USER MOD reduce.3.24.130724 H: found=0, std=0, add=594, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 596 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: B 40 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: B 42 SER OG : rot 180:sc= 0.0221 USER MOD Single : A 15 THR OG1 : rot 38:sc= 1.3 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= 0.034 USER MOD Single : A 29 THR OG1 : rot 72:sc= 0.494 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot 93:sc= 1.22 USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 180:sc= -0.0551 USER MOD Single : A 44 TYR OH : rot 164:sc= 1.3 USER MOD Single : A 47 ASN : amide:sc= 0 X(o=0,f=-0.33) USER MOD Single : A 51 ASN : amide:sc= 0.714 K(o=0.71,f=-0.012) USER MOD Single : B 15 THR OG1 : rot 36:sc= 1.3 USER MOD Single : B 19 THR OG1 : rot 180:sc= 0 USER MOD Single : B 23 SER OG : rot 88:sc= 1.25 USER MOD Single : B 29 THR OG1 : rot 75:sc= 0.0874 USER MOD Single : B 32 LYS NZ :NH3+ -169:sc= 0.987 (180deg=0.623) USER MOD Single : B 33 LYS NZ :NH3+ 157:sc= 1.29 (180deg=0.799) USER MOD Single : B 37 SER OG : rot 83:sc= 0.0367 USER MOD Single : B 44 TYR OH : rot 3:sc= 1.26 USER MOD Single : B 47 ASN : amide:sc= 0 X(o=0,f=-0.045) USER MOD Single : B 51 ASN : amide:sc= 1.05 K(o=1,f=0) USER MOD ----------------------------------------------------------------- ATOM 234 N THR A 15 13.480 0.039 -4.481 1.00 0.00 N ATOM 235 CA THR A 15 12.201 0.333 -3.875 1.00 0.00 C ATOM 236 C THR A 15 11.209 -0.729 -4.378 1.00 0.00 C ATOM 237 O THR A 15 11.540 -1.608 -5.180 1.00 0.00 O ATOM 238 CB THR A 15 11.802 1.783 -4.253 1.00 0.00 C ATOM 239 OG1 THR A 15 10.678 2.303 -3.578 1.00 0.00 O ATOM 240 CG2 THR A 15 11.468 1.949 -5.734 1.00 0.00 C ATOM 0 HA THR A 15 12.220 0.288 -2.786 1.00 0.00 H new ATOM 0 HB THR A 15 12.701 2.326 -3.960 1.00 0.00 H new ATOM 0 HG1 THR A 15 10.683 1.994 -2.648 1.00 0.00 H new ATOM 0 HG21 THR A 15 11.197 2.986 -5.932 1.00 0.00 H new ATOM 0 HG22 THR A 15 12.336 1.680 -6.335 1.00 0.00 H new ATOM 0 HG23 THR A 15 10.632 1.300 -5.993 1.00 0.00 H new ATOM 248 N VAL A 16 9.971 -0.635 -3.921 1.00 0.00 N ATOM 249 CA VAL A 16 8.895 -1.528 -4.298 1.00 0.00 C ATOM 250 C VAL A 16 7.871 -0.622 -4.933 1.00 0.00 C ATOM 251 O VAL A 16 7.561 0.413 -4.353 1.00 0.00 O ATOM 252 CB VAL A 16 8.302 -2.227 -3.062 1.00 0.00 C ATOM 253 CG1 VAL A 16 7.258 -3.277 -3.469 1.00 0.00 C ATOM 254 CG2 VAL A 16 9.390 -2.878 -2.218 1.00 0.00 C ATOM 0 H VAL A 16 9.682 0.086 -3.259 1.00 0.00 H new ATOM 0 HA VAL A 16 9.229 -2.322 -4.966 1.00 0.00 H new ATOM 0 HB VAL A 16 7.812 -1.460 -2.462 1.00 0.00 H new ATOM 0 HG11 VAL A 16 6.856 -3.755 -2.576 1.00 0.00 H new ATOM 0 HG12 VAL A 16 6.450 -2.793 -4.017 1.00 0.00 H new ATOM 0 HG13 VAL A 16 7.727 -4.029 -4.103 1.00 0.00 H new ATOM 0 HG21 VAL A 16 8.938 -3.363 -1.353 1.00 0.00 H new ATOM 0 HG22 VAL A 16 9.918 -3.621 -2.816 1.00 0.00 H new ATOM 0 HG23 VAL A 16 10.093 -2.117 -1.881 1.00 0.00 H new ATOM 264 N VAL A 17 7.384 -0.942 -6.123 1.00 0.00 N ATOM 265 CA VAL A 17 6.370 -0.146 -6.784 1.00 0.00 C ATOM 266 C VAL A 17 5.244 -1.141 -6.994 1.00 0.00 C ATOM 267 O VAL A 17 5.298 -2.021 -7.849 1.00 0.00 O ATOM 268 CB VAL A 17 6.909 0.595 -8.015 1.00 0.00 C ATOM 269 CG1 VAL A 17 7.365 -0.334 -9.135 1.00 0.00 C ATOM 270 CG2 VAL A 17 5.831 1.552 -8.530 1.00 0.00 C ATOM 0 H VAL A 17 7.683 -1.760 -6.654 1.00 0.00 H new ATOM 0 HA VAL A 17 6.005 0.707 -6.212 1.00 0.00 H new ATOM 0 HB VAL A 17 7.797 1.143 -7.700 1.00 0.00 H new ATOM 0 HG11 VAL A 17 7.733 0.259 -9.972 1.00 0.00 H new ATOM 0 HG12 VAL A 17 8.163 -0.981 -8.769 1.00 0.00 H new ATOM 0 HG13 VAL A 17 6.525 -0.945 -9.465 1.00 0.00 H new ATOM 0 HG21 VAL A 17 6.204 2.084 -9.405 1.00 0.00 H new ATOM 0 HG22 VAL A 17 4.941 0.985 -8.802 1.00 0.00 H new ATOM 0 HG23 VAL A 17 5.579 2.270 -7.750 1.00 0.00 H new ATOM 280 N ARG A 18 4.270 -1.081 -6.100 1.00 0.00 N ATOM 281 CA ARG A 18 3.122 -1.974 -6.145 1.00 0.00 C ATOM 282 C ARG A 18 1.863 -1.220 -5.788 1.00 0.00 C ATOM 283 O ARG A 18 1.927 -0.104 -5.267 1.00 0.00 O ATOM 284 CB ARG A 18 3.329 -3.174 -5.198 1.00 0.00 C ATOM 285 CG ARG A 18 4.244 -4.239 -5.815 1.00 0.00 C ATOM 286 CD ARG A 18 4.150 -5.552 -5.030 1.00 0.00 C ATOM 287 NE ARG A 18 4.754 -6.671 -5.774 1.00 0.00 N ATOM 288 CZ ARG A 18 4.187 -7.331 -6.793 1.00 0.00 C ATOM 289 NH1 ARG A 18 2.946 -7.043 -7.172 1.00 0.00 N ATOM 290 NH2 ARG A 18 4.836 -8.287 -7.443 1.00 0.00 N ATOM 0 H ARG A 18 4.252 -0.416 -5.327 1.00 0.00 H new ATOM 0 HA ARG A 18 3.019 -2.360 -7.159 1.00 0.00 H new ATOM 0 HB2 ARG A 18 3.759 -2.825 -4.259 1.00 0.00 H new ATOM 0 HB3 ARG A 18 2.363 -3.619 -4.960 1.00 0.00 H new ATOM 0 HG2 ARG A 18 3.963 -4.410 -6.854 1.00 0.00 H new ATOM 0 HG3 ARG A 18 5.274 -3.884 -5.818 1.00 0.00 H new ATOM 0 HD2 ARG A 18 4.652 -5.439 -4.069 1.00 0.00 H new ATOM 0 HD3 ARG A 18 3.105 -5.777 -4.819 1.00 0.00 H new ATOM 0 HE ARG A 18 5.686 -6.970 -5.488 1.00 0.00 H new ATOM 0 HH11 ARG A 18 2.420 -6.316 -6.686 1.00 0.00 H new ATOM 0 HH12 ARG A 18 2.520 -7.549 -7.948 1.00 0.00 H new ATOM 0 HH21 ARG A 18 5.787 -8.534 -7.170 1.00 0.00 H new ATOM 0 HH22 ARG A 18 4.384 -8.776 -8.216 1.00 0.00 H new ATOM 304 N THR A 19 0.736 -1.844 -6.098 1.00 0.00 N ATOM 305 CA THR A 19 -0.593 -1.338 -5.845 1.00 0.00 C ATOM 306 C THR A 19 -1.213 -2.198 -4.756 1.00 0.00 C ATOM 307 O THR A 19 -0.909 -3.387 -4.630 1.00 0.00 O ATOM 308 CB THR A 19 -1.449 -1.362 -7.133 1.00 0.00 C ATOM 309 OG1 THR A 19 -0.948 -2.221 -8.146 1.00 0.00 O ATOM 310 CG2 THR A 19 -1.545 0.053 -7.690 1.00 0.00 C ATOM 0 H THR A 19 0.730 -2.757 -6.553 1.00 0.00 H new ATOM 0 HA THR A 19 -0.547 -0.299 -5.520 1.00 0.00 H new ATOM 0 HB THR A 19 -2.425 -1.754 -6.848 1.00 0.00 H new ATOM 0 HG1 THR A 19 -1.539 -2.186 -8.927 1.00 0.00 H new ATOM 0 HG21 THR A 19 -2.147 0.046 -8.599 1.00 0.00 H new ATOM 0 HG22 THR A 19 -2.011 0.704 -6.951 1.00 0.00 H new ATOM 0 HG23 THR A 19 -0.545 0.422 -7.920 1.00 0.00 H new ATOM 318 N LEU A 20 -2.076 -1.581 -3.955 1.00 0.00 N ATOM 319 CA LEU A 20 -2.797 -2.220 -2.873 1.00 0.00 C ATOM 320 C LEU A 20 -4.161 -1.575 -2.802 1.00 0.00 C ATOM 321 O LEU A 20 -4.260 -0.365 -2.588 1.00 0.00 O ATOM 322 CB LEU A 20 -2.130 -2.056 -1.495 1.00 0.00 C ATOM 323 CG LEU A 20 -0.855 -2.868 -1.254 1.00 0.00 C ATOM 324 CD1 LEU A 20 -0.333 -2.546 0.150 1.00 0.00 C ATOM 325 CD2 LEU A 20 -1.106 -4.379 -1.347 1.00 0.00 C ATOM 0 H LEU A 20 -2.296 -0.589 -4.049 1.00 0.00 H new ATOM 0 HA LEU A 20 -2.828 -3.288 -3.087 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -1.895 -1.001 -1.353 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -2.857 -2.327 -0.729 1.00 0.00 H new ATOM 0 HG LEU A 20 -0.132 -2.599 -2.024 1.00 0.00 H new ATOM 0 HD11 LEU A 20 0.576 -3.116 0.340 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -0.115 -1.480 0.222 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -1.089 -2.812 0.889 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -0.173 -4.914 -1.169 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -1.841 -4.672 -0.598 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -1.482 -4.625 -2.340 1.00 0.00 H new ATOM 337 N ARG A 21 -5.207 -2.326 -3.116 1.00 0.00 N ATOM 338 CA ARG A 21 -6.569 -1.826 -3.044 1.00 0.00 C ATOM 339 C ARG A 21 -7.058 -2.037 -1.614 1.00 0.00 C ATOM 340 O ARG A 21 -6.629 -2.981 -0.937 1.00 0.00 O ATOM 341 CB ARG A 21 -7.473 -2.542 -4.057 1.00 0.00 C ATOM 342 CG ARG A 21 -6.921 -2.407 -5.486 1.00 0.00 C ATOM 343 CD ARG A 21 -8.007 -2.268 -6.546 1.00 0.00 C ATOM 344 NE ARG A 21 -8.910 -3.431 -6.605 1.00 0.00 N ATOM 345 CZ ARG A 21 -9.615 -3.795 -7.682 1.00 0.00 C ATOM 346 NH1 ARG A 21 -9.497 -3.124 -8.824 1.00 0.00 N ATOM 347 NH2 ARG A 21 -10.426 -4.841 -7.603 1.00 0.00 N ATOM 0 H ARG A 21 -5.134 -3.295 -3.426 1.00 0.00 H new ATOM 0 HA ARG A 21 -6.600 -0.767 -3.298 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -7.555 -3.597 -3.794 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -8.478 -2.123 -4.011 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -6.265 -1.538 -5.533 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -6.310 -3.280 -5.715 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -8.592 -1.371 -6.342 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -7.539 -2.129 -7.521 1.00 0.00 H new ATOM 0 HE ARG A 21 -9.004 -4.000 -5.764 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -8.865 -2.325 -8.883 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -10.038 -3.408 -9.641 