USER MOD reduce.3.24.130724 H: found=0, std=0, add=969, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 964 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 56 MET CE :methyl -128:sc= -1.27 (180deg=-1.71) USER MOD Set 1.2: A 123 MET CE :methyl 152:sc= -3.13 (180deg=-4.28!) USER MOD Set 1.3: A 133 TYR OH : rot -150:sc= -0.488 USER MOD Set 2.1: A 33 SER OG : rot -72:sc= 1.2 USER MOD Set 2.2: A 75 HIS : no HD1:sc= -1.18 K(o=0.015,f=-0.6) USER MOD Single : A 22 GLN : amide:sc= -0.0112 K(o=-0.011,f=-1.7!) USER MOD Single : A 25 SER OG : rot 166:sc= -0.857 USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 HIS : no HE2:sc= 0.139 K(o=0.14,f=-0.56) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 GLN : amide:sc= 0 K(o=0,f=-0.63) USER MOD Single : A 37 HIS : no HD1:sc= -0.14 X(o=-0.14,f=-0.14) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 THR OG1 : rot 23:sc= -0.033 USER MOD Single : A 47 SER OG : rot 167:sc= 0.00488 USER MOD Single : A 51 MET CE :methyl 154:sc= -0.175 (180deg=-1.14) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 GLN : amide:sc= 0 X(o=0,f=-0.0008) USER MOD Single : A 59 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 62 GLN : amide:sc= -0.0177 K(o=-0.018,f=-1.4!) USER MOD Single : A 63 SER OG : rot 150:sc=-0.00892 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 HIS : no HD1:sc= -0.279 X(o=-0.28,f=-0.0041) USER MOD Single : A 73 HIS : no HE2:sc= -0.397 K(o=-0.4,f=-1.3) USER MOD Single : A 76 MET CE :methyl -140:sc= -0.061 (180deg=-0.172) USER MOD Single : A 83 GLN : amide:sc= -0.885 X(o=-0.89,f=-0.89) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 ASN : amide:sc= -1.49 K(o=-1.5,f=-4.7!) USER MOD Single : A 86 HIS : no HD1:sc= -3.03! C(o=-3!,f=-6.5!) USER MOD Single : A 87 GLN : amide:sc= -0.0368 K(o=-0.037,f=-1.9!) USER MOD Single : A 91 GLN : amide:sc= -0.187 K(o=-0.19,f=-2.5!) USER MOD Single : A 93 GLN : amide:sc= 0 K(o=0,f=-1.1!) USER MOD Single : A 94 LYS NZ :NH3+ -157:sc= 0.328 (180deg=0.115!) USER MOD Single : A 95 ASN : amide:sc= -1.65! K(o=-1.6!,f=-0.81) USER MOD Single : A 96 GLN : amide:sc= 0 X(o=0,f=-0.3) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 GLN : amide:sc= -0.0267 K(o=-0.027,f=-1.7) USER MOD Single : A 102 TYR OH : rot 15:sc= -3.41! USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 THR OG1 : rot 180:sc= 0.00118 USER MOD Single : A 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 GLN : amide:sc= -0.247 K(o=-0.25,f=-2.4!) USER MOD Single : A 135 SER OG : rot 180:sc= 0 USER MOD Single : A 136 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.241) USER MOD Single : A 138 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 139 SER OG : rot 74:sc= 0.637 USER MOD Single : A 142 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 308 N LEU A 21 132.092 15.096 2.185 1.00 1.00 N ATOM 309 CA LEU A 21 130.642 15.127 2.345 1.00 1.00 C ATOM 310 C LEU A 21 130.221 14.121 3.407 1.00 1.00 C ATOM 311 O LEU A 21 130.725 13.002 3.466 1.00 1.00 O ATOM 312 CB LEU A 21 129.961 14.793 1.014 1.00 1.00 C ATOM 313 CG LEU A 21 128.449 15.082 1.108 1.00 1.00 C ATOM 314 CD1 LEU A 21 128.184 16.575 0.868 1.00 1.00 C ATOM 315 CD2 LEU A 21 127.672 14.278 0.055 1.00 1.00 C ATOM 0 HA LEU A 21 130.339 16.127 2.657 1.00 1.00 H new ATOM 0 HB2 LEU A 21 130.403 15.383 0.212 1.00 1.00 H new ATOM 0 HB3 LEU A 21 130.124 13.744 0.765 1.00 1.00 H new ATOM 0 HG LEU A 21 128.116 14.793 2.105 1.00 1.00 H new ATOM 0 HD11 LEU A 21 127.114 16.770 0.936 1.00 1.00 H new ATOM 0 HD12 LEU A 21 128.709 17.163 1.621 1.00 1.00 H new ATOM 0 HD13 LEU A 21 128.541 16.853 -0.124 1.00 1.00 H new ATOM 0 HD21 LEU A 21 126.608 14.499 0.141 1.00 1.00 H new ATOM 0 HD22 LEU A 21 128.020 14.551 -0.941 1.00 1.00 H new ATOM 0 HD23 LEU A 21 127.836 13.213 0.217 1.00 1.00 H new ATOM 327 N GLN A 22 129.284 14.550 4.237 1.00 1.00 N ATOM 328 CA GLN A 22 128.775 13.701 5.303 1.00 1.00 C ATOM 329 C GLN A 22 127.408 