760 1.00 0.00 C ATOM 0 HA PRO A 14 10.812 14.179 4.225 1.00 0.00 H new ATOM 0 HB2 PRO A 14 12.502 12.842 5.977 1.00 0.00 H new ATOM 0 HB3 PRO A 14 13.123 13.551 4.500 1.00 0.00 H new ATOM 0 HG2 PRO A 14 13.187 14.654 7.302 1.00 0.00 H new ATOM 0 HG3 PRO A 14 14.453 14.655 6.090 1.00 0.00 H new ATOM 0 HD2 PRO A 14 12.932 16.863 6.566 1.00 0.00 H new ATOM 0 HD3 PRO A 14 13.567 16.515 4.970 1.00 0.00 H new ATOM 175 N VAL A 15 9.600 12.862 5.978 1.00 0.00 N ATOM 176 CA VAL A 15 8.606 12.325 6.900 1.00 0.00 C ATOM 177 C VAL A 15 8.636 10.800 6.914 1.00 0.00 C ATOM 178 O VAL A 15 9.129 10.170 5.978 1.00 0.00 O ATOM 179 CB VAL A 15 7.187 12.795 6.534 1.00 0.00 C ATOM 180 CG1 VAL A 15 6.263 12.699 7.738 1.00 0.00 C ATOM 181 CG2 VAL A 15 7.221 14.216 5.991 1.00 0.00 C ATOM 0 H VAL A 15 9.748 12.297 5.142 1.00 0.00 H new ATOM 0 HA VAL A 15 8.860 12.700 7.891 1.00 0.00 H new ATOM 0 HB VAL A 15 6.797 12.140 5.755 1.00 0.00 H new ATOM 0 HG11 VAL A 15 5.265 13.036 7.458 1.00 0.00 H new ATOM 0 HG12 VAL A 15 6.215 11.665 8.078 1.00 0.00 H new ATOM 0 HG13 VAL A 15 6.646 13.328 8.542 1.00 0.00 H new ATOM 0 HG21 VAL A 15 6.209 14.533 5.737 1.00 0.00 H new ATOM 0 HG22 VAL A 15 7.632 14.885 6.747 1.00 0.00 H new ATOM 0 HG23 VAL A 15 7.846 14.250 5.099 1.00 0.00 H new ATOM 191 N PHE A 16 8.105 10.213 7.981 1.00 0.00 N ATOM 192 CA PHE A 16 8.071 8.762 8.118 1.00 0.00 C ATOM 193 C PHE A 16 6.709 8.294 8.622 1.00 0.00 C ATOM 194 O PHE A 16 6.206 8.790 9.629 1.00 0.00 O ATOM 195 CB PHE A 16 9.170 8.292 9.074 1.00 0.00 C ATOM 196 CG PHE A 16 9.984 7.151 8.536 1.00 0.00 C ATOM 197 CD1 PHE A 16 9.398 5.922 8.285 1.00 0.00 C ATOM 198 CD2 PHE A 16 11.338 7.307 8.283 1.00 0.00 C ATOM 199 CE1 PHE A 16 10.144 4.868 7.789 1.00 0.00 C ATOM 200 CE2 PHE A 16 12.090 6.258 7.788 1.00 0.00 C ATOM 201 CZ PHE A 16 11.492 5.037 7.542 1.00 0.00 C ATOM 0 H PHE A 16 7.692 10.720 8.764 1.00 0.00 H new ATOM 0 HA PHE A 16 8.244 8.326 7.134 1.00 0.00 H new ATOM 0 HB2 PHE A 16 9.833 9.129 9.293 1.00 0.00 H new ATOM 0 HB3 PHE A 16 8.715 7.990 10.018 1.00 0.00 H new ATOM 0 HD1 PHE A 16 8.345 5.784 8.479 1.00 0.00 H new ATOM 0 HD2 PHE A 16 11.811 8.259 8.475 1.00 0.00 H new ATOM 0 HE1 PHE A 16 9.673 3.915 7.595 1.00 0.00 H new ATOM 0 HE2 PHE A 16 13.144 6.393 7.594 1.00 0.00 H new ATOM 0 HZ PHE A 16 12.078 4.216 7.157 1.00 0.00 H new ATOM 211 N GLU A 17 6.118 7.338 7.912 1.00 0.00 N ATOM 212 CA GLU A 17 4.814 6.804 8.287 1.00 0.00 C ATOM 213 C GLU A 17 4.811 5.280 8.225 1.00 0.00 C ATOM 214 O GLU A 17 5.560 4.679 7.455 1.00 0.00 O ATOM 215 CB GLU A 17 3.726 7.366 7.369 1.00 0.00 C ATOM 216 CG GLU A 17 2.470 7.796 8.107 1.00 0.00 C ATOM 217 CD GLU A 17 1.803 6.650 8.842 1.00 0.00 C ATOM 218 OE1 GLU A 17 1.000 5.930 8.212 1.00 0.00 O ATOM 219 OE2 GLU A 17 2.083 6.473 10.046 1.00 0.00 O ATOM 0 H GLU A 17 6.521 6.918 7.075 1.00 0.00 H new ATOM 0 HA GLU A 17 4.607 7.108 9.313 1.00 0.00 H new ATOM 0 HB2 GLU A 17 4.128 8.220 6.824 1.00 0.00 H new ATOM 0 HB3 GLU A 17 3.462 6.611 6.628 1.00 0.00 H new ATOM 0 HG2 GLU A 17 2.723 8.581 8.819 1.00 0.00 H new ATOM 0 HG3 GLU A 17 1.765 8.226 7.396 1.00 0.00 H new ATOM 226 N GLN A 18 3.964 4.661 9.041 1.00 0.00 N ATOM 227 CA GLN A 18 3.864 3.208 9.079 1.00 0.00 C ATOM 228 C GLN A 18 2.439 2.752 8.783 1.00 0.00 C ATOM 229 O GLN A 18 1.475 3.302 9.317 1.00 0.00 O ATOM 230 CB GLN A 18 4.307 2.681 10.445 1.00 0.00 C ATOM 231 CG GLN A 18 5.732 2.152 10.461 1.00 0.00 C ATOM 232 CD GLN A 18 5.926 1.027 11.459 1.00 0.00 C ATOM 233 OE1 GLN A 18 5.521 1.132 12.616 1.00 0.00 O ATOM 234 NE2 GLN A 18 6.548 -0.058 11.014 1.00 0.00 N ATOM 0 H GLN A 18 3.337 5.144 9.685 1.00 0.00 H new ATOM 0 HA GLN A 18 4.522 2.804 8.310 1.00 0.00 H new ATOM 0 HB2 GLN A 18 4.217 3.481 11.180 1.00 0.00 H new ATOM 0 HB3 GLN A 18 3.630 1.885 10.755 1.00 0.00 H new ATOM 0 HG2 GLN A 18 5.995 1.798 9.464 1.00 0.00 H new ATOM 0 HG3 GLN A 18 6.415 2.967 10.700 1.00 0.00 H new ATOM 0 HE21 GLN A 18 6.867 -0.102 10.046 1.00 0.00 H new ATOM 0 HE22 GLN A 18 6.707 -0.848 11.640 1.00 0.00 H new ATOM 243 N LEU A 19 2.312 1.743 7.928 1.00 0.00 N ATOM 244 CA LEU A 19 1.004 1.212 7.560 1.00 0.00 C ATOM 245 C LEU A 19 0.971 -0.305 7.706 1.00 0.00 C ATOM 246 O LEU A 19 1.724 -1.020 7.044 1.00 0.00 O ATOM 247 CB LEU A 19 0.659 1.605 6.122 1.00 0.00 C ATOM 248 CG LEU A 19 -0.592 2.464 5.943 1.00 0.00 C ATOM 249 CD1 LEU A 19 -0.525 3.696 6.833 1.00 0.00 C ATOM 250 CD2 LEU A 19 -0.759 2.867 4.484 1.00 0.00 C ATOM 0 H LEU A 19 3.099 1.276 7.477 1.00 0.00 H new ATOM 0 HA LEU A 19 0.263 1.639 8.235 1.00 0.00 H new ATOM 0 HB2 LEU A 19 1.508 2.143 5.700 1.00 0.00 H new ATOM 0 HB3 LEU A 19 0.536 0.694 5.537 1.00 0.00 H new ATOM 0 HG LEU A 19 -1.460 1.874 6.238 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -1.424 4.296 6.692 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -0.454 3.388 7.876 1.00 0.00 H new ATOM 0 HD13 LEU A 19 0.351 4.288 6.569 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -1.655 3.478 4.376 1.00 0.00 H new ATOM 0 HD22 LEU A 19 0.111 3.439 4.163 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -0.853 1.973 3.868 1.00 0.00 H new ATOM 262 N SER A 20 0.092 -0.792 8.577 1.00 0.00 N ATOM 263 CA SER A 20 -0.038 -2.226 8.812 1.00 0.00 C ATOM 264 C SER A 20 -1.067 -2.839 7.867 1.00 0.00 C ATOM 265 O SER A 20 -2.240 -2.466 7.881 1.00 0.00 O ATOM 266 CB SER A 20 -0.439 -2.491 10.264 1.00 0.00 C ATOM 267 OG SER A 20 -1.808 -2.847 10.358 1.00 0.00 O ATOM 0 H SER A 20 -0.540 -0.215 9.131 1.00 0.00 H new ATOM 0 HA SER A 20 0.929 -2.691 8.619 1.00 0.00 H new ATOM 0 HB2 SER A 20 0.177 -3.291 10.675 1.00 0.00 H new ATOM 0 HB3 SER A 20 -0.249 -1.602 10.865 1.00 0.00 H new ATOM 0 HG SER A 20 -2.306 -2.430 9.624 1.00 0.00 H new ATOM 273 N VAL A 21 -0.618 -3.784 7.047 1.00 0.00 N ATOM 274 CA VAL A 21 -1.499 -4.452 6.096 1.00 0.00 C ATOM 275 C VAL A 21 -1.557 -5.952 6.361 1.00 0.00 C ATOM 276 O VAL A 21 -0.607 -6.557 6.859 1.00 0.00 O ATOM 277 CB VAL A 21 -1.041 -4.214 4.645 1.00 0.00 C ATOM 278 CG1 VAL A 21 -0.702 -2.749 4.425 1.00 0.00 C ATOM 279 CG2 VAL A 21 0.149 -5.101 4.310 1.00 0.00 C ATOM 0 H VAL A 21 0.350 -4.104 7.022 1.00 0.00 H new ATOM 0 HA VAL A 21 -2.493 -4.025 6.230 1.00 0.00 H new ATOM 0 HB VAL A 21 -1.861 -4.476 3.976 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -0.381 -2.601 3.394 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -1.583 -2.138 4.622 1.00 0.00 H new ATOM 0 HG13 VAL A 21 0.101 -2.456 5.101 1.00 0.00 H new ATOM 0 HG21 VAL A 21 0.460 -4.920 3.281 1.00 0.00 H new ATOM 0 HG22 VAL A 21 0.975 -4.872 4.984 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -0.133 -6.147 4.425 1.00 0.00 H new ATOM 289 N PRO A 22 -2.697 -6.570 6.018 1.00 0.00 N ATOM 290 CA PRO A 22 -2.907 -8.008 6.208 1.00 0.00 C ATOM 291 C PRO A 22 -2.054 -8.848 5.263 1.00 0.00 C ATOM 292 O PRO A 22 -1.739 -8.420 4.153 1.00 0.00 O ATOM 293 CB PRO A 22 -4.393 -8.194 5.896 1.00 0.00 C ATOM 294 CG PRO A 22 -4.734 -7.064 4.987 1.00 0.00 C ATOM 295 CD PRO A 22 -3.871 -5.912 5.419 1.00 0.00 C ATOM 0 HA PRO A 22 -2.625 -8.332 7.210 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -4.580 -9.156 5.419 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -4.995 -8.167 6.804 