USER MOD reduce.3.24.130724 H: found=0, std=0, add=395, rem=0, adj=9 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= -0.44 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 TYR OH : rot -167:sc= 0.32 USER MOD Single : A 20 GLN : amide:sc= 0.135 K(o=0.14,f=-3.8!) USER MOD Single : A 26 LYS NZ :NH3+ 149:sc= 0.677 (180deg=-0.0558) USER MOD Single : A 29 GLN : amide:sc= 0.164 X(o=0.16,f=-0.23) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 THR OG1 : rot -129:sc= 0.435 USER MOD Single : A 32 HIS : no HD1:sc= -0.139 X(o=-0.14,f=-0.063) 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 X(o=0,f=0) USER MOD Single : A 44 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot -74:sc= 0.774 USER MOD Single : A 49 THR OG1 : rot 180:sc= 0.112 USER MOD Single : A 54 GLN : amide:sc= -0.0864 K(o=-0.086,f=-0.69) USER MOD Single : A 58 GLN : amide:sc= -0.0997 K(o=-0.1,f=-2.8!) USER MOD Single : A 59 ASN : amide:sc= 0 X(o=0,f=-0.12) USER MOD ----------------------------------------------------------------- ATOM 261 N PHE A 16 2.187 10.977 -4.264 1.00 15.24 N ATOM 262 CA PHE A 16 2.020 10.540 -2.847 1.00 22.14 C ATOM 263 C PHE A 16 2.440 11.654 -1.839 1.00 13.20 C ATOM 264 O PHE A 16 3.082 12.645 -2.205 1.00 41.30 O ATOM 265 CB PHE A 16 2.781 9.215 -2.530 1.00 43.33 C ATOM 266 CG PHE A 16 2.385 8.019 -3.402 1.00 1.44 C ATOM 267 CD1 PHE A 16 1.218 7.300 -3.145 1.00 13.11 C ATOM 268 CD2 PHE A 16 3.179 7.610 -4.475 1.00 21.14 C ATOM 269 CE1 PHE A 16 0.864 6.217 -3.934 1.00 23.34 C ATOM 270 CE2 PHE A 16 2.823 6.532 -5.261 1.00 20.13 C ATOM 271 CZ PHE A 16 1.665 5.834 -4.989 1.00 21.24 C ATOM 0 HA PHE A 16 0.954 10.346 -2.724 1.00 22.14 H new ATOM 0 HB2 PHE A 16 3.851 9.391 -2.644 1.00 43.33 H new ATOM 0 HB3 PHE A 16 2.611 8.956 -1.485 1.00 43.33 H new ATOM 0 HD1 PHE A 16 0.583 7.591 -2.321 1.00 13.11 H new ATOM 0 HD2 PHE A 16 4.090 8.147 -4.695 1.00 21.14 H new ATOM 0 HE1 PHE A 16 -0.043 5.671 -3.722 1.00 23.34 H new ATOM 0 HE2 PHE A 16 3.451 6.236 -6.088 1.00 20.13 H new ATOM 0 HZ PHE A 16 1.386 4.989 -5.601 1.00 21.24 H new ATOM 281 N THR A 17 2.019 11.508 -0.572 1.00 43.34 N ATOM 282 CA THR A 17 2.464 12.395 0.540 1.00 61.11 C ATOM 283 C THR A 17 3.296 11.593 1.557 1.00 75.11 C ATOM 284 O THR A 17 3.359 10.359 1.479 1.00 13.11 O ATOM 285 CB THR A 17 1.260 13.063 1.293 1.00 3.32 C ATOM 286 OG1 THR A 17 0.504 12.074 2.014 1.00 3.31 O ATOM 287 CG2 THR A 17 0.332 13.822 0.326 1.00 24.42 C ATOM 0 H THR A 17 1.366 10.781 -0.281 1.00 43.34 H new ATOM 0 HA THR A 17 3.065 13.185 0.089 1.00 61.11 H new ATOM 0 HB THR A 17 1.679 13.783 1.997 1.00 3.32 H new ATOM 0 HG1 THR A 17 -0.242 12.507 2.479 1.00 3.31 H new ATOM 0 HG21 THR A 17 -0.489 14.270 0.886 1.00 24.42 H new ATOM 0 HG22 THR A 17 0.896 14.605 -0.180 1.00 24.42 H new ATOM 0 HG23 THR A 17 -0.069 13.128 -0.413 1.00 24.42 H new ATOM 295 N SER A 18 3.918 12.300 2.514 1.00 71.43 N ATOM 296 CA SER A 18 4.690 11.672 3.614 1.00 1.33 C ATOM 297 C SER A 18 3.793 10.737 4.462 1.00 13.40 C ATOM 298 O SER A 18 4.168 9.596 4.732 1.00 22.21 O ATOM 299 CB SER A 18 5.338 12.756 4.507 1.00 52.11 C ATOM 300 OG SER A 18 4.356 13.606 5.085 1.00 71.11 O ATOM 0 H SER A 18 3.904 13.319 2.553 1.00 71.43 H new ATOM 0 HA SER A 18 5.480 11.068 3.169 1.00 1.33 H new ATOM 0 HB2 SER A 18 5.919 12.280 5.296 1.00 52.11 H new ATOM 0 HB3 SER A 18 6.033 13.351 3.914 1.00 52.11 H new ATOM 0 HG SER A 18 4.795 14.280 5.645 1.00 71.11 H new ATOM 306 N TYR A 19 2.592 11.237 4.837 1.00 60.33 N ATOM 307 CA TYR A 19 1.558 10.455 5.567 1.00 43.04 C ATOM 308 C TYR A 19 1.160 9.160 4.807 1.00 35.14 C ATOM 309 O TYR A 19 1.139 8.071 5.393 1.00 22.31 O ATOM 310 CB TYR A 19 0.291 11.327 5.820 1.00 73.10 C ATOM 311 CG TYR A 19 -0.933 10.538 6.332 1.00 21.30 C ATOM 312 CD1 TYR A 19 -0.974 10.030 7.634 1.00 10.32 C ATOM 313 CD2 TYR A 19 -2.030 10.269 5.497 1.00 53.44 C ATOM 314 CE1 TYR A 19 -2.058 9.297 8.083 1.00 24.02 C ATOM 315 CE2 TYR A 19 -3.108 9.535 5.946 1.00 31.40 C ATOM 316 CZ TYR A 19 -3.122 9.052 7.238 1.00 55.21 C ATOM 317 OH TYR A 19 -4.203 8.321 7.688 1.00 44.11 O ATOM 0 H TYR A 19 2.309 12.197 4.642 1.00 60.33 H new ATOM 0 HA TYR A 19 1.995 10.162 6.522 1.00 43.04 H new ATOM 0 HB2 TYR A 19 0.537 12.103 6.545 1.00 73.10 H new ATOM 0 HB3 TYR A 19 0.021 11.832 4.892 1.00 73.10 H new ATOM 0 HD1 TYR A 19 -0.145 10.213 8.301 1.00 10.32 H new ATOM 0 HD2 TYR A 19 -2.029 10.644 4.484 1.00 53.44 H new ATOM 0 HE1 TYR A 19 -2.072 8.917 9.094 1.00 24.02 H new ATOM 0 HE2 TYR A 19 -3.940 9.339 5.287 1.00 31.40 H new ATOM 0 HH TYR A 19 -4.763 8.063 6.926 1.00 44.11 H new ATOM 327 N GLN A 20 0.817 9.310 3.508 1.00 42.23 N ATOM 328 CA GLN A 20 0.389 8.175 2.655 1.00 53.02 C ATOM 329 C GLN A 20 1.484 7.094 2.587 1.00 43.44 C ATOM 330 O GLN A 20 1.205 5.929 2.832 1.00 64.44 O ATOM 331 CB GLN A 20 0.000 8.662 1.233 1.00 5.32 C ATOM 332 CG GLN A 20 -1.241 9.578 1.211 1.00 35.23 C ATOM 333 CD GLN A 20 -1.569 10.137 -0.172 1.00 51.23 C ATOM 334 OE1 GLN A 20 -0.698 10.312 -1.015 1.00 40.43 O ATOM 335 NE2 GLN A 20 -2.820 10.471 -0.404 1.00 74.15 N ATOM 0 H GLN A 20 0.828 10.208 3.025 1.00 42.23 H new ATOM 0 HA GLN A 20 -0.496 7.729 3.110 1.00 53.02 H new ATOM 0 HB2 GLN A 20 0.844 9.197 0.798 1.00 5.32 H new ATOM 0 HB3 GLN A 20 -0.188 7.795 0.600 1.00 5.32 H new ATOM 0 HG2 GLN A 20 -2.101 9.019 1.580 1.00 35.23 H new ATOM 0 HG3 GLN A 20 -1.081 10.408 1.900 1.00 35.23 H new ATOM 0 HE21 GLN A 20 -3.530 10.317 0.312 1.00 74.15 H new ATOM 0 HE22 GLN A 20 -3.080 10.884 -1.300 1.00 74.15 H new ATOM 344 N LEU A 21 2.738 7.518 2.319 1.00 52.11 N ATOM 345 CA LEU A 21 3.909 6.610 2.269 1.00 64.04 C ATOM 346 C LEU A 21 4.141 5.874 3.611 1.00 32.12 C ATOM 347 