USER MOD reduce.3.24.130724 H: found=0, std=0, add=469, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 470 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 35 LYS NZ :NH3+ -148:sc= -0.0305 (180deg=-0.479) USER MOD Set 1.2: A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 28 MET CE :methyl -171:sc= -0.118 (180deg=-0.291) USER MOD Single : A 32 SER OG : rot 180:sc=-0.00726 USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 GLN :FLIP amide:sc= -0.631 F(o=-2.6,f=-0.63) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 MET CE :methyl -157:sc= -1.27 (180deg=-3.23!) USER MOD Single : A 60 ASN : amide:sc= 0 K(o=0,f=-0.58) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 319 N VAL A 25 5.110 1.571 6.196 1.00 0.00 N ATOM 320 CA VAL A 25 4.678 0.251 5.755 1.00 0.00 C ATOM 321 C VAL A 25 5.836 -0.742 5.778 1.00 0.00 C ATOM 322 O VAL A 25 6.427 -1.045 4.742 1.00 0.00 O ATOM 323 CB VAL A 25 4.084 0.301 4.333 1.00 0.00 C ATOM 324 CG1 VAL A 25 3.469 -1.040 3.962 1.00 0.00 C ATOM 325 CG2 VAL A 25 3.056 1.417 4.224 1.00 0.00 C ATOM 0 HA VAL A 25 3.907 -0.080 6.451 1.00 0.00 H new ATOM 0 HB VAL A 25 4.890 0.510 3.629 1.00 0.00 H new ATOM 0 HG11 VAL A 25 3.055 -0.984 2.955 1.00 0.00 H new ATOM 0 HG12 VAL A 25 4.236 -1.814 3.997 1.00 0.00 H new ATOM 0 HG13 VAL A 25 2.675 -1.284 4.668 1.00 0.00 H new ATOM 0 HG21 VAL A 25 2.647 1.438 3.214 1.00 0.00 H new ATOM 0 HG22 VAL A 25 2.251 1.241 4.938 1.00 0.00 H new ATOM 0 HG23 VAL A 25 3.532 2.373 4.442 1.00 0.00 H new ATOM 335 N SER A 26 6.155 -1.242 6.967 1.00 0.00 N ATOM 336 CA SER A 26 7.244 -2.199 7.128 1.00 0.00 C ATOM 337 C SER A 26 6.900 -3.532 6.473 1.00 0.00 C ATOM 338 O SER A 26 5.814 -3.700 5.918 1.00 0.00 O ATOM 339 CB SER A 26 7.550 -2.411 8.612 1.00 0.00 C ATOM 340 OG SER A 26 7.793 -1.177 9.263 1.00 0.00 O ATOM 0 H SER A 26 5.675 -1.000 7.834 1.00 0.00 H new ATOM 0 HA SER A 26 8.127 -1.791 6.636 1.00 0.00 H new ATOM 0 HB2 SER A 26 6.713 -2.920 9.090 1.00 0.00 H new ATOM 0 HB3 SER A 26 8.420 -3.059 8.718 1.00 0.00 H new ATOM 0 HG SER A 26 7.984 -1.339 10.210 1.00 0.00 H new ATOM 346 N ALA A 27 7.832 -4.477 6.541 1.00 0.00 N ATOM 347 CA ALA A 27 7.628 -5.797 5.955 1.00 0.00 C ATOM 348 C ALA A 27 6.393 -6.473 6.539 1.00 0.00 C ATOM 349 O ALA A 27 5.671 -7.183 5.838 1.00 0.00 O ATOM 350 CB ALA A 27 8.859 -6.665 6.170 1.00 0.00 C ATOM 0 H ALA A 27 8.736 -4.353 6.996 1.00 0.00 H new ATOM 0 HA ALA A 27 7.468 -5.671 4.884 1.00 0.00 H new ATOM 0 HB1 ALA A 27 8.693 -7.647 5.728 1.00 0.00 H new ATOM 0 HB2 ALA A 27 9.722 -6.196 5.698 1.00 0.00 H new ATOM 0 HB3 ALA A 27 9.045 -6.775 7.238 1.00 0.00 H new ATOM 356 N MET A 28 6.154 -6.247 7.827 1.00 0.00 N ATOM 357 CA MET A 28 5.004 -6.834 8.504 1.00 0.00 C ATOM 358 C MET A 28 3.703 -6.230 7.985 1.00 0.00 C ATOM 359 O MET A 28 2.677 -6.907 7.913 1.00 0.00 O ATOM 360 CB MET A 28 5.112 -6.620 10.015 1.00 0.00 C ATOM 361 CG MET A 28 3.997 -7.288 10.805 1.00 0.00 C ATOM 362 SD MET A 28 4.140 -9.085 10.821 1.00 0.00 S ATOM 363 CE MET A 28 3.024 -9.501 12.159 1.00 0.00 C ATOM 0 H MET A 28 6.741 -5.662 8.422 1.00 0.00 H new ATOM 0 HA MET A 28 4.997 -7.904 8.295 1.00 0.00 H new ATOM 0 HB2 MET A 28 6.072 -7.005 10.360 1.00 0.00 H new ATOM 0 HB3 MET A 28 5.103 -5.550 10.224 1.00 0.00 H new ATOM 0 HG2 MET A 28 4.010 -6.917 11.830 1.00 0.00 H new ATOM 0 HG3 MET A 28 3.035 -7.007 10.377 1.00 0.00 H new ATOM 0 HE1 MET A 28 3.122 -10.560 12.399 1.00 0.00 H new ATOM 0 HE2 MET A 28 3.271 -8.905 13.038 1.00 0.00 H new ATOM 0 HE3 MET A 28 1.998 -9.292 11.856 1.00 0.00 H new ATOM 373 N PHE A 29 3.754 -4.953 7.624 1.00 0.00 N ATOM 374 CA PHE A 29 2.579 -4.256 7.110 1.00 0.00 C ATOM 375 C PHE A 29 2.300 -4.655 5.665 1.00 0.00 C ATOM 376 O PHE A 29 1.147 -4.818 5.267 1.00 0.00 O ATOM 377 CB PHE A 29 2.776 -2.742 7.206 1.00 0.00 C ATOM 378 CG PHE A 29 1.505 -1.961 7.038 1.00 0.00 C ATOM 379 CD1 PHE A 29 0.847 -1.937 5.819 1.00 0.00 C ATOM 380 CD2 PHE A 29 0.969 -1.249 8.100 1.00 0.00 C ATOM 381 CE1 PHE A 29 -0.322 -1.219 5.662 1.00 0.00 C ATOM 382 CE2 PHE A 29 -0.200 -0.529 7.947 1.00 0.00 C ATOM 383 CZ PHE A 29 -0.847 -0.514 6.727 1.00 0.00 C ATOM 0 H PHE A 29 4.595 -4.379 7.677 1.00 0.00 H new ATOM 0 HA PHE A 29 1.721 -4.542 7.719 1.00 0.00 H new ATOM 0 HB2 PHE A 29 3.216 -2.501 8.174 1.00 0.00 H new ATOM 0 HB3 PHE A 29 3.490 -2.427 6.445 1.00 0.00 H new ATOM 0 HD1 PHE A 29 1.253 -2.486 4.982 1.00 0.00 H new ATOM 0 HD2 PHE A 29 1.470 -1.257 9.057 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -0.826 -1.209 4.707 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -0.608 0.022 8.781 1.00 0.00 H new ATOM 0 HZ PHE A 29 -1.761 0.048 6.606 1.00 0.00 H new ATOM 393 N ILE A 30 3.364 -4.811 4.882 1.00 0.00 N ATOM 394 CA ILE A 30 3.232 -5.192 3.482 1.00 0.00 C ATOM 395 C ILE A 30 2.627 -6.585 3.349 1.00 0.00 C ATOM 396 O ILE A 30 1.735 -6.811 2.531 1.00 0.00 O ATOM 397 CB ILE A 30 4.593 -5.159 2.758 1.00 0.00 C ATOM 398 CG1 ILE A 30 5.280 -3.810 2.974 1.00 0.00 C ATOM 399 CG2 ILE A 30 4.412 -5.434 1.272 1.00 0.00 C ATOM 400 CD1 ILE A 30 6.786 -3.906 3.071 1.00 0.00 C ATOM 0 H ILE A 30 4.326 -4.679 5.195 1.00 0.00 H new ATOM 0 HA ILE A 30 2.567 -4.465 3.016 1.00 0.00 H new ATOM 0 HB ILE A 30 5.227 -5.940 3.178 1.00 0.00 H new ATOM 0 HG12 ILE A 30 5.019 -3.143 2.152 1.00 0.00 H new ATOM 0 HG13 ILE A 30 4.894 -3.357 3.887 1.00 0.00 H new ATOM 0 HG21 ILE A 30 5.382 -5.407 0.776 1.00 0.00 H new ATOM 0 HG22 ILE A 30 3.962 -6.418 1.136 1.00 0.00 H new ATOM 0 HG23 ILE A 30 3.762 -4.675 0.838 1.00 0.00 H new ATOM 0 HD11 ILE A 30 7.205 -2.911 3.224 1.00 0.00 H new ATOM 0 HD12 ILE A 30 7.056 -4.547 3.910 1.00 0.00 H new ATOM 0 HD13 ILE A 30 7.184 -4.329 2.149 1.00 0.00 H new ATOM 412 N PHE A 31 3.116 -7.518 4.161 1.00 0.00 N ATOM 413 CA PHE A 31 2.620 -8.888 4.135 1.00 0.00 C ATOM 414 C PHE A 31 1.217 -8.969 4.727 1.00 0.00 C ATOM 415 O PHE A 31 0.382 -9.749 4.269 1.00 0.00 O ATOM 416 CB PHE A 31 3.567 -9.810 4.908 1.00 0.00 C ATOM 417 CG PHE A 31 3.135 -11.249 4.915 1.00 0.00 C ATOM 418 CD1 PHE A 31 2.270 -11.720 5.888 1.00 0.00 C ATOM 419 CD2 PHE A 31 3.593 -12.128 3.948 1.00 0.00 C ATOM 420 CE1 PHE A 31 1.870 -13.043 5.898 1.00 0.00 C ATOM 421 CE2 PHE A 31 3.197 -13.452 3.951 1.00 0.00 C ATOM 422 CZ PHE A 31 2.334 -13.910 4.928 1.00 0.00 C ATOM 0 H PHE A 31 3.855 -7.349 4.844 1.00 0.00 H new ATOM 0 HA PHE A 31 2.576 -9.213 3.096 1.00 0.00 H new ATOM 0 HB2 PHE A 31 4.564 -9.741 4.472 1.00 0.00 H new ATOM 0 HB3 PHE A 31 3.644 -9.458 5.937 1.00 0.00 H new ATOM 0 HD1 PHE A 31 1.904 -11.046 6.648 1.00 0.00 H new ATOM 0 HD2 PHE A 31 4.268 -11.775 3.182 1.00 0.00 H new ATOM 0 HE1 PHE A 31 1.196 -13.398 6.663 1.00 0.00 H new ATOM 0 HE2 PHE A 31 3.561 -14.127 3.191 1.00 0.00 H new ATOM 0 HZ PHE A 31 2.023 -14.944 4.933 1.00 0.00 H new ATOM 432 N SER A 32 0.966 -8.156 5.747 