USER MOD reduce.3.24.130724 H: found=0, std=0, add=395, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 396 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 17 THR OG1 : rot 180:sc= -0.0216 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 TYR OH : rot -97:sc= 0.397 USER MOD Single : A 20 GLN : amide:sc= -0.829 K(o=-0.83,f=-5.6!) USER MOD Single : A 26 LYS NZ :NH3+ 147:sc= 0.647 (180deg=-1.32) USER MOD Single : A 29 GLN : amide:sc= -0.349 X(o=-0.35,f=-0.26) USER MOD Single : A 30 LYS NZ :NH3+ -141:sc= -0.787 (180deg=-2.76!) USER MOD Single : A 31 THR OG1 : rot -119:sc= 0.201 USER MOD Single : A 32 HIS : no HD1:sc= -0.369 X(o=-0.37,f=0.06) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= -0.0168 X(o=-0.017,f=-0.017) USER MOD Single : A 44 MET CE :methyl -164:sc= -0.0491 (180deg=-0.352) USER MOD Single : A 46 THR OG1 : rot -76:sc= 0.761 USER MOD Single : A 49 THR OG1 : rot 180:sc= -1.33 USER MOD Single : A 54 GLN : amide:sc= -0.0145 X(o=-0.014,f=-0.38) USER MOD Single : A 58 GLN : amide:sc= 0 K(o=0,f=-0.65) USER MOD Single : A 59 ASN : amide:sc= 0 X(o=0,f=-0.49) USER MOD ----------------------------------------------------------------- ATOM 261 N PHE A 16 2.090 10.694 -4.220 1.00 54.15 N ATOM 262 CA PHE A 16 1.801 10.382 -2.802 1.00 63.35 C ATOM 263 C PHE A 16 2.262 11.535 -1.866 1.00 14.51 C ATOM 264 O PHE A 16 2.990 12.440 -2.288 1.00 41.33 O ATOM 265 CB PHE A 16 2.508 9.054 -2.420 1.00 25.42 C ATOM 266 CG PHE A 16 2.205 7.898 -3.380 1.00 44.21 C ATOM 267 CD1 PHE A 16 1.016 7.177 -3.282 1.00 21.32 C ATOM 268 CD2 PHE A 16 3.102 7.541 -4.394 1.00 32.31 C ATOM 269 CE1 PHE A 16 0.731 6.144 -4.158 1.00 13.44 C ATOM 270 CE2 PHE A 16 2.818 6.505 -5.267 1.00 73.24 C ATOM 271 CZ PHE A 16 1.632 5.806 -5.149 1.00 21.33 C ATOM 0 HA PHE A 16 0.724 10.272 -2.677 1.00 63.35 H new ATOM 0 HB2 PHE A 16 3.585 9.220 -2.394 1.00 25.42 H new ATOM 0 HB3 PHE A 16 2.205 8.768 -1.413 1.00 25.42 H new ATOM 0 HD1 PHE A 16 0.305 7.429 -2.509 1.00 21.32 H new ATOM 0 HD2 PHE A 16 4.031 8.083 -4.497 1.00 32.31 H new ATOM 0 HE1 PHE A 16 -0.198 5.601 -4.067 1.00 13.44 H new ATOM 0 HE2 PHE A 16 3.524 6.243 -6.041 1.00 73.24 H new ATOM 0 HZ PHE A 16 1.410 4.998 -5.830 1.00 21.33 H new ATOM 281 N THR A 17 1.826 11.501 -0.594 1.00 31.22 N ATOM 282 CA THR A 17 2.288 12.455 0.458 1.00 41.51 C ATOM 283 C THR A 17 2.901 11.684 1.654 1.00 14.50 C ATOM 284 O THR A 17 2.906 10.446 1.650 1.00 51.21 O ATOM 285 CB THR A 17 1.127 13.401 0.951 1.00 3.12 C ATOM 286 OG1 THR A 17 1.645 14.404 1.846 1.00 21.30 O ATOM 287 CG2 THR A 17 0.007 12.636 1.668 1.00 2.21 C ATOM 0 H THR A 17 1.147 10.819 -0.257 1.00 31.22 H new ATOM 0 HA THR A 17 3.054 13.087 0.010 1.00 41.51 H new ATOM 0 HB THR A 17 0.706 13.864 0.058 1.00 3.12 H new ATOM 0 HG1 THR A 17 0.915 14.986 2.143 1.00 21.30 H new ATOM 0 HG21 THR A 17 -0.766 13.336 1.986 1.00 2.21 H new ATOM 0 HG22 THR A 17 -0.426 11.902 0.988 1.00 2.21 H new ATOM 0 HG23 THR A 17 0.416 12.126 2.540 1.00 2.21 H new ATOM 295 N SER A 18 3.399 12.427 2.670 1.00 11.12 N ATOM 296 CA SER A 18 4.070 11.862 3.871 1.00 0.25 C ATOM 297 C SER A 18 3.205 10.794 4.586 1.00 0.11 C ATOM 298 O SER A 18 3.656 9.665 4.775 1.00 32.11 O ATOM 299 CB SER A 18 4.432 12.992 4.865 1.00 62.41 C ATOM 300 OG SER A 18 5.240 13.987 4.253 1.00 41.41 O ATOM 0 H SER A 18 3.347 13.446 2.682 1.00 11.12 H new ATOM 0 HA SER A 18 4.978 11.369 3.524 1.00 0.25 H new ATOM 0 HB2 SER A 18 3.519 13.448 5.247 1.00 62.41 H new ATOM 0 HB3 SER A 18 4.959 12.570 5.721 1.00 62.41 H new ATOM 0 HG SER A 18 5.449 14.686 4.907 1.00 41.41 H new ATOM 306 N TYR A 19 1.948 11.158 4.937 1.00 20.40 N ATOM 307 CA TYR A 19 1.007 10.249 5.651 1.00 61.14 C ATOM 308 C TYR A 19 0.695 8.972 4.827 1.00 54.42 C ATOM 309 O TYR A 19 0.627 7.868 5.385 1.00 50.22 O ATOM 310 CB TYR A 19 -0.318 10.984 6.008 1.00 33.15 C ATOM 311 CG TYR A 19 -1.335 10.092 6.752 1.00 72.34 C ATOM 312 CD1 TYR A 19 -1.218 9.862 8.128 1.00 60.53 C ATOM 313 CD2 TYR A 19 -2.378 9.438 6.078 1.00 32.11 C ATOM 314 CE1 TYR A 19 -2.098 9.031 8.795 1.00 64.02 C ATOM 315 CE2 TYR A 19 -3.250 8.601 6.745 1.00 61.51 C ATOM 316 CZ TYR A 19 -3.108 8.401 8.101 1.00 1.34 C ATOM 317 OH TYR A 19 -3.974 7.555 8.764 1.00 52.32 O ATOM 0 H TYR A 19 1.557 12.079 4.738 1.00 20.40 H new ATOM 0 HA TYR A 19 1.504 9.944 6.572 1.00 61.14 H new ATOM 0 HB2 TYR A 19 -0.088 11.852 6.626 1.00 33.15 H new ATOM 0 HB3 TYR A 19 -0.776 11.357 5.092 1.00 33.15 H new ATOM 0 HD1 TYR A 19 -0.424 10.344 8.679 1.00 60.53 H new ATOM 0 HD2 TYR A 19 -2.501 9.593 5.016 1.00 32.11 H new ATOM 0 HE1 TYR A 19 -1.994 8.876 9.859 1.00 64.02 H new ATOM 0 HE2 TYR A 19 -4.042 8.104 6.205 1.00 61.51 H new ATOM 0 HH TYR A 19 -3.679 6.628 8.647 1.00 52.32 H new ATOM 327 N GLN A 20 0.477 9.138 3.505 1.00 72.14 N ATOM 328 CA GLN A 20 0.193 8.004 2.594 1.00 32.13 C ATOM 329 C GLN A 20 1.369 7.008 2.585 1.00 54.11 C ATOM 330 O GLN A 20 1.165 5.815 2.767 1.00 1.55 O ATOM 331 CB GLN A 20 -0.119 8.507 1.162 1.00 63.41 C ATOM 332 CG GLN A 20 -1.398 9.363 1.075 1.00 52.13 C ATOM 333 CD GLN A 20 -1.685 9.920 -0.321 1.00 24.04 C ATOM 334 OE1 GLN A 20 -0.786 10.142 -1.104 1.00 23.12 O ATOM 335 NE2 GLN A 20 -2.935 10.199 -0.627 1.00 52.44 N ATOM 0 H GLN A 20 0.492 10.047 3.042 1.00 72.14 H new ATOM 0 HA GLN A 20 -0.691 7.484 2.964 1.00 32.13 H new ATOM 0 HB2 GLN A 20 0.726 9.093 0.799 1.00 63.41 H new ATOM 0 HB3 GLN A 20 -0.220 7.648 0.498 1.00 63.41 H new ATOM 0 HG2 GLN A 20 -2.248 8.760 1.395 1.00 52.13 H new ATOM 0 HG3 GLN A 20 -1.314 10.194 1.776 1.00 52.13 H new ATOM 0 HE21 GLN A 20 -3.679 10.006 0.043 1.00 52.44 H new ATOM 0 HE22 GLN A 20 -3.159 10.608 -1.534 1.00 52.44 H new ATOM 344 N LEU A 21 2.603 7.531 