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -4.541 -7.328 3.947 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -5.791 -6.809 5.061 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -3.591 -5.281 4.575 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -4.384 -5.273 6.138 1.00 0.00 H new ATOM 303 N GLN A 23 -1.686 -10.043 5.712 1.00 0.00 N ATOM 304 CA GLN A 23 -0.869 -10.943 4.905 1.00 0.00 C ATOM 305 C GLN A 23 -1.671 -11.504 3.735 1.00 0.00 C ATOM 306 O GLN A 23 -1.110 -12.095 2.812 1.00 0.00 O ATOM 307 CB GLN A 23 -0.329 -12.086 5.765 1.00 0.00 C ATOM 308 CG GLN A 23 -1.364 -13.157 6.072 1.00 0.00 C ATOM 309 CD GLN A 23 -0.737 -14.458 6.532 1.00 0.00 C ATOM 310 OE1 GLN A 23 -1.077 -15.534 6.036 1.00 0.00 O ATOM 311 NE2 GLN A 23 0.183 -14.369 7.485 1.00 0.00 N ATOM 0 H GLN A 23 -1.940 -10.411 6.629 1.00 0.00 H new ATOM 0 HA GLN A 23 -0.030 -10.372 4.506 1.00 0.00 H new ATOM 0 HB2 GLN A 23 0.517 -12.546 5.254 1.00 0.00 H new ATOM 0 HB3 GLN A 23 0.048 -11.678 6.702 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -2.042 -12.792 6.844 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -1.965 -13.342 5.182 1.00 0.00 H new ATOM 0 HE21 GLN A 23 0.434 -13.458 7.868 1.00 0.00 H new ATOM 0 HE22 GLN A 23 0.638 -15.212 7.834 1.00 0.00 H new ATOM 320 N ARG A 24 -2.986 -11.318 3.782 1.00 0.00 N ATOM 321 CA ARG A 24 -3.866 -11.807 2.728 1.00 0.00 C ATOM 322 C ARG A 24 -3.887 -10.843 1.546 1.00 0.00 C ATOM 323 O ARG A 24 -4.033 -11.257 0.396 1.00 0.00 O ATOM 324 CB ARG A 24 -5.284 -12.002 3.266 1.00 0.00 C ATOM 325 CG ARG A 24 -6.094 -10.718 3.331 1.00 0.00 C ATOM 326 CD ARG A 24 -6.947 -10.659 4.588 1.00 0.00 C ATOM 327 NE ARG A 24 -8.149 -9.852 4.396 1.00 0.00 N ATOM 328 CZ ARG A 24 -9.140 -9.789 5.279 1.00 0.00 C ATOM 329 NH1 ARG A 24 -9.071 -10.479 6.409 1.00 0.00 N ATOM 330 NH2 ARG A 24 -10.202 -9.032 5.032 1.00 0.00 N ATOM 0 H ARG A 24 -3.466 -10.832 4.540 1.00 0.00 H new ATOM 0 HA ARG A 24 -3.480 -12.767 2.385 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -5.807 -12.720 2.634 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -5.228 -12.437 4.264 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -5.421 -9.861 3.306 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -6.734 -10.646 2.452 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -7.232 -11.670 4.881 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -6.359 -10.244 5.406 1.00 0.00 H new ATOM 0 HE ARG A 24 -8.232 -9.307 3.538 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -8.256 -11.060 6.603 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -9.833 -10.428 7.085 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -10.257 -8.499 4.164 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -10.963 -8.984 5.710 1.00 0.00 H new ATOM 344 N SER A 25 -3.743 -9.554 1.838 1.00 0.00 N ATOM 345 CA SER A 25 -3.750 -8.530 0.800 1.00 0.00 C ATOM 346 C SER A 25 -2.329 -8.081 0.470 1.00 0.00 C ATOM 347 O SER A 25 -2.096 -7.415 -0.539 1.00 0.00 O ATOM 348 CB SER A 25 -4.585 -7.328 1.246 1.00 0.00 C ATOM 349 OG SER A 25 -5.718 -7.742 1.990 1.00 0.00 O ATOM 0 H SER A 25 -3.620 -9.194 2.785 1.00 0.00 H new ATOM 0 HA SER A 25 -4.195 -8.960 -0.097 1.00 0.00 H new ATOM 0 HB2 SER A 25 -3.972 -6.660 1.852 1.00 0.00 H new ATOM 0 HB3 SER A 25 -4.907 -6.761 0.373 1.00 0.00 H new ATOM 0 HG SER A 25 -6.050 -6.991 2.525 1.00 0.00 H new ATOM 355 N VAL A 26 -1.384 -8.452 1.327 1.00 0.00 N ATOM 356 CA VAL A 26 0.014 -8.090 1.127 1.00 0.00 C ATOM 357 C VAL A 26 0.537 -8.628 -0.201 1.00 0.00 C ATOM 358 O VAL A 26 1.502 -8.106 -0.757 1.00 0.00 O ATOM 359 CB VAL A 26 0.901 -8.622 2.269 1.00 0.00 C ATOM 360 CG1 VAL A 26 1.206 -10.098 2.064 1.00 0.00 C ATOM 361 CG2 VAL A 26 2.185 -7.812 2.367 1.00 0.00 C ATOM 0 H VAL A 26 -1.561 -9.003 2.167 1.00 0.00 H new ATOM 0 HA VAL A 26 0.060 -7.001 1.118 1.00 0.00 H new ATOM 0 HB VAL A 26 0.358 -8.515 3.208 1.00 0.00 H new ATOM 0 HG11 VAL A 26 1.833 -10.457 2.880 1.00 0.00 H new ATOM 0 HG12 VAL A 26 0.274 -10.663 2.047 1.00 0.00 H new ATOM 0 HG13 VAL A 26 1.729 -10.233 1.117 1.00 0.00 H new ATOM 0 HG21 VAL A 26 2.800 -8.201 3.179 1.00 0.00 H new ATOM 0 HG22 VAL A 26 2.734 -7.886 1.428 1.00 0.00 H new ATOM 0 HG23 VAL A 26 1.942 -6.768 2.564 1.00 0.00 H new ATOM 371 N GLY A 27 -0.109 -9.676 -0.704 1.00 0.00 N ATOM 372 CA GLY A 27 0.305 -10.267 -1.962 1.00 0.00 C ATOM 373 C GLY A 27 -0.120 -9.439 -3.160 1.00 0.00 C ATOM 374 O GLY A 27 0.400 -9.617 -4.261 1.00 0.00 O ATOM 0 H GLY A 27 -0.911 -10.125 -0.262 1.00 0.00 H new ATOM 0 HA2 GLY A 27 1.389 -10.379 -1.968 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -0.119 -11.267 -2.047 1.00 0.00 H new ATOM 378 N ARG A 28 -1.067 -8.533 -2.944 1.00 0.00 N ATOM 379 CA ARG A 28 -1.563 -7.677 -4.015 1.00 0.00 C ATOM 380 C ARG A 28 -0.909 -6.300 -3.957 1.00 0.00 C ATOM 381 O ARG A 28 -0.735 -5.641 -4.983 1.00 0.00 O ATOM 382 CB ARG A 28 -3.083 -7.534 -3.919 1.00 0.00 C ATOM 383 CG ARG A 28 -3.712 -6.889 -5.144 1.00 0.00 C ATOM 384 CD ARG A 28 -4.397 -7.920 -6.028 1.00 0.00 C ATOM 385 NE ARG A 28 -3.450 -8.609 -6.899 1.00 0.00 N ATOM 386 CZ ARG A 28 -3.798 -9.215 -8.029 1.00 0.00 C ATOM 387 NH1 ARG A 28 -5.064 -9.218 -8.421 1.00 0.00 N ATOM 388 NH2 ARG A 28 -2.878 -9.820 -8.769 1.00 0.00 N ATOM 0 H ARG A 28 -1.506 -8.372 -2.038 1.00 0.00 H new ATOM 0 HA ARG A 28 -1.307 -8.143 -4.967 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -3.524 -8.520 -3.771 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -3.329 -6.940 -3.039 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -4.437 -6.139 -4.829 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -2.944 -6.369 -5.717 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -4.911 -8.650 -5.402 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -5.157 -7.429 -6.635 1.00 0.00 H new ATOM 0 HE ARG A 28 -2.468 -8.626 -6.625 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -5.774 -8.754 -7.855 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -5.328 -9.684 -9.289 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -1.903 -9.820 -8.471 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -3.146 -10.285 -9.636 1.00 0.00 H new ATOM 402 N ILE A 29 -0.547 -5.871 -2.752 1.00 0.00 N ATOM 403 CA ILE A 29 0.088 -4.574 -2.561 1.00 0.00 C ATOM 404 C ILE A 29 1.564 -4.624 -2.943 1.00 0.00 C ATOM 405 O ILE A 29 2.048 -3.781 -3.700 1.00 0.00 O ATOM 406 CB ILE A 29 -0.037 -4.094 -1.104 1.00 0.00 C ATOM 407 CG1 ILE A 29 -1.506 -4.069 -0.676 1.00 0.00 C ATOM 408 CG2 ILE A 29 0.590 -2.717 -0.943 1.00 0.00 C ATOM 409 CD1 ILE A 29 -1.715 -4.390 0.787 1.00 0.00 C ATOM 0 H ILE A 29 -0.683 -6.404 -1.893 1.00 0.00 H new ATOM 0 HA ILE A 29 -0.431 -3.870 -3.212 1.00 0.00 H new ATOM 0 HB ILE A 29 0.498 -4.793 -0.461 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -1.920 -3.083 -0.886 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -2.064 -4.784 -1.280 1.00 0.00 H new ATOM 0 HG21 ILE A 29 0.493 -2.392 0.093 1.00 0.00 H new ATOM 0 HG22 ILE A 29 1.645 -2.764 -1.211 1.00 0.00 H new ATOM 0 HG23 ILE A 29 0.081 -2.007 -1.595 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -2.779 -4.354 1.019 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -1.331 -5.388 0.999 