1.00 0.00 N ATOM 433 CA SER A 32 -0.336 -8.131 6.405 1.00 0.00 C ATOM 434 C SER A 32 -1.376 -7.415 5.543 1.00 0.00 C ATOM 435 O SER A 32 -2.578 -7.554 5.767 1.00 0.00 O ATOM 436 CB SER A 32 -0.228 -7.447 7.768 1.00 0.00 C ATOM 437 OG SER A 32 -1.508 -7.097 8.267 1.00 0.00 O ATOM 0 H SER A 32 1.647 -7.505 6.137 1.00 0.00 H new ATOM 0 HA SER A 32 -0.660 -9.162 6.546 1.00 0.00 H new ATOM 0 HB2 SER A 32 0.271 -8.112 8.473 1.00 0.00 H new ATOM 0 HB3 SER A 32 0.389 -6.553 7.681 1.00 0.00 H new ATOM 0 HG SER A 32 -1.411 -6.663 9.140 1.00 0.00 H new ATOM 443 N GLU A 33 -0.908 -6.647 4.562 1.00 0.00 N ATOM 444 CA GLU A 33 -1.803 -5.913 3.675 1.00 0.00 C ATOM 445 C GLU A 33 -1.924 -6.606 2.322 1.00 0.00 C ATOM 446 O GLU A 33 -2.978 -6.567 1.686 1.00 0.00 O ATOM 447 CB GLU A 33 -1.299 -4.482 3.482 1.00 0.00 C ATOM 448 CG GLU A 33 -2.298 -3.573 2.784 1.00 0.00 C ATOM 449 CD GLU A 33 -1.843 -3.159 1.399 1.00 0.00 C ATOM 450 OE1 GLU A 33 -0.624 -2.962 1.209 1.00 0.00 O ATOM 451 OE2 GLU A 33 -2.704 -3.029 0.504 1.00 0.00 O ATOM 0 H GLU A 33 0.084 -6.518 4.363 1.00 0.00 H new ATOM 0 HA GLU A 33 -2.790 -5.888 4.138 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -1.053 -4.058 4.456 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -0.376 -4.506 2.903 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -3.258 -4.084 2.709 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -2.458 -2.682 3.391 1.00 0.00 H new ATOM 458 N GLU A 34 -0.839 -7.238 1.886 1.00 0.00 N ATOM 459 CA GLU A 34 -0.826 -7.939 0.606 1.00 0.00 C ATOM 460 C GLU A 34 -1.487 -9.307 0.722 1.00 0.00 C ATOM 461 O GLU A 34 -2.081 -9.805 -0.234 1.00 0.00 O ATOM 462 CB GLU A 34 0.610 -8.094 0.101 1.00 0.00 C ATOM 463 CG GLU A 34 0.713 -8.230 -1.408 1.00 0.00 C ATOM 464 CD GLU A 34 2.110 -7.943 -1.925 1.00 0.00 C ATOM 465 OE1 GLU A 34 3.028 -8.736 -1.631 1.00 0.00 O ATOM 466 OE2 GLU A 34 2.285 -6.924 -2.626 1.00 0.00 O ATOM 0 H GLU A 34 0.042 -7.279 2.399 1.00 0.00 H new ATOM 0 HA GLU A 34 -1.395 -7.344 -0.109 1.00 0.00 H new ATOM 0 HB2 GLU A 34 1.194 -7.230 0.420 1.00 0.00 H new ATOM 0 HB3 GLU A 34 1.058 -8.971 0.568 1.00 0.00 H new ATOM 0 HG2 GLU A 34 0.422 -9.239 -1.699 1.00 0.00 H new ATOM 0 HG3 GLU A 34 0.007 -7.546 -1.880 1.00 0.00 H new ATOM 473 N LYS A 35 -1.381 -9.914 1.900 1.00 0.00 N ATOM 474 CA LYS A 35 -1.969 -11.228 2.139 1.00 0.00 C ATOM 475 C LYS A 35 -3.441 -11.109 2.526 1.00 0.00 C ATOM 476 O LYS A 35 -4.225 -12.034 2.309 1.00 0.00 O ATOM 477 CB LYS A 35 -1.199 -11.963 3.238 1.00 0.00 C ATOM 478 CG LYS A 35 0.234 -12.297 2.856 1.00 0.00 C ATOM 479 CD LYS A 35 0.335 -13.670 2.209 1.00 0.00 C ATOM 480 CE LYS A 35 1.222 -13.641 0.974 1.00 0.00 C ATOM 481 NZ LYS A 35 2.180 -14.781 0.952 1.00 0.00 N ATOM 0 H LYS A 35 -0.894 -9.517 2.704 1.00 0.00 H new ATOM 0 HA LYS A 35 -1.903 -11.799 1.213 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -1.193 -11.349 4.139 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -1.725 -12.885 3.484 1.00 0.00 H new ATOM 0 HG2 LYS A 35 0.614 -11.541 2.168 1.00 0.00 H new ATOM 0 HG3 LYS A 35 0.865 -12.265 3.744 1.00 0.00 H new ATOM 0 HD2 LYS A 35 0.735 -14.384 2.929 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -0.661 -14.018 1.935 1.00 0.00 H new ATOM 0 HE2 LYS A 35 0.600 -13.672 0.079 1.00 0.00 H new ATOM 0 HE3 LYS A 35 1.774 -12.702 0.946 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 3.059 -14.486 0.481 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 2.391 -15.076 1.927 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 1.759 -15.578 0.433 1.00 0.00 H new ATOM 495 N ARG A 36 -3.811 -9.967 3.099 1.00 0.00 N ATOM 496 CA ARG A 36 -5.190 -9.732 3.516 1.00 0.00 C ATOM 497 C ARG A 36 -6.152 -9.899 2.344 1.00 0.00 C ATOM 498 O ARG A 36 -7.177 -10.572 2.459 1.00 0.00 O ATOM 499 CB ARG A 36 -5.334 -8.330 4.112 1.00 0.00 C ATOM 500 CG ARG A 36 -6.618 -8.135 4.902 1.00 0.00 C ATOM 501 CD ARG A 36 -6.845 -6.672 5.243 1.00 0.00 C ATOM 502 NE ARG A 36 -5.677 -6.070 5.880 1.00 0.00 N ATOM 503 CZ ARG A 36 -5.369 -6.228 7.165 1.00 0.00 C ATOM 504 NH1 ARG A 36 -6.142 -6.965 7.954 1.00 0.00 N ATOM 505 NH2 ARG A 36 -4.287 -5.647 7.664 1.00 0.00 N ATOM 0 H ARG A 36 -3.176 -9.191 3.285 1.00 0.00 H new ATOM 0 HA ARG A 36 -5.442 -10.471 4.277 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -4.483 -8.132 4.763 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -5.297 -7.596 3.307 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -7.463 -8.510 4.324 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -6.574 -8.721 5.820 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -7.086 -6.121 4.334 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -7.705 -6.584 5.907 1.00 0.00 H new ATOM 0 HE ARG A 36 -5.061 -5.494 5.306 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -6.977 -7.413 7.576 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -5.901 -7.083 8.938 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -3.690 -5.079 7.063 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -4.051 -5.768 8.649 1.00 0.00 H new ATOM 519 N ARG A 37 -5.816 -9.283 1.215 1.00 0.00 N ATOM 520 CA ARG A 37 -6.650 -9.364 0.022 1.00 0.00 C ATOM 521 C ARG A 37 -6.808 -10.813 -0.432 1.00 0.00 C ATOM 522 O ARG A 37 -7.845 -11.194 -0.977 1.00 0.00 O ATOM 523 CB ARG A 37 -6.048 -8.523 -1.107 1.00 0.00 C ATOM 524 CG ARG A 37 -6.982 -7.439 -1.623 1.00 0.00 C ATOM 525 CD ARG A 37 -8.199 -8.034 -2.315 1.00 0.00 C ATOM 526 NE ARG A 37 -8.410 -7.458 -3.641 1.00 0.00 N ATOM 527 CZ ARG A 37 -7.729 -7.824 -4.725 1.00 0.00 C ATOM 528 NH1 ARG A 37 -6.792 -8.761 -4.645 1.00 0.00 N ATOM 529 NH2 ARG A 37 -7.984 -7.251 -5.893 1.00 0.00 N ATOM 0 H ARG A 37 -4.972 -8.722 1.102 1.00 0.00 H new ATOM 0 HA ARG A 37 -7.636 -8.970 0.270 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -5.128 -8.059 -0.752 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -5.776 -9.180 -1.933 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -7.305 -6.811 -0.793 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -6.445 -6.796 -2.320 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -8.074 -9.113 -2.404 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -9.084 -7.865 -1.701 1.00 0.00 H new ATOM 0 HE ARG A 37 -9.120 -6.733 -3.742 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -6.590 -9.205 -3.749 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -6.274 -9.037 -5.479 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -8.702 -6.530 -5.961 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -7.462 -7.531 -6.723 1.00 0.00 H new ATOM 543 N GLN A 38 -5.774 -11.616 -0.203 1.00 0.00 N ATOM 544 CA GLN A 38 -5.798 -13.022 -0.586 1.00 0.00 C ATOM 545 C GLN A 38 -6.711 -13.822 0.337 1.00 0.00 C ATOM 546 O GLN A 38 -7.393 -14.749 -0.098 1.00 0.00 O ATOM 547 CB GLN A 38 -4.384 -13.604 -0.554 1.00 0.00 C ATOM 548 CG GLN A 38 -3.578 -13.316 -1.810 1.00 0.00 C ATOM 549 CD GLN A 38 -3.197 -14.575 -2.563 1.00 0.00 C ATOM 550 OE1 GLN A 38 -3.944 -15.053 -3.416 1.00 0.00 O ATOM 551 NE2 GLN A 38 -2.027 -15.122 -2.248 1.00 0.00 N ATOM 0 H GLN A 38 -4.909 -11.316 0.246 1.00 0.00 H new ATOM 0 HA GLN A 38 -6.189 -13.090 -1.601 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -3.854 -13.200 0.308 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -4.447 -14.683 -0.413 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -4.156 -12.666 -2.467 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -2.673 -12.772 -1.539 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -1.439 -14.692 -1.534 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -1.718 -15.972 -2.720 1.00 0.00 H new ATOM 560 N LEU A 39 -6.717 -13.457 1.615 1.00 0.00 N ATOM 561 CA LEU A 39 -7.547 -14.139 2.602 1.00 0.00 C ATOM 562 C LEU A 39 -8.974 -13.601 2.580 1.00 0.00 C ATOM 563 O LEU A 39 -9.924 -14.321 2.891 1.00 0.00 O ATOM 564 CB LEU A 39 -6.949 -13.977 4.001 1.00 0.00 C ATOM 565 CG LEU A 39 -5.820 -14.952 4.339 1.00 0.00 C ATOM 566 CD1 LEU A 39 -4.943 -14.389 5.447 1.00 0.00 C ATOM 567 CD2 LEU A 39 -6.387 -16.305 4.740 1.00 0.00 C ATOM 0 H LEU A 39 -6.156 -12.693 1.992 1.00 0.00 H new ATOM 0 HA LEU A 39 -7.575 -15.198 2.347 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -6.572 -12.959 4.103 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -7.745 -14.097 4.736 1.00 0.00 H new ATOM 0 HG LEU A 39 -5.204 -15.088 3.450 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -4.145 -15.096 5.674 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -4.508 -13.444 5.122 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -5.546 -14.223 6.340 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -5.570 -16.986 4.977 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -7.026 -16.187 5.615 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -6.972 -16.713 3.916 1.00 0.00 H new ATOM 579 N GLN A 40 -9.119 -12.332 2.213 1.00 0.00 N ATOM 580 CA GLN A 40 -10.431 -11.700 2.153 1.00 0.00 C ATOM 581 C GLN A 40 -11.330 -12.405 1.141 1.00 0.00 C ATOM 582 O GLN A 40 -12.448 -12.808 1.463 1.00 0.00 O ATOM 583 CB GLN A 40 -10.289 -10.219 1.788 1.00 0.00 C ATOM 584 CG GLN A 40 -10.755 -9.275 2.884 1.00 0.00 C ATOM 585 CD GLN A 40 -9.947 -7.992 2.931 1.00 0.00 C ATOM 586 OE1 GLN A 40 -9.738 -7.469 4.133 1.00 0.00 O flip ATOM 587 NE2 GLN A 40 -9.516 -7.479 1.898 1.00 0.00 N flip ATOM 0 H GLN A 40 -8.344 -11.722 1.953 1.00 0.00 H new ATOM 0 HA GLN A 40 -10.893 -11.781 3.137 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -9.244 -10.008 1.559 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -10.861 -10.020 0.882 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -11.806 -9.033 2.727 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -10.685 -9.780 3.847 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -9.701 -7.917 0.995 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -8.974 -6.616 1.945 1.00 0.00 H new ATOM 596 N GLU A 41 -10.834 -12.551 -0.083 1.00 0.00 N ATOM 597 CA GLU A 41 -11.592 -13.206 -1.142 1.00 0.00 C ATOM 598 C GLU A 41 -11.841 -14.674 -0.805 1.00 0.00 C ATOM 599 O GLU A 41 -12.960 -15.170 -0.940 1.00 0.00 O ATOM 600 CB GLU A 41 -10.848 -13.097 -2.474 1.00 0.00 C ATOM 601 CG GLU A 41 -10.584 -11.664 -2.907 1.00 0.00 C ATOM 602 CD GLU A 41 -10.044 -11.572 -4.320 1.00 0.00 C ATOM 603 OE1 GLU A 41 -10.226 -12.538 -5.090 1.00 0.00 O ATOM 604 OE2 GLU A 41 -9.439 -10.533 -4.658 1.00 0.00 O ATOM 0 H GLU A 41 -9.910 -12.224 -0.366 1.00 0.00 H new ATOM 0 HA GLU A 41 -12.555 -12.702 -1.229 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -9.898 -13.625 -2.394 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -11.428 -13.601 -3.247 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -11.509 -11.091 -2.837 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -9.873 -11.206 -2.220 1.00 0.00 H new ATOM 611 N GLU A 42 -10.792 -15.362 -0.368 1.00 0.00 N ATOM 612 CA GLU A 42 -10.898 -16.772 -0.013 1.00 0.00 C ATOM 613 C GLU A 42 -11.788 -16.960 1.212 1.00 0.00 C ATOM 614 O GLU A 42 -12.493 -17.962 1.331 1.00 0.00 O ATOM 615 CB GLU A 42 -9.510 -17.357 0.257 1.00 0.00 C ATOM 616 CG GLU A 42 -8.862 -17.973 -0.971 1.00 0.00 C ATOM 617 CD GLU A 42 -7.551 -18.666 -0.653 1.00 0.00 C ATOM 618 OE1 GLU A 42 -7.530 -19.501 0.275 1.00 0.00 O ATOM 619 OE2 GLU A 42 -6.544 -18.372 -1.333 1.00 0.00 O ATOM 0 H GLU A 42 -9.859 -14.966 -0.251 1.00 0.00 H new ATOM 0 HA GLU A 42 -11.351 -17.299 -0.853 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -8.862 -16.570 0.644 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -9.590 -18.116 1.035 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -9.549 -18.691 -1.418 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -8.687 -17.195 -1.714 1.00 0.00 H new ATOM 626 N ARG A 43 -11.750 -15.989 2.118 1.00 0.00 N ATOM 627 CA ARG A 43 -12.553 -16.047 3.334 1.00 0.00 C ATOM 628 C ARG A 43 -13.345 -14.756 3.526 1.00 0.00 C ATOM 629 O ARG A 43 -12.935 -13.872 4.276 1.00 0.00 O ATOM 630 CB ARG A 43 -11.658 -16.296 4.549 1.00 0.00 C ATOM 631 CG ARG A 43 -10.701 -17.463 4.372 1.00 0.00 C ATOM 632 CD ARG A 43 -11.240 -18.730 5.017 1.00 0.00 C ATOM 633 NE ARG A 43 -11.034 -19.905 4.172 1.00 0.00 N ATOM 634 CZ ARG A 43 -11.077 -21.157 4.621 1.00 0.00 C ATOM 635 NH1 ARG A 43 -11.320 -21.403 5.902 1.00 0.00 N ATOM 636 NH2 ARG A 43 -10.878 -22.168 3.785 1.00 0.00 N ATOM 0 H ARG A 43 -11.172 -15.153 2.033 1.00 0.00 H new ATOM 0 HA ARG A 43 -13.258 -16.873 3.235 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -11.083 -15.394 4.757 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -12.286 -16.481 5.420 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -10.532 -17.638 3.310 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -9.735 -17.213 4.811 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -10.750 -18.884 5.978 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -12.305 -18.610 5.218 1.00 0.00 H new ATOM 0 HE ARG A 43 -10.846 -19.757 3.180 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -11.475 -20.630 6.549 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -11.352 -22.365 6.240 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -10.692 -21.985 2.799 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -10.911 -23.128 4.129 1.00 0.00 H new ATOM 650 N PRO A 44 -14.498 -14.632 2.845 1.00 0.00 N ATOM 651 CA PRO A 44 -15.350 -13.441 2.944 1.00 0.00 C ATOM 652 C PRO A 44 -15.942 -13.262 4.340 1.00 0.00 C ATOM 653 O PRO A 44 -16.377 -12.170 4.703 1.00 0.00 O ATOM 654 CB PRO A 44 -16.462 -13.705 1.923 1.00 0.00 C ATOM 655 CG PRO A 44 -16.482 -15.185 1.753 1.00 0.00 C ATOM 656 CD PRO A 44 -15.061 -15.638 1.928 1.00 0.00 C ATOM 0 HA PRO A 44 -14.788 -12.527 2.753 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -17.423 -13.335 2.281 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -16.259 -13.201 0.978 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -17.135 -15.654 2.489 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -16.861 -15.460 0.769 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -15.007 -16.642 2.349 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -14.526 -15.662 0.979 1.00 0.00 H new ATOM 664 N GLU A 45 -15.955 -14.340 5.119 1.00 0.00 N ATOM 665 CA GLU A 45 -16.494 -14.296 6.473 1.00 0.00 C ATOM 666 C GLU A 45 -15.536 -13.576 7.415 1.00 0.00 C ATOM 667 O GLU A 45 -15.959 -12.920 8.367 1.00 0.00 O ATOM 668 CB GLU A 45 -16.759 -15.713 6.986 1.00 0.00 C ATOM 669 CG GLU A 45 -15.593 -16.666 6.775 1.00 0.00 C ATOM 670 CD GLU A 45 -15.848 -17.662 5.660 1.00 0.00 C ATOM 671 OE1 GLU A 45 -16.929 -18.287 5.659 1.00 0.00 O ATOM 672 OE2 GLU A 45 -14.966 -17.816 4.789 1.00 0.00 O ATOM 0 H GLU A 45 -15.599 -15.253 4.836 1.00 0.00 H new ATOM 0 HA GLU A 45 -17.434 -13.745 6.445 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -16.992 -15.667 8.050 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -17.640 -16.113 6.484 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -14.696 -16.091 6.545 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -15.397 -17.206 7.702 1.00 0.00 H new ATOM 679 N LEU A 46 -14.242 -13.704 7.142 1.00 0.00 N ATOM 680 CA LEU A 46 -13.221 -13.067 7.964 1.00 0.00 C ATOM 681 C LEU A 46 -13.063 -11.596 7.592 1.00 0.00 C ATOM 682 O LEU A 46 -12.851 -11.260 6.426 1.00 0.00 O ATOM 683 CB LEU A 46 -11.884 -13.793 7.804 1.00 0.00 C ATOM 684 CG LEU A 46 -11.816 -15.176 8.453 1.00 0.00 C ATOM 685 CD1 LEU A 46 -10.640 -15.966 7.903 1.00 0.00 C ATOM 686 CD2 LEU A 46 -11.715 -15.048 9.966 1.00 0.00 C ATOM 0 H LEU A 46 -13.876 -14.243 6.358 1.00 0.00 H new ATOM 0 HA LEU A 46 -13.537 -13.127 9.005 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -11.669 -13.897 6.740 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -11.097 -13.170 8.229 1.00 0.00 H new ATOM 0 HG LEU A 46 -12.732 -15.716 8.214 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -10.608 -16.947 8.376 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -10.754 -16.086 6.826 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -9.713 -15.432 8.112 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -11.668 -16.041 10.413 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -10.815 -14.490 10.225 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -12.590 -14.521 10.346 1.00 0.00 H new ATOM 698 N SER A 47 -13.167 -10.723 8.589 1.00 0.00 N ATOM 699 CA SER A 47 -13.035 -9.289 8.365 1.00 0.00 C ATOM 700 C SER A 47 -11.577 -8.854 8.461 1.00 0.00 C ATOM 701 O SER A 47 -10.701 -9.653 8.793 1.00 0.00 O ATOM 702 CB SER A 47 -13.880 -8.514 9.379 1.00 0.00 C ATOM 703 OG SER A 47 -14.546 -7.426 8.762 1.00 0.00 O ATOM 0 H SER A 47 -13.342 -10.984 9.559 1.00 0.00 H new ATOM 0 HA SER A 47 -13.394 -9.069 7.360 1.00 0.00 H new ATOM 0 HB2 SER A 47 -14.612 -9.182 9.833 1.00 0.00 H new ATOM 0 HB3 SER A 47 -13.242 -8.146 10.183 1.00 0.00 H new ATOM 0 HG SER A 47 -15.080 -6.948 9.430 1.00 0.00 H new ATOM 709 N GLU A 48 -11.323 -7.583 8.167 1.00 0.00 N ATOM 710 CA GLU A 48 -9.970 -7.041 8.221 1.00 0.00 C ATOM 711 C GLU A 48 -9.389 -7.165 9.626 1.00 0.00 C ATOM 712 O GLU A 48 -8.201 -7.437 9.796 1.00 0.00 O ATOM 713 CB GLU A 48 -9.968 -5.576 7.784 1.00 0.00 C ATOM 714 CG GLU A 48 -10.783 -5.314 6.527 1.00 0.00 C ATOM 715 CD GLU A 48 -10.350 -4.055 5.803 1.00 0.00 C ATOM 716 OE1 GLU A 48 -9.167 -3.674 5.928 1.00 0.00 O ATOM 717 OE2 GLU A 48 -11.195 -3.448 5.112 1.00 0.00 O ATOM 0 H GLU A 48 -12.036 -6.909 7.889 1.00 0.00 H new ATOM 0 HA GLU A 48 -9.347 -7.618 7.538 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -10.360 -4.963 8.595 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -8.940 -5.258 7.613 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -10.689 -6.166 5.854 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -11.837 -5.232 6.792 1.00 0.00 H new ATOM 724 N SER A 49 -10.237 -6.964 10.631 1.00 0.00 N ATOM 725 CA SER A 49 -9.808 -7.054 12.022 1.00 0.00 C ATOM 726 C SER A 49 -9.392 -8.480 12.371 1.00 0.00 C ATOM 727 O SER A 49 -8.378 -8.696 13.034 1.00 0.00 O ATOM 728 CB SER A 49 -10.930 -6.594 12.954 1.00 0.00 C ATOM 729 OG SER A 49 -10.439 -6.345 14.260 1.00 0.00 O ATOM 0 H SER A 49 -11.224 -6.738 10.508 1.00 0.00 H new ATOM 0 HA SER A 49 -8.946 -6.401 12.154 1.00 0.00 H new ATOM 0 HB2 SER A 49 -11.389 -5.689 12.556 1.00 0.00 H new ATOM 0 HB3 SER A 49 -11.709 -7.356 12.994 1.00 0.00 H new ATOM 0 HG SER A 49 -11.175 -6.051 14.836 1.00 0.00 H new ATOM 735 N GLU A 50 -10.182 -9.448 11.921 1.00 0.00 N ATOM 736 CA GLU A 50 -9.897 -10.854 12.186 1.00 0.00 C ATOM 737 C GLU A 50 -8.712 -11.334 11.352 1.00 0.00 C ATOM 738 O GLU A 50 -7.940 -12.188 11.789 1.00 0.00 O ATOM 739 CB GLU A 50 -11.127 -11.712 11.884 1.00 0.00 C ATOM 740 CG GLU A 50 -12.370 -11.282 12.646 1.00 0.00 C ATOM 741 CD GLU A 50 -12.320 -11.672 14.110 1.00 0.00 C ATOM 742 OE1 GLU A 50 -11.236 -11.553 14.720 1.00 0.00 O ATOM 743 OE2 GLU A 50 -13.364 -12.099 14.647 1.00 0.00 O ATOM 0 H GLU A 50 -11.025 -9.285 11.371 1.00 0.00 H new ATOM 0 HA GLU A 50 -9.643 -10.955 13.241 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -11.334 -11.672 10.815 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -10.904 -12.751 12.126 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -12.485 -10.201 12.565 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -13.249 -11.732 12.184 1.00 0.00 H new ATOM 750 N LEU A 51 -8.576 -10.780 10.153 1.00 0.00 N ATOM 751 CA LEU A 51 -7.487 -11.152 9.258 1.00 0.00 C ATOM 752 C LEU A 51 -6.134 -10.832 9.884 1.00 0.00 C ATOM 753 O LEU A 51 -5.143 -11.517 9.629 1.00 0.00 O ATOM 754 CB LEU A 51 -7.627 -10.424 7.919 1.00 0.00 C ATOM 755 CG LEU A 51 -8.707 -10.981 6.990 1.00 0.00 C ATOM 756 CD1 LEU A 51 -9.058 -9.968 5.911 1.00 0.00 C ATOM 757 CD2 LEU A 51 -8.249 -12.291 6.367 1.00 0.00 C ATOM 0 H LEU A 51 -9.207 -10.071 9.778 1.00 0.00 H new ATOM 0 HA LEU A 51 -7.543 -12.227 9.087 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -7.844 -9.374 8.115 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -6.669 -10.461 7.401 1.00 0.00 H new ATOM 0 HG LEU A 51 -9.603 -11.176 7.580 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -9.828 -10.382 5.260 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -9.429 -9.055 6.376 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -8.169 -9.740 5.323 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -9.029 -12.673 5.709 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -7.339 -12.121 5.791 