2.438 1.00 73.14 N ATOM 345 CA LEU A 21 3.836 6.707 2.442 1.00 40.12 C ATOM 346 C LEU A 21 4.129 6.096 3.831 1.00 44.32 C ATOM 347 O LEU A 21 4.798 5.067 3.914 1.00 44.42 O ATOM 348 CB LEU A 21 5.053 7.532 1.942 1.00 44.44 C ATOM 349 CG LEU A 21 4.969 8.026 0.461 1.00 74.54 C ATOM 350 CD1 LEU A 21 6.242 8.796 0.049 1.00 33.32 C ATOM 351 CD2 LEU A 21 4.676 6.851 -0.505 1.00 74.31 C ATOM 0 H LEU A 21 2.776 8.529 2.314 1.00 73.14 H new ATOM 0 HA LEU A 21 3.666 5.879 1.754 1.00 40.12 H new ATOM 0 HB2 LEU A 21 5.172 8.400 2.590 1.00 44.44 H new ATOM 0 HB3 LEU A 21 5.952 6.925 2.054 1.00 44.44 H new ATOM 0 HG LEU A 21 4.134 8.723 0.392 1.00 74.54 H new ATOM 0 HD11 LEU A 21 6.149 9.125 -0.986 1.00 33.32 H new ATOM 0 HD12 LEU A 21 6.367 9.664 0.696 1.00 33.32 H new ATOM 0 HD13 LEU A 21 7.110 8.143 0.146 1.00 33.32 H new ATOM 0 HD21 LEU A 21 4.623 7.225 -1.527 1.00 74.31 H new ATOM 0 HD22 LEU A 21 5.473 6.111 -0.430 1.00 74.31 H new ATOM 0 HD23 LEU A 21 3.725 6.389 -0.238 1.00 74.31 H new ATOM 363 N GLU A 22 3.642 6.735 4.918 1.00 64.25 N ATOM 364 CA GLU A 22 3.679 6.142 6.278 1.00 61.22 C ATOM 365 C GLU A 22 2.885 4.821 6.305 1.00 21.32 C ATOM 366 O GLU A 22 3.437 3.765 6.603 1.00 62.43 O ATOM 367 CB GLU A 22 3.118 7.133 7.349 1.00 10.24 C ATOM 368 CG GLU A 22 4.046 8.316 7.688 1.00 51.52 C ATOM 369 CD GLU A 22 5.361 7.868 8.347 1.00 3.44 C ATOM 370 OE1 GLU A 22 5.349 7.574 9.566 1.00 74.14 O ATOM 371 OE2 GLU A 22 6.402 7.780 7.654 1.00 44.01 O ATOM 0 H GLU A 22 3.218 7.662 4.882 1.00 64.25 H new ATOM 0 HA GLU A 22 4.721 5.937 6.526 1.00 61.22 H new ATOM 0 HB2 GLU A 22 2.166 7.527 6.994 1.00 10.24 H new ATOM 0 HB3 GLU A 22 2.912 6.578 8.264 1.00 10.24 H new ATOM 0 HG2 GLU A 22 4.271 8.869 6.776 1.00 51.52 H new ATOM 0 HG3 GLU A 22 3.525 9.002 8.356 1.00 51.52 H new ATOM 378 N GLU A 23 1.602 4.909 5.928 1.00 74.01 N ATOM 379 CA GLU A 23 0.658 3.768 5.944 1.00 21.10 C ATOM 380 C GLU A 23 1.077 2.645 4.964 1.00 45.13 C ATOM 381 O GLU A 23 1.067 1.465 5.323 1.00 51.05 O ATOM 382 CB GLU A 23 -0.762 4.282 5.602 1.00 0.44 C ATOM 383 CG GLU A 23 -1.287 5.413 6.518 1.00 5.14 C ATOM 384 CD GLU A 23 -1.639 4.958 7.946 1.00 43.33 C ATOM 385 OE1 GLU A 23 -0.721 4.766 8.785 1.00 53.42 O ATOM 386 OE2 GLU A 23 -2.838 4.797 8.245 1.00 34.31 O ATOM 0 H GLU A 23 1.181 5.778 5.600 1.00 74.01 H new ATOM 0 HA GLU A 23 0.668 3.332 6.943 1.00 21.10 H new ATOM 0 HB2 GLU A 23 -0.765 4.639 4.572 1.00 0.44 H new ATOM 0 HB3 GLU A 23 -1.457 3.444 5.651 1.00 0.44 H new ATOM 0 HG2 GLU A 23 -0.533 6.198 6.575 1.00 5.14 H new ATOM 0 HG3 GLU A 23 -2.173 5.854 6.061 1.00 5.14 H new ATOM 393 N LEU A 24 1.461 3.046 3.735 1.00 30.14 N ATOM 394 CA LEU A 24 1.909 2.125 2.662 1.00 34.40 C ATOM 395 C LEU A 24 3.152 1.299 3.097 1.00 44.53 C ATOM 396 O LEU A 24 3.162 0.074 2.951 1.00 10.24 O ATOM 397 CB LEU A 24 2.216 2.928 1.363 1.00 44.52 C ATOM 398 CG LEU A 24 0.982 3.548 0.616 1.00 63.10 C ATOM 399 CD1 LEU A 24 1.419 4.585 -0.445 1.00 71.32 C ATOM 400 CD2 LEU A 24 0.097 2.449 -0.011 1.00 22.23 C ATOM 0 H LEU A 24 1.470 4.026 3.454 1.00 30.14 H new ATOM 0 HA LEU A 24 1.101 1.421 2.465 1.00 34.40 H new ATOM 0 HB2 LEU A 24 2.903 3.735 1.615 1.00 44.52 H new ATOM 0 HB3 LEU A 24 2.739 2.269 0.670 1.00 44.52 H new ATOM 0 HG LEU A 24 0.384 4.074 1.360 1.00 63.10 H new ATOM 0 HD11 LEU A 24 0.538 4.992 -0.941 1.00 71.32 H new ATOM 0 HD12 LEU A 24 1.968 5.392 0.040 1.00 71.32 H new ATOM 0 HD13 LEU A 24 2.060 4.103 -1.183 1.00 71.32 H new ATOM 0 HD21 LEU A 24 -0.749 2.910 -0.521 1.00 22.23 H new ATOM 0 HD22 LEU A 24 0.684 1.874 -0.728 1.00 22.23 H new ATOM 0 HD23 LEU A 24 -0.269 1.786 0.773 1.00 22.23 H new ATOM 412 N GLU A 25 4.186 1.990 3.641 1.00 22.12 N ATOM 413 CA GLU A 25 5.414 1.336 4.159 1.00 60.25 C ATOM 414 C GLU A 25 5.122 0.432 5.377 1.00 52.23 C ATOM 415 O GLU A 25 5.687 -0.644 5.481 1.00 14.43 O ATOM 416 CB GLU A 25 6.504 2.383 4.533 1.00 13.34 C ATOM 417 CG GLU A 25 7.213 3.053 3.334 1.00 45.01 C ATOM 418 CD GLU A 25 8.163 2.141 2.522 1.00 61.44 C ATOM 419 OE1 GLU A 25 8.487 1.002 2.948 1.00 44.30 O ATOM 420 OE2 GLU A 25 8.624 2.585 1.453 1.00 54.21 O ATOM 0 H GLU A 25 4.192 3.006 3.732 1.00 22.12 H new ATOM 0 HA GLU A 25 5.790 0.709 3.351 1.00 60.25 H new ATOM 0 HB2 GLU A 25 6.044 3.160 5.143 1.00 13.34 H new ATOM 0 HB3 GLU A 25 7.256 1.895 5.153 1.00 13.34 H new ATOM 0 HG2 GLU A 25 6.453 3.447 2.660 1.00 45.01 H new ATOM 0 HG3 GLU A 25 7.784 3.905 3.703 1.00 45.01 H new ATOM 427 N LYS A 26 4.246 0.883 6.298 1.00 60.21 N ATOM 428 CA LYS A 26 3.880 0.095 7.510 1.00 23.44 C ATOM 429 C LYS A 26 3.231 -1.257 7.143 1.00 0.11 C ATOM 430 O LYS A 26 3.559 -2.288 7.737 1.00 43.21 O ATOM 431 CB LYS A 26 2.959 0.924 8.444 1.00 14.11 C ATOM 432 CG LYS A 26 3.704 2.061 9.173 1.00 23.13 C ATOM 433 CD LYS A 26 2.760 3.034 9.917 1.00 41.32 C ATOM 434 CE LYS A 26 3.535 4.163 10.619 1.00 75.00 C ATOM 435 NZ LYS A 26 4.446 4.869 9.688 1.00 44.44 N ATOM 0 H LYS A 26 3.776 1.786 6.233 1.00 60.21 H new ATOM 0 HA LYS A 26 4.801 -0.129 8.048 1.00 23.44 H new ATOM 0 HB2 LYS A 26 2.144 1.349 7.858 1.00 14.11 H new ATOM 0 HB3 LYS A 26 2.508 0.261 9.182 1.00 14.11 H new ATOM 0 HG2 LYS A 26 4.404 1.628 9.887 1.00 23.13 H new ATOM 0 HG3 LYS A 26 4.295 2.622 8.449 1.00 23.13 H new ATOM 0 HD2 LYS A 26 2.052 3.465 9.209 1.00 41.32 H new ATOM 0 HD3 LYS A 26 2.177 2.482 10.654 1.00 41.32 H new ATOM 0 HE2 LYS A 26 2.830 4.876 11.047 1.00 75.00 H new ATOM 0 HE3 LYS A 26 4.111 3.748 11.446 1.00 75.00 H new ATOM 0 HZ1 LYS A 26 4.512 5.871 9.960 1.00 44.44 H new ATOM 0 HZ2 LYS A 26 5.390 4.435 9.731 1.00 44.44 H new ATOM 0 HZ3 LYS A 26 4.076 4.797 8.719 1.00 44.44 H new ATOM 449 N VAL A 27 2.335 -1.239 6.144 1.00 63.43 N ATOM 450 