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -10.507 -5.358 -6.728 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -10.969 -5.128 -8.417 1.00 0.00 H new ATOM 361 N PHE A 22 -7.982 -1.200 -1.163 1.00 0.00 N ATOM 362 CA PHE A 22 -8.585 -1.236 0.166 1.00 0.00 C ATOM 363 C PHE A 22 -10.089 -1.108 -0.067 1.00 0.00 C ATOM 364 O PHE A 22 -10.482 -0.406 -1.004 1.00 0.00 O ATOM 365 CB PHE A 22 -7.991 -0.116 1.039 1.00 0.00 C ATOM 366 CG PHE A 22 -6.509 -0.294 1.346 1.00 0.00 C ATOM 367 CD1 PHE A 22 -5.534 0.126 0.417 1.00 0.00 C ATOM 368 CD2 PHE A 22 -6.093 -0.890 2.555 1.00 0.00 C ATOM 369 CE1 PHE A 22 -4.165 -0.074 0.675 1.00 0.00 C ATOM 370 CE2 PHE A 22 -4.723 -1.054 2.827 1.00 0.00 C ATOM 371 CZ PHE A 22 -3.759 -0.656 1.887 1.00 0.00 C ATOM 0 H PHE A 22 -8.350 -0.442 -1.738 1.00 0.00 H new ATOM 0 HA PHE A 22 -8.380 -2.157 0.712 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -8.136 0.840 0.535 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -8.543 -0.068 1.977 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -5.841 0.605 -0.501 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -6.828 -1.221 3.273 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -3.428 0.220 -0.058 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -4.410 -1.489 3.765 1.00 0.00 H new ATOM 0 HZ PHE A 22 -2.709 -0.797 2.095 1.00 0.00 H new ATOM 381 N SER A 23 -10.929 -1.840 0.668 1.00 0.00 N ATOM 382 CA SER A 23 -12.386 -1.778 0.504 1.00 0.00 C ATOM 383 C SER A 23 -12.898 -0.379 0.939 1.00 0.00 C ATOM 384 O SER A 23 -12.108 0.406 1.463 1.00 0.00 O ATOM 385 CB SER A 23 -13.056 -2.978 1.211 1.00 0.00 C ATOM 386 OG SER A 23 -12.178 -4.080 1.393 1.00 0.00 O ATOM 0 H SER A 23 -10.622 -2.490 1.391 1.00 0.00 H new ATOM 0 HA SER A 23 -12.669 -1.880 -0.544 1.00 0.00 H new ATOM 0 HB2 SER A 23 -13.431 -2.656 2.182 1.00 0.00 H new ATOM 0 HB3 SER A 23 -13.918 -3.301 0.627 1.00 0.00 H new ATOM 0 HG SER A 23 -12.655 -4.807 1.845 1.00 0.00 H new ATOM 392 N PRO A 24 -14.185 -0.024 0.754 1.00 0.00 N ATOM 393 CA PRO A 24 -14.680 1.306 1.118 1.00 0.00 C ATOM 394 C PRO A 24 -14.588 1.587 2.616 1.00 0.00 C ATOM 395 O PRO A 24 -14.210 2.685 3.021 1.00 0.00 O ATOM 396 CB PRO A 24 -16.124 1.378 0.610 1.00 0.00 C ATOM 397 CG PRO A 24 -16.549 -0.077 0.454 1.00 0.00 C ATOM 398 CD PRO A 24 -15.249 -0.827 0.174 1.00 0.00 C ATOM 0 HA PRO A 24 -14.060 2.077 0.661 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -16.767 1.905 1.315 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -16.185 1.913 -0.338 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -17.035 -0.448 1.357 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -17.261 -0.197 -0.363 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -15.271 -1.823 0.617 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -15.098 -0.958 -0.898 1.00 0.00 H new ATOM 406 N VAL A 25 -14.941 0.597 3.431 1.00 0.00 N ATOM 407 CA VAL A 25 -14.912 0.699 4.880 1.00 0.00 C ATOM 408 C VAL A 25 -13.462 0.821 5.359 1.00 0.00 C ATOM 409 O VAL A 25 -13.172 1.612 6.252 1.00 0.00 O ATOM 410 CB VAL A 25 -15.602 -0.550 5.467 1.00 0.00 C ATOM 411 CG1 VAL A 25 -15.743 -0.478 6.990 1.00 0.00 C ATOM 412 CG2 VAL A 25 -17.006 -0.746 4.881 1.00 0.00 C ATOM 0 H VAL A 25 -15.260 -0.311 3.094 1.00 0.00 H new ATOM 0 HA VAL A 25 -15.445 1.588 5.218 1.00 0.00 H new ATOM 0 HB VAL A 25 -14.958 -1.388 5.200 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -16.235 -1.381 7.353 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -14.755 -0.395 7.443 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -16.340 0.393 7.259 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -17.462 -1.635 5.317 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -17.620 0.125 5.108 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -16.935 -0.868 3.800 1.00 0.00 H new ATOM 422 N GLU A 26 -12.559 0.063 4.735 1.00 0.00 N ATOM 423 CA GLU A 26 -11.140 0.018 5.060 1.00 0.00 C ATOM 424 C GLU A 26 -10.466 1.346 4.753 1.00 0.00 C ATOM 425 O GLU A 26 -9.663 1.824 5.552 1.00 0.00 O ATOM 426 CB GLU A 26 -10.452 -1.111 4.289 1.00 0.00 C ATOM 427 CG GLU A 26 -11.253 -2.411 4.234 1.00 0.00 C ATOM 428 CD GLU A 26 -11.538 -3.139 5.545 1.00 0.00 C ATOM 429 OE1 GLU A 26 -11.709 -2.519 6.615 1.00 0.00 O ATOM 430 OE2 GLU A 26 -11.633 -4.386 5.450 1.00 0.00 O ATOM 0 H GLU A 26 -12.808 -0.556 3.964 1.00 0.00 H new ATOM 0 HA GLU A 26 -11.046 -0.174 6.129 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -10.257 -0.774 3.271 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -9.485 -1.313 4.749 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -12.210 -2.193 3.760 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -10.722 -3.101 3.578 1.00 0.00 H new ATOM 437 N ASP A 27 -10.779 1.926 3.587 1.00 0.00 N ATOM 438 CA ASP A 27 -10.210 3.207 3.191 1.00 0.00 C ATOM 439 C ASP A 27 -10.637 4.242 4.192 1.00 0.00 C ATOM 440 O ASP A 27 -9.796 4.957 4.699 1.00 0.00 O ATOM 441 CB ASP A 27 -10.691 3.680 1.819 1.00 0.00 C ATOM 442 CG ASP A 27 -9.965 4.978 1.414 1.00 0.00 C ATOM 443 OD1 ASP A 27 -8.711 4.977 1.438 1.00 0.00 O ATOM 444 OD2 ASP A 27 -10.629 5.963 1.006 1.00 0.00 O ATOM 0 H ASP A 27 -11.423 1.523 2.906 1.00 0.00 H new ATOM 0 HA ASP A 27 -9.129 3.077 3.146 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -10.507 2.905 1.075 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -11.767 3.850 1.842 1.00 0.00 H new ATOM 449 N GLU A 28 -11.929 4.291 4.499 1.00 0.00 N ATOM 450 CA GLU A 28 -12.493 5.228 5.443 1.00 0.00 C ATOM 451 C GLU A 28 -11.745 5.177 6.778 1.00 0.00 C ATOM 452 O GLU A 28 -11.422 6.238 7.306 1.00 0.00 O ATOM 453 CB GLU A 28 -13.981 4.914 5.535 1.00 0.00 C ATOM 454 CG GLU A 28 -14.762 5.790 6.502 1.00 0.00 C ATOM 455 CD GLU A 28 -16.226 5.391 6.408 1.00 0.00 C ATOM 456 OE1 GLU A 28 -16.570 4.284 6.885 1.00 0.00 O ATOM 457 OE2 GLU A 28 -17.016 6.184 5.849 1.00 0.00 O ATOM 0 H GLU A 28 -12.621 3.665 4.086 1.00 0.00 H new ATOM 0 HA GLU A 28 -12.379 6.262 5.118 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -14.420 5.013 4.542 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -14.100 3.873 5.834 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -14.394 5.658 7.520 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -14.636 6.843 6.251 1.00 0.00 H new ATOM 464 N THR A 29 -11.428 3.986 7.294 1.00 0.00 N ATOM 465 CA THR A 29 -10.703 3.835 8.548 1.00 0.00 C ATOM 466 C THR A 29 -9.285 4.385 8.391 1.00 0.00 C ATOM 467 O THR A 29 -8.877 5.270 9.142 1.00 0.00 O ATOM 468 CB THR A 29 -10.667 2.347 8.953 1.00 0.00 C ATOM 469 OG1 THR A 29 -11.970 1.803 8.973 1.00 0.00 O ATOM 470 CG2 THR A 29 -10.024 2.103 10.323 1.00 0.00 C ATOM 0 H THR A 29 -11.670 3.101 6.849 1.00 0.00 H new ATOM 0 HA THR A 29 -11.210 4.396 9.333 1.00 0.00 H new ATOM 0 HB THR A 29 -10.052 1.856 8.199 1.00 0.00 H new ATOM 0 HG1 THR A 29 -12.297 1.703 8.055 1.00 0.00 H new ATOM 0 HG21 THR A 29 -10.032 1.036 10.544 1.00 0.00 H new ATOM 0 HG22 THR A 29 -8.995 2.463 10.311 1.00 0.00 H new ATOM 0 HG23 THR A 29 -10.587 2.636 11.089 1.00 0.00 H new ATOM 478 N ILE A 30 -8.537 3.895 7.396 1.00 0.00 N ATOM 479 CA ILE A 30 -7.161 4.322 7.166 1.00 0.00 C ATOM 480 C ILE A 30 -7.079 5.812 6.813 1.00 0.00 C ATOM 481 O ILE A 30 -6.064 6.469 7.020 1.00 0.00 O ATOM 482 CB ILE A 30 -6.477 3.417 6.124 1.00 0.00 C ATOM 483 CG1 ILE A 30 -6.395 1.977 6.680 1.00 0.00 C ATOM 484 CG2 ILE A 30 -5.052 3.942 5.817 1.00 0.00 C ATOM 485 CD1 ILE A 30 -6.091 0.910 5.621 1.00 0.00 C ATOM 0 H ILE A 30 -8.870 3.195 6.733 1.00 0.00 H new ATOM 0 HA ILE A 30 -6.607 4.208 8.098 1.00 0.00 H new ATOM 0 HB ILE A 30 -7.059 3.423 5.202 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -5.623 1.940 7.449 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -7.340 1.732 7.165 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -4.577 3.295 5.079 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -5.115 4.956 5.423 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -4.460 3.944 6.732 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -6.051 -0.071 6.094 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -6.875 0.916 4.863 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -5.131 1.126 5.152 1.00 0.00 H new ATOM 497 N ARG A 31 -8.129 6.385 6.265 1.00 0.00 N ATOM 498 CA ARG A 31 -8.178 7.786 5.896 1.00 0.00 C ATOM 499 C ARG A 31 -8.405 8.591 7.172 1.00 0.00 C ATOM 500 O ARG A 31 -7.697 9.570 7.390 1.00 0.00 O ATOM 501 CB ARG A 31 -9.256 