USER MOD reduce.3.24.130724 H: found=0, std=0, add=523, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 521 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 69 SER OG : rot -84:sc= 1.19 USER MOD Set 1.2: A 74 SER OG : rot 180:sc= 1.01 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 HIS : no HD1:sc= -0.0187 X(o=-0.019,f=-0.21) USER MOD Single : A 20 HIS : no HD1:sc= -4.31! C(o=-4.3!,f=-9.2!) USER MOD Single : A 24 CYS SG : rot 44:sc= 0.0673 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 SER OG : rot 180:sc= -1.03! USER MOD Single : A 35 SER OG : rot -57:sc= -1.55! USER MOD Single : A 38 GLN : amide:sc= -0.0777 X(o=-0.078,f=-0.078) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 GLN : amide:sc= -0.0087 X(o=-0.0087,f=-0.33) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 THR OG1 : rot 67:sc= 1.11 USER MOD Single : A 58 LYS NZ :NH3+ 170:sc= -0.248 (180deg=-0.484) USER MOD Single : A 60 CYS SG : rot 180:sc= -0.276 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 GLN : amide:sc= -2.05 K(o=-2.1,f=-5!) USER MOD Single : A 67 THR OG1 : rot 93:sc= -1.46! USER MOD Single : A 73 HIS : no HD1:sc= -1.05! C(o=-1!,f=-2.2!) USER MOD Single : A 76 GLN : amide:sc= -1.85 K(o=-1.8,f=-4.7!) USER MOD ----------------------------------------------------------------- ATOM 157 N ALA A 11 -6.680 -1.924 6.883 1.00 0.00 N ATOM 158 CA ALA A 11 -6.931 -0.652 6.226 1.00 0.00 C ATOM 159 C ALA A 11 -7.398 -0.871 4.790 1.00 0.00 C ATOM 160 O ALA A 11 -6.873 -1.729 4.080 1.00 0.00 O ATOM 161 CB ALA A 11 -5.681 0.216 6.255 1.00 0.00 C ATOM 0 HA ALA A 11 -7.723 -0.135 6.768 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -5.885 1.165 5.759 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -5.391 0.402 7.289 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -4.870 -0.297 5.738 1.00 0.00 H new ATOM 167 N THR A 12 -8.389 -0.094 4.370 1.00 0.00 N ATOM 168 CA THR A 12 -8.926 -0.201 3.019 1.00 0.00 C ATOM 169 C THR A 12 -8.691 1.093 2.248 1.00 0.00 C ATOM 170 O THR A 12 -8.911 2.186 2.772 1.00 0.00 O ATOM 171 CB THR A 12 -10.421 -0.523 3.060 1.00 0.00 C ATOM 172 OG1 THR A 12 -10.893 -0.565 4.394 1.00 0.00 O ATOM 173 CG2 THR A 12 -10.767 -1.843 2.408 1.00 0.00 C ATOM 0 H THR A 12 -8.838 0.618 4.946 1.00 0.00 H new ATOM 0 HA THR A 12 -8.408 -1.013 2.508 1.00 0.00 H new ATOM 0 HB THR A 12 -10.902 0.278 2.499 1.00 0.00 H new ATOM 0 HG1 THR A 12 -11.851 -0.771 4.396 1.00 0.00 H new ATOM 0 HG21 THR A 12 -11.842 -2.010 2.472 1.00 0.00 H new ATOM 0 HG22 THR A 12 -10.465 -1.822 1.361 1.00 0.00 H new ATOM 0 HG23 THR A 12 -10.244 -2.650 2.920 1.00 0.00 H new ATOM 181 N PHE A 13 -8.248 0.968 1.001 1.00 0.00 N ATOM 182 CA PHE A 13 -7.990 2.134 0.166 1.00 0.00 C ATOM 183 C PHE A 13 -8.767 2.047 -1.144 1.00 0.00 C ATOM 184 O PHE A 13 -8.344 1.378 -2.086 1.00 0.00 O ATOM 185 CB PHE A 13 -6.492 2.267 -0.127 1.00 0.00 C ATOM 186 CG PHE A 13 -6.164 3.437 -1.011 1.00 0.00 C ATOM 187 CD1 PHE A 13 -6.532 4.723 -0.646 1.00 0.00 C ATOM 188 CD2 PHE A 13 -5.496 3.251 -2.210 1.00 0.00 C ATOM 189 CE1 PHE A 13 -6.239 5.801 -1.460 1.00 0.00 C ATOM 190 CE2 PHE A 13 -5.198 4.324 -3.027 1.00 0.00 C ATOM 191 CZ PHE A 13 -5.571 5.601 -2.653 1.00 0.00 C ATOM 0 H PHE A 13 -8.061 0.073 0.548 1.00 0.00 H new ATOM 0 HA PHE A 13 -8.324 3.016 0.712 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -5.952 2.368 0.814 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -6.138 1.351 -0.601 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -7.054 4.884 0.286 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -5.205 2.255 -2.510 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -6.532 6.798 -1.164 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -4.674 4.165 -3.958 1.00 0.00 H new ATOM 0 HZ PHE A 13 -5.341 6.441 -3.292 1.00 0.00 H new ATOM 201 N SER A 14 -9.906 2.729 -1.199 1.00 0.00 N ATOM 202 CA SER A 14 -10.739 2.729 -2.396 1.00 0.00 C ATOM 203 C SER A 14 -10.030 3.436 -3.547 1.00 0.00 C ATOM 204 O SER A 14 -9.356 4.446 -3.346 1.00 0.00 O ATOM 205 CB SER A 14 -12.078 3.412 -2.112 1.00 0.00 C ATOM 206 OG SER A 14 -13.134 2.778 -2.812 1.00 0.00 O ATOM 0 H SER A 14 -10.273 3.288 -0.429 1.00 0.00 H new ATOM 0 HA SER A 14 -10.922 1.693 -2.683 1.00 0.00 H new ATOM 0 HB2 SER A 14 -12.282 3.388 -1.041 1.00 0.00 H new ATOM 0 HB3 SER A 14 -12.023 4.461 -2.403 1.00 0.00 H new ATOM 0 HG SER A 14 -13.979 3.233 -2.612 1.00 0.00 H new ATOM 212 N LEU A 15 -10.189 2.900 -4.753 1.00 0.00 N ATOM 213 CA LEU A 15 -9.565 3.483 -5.932 1.00 0.00 C ATOM 214 C LEU A 15 -10.499 4.495 -6.590 1.00 0.00 C ATOM 215 O LEU A 15 -10.056 5.525 -7.097 1.00 0.00 O ATOM 216 CB LEU A 15 -9.183 2.385 -6.929 1.00 0.00 C ATOM 217 CG LEU A 15 -7.697 2.326 -7.287 1.00 0.00 C ATOM 218 CD1 LEU A 15 -7.389 1.065 -8.081 1.00 0.00 C ATOM 219 CD2 LEU A 15 -7.291 3.563 -8.071 1.00 0.00 C ATOM 0 H LEU A 15 -10.744 2.064 -4.938 1.00 0.00 H new ATOM 0 HA LEU A 15 -8.659 4.003 -5.620 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -9.481 1.421 -6.517 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -9.756 2.531 -7.844 1.00 0.00 H new ATOM 0 HG LEU A 15 -7.120 2.299 -6.363 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -6.327 1.040 -8.327 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -7.644 0.189 -7.485 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -7.974 1.062 -9.000 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -6.231 3.506 -8.318 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -7.875 3.620 -8.990 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -7.475 4.452 -7.469 1.00 0.00 H new ATOM 231 N GLY A 16 -11.794 4.193 -6.577 1.00 0.00 N ATOM 232 CA GLY A 16 -12.770 5.088 -7.173 1.00 0.00 C ATOM 233 C GLY A 16 -13.078 4.736 -8.616 1.00 0.00 C ATOM 234 O GLY A 16 -14.082 4.084 -8.903 1.00 0.00 O ATOM 0 H GLY A 16 -12.185 3.346 -6.165 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -13.691 5.056 -6.590 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -12.397 6.111 -7.124 1.00 0.00 H new ATOM 238 N LYS A 17 -12.212 5.171 -9.526 1.00 0.00 N ATOM 239 CA LYS A 17 -12.397 4.901 -10.947 1.00 0.00 C ATOM 240 C LYS A 17 -11.166 5.323 -11.745 1.00 0.00 C ATOM 241 O LYS A 17 -11.281 5.873 -12.841 1.00 0.00 O ATOM 242 CB LYS A 17 -13.632 5.633 -11.467 1.00 0.00 C ATOM 243 CG LYS A 17 -14.082 5.169 -12.842 1.00 0.00 C ATOM 244 CD LYS A 17 -14.828 6.267 -13.583 1.00 0.00 C ATOM 245 CE LYS A 17 -16.261 6.394 -13.093 1.00 0.00 C ATOM 246 NZ LYS A 17 -17.235 5.834 -14.071 1.00 0.00 N ATOM 0 H LYS A 17 -11.376 5.712 -9.305 1.00 0.00 H new ATOM 0 HA LYS A 17 -12.539 3.828 -11.074 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -14.450 5.494 -10.760 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -13.421 6.702 -11.505 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -13.214 4.860 -13.425 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -14.726 4.295 -12.740 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -14.310 7.216 -13.447 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -14.825 6.053 -14.652 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -16.366 5.876 -12.140 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -16.491 7.444 -12.912 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -18.200 5.940 -13.699 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -17.153 6.345 -14.973 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -17.032 4.826 -14.224 1.00 0.00 H new ATOM 260 N HIS A 18 -9.992 5.062 -11.184 1.00 0.00 N ATOM 261 CA HIS A 18 -8.734 5.414 -11.834 1.00 0.00 C ATOM 262 C HIS A 18 -8.135 4.201 -12.545 1.00 0.00 C ATOM 263 O HIS A 18 -8.548 3.067 -12.301 1.00 0.00 O ATOM 264 CB HIS A 18 -7.751 5.961 -10.796 1.00 0.00 C ATOM 265 CG HIS A 18 -8.273 7.151 -10.055 1.00 0.00 C ATOM 266 ND1 HIS A 18 -9.282 7.955 -10.538 1.00 0.00 N ATOM 267 CD2 HIS A 18 -7.923 7.672 -8.855 1.00 0.00 C ATOM 268 CE1 HIS A 18 -9.532 8.919 -9.671 1.00 0.00 C ATOM 269 NE2 HIS A 18 -8.722 8.769 -8.640 1.00 0.00 N ATOM 0 H HIS A 18 -9.884 4.607 -10.278 1.00 0.00 H new ATOM 0 HA HIS A 18 -8.929 6.183 -12.581 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -7.512 5.173 -10.082 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -6.820 6.232 -11.295 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -7.159 7.296 -8.191 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -10.272 9.697 -9.786 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -8.694 9.370 -7.817 1.00 0.00 H new ATOM 277 N PRO A 19 -7.150 4.417 -13.439 1.00 0.00 N ATOM 278 CA PRO A 19 -6.507 3.323 -14.176 1.00 0.00 C ATOM 279 C PRO A 19 -5.702 2.414 -13.257 1.00 0.00 C ATOM 280 O PRO A 19 -5.675 1.200 -13.443 1.00 0.00 O ATOM 281 CB PRO A 19 -5.585 4.045 -15.162 1.00 0.00 C ATOM 282 CG PRO A 19 -5.323 5.369 -14.536 1.00 0.00 C ATOM 283 CD PRO A 19 -6.582 5.731 -13.799 1.00 0.00 C ATOM 0 HA PRO A 19 -7.234 2.672 -14.661 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -4.659 3.490 -15.317 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -6.058 4.155 -16.138 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -4.473 5.318 -13.856 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -5.083 6.118 -15.291 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -6.373 6.335 -12.916 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -7.264 6.307 -14.425 1.00 0.00 H new ATOM 291 N HIS A 20 -5.056 3.021 -12.263 1.00 0.00 N ATOM 292 CA HIS A 20 -4.245 2.294 -11.288 1.00 0.00 C ATOM 293 C HIS A 20 -3.496 3.278 -10.394 1.00 0.00 C ATOM 294 O HIS A 20 -3.734 4.484 -10.454 1.00 0.00 O ATOM 295 CB HIS A 20 -3.269 1.336 -11.983 1.00 0.00 C ATOM 296 CG HIS A 20 -2.057 2.006 -12.538 1.00 0.00 C ATOM 297 ND1 HIS A 20 -1.096 2.577 -11.740 1.00 0.00 N ATOM 298 CD2 HIS A 20 -1.653 2.199 -13.814 1.00 0.00 C ATOM 299 CE1 HIS A 20 -0.152 3.095 -12.494 1.00 0.00 C ATOM 300 NE2 HIS A 20 -0.463 2.880 -13.759 1.00 0.00 N ATOM 0 H HIS A 20 -5.080 4.029 -12.111 1.00 0.00 H new ATOM 0 HA HIS A 20 -4.910 1.693 -10.668 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -2.956 0.572 -11.271 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -3.791 0.824 -12.791 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -2.169 1.878 -14.707 1.00 0.00 H new ATOM 0 HE1 HIS A 20 0.729 3.609 -12.139 1.00 0.00 H new ATOM 0 HE2 HIS A 20 0.091 3.172 -14.564 1.00 0.00 H new ATOM 308 N VAL A 21 -2.595 2.766 -9.565 1.00 0.00 N ATOM 309 CA VAL A 21 -1.827 3.623 -8.662 1.00 0.00 C ATOM 310 C VAL A 21 -0.354 3.247 -8.625 1.00 0.00 C ATOM 311 O VAL A 21 0.011 2.089 -8.821 1.00 0.00 O ATOM 312 CB VAL A 21 -2.359 3.554 -7.221 1.00 0.00 C ATOM 313 CG1 VAL A 21 -3.592 4.427 -7.054 1.00 0.00 C ATOM 314 CG2 VAL A 21 -2.649 2.111 -6.839 1.00 0.00 C ATOM 0 H VAL A 21 -2.377 1.772 -9.497 1.00 0.00 H new ATOM 0 HA VAL A 21 -1.939 4.632 -9.058 1.00 0.00 H new ATOM 0 HB VAL A 21 -1.593 3.939 -6.548 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -3.948 4.360 -6.026 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -3.339 5.462 -7.284 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -4.374 4.086 -7.732 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -3.025 2.074 -5.817 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -3.397 1.699 -7.516 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -1.733 1.525 -6.910 1.00 0.00 H new ATOM 324 N GLU A 22 0.482 4.238 -8.342 1.00 0.00 N ATOM 325 CA GLU A 22 1.909 4.038 -8.240 1.00 0.00 C ATOM 326 C GLU A 22 2.287 3.808 -6.780 1.00 0.00 C ATOM 327 O GLU A 22 1.636 4.338 -5.881 1.00 0.00 O ATOM 328 CB GLU A 22 2.633 5.267 -8.780 1.00 0.00 C ATOM 329 CG GLU A 22 2.674 5.339 -10.298 1.00 0.00 C ATOM 330 CD GLU A 22 1.870 6.502 -10.854 1.00 0.00 C ATOM 331 OE1 GLU A 22 1.493 7.396 -10.068 1.00 0.00 O ATOM 332 OE2 GLU A 22 1.620 6.519 -12.079 1.00 0.00 O ATOM 0 H GLU A 22 0.183 5.199 -8.178 1.00 0.00 H new ATOM 0 HA GLU A 22 2.201 3.166 -8.825 1.00 0.00 H new ATOM 0 HB2 GLU A 22 2.144 6.163 -8.396 1.00 0.00 H new ATOM 0 HB3 GLU A 22 3.654 5.273 -8.398 1.00 0.00 H new ATOM 0 HG2 GLU A 22 3.710 5.430 -10.625 1.00 0.00 H new ATOM 0 HG3 GLU A 22 2.290 4.407 -10.712 1.00 0.00 H new ATOM 339 N LEU A 23 3.324 3.010 -6.544 1.00 0.00 N ATOM 340 CA LEU A 23 3.767 2.711 -5.181 1.00 0.00 C ATOM 341 C LEU A 23 3.720 3.950 -4.289 1.00 0.00 C ATOM 342 O LEU A 23 3.198 3.904 -3.175 1.00 0.00 O ATOM 343 CB LEU A 23 5.183 2.138 -5.199 1.00 0.00 C ATOM 344 CG LEU A 23 5.261 0.622 -5.380 1.00 0.00 C ATOM 345 CD1 LEU A 23 5.733 0.274 -6.783 1.00 0.00 C ATOM 346 CD2 LEU A 23 6.180 0.006 -4.338 1.00 0.00 C ATOM 0 H LEU A 23 3.874 2.559 -7.275 1.00 0.00 H new ATOM 0 HA LEU A 23 3.082 1.972 -4.767 1.00 0.00 H new ATOM 0 HB2 LEU A 23 5.742 2.615 -6.004 1.00 0.00 H new ATOM 0 HB3 LEU A 23 5.679 2.404 -4.266 1.00 0.00 H new ATOM 0 HG LEU A 23 4.262 0.209 -5.243 1.00 0.00 H new ATOM 0 HD11 LEU A 23 5.782 -0.809 -6.892 1.00 0.00 H new ATOM 0 HD12 LEU A 23 5.034 0.681 -7.514 1.00 0.00 H new ATOM 0 HD13 LEU A 23 6.722 0.701 -6.950 1.00 0.00 H new ATOM 0 HD21 LEU A 23 6.223 -1.073 -4.483 1.00 0.00 H new ATOM 0 HD22 LEU A 23 7.181 0.426 -4.442 1.00 0.00 H new ATOM 0 HD23 LEU A 23 5.797 0.223 -3.341 1.00 0.00 H new ATOM 358 N CYS A 24 4.264 5.057 -4.785 1.00 0.00 N ATOM 359 CA CYS A 24 4.276 6.303 -4.028 1.00 0.00 C ATOM 360 C CYS A 24 2.855 6.792 -3.763 1.00 0.00 C ATOM 361 O CYS A 24 2.573 7.362 -2.709 1.00 0.00 O ATOM 362 CB CYS A 24 5.063 7.378 -4.780 1.00 0.00 C ATOM 363 SG CYS A 24 5.956 8.525 -3.705 1.00 0.00 S ATOM 0 H CYS A 24 4.701 5.116 -5.705 1.00 0.00 H new ATOM 0 HA CYS A 24 4.762 6.110 -3.071 1.00 0.00 H new ATOM 0 HB2 CYS A 24 5.775 6.892 -5.447 1.00 0.00 H new ATOM 0 HB3 CYS A 24 4.375 7.945 -5.407 1.00 0.00 H new ATOM 0 HG CYS A 24 6.546 7.860 -2.756 1.00 0.00 H new ATOM 369 N ASP A 25 1.959 6.558 -4.720 1.00 0.00 N ATOM 370 CA ASP A 25 0.567 6.969 -4.579 1.00 0.00 C ATOM 371 C ASP A 25 -0.097 6.213 -3.438 1.00 0.00 C ATOM 372 O ASP A 25 -0.535 6.807 -2.453 1.00 0.00 O ATOM 373 CB ASP A 25 -0.205 6.713 -5.877 1.00 0.00 C ATOM 374 CG ASP A 25 0.438 7.379 -7.078 1.00 0.00 C ATOM 375 OD1 ASP A 25 1.517 7.987 -6.915 1.00 0.00 O ATOM 376 OD2 ASP A 25 -0.138 7.292 -8.183 1.00 0.00 O ATOM 0 H ASP A 25 2.173 6.087 -5.599 1.00 0.00 H new ATOM 0 HA ASP A 25 0.551 8.037 -4.360 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -0.268 5.639 -6.052 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -1.226 7.079 -5.767 1.00 0.00 H new ATOM 381 N LEU A 26 -0.164 4.895 -3.582 1.00 0.00 N ATOM 382 CA LEU A 26 -0.770 4.039 -2.571 1.00 0.00 C ATOM 383 C LEU A 26 -0.205 4.336 -1.190 1.00 0.00 C ATOM 384 O LEU A 26 -0.947 4.446 -0.219 1.00 0.00 O ATOM 385 CB LEU A 26 -0.531 2.569 -2.918 1.00 0.00 C ATOM 386 CG LEU A 26 -1.646 1.611 -2.498 1.00 0.00 C ATOM 387 CD1 LEU A 26 -2.656 1.462 -3.619 1.00 0.00 C ATOM 388 CD2 LEU A 26 -1.070 0.256 -2.117 1.00 0.00 C ATOM 0 H LEU A 26 0.196 4.394 -4.394 1.00 0.00 H new ATOM 0 HA LEU A 26 -1.841 4.242 -2.556 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -0.389 2.485 -3.995 1.00 0.00 H new ATOM 0 HB3 LEU