CA VAL A 27 1.740 -2.469 5.585 1.00 50.45 C ATOM 451 C VAL A 27 2.824 -3.323 4.874 1.00 21.30 C ATOM 452 O VAL A 27 2.884 -4.524 5.088 1.00 61.43 O ATOM 453 CB VAL A 27 0.548 -2.142 4.607 1.00 63.41 C ATOM 454 CG1 VAL A 27 -0.028 -3.423 3.934 1.00 4.05 C ATOM 455 CG2 VAL A 27 -0.566 -1.366 5.362 1.00 4.43 C ATOM 0 H VAL A 27 2.003 -0.381 5.702 1.00 63.43 H new ATOM 0 HA VAL A 27 1.332 -3.049 6.413 1.00 50.45 H new ATOM 0 HB VAL A 27 0.940 -1.513 3.808 1.00 63.41 H new ATOM 0 HG11 VAL A 27 -0.847 -3.148 3.269 1.00 4.05 H new ATOM 0 HG12 VAL A 27 0.756 -3.916 3.359 1.00 4.05 H new ATOM 0 HG13 VAL A 27 -0.397 -4.103 4.702 1.00 4.05 H new ATOM 0 HG21 VAL A 27 -1.384 -1.145 4.677 1.00 4.43 H new ATOM 0 HG22 VAL A 27 -0.938 -1.974 6.187 1.00 4.43 H new ATOM 0 HG23 VAL A 27 -0.159 -0.434 5.753 1.00 4.43 H new ATOM 465 N PHE A 28 3.708 -2.661 4.093 1.00 72.52 N ATOM 466 CA PHE A 28 4.792 -3.320 3.303 1.00 12.12 C ATOM 467 C PHE A 28 5.837 -4.055 4.195 1.00 13.41 C ATOM 468 O PHE A 28 6.317 -5.139 3.841 1.00 12.55 O ATOM 469 CB PHE A 28 5.497 -2.255 2.416 1.00 74.53 C ATOM 470 CG PHE A 28 6.585 -2.797 1.480 1.00 72.50 C ATOM 471 CD1 PHE A 28 6.247 -3.576 0.370 1.00 61.12 C ATOM 472 CD2 PHE A 28 7.942 -2.532 1.706 1.00 63.14 C ATOM 473 CE1 PHE A 28 7.223 -4.073 -0.473 1.00 51.43 C ATOM 474 CE2 PHE A 28 8.917 -3.031 0.858 1.00 50.34 C ATOM 475 CZ PHE A 28 8.557 -3.802 -0.232 1.00 63.32 C ATOM 0 H PHE A 28 3.695 -1.647 3.987 1.00 72.52 H new ATOM 0 HA PHE A 28 4.326 -4.085 2.682 1.00 12.12 H new ATOM 0 HB2 PHE A 28 4.742 -1.750 1.814 1.00 74.53 H new ATOM 0 HB3 PHE A 28 5.942 -1.502 3.066 1.00 74.53 H new ATOM 0 HD1 PHE A 28 5.208 -3.793 0.168 1.00 61.12 H new ATOM 0 HD2 PHE A 28 8.232 -1.930 2.554 1.00 63.14 H new ATOM 0 HE1 PHE A 28 6.942 -4.676 -1.324 1.00 51.43 H new ATOM 0 HE2 PHE A 28 9.959 -2.818 1.048 1.00 50.34 H new ATOM 0 HZ PHE A 28 9.316 -4.192 -0.894 1.00 63.32 H new ATOM 485 N GLN A 29 6.182 -3.453 5.347 1.00 0.12 N ATOM 486 CA GLN A 29 7.227 -3.984 6.264 1.00 70.45 C ATOM 487 C GLN A 29 6.661 -5.078 7.201 1.00 31.44 C ATOM 488 O GLN A 29 7.414 -5.912 7.714 1.00 61.22 O ATOM 489 CB GLN A 29 7.866 -2.825 7.085 1.00 52.05 C ATOM 490 CG GLN A 29 8.511 -1.703 6.224 1.00 73.14 C ATOM 491 CD GLN A 29 9.679 -2.167 5.340 1.00 1.44 C ATOM 492 OE1 GLN A 29 10.434 -3.061 5.701 1.00 32.12 O ATOM 493 NE2 GLN A 29 9.826 -1.571 4.170 1.00 30.24 N ATOM 0 H GLN A 29 5.751 -2.588 5.675 1.00 0.12 H new ATOM 0 HA GLN A 29 8.002 -4.449 5.655 1.00 70.45 H new ATOM 0 HB2 GLN A 29 7.100 -2.382 7.721 1.00 52.05 H new ATOM 0 HB3 GLN A 29 8.627 -3.241 7.745 1.00 52.05 H new ATOM 0 HG2 GLN A 29 7.743 -1.264 5.587 1.00 73.14 H new ATOM 0 HG3 GLN A 29 8.865 -0.913 6.886 1.00 73.14 H new ATOM 0 HE21 GLN A 29 9.184 -0.829 3.892 1.00 30.24 H new ATOM 0 HE22 GLN A 29 10.581 -1.853 3.545 1.00 30.24 H new ATOM 502 N LYS A 30 5.335 -5.061 7.435 1.00 61.13 N ATOM 503 CA LYS A 30 4.633 -6.134 8.185 1.00 42.32 C ATOM 504 C LYS A 30 4.230 -7.308 7.244 1.00 10.45 C ATOM 505 O LYS A 30 4.158 -8.469 7.675 1.00 3.21 O ATOM 506 CB LYS A 30 3.385 -5.551 8.902 1.00 74.24 C ATOM 507 CG LYS A 30 3.707 -4.515 10.008 1.00 20.35 C ATOM 508 CD LYS A 30 2.450 -3.861 10.656 1.00 45.21 C ATOM 509 CE LYS A 30 1.671 -4.792 11.621 1.00 63.05 C ATOM 510 NZ LYS A 30 1.029 -5.949 10.941 1.00 54.04 N ATOM 0 H LYS A 30 4.720 -4.313 7.115 1.00 61.13 H new ATOM 0 HA LYS A 30 5.316 -6.533 8.935 1.00 42.32 H new ATOM 0 HB2 LYS A 30 2.740 -5.082 8.159 1.00 74.24 H new ATOM 0 HB3 LYS A 30 2.819 -6.371 9.343 1.00 74.24 H new ATOM 0 HG2 LYS A 30 4.292 -5.003 10.788 1.00 20.35 H new ATOM 0 HG3 LYS A 30 4.333 -3.730 9.584 1.00 20.35 H new ATOM 0 HD2 LYS A 30 2.759 -2.969 11.201 1.00 45.21 H new ATOM 0 HD3 LYS A 30 1.777 -3.533 9.864 1.00 45.21 H new ATOM 0 HE2 LYS A 30 2.354 -5.163 12.385 1.00 63.05 H new ATOM 0 HE3 LYS A 30 0.904 -4.211 12.134 1.00 63.05 H new ATOM 0 HZ1 LYS A 30 0.095 -6.125 11.362 1.00 54.04 H new ATOM 0 HZ2 LYS A 30 0.918 -5.739 9.929 1.00 54.04 H new ATOM 0 HZ3 LYS A 30 1.625 -6.794 11.056 1.00 54.04 H new ATOM 524 N THR A 31 3.961 -6.976 5.964 1.00 35.35 N ATOM 525 CA THR A 31 3.648 -7.956 4.893 1.00 65.42 C ATOM 526 C THR A 31 3.883 -7.334 3.495 1.00 12.22 C ATOM 527 O THR A 31 3.301 -6.310 3.141 1.00 13.15 O ATOM 528 CB THR A 31 2.179 -8.529 4.987 1.00 20.12 C ATOM 529 OG1 THR A 31 1.951 -9.488 3.931 1.00 3.33 O ATOM 530 CG2 THR A 31 1.089 -7.432 4.934 1.00 22.01 C ATOM 0 H THR A 31 3.954 -6.010 5.637 1.00 35.35 H new ATOM 0 HA THR A 31 4.329 -8.795 5.040 1.00 65.42 H new ATOM 0 HB THR A 31 2.099 -9.011 5.961 1.00 20.12 H new ATOM 0 HG1 THR A 31 1.223 -9.174 3.356 1.00 3.33 H new ATOM 0 HG21 THR A 31 0.104 -7.894 5.003 1.00 22.01 H new ATOM 0 HG22 THR A 31 1.226 -6.743 5.767 1.00 22.01 H new ATOM 0 HG23 THR A 31 1.168 -6.886 3.994 1.00 22.01 H new ATOM 538 N HIS A 32 4.748 -7.968 2.689 1.00 21.12 N ATOM 539 CA HIS A 32 5.054 -7.498 1.312 1.00 45.32 C ATOM 540 C HIS A 32 3.886 -7.786 0.328 1.00 24.24 C ATOM 541 O HIS A 32 3.891 -7.316 -0.810 1.00 21.30 O ATOM 542 CB HIS A 32 6.372 -8.147 0.822 1.00 14.20 C ATOM 543 CG HIS A 32 7.551 -7.852 1.714 1.00 22.52 C ATOM 544 ND1 HIS A 32 8.090 -8.771 2.590 1.00 22.45 N ATOM 545 CD2 HIS A 32 8.295 -6.730 1.859 1.00 2.35 C ATOM 546 CE1 HIS A 32 9.098 -8.226 3.233 1.00 54.14 C ATOM 547 NE2 HIS A 32 9.247 -6.991 2.810 1.00 42.33 N ATOM 0 H HIS A 32 5.254 -8.811 2.960 1.00 21.12 H new ATOM 0 HA HIS A 32 5.179 -6.416 1.340 1.00 45.32 H new ATOM 0 HB2 HIS A 32 6.235 -9.226 0.758 1.00 14.20 H new ATOM 0 HB3 HIS A 32 6.590 -7.793 -0.186 1.00 14.20 H new ATOM 0 HD2 HIS A 32 8.163 -5.801 1.324 1.00 2.35 H new ATOM 0 HE1 HIS A 32 9.703 -8.712 3.984 1.00 54.14 H