13.140 4.920 1.00 1.00 C ATOM 330 O GLN A 22 126.410 13.862 4.920 1.00 1.00 O ATOM 331 CB GLN A 22 128.649 14.521 6.584 1.00 1.00 C ATOM 332 CG GLN A 22 129.999 15.160 6.909 1.00 1.00 C ATOM 333 CD GLN A 22 129.945 15.822 8.283 1.00 1.00 C ATOM 334 OE1 GLN A 22 128.954 15.681 9.000 1.00 1.00 O ATOM 335 NE2 GLN A 22 130.952 16.544 8.693 1.00 1.00 N ATOM 0 H GLN A 22 128.861 15.477 4.194 1.00 1.00 H new ATOM 0 HA GLN A 22 129.466 12.873 5.462 1.00 1.00 H new ATOM 0 HB2 GLN A 22 127.888 15.292 6.462 1.00 1.00 H new ATOM 0 HB3 GLN A 22 128.328 13.883 7.408 1.00 1.00 H new ATOM 0 HG2 GLN A 22 130.783 14.403 6.891 1.00 1.00 H new ATOM 0 HG3 GLN A 22 130.253 15.899 6.150 1.00 1.00 H new ATOM 0 HE21 GLN A 22 131.772 16.660 8.098 1.00 1.00 H new ATOM 0 HE22 GLN A 22 130.919 16.992 9.609 1.00 1.00 H new ATOM 344 N TRP A 23 127.360 11.848 4.610 1.00 1.00 N ATOM 345 CA TRP A 23 126.091 11.224 4.250 1.00 1.00 C ATOM 346 C TRP A 23 125.286 10.935 5.516 1.00 1.00 C ATOM 347 O TRP A 23 125.819 10.474 6.525 1.00 1.00 O ATOM 348 CB TRP A 23 126.341 9.920 3.483 1.00 1.00 C ATOM 349 CG TRP A 23 127.363 10.157 2.415 1.00 1.00 C ATOM 350 CD1 TRP A 23 127.245 11.067 1.421 1.00 1.00 C ATOM 351 CD2 TRP A 23 128.648 9.496 2.213 1.00 1.00 C ATOM 352 NE1 TRP A 23 128.379 11.011 0.628 1.00 1.00 N ATOM 353 CE2 TRP A 23 129.269 10.060 1.073 1.00 1.00 C ATOM 354 CE3 TRP A 23 129.333 8.475 2.899 1.00 1.00 C ATOM 355 CZ2 TRP A 23 130.517 9.631 0.628 1.00 1.00 C ATOM 356 CZ3 TRP A 23 130.594 8.038 2.452 1.00 1.00 C ATOM 357 CH2 TRP A 23 131.185 8.616 1.319 1.00 1.00 C ATOM 0 H TRP A 23 128.167 11.224 4.600 1.00 1.00 H new ATOM 0 HA TRP A 23 125.529 11.904 3.611 1.00 1.00 H new ATOM 0 HB2 TRP A 23 126.687 9.144 4.166 1.00 1.00 H new ATOM 0 HB3 TRP A 23 125.412 9.563 3.039 1.00 1.00 H new ATOM 0 HD1 TRP A 23 126.405 11.728 1.271 1.00 1.00 H new ATOM 0 HE1 TRP A 23 128.536 11.603 -0.188 1.00 1.00 H new ATOM 0 HE3 TRP A 23 128.888 8.024 3.774 1.00 1.00 H new ATOM 0 HZ2 TRP A 23 130.966 10.080 -0.246 1.00 1.00 H new ATOM 0 HZ3 TRP A 23 131.110 7.253 2.985 1.00 1.00 H new ATOM 0 HH2 TRP A 23 132.154 8.278 0.981 1.00 1.00 H new ATOM 368 N GLU A 24 123.985 11.196 5.425 1.00 1.00 N ATOM 369 CA GLU A 24 123.061 10.954 6.529 1.00 1.00 C ATOM 370 C GLU A 24 121.997 9.968 6.073 1.00 1.00 C ATOM 371 O GLU A 24 121.749 9.831 4.876 1.00 1.00 O ATOM 372 CB GLU A 24 122.396 12.267 6.943 1.00 1.00 C ATOM 373 CG GLU A 24 123.434 13.183 7.596 1.00 1.00 C ATOM 374 CD GLU A 24 122.810 14.534 7.927 1.00 1.00 C ATOM 375 OE1 GLU A 24 121.644 14.721 7.618 1.00 1.00 O ATOM 376 OE2 GLU A 24 123.509 15.364 8.483 1.00 1.00 O ATOM 0 H GLU A 24 123.543 11.579 4.589 1.00 1.00 H new ATOM 0 HA GLU A 24 123.605 10.546 7.381 1.00 1.00 H new ATOM 0 HB2 GLU A 24 121.960 12.757 6.072 1.00 1.00 H new ATOM 0 HB3 GLU A 24 121.581 12.070 7.639 1.00 1.00 H new ATOM 0 HG2 GLU A 24 123.818 12.719 8.505 1.00 1.00 H new ATOM 0 HG3 GLU A 24 124.282 13.320 6.925 1.00 1.00 H new ATOM 383 N SER A 25 121.351 9.293 7.021 1.00 1.00 N ATOM 384 CA SER A 25 120.316 8.355 6.652 1.00 1.00 C ATOM 385 C SER A 25 119.081 9.139 6.268 1.00 1.00 C ATOM 386 O SER A 25 118.936 10.303 6.640 1.00 1.00 O ATOM 387 CB SER A 25 119.978 7.414 7.805 1.00 1.00 C ATOM 388 OG SER A 25 118.978 8.015 8.611 1.00 1.00 O ATOM 0 H SER A 25 121.525 9.380 8.022 1.00 1.00 H new ATOM 0 HA SER A 25 120.670 7.748 5.819 1.00 1.00 H new ATOM 0 HB2 SER A 25 119.627 6.457 7.420 1.00 1.00 H new ATOM 0 HB3 SER A 25 120.869 7.211 8.399 1.00 1.00 H new ATOM 0 HG SER A 25 118.595 7.343 9.212 1.00 1.00 H new ATOM 394 N TYR A 26 118.193 8.505 5.542 1.00 1.00 N ATOM 395 CA TYR A 26 116.975 9.161 5.137 1.00 1.00 C ATOM 396 C TYR A 26 116.179 9.550 6.370 1.00 1.00 C ATOM 397 O TYR A 26 115.618 10.644 6.457 1.00 1.00 O ATOM 398 CB TYR A 26 116.155 8.216 4.272 1.00 1.00 C ATOM 399 CG TYR A 26 114.811 8.828 3.998 1.00 1.00 C ATOM 400 CD1 TYR A 26 114.643 9.710 2.924 1.00 1.00 C