A 26 0.398 2.248 -2.448 1.00 0.00 H new ATOM 0 HG LEU A 26 -2.151 2.025 -1.625 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -3.446 0.777 -3.309 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -3.089 2.435 -3.850 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -2.160 1.066 -4.505 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -1.878 -0.413 -1.821 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -0.543 -0.168 -2.971 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -0.376 0.377 -1.285 1.00 0.00 H new ATOM 400 N LEU A 27 1.111 4.450 -1.110 1.00 0.00 N ATOM 401 CA LEU A 27 1.779 4.717 0.156 1.00 0.00 C ATOM 402 C LEU A 27 1.454 6.110 0.689 1.00 0.00 C ATOM 403 O LEU A 27 0.930 6.253 1.793 1.00 0.00 O ATOM 404 CB LEU A 27 3.291 4.555 -0.011 1.00 0.00 C ATOM 405 CG LEU A 27 3.742 3.157 -0.434 1.00 0.00 C ATOM 406 CD1 LEU A 27 5.035 3.230 -1.229 1.00 0.00 C ATOM 407 CD2 LEU A 27 3.911 2.259 0.784 1.00 0.00 C ATOM 0 H LEU A 27 1.740 4.362 -1.908 1.00 0.00 H new ATOM 0 HA LEU A 27 1.412 3.995 0.885 1.00 0.00 H new ATOM 0 HB2 LEU A 27 3.640 5.274 -0.752 1.00 0.00 H new ATOM 0 HB3 LEU A 27 3.776 4.808 0.932 1.00 0.00 H new ATOM 0 HG LEU A 27 2.972 2.726 -1.073 1.00 0.00 H new ATOM 0 HD11 LEU A 27 5.340 2.225 -1.521 1.00 0.00 H new ATOM 0 HD12 LEU A 27 4.880 3.836 -2.122 1.00 0.00 H new ATOM 0 HD13 LEU A 27 5.814 3.682 -0.615 1.00 0.00 H new ATOM 0 HD21 LEU A 27 4.232 1.268 0.464 1.00 0.00 H new ATOM 0 HD22 LEU A 27 4.661 2.686 1.450 1.00 0.00 H new ATOM 0 HD23 LEU A 27 2.961 2.179 1.312 1.00 0.00 H new ATOM 419 N LYS A 28 1.780 7.134 -0.090 1.00 0.00 N ATOM 420 CA LYS A 28 1.534 8.516 0.318 1.00 0.00 C ATOM 421 C LYS A 28 0.065 8.759 0.656 1.00 0.00 C ATOM 422 O LYS A 28 -0.264 9.183 1.764 1.00 0.00 O ATOM 423 CB LYS A 28 1.975 9.480 -0.787 1.00 0.00 C ATOM 424 CG LYS A 28 2.211 10.900 -0.297 1.00 0.00 C ATOM 425 CD LYS A 28 1.029 11.805 -0.611 1.00 0.00 C ATOM 426 CE LYS A 28 0.136 11.999 0.604 1.00 0.00 C ATOM 427 NZ LYS A 28 -0.302 13.415 0.755 1.00 0.00 N ATOM 0 H LYS A 28 2.215 7.036 -1.007 1.00 0.00 H new ATOM 0 HA LYS A 28 2.119 8.697 1.220 1.00 0.00 H new ATOM 0 HB2 LYS A 28 2.892 9.104 -1.241 1.00 0.00 H new ATOM 0 HB3 LYS A 28 1.215 9.496 -1.569 1.00 0.00 H new ATOM 0 HG2 LYS A 28 2.386 10.890 0.779 1.00 0.00 H new ATOM 0 HG3 LYS A 28 3.111 11.301 -0.763 1.00 0.00 H new ATOM 0 HD2 LYS A 28 1.392 12.773 -0.955 1.00 0.00 H new ATOM 0 HD3 LYS A 28 0.447 11.375 -1.426 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -0.740 11.356 0.516 1.00 0.00 H new ATOM 0 HE3 LYS A 28 0.672 11.688 1.501 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -0.909 13.503 1.595 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 0.532 14.027 0.865 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -0.836 13.705 -0.089 1.00 0.00 H new ATOM 441 N LEU A 29 -0.813 8.514 -0.311 1.00 0.00 N ATOM 442 CA LEU A 29 -2.245 8.734 -0.123 1.00 0.00 C ATOM 443 C LEU A 29 -2.792 8.008 1.108 1.00 0.00 C ATOM 444 O LEU A 29 -3.557 8.586 1.882 1.00 0.00 O ATOM 445 CB LEU A 29 -3.018 8.308 -1.374 1.00 0.00 C ATOM 446 CG LEU A 29 -3.858 9.411 -2.019 1.00 0.00 C ATOM 447 CD1 LEU A 29 -4.001 9.171 -3.514 1.00 0.00 C ATOM 448 CD2 LEU A 29 -5.225 9.494 -1.356 1.00 0.00 C ATOM 0 H LEU A 29 -0.559 8.163 -1.234 1.00 0.00 H new ATOM 0 HA LEU A 29 -2.384 9.802 0.044 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -2.308 7.934 -2.112 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -3.674 7.478 -1.113 1.00 0.00 H new ATOM 0 HG LEU A 29 -3.347 10.363 -1.874 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -4.602 9.967 -3.954 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -3.014 9.163 -3.977 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -4.489 8.211 -3.683 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -5.810 10.284 -1.827 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -5.743 8.542 -1.470 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -5.102 9.716 -0.296 1.00 0.00 H new ATOM 460 N GLU A 30 -2.419 6.743 1.285 1.00 0.00 N ATOM 461 CA GLU A 30 -2.907 5.965 2.425 1.00 0.00 C ATOM 462 C GLU A 30 -2.266 6.411 3.736 1.00 0.00 C ATOM 463 O GLU A 30 -2.753 6.067 4.813 1.00 0.00 O ATOM 464 CB GLU A 30 -2.658 4.472 2.215 1.00 0.00 C ATOM 465 CG GLU A 30 -3.898 3.700 1.790 1.00 0.00 C ATOM 466 CD GLU A 30 -4.845 3.442 2.946 1.00 0.00 C ATOM 467 OE1 GLU A 30 -4.360 3.135 4.055 1.00 0.00 O ATOM 468 OE2 GLU A 30 -6.072 3.550 2.743 1.00 0.00 O ATOM 0 H GLU A 30 -1.788 6.238 0.663 1.00 0.00 H new ATOM 0 HA GLU A 30 -3.980 6.144 2.492 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -1.884 4.345 1.458 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -2.273 4.043 3.140 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -4.421 4.258 1.013 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -3.597 2.749 1.351 1.00 0.00 H new ATOM 475 N GLY A 31 -1.185 7.182 3.655 1.00 0.00 N ATOM 476 CA GLY A 31 -0.532 7.653 4.863 1.00 0.00 C ATOM 477 C GLY A 31 0.644 6.791 5.286 1.00 0.00 C ATOM 478 O GLY A 31 1.004 6.766 6.463 1.00 0.00 O ATOM 0 H GLY A 31 -0.753 7.487 2.783 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -0.186 8.675 4.706 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -1.261 7.684 5.673 1.00 0.00 H new ATOM 482 N TRP A 32 1.255 6.095 4.333 1.00 0.00 N ATOM 483 CA TRP A 32 2.405 5.247 4.636 1.00 0.00 C ATOM 484 C TRP A 32 3.631 6.108 4.903 1.00 0.00 C ATOM 485 O TRP A 32 4.227 6.048 5.979 1.00 0.00 O ATOM 486 CB TRP A 32 2.698 4.286 3.482 1.00 0.00 C ATOM 487 CG TRP A 32 1.585 3.325 3.194 1.00 0.00 C ATOM 488 CD1 TRP A 32 0.274 3.636 2.981 1.00 0.00 C ATOM 489 CD2 TRP A 32 1.684 1.899 3.075 1.00 0.00 C ATOM 490 NE1 TRP A 32 -0.446 2.494 2.736 1.00 0.00 N ATOM 491 CE2 TRP A 32 0.394 1.418 2.791 1.00 0.00 C ATOM 492 CE3 TRP A 32 2.733 0.977 3.181 1.00 0.00 C ATOM 493 CZ2 TRP A 32 0.124 0.068 2.610 1.00 0.00 C ATOM 494 CZ3 TRP A 32 2.455 -0.366 2.999 1.00 0.00 C ATOM 495 CH2 TRP A 32 1.160 -0.805 2.719 1.00 0.00 C ATOM 0 H TRP A 32 0.977 6.100 3.352 1.00 0.00 H new ATOM 0 HA TRP A 32 2.168 4.661 5.524 1.00 0.00 H new ATOM 0 HB2 TRP A 32 2.906 4.866 2.583 1.00 0.00 H new ATOM 0 HB3 TRP A 32 3.601 3.722 3.713 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -0.137 4.635 3.002 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -1.447 2.455 2.544 1.00 0.00 H new ATOM 0 HE3 TRP A 32 3.738 1.307 3.400 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -0.876 -0.277 2.390 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 3.255 -1.088 3.075 1.00 0.00 H new ATOM 0 HH2 TRP A 32 0.977 -1.861 2.586 1.00 0.00 H new ATOM 506 N SER A 33 3.994 6.916 3.914 1.00 0.00 N ATOM 507 CA SER A 33 5.144 7.802 4.030 1.00 0.00 C ATOM 508 C SER A 33 4.690 9.245 4.213 1.00 0.00 C ATOM 509 O SER A 33 3.805 9.722 3.503 1.00 0.00 O ATOM 510 CB SER A 33 6.032 7.688 2.790 1.00 0.00 C ATOM 511 OG SER A 33 7.372 8.048 3.083 1.00 0.00 O ATOM 0 H SER A 33 3.506 6.975 3.020 1.00 0.00 H new ATOM 0 HA SER A 33 5.720 7.502 4.905 1.00 0.00 H new ATOM 0 HB2 SER A 33 6.002 6.667 2.411 1.00 0.00 H new ATOM 0 HB3 SER A 33 5.644 8.332 2.001 1.00 0.00 H new ATOM 0 HG SER A 33 7.918 7.964 2.273 1.00 0.00 H new ATOM 517 N GLU A 34 5.299 9.934 5.171 1.00 0.00 N ATOM 518 CA GLU A 34 4.951 11.322 5.443 1.00 0.00 C ATOM 519 C GLU A 34 5.298 12.206 4.250 1.00 0.00 C ATOM 520 O GLU A 34 4.597 13.173 3.952 1.00 0.00 O ATOM 521 CB GLU A 34 5.699 11.808 6.685 1.00 0.00 C ATOM 522 CG GLU A 34 4.939 12.842 7.497 1.00 0.00 C ATOM 523 CD GLU A 34 5.862 