O LEU A 21 4.604 4.739 3.604 1.00 12.43 O ATOM 348 CB LEU A 21 5.199 7.378 1.855 1.00 30.23 C ATOM 349 CG LEU A 21 5.232 7.921 0.391 1.00 43.55 C ATOM 350 CD1 LEU A 21 6.547 8.679 0.101 1.00 0.33 C ATOM 351 CD2 LEU A 21 4.994 6.783 -0.630 1.00 4.33 C ATOM 0 H LEU A 21 2.968 8.494 2.132 1.00 52.11 H new ATOM 0 HA LEU A 21 3.684 5.859 1.512 1.00 64.04 H new ATOM 0 HB2 LEU A 21 5.332 8.218 2.536 1.00 30.23 H new ATOM 0 HB3 LEU A 21 6.053 6.716 1.995 1.00 30.23 H new ATOM 0 HG LEU A 21 4.416 8.636 0.283 1.00 43.55 H new ATOM 0 HD11 LEU A 21 6.538 9.044 -0.926 1.00 0.33 H new ATOM 0 HD12 LEU A 21 6.639 9.523 0.785 1.00 0.33 H new ATOM 0 HD13 LEU A 21 7.393 8.006 0.239 1.00 0.33 H new ATOM 0 HD21 LEU A 21 5.022 7.189 -1.641 1.00 4.33 H new ATOM 0 HD22 LEU A 21 5.772 6.028 -0.521 1.00 4.33 H new ATOM 0 HD23 LEU A 21 4.020 6.329 -0.448 1.00 4.33 H new ATOM 363 N GLU A 22 3.813 6.528 4.751 1.00 74.25 N ATOM 364 CA GLU A 22 3.902 5.893 6.090 1.00 50.21 C ATOM 365 C GLU A 22 2.900 4.727 6.220 1.00 65.45 C ATOM 366 O GLU A 22 3.287 3.618 6.584 1.00 21.34 O ATOM 367 CB GLU A 22 3.656 6.922 7.234 1.00 52.43 C ATOM 368 CG GLU A 22 4.760 7.981 7.395 1.00 10.52 C ATOM 369 CD GLU A 22 6.163 7.375 7.611 1.00 1.40 C ATOM 370 OE1 GLU A 22 6.339 6.581 8.567 1.00 53.23 O ATOM 371 OE2 GLU A 22 7.102 7.720 6.861 1.00 51.41 O ATOM 0 H GLU A 22 3.485 7.494 4.771 1.00 74.25 H new ATOM 0 HA GLU A 22 4.916 5.505 6.188 1.00 50.21 H new ATOM 0 HB2 GLU A 22 2.709 7.429 7.050 1.00 52.43 H new ATOM 0 HB3 GLU A 22 3.551 6.381 8.174 1.00 52.43 H new ATOM 0 HG2 GLU A 22 4.778 8.614 6.508 1.00 10.52 H new ATOM 0 HG3 GLU A 22 4.516 8.624 8.240 1.00 10.52 H new ATOM 378 N GLU A 23 1.614 4.998 5.906 1.00 63.44 N ATOM 379 CA GLU A 23 0.527 3.987 5.981 1.00 22.21 C ATOM 380 C GLU A 23 0.793 2.788 5.037 1.00 12.44 C ATOM 381 O GLU A 23 0.637 1.624 5.429 1.00 31.32 O ATOM 382 CB GLU A 23 -0.841 4.639 5.633 1.00 74.22 C ATOM 383 CG GLU A 23 -1.246 5.839 6.513 1.00 32.22 C ATOM 384 CD GLU A 23 -1.382 5.482 8.003 1.00 4.40 C ATOM 385 OE1 GLU A 23 -2.448 4.962 8.411 1.00 41.10 O ATOM 386 OE2 GLU A 23 -0.428 5.712 8.778 1.00 54.10 O ATOM 0 H GLU A 23 1.298 5.917 5.595 1.00 63.44 H new ATOM 0 HA GLU A 23 0.500 3.610 7.004 1.00 22.21 H new ATOM 0 HB2 GLU A 23 -0.814 4.965 4.593 1.00 74.22 H new ATOM 0 HB3 GLU A 23 -1.617 3.877 5.708 1.00 74.22 H new ATOM 0 HG2 GLU A 23 -0.503 6.629 6.402 1.00 32.22 H new ATOM 0 HG3 GLU A 23 -2.194 6.240 6.155 1.00 32.22 H new ATOM 393 N LEU A 24 1.187 3.113 3.790 1.00 34.50 N ATOM 394 CA LEU A 24 1.562 2.129 2.747 1.00 64.41 C ATOM 395 C LEU A 24 2.724 1.211 3.231 1.00 55.12 C ATOM 396 O LEU A 24 2.658 -0.017 3.105 1.00 33.33 O ATOM 397 CB LEU A 24 1.962 2.886 1.446 1.00 75.13 C ATOM 398 CG LEU A 24 0.823 3.684 0.708 1.00 3.04 C ATOM 399 CD1 LEU A 24 1.400 4.685 -0.319 1.00 13.22 C ATOM 400 CD2 LEU A 24 -0.190 2.735 0.037 1.00 30.01 C ATOM 0 H LEU A 24 1.256 4.079 3.471 1.00 34.50 H new ATOM 0 HA LEU A 24 0.705 1.488 2.542 1.00 64.41 H new ATOM 0 HB2 LEU A 24 2.761 3.585 1.692 1.00 75.13 H new ATOM 0 HB3 LEU A 24 2.377 2.161 0.746 1.00 75.13 H new ATOM 0 HG LEU A 24 0.293 4.257 1.469 1.00 3.04 H new ATOM 0 HD11 LEU A 24 0.583 5.216 -0.808 1.00 13.22 H new ATOM 0 HD12 LEU A 24 2.044 5.400 0.192 1.00 13.22 H new ATOM 0 HD13 LEU A 24 1.980 4.145 -1.067 1.00 13.22 H new ATOM 0 HD21 LEU A 24 -0.962 3.321 -0.463 1.00 30.01 H new ATOM 0 HD22 LEU A 24 0.324 2.113 -0.695 1.00 30.01 H new ATOM 0 HD23 LEU A 24 -0.650 2.100 0.794 1.00 30.01 H new ATOM 412 N GLU A 25 3.776 1.843 3.800 1.00 74.34 N ATOM 413 CA GLU A 25 4.948 1.146 4.393 1.00 45.22 C ATOM 414 C GLU A 25 4.564 0.282 5.612 1.00 50.22 C ATOM 415 O GLU A 25 5.126 -0.785 5.802 1.00 24.01 O ATOM 416 CB GLU A 25 6.055 2.178 4.786 1.00 75.34 C ATOM 417 CG GLU A 25 7.005 2.578 3.641 1.00 32.13 C ATOM 418 CD GLU A 25 7.996 1.459 3.274 1.00 15.05 C ATOM 419 OE1 GLU A 25 9.075 1.384 3.896 1.00 21.01 O ATOM 420 OE2 GLU A 25 7.709 0.650 2.370 1.00 75.31 O ATOM 0 H GLU A 25 3.839 2.859 3.863 1.00 74.34 H new ATOM 0 HA GLU A 25 5.338 0.472 3.631 1.00 45.22 H new ATOM 0 HB2 GLU A 25 5.573 3.077 5.170 1.00 75.34 H new ATOM 0 HB3 GLU A 25 6.647 1.761 5.601 1.00 75.34 H new ATOM 0 HG2 GLU A 25 6.417 2.840 2.761 1.00 32.13 H new ATOM 0 HG3 GLU A 25 7.561 3.470 3.930 1.00 32.13 H new ATOM 427 N LYS A 26 3.607 0.751 6.434 1.00 70.20 N ATOM 428 CA LYS A 26 3.127 0.000 7.625 1.00 72.53 C ATOM 429 C LYS A 26 2.563 -1.390 7.234 1.00 33.14 C ATOM 430 O LYS A 26 2.748 -2.364 7.961 1.00 43.02 O ATOM 431 CB LYS A 26 2.066 0.839 8.396 1.00 31.25 C ATOM 432 CG LYS A 26 2.667 2.001 9.234 1.00 14.21 C ATOM 433 CD LYS A 26 1.620 3.064 9.656 1.00 13.02 C ATOM 434 CE LYS A 26 0.410 2.485 10.418 1.00 0.02 C ATOM 435 NZ LYS A 26 -0.537 3.552 10.829 1.00 33.04 N ATOM 0 H LYS A 26 3.145 1.650 6.300 1.00 70.20 H new ATOM 0 HA LYS A 26 3.979 -0.173 8.282 1.00 72.53 H new ATOM 0 HB2 LYS A 26 1.354 1.251 7.681 1.00 31.25 H new ATOM 0 HB3 LYS A 26 1.507 0.178 9.058 1.00 31.25 H new ATOM 0 HG2 LYS A 26 3.136 1.589 10.128 1.00 14.21 H new ATOM 0 HG3 LYS A 26 3.454 2.486 8.656 1.00 14.21 H new ATOM 0 HD2 LYS A 26 2.108 3.811 10.283 1.00 13.02 H new ATOM 0 HD3 LYS A 26 1.262 3.580 8.765 1.00 13.02 H new ATOM 0 HE2 LYS A 26 -0.107 1.762 9.787 1.00 0.02 H new ATOM 0 HE3 LYS A 26 0.758 1.947 11.300 1.00 0.02 H new ATOM 0 HZ1 LYS A 26 -1.504 3.171 10.844 1.00 33.04 H new ATOM 0 HZ2 LYS A 26 -0.285 3.893 11.779 1.00 33.04 H new ATOM 0 HZ3 LYS A 26 -0.486 4.341 10.153 1.00 33.04 H new ATOM 449 N VAL A 27 1.901 -1.466 6.069 1.00 33.33 N ATOM 450 CA VAL A 27 1.388 -2.742 5.519 1.00 72.41 C ATOM 451 C VAL A 27 2.522 -3.545 4.815 1.00 72.40 C ATOM 452 O VAL