ATOM 401 CD2 TYR A 26 113.728 8.502 4.817 1.00 1.00 C ATOM 402 CE1 TYR A 26 113.387 10.267 2.670 1.00 1.00 C ATOM 403 CE2 TYR A 26 112.469 9.055 4.558 1.00 1.00 C ATOM 404 CZ TYR A 26 112.299 9.939 3.486 1.00 1.00 C ATOM 405 OH TYR A 26 111.058 10.484 3.233 1.00 1.00 O ATOM 0 H TYR A 26 118.290 7.542 5.221 1.00 1.00 H new ATOM 0 HA TYR A 26 117.214 10.057 4.564 1.00 1.00 H new ATOM 0 HB2 TYR A 26 116.675 8.020 3.334 1.00 1.00 H new ATOM 0 HB3 TYR A 26 116.034 7.257 4.776 1.00 1.00 H new ATOM 0 HD1 TYR A 26 115.483 9.960 2.293 1.00 1.00 H new ATOM 0 HD2 TYR A 26 113.862 7.825 5.648 1.00 1.00 H new ATOM 0 HE1 TYR A 26 113.256 10.950 1.844 1.00 1.00 H new ATOM 0 HE2 TYR A 26 111.628 8.800 5.186 1.00 1.00 H new ATOM 0 HH TYR A 26 110.414 10.151 3.892 1.00 1.00 H new ATOM 415 N ALA A 27 116.144 8.621 7.319 1.00 1.00 N ATOM 416 CA ALA A 27 115.420 8.826 8.560 1.00 1.00 C ATOM 417 C ALA A 27 116.081 9.905 9.377 1.00 1.00 C ATOM 418 O ALA A 27 115.409 10.716 10.010 1.00 1.00 O ATOM 419 CB ALA A 27 115.370 7.527 9.365 1.00 1.00 C ATOM 0 H ALA A 27 116.611 7.717 7.248 1.00 1.00 H new ATOM 0 HA ALA A 27 114.403 9.135 8.320 1.00 1.00 H new ATOM 0 HB1 ALA A 27 114.824 7.695 10.293 1.00 1.00 H new ATOM 0 HB2 ALA A 27 114.865 6.757 8.782 1.00 1.00 H new ATOM 0 HB3 ALA A 27 116.385 7.202 9.595 1.00 1.00 H new ATOM 425 N GLU A 28 117.396 9.893 9.364 1.00 1.00 N ATOM 426 CA GLU A 28 118.172 10.852 10.116 1.00 1.00 C ATOM 427 C GLU A 28 117.992 12.251 9.556 1.00 1.00 C ATOM 428 O GLU A 28 117.925 13.225 10.305 1.00 1.00 O ATOM 429 CB GLU A 28 119.640 10.450 10.067 1.00 1.00 C ATOM 430 CG GLU A 28 119.874 9.270 11.016 1.00 1.00 C ATOM 431 CD GLU A 28 121.289 8.725 10.840 1.00 1.00 C ATOM 432 OE1 GLU A 28 122.037 9.310 10.075 1.00 1.00 O ATOM 433 OE2 GLU A 28 121.603 7.730 11.474 1.00 1.00 O ATOM 0 H GLU A 28 117.954 9.222 8.835 1.00 1.00 H new ATOM 0 HA GLU A 28 117.826 10.859 11.150 1.00 1.00 H new ATOM 0 HB2 GLU A 28 119.920 10.175 9.050 1.00 1.00 H new ATOM 0 HB3 GLU A 28 120.269 11.292 10.354 1.00 1.00 H new ATOM 0 HG2 GLU A 28 119.725 9.588 12.048 1.00 1.00 H new ATOM 0 HG3 GLU A 28 119.146 8.484 10.817 1.00 1.00 H new ATOM 440 N ALA A 29 117.917 12.346 8.240 1.00 1.00 N ATOM 441 CA ALA A 29 117.747 13.626 7.577 1.00 1.00 C ATOM 442 C ALA A 29 116.475 14.334 7.993 1.00 1.00 C ATOM 443 O ALA A 29 116.469 15.542 8.232 1.00 1.00 O ATOM 444 CB ALA A 29 117.626 13.395 6.082 1.00 1.00 C ATOM 0 H ALA A 29 117.972 11.548 7.607 1.00 1.00 H new ATOM 0 HA ALA A 29 118.609 14.234 7.849 1.00 1.00 H new ATOM 0 HB1 ALA A 29 117.498 14.351 5.575 1.00 1.00 H new ATOM 0 HB2 ALA A 29 118.529 12.908 5.715 1.00 1.00 H new ATOM 0 HB3 ALA A 29 116.764 12.759 5.881 1.00 1.00 H new ATOM 450 N LEU A 30 115.391 13.588 8.018 1.00 1.00 N ATOM 451 CA LEU A 30 114.106 14.165 8.337 1.00 1.00 C ATOM 452 C LEU A 30 114.055 14.694 9.753 1.00 1.00 C ATOM 453 O LEU A 30 113.514 15.760 9.994 1.00 1.00 O ATOM 454 CB LEU A 30 113.014 13.124 8.134 1.00 1.00 C ATOM 455 CG LEU A 30 112.923 12.781 6.652 1.00 1.00 C ATOM 456 CD1 LEU A 30 112.345 11.383 6.509 1.00 1.00 C ATOM 457 CD2 LEU A 30 111.994 13.767 5.932 1.00 1.00 C ATOM 0 H LEU A 30 115.375 12.587 7.822 1.00 1.00 H new ATOM 0 HA LEU A 30 113.946 15.010 7.667 1.00 1.00 H new ATOM 0 HB2 LEU A 30 113.235 12.228 8.715 1.00 1.00 H new ATOM 0 HB3 LEU A 30 112.058 13.507 8.491 1.00 1.00 H new ATOM 0 HG LEU A 30 113.919 12.837 6.212 1.00 1.00 H new ATOM 0 HD11 LEU A 30 112.274 11.125 5.452 1.00 1.00 H new ATOM 0 HD12 LEU A 30 112.994 10.668 7.015 1.00 1.00 H new ATOM 0 HD13 LEU A 30 111.352 11.352 6.957 1.00 1.00 H new ATOM 0 HD21 LEU A 30 111.939 13.509 4.874 1.00 1.00 H new ATOM 0 HD22 LEU A 30 110.997 13.714 6.370 1.00 1.00 H new ATOM 0 HD23 LEU A 30 112.384 14.779 6.039 1.00 1.00 H new ATOM 469 N GLU A 31 114.611 13.954 10.693 1.00 1.00 N ATOM 470 CA GLU A 31 114.562 14.401 12.065 1.00 1.00 C ATOM 471 C GLU A 31 115.276 15.716 12.202 1.00 1.00 