7.890 4.815 1.00 0.00 C ATOM 502 CG ARG A 31 -9.354 9.177 4.005 1.00 0.00 C ATOM 503 CD ARG A 31 -10.113 8.776 2.730 1.00 0.00 C ATOM 504 NE ARG A 31 -10.514 9.924 1.923 1.00 0.00 N ATOM 505 CZ ARG A 31 -10.856 9.866 0.635 1.00 0.00 C ATOM 506 NH1 ARG A 31 -10.924 8.704 -0.016 1.00 0.00 N ATOM 507 NH2 ARG A 31 -11.169 11.002 0.024 1.00 0.00 N ATOM 0 H ARG A 31 -8.991 5.880 6.059 1.00 0.00 H new ATOM 0 HA ARG A 31 -7.265 8.199 5.468 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -9.103 7.069 4.115 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -10.222 7.725 5.293 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -9.886 9.952 4.556 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -8.366 9.574 3.770 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -9.484 8.119 2.130 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -10.999 8.204 3.005 1.00 0.00 H new ATOM 0 HE ARG A 31 -10.534 10.837 2.377 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -10.712 7.833 0.471 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -11.188 8.686 -1.001 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -11.143 11.882 0.539 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -11.435 10.995 -0.961 1.00 0.00 H new ATOM 521 N LYS A 32 -9.338 8.171 8.033 1.00 0.00 N ATOM 522 CA LYS A 32 -9.639 8.857 9.282 1.00 0.00 C ATOM 523 C LYS A 32 -8.509 8.761 10.293 1.00 0.00 C ATOM 524 O LYS A 32 -8.163 9.785 10.874 1.00 0.00 O ATOM 525 CB LYS A 32 -10.936 8.328 9.930 1.00 0.00 C ATOM 526 CG LYS A 32 -12.141 9.225 9.627 1.00 0.00 C ATOM 527 CD LYS A 32 -12.708 9.041 8.217 1.00 0.00 C ATOM 528 CE LYS A 32 -13.633 10.223 7.908 1.00 0.00 C ATOM 529 NZ LYS A 32 -14.594 9.924 6.826 1.00 0.00 N ATOM 0 H LYS A 32 -9.907 7.339 7.876 1.00 0.00 H new ATOM 0 HA LYS A 32 -9.770 9.904 9.010 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -11.136 7.319 9.568 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -10.799 8.258 11.009 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -12.927 9.020 10.354 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -11.849 10.267 9.758 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -11.900 8.991 7.487 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -13.257 8.102 8.149 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -14.180 10.497 8.810 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -13.031 11.087 7.626 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -15.195 10.755 6.656 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -14.075 9.689 5.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -15.189 9.117 7.103 1.00 0.00 H new ATOM 543 N LYS A 33 -7.924 7.586 10.544 1.00 0.00 N ATOM 544 CA LYS A 33 -6.867 7.469 11.545 1.00 0.00 C ATOM 545 C LYS A 33 -5.599 8.194 11.114 1.00 0.00 C ATOM 546 O LYS A 33 -4.942 8.795 11.961 1.00 0.00 O ATOM 547 CB LYS A 33 -6.653 5.987 11.912 1.00 0.00 C ATOM 548 CG LYS A 33 -6.117 5.770 13.329 1.00 0.00 C ATOM 549 CD LYS A 33 -7.173 6.173 14.358 1.00 0.00 C ATOM 550 CE LYS A 33 -6.881 5.597 15.739 1.00 0.00 C ATOM 551 NZ LYS A 33 -7.975 5.962 16.650 1.00 0.00 N ATOM 0 H LYS A 33 -8.163 6.714 10.073 1.00 0.00 H new ATOM 0 HA LYS A 33 -7.177 7.976 12.459 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -7.599 5.457 11.807 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -5.958 5.543 11.199 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -5.845 4.724 13.467 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -5.211 6.357 13.477 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -7.219 7.260 14.422 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -8.153 5.832 14.024 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -6.784 4.513 15.682 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -5.933 5.982 16.115 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -7.784 5.573 17.595 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -8.046 6.998 16.710 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -8.870 5.574 16.290 1.00 0.00 H new ATOM 565 N ALA A 34 -5.296 8.222 9.818 1.00 0.00 N ATOM 566 CA ALA A 34 -4.131 8.876 9.242 1.00 0.00 C ATOM 567 C ALA A 34 -4.289 10.379 9.427 1.00 0.00 C ATOM 568 O ALA A 34 -3.425 11.047 9.996 1.00 0.00 O ATOM 569 CB ALA A 34 -4.027 8.515 7.753 1.00 0.00 C ATOM 0 H ALA A 34 -5.881 7.770 9.115 1.00 0.00 H new ATOM 0 HA ALA A 34 -3.217 8.546 9.736 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -3.155 9.004 7.320 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -3.927 7.435 7.647 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -4.925 8.849 7.234 1.00 0.00 H new ATOM 575 N GLU A 35 -5.416 10.900 8.946 1.00 0.00 N ATOM 576 CA GLU A 35 -5.738 12.318 9.012 1.00 0.00 C ATOM 577 C GLU A 35 -5.792 12.808 10.465 1.00 0.00 C ATOM 578 O GLU A 35 -5.293 13.894 10.762 1.00 0.00 O ATOM 579 CB GLU A 35 -7.030 12.568 8.225 1.00 0.00 C ATOM 580 CG GLU A 35 -7.200 14.032 7.816 1.00 0.00 C ATOM 581 CD GLU A 35 -8.404 14.206 6.890 1.00 0.00 C ATOM 582 OE1 GLU A 35 -8.358 13.748 5.722 1.00 0.00 O ATOM 583 OE2 GLU A 35 -9.395 14.830 7.327 1.00 0.00 O ATOM 0 H GLU A 35 -6.138 10.339 8.494 1.00 0.00 H new ATOM 0 HA GLU A 35 -4.949 12.909 8.546 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -7.033 11.943 7.332 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -7.884 12.263 8.830 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -7.328 14.649 8.705 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -6.297 14.380 7.314 1.00 0.00 H new ATOM 590 N ASP A 36 -6.350 12.008 11.378 1.00 0.00 N ATOM 591 CA ASP A 36 -6.463 12.317 12.802 1.00 0.00 C ATOM 592 C ASP A 36 -5.078 12.399 13.428 1.00 0.00 C ATOM 593 O ASP A 36 -4.805 13.295 14.221 1.00 0.00 O ATOM 594 CB ASP A 36 -7.274 11.229 13.512 1.00 0.00 C ATOM 595 CG ASP A 36 -7.251 11.385 15.032 1.00 0.00 C ATOM 596 OD1 ASP A 36 -7.979 12.261 15.551 1.00 0.00 O ATOM 597 OD2 ASP A 36 -6.616 10.541 15.711 1.00 0.00 O ATOM 0 H ASP A 36 -6.747 11.100 11.137 1.00 0.00 H new ATOM 0 HA ASP A 36 -6.969 13.276 12.912 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -8.306 11.261 13.162 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -6.877 10.250 13.244 1.00 0.00 H new ATOM 602 N SER A 37 -4.199 11.476 13.038 1.00 0.00 N ATOM 603 CA SER A 37 -2.843 11.395 13.538 1.00 0.00 C ATOM 604 C SER A 37 -1.905 12.404 12.869 1.00 0.00 C ATOM 605 O SER A 37 -0.767 12.562 13.317 1.00 0.00 O ATOM 606 CB SER A 37 -2.332 9.961 13.366 1.00 0.00 C ATOM 607 OG SER A 37 -3.201 9.056 14.020 1.00 0.00 O ATOM 0 H SER A 37 -4.422 10.754 12.353 1.00 0.00 H new ATOM 0 HA SER A 37 -2.854 11.657 14.596 1.00 0.00 H new ATOM 0 HB2 SER A 37 -2.267 9.714 12.306 1.00 0.00 H new ATOM 0 HB3 SER A 37 -1.326 9.873 13.776 1.00 0.00 H new ATOM 0 HG SER A 37 -3.866 8.722 13.382 1.00 0.00 H new ATOM 613 N GLY A 38 -2.336 13.099 11.813 1.00 0.00 N ATOM 614 CA GLY A 38 -1.503 14.074 11.125 1.00 0.00 C ATOM 615 C GLY A 38 -0.428 13.441 10.238 1.00 0.00 C ATOM 616 O GLY A 38 0.519 14.123 9.849 1.00 0.00 O ATOM 0 H GLY A 38 -3.270 12.998 11.416 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -2.138 14.714 10.512 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -1.022 14.715 11.864 1.00 0.00 H new ATOM 620 N LEU A 39 -0.516 12.139 9.955 1.00 0.00 N ATOM 621 CA LEU A 39 0.404 11.389 9.117 1.00 0.00 C ATOM 622 C LEU A 39 -0.435 10.947 7.941 1.00 0.00 C ATOM 623 O LEU A 39 -1.387 10.201 8.145 1.00 0.00 O ATOM 624 CB LEU A 39 0.958 10.125 9.802 1.00 0.00 C ATOM 625 CG LEU A 39 2.007 10.300 10.909 1.00 0.00 C ATOM 626 CD1 LEU A 39 2.667 8.936 11.144 1.00 0.00 C ATOM 627 CD2 LEU A 39 3.101 11.315 10.564 1.00 0.00 C ATOM 0 H LEU A 39 -1.268 11.558 10.325 1.00 0.00 H new ATOM 0 HA LEU A 39 1.265 12.009 8.865 1.00 0.00 H new ATOM 0 HB2 LEU A 39 0.115 9.579 10.226 1.00 0.00 H new ATOM 0 HB3 LEU A 39 1.392 9.491 9.029 1.00 0.00 H new ATOM 0 HG LEU A 39 1.493 10.680 11.792 1.00 0.00 H new ATOM 0 HD11 LEU A 39 3.420 9.026 11.927 1.00 0.00 H new ATOM 0 HD12 LEU A 39 1.910 8.213 11.449 1.00 0.00 H new ATOM 0 HD13 LEU A 39 3.141 8.598 10.223 1.00 0.00 H new ATOM 0 HD21 LEU A 39 3.806 11.386 11.392 1.00 0.00 H new ATOM 0 HD22 LEU A 39 3.627 10.991 9.666 1.00 0.00 H new ATOM 0 HD23 LEU A 39 2.649 12.291 10.388 1.00 0.00 H new ATOM 639 N THR A 40 -0.120 11.403 6.731 1.00 0.00 N ATOM 640 CA THR A 40 -0.862 11.013 5.539 1.00 0.00 C ATOM 641 C THR A 40 -0.920 9.480 5.450 1.00 0.00 C ATOM 642 O THR A 40 -0.053 