new ATOM 0 HE2 HIS A 32 9.956 -6.334 3.136 1.00 42.33 H new ATOM 556 N TYR A 33 2.875 -8.539 0.805 1.00 63.13 N ATOM 557 CA TYR A 33 1.691 -8.942 0.022 1.00 70.23 C ATOM 558 C TYR A 33 0.369 -8.575 0.774 1.00 23.30 C ATOM 559 O TYR A 33 -0.089 -9.318 1.653 1.00 71.32 O ATOM 560 CB TYR A 33 1.771 -10.469 -0.319 1.00 23.24 C ATOM 561 CG TYR A 33 2.071 -11.410 0.875 1.00 53.15 C ATOM 562 CD1 TYR A 33 3.364 -11.521 1.405 1.00 64.54 C ATOM 563 CD2 TYR A 33 1.068 -12.184 1.470 1.00 30.54 C ATOM 564 CE1 TYR A 33 3.639 -12.355 2.470 1.00 62.41 C ATOM 565 CE2 TYR A 33 1.342 -13.018 2.539 1.00 41.34 C ATOM 566 CZ TYR A 33 2.627 -13.101 3.036 1.00 21.35 C ATOM 567 OH TYR A 33 2.896 -13.930 4.107 1.00 12.54 O ATOM 0 H TYR A 33 2.859 -8.890 1.762 1.00 63.13 H new ATOM 0 HA TYR A 33 1.681 -8.389 -0.917 1.00 70.23 H new ATOM 0 HB2 TYR A 33 0.825 -10.772 -0.768 1.00 23.24 H new ATOM 0 HB3 TYR A 33 2.543 -10.614 -1.075 1.00 23.24 H new ATOM 0 HD1 TYR A 33 4.164 -10.940 0.970 1.00 64.54 H new ATOM 0 HD2 TYR A 33 0.060 -12.129 1.087 1.00 30.54 H new ATOM 0 HE1 TYR A 33 4.644 -12.423 2.859 1.00 62.41 H new ATOM 0 HE2 TYR A 33 0.551 -13.604 2.984 1.00 41.34 H new ATOM 0 HH TYR A 33 2.072 -14.382 4.385 1.00 12.54 H new ATOM 577 N PRO A 34 -0.246 -7.386 0.479 1.00 55.12 N ATOM 578 CA PRO A 34 -1.578 -7.024 1.028 1.00 60.13 C ATOM 579 C PRO A 34 -2.737 -7.750 0.273 1.00 33.43 C ATOM 580 O PRO A 34 -2.854 -7.646 -0.956 1.00 10.00 O ATOM 581 CB PRO A 34 -1.620 -5.483 0.839 1.00 41.11 C ATOM 582 CG PRO A 34 -0.760 -5.226 -0.370 1.00 31.55 C ATOM 583 CD PRO A 34 0.321 -6.299 -0.367 1.00 40.12 C ATOM 0 HA PRO A 34 -1.714 -7.326 2.066 1.00 60.13 H new ATOM 0 HB2 PRO A 34 -2.639 -5.130 0.683 1.00 41.11 H new ATOM 0 HB3 PRO A 34 -1.235 -4.965 1.717 1.00 41.11 H new ATOM 0 HG2 PRO A 34 -1.352 -5.274 -1.284 1.00 31.55 H new ATOM 0 HG3 PRO A 34 -0.319 -4.230 -0.328 1.00 31.55 H new ATOM 0 HD2 PRO A 34 0.536 -6.651 -1.376 1.00 40.12 H new ATOM 0 HD3 PRO A 34 1.257 -5.921 0.045 1.00 40.12 H new ATOM 591 N ASP A 35 -3.563 -8.514 1.015 1.00 0.01 N ATOM 592 CA ASP A 35 -4.744 -9.224 0.450 1.00 31.11 C ATOM 593 C ASP A 35 -5.868 -8.228 0.053 1.00 25.21 C ATOM 594 O ASP A 35 -5.778 -7.046 0.385 1.00 52.21 O ATOM 595 CB ASP A 35 -5.263 -10.264 1.469 1.00 43.11 C ATOM 596 CG ASP A 35 -5.668 -9.626 2.806 1.00 63.42 C ATOM 597 OD1 ASP A 35 -4.801 -9.463 3.691 1.00 25.22 O ATOM 598 OD2 ASP A 35 -6.853 -9.261 2.970 1.00 23.22 O ATOM 0 H ASP A 35 -3.438 -8.660 2.017 1.00 0.01 H new ATOM 0 HA ASP A 35 -4.435 -9.741 -0.459 1.00 31.11 H new ATOM 0 HB2 ASP A 35 -6.120 -10.787 1.045 1.00 43.11 H new ATOM 0 HB3 ASP A 35 -4.490 -11.011 1.646 1.00 43.11 H new ATOM 603 N VAL A 36 -6.939 -8.729 -0.610 1.00 13.30 N ATOM 604 CA VAL A 36 -8.050 -7.880 -1.142 1.00 44.55 C ATOM 605 C VAL A 36 -8.680 -6.957 -0.055 1.00 23.25 C ATOM 606 O VAL A 36 -8.974 -5.788 -0.319 1.00 3.33 O ATOM 607 CB VAL A 36 -9.177 -8.757 -1.825 1.00 73.53 C ATOM 608 CG1 VAL A 36 -9.901 -9.673 -0.805 1.00 44.13 C ATOM 609 CG2 VAL A 36 -10.198 -7.881 -2.603 1.00 41.41 C ATOM 0 H VAL A 36 -7.063 -9.725 -0.794 1.00 13.30 H new ATOM 0 HA VAL A 36 -7.597 -7.237 -1.896 1.00 44.55 H new ATOM 0 HB VAL A 36 -8.673 -9.402 -2.545 1.00 73.53 H new ATOM 0 HG11 VAL A 36 -10.666 -10.256 -1.318 1.00 44.13 H new ATOM 0 HG12 VAL A 36 -9.179 -10.347 -0.345 1.00 44.13 H new ATOM 0 HG13 VAL A 36 -10.368 -9.061 -0.034 1.00 44.13 H new ATOM 0 HG21 VAL A 36 -10.955 -8.521 -3.057 1.00 41.41 H new ATOM 0 HG22 VAL A 36 -10.677 -7.184 -1.916 1.00 41.41 H new ATOM 0 HG23 VAL A 36 -9.679 -7.323 -3.383 1.00 41.41 H new ATOM 619 N TYR A 37 -8.827 -7.490 1.172 1.00 1.54 N ATOM 620 CA TYR A 37 -9.407 -6.753 2.312 1.00 21.11 C ATOM 621 C TYR A 37 -8.408 -5.697 2.833 1.00 31.33 C ATOM 622 O TYR A 37 -8.789 -4.560 3.126 1.00 14.41 O ATOM 623 CB TYR A 37 -9.808 -7.747 3.433 1.00 20.24 C ATOM 624 CG TYR A 37 -10.581 -7.118 4.599 1.00 41.34 C ATOM 625 CD1 TYR A 37 -11.927 -6.775 4.452 1.00 41.04 C ATOM 626 CD2 TYR A 37 -9.977 -6.873 5.838 1.00 1.11 C ATOM 627 CE1 TYR A 37 -12.640 -6.211 5.492 1.00 23.23 C ATOM 628 CE2 TYR A 37 -10.688 -6.310 6.881 1.00 64.05 C ATOM 629 CZ TYR A 37 -12.018 -5.980 6.704 1.00 3.22 C ATOM 630 OH TYR A 37 -12.729 -5.422 7.743 1.00 33.10 O ATOM 0 H TYR A 37 -8.547 -8.444 1.402 1.00 1.54 H new ATOM 0 HA TYR A 37 -10.304 -6.229 1.981 1.00 21.11 H new ATOM 0 HB2 TYR A 37 -10.416 -8.540 2.997 1.00 20.24 H new ATOM 0 HB3 TYR A 37 -8.905 -8.216 3.824 1.00 20.24 H new ATOM 0 HD1 TYR A 37 -12.419 -6.954 3.508 1.00 41.04 H new ATOM 0 HD2 TYR A 37 -8.937 -7.128 5.981 1.00 1.11 H new ATOM 0 HE1 TYR A 37 -13.680 -5.952 5.358 1.00 23.23 H new ATOM 0 HE2 TYR A 37 -10.206 -6.129 7.830 1.00 64.05 H new ATOM 0 HH TYR A 37 -12.146 -5.327 8.525 1.00 33.10 H new ATOM 640 N ALA A 38 -7.119 -6.092 2.916 1.00 72.20 N ATOM 641 CA ALA A 38 -6.011 -5.192 3.333 1.00 1.35 C ATOM 642 C ALA A 38 -5.810 -4.018 2.338 1.00 73.34 C ATOM 643 O ALA A 38 -5.379 -2.934 2.735 1.00 62.32 O ATOM 644 CB ALA A 38 -4.707 -5.989 3.493 1.00 35.14 C ATOM 0 H ALA A 38 -6.813 -7.040 2.697 1.00 72.20 H new ATOM 0 HA ALA A 38 -6.285 -4.760 4.295 1.00 1.35 H new ATOM 0 HB1 ALA A 38 -3.905 -5.317 3.798 1.00 35.14 H new ATOM 0 HB2 ALA A 38 -4.843 -6.760 4.251 1.00 35.14 H new ATOM 0 HB3 ALA A 38 -4.447 -6.456 2.543 1.00 35.14 H new ATOM 650 N ARG A 39 -6.129 -4.262 1.046 1.00 0.43 N ATOM 651 CA ARG A 39 -6.123 -3.226 -0.015 1.00 51.14 C ATOM 652 C ARG A 39 -7.161 -2.119 0.296 1.00 1.22 C ATOM 653 O ARG A 39 -6.853 -0.929 0.228 1.00 51.14 O ATOM 654 CB ARG A 39 -6.456 -3.861 -1.395 1.00 52.21 C ATOM 655 CG ARG A 39 -5.441 -4.893 -1.926 1.00 13.13 C ATOM 656 CD ARG A 39 -4.074 -4.279 -2.231 1.00 10.04 C