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -1.185 -3.660 1.399 1.00 0.00 H new ATOM 421 N ILE A 30 2.273 -5.617 -2.417 1.00 0.00 N ATOM 422 CA ILE A 30 3.692 -5.778 -2.706 1.00 0.00 C ATOM 423 C ILE A 30 3.906 -6.426 -4.069 1.00 0.00 C ATOM 424 O ILE A 30 4.946 -6.241 -4.701 1.00 0.00 O ATOM 425 CB ILE A 30 4.392 -6.629 -1.630 1.00 0.00 C ATOM 426 CG1 ILE A 30 4.398 -5.891 -0.289 1.00 0.00 C ATOM 427 CG2 ILE A 30 5.812 -6.966 -2.062 1.00 0.00 C ATOM 428 CD1 ILE A 30 5.349 -6.487 0.724 1.00 0.00 C ATOM 0 H ILE A 30 1.888 -6.322 -1.789 1.00 0.00 H new ATOM 0 HA ILE A 30 4.128 -4.779 -2.709 1.00 0.00 H new ATOM 0 HB ILE A 30 3.839 -7.561 -1.508 1.00 0.00 H new ATOM 0 HG12 ILE A 30 4.667 -4.848 -0.458 1.00 0.00 H new ATOM 0 HG13 ILE A 30 3.389 -5.897 0.124 1.00 0.00 H new ATOM 0 HG21 ILE A 30 6.294 -7.568 -1.291 1.00 0.00 H new ATOM 0 HG22 ILE A 30 5.785 -7.527 -2.996 1.00 0.00 H new ATOM 0 HG23 ILE A 30 6.376 -6.045 -2.208 1.00 0.00 H new ATOM 0 HD11 ILE A 30 5.301 -5.914 1.650 1.00 0.00 H new ATOM 0 HD12 ILE A 30 5.068 -7.521 0.923 1.00 0.00 H new ATOM 0 HD13 ILE A 30 6.365 -6.457 0.331 1.00 0.00 H new ATOM 440 N GLY A 31 2.913 -7.188 -4.519 1.00 0.00 N ATOM 441 CA GLY A 31 3.011 -7.852 -5.806 1.00 0.00 C ATOM 442 C GLY A 31 3.537 -9.268 -5.689 1.00 0.00 C ATOM 443 O GLY A 31 3.345 -9.926 -4.667 1.00 0.00 O ATOM 0 H GLY A 31 2.043 -7.357 -4.015 1.00 0.00 H new ATOM 0 HA2 GLY A 31 2.028 -7.871 -6.278 1.00 0.00 H new ATOM 0 HA3 GLY A 31 3.667 -7.277 -6.459 1.00 0.00 H new ATOM 447 N ARG A 32 4.202 -9.740 -6.740 1.00 0.00 N ATOM 448 CA ARG A 32 4.754 -11.088 -6.752 1.00 0.00 C ATOM 449 C ARG A 32 6.068 -11.144 -5.977 1.00 0.00 C ATOM 450 O ARG A 32 6.421 -12.175 -5.406 1.00 0.00 O ATOM 451 CB ARG A 32 4.977 -11.559 -8.190 1.00 0.00 C ATOM 452 CG ARG A 32 5.972 -10.709 -8.962 1.00 0.00 C ATOM 453 CD ARG A 32 6.959 -11.569 -9.735 1.00 0.00 C ATOM 454 NE ARG A 32 7.383 -10.933 -10.978 1.00 0.00 N ATOM 455 CZ ARG A 32 8.494 -11.260 -11.630 1.00 0.00 C ATOM 456 NH1 ARG A 32 9.288 -12.211 -11.157 1.00 0.00 N ATOM 457 NH2 ARG A 32 8.813 -10.635 -12.755 1.00 0.00 N ATOM 0 H ARG A 32 4.371 -9.208 -7.594 1.00 0.00 H new ATOM 0 HA ARG A 32 4.037 -11.751 -6.268 1.00 0.00 H new ATOM 0 HB2 ARG A 32 5.328 -12.591 -8.175 1.00 0.00 H new ATOM 0 HB3 ARG A 32 4.023 -11.555 -8.717 1.00 0.00 H new ATOM 0 HG2 ARG A 32 5.437 -10.058 -9.653 1.00 0.00 H new ATOM 0 HG3 ARG A 32 6.514 -10.064 -8.271 1.00 0.00 H new ATOM 0 HD2 ARG A 32 7.832 -11.767 -9.113 1.00 0.00 H new ATOM 0 HD3 ARG A 32 6.502 -12.533 -9.959 1.00 0.00 H new ATOM 0 HE ARG A 32 6.794 -10.197 -11.368 1.00 0.00 H new ATOM 0 HH11 ARG A 32 9.047 -12.693 -10.291 1.00 0.00 H new ATOM 0 HH12 ARG A 32 10.140 -12.460 -11.659 1.00 0.00 H new ATOM 0 HH21 ARG A 32 8.205 -9.902 -13.121 1.00 0.00 H new ATOM 0 HH22 ARG A 32 9.666 -10.887 -13.254 1.00 0.00 H new ATOM 471 N GLY A 33 6.790 -10.027 -5.965 1.00 0.00 N ATOM 472 CA GLY A 33 8.057 -9.972 -5.259 1.00 0.00 C ATOM 473 C GLY A 33 8.531 -8.549 -5.033 1.00 0.00 C ATOM 474 O GLY A 33 9.715 -8.313 -4.794 1.00 0.00 O ATOM 0 H GLY A 33 6.520 -9.161 -6.431 1.00 0.00 H new ATOM 0 HA2 GLY A 33 7.956 -10.476 -4.298 1.00 0.00 H new ATOM 0 HA3 GLY A 33 8.811 -10.517 -5.827 1.00 0.00 H new ATOM 478 N GLY A 34 7.605 -7.598 -5.110 1.00 0.00 N ATOM 479 CA GLY A 34 7.955 -6.204 -4.912 1.00 0.00 C ATOM 480 C GLY A 34 7.697 -5.360 -6.143 1.00 0.00 C ATOM 481 O GLY A 34 7.487 -4.152 -6.042 1.00 0.00 O ATOM 0 H GLY A 34 6.619 -7.768 -5.306 1.00 0.00 H new ATOM 0 HA2 GLY A 34 7.382 -5.804 -4.075 1.00 0.00 H new ATOM 0 HA3 GLY A 34 9.008 -6.132 -4.641 1.00 0.00 H new ATOM 485 N GLU A 35 7.714 -5.997 -7.310 1.00 0.00 N ATOM 486 CA GLU A 35 7.481 -5.295 -8.567 1.00 0.00 C ATOM 487 C GLU A 35 6.329 -4.302 -8.431 1.00 0.00 C ATOM 488 O GLU A 35 6.256 -3.314 -9.161 1.00 0.00 O ATOM 489 CB GLU A 35 7.178 -6.294 -9.686 1.00 0.00 C ATOM 490 CG GLU A 35 5.773 -6.869 -9.625 1.00 0.00 C ATOM 491 CD GLU A 35 4.816 -6.174 -10.574 1.00 0.00 C ATOM 492 OE1 GLU A 35 5.116 -5.035 -10.990 1.00 0.00 O ATOM 493 OE2 GLU A 35 3.767 -6.768 -10.899 1.00 0.00 O ATOM 0 H GLU A 35 7.887 -6.997 -7.411 1.00 0.00 H new ATOM 0 HA GLU A 35 8.386 -4.742 -8.818 1.00 0.00 H new ATOM 0 HB2 GLU A 35 7.319 -5.802 -10.648 1.00 0.00 H new ATOM 0 HB3 GLU A 35 7.898 -7.111 -9.637 1.00 0.00 H new ATOM 0 HG2 GLU A 35 5.809 -7.932 -9.865 1.00 0.00 H new ATOM 0 HG3 GLU A 35 5.394 -6.785 -8.607 1.00 0.00 H new ATOM 500 N THR A 36 5.430 -4.574 -7.490 1.00 0.00 N ATOM 501 CA THR A 36 4.282 -3.707 -7.258 1.00 0.00 C ATOM 502 C THR A 36 4.590 -2.657 -6.196 1.00 0.00 C ATOM 503 O THR A 36 4.098 -1.530 -6.263 1.00 0.00 O ATOM 504 CB THR A 36 3.046 -4.516 -6.820 1.00 0.00 C ATOM 505 OG1 THR A 36 2.734 -5.506 -7.807 1.00 0.00 O ATOM 506 CG2 THR A 36 1.847 -3.603 -6.612 1.00 0.00 C ATOM 0 H THR A 36 5.475 -5.388 -6.877 1.00 0.00 H new ATOM 0 HA THR A 36 4.066 -3.210 -8.204 1.00 0.00 H new ATOM 0 HB THR A 36 3.276 -5.007 -5.874 1.00 0.00 H new ATOM 0 HG1 THR A 36 1.948 -6.017 -7.521 1.00 0.00 H new ATOM 0 HG21 THR A 36 0.987 -4.197 -6.303 1.00 0.00 H new ATOM 0 HG22 THR A 36 2.078 -2.870 -5.839 1.00 0.00 H new ATOM 0 HG23 THR A 36 1.616 -3.087 -7.544 1.00 0.00 H new ATOM 514 N ILE A 37 5.406 -3.034 -5.218 1.00 0.00 N ATOM 515 CA ILE A 37 5.781 -2.125 -4.142 1.00 0.00 C ATOM 516 C ILE A 37 6.812 -1.107 -4.618 1.00 0.00 C ATOM 517 O ILE A 37 6.925 -0.015 -4.061 1.00 0.00 O ATOM 518 CB ILE A 37 6.350 -2.887 -2.932 1.00 0.00 C ATOM 519 CG1 ILE A 37 6.014 -2.151 -1.634 1.00 0.00 C ATOM 520 CG2 ILE A 37 7.855 -3.061 -3.075 1.00 0.00 C ATOM 521 CD1 ILE A 37 4.534 -1.904 -1.444 1.00 0.00 C ATOM 0 H ILE A 37 5.820 -3.963 -5.148 1.00 0.00 H new ATOM 0 HA ILE A 37 4.873 -1.605 -3.838 1.00 0.00 H new ATOM 0 HB ILE A 37 5.892 -3.875 -2.896 1.00 0.00 H new ATOM 0 HG12 ILE A 37 6.388 -2.730 -0.790 1.00 0.00 H new ATOM 0 HG13 ILE A 37 6.538 -1.195 -1.622 1.00 0.00 H new ATOM 0 HG21 ILE A 37 8.242 -3.602 -2.211 1.00 0.00 H new ATOM 0 HG22 ILE A 37 8.072 -3.624 -3.983 1.00 0.00 H new ATOM 0 HG23 ILE A 37 8.331 -2.082 -3.133 1.00 0.00 H new ATOM 0 HD11 ILE A 37 4.371 -1.378 -0.503 1.00 0.00 H new ATOM 0 HD12 ILE A 37 4.157 -1.298 -2.268 1.00 0.00 H new ATOM 0 HD13 ILE A 37 4.006 -2.857 -1.423 1.00 0.00 H new ATOM 533 N ARG A 38 7.560 -1.470 -5.654 1.00 0.00 N ATOM 534 CA ARG A 38 8.581 -0.589 -6.207 1.00 0.00 C ATOM 535 C ARG A 38 7.957 0.465 -7.116 1.00 0.00 C ATOM 536 O ARG A 38 8.439 1.594 -7.197 1.00 0.00 O ATOM 537 CB ARG A 38 9.619 -1.400 -6.985 1.00 0.00 C ATOM 538 CG ARG A 38 10.088 -2.649 -6.256 1.00 0.00 C ATOM 539 CD ARG A 38 11.578 -2.881 -6.451 1.00 0.00 C ATOM 540 NE ARG A 38 12.202 -3.455 -5.262 1.00 0.00 N ATOM 541 CZ ARG A 38 11.932 -4.672 -4.805 1.00 0.00 C ATOM 542 NH1 ARG A 38 11.053 -5.441 -5.434 1.00 0.00 N ATOM 543 NH2 ARG A 38 12.542 -5.125 -3.716 1.00 0.00 N ATOM 0 H ARG A 38 7.478 -2.369 -6.128 1.00 0.00 H new ATOM 0 HA ARG A 38 9.074 -0.082 -5.378 1.00 0.00 H new ATOM 0 HB2 ARG A 38 9.195 -1.689 -7.947 1.00 0.00 H new ATOM 0 HB3 ARG A 38 10.481 -0.766 -7.194 1.00 0.00 H new ATOM 0 HG2 ARG A 38 9.869 -2.554 -5.192 1.00 0.00 H new ATOM 0 HG3 ARG A 38 9.533 -3.514 -6.620 1.00 0.00 H new ATOM 0 HD2 ARG A 38 11.733 -3.547 -7.300 