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -8.050 -13.018 7.154 1.00 0.00 H new ATOM 769 N THR A 52 -6.098 -9.788 10.705 1.00 0.00 N ATOM 770 CA THR A 52 -4.864 -9.379 11.366 1.00 0.00 C ATOM 771 C THR A 52 -4.346 -10.482 12.284 1.00 0.00 C ATOM 772 O THR A 52 -3.142 -10.600 12.511 1.00 0.00 O ATOM 773 CB THR A 52 -5.092 -8.097 12.170 1.00 0.00 C ATOM 774 OG1 THR A 52 -5.769 -7.128 11.388 1.00 0.00 O ATOM 775 CG2 THR A 52 -3.810 -7.469 12.671 1.00 0.00 C ATOM 0 H THR A 52 -6.908 -9.210 10.929 1.00 0.00 H new ATOM 0 HA THR A 52 -4.115 -9.190 10.597 1.00 0.00 H new ATOM 0 HB THR A 52 -5.690 -8.398 13.030 1.00 0.00 H new ATOM 0 HG1 THR A 52 -5.907 -6.317 11.920 1.00 0.00 H new ATOM 0 HG21 THR A 52 -4.043 -6.564 13.233 1.00 0.00 H new ATOM 0 HG22 THR A 52 -3.288 -8.174 13.318 1.00 0.00 H new ATOM 0 HG23 THR A 52 -3.173 -7.216 11.823 1.00 0.00 H new ATOM 783 N ARG A 53 -5.264 -11.289 12.808 1.00 0.00 N ATOM 784 CA ARG A 53 -4.898 -12.383 13.701 1.00 0.00 C ATOM 785 C ARG A 53 -4.294 -13.544 12.917 1.00 0.00 C ATOM 786 O ARG A 53 -3.406 -14.241 13.406 1.00 0.00 O ATOM 787 CB ARG A 53 -6.121 -12.867 14.488 1.00 0.00 C ATOM 788 CG ARG A 53 -7.109 -11.762 14.842 1.00 0.00 C ATOM 789 CD ARG A 53 -6.411 -10.549 15.438 1.00 0.00 C ATOM 790 NE ARG A 53 -5.378 -10.926 16.401 1.00 0.00 N ATOM 791 CZ ARG A 53 -5.632 -11.284 17.658 1.00 0.00 C ATOM 792 NH1 ARG A 53 -6.880 -11.317 18.107 1.00 0.00 N ATOM 793 NH2 ARG A 53 -4.634 -11.610 18.468 1.00 0.00 N ATOM 0 H ARG A 53 -6.265 -11.206 12.630 1.00 0.00 H new ATOM 0 HA ARG A 53 -4.151 -12.009 14.402 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -6.638 -13.628 13.904 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -5.782 -13.345 15.407 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -7.656 -11.463 13.948 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -7.843 -12.144 15.552 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -5.962 -9.960 14.638 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -7.147 -9.912 15.928 1.00 0.00 H new ATOM 0 HE ARG A 53 -4.406 -10.914 16.092 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -7.651 -11.067 17.488 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -7.068 -11.592 19.071 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -3.673 -11.586 18.128 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -4.828 -11.884 19.431 1.00 0.00 H new ATOM 807 N LEU A 54 -4.783 -13.745 11.698 1.00 0.00 N ATOM 808 CA LEU A 54 -4.291 -14.821 10.844 1.00 0.00 C ATOM 809 C LEU A 54 -3.062 -14.374 10.061 1.00 0.00 C ATOM 810 O LEU A 54 -2.177 -15.177 9.765 1.00 0.00 O ATOM 811 CB LEU A 54 -5.388 -15.277 9.880 1.00 0.00 C ATOM 812 CG LEU A 54 -5.187 -16.669 9.280 1.00 0.00 C ATOM 813 CD1 LEU A 54 -5.438 -17.743 10.327 1.00 0.00 C ATOM 814 CD2 LEU A 54 -6.099 -16.868 8.079 1.00 0.00 C ATOM 0 H LEU A 54 -5.519 -13.177 11.279 1.00 0.00 H new ATOM 0 HA LEU A 54 -4.008 -15.658 11.482 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -6.343 -15.259 10.406 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -5.459 -14.555 9.067 1.00 0.00 H new ATOM 0 HG LEU A 54 -4.154 -16.754 8.944 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -5.290 -18.727 9.882 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -4.743 -17.612 11.156 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -6.461 -17.661 10.694 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -5.943 -17.864 7.665 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -7.138 -16.763 8.390 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -5.870 -16.119 7.320 1.00 0.00 H new ATOM 826 N LEU A 55 -3.015 -13.088 9.728 1.00 0.00 N ATOM 827 CA LEU A 55 -1.893 -12.534 8.979 1.00 0.00 C ATOM 828 C LEU A 55 -0.623 -12.533 9.823 1.00 0.00 C ATOM 829 O LEU A 55 0.455 -12.883 9.340 1.00 0.00 O ATOM 830 CB LEU A 55 -2.214 -11.111 8.519 1.00 0.00 C ATOM 831 CG LEU A 55 -3.294 -11.006 7.441 1.00 0.00 C ATOM 832 CD1 LEU A 55 -3.894 -9.609 7.420 1.00 0.00 C ATOM 833 CD2 LEU A 55 -2.720 -11.362 6.079 1.00 0.00 C ATOM 0 H LEU A 55 -3.740 -12.411 9.965 1.00 0.00 H new ATOM 0 HA LEU A 55 -1.726 -13.163 8.105 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -2.529 -10.528 9.385 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -1.300 -10.653 8.141 1.00 0.00 H new ATOM 0 HG LEU A 55 -4.087 -11.715 7.677 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -4.660 -9.554 6.647 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -4.341 -9.390 8.390 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -3.112 -8.880 7.208 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -3.501 -11.282 5.323 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -1.908 -10.676 5.836 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -2.338 -12.383 6.100 1.00 0.00 H new ATOM 845 N ALA A 56 -0.757 -12.139 11.085 1.00 0.00 N ATOM 846 CA ALA A 56 0.381 -12.093 11.996 1.00 0.00 C ATOM 847 C ALA A 56 1.011 -13.473 12.157 1.00 0.00 C ATOM 848 O ALA A 56 2.233 -13.606 12.203 1.00 0.00 O ATOM 849 CB ALA A 56 -0.050 -11.546 13.349 1.00 0.00 C ATOM 0 H ALA A 56 -1.642 -11.847 11.500 1.00 0.00 H new ATOM 0 HA ALA A 56 1.131 -11.428 11.569 1.00 0.00 H new ATOM 0 HB1 ALA A 56 0.809 -11.517 14.020 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -0.448 -10.539 13.224 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -0.820 -12.190 13.773 1.00 0.00 H new ATOM 855 N ARG A 57 0.167 -14.497 12.242 1.00 0.00 N ATOM 856 CA ARG A 57 0.642 -15.867 12.397 1.00 0.00 C ATOM 857 C ARG A 57 1.343 -16.346 11.131 1.00 0.00 C ATOM 858 O ARG A 57 2.284 -17.138 11.193 1.00 0.00 O ATOM 859 CB ARG A 57 -0.526 -16.797 12.731 1.00 0.00 C ATOM 860 CG ARG A 57 -0.105 -18.062 13.463 1.00 0.00 C ATOM 861 CD ARG A 57 -1.293 -18.751 14.115 1.00 0.00 C ATOM 862 NE ARG A 57 -1.688 -19.958 13.394 1.00 0.00 N ATOM 863 CZ ARG A 57 -1.056 -21.125 13.499 1.00 0.00 C ATOM 864 NH1 ARG A 57 0.000 -21.246 14.295 1.00 0.00 N ATOM 865 NH2 ARG A 57 -1.480 -22.173 12.807 1.00 0.00 N ATOM 0 H ARG A 57 -0.848 -14.404 12.206 1.00 0.00 H new ATOM 0 HA ARG A 57 1.360 -15.887 13.217 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -1.247 -16.256 13.343 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -1.035 -17.073 11.808 1.00 0.00 H new ATOM 0 HG2 ARG A 57 0.374 -18.746 12.763 1.00 0.00 H new ATOM 0 HG3 ARG A 57 0.635 -17.814 14.224 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -1.043 -19.009 15.144 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -2.135 -18.061 14.155 1.00 0.00 H new ATOM 0 HE ARG A 57 -2.496 -19.904 12.773 1.00 0.00 H new ATOM 0 HH11 ARG A 57 0.330 -20.443 14.830 1.00 0.00 H new ATOM 0 HH12 ARG A 57 0.481 -22.142 14.372 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -2.291 -22.085 12.194 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -0.996 -23.067 12.887 1.00 0.00 H new ATOM 879 N MET A 58 0.880 -15.860 9.984 1.00 0.00 N ATOM 880 CA MET A 58 1.463 -16.239 8.703 1.00 0.00 C ATOM 881 C MET A 58 2.871 -15.671 8.558 1.00 0.00 C ATOM 882 O MET A 58 3.753 -16.309 7.982 1.00 0.00 O ATOM 883 CB MET A 58 0.582 -15.749 7.552 1.00 0.00 C ATOM 884 CG MET A 58 -0.574 -16.683 7.231 1.00 0.00 C ATOM 885 SD MET A 58 -1.069 -16.606 5.499 1.00 0.00 S ATOM 886 CE MET A 58 -1.570 -14.891 5.365 1.00 0.00 C ATOM 0 H MET A 58 0.103 -15.203 9.916 1.00 0.00 H new ATOM 0 HA MET A 58 1.523 -17.327 8.667 1.00 0.00 H new ATOM 0 HB2 MET A 58 0.185 -14.765 7.803 1.00 0.00 H new ATOM 0 HB3 MET A 58 1.198 -15.626 6.661 1.00 0.00 H new ATOM 0 HG2 MET A 58 -0.289 -17.706 7.478 1.00 0.00 H new ATOM 0 HG3 MET A 58 -1.427 -16.429 7.860 1.00 0.00 H new ATOM 0 HE1 MET A 58 -2.260 -14.778 4.529 1.00 0.00 H new ATOM 0 HE2 MET A 58 -2.063 -14.583 6.287 1.00 0.00 H new ATOM 0 HE3 MET A 58 -0.692 -14.267 5.198 1.00 0.00 H new ATOM 896 N TRP A 59 3.075 -14.467 9.083 1.00 0.00 N ATOM 897 CA TRP A 59 4.377 -13.813 9.012 1.00 0.00 C ATOM 898 C TRP A 59 5.443 -14.648 9.714 1.00 0.00 C ATOM 899 O TRP A 59 6.599 -14.680 9.291 1.00 0.00 O ATOM 900 CB TRP A 59 4.306 -12.421 9.642 1.00 0.00 C ATOM 901 CG TRP A 59 5.592 -11.658 9.542 1.00 0.00 C ATOM 902 CD1 TRP A 59 6.422 -11.312 10.569 1.00 0.00 C ATOM 903 CD2 TRP A 59 6.194 -11.145 8.348 1.00 0.00 C ATOM 904 NE1 TRP A 59 7.503 -10.615 10.087 1.00 0.00 N ATOM 905 CE2 TRP A 59 7.387 -10.500 8.727 1.00 0.00 C ATOM 906 CE3 TRP A 59 5.842 -11.169 6.995 1.00 0.00 C ATOM 907 CZ2 TRP A 59 8.228 -9.885 7.801 1.00 0.00 C ATOM 908 CZ3 TRP A 59 6.677 -10.558 6.078 1.00 0.00 C ATOM 909 CH2 TRP A 59 7.858 -9.924 6.485 1.00 0.00 C ATOM 0 H TRP A 59 2.356 -13.925 9.562 1.00 0.00 H new ATOM 0 HA TRP A 59 4.651 -13.715 7.962 1.00 0.00 H new ATOM 0 HB2 TRP A 59 3.514 -11.850 9.157 1.00 0.00 H new ATOM 0 HB3 TRP A 59 4.030 -12.519 10.692 1.00 0.00 H new ATOM 0 HD1 TRP A 59 6.253 -11.551 11.609 1.00 0.00 H new ATOM 0 HE1 TRP A 59 8.268 -10.243 10.650 1.00 0.00 H new ATOM 0 HE3 TRP A 59 4.934 -11.656 6.672 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 9.139 -9.395 8.112 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 6.414 -10.570 5.030 1.00 0.00 H new ATOM 0 HH2 TRP A 59 8.489 -9.456 5.744 1.00 0.00 H new ATOM 920 N ASN A 60 5.046 -15.323 10.788 1.00 0.00 N ATOM 921 CA ASN A 60 5.968 -16.160 11.549 1.00 0.00 C ATOM 922 C ASN A 60 6.328 -17.420 10.770 1.00 0.00 C ATOM 923 O ASN A 60 7.440 -17.934 10.880 1.00 0.00 O ATOM 924 CB ASN A 60 5.351 -16.539 12.897 1.00 0.00 C ATOM 925 CG ASN A 60 5.021 -15.325 13.743 1.00 0.00 C ATOM 926 OD1 ASN A 60 5.681 -14.290 13.649 1.00 0.00 O ATOM 927 ND2 ASN A 60 3.994 -15.445 14.577 1.00 0.00 N ATOM 0 H ASN A 60 4.093 -15.307 11.151 1.00 0.00 H new ATOM 0 HA ASN A 60 6.880 -15.588 11.722 1.00 0.00 H new ATOM 0 HB2 ASN A 60 4.443 -17.118 12.728 1.00 0.00 H new ATOM 0 HB3 ASN A 60 6.042 -17.181 13.442 1.00 0.00 H new ATOM 0 HD21 ASN A 60 3.725 -14.661 15.171 1.00 0.00 H new ATOM 0 HD22 ASN A 60 3.474 -16.321 14.623 1.00 0.00 H new ATOM 934 N ASP A 61 5.377 -17.913 9.981 1.00 0.00 N ATOM 935 CA ASP A 61 5.593 -19.113 9.182 1.00 0.00 C ATOM 936 C ASP A 61 6.567 -18.842 8.038 1.00 0.00 C ATOM 937 O ASP A 61 7.243 -19.751 7.558 1.00 0.00 O ATOM 938 CB ASP A 61 4.262 -19.625 8.625 1.00 0.00 C ATOM 939 CG ASP A 61 4.115 -21.127 8.771 1.00 0.00 C ATOM 940 OD1 ASP A 61 5.103 -21.847 8.519 1.00 0.00 O ATOM 941 OD2 ASP A 61 3.011 -21.582 9.135 1.00 0.00 O ATOM 0 H ASP A 61 4.450 -17.499 9.879 1.00 0.00 H new ATOM 0 HA ASP A 61 6.027 -19.875 9.829 1.00 0.00 H new ATOM 0 HB2 ASP A 61 3.440 -19.130 9.142 1.00 0.00 H new ATOM 0 HB3 ASP A 61 4.184 -19.356 7.572 1.00 0.00 H new ATOM 946 N LEU A 62 6.634 -17.585 7.606 1.00 0.00 N ATOM 947 CA LEU A 62 7.525 -17.196 6.519 1.00 0.00 C ATOM 948 C LEU A 62 8.970 -17.576 6.833 1.00 0.00 C ATOM 949 O LEU A 62 9.292 -17.953 7.959 1.00 0.00 O ATOM 950 CB LEU A 62 7.427 -15.691 6.264 1.00 0.00 C ATOM 951 CG LEU A 62 6.183 -15.245 5.495 1.00 0.00 C ATOM 952 CD1 LEU A 62 6.166 -13.731 5.338 1.00 0.00 C ATOM 953 CD2 LEU A 62 6.126 -15.924 4.136 1.00 0.00 C ATOM 0 H LEU A 62 6.082 -16.820 7.993 1.00 0.00 H new ATOM 0 HA LEU A 62 7.215 -17.732 5.622 1.00 0.00 H new ATOM 0 HB2 LEU A 62 7.448 -15.173 7.223 1.00 0.00 H new ATOM 0 HB3 LEU A 62 8.311 -15.373 5.711 1.00 0.00 H new ATOM 0 HG LEU A 62 5.302 -15.540 6.064 1.00 0.00 H new ATOM 0 HD11 LEU A 62 5.273 -13.432 4.788 1.00 0.00 H new ATOM 0 HD12 LEU A 62 6.159 -13.263 6.322 1.00 0.00 H new ATOM 0 HD13 LEU A 62 7.053 -13.412 4.791 1.00 0.00 H new ATOM 0 HD21 LEU A 62 5.234 -15.595 3.602 1.00 0.00 H new ATOM 0 HD22 LEU A 62 7.012 -15.659 3.560 1.00 0.00 H new ATOM 0 HD23 LEU A 62 6.090 -17.005 4.271 1.00 0.00 H new ATOM 965 N SER A 63 9.835 -17.470 5.829 1.00 0.00 N ATOM 966 CA SER A 63 11.245 -17.801 5.997 1.00 0.00 C ATOM 967 C SER A 63 12.110 -16.548 5.923 1.00 0.00 C ATOM 968 O SER A 63 11.618 -15.458 5.629 1.00 0.00 O ATOM 969 CB SER A 63 11.686 -18.803 4.928 1.00 0.00 C ATOM 970 OG SER A 63 10.996 -20.034 5.065 1.00 0.00 O ATOM 0 H SER A 63 9.584 -17.158 4.891 1.00 0.00 H new ATOM 0 HA SER A 63 11.372 -18.251 6.982 1.00 0.00 H new ATOM 0 HB2 SER A 63 11.501 -18.387 3.937 1.00 0.00 H new ATOM 0 HB3 SER A 63 12.760 -18.974 5.006 1.00 0.00 H new ATOM 0 HG SER A 63 11.295 -20.656 4.369 1.00 0.00 H new ATOM 976 N GLU A 64 13.402 -16.710 6.190 1.00 0.00 N ATOM 977 CA GLU A 64 14.336 -15.591 6.153 1.00 0.00 C ATOM 978 C GLU A 64 14.501 -15.064 4.731 1.00 0.00 C ATOM 979 O GLU A 64 14.765 -13.880 4.525 1.00 0.00 O ATOM 980 CB GLU A 64 15.695 -16.017 6.712 1.00 0.00 C ATOM 981 CG GLU A 64 16.334 -17.166 5.949 1.00 0.00 C ATOM 982 CD GLU A 64 17.593 -17.680 6.619 1.00 0.00 C ATOM 983 OE1 GLU A 64 18.511 -16.870 6.860 1.00 0.00 O ATOM 984 OE2 GLU A 64 17.661 -18.895 6.902 1.00 0.00 O ATOM 0 H GLU A 64 13.826 -17.605 6.434 1.00 0.00 H new ATOM 0 HA GLU A 64 13.930 -14.791 6.772 1.00 0.00 H new ATOM 0 HB2 GLU A 64 16.370 -15.161 6.695 1.00 0.00 H new ATOM 0 HB3 GLU A 64 15.574 -16.308 7.756 1.00 0.00 H new ATOM 0 HG2 GLU A 64 15.616 -17.981 5.858 1.00 0.00 H new ATOM 0 HG3 GLU A 64 16.573 -16.838 4.937 1.00 0.00 H new ATOM 991 N LYS A 65 14.345 -15.950 3.754 1.00 0.00 N ATOM 992 CA LYS A 65 14.478 -15.573 2.351 1.00 0.00 C ATOM 993 C LYS A 65 13.174 -14.988 1.816 1.00 0.00 C ATOM 994 O LYS A 65 13.180 -13.987 1.101 1.00 0.00 O ATOM 995 CB LYS A 65 14.888 -16.785 1.512 1.00 0.00 C ATOM 996 CG LYS A 65 16.261 -17.333 1.865 1.00 0.00 C ATOM 997 CD LYS A 65 16.420 -18.774 1.407 1.00 0.00 C ATOM 998 CE LYS A 65 16.203 -19.748 2.553 1.00 0.00 C ATOM 999 NZ LYS A 65 16.578 -21.140 2.178 1.00 0.00 N ATOM 0 H LYS A 65 14.126 -16.934 3.907 1.00 0.00 H new ATOM 0 HA LYS A 65 