8.781 5.983 1.00 0.00 O ATOM 643 CB THR A 40 -0.192 11.647 4.309 1.00 0.00 C ATOM 644 OG1 THR A 40 -0.896 11.332 3.128 1.00 0.00 O ATOM 645 CG2 THR A 40 1.261 11.188 4.146 1.00 0.00 C ATOM 0 H THR A 40 0.650 12.047 6.552 1.00 0.00 H new ATOM 0 HA THR A 40 -1.890 11.373 5.584 1.00 0.00 H new ATOM 0 HB THR A 40 -0.207 12.724 4.474 1.00 0.00 H new ATOM 0 HG1 THR A 40 -0.451 11.748 2.361 1.00 0.00 H new ATOM 0 HG21 THR A 40 1.695 11.660 3.265 1.00 0.00 H new ATOM 0 HG22 THR A 40 1.833 11.472 5.029 1.00 0.00 H new ATOM 0 HG23 THR A 40 1.289 10.105 4.028 1.00 0.00 H new ATOM 653 N VAL A 41 -1.910 8.959 4.726 1.00 0.00 N ATOM 654 CA VAL A 41 -2.146 7.536 4.527 1.00 0.00 C ATOM 655 C VAL A 41 -0.851 6.793 4.191 1.00 0.00 C ATOM 656 O VAL A 41 -0.610 5.729 4.753 1.00 0.00 O ATOM 657 CB VAL A 41 -3.234 7.360 3.448 1.00 0.00 C ATOM 658 CG1 VAL A 41 -3.409 5.902 3.002 1.00 0.00 C ATOM 659 CG2 VAL A 41 -4.586 7.909 3.933 1.00 0.00 C ATOM 0 H VAL A 41 -2.594 9.542 4.245 1.00 0.00 H new ATOM 0 HA VAL A 41 -2.505 7.089 5.454 1.00 0.00 H new ATOM 0 HB VAL A 41 -2.891 7.931 2.585 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -4.188 5.845 2.242 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -2.471 5.533 2.588 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -3.692 5.291 3.859 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -5.335 7.772 3.153 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -4.895 7.374 4.831 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -4.488 8.971 4.159 1.00 0.00 H new ATOM 669 N SER A 42 0.003 7.326 3.312 1.00 0.00 N ATOM 670 CA SER A 42 1.240 6.646 2.955 1.00 0.00 C ATOM 671 C SER A 42 2.134 6.425 4.195 1.00 0.00 C ATOM 672 O SER A 42 2.589 5.300 4.439 1.00 0.00 O ATOM 673 CB SER A 42 1.912 7.414 1.805 1.00 0.00 C ATOM 674 OG SER A 42 2.292 8.712 2.219 1.00 0.00 O ATOM 0 H SER A 42 -0.142 8.219 2.841 1.00 0.00 H new ATOM 0 HA SER A 42 1.037 5.640 2.588 1.00 0.00 H new ATOM 0 HB2 SER A 42 2.789 6.866 1.460 1.00 0.00 H new ATOM 0 HB3 SER A 42 1.227 7.483 0.960 1.00 0.00 H new ATOM 0 HG SER A 42 2.719 9.182 1.472 1.00 0.00 H new ATOM 680 N ALA A 43 2.374 7.482 4.981 1.00 0.00 N ATOM 681 CA ALA A 43 3.182 7.437 6.197 1.00 0.00 C ATOM 682 C ALA A 43 2.519 6.522 7.223 1.00 0.00 C ATOM 683 O ALA A 43 3.200 5.729 7.865 1.00 0.00 O ATOM 684 CB ALA A 43 3.365 8.831 6.803 1.00 0.00 C ATOM 0 H ALA A 43 2.002 8.410 4.781 1.00 0.00 H new ATOM 0 HA ALA A 43 4.165 7.050 5.930 1.00 0.00 H new ATOM 0 HB1 ALA A 43 3.971 8.758 7.706 1.00 0.00 H new ATOM 0 HB2 ALA A 43 3.864 9.478 6.082 1.00 0.00 H new ATOM 0 HB3 ALA A 43 2.390 9.250 7.053 1.00 0.00 H new ATOM 690 N TYR A 44 1.196 6.619 7.368 1.00 0.00 N ATOM 691 CA TYR A 44 0.441 5.798 8.294 1.00 0.00 C ATOM 692 C TYR A 44 0.676 4.320 7.969 1.00 0.00 C ATOM 693 O TYR A 44 1.097 3.563 8.836 1.00 0.00 O ATOM 694 CB TYR A 44 -1.038 6.178 8.255 1.00 0.00 C ATOM 695 CG TYR A 44 -1.853 5.319 9.192 1.00 0.00 C ATOM 696 CD1 TYR A 44 -2.041 5.705 10.534 1.00 0.00 C ATOM 697 CD2 TYR A 44 -2.398 4.110 8.724 1.00 0.00 C ATOM 698 CE1 TYR A 44 -2.785 4.889 11.406 1.00 0.00 C ATOM 699 CE2 TYR A 44 -3.150 3.300 9.586 1.00 0.00 C ATOM 700 CZ TYR A 44 -3.339 3.675 10.939 1.00 0.00 C ATOM 701 OH TYR A 44 -4.089 2.906 11.773 1.00 0.00 O ATOM 0 H TYR A 44 0.622 7.276 6.839 1.00 0.00 H new ATOM 0 HA TYR A 44 0.783 5.973 9.314 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -1.153 7.227 8.528 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -1.416 6.070 7.238 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -1.613 6.629 10.894 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -2.237 3.806 7.700 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -2.933 5.190 12.433 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -3.588 2.385 9.217 1.00 0.00 H new ATOM 0 HH TYR A 44 -4.599 2.255 11.247 1.00 0.00 H new ATOM 711 N ILE A 45 0.458 3.918 6.711 1.00 0.00 N ATOM 712 CA ILE A 45 0.622 2.543 6.247 1.00 0.00 C ATOM 713 C ILE A 45 2.015 2.006 6.577 1.00 0.00 C ATOM 714 O ILE A 45 2.135 0.927 7.153 1.00 0.00 O ATOM 715 CB ILE A 45 0.293 2.448 4.732 1.00 0.00 C ATOM 716 CG1 ILE A 45 -1.207 2.598 4.411 1.00 0.00 C ATOM 717 CG2 ILE A 45 0.801 1.135 4.111 1.00 0.00 C ATOM 718 CD1 ILE A 45 -2.068 1.506 5.026 1.00 0.00 C ATOM 0 H ILE A 45 0.156 4.556 5.975 1.00 0.00 H new ATOM 0 HA ILE A 45 -0.085 1.906 6.779 1.00 0.00 H new ATOM 0 HB ILE A 45 0.818 3.294 4.289 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -1.552 3.568 4.769 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -1.342 2.591 3.329 1.00 0.00 H new ATOM 0 HG21 ILE A 45 0.549 1.112 3.051 1.00 0.00 H new ATOM 0 HG22 ILE A 45 1.883 1.072 4.228 1.00 0.00 H new ATOM 0 HG23 ILE A 45 0.332 0.289 4.614 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -3.112 1.673 4.760 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -1.748 0.535 4.649 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -1.962 1.527 6.111 1.00 0.00 H new ATOM 730 N ARG A 46 3.078 2.698 6.158 1.00 0.00 N ATOM 731 CA ARG A 46 4.442 2.240 6.430 1.00 0.00 C ATOM 732 C ARG A 46 4.710 2.152 7.924 1.00 0.00 C ATOM 733 O ARG A 46 5.158 1.108 8.384 1.00 0.00 O ATOM 734 CB ARG A 46 5.494 3.035 5.644 1.00 0.00 C ATOM 735 CG ARG A 46 5.675 4.498 6.065 1.00 0.00 C ATOM 736 CD ARG A 46 6.406 5.244 4.953 1.00 0.00 C ATOM 737 NE ARG A 46 7.168 6.409 5.422 1.00 0.00 N ATOM 738 CZ ARG A 46 8.186 6.945 4.741 1.00 0.00 C ATOM 739 NH1 ARG A 46 8.561 6.428 3.578 1.00 0.00 N ATOM 740 NH2 ARG A 46 8.850 7.986 5.220 1.00 0.00 N ATOM 0 H ARG A 46 3.021 3.571 5.633 1.00 0.00 H new ATOM 0 HA ARG A 46 4.534 1.221 6.054 1.00 0.00 H new ATOM 0 HB2 ARG A 46 6.454 2.527 5.741 1.00 0.00 H new ATOM 0 HB3 ARG A 46 5.226 3.011 4.588 1.00 0.00 H new ATOM 0 HG2 ARG A 46 4.705 4.959 6.254 1.00 0.00 H new ATOM 0 HG3 ARG A 46 6.242 4.556 6.994 1.00 0.00 H new ATOM 0 HD2 ARG A 46 7.086 4.555 4.452 1.00 0.00 H new ATOM 0 HD3 ARG A 46 5.679 5.572 4.210 1.00 0.00 H new ATOM 0 HE ARG A 46 6.907 6.831 6.313 1.00 0.00 H new ATOM 0 HH11 ARG A 46 8.072 5.617 3.199 1.00 0.00 H new ATOM 0 HH12 ARG A 46 9.338 6.841 3.063 1.00 0.00 H new ATOM 0 HH21 ARG A 46 8.587 8.389 6.119 1.00 0.00 H new ATOM 0 HH22 ARG A 46 9.625 8.385 4.690 1.00 0.00 H new ATOM 754 N ASN A 47 4.421 3.209 8.678 1.00 0.00 N ATOM 755 CA ASN A 47 4.642 3.246 10.115 1.00 0.00 C ATOM 756 C ASN A 47 3.931 2.080 10.794 1.00 0.00 C ATOM 757 O ASN A 47 4.605 1.255 11.408 1.00 0.00 O ATOM 758 CB ASN A 47 4.214 4.611 10.678 1.00 0.00 C ATOM 759 CG ASN A 47 4.312 4.651 12.196 1.00 0.00 C ATOM 760 OD1 ASN A 47 5.404 4.691 12.758 1.00 0.00 O ATOM 761 ND2 ASN A 47 3.180 4.667 12.872 1.00 0.00 N ATOM 0 H ASN A 47 4.023 4.070 8.303 1.00 0.00 H new ATOM 0 HA ASN A 47 5.705 3.130 10.325 1.00 0.00 H new ATOM 0 HB2 ASN A 47 4.843 5.393 10.252 1.00 0.00 H new ATOM 0 HB3 ASN A 47 3.189 4.825 10.374 1.00 0.00 H new ATOM 0 HD21 ASN A 47 3.195 4.714 13.891 1.00 0.00 H new ATOM 0 HD22 ASN A 47 2.289 4.633 12.376 1.00 0.00 H new ATOM 768 N ALA A 48 2.611 1.976 10.634 1.00 0.00 N ATOM 769 CA ALA A 48 1.795 0.932 11.238 1.00 0.00 C ATOM 770 C ALA A 48 2.246 -0.479 10.865 1.00 0.00 C ATOM 771 O ALA A 48 2.113 -1.385 11.681 1.00 0.00 O ATOM 772 CB ALA A 48 0.326 1.135 10.845 1.00 0.00 C ATOM 0 H ALA A 48 2.072 2.631 10.068 1.00 0.00 H new ATOM 0 HA ALA A 48 1.915 1.020 12.318 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -0.283 0.353 11.298 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -0.014 2.109 11.197 1.00 0.00 H new ATOM 0 HB3 ALA A 48 0.230 1.088 9.760 1.00 0.00 H new ATOM 778 N ALA A 49 2.790 -0.675 9.662 1.00 0.00 N ATOM 779 CA ALA A 49 3.232 -1.988 9.215 1.00 0.00 C ATOM 780 C ALA A 49 4.598 -2.415 9.760 1.00 0.00 C ATOM 781 O ALA A 49 4.839 -3.609 9.925 1.00 0.00 O ATOM 782 CB ALA A 49 3.310 -1.953 7.698 1.00 0.00 C ATOM 0 H ALA A 49 2.934 0.068 8.979 1.00 0.00 H new ATOM 0 HA ALA A 49 2.513 -2.715 9.592 1.00 0.00 H new ATOM 0 HB1 ALA A 49 3.639 -2.924 7.328 1.00 0.00 H new ATOM 0 HB2 ALA A 49 2.326 -1.723 7.288 1.00 0.00 H new ATOM 0 HB3 ALA A 49 4.020 -1.187 7.388 1.00 0.00 H new ATOM 788 N LEU A 50 5.522 -1.476 9.968 1.00 0.00 N ATOM 789 CA LEU A 50 6.872 -1.773 10.467 1.00 0.00 C ATOM 790 C LEU A 50 6.886 -1.899 11.986 1.00 0.00 C ATOM 791 O LEU A 50 7.708 -2.631 12.546 1.00 0.00 O ATOM 792 CB LEU A 50 7.826 -0.643 10.071 1.00 0.00 C ATOM 793 CG LEU A 50 7.937 -0.445 8.550 1.00 0.00 C ATOM 794 CD1 LEU A 50 8.365 0.995 8.303 1.00 