1.00 0.00 H new ATOM 0 HD3 ARG A 38 12.063 -1.936 -6.695 1.00 0.00 H new ATOM 0 HE ARG A 38 12.883 -2.890 -4.755 1.00 0.00 H new ATOM 0 HH11 ARG A 38 10.582 -5.098 -6.271 1.00 0.00 H new ATOM 0 HH12 ARG A 38 10.848 -6.375 -5.080 1.00 0.00 H new ATOM 0 HH21 ARG A 38 13.219 -4.538 -3.229 1.00 0.00 H new ATOM 0 HH22 ARG A 38 12.333 -6.060 -3.366 1.00 0.00 H new ATOM 557 N SER A 39 6.881 0.086 -7.799 1.00 0.00 N ATOM 558 CA SER A 39 6.193 0.996 -8.707 1.00 0.00 C ATOM 559 C SER A 39 5.486 2.104 -7.932 1.00 0.00 C ATOM 560 O SER A 39 5.084 3.118 -8.505 1.00 0.00 O ATOM 561 CB SER A 39 5.181 0.230 -9.562 1.00 0.00 C ATOM 562 OG SER A 39 5.753 -0.167 -10.796 1.00 0.00 O ATOM 0 H SER A 39 6.467 -0.845 -7.741 1.00 0.00 H new ATOM 0 HA SER A 39 6.938 1.451 -9.360 1.00 0.00 H new ATOM 0 HB2 SER A 39 4.833 -0.649 -9.019 1.00 0.00 H new ATOM 0 HB3 SER A 39 4.308 0.856 -9.747 1.00 0.00 H new ATOM 0 HG SER A 39 5.087 -0.656 -11.323 1.00 0.00 H new ATOM 568 N ILE A 40 5.335 1.902 -6.628 1.00 0.00 N ATOM 569 CA ILE A 40 4.677 2.883 -5.774 1.00 0.00 C ATOM 570 C ILE A 40 5.653 3.970 -5.334 1.00 0.00 C ATOM 571 O ILE A 40 5.308 5.153 -5.305 1.00 0.00 O ATOM 572 CB ILE A 40 4.065 2.223 -4.525 1.00 0.00 C ATOM 573 CG1 ILE A 40 3.040 1.163 -4.933 1.00 0.00 C ATOM 574 CG2 ILE A 40 3.425 3.273 -3.630 1.00 0.00 C ATOM 575 CD1 ILE A 40 2.629 0.251 -3.798 1.00 0.00 C ATOM 0 H ILE A 40 5.659 1.068 -6.139 1.00 0.00 H new ATOM 0 HA ILE A 40 3.879 3.331 -6.365 1.00 0.00 H new ATOM 0 HB ILE A 40 4.861 1.734 -3.963 1.00 0.00 H new ATOM 0 HG12 ILE A 40 2.154 1.659 -5.328 1.00 0.00 H new ATOM 0 HG13 ILE A 40 3.455 0.560 -5.741 1.00 0.00 H new ATOM 0 HG21 ILE A 40 2.997 2.790 -2.751 1.00 0.00 H new ATOM 0 HG22 ILE A 40 4.181 3.993 -3.316 1.00 0.00 H new ATOM 0 HG23 ILE A 40 2.638 3.789 -4.180 1.00 0.00 H new ATOM 0 HD11 ILE A 40 1.901 -0.475 -4.160 1.00 0.00 H new ATOM 0 HD12 ILE A 40 3.505 -0.273 -3.417 1.00 0.00 H new ATOM 0 HD13 ILE A 40 2.184 0.843 -2.998 1.00 0.00 H new ATOM 587 N CYS A 41 6.870 3.563 -4.994 1.00 0.00 N ATOM 588 CA CYS A 41 7.897 4.503 -4.557 1.00 0.00 C ATOM 589 C CYS A 41 8.236 5.493 -5.666 1.00 0.00 C ATOM 590 O CYS A 41 8.574 6.646 -5.402 1.00 0.00 O ATOM 591 CB CYS A 41 9.157 3.750 -4.126 1.00 0.00 C ATOM 592 SG CYS A 41 10.306 3.402 -5.476 1.00 0.00 S ATOM 0 H CYS A 41 7.171 2.588 -5.012 1.00 0.00 H new ATOM 0 HA CYS A 41 7.506 5.060 -3.705 1.00 0.00 H new ATOM 0 HB2 CYS A 41 9.674 4.334 -3.365 1.00 0.00 H new ATOM 0 HB3 CYS A 41 8.864 2.809 -3.661 1.00 0.00 H new ATOM 0 HG CYS A 41 9.728 2.633 -6.350 1.00 0.00 H new ATOM 598 N LYS A 42 8.145 5.033 -6.909 1.00 0.00 N ATOM 599 CA LYS A 42 8.442 5.878 -8.061 1.00 0.00 C ATOM 600 C LYS A 42 7.253 6.770 -8.402 1.00 0.00 C ATOM 601 O LYS A 42 7.423 7.928 -8.783 1.00 0.00 O ATOM 602 CB LYS A 42 8.810 5.016 -9.270 1.00 0.00 C ATOM 603 CG LYS A 42 7.684 4.110 -9.736 1.00 0.00 C ATOM 604 CD LYS A 42 8.106 3.259 -10.922 1.00 0.00 C ATOM 605 CE LYS A 42 9.325 2.411 -10.593 1.00 0.00 C ATOM 606 NZ LYS A 42 10.585 3.038 -11.080 1.00 0.00 N ATOM 0 H LYS A 42 7.868 4.080 -7.145 1.00 0.00 H new ATOM 0 HA LYS A 42 9.289 6.514 -7.805 1.00 0.00 H new ATOM 0 HB2 LYS A 42 9.106 5.667 -10.093 1.00 0.00 H new ATOM 0 HB3 LYS A 42 9.677 4.405 -9.019 1.00 0.00 H new ATOM 0 HG2 LYS A 42 7.373 3.463 -8.915 1.00 0.00 H new ATOM 0 HG3 LYS A 42 6.820 4.715 -10.010 1.00 0.00 H new ATOM 0 HD2 LYS A 42 7.281 2.612 -11.219 1.00 0.00 H new ATOM 0 HD3 LYS A 42 8.328 3.903 -11.773 1.00 0.00 H new ATOM 0 HE2 LYS A 42 9.385 2.265 -9.515 1.00 0.00 H new ATOM 0 HE3 LYS A 42 9.213 1.424 -11.043 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 11.343 2.879 -10.386 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 10.855 2.614 -11.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 10.439 4.060 -11.204 1.00 0.00 H new ATOM 620 N ALA A 43 6.049 6.224 -8.263 1.00 0.00 N ATOM 621 CA ALA A 43 4.833 6.973 -8.553 1.00 0.00 C ATOM 622 C ALA A 43 4.624 8.095 -7.542 1.00 0.00 C ATOM 623 O ALA A 43 4.167 9.182 -7.893 1.00 0.00 O ATOM 624 CB ALA A 43 3.630 6.041 -8.565 1.00 0.00 C ATOM 0 H ALA A 43 5.890 5.266 -7.951 1.00 0.00 H new ATOM 0 HA ALA A 43 4.941 7.424 -9.539 1.00 0.00 H new ATOM 0 HB1 ALA A 43 2.728 6.613 -8.783 1.00 0.00 H new ATOM 0 HB2 ALA A 43 3.769 5.278 -9.330 1.00 0.00 H new ATOM 0 HB3 ALA A 43 3.530 5.564 -7.590 1.00 0.00 H new ATOM 630 N SER A 44 4.961 7.824 -6.286 1.00 0.00 N ATOM 631 CA SER A 44 4.807 8.810 -5.223 1.00 0.00 C ATOM 632 C SER A 44 6.135 9.499 -4.923 1.00 0.00 C ATOM 633 O SER A 44 6.170 10.678 -4.572 1.00 0.00 O ATOM 634 CB SER A 44 4.267 8.145 -3.955 1.00 0.00 C ATOM 635 OG SER A 44 5.086 7.057 -3.562 1.00 0.00 O ATOM 0 H SER A 44 5.343 6.929 -5.979 1.00 0.00 H new ATOM 0 HA SER A 44 4.095 9.563 -5.561 1.00 0.00 H new ATOM 0 HB2 SER A 44 4.218 8.877 -3.149 1.00 0.00 H new ATOM 0 HB3 SER A 44 3.250 7.794 -4.129 1.00 0.00 H new ATOM 0 HG SER A 44 4.984 6.323 -4.203 1.00 0.00 H new ATOM 641 N GLY A 45 7.226 8.753 -5.063 1.00 0.00 N ATOM 642 CA GLY A 45 8.542 9.307 -4.804 1.00 0.00 C ATOM 643 C GLY A 45 9.064 8.943 -3.428 1.00 0.00 C ATOM 644 O GLY A 45 10.253 9.092 -3.148 1.00 0.00 O ATOM 0 H GLY A 45 7.222 7.775 -5.351 1.00 0.00 H new ATOM 0 HA2 GLY A 45 9.239 8.947 -5.561 1.00 0.00 H new ATOM 0 HA3 GLY A 45 8.501 10.392 -4.898 1.00 0.00 H new ATOM 648 N ALA A 46 8.172 8.465 -2.566 1.00 0.00 N ATOM 649 CA ALA A 46 8.549 8.079 -1.212 1.00 0.00 C ATOM 650 C ALA A 46 9.042 6.636 -1.170 1.00 0.00 C ATOM 651 O ALA A 46 8.734 5.837 -2.055 1.00 0.00 O ATOM 652 CB ALA A 46 7.374 8.264 -0.264 1.00 0.00 C ATOM 0 H ALA A 46 7.183 8.336 -2.782 1.00 0.00 H new ATOM 0 HA ALA A 46 9.366 8.725 -0.891 1.00 0.00 H new ATOM 0 HB1 ALA A 46 7.670 7.972 0.744 1.00 0.00 H new ATOM 0 HB2 ALA A 46 7.068 9.310 -0.263 1.00 0.00 H new ATOM 0 HB3 ALA A 46 6.541 7.643 -0.592 1.00 0.00 H new ATOM 658 N LYS A 47 9.810 6.308 -0.138 1.00 0.00 N ATOM 659 CA LYS A 47 10.346 4.961 0.021 1.00 0.00 C ATOM 660 C LYS A 47 9.372 4.074 0.791 1.00 0.00 C ATOM 661 O LYS A 47 8.906 4.440 1.871 1.00 0.00 O ATOM 662 CB LYS A 47 11.692 5.008 0.748 1.00 0.00 C ATOM 663 CG LYS A 47 12.868 4.597 -0.122 1.00 0.00 C ATOM 664 CD LYS A 47 12.857 3.104 -0.404 1.00 0.00 C ATOM 665 CE LYS A 47 14.182 2.457 -0.028 1.00 0.00 C ATOM 666 NZ LYS A 47 14.151 0.980 -0.216 1.00 0.00 N ATOM 0 H LYS A 47 10.076 6.957 0.602 1.00 0.00 H new ATOM 0 HA LYS A 47 10.490 4.536 -0.972 1.00 0.00 H new ATOM 0 HB2 LYS A 47 11.860 6.019 1.118 1.00 0.00 H new ATOM 0 HB3 LYS A 47 11.648 4.353 1.618 1.00 0.00 H new ATOM 0 HG2 LYS A 47 12.835 5.146 -1.063 1.00 0.00 H new ATOM 0 HG3 LYS A 47 13.800 4.868 0.373 1.00 0.00 H new ATOM 0 HD2 LYS A 47 12.049 2.633 0.155 1.00 0.00 H new ATOM 0 HD3 LYS A 47 12.654 2.934 -1.461 1.00 0.00 H new ATOM 0 HE2 LYS A 47 14.980 2.884 -0.636 1.00 0.00 H new ATOM 0 HE3 LYS A 47 14.416 2.686 1.012 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 15.072 0.577 0.051 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 13.406 0.569 0.383 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 13.953 0.761 -1.213 1.00 0.00 H new ATOM 680 N ILE A 48 9.069 2.909 0.230 1.00 0.00 N ATOM 681 CA ILE A 48 8.152 1.971 0.865 1.00 0.00 C ATOM 682 C ILE A 48 8.866 0.677 1.245 1.00 0.00 C ATOM 683 O ILE A 48 9.319 -0.073 0.379 1.00 0.00 O ATOM 684 CB ILE A 48 6.963 1.636 -0.054 1.00 0.00 C ATOM 685 CG1 ILE A 48 6.810 2.707 -1.137 1.00 0.00 C ATOM 686 CG2 ILE A 48 5.683 1.513 0.760 1.00 0.00 C ATOM 687 CD1 ILE A 48 6.311 4.033 -0.609 1.00 0.00 C ATOM 0 H ILE A 48 9.445 2.592 -0.663 1.00 0.00 H new ATOM 0 HA ILE A 48 7.778 2.456 1.767 1.00 0.00 H new ATOM 0 HB ILE A 48 7.156 0.679 -0.539 1.00 0.00 H new ATOM 0 HG12 ILE A 48 7.773 2.859 -1.625 1.00 0.00 H new ATOM 0 HG13 ILE A 48 6.120 2.346 -1.899 1.00 0.00 H new ATOM 0 HG21 ILE A 48 4.851 1.276 0.097 1.00 0.00 H new ATOM 0 HG22 ILE A 48 5.796 0.719 1.498 1.00 0.00 H new ATOM 0 HG23 ILE A 48 5.484 2.456 1.269 1.00 0.00 H new ATOM 0 HD11 ILE A 48 6.227 4.744 -1.431 1.00 0.00 H new ATOM 0 HD12 ILE A 48 5.334 3.896 -0.146 1.00 0.00 H new ATOM 0 HD13 ILE A 48 7.012 4.417 0.132 1.00 0.00 H new ATOM 699 N THR A 49 8.961 0.420 2.545 1.00 0.00 N ATOM 700 CA THR A 49 9.619 -0.783 3.041 1.00 0.00 C ATOM 701 C THR A 49 8.751 -1.500 4.068 1.00 0.00 C ATOM 702 O THR A 49 8.064 -0.863 4.867 1.00 0.00 O ATOM 703 CB THR A 49 10.983 -0.456 3.677 1.00 0.00 C ATOM 704 OG1 THR A 49 11.780 -1.643 3.765 1.00 0.00 O ATOM 705 CG2 THR A 49 10.805 0.145 5.062 1.00 0.00 C ATOM 0 H THR A 49 8.590 1.029 3.275 1.00 0.00 H new ATOM 0 HA THR A 49 9.775 -1.435 2.182 1.00 0.00 H new ATOM 0 HB THR A 49 11.488 0.274 3.044 1.00 0.00 H new ATOM 0 HG1 THR A 49 12.646 -1.426 4.169 1.00 0.00 H new ATOM 0 HG21 THR A 49 11.782 0.367 5.490 1.00 0.00 H new ATOM 0 HG22 THR A 49 10.224 1.064 4.988 1.00 0.00 H new ATOM 0 HG23 THR A 49 10.281 -0.565 5.702 1.00 0.00 H new ATOM 713 N CYS A 50 8.787 -2.827 4.042 1.00 0.00 N ATOM 714 CA CYS A 50 8.002 -3.632 4.973 1.00 0.00 C ATOM 715 C CYS A 50 8.814 -3.966 6.221 1.00 0.00 C ATOM 716 O CYS A 50 10.037 -4.095 6.162 1.00 0.00 O ATOM 717 CB CYS A 50 7.533 -4.921 4.295 1.00 0.00 C ATOM 718 SG CYS A 50 8.799 -6.209 4.204 1.00 0.00 S ATOM 0 H CYS A 50 9.351 -3.369 3.387 1.00 0.00 H new ATOM 0 HA CYS A 50 7.131 -3.050 5.273 1.00 0.00 H new ATOM 0 HB2 CYS A 50 6.671 -5.311 4.837 1.00 0.00 H new ATOM 0 HB3 CYS A 50 7.196 -4.686 3.286 1.00 0.00 H new ATOM 0 HG CYS A 50 8.308 -7.260 3.617 1.00 0.00 H new ATOM 858 N LEU A 60 0.709 -12.777 11.120 1.00 0.00 N ATOM 859 CA LEU A 60 -0.693 -12.687 10.731 1.00 0.00 C ATOM 860 C LEU A 60 -0.912 -11.545 9.743 1.00 0.00 C ATOM 861 O LEU A 60 -1.642 -11.691 8.763 1.00 0.00 O ATOM 862 CB LEU A 60 -1.574 -12.484 11.965 1.00 0.00 C ATOM 863 CG LEU A 60 -2.751 -13.447 12.116 1.00 0.00 C ATOM 864 CD1 LEU A 60 -3.005 -13.754 13.584 1.00 0.00 C ATOM 865 CD2 LEU A 60 -4.000 -12.870 11.466 1.00 0.00 C ATOM 0 HA LEU A 60 -0.970 -13.622 10.245 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -0.946 -12.567 12.852 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -1.964 -11.466 11.945 1.00 0.00 H new ATOM 0 HG LEU A 60 -2.500 -14.379 11.609 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -3.847 -14.441 13.672 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -2.116 -14.211 14.019 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -3.234 -12.830 14.115 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -4.828 -13.570 11.584 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -4.254 -11.924 11.943 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -3.814 -12.703 10.405 1.00 0.00 H new ATOM 877 N SER A 61 -0.272 -10.411 10.007 1.00 0.00 N ATOM 878 CA SER A 61 -0.398 -9.244 9.141 1.00 0.00 C ATOM 879 C SER A 61 0.965 -8.606 8.887 1.00 0.00 C ATOM 880 O SER A 61 1.838 -8.617 9.754 1.00 0.00 O ATOM 881 CB SER A 61 -1.345 -8.218 9.768 1.00 0.00 C ATOM 882 OG SER A 61 -2.502 -8.845 10.292 1.00 0.00 O ATOM 0 H SER A 61 0.339 -10.275 10.813 1.00 0.00 H new ATOM 0 HA SER A 61 -0.809 -9.573 8.187 1.00 0.00 H new ATOM 0 HB2 SER A 61 -0.828 -7.679 10.562 1.00 0.00 H new ATOM 0 HB3 SER A 61 -1.635 -7.481 9.019 1.00 0.00 H new ATOM 0 HG SER A 61 -3.090 -8.168 10.688 1.00 0.00 H new ATOM 888 N ARG A 62 1.138 -8.052 7.691 1.00 0.00 N ATOM 889 CA ARG A 62 2.394 -7.412 7.321 1.00 0.00 C ATOM 890 C ARG A 62 2.355 -5.918 7.633 1.00 0.00 C ATOM 891 O ARG A 62 1.295 -5.360 7.917 1.00 0.00 O ATOM 892 CB ARG A 62 2.683 -7.627 5.834 1.00 0.00 C ATOM 893 CG ARG A 62 3.560 -8.835 5.552 1.00 0.00 C ATOM 894 CD ARG A 62 5.010 -8.432 5.336 1.00 0.00 C ATOM 895 NE ARG A 62 5.663 -9.257 4.324 1.00 0.00 N ATOM 896 CZ ARG A 62 5.957 -10.541 4.499 1.00 0.00 C ATOM 897 NH1 ARG A 62 5.658 -11.142 5.643 1.00 0.00 N ATOM 898 NH2 ARG A 62 6.552 -11.226 3.531 1.00 0.00 N ATOM 0 H ARG A 62 0.424 -8.034 6.962 1.00 0.00 H new ATOM 0 HA ARG A 62 3.192 -7.868 7.908 1.00 0.00 H new ATOM 0 HB2 ARG A 62 1.739 -7.742 5.302 1.00 0.00 H new ATOM 0 HB3 ARG A 62 3.167 -6.736 5.434 1.00 0.00 H new ATOM 0 HG2 ARG A 62 3.496 -9.535 6.385 1.00 0.00 H new ATOM 0 HG3 ARG A 62 3.191 -9.356 4.669 1.00 0.00 H new ATOM 0 HD2 ARG A 62 5.054 -7.386 5.034 1.00 0.00 H new ATOM 0 HD3 ARG A 62 5.553 -8.515 6.277 1.00 0.00 H new ATOM 0 HE ARG A 62 5.907 -8.824 3.433 1.00 0.00 H new ATOM 0 HH11 ARG A 62 5.202 -10.618 6.390 1.00 0.00 H new ATOM 0 HH12 ARG A 62 5.884 -12.128 5.776 1.00 0.00 H new ATOM 0 HH21 ARG A 62 6.785 -10.767 2.650 1.00 0.00 H new ATOM 0 HH22 ARG A 62 6.777 -12.212 3.668 1.00 0.00 H new ATOM 912 N LEU A 63 3.518 -5.277 7.577 1.00 0.00 N ATOM 913 CA LEU A 63 3.617 -3.848 7.853 1.00 0.00 C ATOM 914 C LEU A 63 4.396 -3.134 6.753 1.00 0.00 C ATOM 915 O LEU A 63 5.213 -3.744 6.062 1.00 0.00 O ATOM 916 CB LEU A 63 4.292 -3.615 9.205 1.00 0.00 C ATOM 917 CG LEU A 63 3.690 -2.512 10.076 1.00 0.00 C ATOM 918 CD1 LEU A 63 4.303 -2.537 11.467 1.00 0.00 C ATOM 919 CD2 LEU A 63 3.890 -1.152 9.426 1.00 0.00 C ATOM 0 H LEU A 63 4.405 -5.724 7.343 1.00 0.00 H new ATOM 0 HA LEU A 63 2.607 -3.438 7.883 1.00 0.00 H new ATOM 0 HB2 LEU A 63 4.266 -4.549 9.767 1.00 0.00 H new ATOM 0 HB3 LEU A 63 5.341 -3.379 9.028 1.00 0.00 H new ATOM 0 HG LEU A 63 2.619 -2.693 10.171 1.00 0.00 H new ATOM 0 HD11 LEU A 63 3.863 -1.745 12.073 1.00 0.00 H new ATOM 0 HD12 LEU A 63 4.107 -3.502 11.934 1.00 0.00 H new ATOM 0 HD13 LEU A 63 5.379 -2.381 11.393 1.00 0.00 H new ATOM 0 HD21 LEU A 63 3.455 -0.379 10.059 1.00 0.00 H new ATOM 0 HD22 LEU A 63 4.956 -0.962 9.301 1.00 0.00 H new ATOM 0 HD23 LEU A 63 3.402 -1.139 8.451 1.00 0.00 H new ATOM 931 N ILE A 64 4.138 -1.840 6.598 1.00 0.00 N ATOM 932 CA ILE A 64 4.818 -1.043 5.583 1.00 0.00 C ATOM 933 C ILE A 64 5.338 0.265 6.171 1.00 0.00 C ATOM 934 O ILE A 64 4.807 0.770 7.160 1.00 0.00 O ATOM 935 CB ILE A 64 3.887 -0.726 4.399 1.00 0.00 C ATOM 936 CG1 ILE A 64 3.536 -2.009 3.640 1.00 0.00 C ATOM 937 CG2 ILE A 64 4.539 0.285 3.468 1.00 0.00 C ATOM 938 CD1 ILE A 64 4.701 -2.593 2.873 1.00 0.00 C ATOM 0 H ILE A 64 3.464 -1.321 7.161 1.00 0.00 H new ATOM 0 HA ILE A 64 5.658 -1.638 5.224 1.00 0.00 H new ATOM 0 HB ILE A 64 2.966 -0.292 4.787 1.00 0.00 H new ATOM 0 HG12 ILE A 64 3.168 -2.752 4.348 1.00 0.00 H new ATOM 0 HG13 ILE A 64 2.722 -1.800 2.946 1.00 0.00 H new ATOM 0 HG21 ILE A 64 3.868 0.499 2.636 1.00 0.00 H new ATOM 0 HG22 ILE A 64 4.743 1.205 4.015 1.00 0.00 H new ATOM 0 HG23 ILE A 64 5.474 -0.124 3.085 1.00 0.00 H new ATOM 0 HD11 ILE A 64 4.381 -3.500 2.360 1.00 0.00 H new ATOM 0 HD12 ILE A 64 5.055 -1.867 2.141 1.00 0.00 H new ATOM 0 HD13 ILE A 64 5.508 -2.834 3.565 1.00 0.00 H new ATOM 950 N LYS A 65 6.380 0.811 5.553 1.00 0.00 N ATOM 951 CA LYS A 65 6.972 2.063 6.011 1.00 0.00 C ATOM 952 C LYS A 65 7.105 3.054 4.860 1.00 0.00 C ATOM 953 O LYS A 65 7.869 2.831 3.921 1.00 0.00 O ATOM 954 CB LYS A 65 8.344 1.803 6.636 1.00 0.00 C ATOM 955 CG LYS A 65 8.338 1.842 8.154 1.00 0.00 C ATOM 956 CD LYS A 65 9.702 1.493 8.726 1.00 0.00 C ATOM 957 CE LYS A 65 9.716 0.093 9.320 1.00 0.00 C ATOM 958 NZ LYS A 65 10.826 -0.732 8.769 1.00 0.00 N ATOM 0 H LYS A 65 6.832 0.406 4.733 1.00 0.00 H new ATOM 0 HA LYS A 65 6.313 2.494 6.764 1.00 0.00 H new ATOM 0 HB2 LYS A 65 8.705 0.828 6.307 1.00 0.00 H new ATOM 0 HB3 LYS A 65 9.050 2.546 6.265 1.00 0.00 H new ATOM 0 HG2 LYS A 65 8.044 2.836 8.492 1.00 0.00 H new ATOM 0 HG3 LYS A 65 7.593 1.143 8.534 1.00 0.00 H new ATOM 0 HD2 LYS A 65 10.456 1.564 7.942 1.00 0.00 H new ATOM 0 HD3 LYS A 65 9.972 2.218 9.494 1.00 0.00 H new ATOM 0 HE2 LYS A 65 9.816 0.159 10.403 1.00 0.00 H new ATOM 0 HE3 LYS A 65 8.764 -0.397 9.117 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 10.963 -1.573 9.366 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 10.590 -1.030 7.801 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 11.702 -0.171 8.755 1.00 0.00 H new ATOM 972 N ILE A 66 6.359 4.150 4.939 1.00 0.00 N ATOM 973 CA ILE A 66 6.396 5.177 3.906 1.00 0.00 C ATOM 974 C ILE A 66 7.200 6.389 4.363 1.00 0.00 C ATOM 975 O ILE A 66 6.833 7.064 5.325 1.00 0.00 O ATOM 976 CB ILE A 66 4.978 5.634 3.514 1.00 0.00 C ATOM 977 CG1 ILE A 66 4.091 4.423 3.221 1.00 0.00 C ATOM 978 CG2 ILE A 66 5.034 6.561 2.309 1.00 0.00 C ATOM 979 CD1 ILE A 66 2.731 4.494 3.880 1.00 0.00 C ATOM 0 H ILE A 66 5.721 4.350 5.709 1.00 0.00 H new ATOM 0 HA ILE A 66 6.879 4.731 3.036 1.00 0.00 H new ATOM 0 HB ILE A 66 4.545 6.183 4.350 1.00 0.00 H new ATOM 0 HG12 ILE A 66 3.959 4.333 2.143 1.00 0.00 H new ATOM 0 HG13 ILE A 66 4.601 3.520 3.556 1.00 0.00 H new ATOM 0 HG21 ILE A 66 4.024 6.875 2.044 1.00 0.00 H new ATOM 0 HG22 ILE A 66 5.635 7.437 2.552 1.00 0.00 H new ATOM 0 HG23 ILE A 66 5.483 6.035 1.466 1.00 0.00 H new ATOM 0 HD11 ILE A 66 2.158 3.602 3.628 1.00 0.00 H new ATOM 0 HD12 ILE A 66 2.853 4.553 4.961 1.00 0.00 H new ATOM 0 HD13 ILE A 66 2.201 5.378 3.526 1.00 0.00 H new ATOM 991 N SER A 67 8.298 6.661 3.665 1.00 0.00 N ATOM 992 CA SER A 67 9.156 7.791 4.001 1.00 0.00 C ATOM 993 C SER A 67 9.262 8.760 2.827 1.00 0.00 C ATOM 994 O SER A 67 9.135 8.366 1.668 1.00 0.00 O ATOM 995 CB SER A 67 10.550 7.300 4.398 1.00 0.00 C ATOM 996 OG SER A 67 11.039 6.345 3.472 1.00 0.00 O ATOM 0 H SER A 67 8.614 6.115 2.864 1.00 0.00 H new ATOM 0 HA SER A 67 8.709 8.316 4.845 1.00 0.00 H new ATOM 0 HB2 SER A 67 11.236 8.146 4.449 1.00 0.00 H new ATOM 0 HB3 SER A 67 10.513 6.859 5.394 1.00 0.00 H new ATOM 0 HG SER A 67 11.931 6.049 3.748 1.00 0.00 H new ATOM 1002 N GLY A 68 9.496 10.032 3.136 1.00 0.00 N ATOM 1003 CA GLY A 68 9.615 11.039 2.098 1.00 0.00 C ATOM 1004 C GLY A 68 9.006 12.365 2.505 1.00 0.00 C ATOM 1005 O GLY A 68 8.758 12.608 3.686 1.00 0.00 O ATOM 0 H GLY A 68 9.605 10.383 4.087 1.00 0.00 H new ATOM 0 HA2 GLY A 68 10.668 11.185 1.857 1.00 0.00 H new ATOM 0 HA3 GLY A 68 9.127 10.681 1.191 1.00 0.00 H new ATOM 1009 N THR A 69 8.765 13.230 1.523 1.00 0.00 N ATOM 1010 CA THR A 69 8.183 14.540 1.784 1.00 0.00 C ATOM 1011 C THR A 69 6.687 14.434 2.055 1.00 0.00 C ATOM 1012 O THR A 69 6.003 13.584 1.486 1.00 0.00 O ATOM 1013 CB THR A 69 8.412 15.502 0.603 1.00 0.00 C ATOM 1014 OG1 THR A 69 7.487 15.212 -0.451 1.00 0.00 O ATOM 1015 CG2 THR A 69 9.836 15.388 0.080 1.00 0.00 C ATOM 0 H THR A 69 8.964 13.046 0.540 1.00 0.00 H new ATOM 0 HA THR A 69 8.682 14.936 2.668 1.00 0.00 H new ATOM 0 HB THR A 69 8.252 16.521 0.957 1.00 0.00 H new ATOM 0 HG1 THR A 69 7.638 15.829 -1.197 1.00 0.00 H new ATOM 0 HG21 THR A 69 9.974 16.077 -0.754 1.00 0.00 H new ATOM 0 HG22 THR A 69 10.537 15.637 0.876 1.00 0.00 H new ATOM 0 HG23 THR A 69 10.019 14.368 -0.258 1.00 0.00 H new ATOM 1023 N GLN A 70 6.186 15.301 2.929 1.00 0.00 N ATOM 1024 CA GLN A 70 4.769 15.303 3.276 1.00 0.00 C ATOM 1025 C GLN A 70 3.910 14.988 2.055 1.00 0.00 C ATOM 1026 O GLN A 70 2.839 14.393 2.174 1.00 0.00 O ATOM 1027 CB GLN A 70 4.368 16.658 3.861 1.00 0.00 C ATOM 1028 CG GLN A 70 3.090 16.611 4.684 1.00 0.00 C ATOM 1029 CD GLN A 70 3.342 16.243 6.133 1.00 0.00 C ATOM 1030 OE1 GLN A 70 4.064 16.940 6.846 1.00 0.00 O ATOM 1031 NE2 GLN A 70 2.747 15.142 6.576 1.00 0.00 N ATOM 0 H GLN A 70 6.739 16.010 3.410 1.00 0.00 H new ATOM 0 HA GLN A 70 4.602 14.529 4.025 1.00 0.00 H new ATOM 0 HB2 GLN A 70 5.180 17.029 4.487 1.00 0.00 H new ATOM 0 HB3 GLN A 70 4.241 17.372 3.048 1.00 0.00 H new ATOM 0 HG2 GLN A 70 2.598 17.583 4.640 1.00 0.00 H new ATOM 0 HG3 GLN A 70 2.405 15.887 4.243 1.00 0.00 H new ATOM 0 HE21 GLN A 70 2.157 14.594 5.950 1.00 0.00 H new ATOM 0 HE22 GLN A 70 2.880 14.844 7.542 1.00 0.00 H new ATOM 1040 N LYS A 71 4.386 15.393 0.883 1.00 0.00 N ATOM 1041 CA LYS A 71 3.663 15.153 -0.361 1.00 0.00 C ATOM 1042 C LYS A 71 3.641 13.667 -0.700 1.00 0.00 C ATOM 1043 O LYS A 71 2.578 13.087 -0.919 1.00 0.00 O ATOM 1044 CB LYS A 71 4.304 15.940 -1.506 1.00 0.00 C ATOM 1045 CG LYS A 71 4.024 17.432 -1.452 1.00 0.00 C ATOM 1046 CD LYS A 71 2.537 17.724 -1.559 1.00 0.00 C ATOM 1047 CE LYS A 71 2.276 19.199 -1.821 1.00 0.00 C ATOM 1048 NZ LYS A 71 1.578 19.416 -3.118 1.00 0.00 N ATOM 0 H LYS A 71 5.270 15.889 0.768 1.00 0.00 H new ATOM 0 HA LYS A 71 2.635 15.491 -0.226 1.00 0.00 H new ATOM 0 HB2 LYS A 71 5.382 15.780 -1.486 1.00 0.00 H new ATOM 0 HB3 LYS A 71 3.941 15.545 -2.455 1.00 0.00 H new ATOM 0 HG2 LYS A 71 4.410 17.842 -0.519 1.00 0.00 H new ATOM 0 HG3 LYS A 71 4.553 17.932 -2.263 1.00 0.00 H new ATOM 0 HD2 LYS A 71 2.105 17.129 -2.363 1.00 0.00 H new ATOM 0 HD3 LYS A 71 2.039 17.423 -0.637 1.00 0.00 H new ATOM 0 HE2 LYS A 71 1.674 19.611 -1.011 1.00 0.00 H new ATOM 0 HE3 LYS A 71 3.222 19.741 -1.822 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 1.418 20.434 -3.260 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 2.164 19.046 -3.894 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 0.664 18.920 -3.107 1.00 0.00 H new ATOM 1062 N GLU A 72 4.821 13.056 -0.740 1.00 0.00 N ATOM 1063 CA GLU A 72 4.935 11.636 -1.052 1.00 0.00 C ATOM 1064 C GLU A 72 4.283 10.786 0.036 1.00 0.00 C ATOM 1065 O GLU A 72 3.251 10.155 -0.190 1.00 0.00 O ATOM 1066 CB GLU A 72 6.405 11.243 -1.210 1.00 0.00 C ATOM 1067 CG GLU A 72 7.239 12.283 -1.939 1.00 0.00 C ATOM 1068 CD GLU A 72 6.571 12.785 -3.204 1.00 0.00 C ATOM 1069 OE1 GLU A 72 5.367 13.112 -3.148 1.00 0.00 O ATOM 1070 OE2 GLU A 72 7.251 12.849 -4.249 1.00 0.00 O ATOM 0 H GLU A 72 5.711 13.522 -0.560 1.00 0.00 H new ATOM 0 HA GLU A 72 4.415 11.453 -1.992 1.00 0.00 H new ATOM 0 HB2 GLU A 72 6.835 11.072 -0.223 1.00 0.00 H new ATOM 0 HB3 GLU A 72 6.464 10.299 -1.751 1.00 0.00 H new ATOM 0 HG2 GLU A 72 7.426 13.125 -1.273 1.00 0.00 H new ATOM 0 HG3 GLU A 72 8.209 11.854 -2.191 1.00 0.00 H new ATOM 1077 N VAL A 73 4.896 10.774 1.216 1.00 0.00 N ATOM 1078 CA VAL A 73 4.378 10.003 2.338 1.00 