C ATOM 472 O GLU A 31 114.825 16.619 12.894 1.00 1.00 O ATOM 473 CB GLU A 31 115.207 13.411 13.030 1.00 1.00 C ATOM 474 CG GLU A 31 115.380 12.076 12.346 1.00 1.00 C ATOM 475 CD GLU A 31 115.880 11.036 13.342 1.00 1.00 C ATOM 476 OE1 GLU A 31 116.153 11.409 14.471 1.00 1.00 O ATOM 477 OE2 GLU A 31 115.984 9.881 12.961 1.00 1.00 O ATOM 0 H GLU A 31 115.088 13.066 10.536 1.00 1.00 H new ATOM 0 HA GLU A 31 113.507 14.495 12.321 1.00 1.00 H new ATOM 0 HB2 GLU A 31 116.174 13.789 13.362 1.00 1.00 H new ATOM 0 HB3 GLU A 31 114.587 13.298 13.919 1.00 1.00 H new ATOM 0 HG2 GLU A 31 114.431 11.753 11.917 1.00 1.00 H new ATOM 0 HG3 GLU A 31 116.087 12.170 11.522 1.00 1.00 H new ATOM 484 N HIS A 32 116.396 15.813 11.507 1.00 1.00 N ATOM 485 CA HIS A 32 117.164 17.031 11.541 1.00 1.00 C ATOM 486 C HIS A 32 116.385 18.170 10.874 1.00 1.00 C ATOM 487 O HIS A 32 116.324 19.278 11.402 1.00 1.00 O ATOM 488 CB HIS A 32 118.504 16.832 10.824 1.00 1.00 C ATOM 489 CG HIS A 32 119.557 16.386 11.804 1.00 1.00 C ATOM 490 ND1 HIS A 32 119.798 15.048 12.075 1.00 1.00 N ATOM 491 CD2 HIS A 32 120.459 17.088 12.567 1.00 1.00 C ATOM 492 CE1 HIS A 32 120.810 14.987 12.961 1.00 1.00 C ATOM 493 NE2 HIS A 32 121.248 16.203 13.295 1.00 1.00 N ATOM 0 H HIS A 32 116.784 15.072 10.923 1.00 1.00 H new ATOM 0 HA HIS A 32 117.352 17.292 12.582 1.00 1.00 H new ATOM 0 HB2 HIS A 32 118.395 16.090 10.033 1.00 1.00 H new ATOM 0 HB3 HIS A 32 118.811 17.763 10.347 1.00 1.00 H new ATOM 0 HD1 HIS A 32 119.299 14.253 11.675 1.00 1.00 H new ATOM 0 HD2 HIS A 32 120.543 18.164 12.597 1.00 1.00 H new ATOM 0 HE1 HIS A 32 121.217 14.067 13.353 1.00 1.00 H new ATOM 501 N SER A 33 115.803 17.891 9.700 1.00 1.00 N ATOM 502 CA SER A 33 115.046 18.892 8.951 1.00 1.00 C ATOM 503 C SER A 33 113.828 19.381 9.708 1.00 1.00 C ATOM 504 O SER A 33 113.494 20.562 9.651 1.00 1.00 O ATOM 505 CB SER A 33 114.616 18.312 7.608 1.00 1.00 C ATOM 506 OG SER A 33 115.776 18.150 6.825 1.00 1.00 O ATOM 0 H SER A 33 115.845 16.976 9.251 1.00 1.00 H new ATOM 0 HA SER A 33 115.702 19.749 8.799 1.00 1.00 H new ATOM 0 HB2 SER A 33 114.111 17.356 7.747 1.00 1.00 H new ATOM 0 HB3 SER A 33 113.909 18.977 7.112 1.00 1.00 H new ATOM 0 HG SER A 33 116.098 19.028 6.531 1.00 1.00 H new ATOM 512 N LYS A 34 113.172 18.484 10.430 1.00 1.00 N ATOM 513 CA LYS A 34 112.010 18.875 11.196 1.00 1.00 C ATOM 514 C LYS A 34 112.426 19.953 12.167 1.00 1.00 C ATOM 515 O LYS A 34 111.631 20.804 12.567 1.00 1.00 O ATOM 516 CB LYS A 34 111.457 17.685 11.975 1.00 1.00 C ATOM 517 CG LYS A 34 110.836 16.678 11.004 1.00 1.00 C ATOM 518 CD LYS A 34 110.574 15.351 11.722 1.00 1.00 C ATOM 519 CE LYS A 34 110.655 14.202 10.718 1.00 1.00 C ATOM 520 NZ LYS A 34 109.801 13.075 11.192 1.00 1.00 N ATOM 0 H LYS A 34 113.423 17.498 10.498 1.00 1.00 H new ATOM 0 HA LYS A 34 111.235 19.238 10.521 1.00 1.00 H new ATOM 0 HB2 LYS A 34 112.254 17.210 12.547 1.00 1.00 H new ATOM 0 HB3 LYS A 34 110.709 18.023 12.692 1.00 1.00 H new ATOM 0 HG2 LYS A 34 109.903 17.075 10.603 1.00 1.00 H new ATOM 0 HG3 LYS A 34 111.504 16.517 10.158 1.00 1.00 H new ATOM 0 HD2 LYS A 34 111.305 15.205 12.517 1.00 1.00 H new ATOM 0 HD3 LYS A 34 109.591 15.368 12.192 1.00 1.00 H new ATOM 0 HE2 LYS A 34 110.323 14.538 9.736 1.00 1.00 H new ATOM 0 HE3 LYS A 34 111.688 13.871 10.609 1.00 1.00 H new ATOM 0 HZ1 LYS A 34 109.853 12.290 10.512 1.00 1.00 H new ATOM 0 HZ2 LYS A 34 110.138 12.751 12.121 1.00 1.00 H new ATOM 0 HZ3 LYS A 34 108.816 13.397 11.275 1.00 1.00 H new ATOM 534 N GLN A 35 113.684 19.866 12.582 1.00 1.00 N ATOM 535 CA GLN A 35 114.212 20.800 13.567 1.00 1.00 C ATOM 536 C GLN A 35 115.010 21.921 12.933 1.00 1.00 C ATOM 537 O GLN A 35 114.921 23.071 13.363 1.00 1.00 O ATOM 538 CB GLN A 35 115.128 20.060 14.533 1.00 1.00 C ATOM 539 CG GLN A 35 114.388 18.858 15.096 1.00 1.00 C ATOM 540 CD GLN A 35 115.317 18.031 15.981 1.00 1.00 C ATOM 541 OE1 GLN A 35 116.487 17.838 15.646 1.00 1.00 