0.00 C ATOM 795 CD2 LEU A 50 8.906 -1.428 7.901 1.00 0.00 C ATOM 0 H LEU A 50 5.358 -0.484 9.796 1.00 0.00 H new ATOM 0 HA LEU A 50 7.188 -2.719 10.028 1.00 0.00 H new ATOM 0 HB2 LEU A 50 7.486 0.287 10.527 1.00 0.00 H new ATOM 0 HB3 LEU A 50 8.816 -0.854 10.476 1.00 0.00 H new ATOM 0 HG LEU A 50 6.969 -0.643 8.090 1.00 0.00 H new ATOM 0 HD11 LEU A 50 8.453 1.169 7.231 1.00 0.00 H new ATOM 0 HD12 LEU A 50 7.620 1.673 8.721 1.00 0.00 H new ATOM 0 HD13 LEU A 50 9.328 1.175 8.781 1.00 0.00 H new ATOM 0 HD21 LEU A 50 8.946 -1.244 6.827 1.00 0.00 H new ATOM 0 HD22 LEU A 50 9.900 -1.296 8.329 1.00 0.00 H new ATOM 0 HD23 LEU A 50 8.566 -2.448 8.082 1.00 0.00 H new ATOM 807 N ASN A 51 6.027 -1.111 12.632 1.00 0.00 N ATOM 808 CA ASN A 51 5.858 -1.080 14.082 1.00 0.00 C ATOM 809 C ASN A 51 5.239 -2.399 14.520 1.00 0.00 C ATOM 810 O ASN A 51 4.004 -2.552 14.419 1.00 0.00 O ATOM 811 CB ASN A 51 4.988 0.105 14.534 1.00 0.00 C ATOM 812 CG ASN A 51 5.764 1.401 14.652 1.00 0.00 C ATOM 813 OD1 ASN A 51 5.958 1.945 15.735 1.00 0.00 O ATOM 814 ND2 ASN A 51 6.213 1.954 13.544 1.00 0.00 N ATOM 0 H ASN A 51 5.412 -0.458 12.146 1.00 0.00 H new ATOM 0 HA ASN A 51 6.833 -0.946 14.550 1.00 0.00 H new ATOM 0 HB2 ASN A 51 4.172 0.240 13.824 1.00 0.00 H new ATOM 0 HB3 ASN A 51 4.536 -0.130 15.498 1.00 0.00 H new ATOM 0 HD21 ASN A 51 6.723 2.836 13.585 1.00 0.00 H new ATOM 0 HD22 ASN A 51 6.050 1.500 12.645 1.00 0.00 H new ATOM 1055 N THR B 15 -13.655 1.033 -3.818 1.00 0.00 N ATOM 1056 CA THR B 15 -12.399 0.616 -3.247 1.00 0.00 C ATOM 1057 C THR B 15 -11.401 1.774 -3.437 1.00 0.00 C ATOM 1058 O THR B 15 -11.779 2.948 -3.507 1.00 0.00 O ATOM 1059 CB THR B 15 -12.052 -0.728 -3.927 1.00 0.00 C ATOM 1060 OG1 THR B 15 -10.983 -1.426 -3.327 1.00 0.00 O ATOM 1061 CG2 THR B 15 -11.755 -0.625 -5.429 1.00 0.00 C ATOM 0 HA THR B 15 -12.400 0.424 -2.174 1.00 0.00 H new ATOM 0 HB THR B 15 -12.975 -1.289 -3.783 1.00 0.00 H new ATOM 0 HG1 THR B 15 -11.013 -1.298 -2.356 1.00 0.00 H new ATOM 0 HG21 THR B 15 -11.522 -1.614 -5.822 1.00 0.00 H new ATOM 0 HG22 THR B 15 -12.627 -0.225 -5.946 1.00 0.00 H new ATOM 0 HG23 THR B 15 -10.904 0.038 -5.587 1.00 0.00 H new ATOM 1069 N VAL B 16 -10.113 1.462 -3.480 1.00 0.00 N ATOM 1070 CA VAL B 16 -9.037 2.417 -3.650 1.00 0.00 C ATOM 1071 C VAL B 16 -8.049 1.795 -4.618 1.00 0.00 C ATOM 1072 O VAL B 16 -7.944 0.568 -4.694 1.00 0.00 O ATOM 1073 CB VAL B 16 -8.349 2.664 -2.292 1.00 0.00 C ATOM 1074 CG1 VAL B 16 -7.334 3.815 -2.335 1.00 0.00 C ATOM 1075 CG2 VAL B 16 -9.338 2.985 -1.179 1.00 0.00 C ATOM 0 H VAL B 16 -9.781 0.501 -3.394 1.00 0.00 H new ATOM 0 HA VAL B 16 -9.409 3.370 -4.027 1.00 0.00 H new ATOM 0 HB VAL B 16 -7.839 1.724 -2.083 1.00 0.00 H new ATOM 0 HG11 VAL B 16 -6.884 3.940 -1.350 1.00 0.00 H new ATOM 0 HG12 VAL B 16 -6.556 3.587 -3.064 1.00 0.00 H new ATOM 0 HG13 VAL B 16 -7.841 4.736 -2.622 1.00 0.00 H new ATOM 0 HG21 VAL B 16 -8.797 3.149 -0.247 1.00 0.00 H new ATOM 0 HG22 VAL B 16 -9.897 3.884 -1.437 1.00 0.00 H new ATOM 0 HG23 VAL B 16 -10.029 2.151 -1.055 1.00 0.00 H new ATOM 1085 N VAL B 17 -7.315 2.630 -5.339 1.00 0.00 N ATOM 1086 CA VAL B 17 -6.301 2.199 -6.268 1.00 0.00 C ATOM 1087 C VAL B 17 -5.177 3.218 -6.105 1.00 0.00 C ATOM 1088 O VAL B 17 -5.336 4.389 -6.456 1.00 0.00 O ATOM 1089 CB VAL B 17 -6.885 1.976 -7.672 1.00 0.00 C ATOM 1090 CG1 VAL B 17 -7.249 3.263 -8.415 1.00 0.00 C ATOM 1091 CG2 VAL B 17 -5.914 1.113 -8.479 1.00 0.00 C ATOM 0 H VAL B 17 -7.416 3.644 -5.288 1.00 0.00 H new ATOM 0 HA VAL B 17 -5.884 1.211 -6.073 1.00 0.00 H new ATOM 0 HB VAL B 17 -7.837 1.459 -7.550 1.00 0.00 H new ATOM 0 HG11 VAL B 17 -7.654 3.015 -9.396 1.00 0.00 H new ATOM 0 HG12 VAL B 17 -7.996 3.814 -7.844 1.00 0.00 H new ATOM 0 HG13 VAL B 17 -6.357 3.878 -8.535 1.00 0.00 H new ATOM 0 HG21 VAL B 17 -6.318 0.948 -9.478 1.00 0.00 H new ATOM 0 HG22 VAL B 17 -4.953 1.621 -8.556 1.00 0.00 H new ATOM 0 HG23 VAL B 17 -5.778 0.154 -7.979 1.00 0.00 H new ATOM 1101 N ARG B 18 -4.101 2.832 -5.423 1.00 0.00 N ATOM 1102 CA ARG B 18 -2.959 3.714 -5.181 1.00 0.00 C ATOM 1103 C ARG B 18 -1.675 2.912 -5.085 1.00 0.00 C ATOM 1104 O ARG B 18 -1.696 1.741 -4.699 1.00 0.00 O ATOM 1105 CB ARG B 18 -3.172 4.548 -3.901 1.00 0.00 C ATOM 1106 CG ARG B 18 -3.911 5.868 -4.188 1.00 0.00 C ATOM 1107 CD ARG B 18 -3.614 6.911 -3.112 1.00 0.00 C ATOM 1108 NE ARG B 18 -4.058 8.269 -3.470 1.00 0.00 N ATOM 1109 CZ ARG B 18 -3.370 9.173 -4.180 1.00 0.00 C ATOM 1110 NH1 ARG B 18 -2.313 8.811 -4.899 1.00 0.00 N ATOM 1111 NH2 ARG B 18 -3.739 10.449 -4.165 1.00 0.00 N ATOM 0 H ARG B 18 -3.995 1.900 -5.022 1.00 0.00 H new ATOM 0 HA ARG B 18 -2.875 4.399 -6.025 1.00 0.00 H new ATOM 0 HB2 ARG B 18 -3.741 3.964 -3.178 1.00 0.00 H new ATOM 0 HB3 ARG B 18 -2.206 4.765 -3.445 1.00 0.00 H new ATOM 0 HG2 ARG B 18 -3.611 6.252 -5.163 1.00 0.00 H new ATOM 0 HG3 ARG B 18 -4.984 5.685 -4.234 1.00 0.00 H new ATOM 0 HD2 ARG B 18 -4.100 6.612 -2.183 1.00 0.00 H new ATOM 0 HD3 ARG B 18 -2.541 6.927 -2.919 1.00 0.00 H new ATOM 0 HE ARG B 18 -4.983 8.550 -3.144 1.00 0.00 H new ATOM 0 HH11 ARG B 18 -2.017 7.835 -4.915 1.00 0.00 H new ATOM 0 HH12 ARG B 18 -1.798 9.509 -5.435 1.00 0.00 H new ATOM 0 HH21 ARG B 18 -4.546 10.740 -3.613 1.00 0.00 H new ATOM 0 HH22 ARG B 18 -3.215 11.138 -4.705 1.00 0.00 H new ATOM 1125 N THR B 19 -0.563 3.553 -5.420 1.00 0.00 N ATOM 1126 CA THR B 19 0.769 2.970 -5.409 1.00 0.00 C ATOM 1127 C THR B 19 1.486 3.415 -4.131 1.00 0.00 C ATOM 1128 O THR B 19 1.299 4.553 -3.689 1.00 0.00 O ATOM 1129 CB THR B 19 1.540 3.462 -6.653 1.00 0.00 C ATOM 1130 OG1 THR B 19 0.714 3.547 -7.805 1.00 0.00 O ATOM 1131 CG2 THR B 19 2.717 2.553 -7.013 1.00 0.00 C ATOM 0 H THR B 19 -0.566 4.529 -5.717 1.00 0.00 H new ATOM 0 HA THR B 19 0.714 1.882 -5.432 1.00 0.00 H new ATOM 0 HB THR B 19 1.902 4.452 -6.374 1.00 0.00 H new ATOM 0 HG1 THR B 19 1.245 3.864 -8.565 1.00 0.00 H new ATOM 0 HG21 THR B 19 3.224 2.946 -7.895 1.00 0.00 H new ATOM 0 HG22 THR B 19 3.417 2.517 -6.178 1.00 0.00 H new ATOM 0 HG23 THR B 19 2.350 1.548 -7.223 1.00 0.00 H new ATOM 1139 N LEU B 20 2.325 2.567 -3.536 1.00 0.00 N ATOM 1140 CA LEU B 20 3.078 2.897 -2.328 1.00 0.00 C ATOM 1141 C LEU B 20 4.510 2.430 -2.534 1.00 0.00 C ATOM 1142 O LEU B 20 4.768 1.238 -2.692 1.00 0.00 O ATOM 1143 CB LEU B 20 2.453 2.293 -1.060 1.00 0.00 C ATOM 1144 CG LEU B 20 1.169 3.000 -0.583 1.00 0.00 C ATOM 1145 CD1 LEU B 20 0.563 2.240 0.601 1.00 0.00 C ATOM 1146 CD2 LEU B 20 1.406 4.454 -0.149 1.00 0.00 C ATOM 0 H LEU B 20 2.502 1.624 -3.883 1.00 0.00 H new ATOM 0 HA LEU B 20 3.055 3.975 -2.168 1.00 0.00 H new ATOM 0 HB2 LEU B 20 2.227 1.243 -1.246 1.00 0.00 H new ATOM 0 HB3 LEU B 20 3.189 2.323 -0.257 1.00 0.00 H new ATOM 0 HG LEU B 20 0.492 3.009 -1.437 1.00 0.00 H new ATOM 0 HD11 LEU B 20 -0.344 2.746 0.932 1.00 0.00 H new ATOM 0 HD12 LEU B 20 0.320 1.223 0.294 1.00 0.00 H new ATOM 0 HD13 LEU B 20 1.281 2.210 1.420 1.00 0.00 H new ATOM 0 HD21 LEU B 20 0.464 4.895 0.175 1.00 0.00 H new ATOM 0 HD22 LEU B 20 2.120 4.476 0.675 1.00 0.00 H new ATOM 0 HD23 LEU B 20 1.803 5.024 -0.989 1.00 0.00 H new ATOM 1158 N ARG B 21 5.428 3.391 -2.619 1.00 0.00 N ATOM 1159 CA ARG B 21 6.852 3.158 -2.809 1.00 0.00 C ATOM 1160 C ARG B 21 7.481 2.847 -1.459 1.00 0.00 C ATOM 1161 O ARG B 21 7.420 3.704 -0.574 1.00 0.00 O ATOM 1162 CB ARG B 21 7.519 4.373 -3.471 1.00 0.00 C ATOM 1163 CG ARG B 21 6.973 4.693 -4.874 1.00 0.00 C ATOM 1164 CD ARG B 21 7.502 3.787 -5.989 1.00 0.00 C ATOM 1165 NE ARG B 21 8.919 4.074 -6.242 1.00 0.00 N ATOM 1166 CZ ARG B 21 9.458 4.650 -7.325 1.00 0.00 C ATOM 1167 NH1 ARG B 21 8.798 4.837 -8.463 1.00 0.00 N ATOM 1168 NH2 ARG B 21 10.703 5.086 -7.249 1.00 0.00 N ATOM 0 H ARG B 21 5.191 4.381 -2.555 1.00 0.00 H new ATOM 0 HA ARG B 21 7.001 2.309 -3.476 1.00 0.00 H new ATOM 0 HB2 ARG B 21 7.383 5.244 -2.831 1.00 0.00 H new ATOM 0 HB3 ARG B 21 8.592 4.194 -3.541 1.00 0.00 H new ATOM 0 HG2 ARG B 21 5.886 4.621 -4.851 1.00 0.00 H new ATOM 0 HG3 ARG B 21 7.219 5.727 -5.117 1.00 0.00 H new ATOM 0 HD2 ARG B 21 7.379 2.741 -5.707 1.00 0.00 H new ATOM 0 HD3 ARG B 21 6.923 3.942 -6.900 1.00 0.00 H new ATOM 0 HE ARG B 21 9.571 3.803 -5.506 1.00 0.00 H new ATOM 0 HH11 ARG B 21 7.827 4.536 -8.545 1.00 0.00 H new ATOM 0 HH12 ARG B 21 9.262 5.282 -9.255 1.00 0.00 H new ATOM 0 HH21 ARG B 21 11.228 4.980 -6.381 1.00 0.00 H new ATOM 0 HH22 ARG B 21 11.139 5.529 -8.058 1.00 0.00 H new ATOM 1182 N PHE B 22 8.059 1.666 -1.257 1.00 0.00 N ATOM 1183 