0.00 C ATOM 1079 C VAL A 73 2.856 10.086 2.406 1.00 0.00 C ATOM 1080 O VAL A 73 2.197 9.176 2.908 1.00 0.00 O ATOM 1081 CB VAL A 73 4.967 10.491 3.674 1.00 0.00 C ATOM 1082 CG1 VAL A 73 4.397 9.689 4.835 1.00 0.00 C ATOM 1083 CG2 VAL A 73 6.485 10.404 3.650 1.00 0.00 C ATOM 0 H VAL A 73 5.752 11.290 1.419 1.00 0.00 H new ATOM 0 HA VAL A 73 4.676 8.967 2.175 1.00 0.00 H new ATOM 0 HB VAL A 73 4.688 11.535 3.814 1.00 0.00 H new ATOM 0 HG11 VAL A 73 4.825 10.049 5.771 1.00 0.00 H new ATOM 0 HG12 VAL A 73 3.314 9.808 4.862 1.00 0.00 H new ATOM 0 HG13 VAL A 73 4.643 8.635 4.705 1.00 0.00 H new ATOM 0 HG21 VAL A 73 6.885 10.753 4.602 1.00 0.00 H new ATOM 0 HG22 VAL A 73 6.788 9.370 3.487 1.00 0.00 H new ATOM 0 HG23 VAL A 73 6.872 11.027 2.844 1.00 0.00 H new ATOM 1093 N ALA A 74 2.306 11.183 1.895 1.00 0.00 N ATOM 1094 CA ALA A 74 0.862 11.383 1.895 1.00 0.00 C ATOM 1095 C ALA A 74 0.227 10.802 0.636 1.00 0.00 C ATOM 1096 O ALA A 74 -0.863 10.233 0.686 1.00 0.00 O ATOM 1097 CB ALA A 74 0.535 12.864 2.018 1.00 0.00 C ATOM 0 H ALA A 74 2.838 11.946 1.476 1.00 0.00 H new ATOM 0 HA ALA A 74 0.447 10.857 2.755 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -0.547 12.999 2.017 1.00 0.00 H new ATOM 0 HB2 ALA A 74 0.948 13.252 2.949 1.00 0.00 H new ATOM 0 HB3 ALA A 74 0.969 13.404 1.176 1.00 0.00 H new ATOM 1103 N ALA A 75 0.916 10.951 -0.491 1.00 0.00 N ATOM 1104 CA ALA A 75 0.419 10.439 -1.763 1.00 0.00 C ATOM 1105 C ALA A 75 0.601 8.928 -1.855 1.00 0.00 C ATOM 1106 O ALA A 75 -0.358 8.192 -2.087 1.00 0.00 O ATOM 1107 CB ALA A 75 1.126 11.129 -2.921 1.00 0.00 C ATOM 0 H ALA A 75 1.819 11.422 -0.549 1.00 0.00 H new ATOM 0 HA ALA A 75 -0.648 10.654 -1.822 1.00 0.00 H new ATOM 0 HB1 ALA A 75 0.746 10.738 -3.865 1.00 0.00 H new ATOM 0 HB2 ALA A 75 0.941 12.202 -2.873 1.00 0.00 H new ATOM 0 HB3 ALA A 75 2.198 10.942 -2.856 1.00 0.00 H new ATOM 1113 N ALA A 76 1.835 8.472 -1.670 1.00 0.00 N ATOM 1114 CA ALA A 76 2.140 7.047 -1.731 1.00 0.00 C ATOM 1115 C ALA A 76 1.197 6.245 -0.840 1.00 0.00 C ATOM 1116 O ALA A 76 0.832 5.116 -1.164 1.00 0.00 O ATOM 1117 CB ALA A 76 3.587 6.801 -1.331 1.00 0.00 C ATOM 0 H ALA A 76 2.640 9.068 -1.477 1.00 0.00 H new ATOM 0 HA ALA A 76 1.997 6.712 -2.758 1.00 0.00 H new ATOM 0 HB1 ALA A 76 3.802 5.734 -1.381 1.00 0.00 H new ATOM 0 HB2 ALA A 76 4.249 7.336 -2.012 1.00 0.00 H new ATOM 0 HB3 ALA A 76 3.749 7.157 -0.313 1.00 0.00 H new ATOM 1123 N LYS A 77 0.809 6.836 0.285 1.00 0.00 N ATOM 1124 CA LYS A 77 -0.091 6.176 1.224 1.00 0.00 C ATOM 1125 C LYS A 77 -1.390 5.768 0.537 1.00 0.00 C ATOM 1126 O LYS A 77 -1.975 4.734 0.859 1.00 0.00 O ATOM 1127 CB LYS A 77 -0.395 7.101 2.405 1.00 0.00 C ATOM 1128 CG LYS A 77 -0.666 6.361 3.703 1.00 0.00 C ATOM 1129 CD LYS A 77 -0.040 7.071 4.892 1.00 0.00 C ATOM 1130 CE LYS A 77 -1.015 8.045 5.535 1.00 0.00 C ATOM 1131 NZ LYS A 77 -0.964 9.387 4.892 1.00 0.00 N ATOM 0 H LYS A 77 1.103 7.770 0.569 1.00 0.00 H new ATOM 0 HA LYS A 77 0.403 5.277 1.592 1.00 0.00 H new ATOM 0 HB2 LYS A 77 0.447 7.778 2.551 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -1.260 7.717 2.160 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -1.742 6.274 3.855 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -0.271 5.347 3.634 1.00 0.00 H new ATOM 0 HD2 LYS A 77 0.280 6.335 5.629 1.00 0.00 H new ATOM 0 HD3 LYS A 77 0.852 7.607 4.569 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -2.027 7.646 5.463 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -0.785 8.142 6.596 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -1.643 10.022 5.359 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -0.005 9.779 4.982 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -1.208 9.299 3.885 1.00 0.00 H new ATOM 1145 N HIS A 78 -1.835 6.586 -0.412 1.00 0.00 N ATOM 1146 CA HIS A 78 -3.064 6.309 -1.146 1.00 0.00 C ATOM 1147 C HIS A 78 -2.851 5.187 -2.159 1.00 0.00 C ATOM 1148 O HIS A 78 -3.669 4.273 -2.270 1.00 0.00 O ATOM 1149 CB HIS A 78 -3.553 7.570 -1.860 1.00 0.00 C ATOM 1150 CG HIS A 78 -4.944 7.449 -2.401 1.00 0.00 C ATOM 1151 ND1 HIS A 78 -6.027 8.100 -1.848 1.00 0.00 N ATOM 1152 CD2 HIS A 78 -5.426 6.751 -3.456 1.00 0.00 C ATOM 1153 CE1 HIS A 78 -7.115 7.804 -2.536 1.00 0.00 C ATOM 1154 NE2 HIS A 78 -6.777 6.988 -3.518 1.00 0.00 N ATOM 0 H HIS A 78 -1.362 7.446 -0.690 1.00 0.00 H new ATOM 0 HA HIS A 78 -3.821 5.990 -0.430 1.00 0.00 H new ATOM 0 HB2 HIS A 78 -3.513 8.409 -1.166 1.00 0.00 H new ATOM 0 HB3 HIS A 78 -2.872 7.801 -2.679 1.00 0.00 H new ATOM 0 HD2 HIS A 78 -4.854 6.124 -4.124 1.00 0.00 H new ATOM 0 HE1 HIS A 78 -8.111 8.167 -2.331 1.00 0.00 H new ATOM 0 HE2 HIS A 78 -7.416 6.597 -4.210 1.00 0.00 H new ATOM 1162 N LEU A 79 -1.748 5.263 -2.894 1.00 0.00 N ATOM 1163 CA LEU A 79 -1.427 4.255 -3.898 1.00 0.00 C ATOM 1164 C LEU A 79 -1.389 2.862 -3.279 1.00 0.00 C ATOM 1165 O LEU A 79 -1.899 1.901 -3.856 1.00 0.00 O ATOM 1166 CB LEU A 79 -0.081 4.569 -4.554 1.00 0.00 C ATOM 1167 CG LEU A 79 0.077 5.983 -5.116 1.00 0.00 C ATOM 1168 CD1 LEU A 79 1.398 6.118 -5.858 1.00 0.00 C ATOM 1169 CD2 LEU A 79 -1.088 6.328 -6.031 1.00 0.00 C ATOM 0 H LEU A 79 -1.060 6.012 -2.814 1.00 0.00 H new ATOM 0 HA LEU A 79 -2.208 4.275 -4.658 1.00 0.00 H new ATOM 0 HB2 LEU A 79 0.707 4.401 -3.820 1.00 0.00 H new ATOM 0 HB3 LEU A 79 0.081 3.857 -5.364 1.00 0.00 H new ATOM 0 HG LEU A 79 0.078 6.686 -4.283 1.00 0.00 H new ATOM 0 HD11 LEU A 79 1.493 7.130 -6.251 1.00 0.00 H new ATOM 0 HD12 LEU A 79 2.222 5.916 -5.174 1.00 0.00 H new ATOM 0 HD13 LEU A 79 1.427 5.405 -6.682 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -0.958 7.337 -6.421 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -1.122 5.621 -6.859 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -2.020 6.274 -5.469 1.00 0.00 H new ATOM 1181 N ILE A 80 -0.785 2.761 -2.099 1.00 0.00 N ATOM 1182 CA ILE A 80 -0.685 1.486 -1.400 1.00 0.00 C ATOM 1183 C ILE A 80 -2.064 0.957 -1.021 1.00 0.00 C ATOM 1184 O ILE A 80 -2.285 -0.254 -0.973 1.00 0.00 O ATOM 1185 CB ILE A 80 0.173 1.607 -0.127 1.00 0.00 C ATOM 1186 CG1 ILE A 80 1.555 2.168 -0.470 1.00 0.00 C ATOM 1187 CG2 ILE A 80 0.300 0.255 0.558 1.00 0.00 C ATOM 1188 CD1 ILE A 80 2.121 3.077 0.600 1.00 0.00 C ATOM 0 H ILE A 80 -0.358 3.546 -1.608 1.00 0.00 H new ATOM 0 HA ILE A 80 -0.206 0.787 -2.086 1.00 0.00 H new ATOM 0 HB ILE A 80 -0.319 2.295 0.561 1.00 0.00 H new ATOM 0 HG12 ILE A 80 2.244 1.340 -0.633 1.00 0.00 H new ATOM 0 HG13 ILE A 80 1.492 2.720 -1.408 1.00 0.00 H new ATOM 0 HG21 ILE A 80 0.909 0.358 1.456 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -0.690 -0.109 0.831 1.00 0.00 H new ATOM 0 HG23 ILE A 80 0.772 -0.454 -0.122 1.00 0.00 H new ATOM 0 HD11 ILE A 80 3.102 3.438 0.290 1.00 0.00 H new ATOM 0 HD12 ILE A 80 1.453 3.925 0.748 1.00 0.00 H new ATOM 0 HD13 ILE A 80 2.217 2.524 1.534 1.00 0.00 H new ATOM 1200 N LEU A 81 -2.989 1.872 -0.755 1.00 0.00 N ATOM 1201 CA LEU A 81 -4.350 1.498 -0.381 1.00 0.00 C ATOM 1202 C LEU A 81 -5.124 0.982 -1.589 1.00 0.00 C ATOM 1203 O LEU A 81 -5.947 0.075 -1.469 1.00 0.00 O ATOM 1204 CB LEU A 81 -5.078 2.695 0.232 1.00 0.00 C ATOM 1205 CG LEU A 81 -4.856 2.923 1.728 1.00 0.00 C ATOM 1206 CD1 LEU A 81 -5.186 4.358 2.105 1.00 0.00 C ATOM 1207 