ATOM 657 NE ARG A 39 -3.133 -5.266 -2.792 1.00 73.34 N ATOM 658 CZ ARG A 39 -2.408 -5.104 -3.876 1.00 72.15 C ATOM 659 NH1 ARG A 39 -2.592 -4.086 -4.669 1.00 71.01 N ATOM 660 NH2 ARG A 39 -1.538 -6.006 -4.192 1.00 24.44 N ATOM 0 H ARG A 39 -6.399 -5.186 0.708 1.00 0.43 H new ATOM 0 HA ARG A 39 -5.126 -2.786 -0.047 1.00 51.14 H new ATOM 0 HB2 ARG A 39 -7.431 -4.343 -1.325 1.00 52.21 H new ATOM 0 HB3 ARG A 39 -6.548 -3.060 -2.129 1.00 52.21 H new ATOM 0 HG2 ARG A 39 -5.321 -5.689 -1.191 1.00 13.13 H new ATOM 0 HG3 ARG A 39 -5.838 -5.353 -2.831 1.00 13.13 H new ATOM 0 HD2 ARG A 39 -4.196 -3.455 -2.934 1.00 10.04 H new ATOM 0 HD3 ARG A 39 -3.655 -3.858 -1.317 1.00 10.04 H new ATOM 0 HE ARG A 39 -3.036 -6.152 -2.295 1.00 73.34 H new ATOM 0 HH11 ARG A 39 -3.311 -3.395 -4.453 1.00 71.01 H new ATOM 0 HH12 ARG A 39 -2.017 -3.980 -5.505 1.00 71.01 H new ATOM 0 HH21 ARG A 39 -1.421 -6.830 -3.603 1.00 24.44 H new ATOM 0 HH22 ARG A 39 -0.968 -5.893 -5.031 1.00 24.44 H new ATOM 674 N GLU A 40 -8.388 -2.557 0.649 1.00 54.05 N ATOM 675 CA GLU A 40 -9.538 -1.664 0.937 1.00 34.13 C ATOM 676 C GLU A 40 -9.313 -0.836 2.231 1.00 60.34 C ATOM 677 O GLU A 40 -9.557 0.375 2.257 1.00 64.01 O ATOM 678 CB GLU A 40 -10.828 -2.510 1.077 1.00 0.30 C ATOM 679 CG GLU A 40 -11.146 -3.421 -0.124 1.00 65.43 C ATOM 680 CD GLU A 40 -12.349 -4.348 0.125 1.00 14.31 C ATOM 681 OE1 GLU A 40 -12.246 -5.239 0.992 1.00 52.11 O ATOM 682 OE2 GLU A 40 -13.405 -4.185 -0.534 1.00 44.45 O ATOM 0 H GLU A 40 -8.613 -3.547 0.744 1.00 54.05 H new ATOM 0 HA GLU A 40 -9.637 -0.965 0.107 1.00 34.13 H new ATOM 0 HB2 GLU A 40 -10.743 -3.129 1.970 1.00 0.30 H new ATOM 0 HB3 GLU A 40 -11.670 -1.836 1.235 1.00 0.30 H new ATOM 0 HG2 GLU A 40 -11.346 -2.802 -0.999 1.00 65.43 H new ATOM 0 HG3 GLU A 40 -10.270 -4.027 -0.355 1.00 65.43 H new ATOM 689 N GLN A 41 -8.850 -1.520 3.303 1.00 63.12 N ATOM 690 CA GLN A 41 -8.546 -0.887 4.614 1.00 74.15 C ATOM 691 C GLN A 41 -7.439 0.180 4.478 1.00 44.22 C ATOM 692 O GLN A 41 -7.541 1.271 5.034 1.00 1.41 O ATOM 693 CB GLN A 41 -8.129 -1.970 5.650 1.00 22.15 C ATOM 694 CG GLN A 41 -9.216 -3.025 5.947 1.00 0.11 C ATOM 695 CD GLN A 41 -10.483 -2.444 6.594 1.00 33.33 C ATOM 696 OE1 GLN A 41 -10.586 -2.346 7.812 1.00 24.53 O ATOM 697 NE2 GLN A 41 -11.458 -2.071 5.788 1.00 41.14 N ATOM 0 H GLN A 41 -8.676 -2.525 3.287 1.00 63.12 H new ATOM 0 HA GLN A 41 -9.450 -0.389 4.965 1.00 74.15 H new ATOM 0 HB2 GLN A 41 -7.237 -2.479 5.285 1.00 22.15 H new ATOM 0 HB3 GLN A 41 -7.856 -1.476 6.582 1.00 22.15 H new ATOM 0 HG2 GLN A 41 -9.490 -3.523 5.017 1.00 0.11 H new ATOM 0 HG3 GLN A 41 -8.799 -3.787 6.606 1.00 0.11 H new ATOM 0 HE21 GLN A 41 -11.348 -2.163 4.778 1.00 41.14 H new ATOM 0 HE22 GLN A 41 -12.322 -1.691 6.175 1.00 41.14 H new ATOM 706 N LEU A 42 -6.399 -0.153 3.705 1.00 73.21 N ATOM 707 CA LEU A 42 -5.286 0.768 3.408 1.00 31.13 C ATOM 708 C LEU A 42 -5.765 1.964 2.542 1.00 14.53 C ATOM 709 O LEU A 42 -5.360 3.103 2.777 1.00 2.34 O ATOM 710 CB LEU A 42 -4.152 -0.024 2.704 1.00 5.33 C ATOM 711 CG LEU A 42 -2.849 0.750 2.338 1.00 4.02 C ATOM 712 CD1 LEU A 42 -2.236 1.459 3.565 1.00 31.30 C ATOM 713 CD2 LEU A 42 -1.833 -0.210 1.681 1.00 24.43 C ATOM 0 H LEU A 42 -6.301 -1.068 3.265 1.00 73.21 H new ATOM 0 HA LEU A 42 -4.904 1.187 4.339 1.00 31.13 H new ATOM 0 HB2 LEU A 42 -3.877 -0.860 3.348 1.00 5.33 H new ATOM 0 HB3 LEU A 42 -4.559 -0.449 1.786 1.00 5.33 H new ATOM 0 HG LEU A 42 -3.109 1.530 1.623 1.00 4.02 H new ATOM 0 HD11 LEU A 42 -1.330 1.986 3.266 1.00 31.30 H new ATOM 0 HD12 LEU A 42 -2.954 2.172 3.969 1.00 31.30 H new ATOM 0 HD13 LEU A 42 -1.991 0.720 4.327 1.00 31.30 H new ATOM 0 HD21 LEU A 42 -0.925 0.338 1.428 1.00 24.43 H new ATOM 0 HD22 LEU A 42 -1.590 -1.014 2.376 1.00 24.43 H new ATOM 0 HD23 LEU A 42 -2.266 -0.633 0.774 1.00 24.43 H new ATOM 725 N ALA A 43 -6.658 1.677 1.572 1.00 4.23 N ATOM 726 CA ALA A 43 -7.203 2.682 0.621 1.00 43.22 C ATOM 727 C ALA A 43 -7.976 3.824 1.335 1.00 52.43 C ATOM 728 O ALA A 43 -7.682 5.009 1.120 1.00 52.31 O ATOM 729 CB ALA A 43 -8.103 1.982 -0.419 1.00 40.25 C ATOM 0 H ALA A 43 -7.026 0.738 1.422 1.00 4.23 H new ATOM 0 HA ALA A 43 -6.357 3.149 0.117 1.00 43.22 H new ATOM 0 HB1 ALA A 43 -8.500 2.722 -1.114 1.00 40.25 H new ATOM 0 HB2 ALA A 43 -7.518 1.245 -0.969 1.00 40.25 H new ATOM 0 HB3 ALA A 43 -8.928 1.483 0.090 1.00 40.25 H new ATOM 735 N MET A 44 -8.949 3.451 2.200 1.00 34.12 N ATOM 736 CA MET A 44 -9.789 4.426 2.953 1.00 64.52 C ATOM 737 C MET A 44 -8.948 5.318 3.908 1.00 65.11 C ATOM 738 O MET A 44 -9.275 6.489 4.121 1.00 22.13 O ATOM 739 CB MET A 44 -10.913 3.697 3.749 1.00 64.44 C ATOM 740 CG MET A 44 -10.427 2.680 4.798 1.00 51.42 C ATOM 741 SD MET A 44 -11.770 1.930 5.750 1.00 50.21 S ATOM 742 CE MET A 44 -12.413 3.337 6.665 1.00 2.23 C ATOM 0 H MET A 44 -9.176 2.476 2.398 1.00 34.12 H new ATOM 0 HA MET A 44 -10.247 5.081 2.212 1.00 64.52 H new ATOM 0 HB2 MET A 44 -11.524 4.447 4.251 1.00 64.44 H new ATOM 0 HB3 MET A 44 -11.560 3.181 3.040 1.00 64.44 H new ATOM 0 HG2 MET A 44 -9.864 1.893 4.296 1.00 51.42 H new ATOM 0 HG3 MET A 44 -9.740 3.176 5.483 1.00 51.42 H new ATOM 0 HE1 MET A 44 -13.037 2.983 7.486 1.00 2.23 H new ATOM 0 HE2 MET A 44 -11.584 3.920 7.065 1.00 2.23 H new ATOM 0 HE3 MET A 44 -13.009 3.962 6.000 1.00 2.23 H new ATOM 752 N ARG A 45 -7.868 4.746 4.471 1.00 34.01 N ATOM 753 CA ARG A 45 -6.954 5.462 5.396 1.00 0.12 C ATOM 754 C ARG A 45 -6.019 6.436 4.639 1.00 35.11 C ATOM 755 O ARG A 45 -5.777 7.551 5.098 1.00 72.31 O ATOM 756 CB ARG A 45 -6.130 4.431 6.213 1.00 11.41 C ATOM 757 CG ARG A 45 -6.990 3.579 7.180 1.00 64.24 C ATOM 758 CD ARG A 45 -6.225 2.399 7.804 1.00 14.12 C ATOM 759 NE ARG A 45 -5.029 