A 27 2.603 -4.767 4.968 1.00 51.10 O ATOM 453 CB VAL A 27 0.188 -2.489 4.533 1.00 72.53 C ATOM 454 CG1 VAL A 27 -0.401 -3.822 3.989 1.00 34.34 C ATOM 455 CG2 VAL A 27 -0.908 -1.625 5.217 1.00 55.35 C ATOM 0 H VAL A 27 1.705 -0.655 5.482 1.00 33.33 H new ATOM 0 HA VAL A 27 1.020 -3.340 6.353 1.00 72.41 H new ATOM 0 HB VAL A 27 0.572 -1.937 3.675 1.00 72.53 H new ATOM 0 HG11 VAL A 27 -1.227 -3.605 3.312 1.00 34.34 H new ATOM 0 HG12 VAL A 27 0.374 -4.370 3.452 1.00 34.34 H new ATOM 0 HG13 VAL A 27 -0.763 -4.426 4.821 1.00 34.34 H new ATOM 0 HG21 VAL A 27 -1.730 -1.461 4.520 1.00 55.35 H new ATOM 0 HG22 VAL A 27 -1.280 -2.143 6.101 1.00 55.35 H new ATOM 0 HG23 VAL A 27 -0.484 -0.665 5.511 1.00 55.35 H new ATOM 465 N PHE A 28 3.408 -2.829 4.084 1.00 32.23 N ATOM 466 CA PHE A 28 4.532 -3.431 3.306 1.00 13.11 C ATOM 467 C PHE A 28 5.569 -4.158 4.206 1.00 11.54 C ATOM 468 O PHE A 28 6.085 -5.227 3.848 1.00 30.15 O ATOM 469 CB PHE A 28 5.232 -2.322 2.475 1.00 13.34 C ATOM 470 CG PHE A 28 6.360 -2.811 1.561 1.00 24.33 C ATOM 471 CD1 PHE A 28 6.073 -3.518 0.391 1.00 41.11 C ATOM 472 CD2 PHE A 28 7.705 -2.566 1.864 1.00 44.40 C ATOM 473 CE1 PHE A 28 7.086 -3.963 -0.438 1.00 21.04 C ATOM 474 CE2 PHE A 28 8.717 -3.011 1.033 1.00 21.30 C ATOM 475 CZ PHE A 28 8.408 -3.709 -0.118 1.00 21.52 C ATOM 0 H PHE A 28 3.369 -1.812 4.013 1.00 32.23 H new ATOM 0 HA PHE A 28 4.106 -4.188 2.648 1.00 13.11 H new ATOM 0 HB2 PHE A 28 4.482 -1.819 1.864 1.00 13.34 H new ATOM 0 HB3 PHE A 28 5.637 -1.577 3.160 1.00 13.34 H new ATOM 0 HD1 PHE A 28 5.045 -3.720 0.130 1.00 41.11 H new ATOM 0 HD2 PHE A 28 7.956 -2.020 2.762 1.00 44.40 H new ATOM 0 HE1 PHE A 28 6.845 -4.510 -1.337 1.00 21.04 H new ATOM 0 HE2 PHE A 28 9.749 -2.813 1.284 1.00 21.30 H new ATOM 0 HZ PHE A 28 9.198 -4.056 -0.768 1.00 21.52 H new ATOM 485 N GLN A 29 5.868 -3.553 5.362 1.00 43.33 N ATOM 486 CA GLN A 29 6.856 -4.081 6.325 1.00 60.03 C ATOM 487 C GLN A 29 6.300 -5.301 7.094 1.00 53.31 C ATOM 488 O GLN A 29 7.068 -6.162 7.528 1.00 72.42 O ATOM 489 CB GLN A 29 7.308 -2.960 7.306 1.00 63.24 C ATOM 490 CG GLN A 29 7.991 -1.749 6.617 1.00 33.42 C ATOM 491 CD GLN A 29 9.288 -2.099 5.876 1.00 35.32 C ATOM 492 OE1 GLN A 29 10.032 -2.990 6.275 1.00 11.50 O ATOM 493 NE2 GLN A 29 9.567 -1.413 4.783 1.00 31.23 N ATOM 0 H GLN A 29 5.433 -2.680 5.662 1.00 43.33 H new ATOM 0 HA GLN A 29 7.726 -4.421 5.764 1.00 60.03 H new ATOM 0 HB2 GLN A 29 6.439 -2.606 7.860 1.00 63.24 H new ATOM 0 HB3 GLN A 29 7.998 -3.386 8.034 1.00 63.24 H new ATOM 0 HG2 GLN A 29 7.290 -1.304 5.910 1.00 33.42 H new ATOM 0 HG3 GLN A 29 8.209 -0.992 7.370 1.00 33.42 H new ATOM 0 HE21 GLN A 29 8.936 -0.676 4.468 1.00 31.23 H new ATOM 0 HE22 GLN A 29 10.414 -1.620 4.253 1.00 31.23 H new ATOM 502 N LYS A 30 4.964 -5.364 7.272 1.00 33.31 N ATOM 503 CA LYS A 30 4.291 -6.553 7.855 1.00 64.44 C ATOM 504 C LYS A 30 4.252 -7.709 6.827 1.00 21.32 C ATOM 505 O LYS A 30 4.597 -8.852 7.148 1.00 63.01 O ATOM 506 CB LYS A 30 2.848 -6.216 8.320 1.00 21.53 C ATOM 507 CG LYS A 30 2.765 -5.176 9.462 1.00 64.12 C ATOM 508 CD LYS A 30 1.319 -4.959 9.975 1.00 63.14 C ATOM 509 CE LYS A 30 0.338 -4.523 8.867 1.00 3.12 C ATOM 510 NZ LYS A 30 -1.036 -4.328 9.385 1.00 72.32 N ATOM 0 H LYS A 30 4.327 -4.608 7.022 1.00 33.31 H new ATOM 0 HA LYS A 30 4.868 -6.864 8.726 1.00 64.44 H new ATOM 0 HB2 LYS A 30 2.283 -5.844 7.466 1.00 21.53 H new ATOM 0 HB3 LYS A 30 2.362 -7.135 8.647 1.00 21.53 H new ATOM 0 HG2 LYS A 30 3.394 -5.502 10.290 1.00 64.12 H new ATOM 0 HG3 LYS A 30 3.167 -4.226 9.111 1.00 64.12 H new ATOM 0 HD2 LYS A 30 0.959 -5.883 10.427 1.00 63.14 H new ATOM 0 HD3 LYS A 30 1.329 -4.203 10.760 1.00 63.14 H new ATOM 0 HE2 LYS A 30 0.690 -3.595 8.416 1.00 3.12 H new ATOM 0 HE3 LYS A 30 0.324 -5.276 8.079 1.00 3.12 H new ATOM 0 HZ1 LYS A 30 -1.662 -4.036 8.608 1.00 72.32 H new ATOM 0 HZ2 LYS A 30 -1.383 -5.220 9.792 1.00 72.32 H new ATOM 0 HZ3 LYS A 30 -1.029 -3.592 10.119 1.00 72.32 H new ATOM 524 N THR A 31 3.836 -7.386 5.588 1.00 4.14 N ATOM 525 CA THR A 31 3.739 -8.361 4.484 1.00 24.52 C ATOM 526 C THR A 31 4.000 -7.683 3.122 1.00 43.33 C ATOM 527 O THR A 31 3.499 -6.590 2.845 1.00 63.12 O ATOM 528 CB THR A 31 2.346 -9.090 4.448 1.00 24.20 C ATOM 529 OG1 THR A 31 2.291 -10.005 3.332 1.00 62.33 O ATOM 530 CG2 THR A 31 1.155 -8.104 4.369 1.00 4.01 C ATOM 0 H THR A 31 3.557 -6.441 5.323 1.00 4.14 H new ATOM 0 HA THR A 31 4.507 -9.112 4.670 1.00 24.52 H new ATOM 0 HB THR A 31 2.254 -9.637 5.386 1.00 24.20 H new ATOM 0 HG1 THR A 31 1.473 -9.844 2.817 1.00 62.33 H new ATOM 0 HG21 THR A 31 0.220 -8.664 4.347 1.00 4.01 H new ATOM 0 HG22 THR A 31 1.166 -7.450 5.241 1.00 4.01 H new ATOM 0 HG23 THR A 31 1.240 -7.503 3.464 1.00 4.01 H new ATOM 538 N HIS A 32 4.805 -8.352 2.284 1.00 41.30 N ATOM 539 CA HIS A 32 5.091 -7.911 0.898 1.00 74.45 C ATOM 540 C HIS A 32 3.959 -8.338 -0.068 1.00 31.44 C ATOM 541 O HIS A 32 3.916 -7.910 -1.222 1.00 40.32 O ATOM 542 CB HIS A 32 6.458 -8.487 0.444 1.00 35.32 C ATOM 543 CG HIS A 32 7.602 -8.019 1.298 1.00 63.20 C ATOM 544 ND1 HIS A 32 7.945 -8.611 2.498 1.00 32.55 N ATOM 545 CD2 HIS A 32 8.461 -6.988 1.142 1.00 2.11 C ATOM 546 CE1 HIS A 32 8.952 -7.962 3.036 1.00 4.42 C ATOM 547 NE2 HIS A 32 9.282 -6.973 2.237 1.00 35.14 N ATOM 0 H HIS A 32 5.280 -9.217 2.542 1.00 41.30 H new ATOM 0 HA HIS A 32 5.140 -6.822 0.877 1.00 74.45 H new ATOM 0 HB2 HIS A 32 6.414 -9.576 0.469 1.00 35.32 H new ATOM 0 HB3 HIS A 32 6.642 -8.199 -0.591 1.00 35.32 H new ATOM 0 HD2 HIS A 32 8.494 -6.303 0.308 1.00 2.11 H new ATOM 0 HE1 HIS A 32 9.428 -8.201 3.976 1.00 4.42 H new ATOM 0 HE2 HIS A 32 10.031 -6.301 2.406 1.00 35.14 H new ATOM 556 N TYR A 33 3.040 -9.190 