13.793 8.232 1.00 0.00 C ATOM 524 OE1 GLU A 34 6.964 13.361 8.630 1.00 0.00 O ATOM 525 OE2 GLU A 34 5.484 14.971 8.410 1.00 0.00 O ATOM 0 H GLU A 34 6.033 9.556 5.770 1.00 0.00 H new ATOM 0 HA GLU A 34 3.877 11.384 5.619 1.00 0.00 H new ATOM 0 HB2 GLU A 34 5.920 10.952 7.322 1.00 0.00 H new ATOM 0 HB3 GLU A 34 6.655 12.233 6.378 1.00 0.00 H new ATOM 0 HG2 GLU A 34 4.287 13.412 6.835 1.00 0.00 H new ATOM 0 HG3 GLU A 34 4.297 12.334 8.217 1.00 0.00 H new ATOM 532 N SER A 35 6.377 11.853 3.565 1.00 0.00 N ATOM 533 CA SER A 35 6.822 12.595 2.393 1.00 0.00 C ATOM 534 C SER A 35 6.515 11.823 1.118 1.00 0.00 C ATOM 535 O SER A 35 5.959 12.366 0.163 1.00 0.00 O ATOM 536 CB SER A 35 8.323 12.871 2.481 1.00 0.00 C ATOM 537 OG SER A 35 9.069 11.691 2.244 1.00 0.00 O ATOM 0 H SER A 35 6.963 11.053 3.802 1.00 0.00 H new ATOM 0 HA SER A 35 6.284 13.543 2.366 1.00 0.00 H new ATOM 0 HB2 SER A 35 8.600 13.633 1.753 1.00 0.00 H new ATOM 0 HB3 SER A 35 8.567 13.268 3.466 1.00 0.00 H new ATOM 0 HG SER A 35 8.800 11.000 2.885 1.00 0.00 H new ATOM 543 N GLY A 36 6.894 10.549 1.114 1.00 0.00 N ATOM 544 CA GLY A 36 6.672 9.703 -0.042 1.00 0.00 C ATOM 545 C GLY A 36 7.905 8.897 -0.393 1.00 0.00 C ATOM 546 O GLY A 36 7.805 7.770 -0.879 1.00 0.00 O ATOM 0 H GLY A 36 7.354 10.086 1.898 1.00 0.00 H new ATOM 0 HA2 GLY A 36 5.840 9.027 0.156 1.00 0.00 H new ATOM 0 HA3 GLY A 36 6.386 10.319 -0.894 1.00 0.00 H new ATOM 550 N ALA A 37 9.076 9.479 -0.142 1.00 0.00 N ATOM 551 CA ALA A 37 10.340 8.811 -0.432 1.00 0.00 C ATOM 552 C ALA A 37 11.397 9.096 0.638 1.00 0.00 C ATOM 553 O ALA A 37 12.556 8.712 0.486 1.00 0.00 O ATOM 554 CB ALA A 37 10.851 9.231 -1.801 1.00 0.00 C ATOM 0 H ALA A 37 9.174 10.411 0.261 1.00 0.00 H new ATOM 0 HA ALA A 37 10.153 7.737 -0.429 1.00 0.00 H new ATOM 0 HB1 ALA A 37 11.795 8.727 -2.007 1.00 0.00 H new ATOM 0 HB2 ALA A 37 10.120 8.958 -2.562 1.00 0.00 H new ATOM 0 HB3 ALA A 37 11.005 10.310 -1.817 1.00 0.00 H new ATOM 560 N GLN A 38 10.999 9.772 1.718 1.00 0.00 N ATOM 561 CA GLN A 38 11.929 10.098 2.800 1.00 0.00 C ATOM 562 C GLN A 38 12.618 8.842 3.320 1.00 0.00 C ATOM 563 O GLN A 38 13.805 8.626 3.080 1.00 0.00 O ATOM 564 CB GLN A 38 11.196 10.802 3.945 1.00 0.00 C ATOM 565 CG GLN A 38 12.094 11.142 5.124 1.00 0.00 C ATOM 566 CD GLN A 38 13.232 12.068 4.738 1.00 0.00 C ATOM 567 OE1 GLN A 38 13.009 13.158 4.212 1.00 0.00 O ATOM 568 NE2 GLN A 38 14.461 11.636 4.997 1.00 0.00 N ATOM 0 H GLN A 38 10.045 10.102 1.866 1.00 0.00 H new ATOM 0 HA GLN A 38 12.688 10.770 2.399 1.00 0.00 H new ATOM 0 HB2 GLN A 38 10.744 11.719 3.567 1.00 0.00 H new ATOM 0 HB3 GLN A 38 10.382 10.165 4.291 1.00 0.00 H new ATOM 0 HG2 GLN A 38 11.498 11.610 5.907 1.00 0.00 H new ATOM 0 HG3 GLN A 38 12.504 10.222 5.542 1.00 0.00 H new ATOM 0 HE21 GLN A 38 14.600 10.725 5.434 1.00 0.00 H new ATOM 0 HE22 GLN A 38 15.266 12.215 4.758 1.00 0.00 H new ATOM 577 N ALA A 39 11.863 8.010 4.032 1.00 0.00 N ATOM 578 CA ALA A 39 12.398 6.771 4.583 1.00 0.00 C ATOM 579 C ALA A 39 12.486 5.678 3.519 1.00 0.00 C ATOM 580 O ALA A 39 12.636 4.501 3.843 1.00 0.00 O ATOM 581 CB ALA A 39 11.533 6.301 5.744 1.00 0.00 C ATOM 0 H ALA A 39 10.878 8.173 4.240 1.00 0.00 H new ATOM 0 HA ALA A 39 13.408 6.971 4.942 1.00 0.00 H new ATOM 0 HB1 ALA A 39 11.940 5.375 6.149 1.00 0.00 H new ATOM 0 HB2 ALA A 39 11.523 7.064 6.522 1.00 0.00 H new ATOM 0 HB3 ALA A 39 10.516 6.127 5.393 1.00 0.00 H new ATOM 587 N LYS A 40 12.383 6.069 2.250 1.00 0.00 N ATOM 588 CA LYS A 40 12.442 5.116 1.150 1.00 0.00 C ATOM 589 C LYS A 40 11.246 4.173 1.192 1.00 0.00 C ATOM 590 O LYS A 40 11.281 3.092 0.608 1.00 0.00 O ATOM 591 CB LYS A 40 13.743 4.310 1.198 1.00 0.00 C ATOM 592 CG LYS A 40 14.995 5.172 1.150 1.00 0.00 C ATOM 593 CD LYS A 40 15.880 4.937 2.364 1.00 0.00 C ATOM 594 CE LYS A 40 17.106 5.835 2.344 1.00 0.00 C ATOM 595 NZ LYS A 40 18.355 5.063 2.096 1.00 0.00 N ATOM 0 H LYS A 40 12.258 7.039 1.961 1.00 0.00 H new ATOM 0 HA LYS A 40 12.414 5.679 0.217 1.00 0.00 H new ATOM 0 HB2 LYS A 40 13.758 3.713 2.110 1.00 0.00 H new ATOM 0 HB3 LYS A 40 13.760 3.613 0.360 1.00 0.00 H new ATOM 0 HG2 LYS A 40 15.555 4.951 0.242 1.00 0.00 H new ATOM 0 HG3 LYS A 40 14.712 6.224 1.102 1.00 0.00 H new ATOM 0 HD2 LYS A 40 15.308 5.121 3.273 1.00 0.00 H new ATOM 0 HD3 LYS A 40 16.193 3.893 2.390 1.00 0.00 H new ATOM 0 HE2 LYS A 40 16.988 6.593 1.570 1.00 0.00 H new ATOM 0 HE3 LYS A 40 17.187 6.361 3.296 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 19.168 5.711 2.090 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 18.481 4.356 2.848 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 18.289 4.582 1.176 1.00 0.00 H new ATOM 609 N ILE A 41 10.182 4.595 1.876 1.00 0.00 N ATOM 610 CA ILE A 41 8.973 3.788 1.983 1.00 0.00 C ATOM 611 C ILE A 41 8.454 3.407 0.599 1.00 0.00 C ATOM 612 O ILE A 41 7.780 2.390 0.432 1.00 0.00 O ATOM 613 CB ILE A 41 7.869 4.537 2.766 1.00 0.00 C ATOM 614 CG1 ILE A 41 8.399 4.972 4.138 1.00 0.00 C ATOM 615 CG2 ILE A 41 6.622 3.672 2.921 1.00 0.00 C ATOM 616 CD1 ILE A 41 7.362 5.644 5.013 1.00 0.00 C ATOM 0 H ILE A 41 10.136 5.490 2.363 1.00 0.00 H new ATOM 0 HA ILE A 41 9.231 2.880 2.529 1.00 0.00 H new ATOM 0 HB ILE A 41 7.589 5.425 2.199 1.00 0.00 H new ATOM 0 HG12 ILE A 41 8.788 4.098 4.660 1.00 0.00 H new ATOM 0 HG13 ILE A 41 9.236 5.656 3.993 1.00 0.00 H new ATOM 0 HG21 ILE A 41 5.863 4.224 3.475 1.00 0.00 H new ATOM 0 HG22 ILE A 41 6.235 3.412 1.936 1.00 0.00 H new ATOM 0 HG23 ILE A 41 6.876 2.761 3.463 1.00 0.00 H new ATOM 0 HD11 ILE A 41 7.814 5.922 5.965 1.00 0.00 H new ATOM 0 HD12 ILE A 41 6.989 6.538 4.514 1.00 0.00 H new ATOM 0 HD13 ILE A 41 6.535 4.956 5.191 1.00 0.00 H new ATOM 628 N ALA A 42 8.781 4.229 -0.388 1.00 0.00 N ATOM 629 CA ALA A 42 8.358 3.981 -1.758 1.00 0.00 C ATOM 630 C ALA A 42 9.045 2.742 -2.332 1.00 0.00 C ATOM 631 O ALA A 42 8.457 1.656 -2.392 1.00 0.00 O ATOM 632 CB ALA A 42 8.639 5.203 -2.623 1.00 0.00 C ATOM 0 H ALA A 42 9.339 5.074 -0.265 1.00 0.00 H new ATOM 0 HA ALA A 42 7.284 3.793 -1.756 1.00 0.00 H new ATOM 0 HB1 ALA A 42 8.318 5.006 -3.646 1.00 0.00 H new ATOM 0 HB2 ALA A 42 8.092 6.060 -2.230 1.00 0.00 H new ATOM 0 HB3 ALA A 42 9.707 5.418 -2.613 1.00 0.00 H new ATOM 638 N ILE A 43 10.295 2.911 -2.753 1.00 0.00 N ATOM 639 CA ILE A 43 11.068 1.814 -3.324 1.00 0.00 C ATOM 640 C ILE A 43 11.043 0.589 -2.414 1.00 0.00 C ATOM 641 O ILE A 43 10.943 -0.545 -2.887 1.00 0.00 O ATOM 642 CB ILE A 43 12.528 2.233 -3.587 1.00 0.00 C ATOM 643 CG1 ILE A 43 12.572 3.495 -4.452 1.00 0.00 C ATOM 644 CG2 ILE A 43 13.296 1.101 -4.257 1.00 0.00 C ATOM 645 CD1 ILE A 43 11.843 3.351 -5.772 1.00 0.00 C ATOM 0 H ILE A 43 10.795 3.799 -2.709 1.00 0.00 H new ATOM 0 HA ILE A 43 10.602 1.556 -4.275 1.00 0.00 H new ATOM 0 HB ILE A 43 13.003 2.451 -2.630 1.00 0.00 H new ATOM 0 HG12 ILE A 43 12.136 4.323 -3.894 1.00 0.00 H new ATOM 0 HG13 ILE A 43 13.612 3.755 -4.647 1.00 0.00 H new ATOM 0 HG21 ILE A 43 14.325 1.415 -4.435 1.00 0.00 H new ATOM 0 HG22 ILE A 43 13.291 0.224 -3.609 1.00 0.00 H new ATOM 0 HG23 ILE A 43 12.823 0.853 -5.207 1.00 0.00 H new ATOM 0 HD11 ILE A 43 11.916 4.284 -6.332 1.00 0.00 H new ATOM 0 HD12 ILE A 43 12.294 2.544 -6.350 1.00 0.00 H new ATOM 0 HD13 ILE A 43 10.794 3.121 -5.585 1.00 0.00 H new ATOM 657 N ALA A 44 11.118 0.822 -1.105 1.00 0.00 N ATOM 658 CA ALA A 44 11.085 -0.271 -0.142 1.00 0.00 C ATOM 659 C ALA A 44 9.807 -1.078 -0.306 1.00 0.00 C ATOM 660 O ALA A 44 9.847 -2.229 -0.742 1.00 0.00 O ATOM 661 CB ALA A 44 11.201 0.253 1.280 1.00 0.00 C ATOM 0 