15.253 -14.810 2.279 1.00 0.00 H new ATOM 0 HB2 LYS A 65 14.147 -17.574 1.642 1.00 0.00 H new ATOM 0 HB3 LYS A 65 14.877 -16.507 0.458 1.00 0.00 H new ATOM 0 HG2 LYS A 65 17.031 -16.716 1.401 1.00 0.00 H new ATOM 0 HG3 LYS A 65 16.411 -17.274 2.943 1.00 0.00 H new ATOM 0 HD2 LYS A 65 15.708 -18.984 0.609 1.00 0.00 H new ATOM 0 HD3 LYS A 65 17.417 -18.917 0.990 1.00 0.00 H new ATOM 0 HE2 LYS A 65 16.793 -19.433 3.414 1.00 0.00 H new ATOM 0 HE3 LYS A 65 15.157 -19.723 2.857 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 16.415 -21.773 2.987 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 15.998 -21.451 1.373 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 17.583 -21.169 1.912 1.00 0.00 H new ATOM 1013 N LYS A 66 12.059 -15.622 2.166 1.00 0.00 N ATOM 1014 CA LYS A 66 10.748 -15.165 1.720 1.00 0.00 C ATOM 1015 C LYS A 66 10.428 -13.786 2.289 1.00 0.00 C ATOM 1016 O LYS A 66 9.744 -12.984 1.652 1.00 0.00 O ATOM 1017 CB LYS A 66 9.666 -16.163 2.136 1.00 0.00 C ATOM 1018 CG LYS A 66 9.918 -17.577 1.636 1.00 0.00 C ATOM 1019 CD LYS A 66 9.307 -17.799 0.262 1.00 0.00 C ATOM 1020 CE LYS A 66 7.967 -18.511 0.355 1.00 0.00 C ATOM 1021 NZ LYS A 66 7.754 -19.445 -0.785 1.00 0.00 N ATOM 0 H LYS A 66 12.037 -16.453 2.757 1.00 0.00 H new ATOM 0 HA LYS A 66 10.769 -15.094 0.633 1.00 0.00 H new ATOM 0 HB2 LYS A 66 9.596 -16.178 3.224 1.00 0.00 H new ATOM 0 HB3 LYS A 66 8.702 -15.820 1.759 1.00 0.00 H new ATOM 0 HG2 LYS A 66 10.991 -17.763 1.592 1.00 0.00 H new ATOM 0 HG3 LYS A 66 9.499 -18.294 2.342 1.00 0.00 H new ATOM 0 HD2 LYS A 66 9.176 -16.839 -0.238 1.00 0.00 H new ATOM 0 HD3 LYS A 66 9.991 -18.387 -0.350 1.00 0.00 H new ATOM 0 HE2 LYS A 66 7.914 -19.065 1.292 1.00 0.00 H new ATOM 0 HE3 LYS A 66 7.165 -17.773 0.375 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 6.829 -19.910 -0.684 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 7.779 -18.913 -1.679 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 8.505 -20.164 -0.789 1.00 0.00 H new ATOM 1035 N LYS A 67 10.926 -13.517 3.492 1.00 0.00 N ATOM 1036 CA LYS A 67 10.691 -12.235 4.147 1.00 0.00 C ATOM 1037 C LYS A 67 11.472 -11.119 3.459 1.00 0.00 C ATOM 1038 O LYS A 67 11.059 -9.960 3.473 1.00 0.00 O ATOM 1039 CB LYS A 67 11.085 -12.317 5.623 1.00 0.00 C ATOM 1040 CG LYS A 67 9.919 -12.638 6.545 1.00 0.00 C ATOM 1041 CD LYS A 67 10.209 -13.853 7.413 1.00 0.00 C ATOM 1042 CE LYS A 67 9.466 -13.783 8.737 1.00 0.00 C ATOM 1043 NZ LYS A 67 10.339 -13.301 9.844 1.00 0.00 N ATOM 0 H LYS A 67 11.494 -14.169 4.033 1.00 0.00 H new ATOM 0 HA LYS A 67 9.628 -12.005 4.073 1.00 0.00 H new ATOM 0 HB2 LYS A 67 11.854 -13.080 5.744 1.00 0.00 H new ATOM 0 HB3 LYS A 67 11.527 -11.368 5.926 1.00 0.00 H new ATOM 0 HG2 LYS A 67 9.710 -11.778 7.181 1.00 0.00 H new ATOM 0 HG3 LYS A 67 9.024 -12.820 5.950 1.00 0.00 H new ATOM 0 HD2 LYS A 67 9.920 -14.759 6.880 1.00 0.00 H new ATOM 0 HD3 LYS A 67 11.281 -13.921 7.599 1.00 0.00 H new ATOM 0 HE2 LYS A 67 8.608 -13.118 8.636 1.00 0.00 H new ATOM 0 HE3 LYS A 67 9.076 -14.770 8.986 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 9.792 -13.269 10.728 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 11.144 -13.949 9.958 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 10.691 -12.348 9.619 1.00 0.00 H new ATOM 1057 N ALA A 68 12.604 -11.475 2.858 1.00 0.00 N ATOM 1058 CA ALA A 68 13.441 -10.503 2.167 1.00 0.00 C ATOM 1059 C ALA A 68 12.666 -9.792 1.062 1.00 0.00 C ATOM 1060 O ALA A 68 12.953 -8.641 0.732 1.00 0.00 O ATOM 1061 CB ALA A 68 14.674 -11.184 1.591 1.00 0.00 C ATOM 0 H ALA A 68 12.962 -12.430 2.836 1.00 0.00 H new ATOM 0 HA ALA A 68 13.756 -9.754 2.893 1.00 0.00 H new ATOM 0 HB1 ALA A 68 15.291 -10.446 1.077 1.00 0.00 H new ATOM 0 HB2 ALA A 68 15.249 -11.639 2.398 1.00 0.00 H new ATOM 0 HB3 ALA A 68 14.367 -11.955 0.885 1.00 0.00 H new ATOM 1067 N LYS A 69 11.684 -10.483 0.494 1.00 0.00 N ATOM 1068 CA LYS A 69 10.868 -9.916 -0.574 1.00 0.00 C ATOM 1069 C LYS A 69 10.108 -8.686 -0.088 1.00 0.00 C ATOM 1070 O LYS A 69 9.907 -7.732 -0.839 1.00 0.00 O ATOM 1071 CB LYS A 69 9.884 -10.962 -1.101 1.00 0.00 C ATOM 1072 CG LYS A 69 10.558 -12.163 -1.745 1.00 0.00 C ATOM 1073 CD LYS A 69 10.033 -12.414 -3.150 1.00 0.00 C ATOM 1074 CE LYS A 69 10.817 -13.512 -3.850 1.00 0.00 C ATOM 1075 NZ LYS A 69 10.080 -14.061 -5.022 1.00 0.00 N ATOM 0 H LYS A 69 11.433 -11.437 0.755 1.00 0.00 H new ATOM 0 HA LYS A 69 11.534 -9.612 -1.382 1.00 0.00 H new ATOM 0 HB2 LYS A 69 9.257 -11.306 -0.278 1.00 0.00 H new ATOM 0 HB3 LYS A 69 9.224 -10.492 -1.830 1.00 0.00 H new ATOM 0 HG2 LYS A 69 11.635 -12.000 -1.782 1.00 0.00 H new ATOM 0 HG3 LYS A 69 10.391 -13.047 -1.130 1.00 0.00 H new ATOM 0 HD2 LYS A 69 8.980 -12.692 -3.102 1.00 0.00 H new ATOM 0 HD3 LYS A 69 10.094 -11.494 -3.732 1.00 0.00 H new ATOM 0 HE2 LYS A 69 11.779 -13.118 -4.178 1.00 0.00 H new ATOM 0 HE3 LYS A 69 11.026 -14.316 -3.144 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 10.649 -14.807 -5.471 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 9.173 -14.460 -4.706 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 9.903 -13.300 -5.708 1.00 0.00 H new ATOM 1089 N TYR A 70 9.685 -8.716 1.172 1.00 0.00 N ATOM 1090 CA TYR A 70 8.944 -7.604 1.756 1.00 0.00 C ATOM 1091 C TYR A 70 9.879 -6.653 2.497 1.00 0.00 C ATOM 1092 O TYR A 70 9.627 -5.450 2.567 1.00 0.00 O ATOM 1093 CB TYR A 70 7.870 -8.126 2.712 1.00 0.00 C ATOM 1094 CG TYR A 70 7.054 -9.264 2.142 1.00 0.00 C ATOM 1095 CD1 TYR A 70 7.551 -10.561 2.127 1.00 0.00 C ATOM 1096 CD2 TYR A 70 5.787 -9.041 1.618 1.00 0.00 C ATOM 1097 CE1 TYR A 70 6.809 -11.604 1.607 1.00 0.00 C ATOM 1098 CE2 TYR A 70 5.038 -10.080 1.096 1.00 0.00 C ATOM 1099 CZ TYR A 70 5.554 -11.358 1.093 1.00 0.00 C ATOM 1100 OH TYR A 70 4.812 -12.395 0.574 1.00 0.00 O ATOM 0 H TYR A 70 9.843 -9.498 1.808 1.00 0.00 H new ATOM 0 HA TYR A 70 8.466 -7.055 0.945 1.00 0.00 H new ATOM 0 HB2 TYR A 70 8.347 -8.458 3.634 1.00 0.00 H new ATOM 0 HB3 TYR A 70 7.201 -7.307 2.976 1.00 0.00 H new ATOM 0 HD1 TYR A 70 8.534 -10.757 2.529 1.00 0.00 H new ATOM 0 HD2 TYR A 70 5.380 -8.040 1.618 1.00 0.00 H new ATOM 0 HE1 TYR A 70 7.210 -12.607 1.603 1.00 0.00 H new ATOM 0 HE2 TYR A 70 4.054 -9.891 0.693 1.00 0.00 H new ATOM 0 HH TYR A 70 3.951 -12.053 0.254 1.00 0.00 H new ATOM 1110 N LYS A 71 10.958 -7.198 3.047 1.00 0.00 N ATOM 1111 CA LYS A 71 11.929 -6.396 3.783 1.00 0.00 C ATOM 1112 C LYS A 71 12.578 -5.357 2.873 1.00 0.00 C ATOM 1113 O LYS A 71 12.952 -4.274 3.322 1.00 0.00 O ATOM 1114 CB LYS A 71 13.003 -7.295 4.398 1.00 0.00 C ATOM 1115 CG LYS A 71 12.504 -8.126 5.568 1.00 0.00 C ATOM 1116 CD LYS A 71 13.389 -9.339 5.807 1.00 0.00 C ATOM 1117 CE LYS A 71 13.342 -9.785 7.259 1.00 0.00 C ATOM 1118 NZ LYS A 71 14.592 -10.487 7.666 1.00 0.00 N ATOM 0 H LYS A 71 11.183 -8.192 