CD2 LEU A 81 -5.694 1.949 2.545 1.00 0.00 C ATOM 0 H LEU A 81 -2.823 2.878 -0.791 1.00 0.00 H new ATOM 0 HA LEU A 81 -4.291 0.699 0.358 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -4.770 3.594 -0.302 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -6.147 2.572 0.059 1.00 0.00 H new ATOM 0 HG LEU A 81 -3.804 2.744 1.951 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -5.022 4.501 3.173 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -4.544 5.038 1.545 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -6.229 4.566 1.867 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -5.524 2.125 3.607 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -6.750 2.097 2.317 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -5.409 0.927 2.296 1.00 0.00 H new ATOM 1219 N GLU A 82 -4.851 1.562 -2.753 1.00 0.00 N ATOM 1220 CA GLU A 82 -5.520 1.159 -3.984 1.00 0.00 C ATOM 1221 C GLU A 82 -5.388 -0.344 -4.208 1.00 0.00 C ATOM 1222 O GLU A 82 -6.229 -0.964 -4.859 1.00 0.00 O ATOM 1223 CB GLU A 82 -4.940 1.918 -5.180 1.00 0.00 C ATOM 1224 CG GLU A 82 -5.152 3.420 -5.108 1.00 0.00 C ATOM 1225 CD GLU A 82 -5.601 4.010 -6.431 1.00 0.00 C ATOM 1226 OE1 GLU A 82 -4.902 3.795 -7.444 1.00 0.00 O ATOM 1227 OE2 GLU A 82 -6.651 4.685 -6.453 1.00 0.00 O ATOM 0 H GLU A 82 -4.171 2.313 -2.869 1.00 0.00 H new ATOM 0 HA GLU A 82 -6.578 1.403 -3.888 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -3.871 1.713 -5.246 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -5.394 1.539 -6.095 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -5.897 3.642 -4.344 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -4.224 3.900 -4.797 1.00 0.00 H new ATOM 1234 N LYS A 83 -4.323 -0.925 -3.665 1.00 0.00 N ATOM 1235 CA LYS A 83 -4.077 -2.356 -3.804 1.00 0.00 C ATOM 1236 C LYS A 83 -4.804 -3.141 -2.716 1.00 0.00 C ATOM 1237 O LYS A 83 -5.330 -4.226 -2.966 1.00 0.00 O ATOM 1238 CB LYS A 83 -2.576 -2.645 -3.740 1.00 0.00 C ATOM 1239 CG LYS A 83 -1.899 -2.649 -5.099 1.00 0.00 C ATOM 1240 CD LYS A 83 -1.864 -1.257 -5.708 1.00 0.00 C ATOM 1241 CE LYS A 83 -0.461 -0.881 -6.159 1.00 0.00 C ATOM 1242 NZ LYS A 83 -0.259 -1.133 -7.614 1.00 0.00 N ATOM 0 H LYS A 83 -3.616 -0.427 -3.124 1.00 0.00 H new ATOM 0 HA LYS A 83 -4.460 -2.673 -4.774 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -2.097 -1.898 -3.107 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -2.421 -3.613 -3.263 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -0.882 -3.029 -4.999 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -2.428 -3.327 -5.768 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -2.545 -1.214 -6.558 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -2.220 -0.530 -4.978 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -0.281 0.172 -5.945 1.00 0.00 H new ATOM 0 HE3 LYS A 83 0.270 -1.452 -5.587 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 0.709 -0.864 -7.882 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -0.406 -2.143 -7.815 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -0.939 -0.568 -8.162 1.00 0.00 H new ATOM 1256 N VAL A 84 -4.829 -2.585 -1.509 1.00 0.00 N ATOM 1257 CA VAL A 84 -5.494 -3.233 -0.384 1.00 0.00 C ATOM 1258 C VAL A 84 -6.980 -3.427 -0.662 1.00 0.00 C ATOM 1259 O VAL A 84 -7.579 -4.413 -0.228 1.00 0.00 O ATOM 1260 CB VAL A 84 -5.329 -2.415 0.911 1.00 0.00 C ATOM 1261 CG1 VAL A 84 -5.979 -3.134 2.083 1.00 0.00 C ATOM 1262 CG2 VAL A 84 -3.856 -2.149 1.188 1.00 0.00 C ATOM 0 H VAL A 84 -4.397 -1.689 -1.285 1.00 0.00 H new ATOM 0 HA VAL A 84 -5.021 -4.206 -0.254 1.00 0.00 H new ATOM 0 HB VAL A 84 -5.830 -1.456 0.781 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -5.852 -2.541 2.989 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -7.042 -3.269 1.883 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -5.509 -4.108 2.218 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -3.757 -1.570 2.106 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -3.330 -3.097 1.298 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -3.425 -1.589 0.358 1.00 0.00 H new ATOM 1272 N SER A 85 -7.571 -2.483 -1.388 1.00 0.00 N ATOM 1273 CA SER A 85 -8.988 -2.549 -1.721 1.00 0.00 C ATOM 1274 C SER A 85 -9.239 -3.569 -2.828 1.00 0.00 C ATOM 1275 O SER A 85 -10.315 -4.162 -2.907 1.00 0.00 O ATOM 1276 CB SER A 85 -9.497 -1.173 -2.154 1.00 0.00 C ATOM 1277 OG SER A 85 -10.160 -0.516 -1.088 1.00 0.00 O ATOM 0 H SER A 85 -7.089 -1.663 -1.757 1.00 0.00 H new ATOM 0 HA SER A 85 -9.531 -2.865 -0.830 1.00 0.00 H new ATOM 0 HB2 SER A 85 -8.661 -0.564 -2.497 1.00 0.00 H new ATOM 0 HB3 SER A 85 -10.178 -1.283 -2.998 1.00 0.00 H new ATOM 0 HG SER A 85 -10.474 0.362 -1.390 1.00 0.00 H new ATOM 1283 N GLU A 86 -8.239 -3.765 -3.681 1.00 0.00 N ATOM 1284 CA GLU A 86 -8.351 -4.711 -4.785 1.00 0.00 C ATOM 1285 C GLU A 86 -8.500 -6.138 -4.264 1.00 0.00 C ATOM 1286 O GLU A 86 -9.506 -6.801 -4.519 1.00 0.00 O ATOM 1287 CB GLU A 86 -7.126 -4.614 -5.696 1.00 0.00 C ATOM 1288 CG GLU A 86 -7.244 -3.537 -6.762 1.00 0.00 C ATOM 1289 CD GLU A 86 -6.574 -3.930 -8.064 1.00 0.00 C ATOM 1290 OE1 GLU A 86 -7.249 -4.544 -8.916 1.00 0.00 O ATOM 1291 OE2 GLU A 86 -5.376 -3.624 -8.231 1.00 0.00 O ATOM 0 H GLU A 86 -7.342 -3.282 -3.629 1.00 0.00 H new ATOM 0 HA GLU A 86 -9.242 -4.457 -5.359 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -6.245 -4.415 -5.086 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -6.967 -5.577 -6.181 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -8.298 -3.329 -6.948 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -6.797 -2.614 -6.392 1.00 0.00 H new ATOM 1298 N ASP A 87 -7.492 -6.603 -3.536 1.00 0.00 N ATOM 1299 CA ASP A 87 -7.510 -7.951 -2.979 1.00 0.00 C ATOM 1300 C ASP A 87 -8.647 -8.110 -1.975 1.00 0.00 C ATOM 1301 O ASP A 87 -9.143 -9.215 -1.755 1.00 0.00 O ATOM 1302 CB ASP A 87 -6.172 -8.266 -2.306 1.00 0.00 C ATOM 1303 CG ASP A 87 -5.870 -9.751 -2.286 1.00 0.00 C ATOM 1304 OD1 ASP A 87 -6.683 -10.514 -1.723 1.00 0.00 O ATOM 1305 OD2 ASP A 87 -4.822 -10.150 -2.833 1.00 0.00 O ATOM 0 H ASP A 87 -6.652 -6.067 -3.317 1.00 0.00 H new ATOM 0 HA ASP A 87 -7.671 -8.653 -3.797 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -5.373 -7.743 -2.831 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -6.184 -7.887 -1.284 1.00 0.00 H new ATOM 1310 N GLU A 88 -9.055 -6.999 -1.370 1.00 0.00 N ATOM 1311 CA GLU A 88 -10.133 -7.016 -0.388 1.00 0.00 C ATOM 1312 C GLU A 88 -11.454 -7.418 -1.037 1.00 0.00 C ATOM 1313 O GLU A 88 -12.272 -8.107 -0.427 1.00 0.00 O ATOM 1314 CB GLU A 88 -10.274 -5.643 0.271 1.00 0.00 C ATOM 1315 CG GLU A 88 -11.689 -5.330 0.731 1.00 0.00 C ATOM 1316 CD GLU A 88 -11.801 -3.967 1.385 1.00 0.00 C ATOM 1317 OE1 GLU A 88 -11.630 -2.952 0.679 1.00 0.00 O ATOM 1318 OE2 GLU A 88 -12.062 -3.916 2.605 1.00 0.00 O ATOM 0 H GLU A 88 -8.656 -6.076 -1.542 1.00 0.00 H new ATOM 0 HA GLU A 88 -9.883 -7.754 0.375 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -9.602 -5.590 1.128 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -9.952 -4.876 -0.434 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -12.363 -5.375 -0.124 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -12.016 -6.095 1.435 1.00 0.00 H new