H ALA A 44 11.201 1.751 -0.692 1.00 0.00 H new ATOM 0 HA ALA A 44 11.939 -0.921 -0.334 1.00 0.00 H new ATOM 0 HB1 ALA A 44 11.174 -0.583 1.979 1.00 0.00 H new ATOM 0 HB2 ALA A 44 12.142 0.791 1.394 1.00 0.00 H new ATOM 0 HB3 ALA A 44 10.370 0.927 1.488 1.00 0.00 H new ATOM 667 N GLU A 45 8.671 -0.466 0.046 1.00 0.00 N ATOM 668 CA GLU A 45 7.369 -1.125 -0.066 1.00 0.00 C ATOM 669 C GLU A 45 7.342 -2.065 -1.261 1.00 0.00 C ATOM 670 O GLU A 45 6.850 -3.190 -1.168 1.00 0.00 O ATOM 671 CB GLU A 45 6.252 -0.091 -0.194 1.00 0.00 C ATOM 672 CG GLU A 45 4.859 -0.701 -0.176 1.00 0.00 C ATOM 673 CD GLU A 45 4.099 -0.466 -1.466 1.00 0.00 C ATOM 674 OE1 GLU A 45 3.538 0.637 -1.634 1.00 0.00 O ATOM 675 OE2 GLU A 45 4.064 -1.386 -2.310 1.00 0.00 O ATOM 0 H GLU A 45 8.629 0.486 0.411 1.00 0.00 H new ATOM 0 HA GLU A 45 7.208 -1.707 0.841 1.00 0.00 H new ATOM 0 HB2 GLU A 45 6.337 0.627 0.622 1.00 0.00 H new ATOM 0 HB3 GLU A 45 6.386 0.464 -1.123 1.00 0.00 H new ATOM 0 HG2 GLU A 45 4.939 -1.773 0.003 1.00 0.00 H new ATOM 0 HG3 GLU A 45 4.294 -0.280 0.655 1.00 0.00 H new ATOM 682 N GLY A 46 7.910 -1.609 -2.372 1.00 0.00 N ATOM 683 CA GLY A 46 7.972 -2.448 -3.552 1.00 0.00 C ATOM 684 C GLY A 46 8.691 -3.745 -3.245 1.00 0.00 C ATOM 685 O GLY A 46 8.066 -4.798 -3.119 1.00 0.00 O ATOM 0 H GLY A 46 8.324 -0.683 -2.476 1.00 0.00 H new ATOM 0 HA2 GLY A 46 6.964 -2.660 -3.908 1.00 0.00 H new ATOM 0 HA3 GLY A 46 8.489 -1.920 -4.354 1.00 0.00 H new ATOM 689 N GLN A 47 10.012 -3.661 -3.123 1.00 0.00 N ATOM 690 CA GLN A 47 10.843 -4.829 -2.827 1.00 0.00 C ATOM 691 C GLN A 47 10.300 -5.662 -1.659 1.00 0.00 C ATOM 692 O GLN A 47 10.749 -6.787 -1.441 1.00 0.00 O ATOM 693 CB GLN A 47 12.279 -4.395 -2.527 1.00 0.00 C ATOM 694 CG GLN A 47 12.382 -3.277 -1.502 1.00 0.00 C ATOM 695 CD GLN A 47 13.814 -2.844 -1.258 1.00 0.00 C ATOM 696 OE1 GLN A 47 14.290 -1.870 -1.841 1.00 0.00 O ATOM 697 NE2 GLN A 47 14.512 -3.570 -0.391 1.00 0.00 N ATOM 0 H GLN A 47 10.535 -2.791 -3.225 1.00 0.00 H new ATOM 0 HA GLN A 47 10.823 -5.462 -3.714 1.00 0.00 H new ATOM 0 HB2 GLN A 47 12.841 -5.257 -2.168 1.00 0.00 H new ATOM 0 HB3 GLN A 47 12.751 -4.070 -3.454 1.00 0.00 H new ATOM 0 HG2 GLN A 47 11.800 -2.421 -1.843 1.00 0.00 H new ATOM 0 HG3 GLN A 47 11.941 -3.608 -0.562 1.00 0.00 H new ATOM 0 HE21 GLN A 47 14.078 -4.370 0.070 1.00 0.00 H new ATOM 0 HE22 GLN A 47 15.481 -3.327 -0.187 1.00 0.00 H new ATOM 706 N VAL A 48 9.343 -5.120 -0.905 1.00 0.00 N ATOM 707 CA VAL A 48 8.782 -5.848 0.226 1.00 0.00 C ATOM 708 C VAL A 48 7.834 -6.952 -0.249 1.00 0.00 C ATOM 709 O VAL A 48 8.284 -8.062 -0.537 1.00 0.00 O ATOM 710 CB VAL A 48 8.054 -4.912 1.210 1.00 0.00 C ATOM 711 CG1 VAL A 48 7.488 -5.704 2.384 1.00 0.00 C ATOM 712 CG2 VAL A 48 8.995 -3.821 1.693 1.00 0.00 C ATOM 0 H VAL A 48 8.947 -4.192 -1.056 1.00 0.00 H new ATOM 0 HA VAL A 48 9.618 -6.304 0.756 1.00 0.00 H new ATOM 0 HB VAL A 48 7.220 -4.439 0.691 1.00 0.00 H new ATOM 0 HG11 VAL A 48 6.978 -5.026 3.068 1.00 0.00 H new ATOM 0 HG12 VAL A 48 6.781 -6.447 2.015 1.00 0.00 H new ATOM 0 HG13 VAL A 48 8.300 -6.206 2.910 1.00 0.00 H new ATOM 0 HG21 VAL A 48 8.468 -3.167 2.387 1.00 0.00 H new ATOM 0 HG22 VAL A 48 9.848 -4.274 2.198 1.00 0.00 H new ATOM 0 HG23 VAL A 48 9.345 -3.239 0.841 1.00 0.00 H new ATOM 722 N LYS A 49 6.530 -6.674 -0.335 1.00 0.00 N ATOM 723 CA LYS A 49 5.590 -7.698 -0.779 1.00 0.00 C ATOM 724 C LYS A 49 4.221 -7.121 -1.117 1.00 0.00 C ATOM 725 O LYS A 49 3.582 -6.481 -0.283 1.00 0.00 O ATOM 726 CB LYS A 49 5.438 -8.768 0.305 1.00 0.00 C ATOM 727 CG LYS A 49 6.115 -10.083 -0.038 1.00 0.00 C ATOM 728 CD LYS A 49 5.224 -10.961 -0.899 1.00 0.00 C ATOM 729 CE LYS A 49 5.487 -12.436 -0.639 1.00 0.00 C ATOM 730 NZ LYS A 49 4.580 -13.314 -1.429 1.00 0.00 N ATOM 0 H LYS A 49 6.112 -5.771 -0.109 1.00 0.00 H new ATOM 0 HA LYS A 49 5.997 -8.137 -1.690 1.00 0.00 H new ATOM 0 HB2 LYS A 49 5.853 -8.388 1.239 1.00 0.00 H new ATOM 0 HB3 LYS A 49 4.377 -8.950 0.478 1.00 0.00 H new ATOM 0 HG2 LYS A 49 7.050 -9.886 -0.563 1.00 0.00 H new ATOM 0 HG3 LYS A 49 6.371 -10.612 0.880 1.00 0.00 H new ATOM 0 HD2 LYS A 49 4.178 -10.734 -0.694 1.00 0.00 H new ATOM 0 HD3 LYS A 49 5.398 -10.738 -1.952 1.00 0.00 H new ATOM 0 HE2 LYS A 49 6.523 -12.668 -0.887 1.00 0.00 H new ATOM 0 HE3 LYS A 49 5.359 -12.645 0.423 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 4.794 -14.310 -1.221 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 3.592 -13.111 -1.174 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 4.720 -13.134 -2.444 1.00 0.00 H new ATOM 744 N VAL A 50 3.759 -7.387 -2.338 1.00 0.00 N ATOM 745 CA VAL A 50 2.447 -6.932 -2.768 1.00 0.00 C ATOM 746 C VAL A 50 1.577 -8.139 -3.093 1.00 0.00 C ATOM 747 O VAL A 50 2.089 -9.180 -3.501 1.00 0.00 O ATOM 748 CB VAL A 50 2.527 -6.021 -4.006 1.00 0.00 C ATOM 749 CG1 VAL A 50 1.189 -5.346 -4.259 1.00 0.00 C ATOM 750 CG2 VAL A 50 3.633 -4.987 -3.853 1.00 0.00 C ATOM 0 H VAL A 50 4.276 -7.914 -3.042 1.00 0.00 H new ATOM 0 HA VAL A 50 2.014 -6.352 -1.953 1.00 0.00 H new ATOM 0 HB VAL A 50 2.767 -6.642 -4.869 1.00 0.00 H new ATOM 0 HG11 VAL A 50 1.265 -4.706 -5.138 1.00 0.00 H new ATOM 0 HG12 VAL A 50 0.425 -6.105 -4.427 1.00 0.00 H new ATOM 0 HG13 VAL A 50 0.916 -4.742 -3.393 1.00 0.00 H new ATOM 0 HG21 VAL A 50 3.667 -4.357 -4.742 1.00 0.00 H new ATOM 0 HG22 VAL A 50 3.435 -4.369 -2.977 1.00 0.00 H new ATOM 0 HG23 VAL A 50 4.590 -5.494 -3.730 1.00 0.00 H new ATOM 760 N ASP A 51 0.271 -8.014 -2.890 1.00 0.00 N ATOM 761 CA ASP A 51 -0.648 -9.120 -3.149 1.00 0.00 C ATOM 762 C ASP A 51 -0.346 -9.799 -4.483 1.00 0.00 C ATOM 763 O ASP A 51 -0.723 -9.306 -5.545 1.00 0.00 O ATOM 764 CB ASP A 51 -2.090 -8.624 -3.137 1.00 0.00 C ATOM 765 CG ASP A 51 -3.077 -9.716 -2.774 1.00 0.00 C ATOM 766 OD1 ASP A 51 -2.813 -10.890 -3.107 1.00 0.00 O ATOM 767 OD2 ASP A 51 -4.115 -9.397 -2.156 1.00 0.00 O ATOM 0 H ASP A 51 -0.176 -7.163 -2.549 1.00 0.00 H new ATOM 0 HA ASP A 51 -0.511 -9.855 -2.356 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -2.183 -7.804 -2.425 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -2.341 -8.224 -4.119 1.00 0.00 H new ATOM 772 N GLY A 52 0.341 -10.934 -4.410 1.00 0.00 N ATOM 773 CA GLY A 52 0.691 -11.674 -5.608 1.00 0.00 C ATOM 774 C GLY A 52 1.683 -10.936 -6.488 1.00 0.00 C ATOM 775 O GLY A 52 1.838 -11.267 -7.663 1.00 0.00 O ATOM 0 H GLY A 52 0.663 -11.356 -3.539 1.00 0.00 H new ATOM 0 HA2 GLY A 52 1.112 -12.638 -5.324 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -0.214 -11.878 -6.181 1.00 0.00 H new ATOM 779 N ALA A 53 2.360 -9.936 -5.926 1.00 0.00 N ATOM 780 CA ALA A 53 3.336 -9.166 -6.688 1.00 0.00 C ATOM 781 C ALA A 53 4.511 -8.716 -5.821 1.00 0.00 C ATOM 782 O ALA A 53 4.535 -7.591 -5.323 1.00 0.00 O ATOM 783 CB ALA A 53 2.667 -7.967 -7.340 1.00 0.00 C ATOM 0 H ALA A 53 2.251 -9.643 -4.955 1.00 0.00 H new ATOM 0 HA ALA A 53 3.736 -9.818 -7.464 1.00 0.00 H new ATOM 0 HB1 ALA A 53 3.407 -7.401 -7.906 1.00 0.00 H new ATOM 0 HB2 ALA A 53 1.881 -8.310 -8.012 1.00 0.00 H new ATOM 0 HB3 ALA A 53 2.233 -7.329 -6.570 1.00 0.00 H new ATOM 789 N VAL A 54 5.480 -9.602 -5.631 1.00 0.00 N ATOM 790 CA VAL A 54 6.650 -9.282 -4.824 1.00 0.00 C ATOM 791 C VAL A 54 7.760 -8.694 -5.696 1.00 0.00 C ATOM 792 O VAL A 54 8.818 -9.300 -5.867 1.00 0.00 O ATOM 793 CB VAL A 54 7.178 -10.531 -4.089 1.00 0.00 C ATOM 794 CG1 VAL A 54 7.647 -11.587 -5.080 1.00 0.00 C ATOM 795 CG2 VAL A 54 8.296 -10.151 -3.129 1.00 0.00 C ATOM 0 H VAL A 54 5.479 -10.544 -6.023 1.00 0.00 H new ATOM 0 HA VAL A 54 6.346 -8.543 -4.082 1.00 0.00 H new ATOM 0 HB VAL A 54 6.360 -10.958 -3.509 1.00 0.00 H new ATOM 0 HG11 VAL A 54 8.015 -12.458 -4.537 1.00 0.00 H new ATOM 0 HG12 VAL A 54 6.814 -11.882 -5.718 1.00 0.00 H new ATOM 0 HG13 VAL A 54 8.448 -11.178 -5.695 1.00 0.00 H new ATOM 0 HG21 VAL A 54 8.657 -11.044 -2.619 1.00 0.00 H new ATOM 0 HG22 VAL A 54 9.115 -9.696 -3.686 1.00 0.00 H new ATOM 0 HG23 VAL A 54 7.918 -9.441 -2.393 1.00 0.00 H new ATOM 805 N GLU A 55 7.504 -7.515 -6.258 1.00 0.00 N ATOM 806 CA GLU A 55 8.473 -6.853 -7.128 1.00 0.00 C ATOM 807 C GLU A 55 9.243 -5.766 -6.383 1.00 0.00 C ATOM 808 O GLU A 55 9.111 -5.616 -5.170 1.00 0.00 O ATOM 809 CB GLU A 55 7.760 -6.250 -8.340 1.00 0.00 C ATOM 810 CG GLU A 55 7.084 -7.286 -9.222 1.00 0.00 C ATOM 811 CD GLU A 55 7.963 -7.731 -10.374 1.00 0.00 C ATOM 812 OE1 GLU A 55 8.704 -6.885 -10.917 1.00 0.00 O ATOM 813 OE2 GLU A 55 7.910 -8.926 -10.733 1.00 0.00 O ATOM 0 H GLU A 55 6.634 -6.999 -6.127 1.00 0.00 H new ATOM 0 HA GLU A 55 9.190 -7.603 -7.463 1.00 0.00 H new ATOM 0 HB2 GLU A 55 7.013 -5.536 -7.994 1.00 0.00 H new ATOM 0 HB3 GLU A 55 8.482 -5.692 -8.936 1.00 0.00 H new ATOM 0 HG2 GLU A 55 6.816 -8.153 -8.618 1.00 0.00 H new ATOM 0 HG3 GLU A 55 6.156 -6.873 -9.616 1.00 0.00 H new ATOM 820 N THR A 56 10.055 -5.014 -7.124 1.00 0.00 N ATOM 821 CA THR A 56 10.857 -3.941 -6.539 1.00 0.00 C ATOM 822 C THR A 56 10.905 -2.723 -7.461 1.00 0.00 C ATOM 823 O THR A 56 11.908 -2.011 -7.508 1.00 0.00 O ATOM 824 CB THR A 56 12.284 -4.429 -6.250 1.00 0.00 C ATOM 825 OG1 THR A 56 13.142 -4.159 -7.346 1.00 0.00 O ATOM 826 CG2 THR A 56 12.377 -5.914 -5.959 1.00 0.00 C ATOM 0 H THR A 56 10.175 -5.128 -8.130 1.00 0.00 H new ATOM 0 HA THR A 56 10.383 -3.648 -5.602 1.00 0.00 H new ATOM 0 HB THR A 56 12.589 -3.882 -5.358 1.00 0.00 H new ATOM 0 HG1 THR A 56 13.260 -3.191 -7.438 1.00 0.00 H new ATOM 0 HG21 THR A 56 13.415 -6.182 -5.765 1.00 0.00 H new ATOM 0 HG22 THR A 56 11.771 -6.152 -5.085 1.00 0.00 H new ATOM 0 HG23 THR A 56 12.011 -6.477 -6.818 1.00 0.00 H new ATOM 834 N ARG A 57 9.825 -2.493 -8.198 1.00 0.00 N ATOM 835 CA ARG A 57 9.757 -1.366 -9.122 1.00 0.00 C ATOM 836 C ARG A 57 9.322 -0.087 -8.413 1.00 0.00 C ATOM 837 O ARG A 57 8.883 -0.116 -7.265 1.00 0.00 O ATOM 838 CB ARG A 57 8.795 -1.681 -10.265 1.00 0.00 C ATOM 839 CG ARG A 57 9.369 -2.651 -11.283 1.00 0.00 C ATOM 840 CD ARG A 57 8.275 -3.433 -11.989 1.00 0.00 C ATOM 841 NE ARG A 57 7.321 -2.555 -12.660 1.00 0.00 N ATOM 842 CZ ARG A 57 6.603 -2.914 -13.722 1.00 0.00 C ATOM 843 NH1 ARG A 57 6.717 -4.134 -14.233 1.00 0.00 N ATOM 844 NH2 ARG A 57 5.763 -2.049 -14.274 1.00 0.00 N ATOM 0 H ARG A 57 8.985 -3.071 -8.174 1.00 0.00 H new ATOM 0 HA ARG A 57 10.757 -1.204 -9.524 1.00 0.00 H new ATOM 0 HB2 ARG A 57 7.877 -2.099 -9.853 1.00 0.00 H new ATOM 0 HB3 ARG A 57 8.525 -0.753 -10.769 1.00 0.00 H new ATOM 0 HG2 ARG A 57 9.957 -2.102 -12.018 1.00 0.00 H new ATOM 0 HG3 ARG A 57 10.048 -3.343 -10.785 1.00 0.00 H new ATOM 0 HD2 ARG A 57 8.724 -4.106 -12.719 1.00 0.00 H new ATOM 0 HD3 ARG A 57 7.748 -4.054 -11.265 1.00 0.00 H new ATOM 0 HE ARG A 57 7.197 -1.611 -12.294 1.00 0.00 H new ATOM 0 HH11 ARG A 57 7.359 -4.805 -13.812 1.00 0.00 H new ATOM 0 HH12 ARG A 57 6.163 -4.400 -15.047 1.00 0.00 H new ATOM 0 HH21 ARG A 57 5.668 -1.111 -13.885 1.00 0.00 H new ATOM 0 HH22 ARG A 57 5.212 -2.322 -15.088 1.00 0.00 H new ATOM 858 N LYS A 58 9.446 1.036 -9.116 1.00 0.00 N ATOM 859 CA LYS A 58 9.068 2.332 -8.566 1.00 0.00 C ATOM 860 C LYS A 58 7.552 2.510 -8.583 1.00 0.00 C ATOM 861 O LYS A 58 6.985 3.169 -7.712 1.00 0.00 O ATOM 862 CB LYS A 58 9.741 3.453 -9.360 1.00 0.00 C ATOM 863 CG LYS A 58 11.254 3.318 -9.429 1.00 0.00 C ATOM 864 CD LYS A 58 11.787 3.614 -10.825 1.00 0.00 C ATOM 865 CE LYS A 58 11.807 2.365 -11.695 1.00 0.00 C ATOM 866 NZ LYS A 58 10.877 2.479 -12.854 1.00 0.00 N ATOM 0 H LYS A 58 9.806 1.073 -10.070 1.00 0.00 H new ATOM 0 HA LYS A 58 9.404 2.377 -7.530 1.00 0.00 H new ATOM 0 HB2 LYS A 58 9.338 3.464 -10.373 1.00 0.00 H new ATOM 0 HB3 LYS A 58 9.489 4.412 -8.906 1.00 0.00 H new ATOM 0 HG2 LYS A 58 11.712 4.000 -8.713 1.00 0.00 H new ATOM 0 HG3 LYS A 58 11.542 2.308 -9.137 1.00 0.00 H new ATOM 0 HD2 LYS A 58 11.168 4.377 -11.297 1.00 0.00 H new ATOM 0 HD3 LYS A 58 12.795 4.022 -10.751 1.00 0.00 H new ATOM 0 HE2 LYS A 58 12.820 2.192 -12.058 1.00 0.00 H new ATOM 0 HE3 LYS A 58 11.532 1.499 -11.093 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 11.042 1.689 -13.510 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 9.894 2.448 -12.515 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 11.045 3.379 -13.347 1.00 0.00 H new ATOM 880 N ARG A 59 6.903 1.916 -9.580 1.00 0.00 N ATOM 881 CA ARG A 59 5.451 2.004 -9.714 1.00 0.00 C ATOM 882 C ARG A 59 4.848 0.623 -9.955 1.00 0.00 C ATOM 883 O ARG A 59 5.470 -0.228 -10.593 1.00 0.00 O ATOM 884 CB ARG A 59 5.081 2.948 -10.860 1.00 0.00 C ATOM 885 CG ARG A 59 5.911 4.221 -10.889 1.00 0.00 C ATOM 886 CD ARG A 59 5.761 4.958 -12.211 1.00 0.00 C ATOM 887 NE ARG A 59 6.744 6.030 -12.352 1.00 0.00 N ATOM 888 CZ ARG A 59 8.053 5.822 -12.476 1.00 0.00 C ATOM 889 NH1 ARG A 59 8.537 4.585 -12.508 1.00 0.00 N ATOM 890 NH2 ARG A 59 8.880 6.853 -12.578 1.00 0.00 N ATOM 0 H ARG A 59 7.360 1.367 -10.309 1.00 0.00 H new ATOM 0 HA ARG A 59 5.044 2.401 -8.784 1.00 0.00 H new ATOM 0 HB2 ARG A 59 5.203 2.422 -11.807 1.00 0.00 H new ATOM 0 HB3 ARG A 59 4.027 3.213 -10.776 1.00 0.00 H new ATOM 0 HG2 ARG A 59 5.605 4.874 -10.071 1.00 0.00 H new ATOM 0 HG3 ARG A 59 6.960 3.975 -10.726 1.00 0.00 H new ATOM 0 HD2 ARG A 59 5.872 4.253 -13.034 1.00 0.00 H new ATOM 0 HD3 ARG A 59 4.756 5.375 -12.282 1.00 0.00 H new ATOM 0 HE ARG A 59 6.408 6.993 -12.356 1.00 0.00 H new ATOM 0 HH11 ARG A 59 7.905 3.788 -12.437 1.00 0.00 H new ATOM 0 HH12 ARG A 59 9.541 4.433 -12.603 1.00 0.00 H new ATOM 0 HH21 ARG A 59 8.513 7.805 -12.561 1.00 0.00 H new ATOM 0 HH22 ARG A 59 9.883 6.695 -12.673 1.00 0.00 H new ATOM 904 N CYS A 60 3.638 0.395 -9.441 1.00 0.00 N ATOM 905 CA CYS A 60 2.980 -0.896 -9.611 1.00 0.00 C ATOM 906 C CYS A 60 1.559 -0.729 -10.133 1.00 0.00 C ATOM 907 O CYS A 60 0.700 -0.164 -9.457 1.00 0.00 O ATOM 908 CB CYS A 60 2.965 -1.656 -8.284 1.00 0.00 C ATOM 909 SG CYS A 60 3.469 -3.387 -8.419 1.00 0.00 S ATOM 0 H CYS A 60 3.101 1.081 -8.910 1.00 0.00 H new ATOM 0 HA CYS A 60 3.545 -1.467 -10.348 1.00 0.00 H new ATOM 0 HB2 CYS A 60 3.626 -1.150 -7.580 1.00 0.00 H new ATOM 0 HB3 CYS A 60 1.960 -1.613 -7.864 1.00 0.00 H new ATOM 0 HG CYS A 60 3.426 -3.944 -7.245 1.00 0.00 H new ATOM 915 N LYS A 61 1.317 -1.235 -11.336 1.00 0.00 N ATOM 916 CA LYS A 61 -0.004 -1.154 -11.947 1.00 0.00 C ATOM 917 C LYS A 61 -0.945 -2.173 -11.313 1.00 0.00 C ATOM 918 O LYS A 61 -1.012 -3.323 -11.746 1.00 0.00 O ATOM 919 CB LYS A 61 0.093 -1.399 -13.456 1.00 0.00 C ATOM 920 CG LYS A 61 0.603 -0.203 -14.241 1.00 0.00 C ATOM 921 CD LYS A 61 1.532 -0.631 -15.366 1.00 0.00 C ATOM 922 CE LYS A 61 2.079 0.563 -16.132 1.00 0.00 C ATOM 923 NZ LYS A 61 1.797 0.461 -17.591 1.00 0.00 N ATOM 0 H LYS A 61 2.018 -1.706 -11.908 1.00 0.00 H new ATOM 0 HA LYS A 61 -0.403 -0.154 -11.777 1.00 0.00 H new ATOM 0 HB2 LYS A 61 0.754 -2.247 -13.635 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -0.891 -1.676 -13.833 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -0.241 0.349 -14.655 1.00 0.00 H new ATOM 0 HG3 LYS A 61 1.130 0.476 -13.571 1.00 0.00 H new ATOM 0 HD2 LYS A 61 2.360 -1.209 -14.954 1.00 0.00 H new ATOM 0 HD3 LYS A 61 0.995 -1.287 -16.051 1.00 0.00 H new ATOM 