2.829 8.559 1.00 0.43 N ATOM 760 CZ ARG A 45 -4.740 2.492 9.799 1.00 14.32 C ATOM 761 NH1 ARG A 45 -5.580 1.823 10.523 1.00 41.45 N ATOM 762 NH2 ARG A 45 -3.616 2.864 10.317 1.00 44.03 N ATOM 0 H ARG A 45 -7.600 3.777 4.301 1.00 34.01 H new ATOM 0 HA ARG A 45 -7.557 6.063 6.077 1.00 0.12 H new ATOM 0 HB2 ARG A 45 -5.607 3.768 5.524 1.00 11.41 H new ATOM 0 HB3 ARG A 45 -5.368 4.959 6.786 1.00 11.41 H new ATOM 0 HG2 ARG A 45 -7.368 4.219 7.977 1.00 64.24 H new ATOM 0 HG3 ARG A 45 -7.857 3.196 6.641 1.00 64.24 H new ATOM 0 HD2 ARG A 45 -6.892 1.850 8.469 1.00 14.12 H new ATOM 0 HD3 ARG A 45 -5.923 1.709 7.016 1.00 14.12 H new ATOM 0 HE ARG A 45 -4.370 3.440 8.077 1.00 0.43 H new ATOM 0 HH11 ARG A 45 -6.482 1.548 10.135 1.00 41.45 H new ATOM 0 HH12 ARG A 45 -5.339 1.571 11.481 1.00 41.45 H new ATOM 0 HH21 ARG A 45 -2.958 3.416 9.766 1.00 44.03 H new ATOM 0 HH22 ARG A 45 -3.387 2.606 11.277 1.00 44.03 H new ATOM 776 N THR A 46 -5.512 6.008 3.465 1.00 2.40 N ATOM 777 CA THR A 46 -4.547 6.806 2.667 1.00 62.41 C ATOM 778 C THR A 46 -5.231 7.827 1.734 1.00 23.25 C ATOM 779 O THR A 46 -4.536 8.650 1.147 1.00 62.34 O ATOM 780 CB THR A 46 -3.622 5.901 1.790 1.00 54.04 C ATOM 781 OG1 THR A 46 -4.409 5.079 0.912 1.00 34.14 O ATOM 782 CG2 THR A 46 -2.698 5.024 2.646 1.00 54.41 C ATOM 0 H THR A 46 -5.754 5.111 3.044 1.00 2.40 H new ATOM 0 HA THR A 46 -3.955 7.343 3.409 1.00 62.41 H new ATOM 0 HB THR A 46 -2.992 6.562 1.195 1.00 54.04 H new ATOM 0 HG1 THR A 46 -4.806 4.342 1.422 1.00 34.14 H new ATOM 0 HG21 THR A 46 -2.073 4.412 1.996 1.00 54.41 H new ATOM 0 HG22 THR A 46 -2.065 5.659 3.265 1.00 54.41 H new ATOM 0 HG23 THR A 46 -3.299 4.378 3.285 1.00 54.41 H new ATOM 790 N ASP A 47 -6.578 7.734 1.563 1.00 5.11 N ATOM 791 CA ASP A 47 -7.356 8.601 0.623 1.00 10.14 C ATOM 792 C ASP A 47 -7.067 8.223 -0.879 1.00 5.31 C ATOM 793 O ASP A 47 -7.513 8.897 -1.812 1.00 71.51 O ATOM 794 CB ASP A 47 -7.098 10.116 0.958 1.00 74.11 C ATOM 795 CG ASP A 47 -7.858 11.132 0.087 1.00 11.11 C ATOM 796 OD1 ASP A 47 -9.090 11.251 0.226 1.00 34.21 O ATOM 797 OD2 ASP A 47 -7.221 11.838 -0.738 1.00 62.23 O ATOM 0 H ASP A 47 -7.156 7.062 2.068 1.00 5.11 H new ATOM 0 HA ASP A 47 -8.423 8.424 0.761 1.00 10.14 H new ATOM 0 HB2 ASP A 47 -7.364 10.289 2.001 1.00 74.11 H new ATOM 0 HB3 ASP A 47 -6.030 10.313 0.865 1.00 74.11 H new ATOM 802 N LEU A 48 -6.357 7.096 -1.088 1.00 22.21 N ATOM 803 CA LEU A 48 -6.034 6.551 -2.428 1.00 73.44 C ATOM 804 C LEU A 48 -7.029 5.438 -2.804 1.00 64.24 C ATOM 805 O LEU A 48 -7.672 4.858 -1.935 1.00 3.44 O ATOM 806 CB LEU A 48 -4.592 5.974 -2.415 1.00 31.41 C ATOM 807 CG LEU A 48 -3.446 6.998 -2.119 1.00 65.13 C ATOM 808 CD1 LEU A 48 -2.116 6.274 -1.811 1.00 63.53 C ATOM 809 CD2 LEU A 48 -3.282 8.010 -3.285 1.00 72.22 C ATOM 0 H LEU A 48 -5.986 6.530 -0.325 1.00 22.21 H new ATOM 0 HA LEU A 48 -6.105 7.352 -3.164 1.00 73.44 H new ATOM 0 HB2 LEU A 48 -4.546 5.181 -1.668 1.00 31.41 H new ATOM 0 HB3 LEU A 48 -4.398 5.512 -3.383 1.00 31.41 H new ATOM 0 HG LEU A 48 -3.727 7.563 -1.230 1.00 65.13 H new ATOM 0 HD11 LEU A 48 -1.339 7.011 -1.609 1.00 63.53 H new ATOM 0 HD12 LEU A 48 -2.244 5.634 -0.938 1.00 63.53 H new ATOM 0 HD13 LEU A 48 -1.826 5.666 -2.668 1.00 63.53 H new ATOM 0 HD21 LEU A 48 -2.479 8.708 -3.050 1.00 72.22 H new ATOM 0 HD22 LEU A 48 -3.039 7.473 -4.202 1.00 72.22 H new ATOM 0 HD23 LEU A 48 -4.213 8.560 -3.423 1.00 72.22 H new ATOM 821 N THR A 49 -7.150 5.143 -4.105 1.00 2.21 N ATOM 822 CA THR A 49 -7.923 3.968 -4.575 1.00 52.31 C ATOM 823 C THR A 49 -7.033 2.714 -4.624 1.00 45.12 C ATOM 824 O THR A 49 -5.798 2.807 -4.537 1.00 3.44 O ATOM 825 CB THR A 49 -8.549 4.203 -5.987 1.00 43.13 C ATOM 826 OG1 THR A 49 -7.513 4.431 -6.960 1.00 41.10 O ATOM 827 CG2 THR A 49 -9.532 5.389 -5.981 1.00 51.13 C ATOM 0 H THR A 49 -6.728 5.693 -4.853 1.00 2.21 H new ATOM 0 HA THR A 49 -8.732 3.820 -3.859 1.00 52.31 H new ATOM 0 HB THR A 49 -9.106 3.305 -6.255 1.00 43.13 H new ATOM 0 HG1 THR A 49 -7.918 4.575 -7.841 1.00 41.10 H new ATOM 0 HG21 THR A 49 -9.947 5.522 -6.980 1.00 51.13 H new ATOM 0 HG22 THR A 49 -10.339 5.189 -5.276 1.00 51.13 H new ATOM 0 HG23 THR A 49 -9.006 6.296 -5.683 1.00 51.13 H new ATOM 835 N GLU A 50 -7.680 1.544 -4.798 1.00 43.43 N ATOM 836 CA GLU A 50 -6.999 0.233 -4.872 1.00 61.31 C ATOM 837 C GLU A 50 -5.989 0.220 -6.049 1.00 41.54 C ATOM 838 O GLU A 50 -4.908 -0.346 -5.934 1.00 61.31 O ATOM 839 CB GLU A 50 -8.070 -0.900 -5.013 1.00 22.13 C ATOM 840 CG GLU A 50 -7.645 -2.316 -4.544 1.00 42.43 C ATOM 841 CD GLU A 50 -6.614 -3.033 -5.438 1.00 61.11 C ATOM 842 OE1 GLU A 50 -7.000 -3.507 -6.527 1.00 32.44 O ATOM 843 OE2 GLU A 50 -5.421 -3.127 -5.060 1.00 44.03 O ATOM 0 H GLU A 50 -8.694 1.480 -4.892 1.00 43.43 H new ATOM 0 HA GLU A 50 -6.434 0.056 -3.957 1.00 61.31 H new ATOM 0 HB2 GLU A 50 -8.955 -0.605 -4.449 1.00 22.13 H new ATOM 0 HB3 GLU A 50 -8.365 -0.962 -6.060 1.00 22.13 H new ATOM 0 HG2 GLU A 50 -7.234 -2.238 -3.538 1.00 42.43 H new ATOM 0 HG3 GLU A 50 -8.537 -2.940 -4.477 1.00 42.43 H new ATOM 850 N ALA A 51 -6.353 0.904 -7.156 1.00 11.12 N ATOM 851 CA ALA A 51 -5.485 1.079 -8.347 1.00 32.22 C ATOM 852 C ALA A 51 -4.115 1.711 -7.988 1.00 42.03 C ATOM 853 O ALA A 51 -3.073 1.281 -8.491 1.00 71.31 O ATOM 854 CB ALA A 51 -6.217 1.940 -9.393 1.00 13.34 C ATOM 0 H ALA A 51 -7.263 1.354 -7.251 1.00 11.12 H new ATOM 0 HA ALA A 51 -5.279 0.091 -8.760 1.00 32.22 H new ATOM 0 HB1 ALA A 51 -5.580 2.069 -10.268 1.00 13.34 H new ATOM 0 HB2 ALA A 51 -7.143 1.446 -9.688 1.00 13.34 H new ATOM 0 HB3 ALA A 51 -6.447 2.916 -8.965 1.00 13.34 H new ATOM 860 N ARG A 52 -4.133 2.718 -7.097 1.00 25.34 N ATOM 861 CA ARG A 52 -2.901 3.425 -6.636 1.00 24.32 C ATOM 