0.430 1.00 13.30 N ATOM 557 CA TYR A 33 1.874 -9.684 -0.325 1.00 73.14 C ATOM 558 C TYR A 33 0.566 -9.255 0.400 1.00 35.31 C ATOM 559 O TYR A 33 0.052 -10.001 1.248 1.00 54.43 O ATOM 560 CB TYR A 33 1.952 -11.230 -0.465 1.00 74.25 C ATOM 561 CG TYR A 33 3.256 -11.737 -1.099 1.00 31.43 C ATOM 562 CD1 TYR A 33 3.386 -11.844 -2.486 1.00 72.34 C ATOM 563 CD2 TYR A 33 4.364 -12.091 -0.314 1.00 55.11 C ATOM 564 CE1 TYR A 33 4.563 -12.285 -3.064 1.00 74.03 C ATOM 565 CE2 TYR A 33 5.542 -12.528 -0.890 1.00 72.12 C ATOM 566 CZ TYR A 33 5.636 -12.626 -2.267 1.00 42.30 C ATOM 567 OH TYR A 33 6.812 -13.058 -2.844 1.00 21.53 O ATOM 0 H TYR A 33 3.089 -9.558 1.380 1.00 13.30 H new ATOM 0 HA TYR A 33 1.874 -9.252 -1.326 1.00 73.14 H new ATOM 0 HB2 TYR A 33 1.842 -11.680 0.522 1.00 74.25 H new ATOM 0 HB3 TYR A 33 1.111 -11.573 -1.067 1.00 74.25 H new ATOM 0 HD1 TYR A 33 2.552 -11.578 -3.119 1.00 72.34 H new ATOM 0 HD2 TYR A 33 4.295 -12.021 0.761 1.00 55.11 H new ATOM 0 HE1 TYR A 33 4.642 -12.362 -4.138 1.00 74.03 H new ATOM 0 HE2 TYR A 33 6.385 -12.792 -0.268 1.00 72.12 H new ATOM 0 HH TYR A 33 7.467 -13.256 -2.143 1.00 21.53 H new ATOM 577 N PRO A 34 0.030 -8.022 0.118 1.00 33.43 N ATOM 578 CA PRO A 34 -1.191 -7.513 0.792 1.00 44.23 C ATOM 579 C PRO A 34 -2.498 -8.146 0.235 1.00 42.15 C ATOM 580 O PRO A 34 -2.676 -8.262 -0.987 1.00 72.13 O ATOM 581 CB PRO A 34 -1.128 -5.993 0.506 1.00 12.45 C ATOM 582 CG PRO A 34 -0.460 -5.902 -0.838 1.00 43.14 C ATOM 583 CD PRO A 34 0.565 -7.028 -0.865 1.00 23.12 C ATOM 0 HA PRO A 34 -1.215 -7.760 1.853 1.00 44.23 H new ATOM 0 HB2 PRO A 34 -2.123 -5.549 0.488 1.00 12.45 H new ATOM 0 HB3 PRO A 34 -0.558 -5.466 1.271 1.00 12.45 H new ATOM 0 HG2 PRO A 34 -1.185 -6.013 -1.644 1.00 43.14 H new ATOM 0 HG3 PRO A 34 0.020 -4.932 -0.972 1.00 43.14 H new ATOM 0 HD2 PRO A 34 0.658 -7.461 -1.861 1.00 23.12 H new ATOM 0 HD3 PRO A 34 1.555 -6.674 -0.578 1.00 23.12 H new ATOM 591 N ASP A 35 -3.399 -8.553 1.146 1.00 21.51 N ATOM 592 CA ASP A 35 -4.732 -9.086 0.787 1.00 54.53 C ATOM 593 C ASP A 35 -5.615 -7.997 0.140 1.00 32.41 C ATOM 594 O ASP A 35 -5.363 -6.806 0.323 1.00 24.02 O ATOM 595 CB ASP A 35 -5.437 -9.626 2.048 1.00 42.31 C ATOM 596 CG ASP A 35 -4.577 -10.641 2.808 1.00 64.11 C ATOM 597 OD1 ASP A 35 -4.600 -11.841 2.461 1.00 2.43 O ATOM 598 OD2 ASP A 35 -3.869 -10.238 3.755 1.00 61.25 O ATOM 0 H ASP A 35 -3.228 -8.523 2.151 1.00 21.51 H new ATOM 0 HA ASP A 35 -4.588 -9.891 0.066 1.00 54.53 H new ATOM 0 HB2 ASP A 35 -5.682 -8.794 2.709 1.00 42.31 H new ATOM 0 HB3 ASP A 35 -6.379 -10.094 1.762 1.00 42.31 H new ATOM 603 N VAL A 36 -6.659 -8.421 -0.589 1.00 75.21 N ATOM 604 CA VAL A 36 -7.647 -7.494 -1.196 1.00 13.41 C ATOM 605 C VAL A 36 -8.339 -6.612 -0.119 1.00 44.03 C ATOM 606 O VAL A 36 -8.623 -5.435 -0.353 1.00 10.53 O ATOM 607 CB VAL A 36 -8.715 -8.280 -2.051 1.00 20.00 C ATOM 608 CG1 VAL A 36 -9.523 -9.293 -1.190 1.00 71.11 C ATOM 609 CG2 VAL A 36 -9.647 -7.311 -2.833 1.00 0.10 C ATOM 0 H VAL A 36 -6.848 -9.406 -0.777 1.00 75.21 H new ATOM 0 HA VAL A 36 -7.101 -6.830 -1.866 1.00 13.41 H new ATOM 0 HB VAL A 36 -8.165 -8.865 -2.788 1.00 20.00 H new ATOM 0 HG11 VAL A 36 -10.246 -9.811 -1.820 1.00 71.11 H new ATOM 0 HG12 VAL A 36 -8.841 -10.019 -0.748 1.00 71.11 H new ATOM 0 HG13 VAL A 36 -10.049 -8.759 -0.398 1.00 71.11 H new ATOM 0 HG21 VAL A 36 -10.369 -7.888 -3.410 1.00 0.10 H new ATOM 0 HG22 VAL A 36 -10.175 -6.668 -2.130 1.00 0.10 H new ATOM 0 HG23 VAL A 36 -9.050 -6.698 -3.508 1.00 0.10 H new ATOM 619 N TYR A 37 -8.561 -7.200 1.076 1.00 53.12 N ATOM 620 CA TYR A 37 -9.155 -6.499 2.236 1.00 42.13 C ATOM 621 C TYR A 37 -8.148 -5.499 2.858 1.00 13.21 C ATOM 622 O TYR A 37 -8.536 -4.429 3.338 1.00 30.51 O ATOM 623 CB TYR A 37 -9.636 -7.528 3.295 1.00 44.44 C ATOM 624 CG TYR A 37 -10.629 -6.958 4.317 1.00 44.03 C ATOM 625 CD1 TYR A 37 -11.985 -6.835 3.998 1.00 43.11 C ATOM 626 CD2 TYR A 37 -10.222 -6.530 5.584 1.00 2.34 C ATOM 627 CE1 TYR A 37 -12.890 -6.311 4.898 1.00 52.33 C ATOM 628 CE2 TYR A 37 -11.129 -6.002 6.483 1.00 40.11 C ATOM 629 CZ TYR A 37 -12.458 -5.896 6.136 1.00 52.24 C ATOM 630 OH TYR A 37 -13.360 -5.367 7.035 1.00 0.30 O ATOM 0 H TYR A 37 -8.333 -8.176 1.264 1.00 53.12 H new ATOM 0 HA TYR A 37 -10.016 -5.929 1.888 1.00 42.13 H new ATOM 0 HB2 TYR A 37 -10.102 -8.370 2.783 1.00 44.44 H new ATOM 0 HB3 TYR A 37 -8.768 -7.919 3.826 1.00 44.44 H new ATOM 0 HD1 TYR A 37 -12.331 -7.157 3.027 1.00 43.11 H new ATOM 0 HD2 TYR A 37 -9.182 -6.613 5.865 1.00 2.34 H new ATOM 0 HE1 TYR A 37 -13.933 -6.227 4.631 1.00 52.33 H new ATOM 0 HE2 TYR A 37 -10.796 -5.673 7.456 1.00 40.11 H new ATOM 0 HH TYR A 37 -12.894 -5.124 7.862 1.00 0.30 H new ATOM 640 N ALA A 38 -6.849 -5.875 2.845 1.00 31.13 N ATOM 641 CA ALA A 38 -5.739 -4.989 3.287 1.00 43.33 C ATOM 642 C ALA A 38 -5.627 -3.738 2.379 1.00 34.14 C ATOM 643 O ALA A 38 -5.392 -2.631 2.865 1.00 13.24 O ATOM 644 CB ALA A 38 -4.407 -5.765 3.300 1.00 73.13 C ATOM 0 H ALA A 38 -6.538 -6.794 2.531 1.00 31.13 H new ATOM 0 HA ALA A 38 -5.959 -4.651 4.300 1.00 43.33 H new ATOM 0 HB1 ALA A 38 -3.604 -5.104 3.625 1.00 73.13 H new ATOM 0 HB2 ALA A 38 -4.484 -6.608 3.987 1.00 73.13 H new ATOM 0 HB3 ALA A 38 -4.190 -6.133 2.297 1.00 73.13 H new ATOM 650 N ARG A 39 -5.825 -3.948 1.059 1.00 12.24 N ATOM 651 CA ARG A 39 -5.823 -2.869 0.034 1.00 0.41 C ATOM 652 C ARG A 39 -6.981 -1.874 0.271 1.00 64.44 C ATOM 653 O ARG A 39 -6.806 -0.666 0.109 1.00 72.31 O ATOM 654 CB ARG A 39 -5.946 -3.488 -1.385 1.00 31.12 C ATOM 655 CG ARG A 39 -4.803 -4.460 -1.758 1.00 51.02 C ATOM 656 CD ARG A 39 -5.091 -5.255 -3.046 1.00 75.41 C ATOM 657 NE ARG A 39 -4.100 -6.326 -3.264 1.00 42.15 N ATOM 658 CZ ARG A 39 -4.333 -7.477 -3.863 1.00 51.43 C ATOM 659 NH1 ARG A 39 -5.505 -7.767 -4.340 1.00 11.03 N ATOM 660 NH2 ARG A 39 -3.376 -8.330 -3.993 1.00 52.34 N ATOM 0 H ARG A 39 -5.992 -4.875 0.668 1.00 12.24 H new ATOM 0 HA ARG A 39 -4.882 -2.325 0.115 1.00 0.41 H new ATOM 0 HB2 ARG A 39 -6.896 -4.019 -1.456 1.00 31.12 H new ATOM 0 HB3 ARG A 39 -5.976 -2.682 -2.119 1.00 31.12 H new ATOM 0 HG2 ARG A 39 -3.879 -3.896 -1.884 1.00 51.02 H new ATOM 0 HG3 ARG A 39 -4.642 -5.156 -0.935 1.00 51.02 H new ATOM 0 HD2 ARG A 39 -6.089 -5.690 -2.989 1.00 75.41 H new ATOM 0 HD3 ARG A 39 -5.087 -4.577 -3.900 1.00 75.41 H new ATOM 0 HE ARG A 39 -3.153 -6.162 -2.922 1.00 42.15 H new ATOM 0 HH11 ARG A 39 -6.270 -7.098 -4.255 1.00 11.03 H new ATOM 0 HH12 ARG A 39 -5.661 -8.664 -4.799 1.00 11.03 H new ATOM 0 HH21 ARG A 39 -2.447 -8.112 -3.634 1.00 52.34 H new ATOM 0 HH22 ARG A 39 -3.548 -9.223 -4.455 1.00 52.34 H new ATOM 674 N GLU A 40 -8.164 -2.413 0.658 1.00 52.11 N ATOM 675 CA GLU A 40 -9.370 -1.604 0.976 1.00 5.15 C ATOM 676 C GLU A 40 -9.138 -0.675 2.192 1.00 14.13 C ATOM 677 O GLU A 40 -9.278 0.544 2.077 1.00 73.41 O ATOM 678 CB GLU A 40 -10.593 -2.526 1.244 1.00 53.45 C ATOM 679 CG GLU A 40 -11.084 -3.308 0.013 1.00 73.33 C ATOM 680 CD GLU A 40 -11.602 -2.398 -1.116 1.00 32.42 C ATOM 681 OE1 GLU A 40 -12.673 -1.771 -0.937 1.00 55.42 O ATOM 682 OE2 GLU A 40 -10.965 -2.319 -2.189 1.00 24.25 O ATOM 0 H GLU A 40 -8.310 -3.417 0.759 1.00 52.11 H new ATOM 0 HA GLU A 40 -9.574 -0.977 0.108 1.00 5.15 H new ATOM 0 HB2 GLU A 40 -10.332 -3.236 2.029 1.00 53.45 H new ATOM 0 HB3 GLU A 40 -11.414 -1.918 1.624 1.00 53.45 H new ATOM 0 HG2 GLU A 40 -10.268 -3.922 -0.369 1.00 73.33 H new ATOM 0 HG3 GLU A 40 -11.880 -3.989 0.316 1.00 73.33 H new ATOM 689 N GLN A 41 -8.766 -1.275 3.346 1.00 70.44 N ATOM 690 CA GLN A 41 -8.509 -0.535 4.615 1.00 51.04 C ATOM 691 C GLN A 41 -7.432 0.556 4.427 1.00 61.21 C ATOM 692 O GLN A 41 -7.568 1.679 4.917 1.00 4.31 O ATOM 693 CB GLN A 41 -8.056 -1.512 5.733 1.00 53.12 C ATOM 694 CG GLN A 41 -9.071 -2.620 6.078 1.00 75.34 C ATOM 695 CD GLN A 41 -8.569 -3.556 7.182 1.00 11.53 C ATOM 696 OE1 GLN A 41 -8.831 -3.344 8.362 1.00 24.55 O ATOM 697 NE2 GLN A 41 -7.829 -4.587 6.813 1.00 63.33 N ATOM 0 H GLN A 41 -8.634 -2.283 3.430 1.00 70.44 H new ATOM 0 HA GLN A 41 -9.444 -0.055 4.904 1.00 51.04 H new ATOM 0 HB2 GLN A 41 -7.119 -1.979 5.429 1.00 53.12 H new ATOM 0 HB3 GLN A 41 -7.847 -0.937 6.635 1.00 53.12 H new ATOM 0 HG2 GLN A 41 -10.009 -2.163 6.393 1.00 75.34 H new ATOM 0 HG3 GLN A 41 -9.285 -3.203 5.182 1.00 75.34 H new ATOM 0 HE21 GLN A 41 -7.626 -4.741 5.825 1.00 63.33 H new ATOM 0 HE22 GLN A 41 -7.461 -5.228 7.516 1.00 63.33 H new ATOM 706 N LEU A 42 -6.374 0.189 3.690 1.00 42.54 N ATOM 707 CA LEU A 42 -5.234 1.073 3.392 1.00 23.13 C ATOM 708 C LEU A 42 -5.639 2.249 2.468 1.00 23.31 C ATOM 709 O LEU A 42 -5.196 3.382 2.670 1.00 61.33 O ATOM 710 CB LEU A 42 -4.102 0.231 2.755 1.00 24.25 C ATOM 711 CG LEU A 42 -2.780 0.974 2.414 1.00 30.12 C ATOM 712 CD1 LEU A 42 -2.229 1.732 3.638 1.00 15.11 C ATOM 713 CD2 LEU A 42 -1.739 -0.017 1.849 1.00 12.14 C ATOM 0 H LEU A 42 -6.283 -0.740 3.279 1.00 42.54 H new ATOM 0 HA LEU A 42 -4.883 1.518 4.323 1.00 23.13 H new ATOM 0 HB2 LEU A 42 -3.865 -0.588 3.434 1.00 24.25 H new ATOM 0 HB3 LEU A 42 -4.486 -0.216 1.838 1.00 24.25 H new ATOM 0 HG LEU A 42 -2.994 1.718 1.647 1.00 30.12 H new ATOM 0 HD11 LEU A 42 -1.304 2.240 3.365 1.00 15.11 H new ATOM 0 HD12 LEU A 42 -2.962 2.466 3.971 1.00 15.11 H new ATOM 0 HD13 LEU A 42 -2.030 1.026 4.444 1.00 15.11 H new ATOM 0 HD21 LEU A 42 -0.818 0.517 1.615 1.00 12.14 H new ATOM 0 HD22 LEU A 42 -1.532 -0.789 2.590 1.00 12.14 H new ATOM 0 HD23 LEU A 42 -2.131 -0.479 0.943 1.00 12.14 H new ATOM 725 N ALA A 43 -6.494 1.963 1.466 1.00 40.13 N ATOM 726 CA ALA A 43 -7.028 2.990 0.533 1.00 15.51 C ATOM 727 C ALA A 43 -7.931 4.013 1.268 1.00 22.34 C ATOM 728 O ALA A 43 -8.000 5.179 0.887 1.00 73.53 O ATOM 729 CB ALA A 43 -7.798 2.315 -0.615 1.00 50.05 C ATOM 0 H ALA A 43 -6.836 1.021 1.277 1.00 40.13 H new ATOM 0 HA ALA A 43 -6.182 3.538 0.118 1.00 15.51 H new ATOM 0 HB1 ALA A 43 -8.184 3.077 -1.292 1.00 50.05 H new ATOM 0 HB2 ALA A 43 -7.128 1.651 -1.161 1.00 50.05 H new ATOM 0 HB3 ALA A 43 -8.628 1.738 -0.207 1.00 50.05 H new ATOM 735 N MET A 44 -8.622 3.545 2.331 1.00 24.24 N ATOM 736 CA MET A 44 -9.437 4.410 3.223 1.00 12.20 C ATOM 737 C MET A 44 -8.532 5.334 4.082 1.00 33.42 C ATOM 738 O MET A 44 -8.858 6.508 4.301 1.00 62.21 O ATOM 739 CB MET A 44 -10.331 3.539 4.148 1.00 14.24 C ATOM 740 CG MET A 44 -11.313 2.613 3.422 1.00 25.25 C ATOM 741 SD MET A 44 -12.122 1.459 4.560 1.00 4.05 S ATOM 742 CE MET A 44 -13.044 0.409 3.436 1.00 53.44 C ATOM 0 H MET A 44 -8.633 2.560 2.597 1.00 24.24 H new ATOM 0 HA MET A 44 -10.072 5.036 2.596 1.00 12.20 H new ATOM 0 HB2 MET A 44 -9.686 2.932 4.783 1.00 14.24 H new ATOM 0 HB3 MET A 44 -10.897 4.199 4.806 1.00 14.24 H new ATOM 0 HG2 MET A 44 -12.069 3.212 2.914 1.00 25.25 H new ATOM 0 HG3 MET A 44 -10.782 2.052 2.653 1.00 25.25 H new ATOM 0 HE1 MET A 44 -13.587 -0.345 4.006 1.00 53.44 H new ATOM 0 HE2 MET A 44 -13.751 1.015 2.869 1.00 53.44 H new ATOM 0 HE3 MET A 44 -12.355 -0.082 2.749 1.00 53.44 H new ATOM 752 N ARG A 45 -7.400 4.776 4.574 1.00 32.11 N ATOM 753 CA ARG A 45 -6.393 5.523 5.379 1.00 24.52 C ATOM 754 C ARG A 45 -5.710 6.633 4.551 1.00 72.52 C ATOM 755 O ARG A 45 -5.548 7.760 5.015 1.00 55.30 O ATOM 756 CB ARG A 45 -5.305 4.546 5.929 1.00 72.43 C ATOM 757 CG ARG A 45 -5.819 3.515 6.955 1.00 4.33 C ATOM 758 CD ARG A 45 -6.301 4.165 8.264 1.00 54.43 C ATOM 759 NE ARG A 45 -6.799 3.161 9.222 1.00 30.12 N ATOM 760 CZ ARG A 