0 HE2 LYS A 61 1.638 1.479 -15.740 1.00 0.00 H new ATOM 0 HE3 LYS A 61 3.155 0.634 -15.974 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 2.185 1.293 -18.079 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 2.239 -0.400 -17.971 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 0.769 0.419 -17.744 1.00 0.00 H new ATOM 937 N ILE A 62 -1.664 -1.746 -10.279 1.00 0.00 N ATOM 938 CA ILE A 62 -2.593 -2.626 -9.578 1.00 0.00 C ATOM 939 C ILE A 62 -3.934 -1.941 -9.345 1.00 0.00 C ATOM 940 O ILE A 62 -3.988 -0.756 -9.012 1.00 0.00 O ATOM 941 CB ILE A 62 -2.023 -3.078 -8.221 1.00 0.00 C ATOM 942 CG1 ILE A 62 -0.603 -3.618 -8.395 1.00 0.00 C ATOM 943 CG2 ILE A 62 -2.923 -4.130 -7.591 1.00 0.00 C ATOM 944 CD1 ILE A 62 0.079 -3.945 -7.085 1.00 0.00 C ATOM 0 H ILE A 62 -1.621 -0.797 -9.908 1.00 0.00 H new ATOM 0 HA ILE A 62 -2.739 -3.499 -10.215 1.00 0.00 H new ATOM 0 HB ILE A 62 -1.985 -2.216 -7.555 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -0.636 -4.515 -9.013 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -0.006 -2.882 -8.934 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -2.506 -4.439 -6.632 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -3.918 -3.712 -7.436 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -2.991 -4.994 -8.252 1.00 0.00 H new ATOM 0 HD11 ILE A 62 1.082 -4.323 -7.282 1.00 0.00 H new ATOM 0 HD12 ILE A 62 0.144 -3.045 -6.474 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -0.497 -4.703 -6.554 1.00 0.00 H new ATOM 956 N VAL A 63 -5.011 -2.696 -9.517 1.00 0.00 N ATOM 957 CA VAL A 63 -6.357 -2.170 -9.327 1.00 0.00 C ATOM 958 C VAL A 63 -7.292 -3.240 -8.769 1.00 0.00 C ATOM 959 O VAL A 63 -6.910 -4.402 -8.639 1.00 0.00 O ATOM 960 CB VAL A 63 -6.953 -1.646 -10.647 1.00 0.00 C ATOM 961 CG1 VAL A 63 -6.416 -0.261 -10.963 1.00 0.00 C ATOM 962 CG2 VAL A 63 -6.676 -2.612 -11.793 1.00 0.00 C ATOM 0 H VAL A 63 -4.979 -3.679 -9.789 1.00 0.00 H new ATOM 0 HA VAL A 63 -6.270 -1.347 -8.618 1.00 0.00 H new ATOM 0 HB VAL A 63 -8.034 -1.573 -10.526 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -6.849 0.092 -11.899 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -6.682 0.425 -10.159 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -5.331 -0.304 -11.058 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -7.107 -2.218 -12.713 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -5.600 -2.729 -11.918 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -7.123 -3.581 -11.568 1.00 0.00 H new ATOM 972 N ALA A 64 -8.526 -2.844 -8.462 1.00 0.00 N ATOM 973 CA ALA A 64 -9.529 -3.774 -7.941 1.00 0.00 C ATOM 974 C ALA A 64 -9.269 -4.135 -6.474 1.00 0.00 C ATOM 975 O ALA A 64 -8.845 -3.290 -5.686 1.00 0.00 O ATOM 976 CB ALA A 64 -9.582 -5.023 -8.813 1.00 0.00 C ATOM 0 H ALA A 64 -8.857 -1.885 -8.565 1.00 0.00 H new ATOM 0 HA ALA A 64 -10.499 -3.278 -7.975 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -10.331 -5.710 -8.419 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -9.847 -4.744 -9.833 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -8.607 -5.509 -8.812 1.00 0.00 H new ATOM 982 N GLY A 65 -9.541 -5.391 -6.109 1.00 0.00 N ATOM 983 CA GLY A 65 -9.345 -5.833 -4.743 1.00 0.00 C ATOM 984 C GLY A 65 -7.983 -6.454 -4.518 1.00 0.00 C ATOM 985 O GLY A 65 -7.842 -7.677 -4.517 1.00 0.00 O ATOM 0 H GLY A 65 -9.895 -6.108 -6.742 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -9.468 -4.984 -4.070 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -10.117 -6.558 -4.486 1.00 0.00 H new ATOM 989 N GLN A 66 -6.976 -5.610 -4.341 1.00 0.00 N ATOM 990 CA GLN A 66 -5.612 -6.081 -4.130 1.00 0.00 C ATOM 991 C GLN A 66 -5.049 -5.569 -2.807 1.00 0.00 C ATOM 992 O GLN A 66 -5.701 -4.801 -2.099 1.00 0.00 O ATOM 993 CB GLN A 66 -4.713 -5.636 -5.283 1.00 0.00 C ATOM 994 CG GLN A 66 -5.076 -6.274 -6.614 1.00 0.00 C ATOM 995 CD GLN A 66 -3.934 -7.071 -7.214 1.00 0.00 C ATOM 996 OE1 GLN A 66 -2.834 -7.116 -6.664 1.00 0.00 O ATOM 997 NE2 GLN A 66 -4.192 -7.705 -8.352 1.00 0.00 N ATOM 0 H GLN A 66 -7.077 -4.595 -4.339 1.00 0.00 H new ATOM 0 HA GLN A 66 -5.637 -7.170 -4.093 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -4.770 -4.552 -5.381 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -3.678 -5.880 -5.042 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -5.936 -6.929 -6.475 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -5.377 -5.495 -7.315 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -5.119 -7.640 -8.773 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -3.463 -8.257 -8.805 1.00 0.00 H new ATOM 1006 N THR A 67 -3.845 -6.023 -2.471 1.00 0.00 N ATOM 1007 CA THR A 67 -3.196 -5.638 -1.218 1.00 0.00 C ATOM 1008 C THR A 67 -1.720 -5.291 -1.420 1.00 0.00 C ATOM 1009 O THR A 67 -1.058 -5.822 -2.312 1.00 0.00 O ATOM 1010 CB THR A 67 -3.312 -6.777 -0.197 1.00 0.00 C ATOM 1011 OG1 THR A 67 -4.656 -7.212 -0.055 1.00 0.00 O ATOM 1012 CG2 THR A 67 -2.807 -6.402 1.180 1.00 0.00 C ATOM 0 H THR A 67 -3.297 -6.659 -3.049 1.00 0.00 H new ATOM 0 HA THR A 67 -3.705 -4.748 -0.849 1.00 0.00 H new ATOM 0 HB THR A 67 -2.686 -7.574 -0.598 1.00 0.00 H new ATOM 0 HG1 THR A 67 -4.823 -7.961 -0.664 1.00 0.00 H new ATOM 0 HG21 THR A 67 -2.918 -7.253 1.852 1.00 0.00 H new ATOM 0 HG22 THR A 67 -1.755 -6.123 1.118 1.00 0.00 H new ATOM 0 HG23 THR A 67 -3.384 -5.560 1.562 1.00 0.00 H new ATOM 1020 N VAL A 68 -1.215 -4.405 -0.564 1.00 0.00 N ATOM 1021 CA VAL A 68 0.181 -3.979 -0.607 1.00 0.00 C ATOM 1022 C VAL A 68 0.786 -4.081 0.799 1.00 0.00 C ATOM 1023 O VAL A 68 0.093 -3.845 1.789 1.00 0.00 O ATOM 1024 CB VAL A 68 0.297 -2.534 -1.169 1.00 0.00 C ATOM 1025 CG1 VAL A 68 1.102 -1.619 -0.258 1.00 0.00 C ATOM 1026 CG2 VAL A 68 0.902 -2.555 -2.562 1.00 0.00 C ATOM 0 H VAL A 68 -1.760 -3.964 0.176 1.00 0.00 H new ATOM 0 HA VAL A 68 0.739 -4.633 -1.277 1.00 0.00 H new ATOM 0 HB VAL A 68 -0.714 -2.129 -1.220 1.00 0.00 H new ATOM 0 HG11 VAL A 68 1.153 -0.622 -0.696 1.00 0.00 H new ATOM 0 HG12 VAL A 68 0.620 -1.562 0.718 1.00 0.00 H new ATOM 0 HG13 VAL A 68 2.110 -2.016 -0.142 1.00 0.00 H new ATOM 0 HG21 VAL A 68 0.977 -1.536 -2.942 1.00 0.00 H new ATOM 0 HG22 VAL A 68 1.896 -3.000 -2.520 1.00 0.00 H new ATOM 0 HG23 VAL A 68 0.268 -3.144 -3.225 1.00 0.00 H new ATOM 1036 N SER A 69 2.065 -4.456 0.897 1.00 0.00 N ATOM 1037 CA SER A 69 2.699 -4.603 2.211 1.00 0.00 C ATOM 1038 C SER A 69 4.148 -4.105 2.239 1.00 0.00 C ATOM 1039 O SER A 69 4.918 -4.316 1.295 1.00 0.00 O ATOM 1040 CB SER A 69 2.654 -6.069 2.648 1.00 0.00 C ATOM 1041 OG SER A 69 1.324 -6.495 2.900 1.00 0.00 O ATOM 0 H SER A 69 2.671 -4.659 0.102 1.00 0.00 H new ATOM 0 HA SER A 69 2.133 -3.980 2.904 1.00 0.00 H new ATOM 0 HB2 SER A 69 3.097 -6.695 1.873 1.00 0.00 H new ATOM 0 HB3 SER A 69 3.256 -6.201 3.547 1.00 0.00 H new ATOM 0 HG SER A 69 1.067 -6.244 3.812 1.00 0.00 H new ATOM 1047 N PHE A 70 4.505 -3.462 3.357 1.00 0.00 N ATOM 1048 CA PHE A 70 5.852 -2.932 3.574 1.00 0.00 C ATOM 1049 C PHE A 70 6.229 -3.033 5.051 1.00 0.00 C ATOM 1050 O PHE A 70 5.543 -2.480 5.908 1.00 0.00 O ATOM 1051 CB PHE A 70 5.933 -1.469 3.127 1.00 0.00 C ATOM 1052 CG PHE A 70 7.211 -0.772 3.523 1.00 0.00 C ATOM 1053 CD1 PHE A 70 8.377 -1.486 3.755 1.00 0.00 C ATOM 1054 CD2 PHE A 70 7.238 0.605 3.669 1.00 0.00 C ATOM 1055 CE1 PHE A 70 9.542 -0.843 4.124 1.00 0.00 C ATOM 1056 CE2 PHE A 70 8.400 1.252 4.037 1.00 0.00 C ATOM 1057 CZ PHE A 70 9.554 0.530 4.264 1.00 0.00 C ATOM 0 H PHE A 70 3.867 -3.296 4.135 1.00 0.00 H new ATOM 0 HA PHE A 70 6.550 -3.524 2.982 1.00 0.00 