O ATOM 542 NE2 GLN A 35 114.864 17.526 17.097 1.00 1.00 N ATOM 0 H GLN A 35 114.351 19.166 12.256 1.00 1.00 H new ATOM 0 HA GLN A 35 113.355 21.233 14.082 1.00 1.00 H new ATOM 0 HB2 GLN A 35 116.034 19.738 14.020 1.00 1.00 H new ATOM 0 HB3 GLN A 35 115.438 20.723 15.341 1.00 1.00 H new ATOM 0 HG2 GLN A 35 113.526 19.191 15.673 1.00 1.00 H new ATOM 0 HG3 GLN A 35 114.007 18.242 14.281 1.00 1.00 H new ATOM 0 HE21 GLN A 35 113.895 17.686 17.373 1.00 1.00 H new ATOM 0 HE22 GLN A 35 115.479 16.971 17.692 1.00 1.00 H new ATOM 551 N ASP A 36 115.817 21.583 11.939 1.00 1.00 N ATOM 552 CA ASP A 36 116.667 22.577 11.283 1.00 1.00 C ATOM 553 C ASP A 36 116.033 23.185 10.034 1.00 1.00 C ATOM 554 O ASP A 36 116.455 24.251 9.589 1.00 1.00 O ATOM 555 CB ASP A 36 118.004 21.941 10.894 1.00 1.00 C ATOM 556 CG ASP A 36 118.828 21.641 12.141 1.00 1.00 C ATOM 557 OD1 ASP A 36 118.424 22.064 13.211 1.00 1.00 O ATOM 558 OD2 ASP A 36 119.855 20.994 12.007 1.00 1.00 O ATOM 0 H ASP A 36 115.905 20.637 11.568 1.00 1.00 H new ATOM 0 HA ASP A 36 116.809 23.382 12.004 1.00 1.00 H new ATOM 0 HB2 ASP A 36 117.829 21.022 10.335 1.00 1.00 H new ATOM 0 HB3 ASP A 36 118.557 22.613 10.237 1.00 1.00 H new ATOM 563 N HIS A 37 115.015 22.525 9.482 1.00 1.00 N ATOM 564 CA HIS A 37 114.307 23.023 8.300 1.00 1.00 C ATOM 565 C HIS A 37 115.151 22.968 7.024 1.00 1.00 C ATOM 566 O HIS A 37 114.792 23.580 6.018 1.00 1.00 O ATOM 567 CB HIS A 37 113.821 24.461 8.539 1.00 1.00 C ATOM 568 CG HIS A 37 113.141 24.542 9.880 1.00 1.00 C ATOM 569 ND1 HIS A 37 112.027 23.774 10.190 1.00 1.00 N ATOM 570 CD2 HIS A 37 113.401 25.292 11.001 1.00 1.00 C ATOM 571 CE1 HIS A 37 111.664 24.076 11.449 1.00 1.00 C ATOM 572 NE2 HIS A 37 112.467 24.996 11.990 1.00 1.00 N ATOM 0 H HIS A 37 114.659 21.637 9.837 1.00 1.00 H new ATOM 0 HA HIS A 37 113.456 22.359 8.147 1.00 1.00 H new ATOM 0 HB2 HIS A 37 114.663 25.152 8.504 1.00 1.00 H new ATOM 0 HB3 HIS A 37 113.131 24.759 7.750 1.00 1.00 H new ATOM 0 HD2 HIS A 37 114.208 26.003 11.100 1.00 1.00 H new ATOM 0 HE1 HIS A 37 110.825 23.629 11.961 1.00 1.00 H new ATOM 0 HE2 HIS A 37 112.408 25.396 12.927 1.00 1.00 H new ATOM 580 N LYS A 38 116.268 22.240 7.052 1.00 1.00 N ATOM 581 CA LYS A 38 117.113 22.148 5.860 1.00 1.00 C ATOM 582 C LYS A 38 116.546 21.118 4.874 1.00 1.00 C ATOM 583 O LYS A 38 116.035 20.079 5.293 1.00 1.00 O ATOM 584 CB LYS A 38 118.536 21.743 6.248 1.00 1.00 C ATOM 585 CG LYS A 38 119.208 22.887 7.005 1.00 1.00 C ATOM 586 CD LYS A 38 119.924 23.808 6.016 1.00 1.00 C ATOM 587 CE LYS A 38 120.417 25.051 6.753 1.00 1.00 C ATOM 588 NZ LYS A 38 119.512 26.195 6.450 1.00 1.00 N ATOM 0 H LYS A 38 116.603 21.719 7.862 1.00 1.00 H new ATOM 0 HA LYS A 38 117.131 23.128 5.383 1.00 1.00 H new ATOM 0 HB2 LYS A 38 118.513 20.847 6.869 1.00 1.00 H new ATOM 0 HB3 LYS A 38 119.111 21.498 5.355 1.00 1.00 H new ATOM 0 HG2 LYS A 38 118.464 23.450 7.568 1.00 1.00 H new ATOM 0 HG3 LYS A 38 119.920 22.489 7.728 1.00 1.00 H new ATOM 0 HD2 LYS A 38 120.764 23.286 5.557 1.00 1.00 H new ATOM 0 HD3 LYS A 38 119.247 24.093 5.211 1.00 1.00 H new ATOM 0 HE2 LYS A 38 120.440 24.866 7.827 1.00 1.00 H new ATOM 0 HE3 LYS A 38 121.436 25.288 6.448 1.00 1.00 H new ATOM 0 HZ1 LYS A 38 119.845 27.043 6.951 1.00 1.00 H new ATOM 0 HZ2 LYS A 38 119.511 26.375 5.426 1.00 1.00 H new ATOM 0 HZ3 LYS A 38 118.547 25.966 6.762 1.00 1.00 H new ATOM 602 N PRO A 39 116.619 21.369 3.584 1.00 1.00 N ATOM 603 CA PRO A 39 116.093 20.419 2.566 1.00 1.00 C ATOM 604 C PRO A 39 116.941 19.152 2.463 1.00 1.00 C ATOM 605 O PRO A 39 118.120 19.153 2.821 1.00 1.00 O ATOM 606 CB PRO A 39 116.107 21.222 1.267 1.00 1.00 C ATOM 607 CG PRO A 39 117.173 22.237 1.456 1.00 1.00 C ATOM 608 CD PRO A 39 117.203 22.562 2.949 1.00 1.00 C ATOM 0 HA PRO A 39 115.097 20.056 2.820 1.00 1.00 H new ATOM 0 HB2 PRO A 39 116.318 20.583 0.410 1.00 1.00 H new ATOM 0 HB3 PRO A 39 115.141 21.693 1.083 1.00 1.00 H new ATOM 0 HG2 PRO