45 -6.761 3.260 10.532 1.00 70.12 C ATOM 761 NH1 ARG A 45 -6.221 4.282 11.115 1.00 23.12 N ATOM 762 NH2 ARG A 45 -7.260 2.316 11.251 1.00 41.50 N ATOM 0 H ARG A 45 -7.156 3.797 4.426 1.00 32.11 H new ATOM 0 HA ARG A 45 -6.923 5.990 6.209 1.00 24.52 H new ATOM 0 HB2 ARG A 45 -4.860 4.011 5.090 1.00 72.43 H new ATOM 0 HB3 ARG A 45 -4.511 5.132 6.391 1.00 72.43 H new ATOM 0 HG2 ARG A 45 -6.638 2.947 6.514 1.00 4.33 H new ATOM 0 HG3 ARG A 45 -5.023 2.805 7.179 1.00 4.33 H new ATOM 0 HD2 ARG A 45 -5.481 4.724 8.716 1.00 54.43 H new ATOM 0 HD3 ARG A 45 -7.092 4.882 8.044 1.00 54.43 H new ATOM 0 HE ARG A 45 -7.210 2.313 8.833 1.00 30.12 H new ATOM 0 HH11 ARG A 45 -5.814 5.032 10.556 1.00 23.12 H new ATOM 0 HH12 ARG A 45 -6.203 4.338 12.133 1.00 23.12 H new ATOM 0 HH21 ARG A 45 -7.680 1.501 10.803 1.00 41.50 H new ATOM 0 HH22 ARG A 45 -7.236 2.383 12.269 1.00 41.50 H new ATOM 776 N THR A 46 -5.320 6.286 3.321 1.00 1.32 N ATOM 777 CA THR A 46 -4.511 7.160 2.439 1.00 2.41 C ATOM 778 C THR A 46 -5.372 7.998 1.467 1.00 60.40 C ATOM 779 O THR A 46 -4.835 8.879 0.791 1.00 71.24 O ATOM 780 CB THR A 46 -3.501 6.304 1.606 1.00 62.21 C ATOM 781 OG1 THR A 46 -4.214 5.345 0.795 1.00 13.31 O ATOM 782 CG2 THR A 46 -2.493 5.565 2.506 1.00 65.12 C ATOM 0 H THR A 46 -5.553 5.387 2.898 1.00 1.32 H new ATOM 0 HA THR A 46 -3.981 7.850 3.096 1.00 2.41 H new ATOM 0 HB THR A 46 -2.944 6.990 0.968 1.00 62.21 H new ATOM 0 HG1 THR A 46 -4.552 4.622 1.364 1.00 13.31 H new ATOM 0 HG21 THR A 46 -1.811 4.983 1.887 1.00 65.12 H new ATOM 0 HG22 THR A 46 -1.925 6.291 3.088 1.00 65.12 H new ATOM 0 HG23 THR A 46 -3.029 4.898 3.181 1.00 65.12 H new ATOM 790 N ASP A 47 -6.697 7.707 1.397 1.00 61.32 N ATOM 791 CA ASP A 47 -7.653 8.358 0.448 1.00 12.31 C ATOM 792 C ASP A 47 -7.303 8.064 -1.042 1.00 30.44 C ATOM 793 O ASP A 47 -7.762 8.768 -1.953 1.00 43.12 O ATOM 794 CB ASP A 47 -7.763 9.891 0.710 1.00 75.03 C ATOM 795 CG ASP A 47 -8.346 10.220 2.093 1.00 31.13 C ATOM 796 OD1 ASP A 47 -7.619 10.106 3.104 1.00 4.51 O ATOM 797 OD2 ASP A 47 -9.541 10.590 2.180 1.00 42.24 O ATOM 0 H ASP A 47 -7.139 7.012 1.998 1.00 61.32 H new ATOM 0 HA ASP A 47 -8.631 7.915 0.637 1.00 12.31 H new ATOM 0 HB2 ASP A 47 -6.775 10.342 0.621 1.00 75.03 H new ATOM 0 HB3 ASP A 47 -8.389 10.342 -0.060 1.00 75.03 H new ATOM 802 N LEU A 48 -6.516 7.001 -1.281 1.00 75.34 N ATOM 803 CA LEU A 48 -6.131 6.565 -2.639 1.00 10.33 C ATOM 804 C LEU A 48 -7.124 5.508 -3.176 1.00 41.02 C ATOM 805 O LEU A 48 -8.034 5.070 -2.466 1.00 45.40 O ATOM 806 CB LEU A 48 -4.685 5.987 -2.618 1.00 53.23 C ATOM 807 CG LEU A 48 -3.572 6.941 -2.069 1.00 40.01 C ATOM 808 CD1 LEU A 48 -2.201 6.231 -2.015 1.00 21.11 C ATOM 809 CD2 LEU A 48 -3.503 8.261 -2.875 1.00 14.34 C ATOM 0 H LEU A 48 -6.128 6.418 -0.540 1.00 75.34 H new ATOM 0 HA LEU A 48 -6.160 7.428 -3.304 1.00 10.33 H new ATOM 0 HB2 LEU A 48 -4.687 5.079 -2.015 1.00 53.23 H new ATOM 0 HB3 LEU A 48 -4.417 5.695 -3.633 1.00 53.23 H new ATOM 0 HG LEU A 48 -3.842 7.206 -1.047 1.00 40.01 H new ATOM 0 HD11 LEU A 48 -1.449 6.920 -1.630 1.00 21.11 H new ATOM 0 HD12 LEU A 48 -2.267 5.362 -1.360 1.00 21.11 H new ATOM 0 HD13 LEU A 48 -1.918 5.909 -3.017 1.00 21.11 H new ATOM 0 HD21 LEU A 48 -2.719 8.897 -2.465 1.00 14.34 H new ATOM 0 HD22 LEU A 48 -3.281 8.039 -3.919 1.00 14.34 H new ATOM 0 HD23 LEU A 48 -4.461 8.777 -2.810 1.00 14.34 H new ATOM 821 N THR A 49 -6.954 5.126 -4.450 1.00 72.41 N ATOM 822 CA THR A 49 -7.711 4.011 -5.062 1.00 31.40 C ATOM 823 C THR A 49 -6.980 2.676 -4.835 1.00 44.34 C ATOM 824 O THR A 49 -5.751 2.652 -4.706 1.00 21.41 O ATOM 825 CB THR A 49 -7.911 4.224 -6.602 1.00 3.50 C ATOM 826 OG1 THR A 49 -6.630 4.335 -7.254 1.00 73.21 O ATOM 827 CG2 THR A 49 -8.764 5.476 -6.899 1.00 45.42 C ATOM 0 H THR A 49 -6.294 5.574 -5.086 1.00 72.41 H new ATOM 0 HA THR A 49 -8.689 3.986 -4.582 1.00 31.40 H new ATOM 0 HB THR A 49 -8.445 3.357 -6.991 1.00 3.50 H new ATOM 0 HG1 THR A 49 -6.763 4.466 -8.216 1.00 73.21 H new ATOM 0 HG21 THR A 49 -8.880 5.590 -7.977 1.00 45.42 H new ATOM 0 HG22 THR A 49 -9.745 5.365 -6.438 1.00 45.42 H new ATOM 0 HG23 THR A 49 -8.269 6.358 -6.492 1.00 45.42 H new ATOM 835 N GLU A 50 -7.753 1.573 -4.804 1.00 31.24 N ATOM 836 CA GLU A 50 -7.216 0.192 -4.689 1.00 12.20 C ATOM 837 C GLU A 50 -6.219 -0.111 -5.846 1.00 45.14 C ATOM 838 O GLU A 50 -5.221 -0.819 -5.658 1.00 11.43 O ATOM 839 CB GLU A 50 -8.420 -0.807 -4.663 1.00 34.04 C ATOM 840 CG GLU A 50 -8.100 -2.299 -4.365 1.00 54.51 C ATOM 841 CD GLU A 50 -7.667 -3.112 -5.600 1.00 62.21 C ATOM 842 OE1 GLU A 50 -8.492 -3.286 -6.519 1.00 4.14 O ATOM 843 OE2 GLU A 50 -6.512 -3.579 -5.661 1.00 24.30 O ATOM 0 H GLU A 50 -8.771 1.609 -4.858 1.00 31.24 H new ATOM 0 HA GLU A 50 -6.651 0.081 -3.763 1.00 12.20 H new ATOM 0 HB2 GLU A 50 -9.132 -0.458 -3.915 1.00 34.04 H new ATOM 0 HB3 GLU A 50 -8.922 -0.756 -5.629 1.00 34.04 H new ATOM 0 HG2 GLU A 50 -7.308 -2.347 -3.617 1.00 54.51 H new ATOM 0 HG3 GLU A 50 -8.981 -2.767 -3.927 1.00 54.51 H new ATOM 850 N ALA A 51 -6.506 0.465 -7.033 1.00 71.44 N ATOM 851 CA ALA A 51 -5.603 0.434 -8.204 1.00 40.32 C ATOM 852 C ALA A 51 -4.213 1.050 -7.883 1.00 62.54 C ATOM 853 O ALA A 51 -3.184 0.426 -8.136 1.00 44.42 O ATOM 854 CB ALA A 51 -6.258 1.171 -9.383 1.00 50.21 C ATOM 0 H ALA A 51 -7.376 0.968 -7.207 1.00 71.44 H new ATOM 0 HA ALA A 51 -5.438 -0.609 -8.473 1.00 40.32 H new ATOM 0 HB1 ALA A 51 -5.590 1.146 -10.244 1.00 50.21 H new ATOM 0 HB2 ALA A 51 -7.199 0.684 -9.639 1.00 50.21 H new ATOM 0 HB3 ALA A 51 -6.451 2.207 -9.103 1.00 50.21 H new ATOM 860 N ARG A 52 -4.209 2.268 -7.300 1.00 54.12 N ATOM 861 CA ARG A 52 -2.961 2.993 -6.932 1.00 71.42 C ATOM 862 C ARG A 52 -2.197 