H new ATOM 0 HB2 PHE A 70 5.829 -1.426 2.043 1.00 0.00 H new ATOM 0 HB3 PHE A 70 5.089 -0.924 3.550 1.00 0.00 H new ATOM 0 HD1 PHE A 70 8.374 -2.560 3.646 1.00 0.00 H new ATOM 0 HD2 PHE A 70 6.340 1.179 3.493 1.00 0.00 H new ATOM 0 HE1 PHE A 70 10.442 -1.413 4.303 1.00 0.00 H new ATOM 0 HE2 PHE A 70 8.406 2.326 4.148 1.00 0.00 H new ATOM 0 HZ PHE A 70 10.463 1.038 4.550 1.00 0.00 H new ATOM 1067 N ALA A 71 7.330 -3.728 5.340 1.00 0.00 N ATOM 1068 CA ALA A 71 7.807 -3.891 6.711 1.00 0.00 C ATOM 1069 C ALA A 71 6.688 -4.355 7.641 1.00 0.00 C ATOM 1070 O ALA A 71 6.550 -5.549 7.911 1.00 0.00 O ATOM 1071 CB ALA A 71 8.415 -2.589 7.213 1.00 0.00 C ATOM 0 H ALA A 71 7.909 -4.188 4.638 1.00 0.00 H new ATOM 0 HA ALA A 71 8.576 -4.664 6.711 1.00 0.00 H new ATOM 0 HB1 ALA A 71 8.767 -2.722 8.236 1.00 0.00 H new ATOM 0 HB2 ALA A 71 9.253 -2.309 6.575 1.00 0.00 H new ATOM 0 HB3 ALA A 71 7.661 -1.802 7.189 1.00 0.00 H new ATOM 1077 N GLY A 72 5.892 -3.408 8.127 1.00 0.00 N ATOM 1078 CA GLY A 72 4.797 -3.741 9.018 1.00 0.00 C ATOM 1079 C GLY A 72 3.470 -3.175 8.560 1.00 0.00 C ATOM 1080 O GLY A 72 2.436 -3.440 9.175 1.00 0.00 O ATOM 0 H GLY A 72 5.987 -2.414 7.919 1.00 0.00 H new ATOM 0 HA2 GLY A 72 4.716 -4.825 9.096 1.00 0.00 H new ATOM 0 HA3 GLY A 72 5.021 -3.365 10.016 1.00 0.00 H new ATOM 1084 N HIS A 73 3.488 -2.382 7.496 1.00 0.00 N ATOM 1085 CA HIS A 73 2.263 -1.775 6.996 1.00 0.00 C ATOM 1086 C HIS A 73 1.570 -2.670 5.972 1.00 0.00 C ATOM 1087 O HIS A 73 2.085 -2.891 4.876 1.00 0.00 O ATOM 1088 CB HIS A 73 2.549 -0.412 6.361 1.00 0.00 C ATOM 1089 CG HIS A 73 3.614 0.386 7.049 1.00 0.00 C ATOM 1090 ND1 HIS A 73 4.097 0.089 8.306 1.00 0.00 N ATOM 1091 CD2 HIS A 73 4.292 1.485 6.640 1.00 0.00 C ATOM 1092 CE1 HIS A 73 5.024 0.969 8.640 1.00 0.00 C ATOM 1093 NE2 HIS A 73 5.161 1.827 7.646 1.00 0.00 N ATOM 0 H HIS A 73 4.328 -2.146 6.968 1.00 0.00 H new ATOM 0 HA HIS A 73 1.601 -1.645 7.852 1.00 0.00 H new ATOM 0 HB2 HIS A 73 2.842 -0.564 5.322 1.00 0.00 H new ATOM 0 HB3 HIS A 73 1.627 0.170 6.351 1.00 0.00 H new ATOM 0 HD2 HIS A 73 4.171 1.997 5.697 1.00 0.00 H new ATOM 0 HE1 HIS A 73 5.576 0.984 9.568 1.00 0.00 H new ATOM 0 HE2 HIS A 73 5.807 2.616 7.628 1.00 0.00 H new ATOM 1101 N SER A 74 0.390 -3.166 6.330 1.00 0.00 N ATOM 1102 CA SER A 74 -0.387 -4.018 5.435 1.00 0.00 C ATOM 1103 C SER A 74 -1.751 -3.387 5.154 1.00 0.00 C ATOM 1104 O SER A 74 -2.593 -3.291 6.046 1.00 0.00 O ATOM 1105 CB SER A 74 -0.565 -5.410 6.046 1.00 0.00 C ATOM 1106 OG SER A 74 -0.082 -6.416 5.172 1.00 0.00 O ATOM 0 H SER A 74 -0.050 -2.993 7.234 1.00 0.00 H new ATOM 0 HA SER A 74 0.154 -4.117 4.494 1.00 0.00 H new ATOM 0 HB2 SER A 74 -0.034 -5.464 6.996 1.00 0.00 H new ATOM 0 HB3 SER A 74 -1.620 -5.585 6.259 1.00 0.00 H new ATOM 0 HG SER A 74 -0.206 -7.296 5.586 1.00 0.00 H new ATOM 1112 N VAL A 75 -1.960 -2.946 3.916 1.00 0.00 N ATOM 1113 CA VAL A 75 -3.222 -2.315 3.533 1.00 0.00 C ATOM 1114 C VAL A 75 -3.761 -2.891 2.229 1.00 0.00 C ATOM 1115 O VAL A 75 -2.998 -3.354 1.381 1.00 0.00 O ATOM 1116 CB VAL A 75 -3.053 -0.792 3.372 1.00 0.00 C ATOM 1117 CG1 VAL A 75 -4.385 -0.124 3.085 1.00 0.00 C ATOM 1118 CG2 VAL A 75 -2.403 -0.193 4.610 1.00 0.00 C ATOM 0 H VAL A 75 -1.275 -3.013 3.163 1.00 0.00 H new ATOM 0 HA VAL A 75 -3.932 -2.520 4.334 1.00 0.00 H new ATOM 0 HB VAL A 75 -2.398 -0.611 2.520 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -4.237 0.950 2.976 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -4.804 -0.528 2.163 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -5.072 -0.314 3.909 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -2.292 0.883 4.478 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -3.029 -0.389 5.481 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -1.422 -0.643 4.760 1.00 0.00 H new ATOM 1128 N GLN A 76 -5.083 -2.863 2.078 1.00 0.00 N ATOM 1129 CA GLN A 76 -5.728 -3.387 0.880 1.00 0.00 C ATOM 1130 C GLN A 76 -6.386 -2.274 0.069 1.00 0.00 C ATOM 1131 O GLN A 76 -6.675 -1.197 0.589 1.00 0.00 O ATOM 1132 CB GLN A 76 -6.776 -4.434 1.261 1.00 0.00 C ATOM 1133 CG GLN A 76 -6.202 -5.629 2.002 1.00 0.00 C ATOM 1134 CD GLN A 76 -5.945 -5.339 3.467 1.00 0.00 C ATOM 1135 OE1 GLN A 76 -6.290 -4.270 3.970 1.00 0.00 O ATOM 1136 NE2 GLN A 76 -5.335 -6.294 4.158 1.00 0.00 N ATOM 0 H GLN A 76 -5.727 -2.483 2.771 1.00 0.00 H new ATOM 0 HA GLN A 76 -4.957 -3.849 0.263 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -7.538 -3.964 1.883 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -7.274 -4.783 0.356 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -6.891 -6.469 1.917 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -5.269 -5.933 1.527 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -5.067 -7.164 3.698 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -5.134 -6.158 5.149 1.00 0.00 H new ATOM 1145 N VAL A 77 -6.624 -2.551 -1.210 1.00 0.00 N ATOM 1146 CA VAL A 77 -7.254 -1.590 -2.108 1.00 0.00 C ATOM 1147 C VAL A 77 -8.486 -2.211 -2.759 1.00 0.00 C ATOM 1148 O VAL A 77 -8.461 -3.377 -3.144 1.00 0.00 O ATOM 1149 CB VAL A 77 -6.282 -1.130 -3.217 1.00 0.00 C ATOM 1150 CG1 VAL A 77 -6.823 0.101 -3.928 1.00 0.00 C ATOM 1151 CG2 VAL A 77 -4.896 -0.859 -2.645 1.00 0.00 C ATOM 0 H VAL A 77 -6.388 -3.441 -1.650 1.00 0.00 H new ATOM 0 HA VAL A 77 -7.540 -0.724 -1.512 1.00 0.00 H new ATOM 0 HB VAL A 77 -6.194 -1.934 -3.947 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -6.124 0.409 -4.705 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -7.787 -0.134 -4.379 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -6.947 0.911 -3.209 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -4.229 -0.536 -3.445 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -4.961 -0.077 -1.889 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -4.505 -1.770 -2.192 1.00 0.00 H new ATOM 1161 N VAL A 78 -9.563 -1.440 -2.872 1.00 0.00 N ATOM 1162 CA VAL A 78 -10.794 -1.949 -3.470 1.00 0.00 C ATOM 1163 C VAL A 78 -11.385 -0.967 -4.477 1.00 0.00 C ATOM 1164 O VAL A 78 -11.157 0.239 -4.395 1.00 0.00 O ATOM 1165 CB VAL A 78 -11.849 -2.260 -2.392 1.00 0.00 C ATOM 1166 CG1 VAL A 78 -11.352 -3.356 -1.459 1.00 0.00 C ATOM 1167 CG2 VAL A 78 -12.205 -1.004 -1.609 1.00 0.00 C ATOM 0 H VAL A 78 -9.610 -0.470 -2.561 1.00 0.00 H new ATOM 0 HA VAL A 78 -10.527 -2.868 -3.992 1.00 0.00 H new ATOM 0 HB VAL A 78 -12.752 -2.617 -2.888 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -12.110 -3.563 -0.704 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -11.156 -4.261 -2.033 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -10.434 -3.030 -0.971 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -12.952 -1.246 -0.853 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -11.311 -0.612 -1.124 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -12.607 -0.253 -2.289 1.00 0.00 H new ATOM 1177 N ALA A 79 -12.151 -1.499 -5.428 1.00 0.00 N ATOM 1178 CA ALA A 79 -12.782 -0.681 -6.456 1.00 0.00 C ATOM 1179 C ALA A 79 -13.925 -1.434 -7.131 1.00 0.00 C ATOM 1180 O ALA A 79 -13.719 -2.606 -7.508 1.00 0.00 O ATOM 1181 CB ALA A 79 -11.754 -0.245 -7.489 1.00 0.00 C ATOM 1182 OXT ALA A 79 -15.016 -0.844 -7.277 1.00 0.00 O ATOM 0 H ALA A 79 -12.349 -2.497 -5.506 1.00 0.00 H new ATOM 0 HA ALA A 79 -13.197 0.205 -5.976 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -12.240 0.365 -8.251 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -10.973 0.338 -7.001 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -11.312 -1.125 -7.957 1.00 0.00 H new