2.997 1.00 0.00 H new ATOM 0 HA LYS A 71 11.401 -5.874 4.581 1.00 0.00 H new ATOM 0 HB2 LYS A 71 13.391 -7.962 3.628 1.00 0.00 H new ATOM 0 HB3 LYS A 71 13.836 -6.676 4.732 1.00 0.00 H new ATOM 0 HG2 LYS A 71 12.477 -7.511 6.467 1.00 0.00 H new ATOM 0 HG3 LYS A 71 11.482 -8.452 5.374 1.00 0.00 H new ATOM 0 HD2 LYS A 71 13.068 -10.158 5.163 1.00 0.00 H new ATOM 0 HD3 LYS A 71 14.416 -9.101 5.531 1.00 0.00 H new ATOM 0 HE2 LYS A 71 13.188 -8.917 7.900 1.00 0.00 H new ATOM 0 HE3 LYS A 71 12.489 -10.447 7.408 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 14.520 -10.775 8.663 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 14.726 -11.329 7.071 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 15.403 -9.847 7.548 1.00 0.00 H new ATOM 1132 N ALA A 72 12.708 -5.694 1.595 1.00 0.00 N ATOM 1133 CA ALA A 72 13.312 -4.790 0.623 1.00 0.00 C ATOM 1134 C ALA A 72 12.415 -3.584 0.365 1.00 0.00 C ATOM 1135 O ALA A 72 12.882 -2.445 0.335 1.00 0.00 O ATOM 1136 CB ALA A 72 13.598 -5.526 -0.676 1.00 0.00 C ATOM 0 H ALA A 72 12.403 -6.587 1.208 1.00 0.00 H new ATOM 0 HA ALA A 72 14.253 -4.428 1.036 1.00 0.00 H new ATOM 0 HB1 ALA A 72 14.049 -4.839 -1.392 1.00 0.00 H new ATOM 0 HB2 ALA A 72 14.284 -6.351 -0.483 1.00 0.00 H new ATOM 0 HB3 ALA A 72 12.667 -5.917 -1.085 1.00 0.00 H new ATOM 1142 N ARG A 73 11.125 -3.842 0.175 1.00 0.00 N ATOM 1143 CA ARG A 73 10.161 -2.779 -0.083 1.00 0.00 C ATOM 1144 C ARG A 73 10.033 -1.851 1.123 1.00 0.00 C ATOM 1145 O ARG A 73 9.701 -0.675 0.980 1.00 0.00 O ATOM 1146 CB ARG A 73 8.796 -3.375 -0.429 1.00 0.00 C ATOM 1147 CG ARG A 73 8.842 -4.380 -1.568 1.00 0.00 C ATOM 1148 CD ARG A 73 7.562 -5.196 -1.644 1.00 0.00 C ATOM 1149 NE ARG A 73 7.152 -5.446 -3.023 1.00 0.00 N ATOM 1150 CZ ARG A 73 7.706 -6.371 -3.804 1.00 0.00 C ATOM 1151 NH1 ARG A 73 8.689 -7.136 -3.345 1.00 0.00 N ATOM 1152 NH2 ARG A 73 7.273 -6.534 -5.047 1.00 0.00 N ATOM 0 H ARG A 73 10.723 -4.779 0.195 1.00 0.00 H new ATOM 0 HA ARG A 73 10.522 -2.195 -0.930 1.00 0.00 H new ATOM 0 HB2 ARG A 73 8.386 -3.861 0.457 1.00 0.00 H new ATOM 0 HB3 ARG A 73 8.113 -2.568 -0.695 1.00 0.00 H new ATOM 0 HG2 ARG A 73 8.997 -3.856 -2.511 1.00 0.00 H new ATOM 0 HG3 ARG A 73 9.693 -5.048 -1.431 1.00 0.00 H new ATOM 0 HD2 ARG A 73 7.708 -6.147 -1.131 1.00 0.00 H new ATOM 0 HD3 ARG A 73 6.765 -4.669 -1.119 1.00 0.00 H new ATOM 0 HE ARG A 73 6.398 -4.879 -3.410 1.00 0.00 H new ATOM 0 HH11 ARG A 73 9.024 -7.017 -2.389 1.00 0.00 H new ATOM 0 HH12 ARG A 73 9.109 -7.843 -3.948 1.00 0.00 H new ATOM 0 HH21 ARG A 73 6.516 -5.951 -5.404 1.00 0.00 H new ATOM 0 HH22 ARG A 73 7.697 -7.242 -5.646 1.00 0.00 H new ATOM 1166 N GLU A 74 10.299 -2.389 2.310 1.00 0.00 N ATOM 1167 CA GLU A 74 10.212 -1.611 3.542 1.00 0.00 C ATOM 1168 C GLU A 74 11.119 -0.383 3.482 1.00 0.00 C ATOM 1169 O GLU A 74 10.844 0.633 4.119 1.00 0.00 O ATOM 1170 CB GLU A 74 10.589 -2.482 4.742 1.00 0.00 C ATOM 1171 CG GLU A 74 10.546 -1.742 6.070 1.00 0.00 C ATOM 1172 CD GLU A 74 11.928 -1.427 6.608 1.00 0.00 C ATOM 1173 OE1 GLU A 74 12.724 -0.809 5.870 1.00 0.00 O ATOM 1174 OE2 GLU A 74 12.213 -1.797 7.766 1.00 0.00 O ATOM 0 H GLU A 74 10.577 -3.361 2.445 1.00 0.00 H new ATOM 0 HA GLU A 74 9.183 -1.270 3.655 1.00 0.00 H new ATOM 0 HB2 GLU A 74 9.911 -3.334 4.789 1.00 0.00 H new ATOM 0 HB3 GLU A 74 11.592 -2.880 4.590 1.00 0.00 H new ATOM 0 HG2 GLU A 74 9.988 -0.814 5.946 1.00 0.00 H new ATOM 0 HG3 GLU A 74 10.005 -2.344 6.800 1.00 0.00 H new ATOM 1181 N ALA A 75 12.200 -0.485 2.715 1.00 0.00 N ATOM 1182 CA ALA A 75 13.146 0.616 2.578 1.00 0.00 C ATOM 1183 C ALA A 75 12.565 1.742 1.727 1.00 0.00 C ATOM 1184 O ALA A 75 12.790 2.921 2.003 1.00 0.00 O ATOM 1185 CB ALA A 75 14.450 0.119 1.976 1.00 0.00 C ATOM 0 H ALA A 75 12.442 -1.319 2.179 1.00 0.00 H new ATOM 0 HA ALA A 75 13.344 1.015 3.573 1.00 0.00 H new ATOM 0 HB1 ALA A 75 15.147 0.952 1.879 1.00 0.00 H new ATOM 0 HB2 ALA A 75 14.883 -0.643 2.624 1.00 0.00 H new ATOM 0 HB3 ALA A 75 14.257 -0.308 0.992 1.00 0.00 H new ATOM 1191 N ALA A 76 11.820 1.372 0.690 1.00 0.00 N ATOM 1192 CA ALA A 76 11.211 2.352 -0.201 1.00 0.00 C ATOM 1193 C ALA A 76 9.898 2.880 0.368 1.00 0.00 C ATOM 1194 O ALA A 76 9.506 4.016 0.102 1.00 0.00 O ATOM 1195 CB ALA A 76 10.984 1.743 -1.577 1.00 0.00 C ATOM 0 H ALA A 76 11.624 0.401 0.447 1.00 0.00 H new ATOM 0 HA ALA A 76 11.897 3.194 -0.294 1.00 0.00 H new ATOM 0 HB1 ALA A 76 10.529 2.485 -2.233 1.00 0.00 H new ATOM 0 HB2 ALA A 76 11.939 1.425 -1.996 1.00 0.00 H new ATOM 0 HB3 ALA A 76 10.322 0.882 -1.489 1.00 0.00 H new ATOM 1201 N LEU A 77 9.219 2.046 1.151 1.00 0.00 N ATOM 1202 CA LEU A 77 7.948 2.430 1.755 1.00 0.00 C ATOM 1203 C LEU A 77 8.164 3.356 2.947 1.00 0.00 C ATOM 1204 O LEU A 77 7.406 4.303 3.155 1.00 0.00 O ATOM 1205 CB LEU A 77 7.174 1.186 2.195 1.00 0.00 C ATOM 1206 CG LEU A 77 6.372 0.498 1.091 1.00 0.00 C ATOM 1207 CD1 LEU A 77 6.325 -1.004 1.322 1.00 0.00 C ATOM 1208 CD2 LEU A 77 4.965 1.071 1.019 1.00 0.00 C ATOM 0 H LEU A 77 9.528 1.102 1.381 1.00 0.00 H new ATOM 0 HA LEU A 77 7.368 2.967 1.005 1.00 0.00 H new ATOM 0 HB2 LEU A 77 7.879 0.467 2.613 1.00 0.00 H new ATOM 0 HB3 LEU A 77 6.492 1.466 2.998 1.00 0.00 H new ATOM 0 HG LEU A 77 6.869 0.683 0.139 1.00 0.00 H new ATOM 0 HD11 LEU A 77 5.750 -1.477 0.526 1.00 0.00 H new ATOM 0 HD12 LEU A 77 7.339 -1.404 1.323 1.00 0.00 H new ATOM 0 HD13 LEU A 77 5.852 -1.210 2.282 1.00 0.00 H new ATOM 0 HD21 LEU A 77 4.408 0.570 0.228 1.00 0.00 H new ATOM 0 HD22 LEU A 77 4.460 0.916 1.972 1.00 0.00 H new ATOM 0 HD23 LEU A 77 5.017 2.139 0.805 1.00 0.00 H new ATOM 1220 N LYS A 78 9.202 3.076 3.729 1.00 0.00 N ATOM 1221 CA LYS A 78 9.517 3.885 4.902 1.00 0.00 C ATOM 1222 C LYS A 78 9.757 5.342 4.519 1.00 0.00 C ATOM 1223 O LYS A 78 9.526 6.249 5.318 1.00 0.00 O ATOM 1224 CB LYS A 78 10.747 3.324 5.618 1.00 0.00 C ATOM 1225 CG LYS A 78 10.412 2.317 6.706 1.00 0.00 C ATOM 1226 CD LYS A 78 11.650 1.910 7.491 1.00 0.00 C ATOM 1227 CE LYS A 78 11.676 2.556 8.867 1.00 0.00 C ATOM 1228 NZ LYS A 78 12.423 1.729 9.854 1.00 0.00 N ATOM 0 H LYS A 78 9.839 2.295 3.572 1.00 0.00 H new ATOM 0 HA LYS A 78 8.661 3.846 5.576 1.00 0.00 H new ATOM 0 HB2 LYS A 78 11.399 2.850 4.884 1.00 0.00 H new ATOM 0 HB3 LYS A 78 11.308 4.148 6.058 1.00 0.00 H new ATOM 0 HG2 LYS A 78 9.674 2.745 7.385 1.00 0.00 H new ATOM 0 HG3 LYS A 78 9.958 1.433 6.258 1.00 0.00 H new ATOM 0 HD2 LYS A 78 11.674 0.825 7.597 1.00 0.00 H new ATOM 0 HD3 LYS A 78 12.544 2.196 6.937 1.00 0.00 H new ATOM 0 HE2 LYS A 78 12.136 3.542 8.797 1.00 0.00 H new ATOM 0 HE3 LYS A 78 10.655 2.705 9.217 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 12.418 2.204 10.779 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 11.969 0.797 9.940 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 13.405 1.608 9.533 1.00 0.00 H new