2.303 -5.769 1.00 14.02 C ATOM 863 O ARG A 52 -0.963 2.357 -5.716 1.00 41.43 O ATOM 864 CB ARG A 52 -3.278 4.482 -6.602 1.00 61.33 C ATOM 865 CG ARG A 52 -2.076 5.292 -6.059 1.00 54.13 C ATOM 866 CD ARG A 52 -2.322 6.809 -6.052 1.00 33.14 C ATOM 867 NE ARG A 52 -2.254 7.394 -7.407 1.00 51.13 N ATOM 868 CZ ARG A 52 -2.954 8.417 -7.835 1.00 15.32 C ATOM 869 NH1 ARG A 52 -3.894 8.946 -7.116 1.00 21.13 N ATOM 870 NH2 ARG A 52 -2.729 8.892 -9.010 1.00 25.24 N ATOM 0 H ARG A 52 -5.062 2.779 -7.070 1.00 54.12 H new ATOM 0 HA ARG A 52 -2.296 2.963 -7.795 1.00 71.42 H new ATOM 0 HB2 ARG A 52 -3.650 4.969 -7.504 1.00 61.33 H new ATOM 0 HB3 ARG A 52 -4.083 4.514 -5.867 1.00 61.33 H new ATOM 0 HG2 ARG A 52 -1.852 4.962 -5.045 1.00 54.13 H new ATOM 0 HG3 ARG A 52 -1.197 5.076 -6.666 1.00 54.13 H new ATOM 0 HD2 ARG A 52 -3.301 7.014 -5.619 1.00 33.14 H new ATOM 0 HD3 ARG A 52 -1.583 7.292 -5.413 1.00 33.14 H new ATOM 0 HE ARG A 52 -1.606 6.965 -8.067 1.00 51.13 H new ATOM 0 HH11 ARG A 52 -4.105 8.567 -6.193 1.00 21.13 H new ATOM 0 HH12 ARG A 52 -4.423 9.741 -7.473 1.00 21.13 H new ATOM 0 HH21 ARG A 52 -2.011 8.473 -9.601 1.00 25.24 H new ATOM 0 HH22 ARG A 52 -3.269 9.687 -9.351 1.00 25.24 H new ATOM 884 N VAL A 53 -2.943 1.651 -4.853 1.00 10.14 N ATOM 885 CA VAL A 53 -2.352 0.811 -3.781 1.00 53.44 C ATOM 886 C VAL A 53 -1.513 -0.340 -4.404 1.00 72.13 C ATOM 887 O VAL A 53 -0.359 -0.554 -4.027 1.00 32.02 O ATOM 888 CB VAL A 53 -3.477 0.241 -2.824 1.00 14.22 C ATOM 889 CG1 VAL A 53 -2.910 -0.770 -1.793 1.00 74.11 C ATOM 890 CG2 VAL A 53 -4.222 1.398 -2.101 1.00 21.15 C ATOM 0 H VAL A 53 -3.962 1.689 -4.832 1.00 10.14 H new ATOM 0 HA VAL A 53 -1.690 1.433 -3.178 1.00 53.44 H new ATOM 0 HB VAL A 53 -4.188 -0.298 -3.450 1.00 14.22 H new ATOM 0 HG11 VAL A 53 -3.718 -1.134 -1.158 1.00 74.11 H new ATOM 0 HG12 VAL A 53 -2.455 -1.609 -2.319 1.00 74.11 H new ATOM 0 HG13 VAL A 53 -2.158 -0.278 -1.176 1.00 74.11 H new ATOM 0 HG21 VAL A 53 -4.991 0.984 -1.448 1.00 21.15 H new ATOM 0 HG22 VAL A 53 -3.512 1.972 -1.506 1.00 21.15 H new ATOM 0 HG23 VAL A 53 -4.687 2.050 -2.841 1.00 21.15 H new ATOM 900 N GLN A 54 -2.101 -1.027 -5.402 1.00 14.04 N ATOM 901 CA GLN A 54 -1.421 -2.091 -6.178 1.00 52.31 C ATOM 902 C GLN A 54 -0.206 -1.561 -6.981 1.00 14.44 C ATOM 903 O GLN A 54 0.835 -2.221 -7.019 1.00 64.24 O ATOM 904 CB GLN A 54 -2.436 -2.803 -7.117 1.00 53.42 C ATOM 905 CG GLN A 54 -3.313 -3.857 -6.419 1.00 42.22 C ATOM 906 CD GLN A 54 -2.514 -5.084 -5.967 1.00 74.14 C ATOM 907 OE1 GLN A 54 -1.990 -5.140 -4.854 1.00 33.00 O ATOM 908 NE2 GLN A 54 -2.401 -6.071 -6.834 1.00 62.11 N ATOM 0 H GLN A 54 -3.064 -0.862 -5.696 1.00 14.04 H new ATOM 0 HA GLN A 54 -1.029 -2.812 -5.461 1.00 52.31 H new ATOM 0 HB2 GLN A 54 -3.083 -2.052 -7.570 1.00 53.42 H new ATOM 0 HB3 GLN A 54 -1.888 -3.283 -7.928 1.00 53.42 H new ATOM 0 HG2 GLN A 54 -3.798 -3.405 -5.554 1.00 42.22 H new ATOM 0 HG3 GLN A 54 -4.104 -4.174 -7.099 1.00 42.22 H new ATOM 0 HE21 GLN A 54 -2.845 -5.999 -7.749 1.00 62.11 H new ATOM 0 HE22 GLN A 54 -1.870 -6.906 -6.589 1.00 62.11 H new ATOM 917 N VAL A 55 -0.342 -0.373 -7.615 1.00 65.24 N ATOM 918 CA VAL A 55 0.778 0.272 -8.352 1.00 53.44 C ATOM 919 C VAL A 55 1.968 0.537 -7.408 1.00 42.33 C ATOM 920 O VAL A 55 3.121 0.255 -7.760 1.00 41.33 O ATOM 921 CB VAL A 55 0.351 1.619 -9.050 1.00 5.14 C ATOM 922 CG1 VAL A 55 1.568 2.338 -9.719 1.00 32.13 C ATOM 923 CG2 VAL A 55 -0.777 1.366 -10.079 1.00 41.53 C ATOM 0 H VAL A 55 -1.212 0.159 -7.633 1.00 65.24 H new ATOM 0 HA VAL A 55 1.075 -0.426 -9.135 1.00 53.44 H new ATOM 0 HB VAL A 55 -0.031 2.284 -8.276 1.00 5.14 H new ATOM 0 HG11 VAL A 55 1.231 3.262 -10.189 1.00 32.13 H new ATOM 0 HG12 VAL A 55 2.316 2.568 -8.961 1.00 32.13 H new ATOM 0 HG13 VAL A 55 2.006 1.685 -10.474 1.00 32.13 H new ATOM 0 HG21 VAL A 55 -1.058 2.308 -10.550 1.00 41.53 H new ATOM 0 HG22 VAL A 55 -0.425 0.670 -10.841 1.00 41.53 H new ATOM 0 HG23 VAL A 55 -1.643 0.941 -9.572 1.00 41.53 H new ATOM 933 N TRP A 56 1.661 1.050 -6.195 1.00 20.31 N ATOM 934 CA TRP A 56 2.680 1.329 -5.171 1.00 64.41 C ATOM 935 C TRP A 56 3.420 0.031 -4.780 1.00 43.13 C ATOM 936 O TRP A 56 4.633 -0.016 -4.867 1.00 63.34 O ATOM 937 CB TRP A 56 2.068 1.988 -3.905 1.00 3.24 C ATOM 938 CG TRP A 56 3.123 2.448 -2.909 1.00 63.40 C ATOM 939 CD1 TRP A 56 3.810 3.630 -2.937 1.00 52.11 C ATOM 940 CD2 TRP A 56 3.635 1.722 -1.774 1.00 0.31 C ATOM 941 NE1 TRP A 56 4.685 3.695 -1.883 1.00 44.31 N ATOM 942 CE2 TRP A 56 4.600 2.541 -1.157 1.00 52.23 C ATOM 943 CE3 TRP A 56 3.362 0.470 -1.217 1.00 73.14 C ATOM 944 CZ2 TRP A 56 5.297 2.150 -0.016 1.00 44.30 C ATOM 945 CZ3 TRP A 56 4.053 0.079 -0.089 1.00 24.31 C ATOM 946 CH2 TRP A 56 5.005 0.919 0.505 1.00 62.42 C ATOM 0 H TRP A 56 0.710 1.278 -5.906 1.00 20.31 H new ATOM 0 HA TRP A 56 3.388 2.035 -5.605 1.00 64.41 H new ATOM 0 HB2 TRP A 56 1.460 2.842 -4.204 1.00 3.24 H new ATOM 0 HB3 TRP A 56 1.401 1.277 -3.418 1.00 3.24 H new ATOM 0 HD1 TRP A 56 3.682 4.401 -3.682 1.00 52.11 H new ATOM 0 HE1 TRP A 56 5.301 4.480 -1.674 1.00 44.31 H new ATOM 0 HE3 TRP A 56 2.623 -0.180 -1.662 1.00 73.14 H new ATOM 0 HZ2 TRP A 56 6.037 2.792 0.438 1.00 44.30 H new ATOM 0 HZ3 TRP A 56 3.857 -0.891 0.344 1.00 24.31 H new ATOM 0 HH2 TRP A 56 5.520 0.587 1.394 1.00 62.42 H new ATOM 957 N PHE A 57 2.659 -1.013 -4.378 1.00 63.30 N ATOM 958 CA PHE A 57 3.228 -2.300 -3.893 1.00 50.34 C ATOM 959 C PHE A 57 4.100 -3.016 -4.945 1.00 41.10 C ATOM 960 O PHE A 57 5.192 -3.452 -4.618 1.00 71.14 O ATOM 961 CB PHE A 57 2.115 -3.258 -3.368 1.00 71.21 C ATOM 962 CG PHE A 57 1.706 -2.977 -1.927 1.00 65.51 C ATOM 963 CD1 PHE A 57 2.515 -3.399 -0.869 1.00 43.15 C ATOM 964 CD2 PHE A 57 