CA PHE B 22 8.702 1.289 0.016 1.00 0.00 C ATOM 1184 C PHE B 22 10.195 1.139 -0.226 1.00 0.00 C ATOM 1185 O PHE B 22 10.586 0.946 -1.377 1.00 0.00 O ATOM 1186 CB PHE B 22 8.103 0.002 0.591 1.00 0.00 C ATOM 1187 CG PHE B 22 6.657 0.130 1.028 1.00 0.00 C ATOM 1188 CD1 PHE B 22 6.339 0.544 2.338 1.00 0.00 C ATOM 1189 CD2 PHE B 22 5.623 -0.199 0.130 1.00 0.00 C ATOM 1190 CE1 PHE B 22 5.000 0.595 2.750 1.00 0.00 C ATOM 1191 CE2 PHE B 22 4.282 -0.146 0.545 1.00 0.00 C ATOM 1192 CZ PHE B 22 3.971 0.238 1.860 1.00 0.00 C ATOM 0 H PHE B 22 8.099 0.936 -1.968 1.00 0.00 H new ATOM 0 HA PHE B 22 8.524 2.070 0.755 1.00 0.00 H new ATOM 0 HB2 PHE B 22 8.176 -0.786 -0.159 1.00 0.00 H new ATOM 0 HB3 PHE B 22 8.702 -0.314 1.445 1.00 0.00 H new ATOM 0 HD1 PHE B 22 7.126 0.822 3.023 1.00 0.00 H new ATOM 0 HD2 PHE B 22 5.862 -0.493 -0.881 1.00 0.00 H new ATOM 0 HE1 PHE B 22 4.758 0.910 3.754 1.00 0.00 H new ATOM 0 HE2 PHE B 22 3.492 -0.400 -0.146 1.00 0.00 H new ATOM 0 HZ PHE B 22 2.942 0.259 2.188 1.00 0.00 H new ATOM 1202 N SER B 23 11.040 1.286 0.794 1.00 0.00 N ATOM 1203 CA SER B 23 12.486 1.138 0.601 1.00 0.00 C ATOM 1204 C SER B 23 12.823 -0.360 0.733 1.00 0.00 C ATOM 1205 O SER B 23 11.978 -1.118 1.216 1.00 0.00 O ATOM 1206 CB SER B 23 13.251 2.033 1.590 1.00 0.00 C ATOM 1207 OG SER B 23 12.516 3.192 1.962 1.00 0.00 O ATOM 0 H SER B 23 10.756 1.504 1.749 1.00 0.00 H new ATOM 0 HA SER B 23 12.797 1.471 -0.389 1.00 0.00 H new ATOM 0 HB2 SER B 23 13.491 1.457 2.484 1.00 0.00 H new ATOM 0 HB3 SER B 23 14.198 2.336 1.142 1.00 0.00 H new ATOM 0 HG SER B 23 11.946 2.985 2.731 1.00 0.00 H new ATOM 1213 N PRO B 24 14.035 -0.817 0.369 1.00 0.00 N ATOM 1214 CA PRO B 24 14.377 -2.233 0.458 1.00 0.00 C ATOM 1215 C PRO B 24 14.344 -2.763 1.891 1.00 0.00 C ATOM 1216 O PRO B 24 14.021 -3.930 2.082 1.00 0.00 O ATOM 1217 CB PRO B 24 15.764 -2.377 -0.178 1.00 0.00 C ATOM 1218 CG PRO B 24 16.360 -0.977 -0.067 1.00 0.00 C ATOM 1219 CD PRO B 24 15.140 -0.066 -0.203 1.00 0.00 C ATOM 0 HA PRO B 24 13.637 -2.836 -0.068 1.00 0.00 H new ATOM 0 HB2 PRO B 24 16.371 -3.114 0.348 1.00 0.00 H new ATOM 0 HB3 PRO B 24 15.697 -2.702 -1.216 1.00 0.00 H new ATOM 0 HG2 PRO B 24 16.868 -0.830 0.886 1.00 0.00 H new ATOM 0 HG3 PRO B 24 17.093 -0.788 -0.851 1.00 0.00 H new ATOM 0 HD2 PRO B 24 15.291 0.875 0.325 1.00 0.00 H new ATOM 0 HD3 PRO B 24 14.949 0.182 -1.247 1.00 0.00 H new ATOM 1227 N VAL B 25 14.693 -1.933 2.878 1.00 0.00 N ATOM 1228 CA VAL B 25 14.700 -2.297 4.289 1.00 0.00 C ATOM 1229 C VAL B 25 13.259 -2.509 4.753 1.00 0.00 C ATOM 1230 O VAL B 25 12.927 -3.609 5.179 1.00 0.00 O ATOM 1231 CB VAL B 25 15.460 -1.215 5.087 1.00 0.00 C ATOM 1232 CG1 VAL B 25 15.210 -1.295 6.597 1.00 0.00 C ATOM 1233 CG2 VAL B 25 16.966 -1.344 4.810 1.00 0.00 C ATOM 0 H VAL B 25 14.984 -0.970 2.710 1.00 0.00 H new ATOM 0 HA VAL B 25 15.227 -3.236 4.460 1.00 0.00 H new ATOM 0 HB VAL B 25 15.084 -0.248 4.754 1.00 0.00 H new ATOM 0 HG11 VAL B 25 15.772 -0.509 7.101 1.00 0.00 H new ATOM 0 HG12 VAL B 25 14.146 -1.166 6.797 1.00 0.00 H new ATOM 0 HG13 VAL B 25 15.534 -2.267 6.968 1.00 0.00 H new ATOM 0 HG21 VAL B 25 17.506 -0.582 5.372 1.00 0.00 H new ATOM 0 HG22 VAL B 25 17.309 -2.332 5.117 1.00 0.00 H new ATOM 0 HG23 VAL B 25 17.153 -1.210 3.745 1.00 0.00 H new ATOM 1243 N GLU B 26 12.398 -1.501 4.599 1.00 0.00 N ATOM 1244 CA GLU B 26 11.000 -1.567 5.003 1.00 0.00 C ATOM 1245 C GLU B 26 10.299 -2.761 4.355 1.00 0.00 C ATOM 1246 O GLU B 26 9.527 -3.457 5.011 1.00 0.00 O ATOM 1247 CB GLU B 26 10.286 -0.251 4.652 1.00 0.00 C ATOM 1248 CG GLU B 26 10.766 0.931 5.509 1.00 0.00 C ATOM 1249 CD GLU B 26 11.903 1.710 4.849 1.00 0.00 C ATOM 1250 OE1 GLU B 26 13.033 1.199 4.731 1.00 0.00 O ATOM 1251 OE2 GLU B 26 11.657 2.843 4.369 1.00 0.00 O ATOM 0 H GLU B 26 12.660 -0.606 4.185 1.00 0.00 H new ATOM 0 HA GLU B 26 10.957 -1.706 6.083 1.00 0.00 H new ATOM 0 HB2 GLU B 26 10.452 -0.022 3.599 1.00 0.00 H new ATOM 0 HB3 GLU B 26 9.212 -0.378 4.785 1.00 0.00 H new ATOM 0 HG2 GLU B 26 9.929 1.604 5.695 1.00 0.00 H new ATOM 0 HG3 GLU B 26 11.099 0.561 6.479 1.00 0.00 H new ATOM 1258 N ASP B 27 10.568 -2.991 3.069 1.00 0.00 N ATOM 1259 CA ASP B 27 10.002 -4.102 2.316 1.00 0.00 C ATOM 1260 C ASP B 27 10.472 -5.420 2.905 1.00 0.00 C ATOM 1261 O ASP B 27 9.659 -6.318 3.078 1.00 0.00 O ATOM 1262 CB ASP B 27 10.463 -4.015 0.865 1.00 0.00 C ATOM 1263 CG ASP B 27 10.267 -5.337 0.109 1.00 0.00 C ATOM 1264 OD1 ASP B 27 9.127 -5.659 -0.311 1.00 0.00 O ATOM 1265 OD2 ASP B 27 11.293 -6.017 -0.129 1.00 0.00 O ATOM 0 H ASP B 27 11.193 -2.402 2.518 1.00 0.00 H new ATOM 0 HA ASP B 27 8.914 -4.049 2.367 1.00 0.00 H new ATOM 0 HB2 ASP B 27 9.911 -3.224 0.358 1.00 0.00 H new ATOM 0 HB3 ASP B 27 11.516 -3.736 0.837 1.00 0.00 H new ATOM 1270 N GLU B 28 11.762 -5.538 3.221 1.00 0.00 N ATOM 1271 CA GLU B 28 12.331 -6.742 3.794 1.00 0.00 C ATOM 1272 C GLU B 28 11.612 -7.066 5.107 1.00 0.00 C ATOM 1273 O GLU B 28 11.188 -8.204 5.311 1.00 0.00 O ATOM 1274 CB GLU B 28 13.836 -6.541 4.024 1.00 0.00 C ATOM 1275 CG GLU B 28 14.541 -7.868 4.280 1.00 0.00 C ATOM 1276 CD GLU B 28 15.842 -7.715 5.058 1.00 0.00 C ATOM 1277 OE1 GLU B 28 16.490 -6.644 5.012 1.00 0.00 O ATOM 1278 OE2 GLU B 28 16.185 -8.690 5.768 1.00 0.00 O ATOM 0 H GLU B 28 12.441 -4.790 3.082 1.00 0.00 H new ATOM 0 HA GLU B 28 12.199 -7.580 3.110 1.00 0.00 H new ATOM 0 HB2 GLU B 28 14.277 -6.055 3.154 1.00 0.00 H new ATOM 0 HB3 GLU B 28 13.990 -5.875 4.873 1.00 0.00 H new ATOM 0 HG2 GLU B 28 13.871 -8.528 4.831 1.00 0.00 H new ATOM 0 HG3 GLU B 28 14.750 -8.351 3.326 1.00 0.00 H new ATOM 1285 N THR B 29 11.474 -6.069 5.983 1.00 0.00 N ATOM 1286 CA THR B 29 10.820 -6.184 7.274 1.00 0.00 C ATOM 1287 C THR B 29 9.368 -6.638 7.079 1.00 0.00 C ATOM 1288 O THR B 29 8.968 -7.654 7.649 1.00 0.00 O ATOM 1289 CB THR B 29 10.952 -4.834 8.013 1.00 0.00 C ATOM 1290 OG1 THR B 29 12.320 -4.488 8.186 1.00 0.00 O ATOM 1291 CG2 THR B 29 10.282 -4.835 9.387 1.00 0.00 C ATOM 0 H THR B 29 11.829 -5.130 5.800 1.00 0.00 H new ATOM 0 HA THR B 29 11.295 -6.943 7.896 1.00 0.00 H new ATOM 0 HB THR B 29 10.444 -4.102 7.385 1.00 0.00 H new ATOM 0 HG1 THR B 29 12.691 -4.184 7.331 1.00 0.00 H new ATOM 0 HG21 THR B 29 10.410 -3.859 9.855 1.00 0.00 H new ATOM 0 HG22 THR B 29 9.219 -5.046 9.273 1.00 0.00 H new ATOM 0 HG23 THR B 29 10.739 -5.601 10.014 1.00 0.00 H new ATOM 1299 N ILE B 30 8.584 -5.923 6.265 1.00 0.00 N ATOM 1300 CA ILE B 30 7.185 -6.259 6.015 1.00 0.00 C ATOM 1301 C ILE B 30 7.071 -7.659 5.418 1.00 0.00 C ATOM 1302 O ILE B 30 6.201 -8.428 5.813 1.00 0.00 O ATOM 1303 CB ILE B 30 6.523 -5.193 5.112 1.00 0.00 C ATOM 1304 CG1 ILE B 30 6.365 -3.874 5.906 1.00 0.00 C ATOM 1305 CG2 ILE B 30 5.146 -5.681 4.587 1.00 0.00 C ATOM 1306 CD1 ILE B 30 6.143 -2.648 5.012 1.00 0.00 C ATOM 0 H ILE B 30 8.905 -5.095 5.762 1.00 0.00 H new ATOM 0 HA ILE B 30 6.648 -6.262 6.964 1.00 0.00 H new ATOM 0 HB ILE B 30 7.163 -5.020 4.247 1.00 0.00 H new ATOM 0 HG12 ILE B 30 5.524 -3.971 6.593 1.00 0.00 H new ATOM 0 HG13 ILE B 30 7.256 -3.715 6.513 1.00 0.00 H new ATOM 0 HG21 ILE B 30 4.704 -4.911 3.955 1.00 0.00 H new ATOM 0 HG22 ILE B 30 5.281 -6.594 4.007 1.00 0.00 H new ATOM 0 HG23 ILE B 30 4.485 -5.881 5.430 1.00 0.00 H new ATOM 0 HD11 ILE B 30 6.040 -1.758 5.633 1.00 0.00 H new ATOM 0 HD12 ILE B 30 6.995 -2.527 4.343 1.00 0.00 H new ATOM 0 HD13 ILE B 30 5.236 -2.786 4.424 1.00 0.00 H new ATOM 1318 N ARG B 31 7.910 -7.993 4.440 1.00 0.00 N ATOM 1319 CA ARG B 31 7.892 -9.287 3.777 1.00 0.00 C ATOM 1320 C ARG B 31 8.116 -10.409 4.779 1.00 0.00 C ATOM 1321 O ARG B 31 7.362 -11.387 4.758 1.00 0.00 O ATOM 1322 CB ARG B 31 8.914 -9.263 2.639 1.00 0.00 C ATOM 1323 CG ARG B 31 8.853 -10.542 1.816 1.00 0.00 C ATOM 1324 CD ARG B 31 9.769 -10.413 0.606 1.00 0.00 C ATOM 1325 NE ARG B 31 9.701 -11.626 -0.209 1.00 0.00 N ATOM 1326 CZ ARG B 31 10.272 -11.778 -1.405 1.00 0.00 C ATOM 1327 NH1 ARG B 31 10.924 -10.782 -1.995 1.00 0.00 N ATOM 1328 NH2 ARG B 31 10.162 -12.946 -2.011 1.00 0.00 N ATOM 0 H ARG B 31 8.629 -7.362 4.084 1.00 0.00 H new ATOM 0 HA ARG B 31 6.914 -9.485 3.339 1.00 0.00 H new ATOM 0 HB2 ARG B 31 8.725 -8.404 1.995 1.00 0.00 H new ATOM 0 HB3 ARG B 31 9.916 -9.139 3.049 1.00 0.00 H new ATOM 0 HG2 ARG B 31 9.156 -11.394 2.425 1.00 0.00 H new ATOM 0 HG3 ARG B 31 7.829 -10.730 1.492 1.00 0.00 H new ATOM 0 HD2 ARG B 31 9.477 -9.548 0.010 1.00 0.00 H new ATOM 0 HD3 ARG B 31 10.795 -10.243 0.933 1.00 0.00 H new ATOM 0 HE ARG B 31 