862 C ARG A 52 -2.089 2.548 -5.646 1.00 3.35 C ATOM 863 O ARG A 52 -0.857 2.645 -5.586 1.00 75.52 O ATOM 864 CB ARG A 52 -3.257 4.812 -6.003 1.00 30.45 C ATOM 865 CG ARG A 52 -3.568 5.948 -7.019 1.00 30.12 C ATOM 866 CD ARG A 52 -4.687 5.591 -8.019 1.00 65.34 C ATOM 867 NE ARG A 52 -5.010 6.694 -8.936 1.00 74.11 N ATOM 868 CZ ARG A 52 -5.280 6.576 -10.224 1.00 1.33 C ATOM 869 NH1 ARG A 52 -5.244 5.423 -10.822 1.00 24.31 N ATOM 870 NH2 ARG A 52 -5.581 7.627 -10.898 1.00 75.33 N ATOM 0 H ARG A 52 -4.990 3.071 -6.672 1.00 25.34 H new ATOM 0 HA ARG A 52 -2.272 3.606 -7.508 1.00 24.32 H new ATOM 0 HB2 ARG A 52 -4.121 4.684 -5.351 1.00 30.45 H new ATOM 0 HB3 ARG A 52 -2.426 5.129 -5.372 1.00 30.45 H new ATOM 0 HG2 ARG A 52 -3.854 6.846 -6.471 1.00 30.12 H new ATOM 0 HG3 ARG A 52 -2.660 6.188 -7.572 1.00 30.12 H new ATOM 0 HD2 ARG A 52 -4.384 4.720 -8.600 1.00 65.34 H new ATOM 0 HD3 ARG A 52 -5.584 5.310 -7.467 1.00 65.34 H new ATOM 0 HE ARG A 52 -5.027 7.635 -8.542 1.00 74.11 H new ATOM 0 HH11 ARG A 52 -5.003 4.583 -10.296 1.00 24.31 H new ATOM 0 HH12 ARG A 52 -5.457 5.358 -11.817 1.00 24.31 H new ATOM 0 HH21 ARG A 52 -5.609 8.537 -10.438 1.00 75.33 H new ATOM 0 HH22 ARG A 52 -5.792 7.552 -11.893 1.00 75.33 H new ATOM 884 N VAL A 53 -2.803 1.691 -4.888 1.00 1.01 N ATOM 885 CA VAL A 53 -2.185 0.677 -3.998 1.00 51.24 C ATOM 886 C VAL A 53 -1.473 -0.430 -4.841 1.00 2.24 C ATOM 887 O VAL A 53 -0.421 -0.948 -4.443 1.00 55.34 O ATOM 888 CB VAL A 53 -3.261 0.042 -3.027 1.00 3.55 C ATOM 889 CG1 VAL A 53 -2.625 -0.983 -2.056 1.00 41.33 C ATOM 890 CG2 VAL A 53 -4.025 1.143 -2.238 1.00 1.31 C ATOM 0 H VAL A 53 -3.823 1.679 -4.873 1.00 1.01 H new ATOM 0 HA VAL A 53 -1.435 1.176 -3.383 1.00 51.24 H new ATOM 0 HB VAL A 53 -3.978 -0.493 -3.650 1.00 3.55 H new ATOM 0 HG11 VAL A 53 -3.397 -1.396 -1.406 1.00 41.33 H new ATOM 0 HG12 VAL A 53 -2.163 -1.788 -2.628 1.00 41.33 H new ATOM 0 HG13 VAL A 53 -1.867 -0.488 -1.449 1.00 41.33 H new ATOM 0 HG21 VAL A 53 -4.757 0.677 -1.579 1.00 1.31 H new ATOM 0 HG22 VAL A 53 -3.318 1.721 -1.643 1.00 1.31 H new ATOM 0 HG23 VAL A 53 -4.536 1.804 -2.938 1.00 1.31 H new ATOM 900 N GLN A 54 -2.049 -0.758 -6.026 1.00 54.13 N ATOM 901 CA GLN A 54 -1.422 -1.687 -7.003 1.00 14.34 C ATOM 902 C GLN A 54 -0.082 -1.113 -7.510 1.00 3.22 C ATOM 903 O GLN A 54 0.954 -1.763 -7.396 1.00 3.34 O ATOM 904 CB GLN A 54 -2.349 -1.961 -8.227 1.00 1.00 C ATOM 905 CG GLN A 54 -3.703 -2.602 -7.884 1.00 41.03 C ATOM 906 CD GLN A 54 -4.606 -2.860 -9.100 1.00 1.15 C ATOM 907 OE1 GLN A 54 -4.526 -2.182 -10.118 1.00 23.42 O ATOM 908 NE2 GLN A 54 -5.505 -3.808 -8.990 1.00 54.23 N ATOM 0 H GLN A 54 -2.951 -0.391 -6.329 1.00 54.13 H new ATOM 0 HA GLN A 54 -1.253 -2.628 -6.480 1.00 14.34 H new ATOM 0 HB2 GLN A 54 -2.530 -1.019 -8.745 1.00 1.00 H new ATOM 0 HB3 GLN A 54 -1.822 -2.612 -8.925 1.00 1.00 H new ATOM 0 HG2 GLN A 54 -3.525 -3.547 -7.371 1.00 41.03 H new ATOM 0 HG3 GLN A 54 -4.232 -1.955 -7.184 1.00 41.03 H new ATOM 0 HE21 GLN A 54 -5.559 -4.363 -8.136 1.00 54.23 H new ATOM 0 HE22 GLN A 54 -6.151 -3.990 -9.758 1.00 54.23 H new ATOM 917 N VAL A 55 -0.129 0.136 -8.031 1.00 61.14 N ATOM 918 CA VAL A 55 1.048 0.814 -8.632 1.00 62.22 C ATOM 919 C VAL A 55 2.221 0.924 -7.627 1.00 12.54 C ATOM 920 O VAL A 55 3.372 0.637 -7.984 1.00 65.01 O ATOM 921 CB VAL A 55 0.686 2.253 -9.181 1.00 11.12 C ATOM 922 CG1 VAL A 55 1.923 2.955 -9.819 1.00 34.13 C ATOM 923 CG2 VAL A 55 -0.488 2.186 -10.191 1.00 14.45 C ATOM 0 H VAL A 55 -0.978 0.701 -8.047 1.00 61.14 H new ATOM 0 HA VAL A 55 1.361 0.192 -9.471 1.00 62.22 H new ATOM 0 HB VAL A 55 0.369 2.853 -8.328 1.00 11.12 H new ATOM 0 HG11 VAL A 55 1.634 3.940 -10.184 1.00 34.13 H new ATOM 0 HG12 VAL A 55 2.708 3.061 -9.070 1.00 34.13 H new ATOM 0 HG13 VAL A 55 2.294 2.355 -10.650 1.00 34.13 H new ATOM 0 HG21 VAL A 55 -0.715 3.189 -10.552 1.00 14.45 H new ATOM 0 HG22 VAL A 55 -0.208 1.552 -11.033 1.00 14.45 H new ATOM 0 HG23 VAL A 55 -1.367 1.769 -9.700 1.00 14.45 H new ATOM 933 N TRP A 56 1.907 1.306 -6.366 1.00 41.15 N ATOM 934 CA TRP A 56 2.931 1.472 -5.311 1.00 45.14 C ATOM 935 C TRP A 56 3.617 0.117 -4.991 1.00 34.04 C ATOM 936 O TRP A 56 4.824 -0.002 -5.147 1.00 40.12 O ATOM 937 CB TRP A 56 2.341 2.097 -4.015 1.00 33.40 C ATOM 938 CG TRP A 56 3.408 2.552 -3.022 1.00 34.34 C ATOM 939 CD1 TRP A 56 4.053 3.762 -3.010 1.00 0.12 C ATOM 940 CD2 TRP A 56 3.968 1.803 -1.926 1.00 15.23 C ATOM 941 NE1 TRP A 56 4.947 3.813 -1.972 1.00 12.23 N ATOM 942 CE2 TRP A 56 4.916 2.629 -1.296 1.00 61.45 C ATOM 943 CE3 TRP A 56 3.751 0.526 -1.411 1.00 72.34 C ATOM 944 CZ2 TRP A 56 5.644 2.216 -0.183 1.00 5.32 C ATOM 945 CZ3 TRP A 56 4.477 0.114 -0.312 1.00 4.42 C ATOM 946 CH2 TRP A 56 5.412 0.957 0.294 1.00 54.21 C ATOM 0 H TRP A 56 0.955 1.504 -6.057 1.00 41.15 H new ATOM 0 HA TRP A 56 3.678 2.164 -5.699 1.00 45.14 H new ATOM 0 HB2 TRP A 56 1.717 2.950 -4.283 1.00 33.40 H new ATOM 0 HB3 TRP A 56 1.692 1.367 -3.531 1.00 33.40 H new ATOM 0 HD1 TRP A 56 3.881 4.560 -3.717 1.00 0.12 H new ATOM 0 HE1 TRP A 56 5.541 4.610 -1.742 1.00 12.23 H new ATOM 0 HE3 TRP A 56 3.025 -0.132 -1.866 1.00 72.34 H new ATOM 0 HZ2 TRP A 56 6.366 2.868 0.286 1.00 5.32 H new ATOM 0 HZ3 TRP A 56 4.320 -0.877 0.087 1.00 4.42 H new ATOM 0 HH2 TRP A 56 5.961 0.607 1.155 1.00 54.21 H new ATOM 957 N PHE A 57 2.824 -0.899 -4.576 1.00 31.31 N ATOM 958 CA PHE A 57 3.358 -2.222 -4.136 1.00 33.15 C ATOM 959 C PHE A 57 4.091 -2.999 -5.260 1.00 35.34 C ATOM 960 O PHE A 57 5.108 -3.631 -4.991 1.00 32.34 O ATOM 961 CB PHE A 57 2.236 -3.100 -3.497 1.00 65.15 C ATOM 962 CG PHE A 57 1.945 -2.747 -2.039 1.00 22.01 C ATOM 963 CD1 PHE A 57 2.653 -3.365 -1.003 1.00 24.53 C ATOM 964 CD2 PHE A 57 