A 39 118.137 21.853 1.123 1.00 1.00 H new ATOM 0 HG3 PRO A 39 116.966 23.131 0.868 1.00 1.00 H new ATOM 0 HD2 PRO A 39 118.220 22.743 3.298 1.00 1.00 H new ATOM 0 HD3 PRO A 39 116.625 23.458 3.174 1.00 1.00 H new ATOM 616 N ILE A 40 116.324 18.068 1.994 1.00 1.00 N ATOM 617 CA ILE A 40 117.021 16.788 1.871 1.00 1.00 C ATOM 618 C ILE A 40 117.224 16.434 0.402 1.00 1.00 C ATOM 619 O ILE A 40 116.282 16.489 -0.383 1.00 1.00 O ATOM 620 CB ILE A 40 116.210 15.662 2.520 1.00 1.00 C ATOM 621 CG1 ILE A 40 115.374 16.203 3.690 1.00 1.00 C ATOM 622 CG2 ILE A 40 117.191 14.619 3.051 1.00 1.00 C ATOM 623 CD1 ILE A 40 114.493 15.084 4.261 1.00 1.00 C ATOM 0 H ILE A 40 115.349 18.050 1.695 1.00 1.00 H new ATOM 0 HA ILE A 40 117.983 16.889 2.373 1.00 1.00 H new ATOM 0 HB ILE A 40 115.535 15.227 1.783 1.00 1.00 H new ATOM 0 HG12 ILE A 40 116.030 16.594 4.467 1.00 1.00 H new ATOM 0 HG13 ILE A 40 114.752 17.031 3.352 1.00 1.00 H new ATOM 0 HG21 ILE A 40 116.638 13.805 3.519 1.00 1.00 H new ATOM 0 HG22 ILE A 40 117.786 14.227 2.227 1.00 1.00 H new ATOM 0 HG23 ILE A 40 117.850 15.080 3.787 1.00 1.00 H new ATOM 0 HD11 ILE A 40 113.902 15.473 5.090 1.00 1.00 H new ATOM 0 HD12 ILE A 40 113.826 14.713 3.483 1.00 1.00 H new ATOM 0 HD13 ILE A 40 115.124 14.269 4.616 1.00 1.00 H new ATOM 635 N GLY A 41 118.439 16.033 0.044 1.00 1.00 N ATOM 636 CA GLY A 41 118.729 15.635 -1.327 1.00 1.00 C ATOM 637 C GLY A 41 118.908 14.119 -1.396 1.00 1.00 C ATOM 638 O GLY A 41 119.852 13.578 -0.822 1.00 1.00 O ATOM 0 H GLY A 41 119.234 15.975 0.680 1.00 1.00 H new ATOM 0 HA2 GLY A 41 117.918 15.945 -1.985 1.00 1.00 H new ATOM 0 HA3 GLY A 41 119.633 16.134 -1.677 1.00 1.00 H new ATOM 642 N LEU A 42 118.026 13.441 -2.132 1.00 1.00 N ATOM 643 CA LEU A 42 118.146 12.000 -2.292 1.00 1.00 C ATOM 644 C LEU A 42 118.869 11.714 -3.597 1.00 1.00 C ATOM 645 O LEU A 42 118.424 12.124 -4.673 1.00 1.00 O ATOM 646 CB LEU A 42 116.784 11.292 -2.366 1.00 1.00 C ATOM 647 CG LEU A 42 115.906 11.564 -1.142 1.00 1.00 C ATOM 648 CD1 LEU A 42 115.685 13.053 -0.931 1.00 1.00 C ATOM 649 CD2 LEU A 42 114.542 10.920 -1.372 1.00 1.00 C ATOM 0 H LEU A 42 117.234 13.862 -2.618 1.00 1.00 H new ATOM 0 HA LEU A 42 118.684 11.627 -1.421 1.00 1.00 H new ATOM 0 HB2 LEU A 42 116.259 11.618 -3.264 1.00 1.00 H new ATOM 0 HB3 LEU A 42 116.943 10.218 -2.462 1.00 1.00 H new ATOM 0 HG LEU A 42 116.409 11.154 -0.266 1.00 1.00 H new ATOM 0 HD11 LEU A 42 115.057 13.207 -0.053 1.00 1.00 H new ATOM 0 HD12 LEU A 42 116.646 13.546 -0.781 1.00 1.00 H new ATOM 0 HD13 LEU A 42 115.193 13.476 -1.807 1.00 1.00 H new ATOM 0 HD21 LEU A 42 113.903 11.104 -0.509 1.00 1.00 H new ATOM 0 HD22 LEU A 42 114.082 11.349 -2.262 1.00 1.00 H new ATOM 0 HD23 LEU A 42 114.665 9.846 -1.510 1.00 1.00 H new ATOM 661 N PHE A 43 119.990 11.020 -3.489 1.00 1.00 N ATOM 662 CA PHE A 43 120.792 10.687 -4.658 1.00 1.00 C ATOM 663 C PHE A 43 120.409 9.293 -5.164 1.00 1.00 C ATOM 664 O PHE A 43 120.772 8.288 -4.552 1.00 1.00 O ATOM 665 CB PHE A 43 122.270 10.737 -4.252 1.00 1.00 C ATOM 666 CG PHE A 43 123.169 10.683 -5.463 1.00 1.00 C ATOM 667 CD1 PHE A 43 123.162 11.733 -6.388 1.00 1.00 C ATOM 668 CD2 PHE A 43 124.033 9.597 -5.645 1.00 1.00 C ATOM 669 CE1 PHE A 43 124.015 11.696 -7.496 1.00 1.00 C ATOM 670 CE2 PHE A 43 124.882 9.559 -6.752 1.00 1.00 C ATOM 671 CZ PHE A 43 124.875 10.608 -7.678 1.00 1.00 C ATOM 0 H PHE A 43 120.366 10.676 -2.606 1.00 1.00 H new ATOM 0 HA PHE A 43 120.614 11.397 -5.465 1.00 1.00 H new ATOM 0 HB2 PHE A 43 122.465 11.651 -3.691 1.00 1.00 H new ATOM 0 HB3 PHE A 43 122.497 9.902 -3.590 1.00 1.00 H new ATOM 0 HD1 PHE A 43 122.498 12.573 -6.246 1.00 1.00 H new ATOM 0 HD2 PHE A 43 124.043 8.789 -4.929 1.00 1.00 H new ATOM 0 HE1 PHE A 43 124.010 12.506 -8.210 1.00 1.00 H new ATOM 0 HE2 PHE A 43 125.545 8.719 -6.894 1.00 1.00 H new ATOM 0 HZ PHE A 43 125.534 10.578 -8.533 1.00 1.00 H new ATOM 681 N PHE A 44 119.695 9.229 -6.293 1.00 1.00 