9.177 -12.416 0.166 1.00 0.00 H new ATOM 0 HH11 ARG B 31 10.997 -9.876 -1.533 1.00 0.00 H new ATOM 0 HH12 ARG B 31 11.352 -10.924 -2.910 1.00 0.00 H new ATOM 0 HH21 ARG B 31 9.650 -13.706 -1.564 1.00 0.00 H new ATOM 0 HH22 ARG B 31 10.589 -13.088 -2.926 1.00 0.00 H new ATOM 1342 N LYS B 32 9.131 -10.270 5.639 1.00 0.00 N ATOM 1343 CA LYS B 32 9.431 -11.270 6.651 1.00 0.00 C ATOM 1344 C LYS B 32 8.267 -11.388 7.609 1.00 0.00 C ATOM 1345 O LYS B 32 7.831 -12.499 7.881 1.00 0.00 O ATOM 1346 CB LYS B 32 10.671 -10.915 7.493 1.00 0.00 C ATOM 1347 CG LYS B 32 11.930 -11.674 7.081 1.00 0.00 C ATOM 1348 CD LYS B 32 12.651 -10.988 5.930 1.00 0.00 C ATOM 1349 CE LYS B 32 13.931 -11.767 5.637 1.00 0.00 C ATOM 1350 NZ LYS B 32 14.865 -11.003 4.790 1.00 0.00 N ATOM 0 H LYS B 32 9.759 -9.466 5.648 1.00 0.00 H new ATOM 0 HA LYS B 32 9.620 -12.200 6.115 1.00 0.00 H new ATOM 0 HB2 LYS B 32 10.860 -9.845 7.412 1.00 0.00 H new ATOM 0 HB3 LYS B 32 10.459 -11.123 8.542 1.00 0.00 H new ATOM 0 HG2 LYS B 32 12.602 -11.754 7.935 1.00 0.00 H new ATOM 0 HG3 LYS B 32 11.663 -12.690 6.789 1.00 0.00 H new ATOM 0 HD2 LYS B 32 12.014 -10.958 5.046 1.00 0.00 H new ATOM 0 HD3 LYS B 32 12.885 -9.956 6.190 1.00 0.00 H new ATOM 0 HE2 LYS B 32 14.421 -12.024 6.576 1.00 0.00 H new ATOM 0 HE3 LYS B 32 13.679 -12.705 5.142 1.00 0.00 H new ATOM 0 HZ1 LYS B 32 15.629 -11.629 4.463 1.00 0.00 H new ATOM 0 HZ2 LYS B 32 14.355 -10.621 3.968 1.00 0.00 H new ATOM 0 HZ3 LYS B 32 15.271 -10.220 5.340 1.00 0.00 H new ATOM 1364 N LYS B 33 7.781 -10.267 8.148 1.00 0.00 N ATOM 1365 CA LYS B 33 6.695 -10.285 9.113 1.00 0.00 C ATOM 1366 C LYS B 33 5.417 -10.856 8.531 1.00 0.00 C ATOM 1367 O LYS B 33 4.745 -11.611 9.221 1.00 0.00 O ATOM 1368 CB LYS B 33 6.528 -8.909 9.780 1.00 0.00 C ATOM 1369 CG LYS B 33 6.083 -9.074 11.243 1.00 0.00 C ATOM 1370 CD LYS B 33 7.253 -9.536 12.127 1.00 0.00 C ATOM 1371 CE LYS B 33 6.759 -10.103 13.459 1.00 0.00 C ATOM 1372 NZ LYS B 33 7.706 -11.111 13.978 1.00 0.00 N ATOM 0 H LYS B 33 8.129 -9.334 7.927 1.00 0.00 H new ATOM 0 HA LYS B 33 6.961 -10.976 9.913 1.00 0.00 H new ATOM 0 HB2 LYS B 33 7.469 -8.361 9.739 1.00 0.00 H new ATOM 0 HB3 LYS B 33 5.792 -8.320 9.233 1.00 0.00 H new ATOM 0 HG2 LYS B 33 5.692 -8.128 11.617 1.00 0.00 H new ATOM 0 HG3 LYS B 33 5.271 -9.799 11.300 1.00 0.00 H new ATOM 0 HD2 LYS B 33 7.831 -10.294 11.600 1.00 0.00 H new ATOM 0 HD3 LYS B 33 7.923 -8.697 12.314 1.00 0.00 H new ATOM 0 HE2 LYS B 33 6.644 -9.297 14.184 1.00 0.00 H new ATOM 0 HE3 LYS B 33 5.776 -10.554 13.326 1.00 0.00 H new ATOM 0 HZ1 LYS B 33 7.590 -11.199 15.008 1.00 0.00 H new ATOM 0 HZ2 LYS B 33 7.516 -12.029 13.528 1.00 0.00 H new ATOM 0 HZ3 LYS B 33 8.680 -10.815 13.764 1.00 0.00 H new ATOM 1386 N ALA B 34 5.100 -10.553 7.275 1.00 0.00 N ATOM 1387 CA ALA B 34 3.918 -11.073 6.615 1.00 0.00 C ATOM 1388 C ALA B 34 3.995 -12.600 6.628 1.00 0.00 C ATOM 1389 O ALA B 34 3.078 -13.282 7.089 1.00 0.00 O ATOM 1390 CB ALA B 34 3.847 -10.516 5.192 1.00 0.00 C ATOM 0 H ALA B 34 5.662 -9.936 6.688 1.00 0.00 H new ATOM 0 HA ALA B 34 3.009 -10.767 7.133 1.00 0.00 H new ATOM 0 HB1 ALA B 34 2.959 -10.905 4.693 1.00 0.00 H new ATOM 0 HB2 ALA B 34 3.795 -9.428 5.229 1.00 0.00 H new ATOM 0 HB3 ALA B 34 4.736 -10.818 4.638 1.00 0.00 H new ATOM 1396 N GLU B 35 5.117 -13.135 6.148 1.00 0.00 N ATOM 1397 CA GLU B 35 5.303 -14.581 6.083 1.00 0.00 C ATOM 1398 C GLU B 35 5.419 -15.233 7.466 1.00 0.00 C ATOM 1399 O GLU B 35 4.910 -16.338 7.672 1.00 0.00 O ATOM 1400 CB GLU B 35 6.463 -14.912 5.139 1.00 0.00 C ATOM 1401 CG GLU B 35 6.439 -16.398 4.757 1.00 0.00 C ATOM 1402 CD GLU B 35 7.077 -16.643 3.395 1.00 0.00 C ATOM 1403 OE1 GLU B 35 8.282 -16.348 3.213 1.00 0.00 O ATOM 1404 OE2 GLU B 35 6.390 -17.155 2.478 1.00 0.00 O ATOM 0 H GLU B 35 5.906 -12.591 5.800 1.00 0.00 H new ATOM 0 HA GLU B 35 4.402 -15.027 5.661 1.00 0.00 H new ATOM 0 HB2 GLU B 35 6.395 -14.299 4.241 1.00 0.00 H new ATOM 0 HB3 GLU B 35 7.411 -14.669 5.619 1.00 0.00 H new ATOM 0 HG2 GLU B 35 6.967 -16.977 5.515 1.00 0.00 H new ATOM 0 HG3 GLU B 35 5.409 -16.754 4.745 1.00 0.00 H new ATOM 1411 N ASP B 36 6.033 -14.545 8.427 1.00 0.00 N ATOM 1412 CA ASP B 36 6.221 -15.004 9.798 1.00 0.00 C ATOM 1413 C ASP B 36 4.859 -15.134 10.464 1.00 0.00 C ATOM 1414 O ASP B 36 4.609 -16.101 11.184 1.00 0.00 O ATOM 1415 CB ASP B 36 7.107 -14.019 10.569 1.00 0.00 C ATOM 1416 CG ASP B 36 7.316 -14.439 12.017 1.00 0.00 C ATOM 1417 OD1 ASP B 36 7.793 -15.568 12.257 1.00 0.00 O ATOM 1418 OD2 ASP B 36 7.092 -13.617 12.940 1.00 0.00 O ATOM 0 H ASP B 36 6.427 -13.618 8.264 1.00 0.00 H new ATOM 0 HA ASP B 36 6.717 -15.974 9.798 1.00 0.00 H new ATOM 0 HB2 ASP B 36 8.074 -13.940 10.073 1.00 0.00 H new ATOM 0 HB3 ASP B 36 6.653 -13.028 10.543 1.00 0.00 H new ATOM 1423 N SER B 37 3.970 -14.173 10.206 1.00 0.00 N ATOM 1424 CA SER B 37 2.622 -14.177 10.741 1.00 0.00 C ATOM 1425 C SER B 37 1.721 -15.117 9.927 1.00 0.00 C ATOM 1426 O SER B 37 0.623 -15.457 10.372 1.00 0.00 O ATOM 1427 CB SER B 37 2.056 -12.759 10.773 1.00 0.00 C ATOM 1428 OG SER B 37 2.800 -11.951 11.666 1.00 0.00 O ATOM 0 H SER B 37 4.174 -13.367 9.615 1.00 0.00 H new ATOM 0 HA SER B 37 2.655 -14.549 11.765 1.00 0.00 H new ATOM 0 HB2 SER B 37 2.083 -12.327 9.773 1.00 0.00 H new ATOM 0 HB3 SER B 37 1.011 -12.785 11.081 1.00 0.00 H new ATOM 0 HG SER B 37 3.598 -11.610 11.211 1.00 0.00 H new ATOM 1434 N GLY B 38 2.164 -15.570 8.752 1.00 0.00 N ATOM 1435 CA GLY B 38 1.421 -16.477 7.899 1.00 0.00 C ATOM 1436 C GLY B 38 0.323 -15.819 7.073 1.00 0.00 C ATOM 1437 O GLY B 38 -0.637 -16.507 6.728 1.00 0.00 O ATOM 0 H GLY B 38 3.070 -15.306 8.366 1.00 0.00 H new ATOM 0 HA2 GLY B 38 2.118 -16.971 7.223 1.00 0.00 H new ATOM 0 HA3 GLY B 38 0.974 -17.254 8.520 1.00 0.00 H new ATOM 1441 N LEU B 39 0.392 -14.514 6.792 1.00 0.00 N ATOM 1442 CA LEU B 39 -0.591 -13.791 6.000 1.00 0.00 C ATOM 1443 C LEU B 39 0.176 -13.171 4.837 1.00 0.00 C ATOM 1444 O LEU B 39 1.356 -12.846 4.963 1.00 0.00 O ATOM 1445 CB LEU B 39 -1.314 -12.698 6.816 1.00 0.00 C ATOM 1446 CG LEU B 39 -2.151 -13.139 8.038 1.00 0.00 C ATOM 1447 CD1 LEU B 39 -2.980 -11.946 8.537 1.00 0.00 C ATOM 1448 CD2 LEU B 39 -3.141 -14.280 7.763 1.00 0.00 C ATOM 0 H LEU B 39 1.155 -13.922 7.120 1.00 0.00 H new ATOM 0 HA LEU B 39 -1.372 -14.470 5.659 1.00 0.00 H new ATOM 0 HB2 LEU B 39 -0.563 -11.989 7.164 1.00 0.00 H new ATOM 0 HB3 LEU B 39 -1.973 -12.156 6.138 1.00 0.00 H new ATOM 0 HG LEU B 39 -1.425 -13.499 8.767 1.00 0.00 H new ATOM 0 HD11 LEU B 39 -3.573 -12.250 9.399 1.00 0.00 H new ATOM 0 HD12 LEU B 39 -2.312 -11.134 8.824 1.00 0.00 H new ATOM 0 HD13 LEU B 39 -3.644 -11.606 7.742 1.00 0.00 H new ATOM 0 HD21 LEU B 39 -3.682 -14.520 8.678 1.00 0.00 H new ATOM 0 HD22 LEU B 39 -3.848 -13.970 6.994 1.00 0.00 H new ATOM 0 HD23 LEU B 39 -2.596 -15.160 7.422 1.00 0.00 H new ATOM 1460 N THR B 40 -0.447 -13.038 3.676 1.00 0.00 N ATOM 1461 CA THR B 40 0.210 -12.440 2.514 1.00 0.00 C ATOM 1462 C THR B 40 0.520 -10.976 2.839 1.00 0.00 C ATOM 1463 O THR B 40 -0.214 -10.350 3.599 1.00 0.00 O ATOM 1464 CB THR B 40 -0.695 -12.623 1.280 1.00 0.00 C ATOM 1465 OG1 THR B 40 -0.180 -12.013 0.109 1.00 0.00 O ATOM 1466 CG2 THR B 40 -2.111 -12.084 1.496 1.00 0.00 C ATOM 0 H THR B 40 -1.408 -13.335 3.509 1.00 0.00 H new ATOM 0 HA THR B 40 1.157 -12.927 2.280 1.00 0.00 H new ATOM 0 HB THR B 40 -0.725 -13.704 1.141 1.00 0.00 H new ATOM 0 HG1 THR B 40 -0.797 -12.165 -0.637 1.00 0.00 H new ATOM 0 HG21 THR B 40 -2.702 -12.241 0.593 1.00 0.00 H new ATOM 0 HG22 THR B 40 -2.577 -12.609 2.330 1.00 0.00 H new ATOM 0 HG23 THR B 40 -2.065 -11.018 1.719 1.00 0.00 H new ATOM 1474 N VAL B 41 1.555 -10.386 2.232 1.00 0.00 N ATOM 1475 CA VAL B 41 1.942 -8.989 2.451 1.00 0.00 C ATOM 1476 C VAL B 41 0.729 -8.062 2.308 1.00 0.00 C ATOM 1477 O VAL B 41 0.526 -7.195 3.153 1.00 0.00 O ATOM 1478 CB VAL B 41 3.108 -8.594 1.514 1.00 0.00 C ATOM 1479 CG1 VAL B 41 3.350 -7.077 1.466 1.00 0.00 C ATOM 1480 CG2 VAL B 41 4.412 -9.265 1.966 1.00 0.00 C ATOM 0 H VAL B 41 2.155 -10.872 1.566 1.00 0.00 H new ATOM 0 HA VAL B 41 2.305 -8.877 3.473 1.00 0.00 H new ATOM 0 HB VAL B 41 2.818 -8.931 0.519 1.00 0.00 H new ATOM 0 HG11 VAL B 41 4.180 -6.862 0.793 1.00 0.00 H new ATOM 0 HG12 VAL B 41 2.451 -6.576 1.106 1.00 0.00 H new ATOM 0 HG13 VAL B 41 3.591 -6.715 2.466 1.00 0.00 H new ATOM 0 HG21 VAL B 41 5.221 -8.976 1.296 1.00 0.00 H new ATOM 0 HG22 VAL B 41 4.651 -8.948 2.981 1.00 0.00 H new ATOM 0 HG23 VAL B 41 