0.537 -2.296 -1.622 1.00 55.32 C ATOM 965 CE1 PHE A 57 2.159 -3.143 0.438 1.00 2.24 C ATOM 966 CE2 PHE A 57 0.185 -2.043 -0.316 1.00 12.40 C ATOM 967 CZ PHE A 57 0.996 -2.464 0.715 1.00 25.20 C ATOM 0 H PHE A 57 1.639 -0.992 -4.379 1.00 63.30 H new ATOM 0 HA PHE A 57 3.884 -2.036 -3.063 1.00 50.34 H new ATOM 0 HB2 PHE A 57 1.239 -3.171 -4.010 1.00 71.21 H new ATOM 0 HB3 PHE A 57 2.466 -4.287 -3.444 1.00 71.21 H new ATOM 0 HD1 PHE A 57 3.431 -3.932 -1.078 1.00 43.15 H new ATOM 0 HD2 PHE A 57 -0.107 -1.959 -2.421 1.00 55.32 H new ATOM 0 HE1 PHE A 57 2.794 -3.476 1.245 1.00 2.24 H new ATOM 0 HE2 PHE A 57 -0.730 -1.513 -0.098 1.00 12.40 H new ATOM 0 HZ PHE A 57 0.719 -2.261 1.739 1.00 25.20 H new ATOM 977 N GLN A 58 3.626 -3.129 -6.194 1.00 54.34 N ATOM 978 CA GLN A 58 4.367 -3.855 -7.260 1.00 53.04 C ATOM 979 C GLN A 58 5.655 -3.096 -7.687 1.00 15.55 C ATOM 980 O GLN A 58 6.696 -3.711 -7.945 1.00 61.51 O ATOM 981 CB GLN A 58 3.440 -4.122 -8.474 1.00 53.10 C ATOM 982 CG GLN A 58 2.178 -4.963 -8.151 1.00 11.11 C ATOM 983 CD GLN A 58 2.487 -6.300 -7.456 1.00 22.43 C ATOM 984 OE1 GLN A 58 2.533 -6.385 -6.231 1.00 60.21 O ATOM 985 NE2 GLN A 58 2.731 -7.344 -8.227 1.00 22.24 N ATOM 0 H GLN A 58 2.737 -2.732 -6.500 1.00 54.34 H new ATOM 0 HA GLN A 58 4.686 -4.815 -6.853 1.00 53.04 H new ATOM 0 HB2 GLN A 58 3.126 -3.165 -8.892 1.00 53.10 H new ATOM 0 HB3 GLN A 58 4.014 -4.634 -9.247 1.00 53.10 H new ATOM 0 HG2 GLN A 58 1.515 -4.377 -7.514 1.00 11.11 H new ATOM 0 HG3 GLN A 58 1.638 -5.161 -9.077 1.00 11.11 H new ATOM 0 HE21 GLN A 58 2.687 -7.250 -9.242 1.00 22.24 H new ATOM 0 HE22 GLN A 58 2.963 -8.244 -7.808 1.00 22.24 H new ATOM 994 N ASN A 59 5.563 -1.755 -7.735 1.00 55.15 N ATOM 995 CA ASN A 59 6.718 -0.855 -7.998 1.00 24.52 C ATOM 996 C ASN A 59 7.721 -0.867 -6.805 1.00 65.22 C ATOM 997 O ASN A 59 8.943 -0.825 -6.994 1.00 51.00 O ATOM 998 CB ASN A 59 6.169 0.574 -8.271 1.00 31.41 C ATOM 999 CG ASN A 59 7.216 1.656 -8.555 1.00 51.12 C ATOM 1000 OD1 ASN A 59 8.317 1.390 -9.026 1.00 15.22 O ATOM 1001 ND2 ASN A 59 6.849 2.900 -8.302 1.00 11.45 N ATOM 0 H ASN A 59 4.685 -1.256 -7.593 1.00 55.15 H new ATOM 0 HA ASN A 59 7.271 -1.204 -8.870 1.00 24.52 H new ATOM 0 HB2 ASN A 59 5.489 0.523 -9.121 1.00 31.41 H new ATOM 0 HB3 ASN A 59 5.579 0.885 -7.409 1.00 31.41 H new ATOM 0 HD21 ASN A 59 7.488 3.670 -8.499 1.00 11.45 H new ATOM 0 HD22 ASN A 59 5.927 3.090 -7.910 1.00 11.45 H new ATOM 1008 N ARG A 60 7.168 -0.965 -5.583 1.00 14.32 N ATOM 1009 CA ARG A 60 7.938 -0.980 -4.317 1.00 22.40 C ATOM 1010 C ARG A 60 8.715 -2.308 -4.168 1.00 31.32 C ATOM 1011 O ARG A 60 9.859 -2.313 -3.740 1.00 34.25 O ATOM 1012 CB ARG A 60 6.971 -0.780 -3.112 1.00 42.41 C ATOM 1013 CG ARG A 60 7.644 -0.568 -1.744 1.00 4.14 C ATOM 1014 CD ARG A 60 8.420 0.754 -1.659 1.00 73.32 C ATOM 1015 NE ARG A 60 8.995 0.957 -0.322 1.00 24.34 N ATOM 1016 CZ ARG A 60 9.911 1.844 -0.005 1.00 34.11 C ATOM 1017 NH1 ARG A 60 10.376 2.681 -0.880 1.00 1.43 N ATOM 1018 NH2 ARG A 60 10.339 1.895 1.201 1.00 71.14 N ATOM 0 H ARG A 60 6.161 -1.037 -5.440 1.00 14.32 H new ATOM 0 HA ARG A 60 8.660 -0.164 -4.335 1.00 22.40 H new ATOM 0 HB2 ARG A 60 6.334 0.080 -3.320 1.00 42.41 H new ATOM 0 HB3 ARG A 60 6.319 -1.651 -3.045 1.00 42.41 H new ATOM 0 HG2 ARG A 60 6.883 -0.588 -0.963 1.00 4.14 H new ATOM 0 HG3 ARG A 60 8.325 -1.396 -1.547 1.00 4.14 H new ATOM 0 HD2 ARG A 60 9.217 0.758 -2.403 1.00 73.32 H new ATOM 0 HD3 ARG A 60 7.755 1.583 -1.900 1.00 73.32 H new ATOM 0 HE ARG A 60 8.652 0.355 0.427 1.00 24.34 H new ATOM 0 HH11 ARG A 60 10.031 2.660 -1.840 1.00 1.43 H new ATOM 0 HH12 ARG A 60 11.087 3.360 -0.609 1.00 1.43 H new ATOM 0 HH21 ARG A 60 9.969 1.252 1.901 1.00 71.14 H new ATOM 0 HH22 ARG A 60 11.050 2.578 1.461 1.00 71.14 H new ATOM 1032 N ARG A 61 8.054 -3.421 -4.547 1.00 32.12 N ATOM 1033 CA ARG A 61 8.630 -4.789 -4.540 1.00 43.13 C ATOM 1034 C ARG A 61 9.720 -4.945 -5.616 1.00 14.30 C ATOM 1035 O ARG A 61 10.716 -5.626 -5.390 1.00 4.24 O ATOM 1036 CB ARG A 61 7.508 -5.844 -4.765 1.00 44.00 C ATOM 1037 CG ARG A 61 6.565 -6.046 -3.558 1.00 10.12 C ATOM 1038 CD ARG A 61 5.279 -6.809 -3.930 1.00 21.14 C ATOM 1039 NE ARG A 61 5.544 -8.128 -4.535 1.00 31.24 N ATOM 1040 CZ ARG A 61 4.621 -8.998 -4.880 1.00 51.14 C ATOM 1041 NH1 ARG A 61 3.363 -8.784 -4.636 1.00 2.24 N ATOM 1042 NH2 ARG A 61 4.972 -10.092 -5.463 1.00 43.43 N ATOM 0 H ARG A 61 7.088 -3.398 -4.873 1.00 32.12 H new ATOM 0 HA ARG A 61 9.091 -4.953 -3.566 1.00 43.13 H new ATOM 0 HB2 ARG A 61 6.913 -5.544 -5.628 1.00 44.00 H new ATOM 0 HB3 ARG A 61 7.970 -6.800 -5.012 1.00 44.00 H new ATOM 0 HG2 ARG A 61 7.093 -6.592 -2.777 1.00 10.12 H new ATOM 0 HG3 ARG A 61 6.299 -5.074 -3.143 1.00 10.12 H new ATOM 0 HD2 ARG A 61 4.671 -6.942 -3.035 1.00 21.14 H new ATOM 0 HD3 ARG A 61 4.695 -6.207 -4.626 1.00 21.14 H new ATOM 0 HE ARG A 61 6.518 -8.384 -4.698 1.00 31.24 H new ATOM 0 HH11 ARG A 61 3.073 -7.926 -4.167 1.00 2.24 H new ATOM 0 HH12 ARG A 61 2.665 -9.474 -4.913 1.00 2.24 H new ATOM 0 HH21 ARG A 61 5.957 -10.276 -5.652 1.00 43.43 H new ATOM 0 HH22 ARG A 61 4.265 -10.774 -5.735 1.00 43.43 H new ATOM 1056 N ALA A 62 9.503 -4.316 -6.789 1.00 20.11 N ATOM 1057 CA ALA A 62 10.494 -4.284 -7.888 1.00 33.40 C ATOM 1058 C ALA A 62 11.817 -3.623 -7.418 1.00 75.24 C ATOM 1059 O ALA A 62 12.907 -4.169 -7.612 1.00 44.33 O ATOM 1060 CB ALA A 62 9.911 -3.543 -9.107 1.00 35.45 C ATOM 0 H ALA A 62 8.639 -3.817 -7.002 1.00 20.11 H new ATOM 0 HA ALA A 62 10.720 -5.309 -8.182 1.00 33.40 H new ATOM 0 HB1 ALA A 62 10.649 -3.526 -9.909 1.00 35.45 H new ATOM 0 HB2 ALA A 62 9.013 -4.057 -9.450 1.00 35.45 H new ATOM 0 HB3 ALA A 62 9.658 -2.521 -8.825 1.00 35.45 H new