1.000 -1.785 -1.699 1.00 40.20 C ATOM 965 CE1 PHE A 57 2.412 -3.037 0.317 1.00 53.21 C ATOM 966 CE2 PHE A 57 0.761 -1.460 -0.381 1.00 71.21 C ATOM 967 CZ PHE A 57 1.469 -2.081 0.629 1.00 34.42 C ATOM 0 H PHE A 57 1.807 -0.833 -4.535 1.00 31.31 H new ATOM 0 HA PHE A 57 4.109 -2.002 -3.377 1.00 33.15 H new ATOM 0 HB2 PHE A 57 1.322 -2.988 -4.080 1.00 65.15 H new ATOM 0 HB3 PHE A 57 2.527 -4.149 -3.558 1.00 65.15 H new ATOM 0 HD1 PHE A 57 3.399 -4.110 -1.239 1.00 24.53 H new ATOM 0 HD2 PHE A 57 0.445 -1.285 -2.479 1.00 40.20 H new ATOM 0 HE1 PHE A 57 2.962 -3.530 1.105 1.00 53.21 H new ATOM 0 HE2 PHE A 57 0.017 -0.716 -0.137 1.00 71.21 H new ATOM 0 HZ PHE A 57 1.285 -1.819 1.660 1.00 34.42 H new ATOM 977 N GLN A 58 3.591 -2.946 -6.509 1.00 22.20 N ATOM 978 CA GLN A 58 4.235 -3.650 -7.654 1.00 70.34 C ATOM 979 C GLN A 58 5.596 -3.008 -8.019 1.00 43.12 C ATOM 980 O GLN A 58 6.558 -3.707 -8.348 1.00 41.03 O ATOM 981 CB GLN A 58 3.294 -3.656 -8.883 1.00 24.10 C ATOM 982 CG GLN A 58 1.984 -4.450 -8.674 1.00 31.54 C ATOM 983 CD GLN A 58 1.003 -4.333 -9.844 1.00 75.23 C ATOM 984 OE1 GLN A 58 0.977 -3.332 -10.549 1.00 44.20 O ATOM 985 NE2 GLN A 58 0.173 -5.339 -10.045 1.00 61.11 N ATOM 0 H GLN A 58 2.748 -2.428 -6.759 1.00 22.20 H new ATOM 0 HA GLN A 58 4.423 -4.680 -7.349 1.00 70.34 H new ATOM 0 HB2 GLN A 58 3.045 -2.627 -9.141 1.00 24.10 H new ATOM 0 HB3 GLN A 58 3.829 -4.077 -9.734 1.00 24.10 H new ATOM 0 HG2 GLN A 58 2.227 -5.501 -8.518 1.00 31.54 H new ATOM 0 HG3 GLN A 58 1.496 -4.097 -7.765 1.00 31.54 H new ATOM 0 HE21 GLN A 58 0.214 -6.162 -9.444 1.00 61.11 H new ATOM 0 HE22 GLN A 58 -0.510 -5.293 -10.801 1.00 61.11 H new ATOM 994 N ASN A 59 5.659 -1.670 -7.943 1.00 31.21 N ATOM 995 CA ASN A 59 6.901 -0.907 -8.203 1.00 43.13 C ATOM 996 C ASN A 59 7.905 -1.091 -7.025 1.00 60.44 C ATOM 997 O ASN A 59 9.105 -1.259 -7.233 1.00 44.21 O ATOM 998 CB ASN A 59 6.541 0.596 -8.409 1.00 74.52 C ATOM 999 CG ASN A 59 7.621 1.426 -9.113 1.00 11.21 C ATOM 1000 OD1 ASN A 59 8.804 1.133 -9.048 1.00 73.52 O ATOM 1001 ND2 ASN A 59 7.215 2.482 -9.795 1.00 43.23 N ATOM 0 H ASN A 59 4.859 -1.085 -7.702 1.00 31.21 H new ATOM 0 HA ASN A 59 7.382 -1.281 -9.107 1.00 43.13 H new ATOM 0 HB2 ASN A 59 5.620 0.658 -8.988 1.00 74.52 H new ATOM 0 HB3 ASN A 59 6.336 1.043 -7.436 1.00 74.52 H new ATOM 0 HD21 ASN A 59 7.895 3.069 -10.279 1.00 43.23 H new ATOM 0 HD22 ASN A 59 6.222 2.711 -9.838 1.00 43.23 H new ATOM 1008 N ARG A 60 7.365 -1.108 -5.794 1.00 41.33 N ATOM 1009 CA ARG A 60 8.144 -1.171 -4.535 1.00 31.32 C ATOM 1010 C ARG A 60 8.832 -2.550 -4.356 1.00 13.34 C ATOM 1011 O ARG A 60 10.009 -2.627 -3.985 1.00 3.25 O ATOM 1012 CB ARG A 60 7.191 -0.868 -3.345 1.00 53.35 C ATOM 1013 CG ARG A 60 7.862 -0.728 -1.969 1.00 14.41 C ATOM 1014 CD ARG A 60 8.827 0.464 -1.880 1.00 4.32 C ATOM 1015 NE ARG A 60 9.370 0.594 -0.519 1.00 34.14 N ATOM 1016 CZ ARG A 60 10.623 0.409 -0.161 1.00 51.14 C ATOM 1017 NH1 ARG A 60 11.531 0.084 -1.034 1.00 43.45 N ATOM 1018 NH2 ARG A 60 10.952 0.566 1.078 1.00 71.41 N ATOM 0 H ARG A 60 6.357 -1.078 -5.638 1.00 41.33 H new ATOM 0 HA ARG A 60 8.939 -0.426 -4.571 1.00 31.32 H new ATOM 0 HB2 ARG A 60 6.653 0.055 -3.561 1.00 53.35 H new ATOM 0 HB3 ARG A 60 6.449 -1.664 -3.287 1.00 53.35 H new ATOM 0 HG2 ARG A 60 7.091 -0.620 -1.206 1.00 14.41 H new ATOM 0 HG3 ARG A 60 8.407 -1.645 -1.744 1.00 14.41 H new ATOM 0 HD2 ARG A 60 9.643 0.332 -2.591 1.00 4.32 H new ATOM 0 HD3 ARG A 60 8.307 1.381 -2.158 1.00 4.32 H new ATOM 0 HE ARG A 60 8.713 0.852 0.217 1.00 34.14 H new ATOM 0 HH11 ARG A 60 11.277 -0.032 -2.015 1.00 43.45 H new ATOM 0 HH12 ARG A 60 12.497 -0.055 -0.737 1.00 43.45 H new ATOM 0 HH21 ARG A 60 10.245 0.830 1.764 1.00 71.41 H new ATOM 0 HH22 ARG A 60 11.919 0.426 1.371 1.00 71.41 H new ATOM 1032 N ARG A 61 8.076 -3.635 -4.638 1.00 61.33 N ATOM 1033 CA ARG A 61 8.597 -5.029 -4.604 1.00 71.34 C ATOM 1034 C ARG A 61 9.634 -5.282 -5.723 1.00 44.43 C ATOM 1035 O ARG A 61 10.476 -6.169 -5.589 1.00 61.54 O ATOM 1036 CB ARG A 61 7.447 -6.067 -4.709 1.00 63.34 C ATOM 1037 CG ARG A 61 6.480 -6.079 -3.508 1.00 4.44 C ATOM 1038 CD ARG A 61 5.335 -7.094 -3.670 1.00 72.35 C ATOM 1039 NE ARG A 61 5.817 -8.491 -3.729 1.00 51.34 N ATOM 1040 CZ ARG A 61 5.126 -9.548 -3.359 1.00 62.11 C ATOM 1041 NH1 ARG A 61 3.951 -9.441 -2.819 1.00 41.31 N ATOM 1042 NH2 ARG A 61 5.636 -10.723 -3.507 1.00 71.11 N ATOM 0 H ARG A 61 7.091 -3.574 -4.895 1.00 61.33 H new ATOM 0 HA ARG A 61 9.094 -5.152 -3.642 1.00 71.34 H new ATOM 0 HB2 ARG A 61 6.876 -5.867 -5.616 1.00 63.34 H new ATOM 0 HB3 ARG A 61 7.881 -7.061 -4.819 1.00 63.34 H new ATOM 0 HG2 ARG A 61 7.038 -6.311 -2.601 1.00 4.44 H new ATOM 0 HG3 ARG A 61 6.059 -5.082 -3.377 1.00 4.44 H new ATOM 0 HD2 ARG A 61 4.640 -6.988 -2.837 1.00 72.35 H new ATOM 0 HD3 ARG A 61 4.779 -6.867 -4.580 1.00 72.35 H new ATOM 0 HE ARG A 61 6.760 -8.648 -4.085 1.00 51.34 H new ATOM 0 HH11 ARG A 61 3.540 -8.519 -2.671 1.00 41.31 H new ATOM 0 HH12 ARG A 61 3.439 -10.278 -2.542 1.00 41.31 H new ATOM 0 HH21 ARG A 61 6.568 -10.828 -3.908 1.00 71.11 H new ATOM 0 HH22 ARG A 61 5.107 -11.548 -3.223 1.00 71.11 H new ATOM 1056 N ALA A 62 9.561 -4.495 -6.819 1.00 34.44 N ATOM 1057 CA ALA A 62 10.521 -4.580 -7.940 1.00 32.15 C ATOM 1058 C ALA A 62 11.953 -4.177 -7.485 1.00 1.23 C ATOM 1059 O ALA A 62 12.925 -4.868 -7.810 1.00 63.31 O ATOM 1060 CB ALA A 62 10.040 -3.722 -9.124 1.00 55.41 C ATOM 0 H ALA A 62 8.839 -3.787 -6.951 1.00 34.44 H new ATOM 0 HA ALA A 62 10.570 -5.616 -8.274 1.00 32.15 H new ATOM 0 HB1 ALA A 62 10.757 -3.795 -9.941 1.00 55.41 H new ATOM 0 HB2 ALA A 62 9.068 -4.080 -9.462 1.00 55.41 H new ATOM 0 HB3 ALA A 62 9.954 -2.682 -8.809 1.00 55.41 H new