4.291 -10.348 1.943 1.00 0.00 H new ATOM 1490 N SER B 42 -0.110 -8.239 1.283 1.00 0.00 N ATOM 1491 CA SER B 42 -1.278 -7.379 1.103 1.00 0.00 C ATOM 1492 C SER B 42 -2.231 -7.448 2.313 1.00 0.00 C ATOM 1493 O SER B 42 -2.861 -6.446 2.661 1.00 0.00 O ATOM 1494 CB SER B 42 -1.976 -7.714 -0.226 1.00 0.00 C ATOM 1495 OG SER B 42 -2.032 -9.113 -0.468 1.00 0.00 O ATOM 0 H SER B 42 -0.002 -8.963 0.573 1.00 0.00 H new ATOM 0 HA SER B 42 -0.946 -6.342 1.050 1.00 0.00 H new ATOM 0 HB2 SER B 42 -2.988 -7.309 -0.215 1.00 0.00 H new ATOM 0 HB3 SER B 42 -1.447 -7.227 -1.045 1.00 0.00 H new ATOM 0 HG SER B 42 -2.485 -9.280 -1.321 1.00 0.00 H new ATOM 1501 N ALA B 43 -2.360 -8.628 2.931 1.00 0.00 N ATOM 1502 CA ALA B 43 -3.192 -8.850 4.103 1.00 0.00 C ATOM 1503 C ALA B 43 -2.481 -8.270 5.321 1.00 0.00 C ATOM 1504 O ALA B 43 -3.124 -7.605 6.116 1.00 0.00 O ATOM 1505 CB ALA B 43 -3.491 -10.335 4.315 1.00 0.00 C ATOM 0 H ALA B 43 -1.875 -9.469 2.618 1.00 0.00 H new ATOM 0 HA ALA B 43 -4.150 -8.352 3.954 1.00 0.00 H new ATOM 0 HB1 ALA B 43 -4.115 -10.458 5.200 1.00 0.00 H new ATOM 0 HB2 ALA B 43 -4.015 -10.729 3.444 1.00 0.00 H new ATOM 0 HB3 ALA B 43 -2.556 -10.878 4.452 1.00 0.00 H new ATOM 1511 N TYR B 44 -1.170 -8.482 5.462 1.00 0.00 N ATOM 1512 CA TYR B 44 -0.373 -7.964 6.566 1.00 0.00 C ATOM 1513 C TYR B 44 -0.545 -6.441 6.626 1.00 0.00 C ATOM 1514 O TYR B 44 -0.866 -5.897 7.677 1.00 0.00 O ATOM 1515 CB TYR B 44 1.089 -8.397 6.392 1.00 0.00 C ATOM 1516 CG TYR B 44 2.014 -7.846 7.456 1.00 0.00 C ATOM 1517 CD1 TYR B 44 2.611 -6.587 7.267 1.00 0.00 C ATOM 1518 CD2 TYR B 44 2.260 -8.566 8.639 1.00 0.00 C ATOM 1519 CE1 TYR B 44 3.435 -6.030 8.257 1.00 0.00 C ATOM 1520 CE2 TYR B 44 3.072 -8.009 9.642 1.00 0.00 C ATOM 1521 CZ TYR B 44 3.646 -6.729 9.467 1.00 0.00 C ATOM 1522 OH TYR B 44 4.388 -6.185 10.467 1.00 0.00 O ATOM 0 H TYR B 44 -0.626 -9.030 4.796 1.00 0.00 H new ATOM 0 HA TYR B 44 -0.709 -8.371 7.520 1.00 0.00 H new ATOM 0 HB2 TYR B 44 1.141 -9.486 6.405 1.00 0.00 H new ATOM 0 HB3 TYR B 44 1.441 -8.073 5.413 1.00 0.00 H new ATOM 0 HD1 TYR B 44 2.434 -6.043 6.351 1.00 0.00 H new ATOM 0 HD2 TYR B 44 1.826 -9.545 8.776 1.00 0.00 H new ATOM 0 HE1 TYR B 44 3.906 -5.072 8.095 1.00 0.00 H new ATOM 0 HE2 TYR B 44 3.258 -8.562 10.551 1.00 0.00 H new ATOM 0 HH TYR B 44 4.666 -5.280 10.213 1.00 0.00 H new ATOM 1532 N ILE B 45 -0.415 -5.760 5.483 1.00 0.00 N ATOM 1533 CA ILE B 45 -0.556 -4.314 5.383 1.00 0.00 C ATOM 1534 C ILE B 45 -1.954 -3.852 5.795 1.00 0.00 C ATOM 1535 O ILE B 45 -2.063 -2.970 6.642 1.00 0.00 O ATOM 1536 CB ILE B 45 -0.195 -3.836 3.956 1.00 0.00 C ATOM 1537 CG1 ILE B 45 1.303 -4.026 3.638 1.00 0.00 C ATOM 1538 CG2 ILE B 45 -0.591 -2.360 3.741 1.00 0.00 C ATOM 1539 CD1 ILE B 45 2.221 -3.359 4.653 1.00 0.00 C ATOM 0 H ILE B 45 -0.206 -6.209 4.592 1.00 0.00 H new ATOM 0 HA ILE B 45 0.144 -3.857 6.082 1.00 0.00 H new ATOM 0 HB ILE B 45 -0.767 -4.460 3.270 1.00 0.00 H new ATOM 0 HG12 ILE B 45 1.527 -5.092 3.600 1.00 0.00 H new ATOM 0 HG13 ILE B 45 1.512 -3.621 2.648 1.00 0.00 H new ATOM 0 HG21 ILE B 45 -0.324 -2.055 2.729 1.00 0.00 H new ATOM 0 HG22 ILE B 45 -1.666 -2.247 3.882 1.00 0.00 H new ATOM 0 HG23 ILE B 45 -0.063 -1.733 4.460 1.00 0.00 H new ATOM 0 HD11 ILE B 45 3.260 -3.530 4.372 1.00 0.00 H new ATOM 0 HD12 ILE B 45 2.023 -2.287 4.674 1.00 0.00 H new ATOM 0 HD13 ILE B 45 2.039 -3.781 5.641 1.00 0.00 H new ATOM 1551 N ARG B 46 -3.019 -4.374 5.169 1.00 0.00 N ATOM 1552 CA ARG B 46 -4.375 -3.946 5.523 1.00 0.00 C ATOM 1553 C ARG B 46 -4.636 -4.228 6.999 1.00 0.00 C ATOM 1554 O ARG B 46 -5.147 -3.354 7.684 1.00 0.00 O ATOM 1555 CB ARG B 46 -5.441 -4.504 4.551 1.00 0.00 C ATOM 1556 CG ARG B 46 -5.789 -5.985 4.757 1.00 0.00 C ATOM 1557 CD ARG B 46 -6.387 -6.662 3.518 1.00 0.00 C ATOM 1558 NE ARG B 46 -6.681 -8.081 3.785 1.00 0.00 N ATOM 1559 CZ ARG B 46 -6.798 -9.062 2.883 1.00 0.00 C ATOM 1560 NH1 ARG B 46 -6.687 -8.820 1.576 1.00 0.00 N ATOM 1561 NH2 ARG B 46 -7.009 -10.297 3.306 1.00 0.00 N ATOM 0 H ARG B 46 -2.969 -5.077 4.432 1.00 0.00 H new ATOM 0 HA ARG B 46 -4.459 -2.867 5.397 1.00 0.00 H new ATOM 0 HB2 ARG B 46 -6.351 -3.914 4.655 1.00 0.00 H new ATOM 0 HB3 ARG B 46 -5.087 -4.367 3.529 1.00 0.00 H new ATOM 0 HG2 ARG B 46 -4.888 -6.522 5.053 1.00 0.00 H new ATOM 0 HG3 ARG B 46 -6.496 -6.070 5.582 1.00 0.00 H new ATOM 0 HD2 ARG B 46 -7.301 -6.146 3.222 1.00 0.00 H new ATOM 0 HD3 ARG B 46 -5.691 -6.581 2.683 1.00 0.00 H new ATOM 0 HE ARG B 46 -6.809 -8.343 4.762 1.00 0.00 H new ATOM 0 HH11 ARG B 46 -6.509 -7.871 1.246 1.00 0.00 H new ATOM 0 HH12 ARG B 46 -6.780 -9.584 0.906 1.00 0.00 H new ATOM 0 HH21 ARG B 46 -7.080 -10.489 4.305 1.00 0.00 H new ATOM 0 HH22 ARG B 46 -7.101 -11.058 2.633 1.00 0.00 H new ATOM 1575 N ASN B 47 -4.247 -5.404 7.485 1.00 0.00 N ATOM 1576 CA ASN B 47 -4.424 -5.816 8.865 1.00 0.00 C ATOM 1577 C ASN B 47 -3.774 -4.817 9.813 1.00 0.00 C ATOM 1578 O ASN B 47 -4.485 -4.206 10.609 1.00 0.00 O ATOM 1579 CB ASN B 47 -3.868 -7.239 9.060 1.00 0.00 C ATOM 1580 CG ASN B 47 -3.783 -7.601 10.533 1.00 0.00 C ATOM 1581 OD1 ASN B 47 -4.807 -7.717 11.201 1.00 0.00 O ATOM 1582 ND2 ASN B 47 -2.580 -7.757 11.054 1.00 0.00 N ATOM 0 H ASN B 47 -3.789 -6.111 6.911 1.00 0.00 H new ATOM 0 HA ASN B 47 -5.488 -5.835 9.101 1.00 0.00 H new ATOM 0 HB2 ASN B 47 -4.507 -7.955 8.543 1.00 0.00 H new ATOM 0 HB3 ASN B 47 -2.879 -7.310 8.608 1.00 0.00 H new ATOM 0 HD21 ASN B 47 -2.478 -7.982 12.044 1.00 0.00 H new ATOM 0 HD22 ASN B 47 -1.752 -7.653 10.467 1.00 0.00 H new ATOM 1589 N ALA B 48 -2.463 -4.606 9.688 1.00 0.00 N ATOM 1590 CA ALA B 48 -1.707 -3.698 10.544 1.00 0.00 C ATOM 1591 C ALA B 48 -2.220 -2.258 10.507 1.00 0.00 C ATOM 1592 O ALA B 48 -2.116 -1.537 11.494 1.00 0.00 O ATOM 1593 CB ALA B 48 -0.233 -3.730 10.125 1.00 0.00 C ATOM 0 H ALA B 48 -1.892 -5.068 8.980 1.00 0.00 H new ATOM 0 HA ALA B 48 -1.832 -4.044 11.570 1.00 0.00 H new ATOM 0 HB1 ALA B 48 0.340 -3.054 10.759 1.00 0.00 H new ATOM 0 HB2 ALA B 48 0.154 -4.743 10.232 1.00 0.00 H new ATOM 0 HB3 ALA B 48 -0.143 -3.415 9.085 1.00 0.00 H new ATOM 1599 N ALA B 49 -2.760 -1.821 9.369 1.00 0.00 N ATOM 1600 CA ALA B 49 -3.268 -0.470 9.212 1.00 0.00 C ATOM 1601 C ALA B 49 -4.654 -0.256 9.828 1.00 0.00 C ATOM 1602 O ALA B 49 -4.952 0.842 10.296 1.00 0.00 O ATOM 1603 CB ALA B 49 -3.310 -0.167 7.717 1.00 0.00 C ATOM 0 H ALA B 49 -2.855 -2.399 8.534 1.00 0.00 H new ATOM 0 HA ALA B 49 -2.603 0.207 9.748 1.00 0.00 H new ATOM 0 HB1 ALA B 49 -3.688 0.843 7.561 1.00 0.00 H new ATOM 0 HB2 ALA B 49 -2.306 -0.247 7.301 1.00 0.00 H new ATOM 0 HB3 ALA B 49 -3.966 -0.881 7.219 1.00 0.00 H new ATOM 1609 N LEU B 50 -5.527 -1.257 9.791 1.00 0.00 N ATOM 1610 CA LEU B 50 -6.881 -1.138 10.334 1.00 0.00 C ATOM 1611 C LEU B 50 -6.920 -1.332 11.840 1.00 0.00 C ATOM 1612 O LEU B 50 -7.752 -0.731 12.526 1.00 0.00 O ATOM 1613 CB LEU B 50 -7.763 -2.214 9.697 1.00 0.00 C ATOM 1614 CG LEU B 50 -7.935 -2.011 8.185 1.00 0.00 C ATOM 1615 CD1 LEU B 50 -8.376 -3.333 7.562 1.00 0.00 C ATOM 1616 CD2 LEU B 50 -8.918 -0.881 7.902 1.00 0.00 C ATOM 0 H LEU B 50 -5.320 -2.170 9.387 1.00 0.00 H new ATOM 0 HA LEU B 50 -7.237 -0.133 10.109 1.00 0.00 H new ATOM 0 HB2 LEU B 50 -7.325 -3.195 9.882 1.00 0.00 H new ATOM 0 HB3 LEU B 50 -8.742 -2.207 10.175 1.00 0.00 H new ATOM 0 HG LEU B 50 -6.988 -1.715 7.734 1.00 0.00 H new ATOM 0 HD11 LEU B 50 -8.502 -3.204 6.487 1.00 0.00 H new ATOM 0 HD12 LEU B 50 -7.619 -4.094 7.750 1.00 0.00 H new ATOM 0 HD13 LEU B 50 -9.322 -3.646 8.004 1.00 0.00 H new ATOM 0 HD21 LEU B 50 -9.026 -0.754 6.825 1.00 0.00 H new ATOM 0 HD22 LEU B 50 -9.887 -1.124 8.337 1.00 0.00 H new ATOM 0 HD23 LEU B 50 -8.545 0.044 8.341 1.00 0.00 H new ATOM 1628 N ASN B 51 -6.058 -2.221 12.317 1.00 0.00 N ATOM 1629 CA ASN B 51 -5.919 -2.588 13.726 1.00 0.00 C ATOM 1630 C ASN B 51 -5.319 -1.506 14.613 1.00 0.00 C ATOM 1631 O ASN B 51 -5.096 -1.833 15.801 1.00 0.00 O ATOM 1632 CB ASN B 51 -5.177 -3.931 13.846 1.00 0.00 C ATOM 1633 CG ASN B 51 -6.185 -5.028 13.593 1.00 0.00 C ATOM 1634 OD1 ASN B 51 -6.884 -5.463 14.505 1.00 0.00 O ATOM 1635 ND2 ASN B 51 -6.388 -5.386 12.346 1.00 0.00 N ATOM 0 H ASN B 51 -5.411 -2.727 11.713 1.00 0.00 H new ATOM 0 HA ASN B 51 -6.930 -2.703 14.118 1.00 0.00 H new ATOM 0 HB2 ASN B 51 -4.362 -3.985 13.125 1.00 0.00 H new ATOM 0 HB3 ASN B 51 -4.734 -4.038 14.836 1.00 0.00 H new ATOM 0 HD21 ASN B 51 -7.139 -6.038 12.118 1.00 0.00 H new ATOM 0 HD22 ASN B 51 -5.795 -5.012 11.605 1.00 0.00 H new