N ATOM 682 CA PHE A 44 119.288 7.951 -6.893 1.00 1.00 C ATOM 683 C PHE A 44 120.269 7.575 -7.998 1.00 1.00 C ATOM 684 O PHE A 44 120.477 8.361 -8.921 1.00 1.00 O ATOM 685 CB PHE A 44 117.882 8.067 -7.485 1.00 1.00 C ATOM 686 CG PHE A 44 116.850 7.954 -6.389 1.00 1.00 C ATOM 687 CD1 PHE A 44 116.404 9.099 -5.714 1.00 1.00 C ATOM 688 CD2 PHE A 44 116.330 6.697 -6.054 1.00 1.00 C ATOM 689 CE1 PHE A 44 115.438 8.980 -4.707 1.00 1.00 C ATOM 690 CE2 PHE A 44 115.364 6.583 -5.049 1.00 1.00 C ATOM 691 CZ PHE A 44 114.918 7.725 -4.377 1.00 1.00 C ATOM 0 H PHE A 44 119.385 10.050 -6.813 1.00 1.00 H new ATOM 0 HA PHE A 44 119.286 7.183 -6.120 1.00 1.00 H new ATOM 0 HB2 PHE A 44 117.773 9.021 -8.001 1.00 1.00 H new ATOM 0 HB3 PHE A 44 117.725 7.284 -8.226 1.00 1.00 H new ATOM 0 HD1 PHE A 44 116.804 10.069 -5.970 1.00 1.00 H new ATOM 0 HD2 PHE A 44 116.676 5.815 -6.572 1.00 1.00 H new ATOM 0 HE1 PHE A 44 115.094 9.860 -4.184 1.00 1.00 H new ATOM 0 HE2 PHE A 44 114.963 5.614 -4.792 1.00 1.00 H new ATOM 0 HZ PHE A 44 114.171 7.638 -3.602 1.00 1.00 H new ATOM 701 N THR A 45 120.873 6.383 -7.910 1.00 1.00 N ATOM 702 CA THR A 45 121.830 5.979 -8.946 1.00 1.00 C ATOM 703 C THR A 45 121.998 4.467 -9.103 1.00 1.00 C ATOM 704 O THR A 45 121.364 3.669 -8.415 1.00 1.00 O ATOM 705 CB THR A 45 123.200 6.598 -8.653 1.00 1.00 C ATOM 706 OG1 THR A 45 123.559 6.338 -7.307 1.00 1.00 O ATOM 707 CG2 THR A 45 123.151 8.105 -8.883 1.00 1.00 C ATOM 0 H THR A 45 120.724 5.705 -7.163 1.00 1.00 H new ATOM 0 HA THR A 45 121.414 6.344 -9.885 1.00 1.00 H new ATOM 0 HB THR A 45 123.940 6.158 -9.321 1.00 1.00 H new ATOM 0 HG1 THR A 45 123.076 5.548 -6.986 1.00 1.00 H new ATOM 0 HG21 THR A 45 124.129 8.537 -8.672 1.00 1.00 H new ATOM 0 HG22 THR A 45 122.881 8.306 -9.920 1.00 1.00 H new ATOM 0 HG23 THR A 45 122.408 8.550 -8.222 1.00 1.00 H new ATOM 715 N GLY A 46 122.942 4.117 -9.978 1.00 1.00 N ATOM 716 CA GLY A 46 123.344 2.742 -10.235 1.00 1.00 C ATOM 717 C GLY A 46 124.860 2.732 -10.156 1.00 1.00 C ATOM 718 O GLY A 46 125.557 2.961 -11.145 1.00 1.00 O ATOM 0 H GLY A 46 123.456 4.798 -10.537 1.00 1.00 H new ATOM 0 HA2 GLY A 46 122.910 2.064 -9.500 1.00 1.00 H new ATOM 0 HA3 GLY A 46 123.001 2.411 -11.216 1.00 1.00 H new ATOM 722 N SER A 47 125.351 2.544 -8.940 1.00 1.00 N ATOM 723 CA SER A 47 126.773 2.589 -8.647 1.00 1.00 C ATOM 724 C SER A 47 127.640 1.667 -9.497 1.00 1.00 C ATOM 725 O SER A 47 128.787 2.007 -9.783 1.00 1.00 O ATOM 726 CB SER A 47 126.982 2.230 -7.175 1.00 1.00 C ATOM 727 OG SER A 47 126.296 3.170 -6.359 1.00 1.00 O ATOM 0 H SER A 47 124.769 2.355 -8.124 1.00 1.00 H new ATOM 0 HA SER A 47 127.092 3.604 -8.884 1.00 1.00 H new ATOM 0 HB2 SER A 47 126.613 1.223 -6.979 1.00 1.00 H new ATOM 0 HB3 SER A 47 128.045 2.232 -6.936 1.00 1.00 H new ATOM 0 HG SER A 47 126.245 2.831 -5.441 1.00 1.00 H new ATOM 733 N ASP A 48 127.142 0.482 -9.846 1.00 1.00 N ATOM 734 CA ASP A 48 127.949 -0.477 -10.595 1.00 1.00 C ATOM 735 C ASP A 48 127.590 -0.600 -12.079 1.00 1.00 C ATOM 736 O ASP A 48 128.228 -1.392 -12.775 1.00 1.00 O ATOM 737 CB ASP A 48 127.806 -1.855 -9.941 1.00 1.00 C ATOM 738 CG ASP A 48 128.469 -1.855 -8.567 1.00 1.00 C ATOM 739 OD1 ASP A 48 129.284 -0.981 -8.324 1.00 1.00 O ATOM 740 OD2 ASP A 48 128.147 -2.725 -7.775 1.00 1.00 O ATOM 0 H ASP A 48 126.197 0.167 -9.626 1.00 1.00 H new ATOM 0 HA ASP A 48 128.972 -0.102 -10.561 1.00 1.00 H new ATOM 0 HB2 ASP A 48 126.751 -2.112 -9.844 1.00 1.00 H new ATOM 0 HB3 ASP A 48 128.263 -2.616 -10.574 1.00 1.00 H new ATOM 745 N TRP A 49 126.548 0.092 -12.566 1.00 1.00 N ATOM 746 CA TRP A 49 126.158 -0.101 -13.968 1.00 1.00 C ATOM 747 C TRP A 49 125.916 1.188 -14.751 1.00 1.00 C ATOM 748 O TRP A 49 126.035 1.177 -15.976 1.00 1.00 O ATOM 749 CB TRP A 49 124.902 -0.984 -14.033 1.00 1.00 C ATOM 750 CG TRP A 49 123.898 -0.566 -12.997 1.00 1.00 C ATOM 751 CD1 TRP A 49 124.101 -0.564 -11.655 1.00 1.00 C ATOM 752 CD2 TRP A 49 122.523 -0.118 -13.199 1.00 1.00 C ATOM 753 NE1 TRP A 49 122.951 -0.126 -11.029 1.00 1.00 N ATOM 754 CE2 TRP A 49 121.950 0.160 -11.936 1.00 1.00 C ATOM 755 CE3 TRP A 49 121.727 0.075 -14.345 1.00 1.00 C ATOM 756 CZ2 TRP A 49 120.637 0.621 -11.813 1.00 1.00 C ATOM 757 CZ3 TRP A 49 120.404 0.536 -14.224 1.00 1.00 C ATOM 758 CH2 TRP A 49 119.861 0.806 -12.962 1.00 1.00 C ATOM 0 H TRP A 49 125.985 0.759 -12.038 1.00 1.00 H new ATOM 0 HA TRP A 49 127.010 -0.582 -14.448 1.00 1.00 H new ATOM 0 HB2 TRP A 49 124.456 -0.916 -15.025 1.00 1.00 H new ATOM 0 HB3 TRP A 49 125.178 -2.027 -13.878 1.00 1.00 H new ATOM 0 HD1 TRP A 49 125.014 -0.857 -11.158 1.00 1.00 H new ATOM 0 HE1 TRP A 49 122.853 -0.026 -10.019 1.00 1.00 H new ATOM 0 HE3 TRP A 49 122.135 -0.132 -15.323 1.00 1.00 H new ATOM 0 HZ2 TRP A 49 120.224 0.833 -10.838 1.00 1.00 H new ATOM 0 HZ3 TRP A 49 119.803 0.683 -15.110 1.00 1.00 H new ATOM 0 HH2 TRP A 49 118.843 1.157 -12.876 1.00 1.00 H new ATOM 769 N CYS A 50 125.612 2.295 -14.086 1.00 1.00 N ATOM 770 CA CYS A 50 125.407 3.553 -14.803 1.00 1.00 C ATOM 771 C CYS A 50 126.684 4.398 -14.719 1.00 1.00 C ATOM 772 O CYS A 50 127.409 4.327 -13.727 1.00 1.00 O ATOM 773 CB CYS A 50 124.227 4.318 -14.203 1.00 1.00 C ATOM 774 SG CYS A 50 124.660 6.063 -14.094 1.00 1.00 S ATOM 0 H CYS A 50 125.503 2.352 -13.073 1.00 1.00 H new ATOM 0 HA CYS A 50 125.183 3.340 -15.848 1.00 1.00 H new ATOM 0 HB2 CYS A 50 123.339 4.188 -14.822 1.00 1.00 H new ATOM 0 HB3 CYS A 50 123.987 3.926 -13.214 1.00 1.00 H new ATOM 779 N MET A 51 126.975 5.168 -15.773 1.00 1.00 N ATOM 780 CA MET A 51 128.195 5.984 -15.801 1.00 1.00 C ATOM 781 C MET A 51 127.916 7.474 -15.589 1.00 1.00 C ATOM 782 O MET A 51 128.724 8.174 -14.982 1.00 1.00 O ATOM 783 CB MET A 51 128.913 5.781 -17.136 1.00 1.00 C ATOM 784 CG MET A 51 130.286 6.457 -17.094 1.00 1.00 C ATOM 785 SD MET A 51 131.210 6.034 -18.594 1.00 1.00 S ATOM 786 CE MET A 51 130.109 6.839 -19.782 1.00 1.00 C ATOM 0 H MET A 51 126.392 5.244 -16.607 1.00 1.00 H new ATOM 0 HA MET A 51 128.824 5.655 -14.974 1.00 1.00 H new ATOM 0 HB2 MET A 51 129.028 4.716 -17.340 1.00 1.00 H new ATOM 0 HB3 MET A 51 128.317 6.198 -17.947 1.00 1.00 H new ATOM 0 HG2 MET A 51 130.169 7.538 -17.018 1.00 1.00 H new ATOM 0 HG3 MET A 51 130.836 6.133 -16.211 1.00 1.00 H new ATOM 0 HE1 MET A 51 130.673 7.111 -20.674 1.00 1.00 H new ATOM 0 HE2 MET A 51 129.306 6.155 -20.055 1.00 1.00 H new ATOM 0 HE3 MET A 51 129.684 7.737 -19.334 1.00 1.00 H new ATOM 796 N TRP A 52 126.779 7.965 -16.074 1.00 1.00 N ATOM 797 CA TRP A 52 126.439 9.374 -15.905 1.00 1.00 C ATOM 798 C TRP A 52 126.343 9.694 -14.418 1.00 1.00 C ATOM 799 O TRP A 52 126.599 10.819 -13.990 1.00 1.00 O ATOM 800 CB TRP A 52 125.100 9.681 -16.584 1.00 1.00 C ATOM 801 CG TRP A 52 125.237 9.531 -18.067 1.00 1.00 C ATOM 802 CD1 TRP A 52 126.042 10.282 -18.854 1.00 1.00 C ATOM 803 CD2 TRP A 52 124.568 8.584 -18.951 1.00 1.00 C ATOM 804 NE1 TRP A 52 125.905 9.861 -20.165 1.00 1.00 N ATOM 805 CE2 TRP A 52 125.011 8.815 -20.276 1.00 1.00 C ATOM 806 CE3 TRP A 52 123.629 7.560 -18.736 1.00 1.00 C ATOM 807 CZ2 TRP A 52 124.542 8.055 -21.347 1.00 1.00 C ATOM 808 CZ3 TRP A 52 123.154 6.792 -19.813 1.00 1.00 C ATOM 809 CH2 TRP A 52 123.610 7.038 -21.116 1.00 1.00 C ATOM 0 H TRP A 52 126.085 7.416 -16.581 1.00 1.00 H new ATOM 0 HA TRP A 52 127.215 9.986 -16.365 1.00 1.00 H new ATOM 0 HB2 TRP A 52 124.330 9.006 -16.211 1.00 1.00 H new ATOM 0 HB3 TRP A 52 124.782 10.695 -16.340 1.00 1.00 H new ATOM 0 HD1 TRP A 52 126.686 11.080 -18.514 1.00 1.00 H new ATOM 0 HE1 TRP A 52 126.404 10.273 -20.953 1.00 1.00 H new ATOM 0 HE3 TRP A 52 123.270 7.362 -17.737 1.00 1.00 H new ATOM 0 HZ2 TRP A 52 124.896 8.250 -22.348 1.00 1.00 H new ATOM 0 HZ3 TRP A 52 122.433 6.007 -19.636 1.00 1.00 H new ATOM 0 HH2 TRP A 52 123.242 6.444 -21.939 1.00 1.00 H new ATOM 820 N CYS A 53 125.985 8.684 -13.640 1.00 1.00 N ATOM 821 CA CYS A 53 125.867 8.844 -12.200 1.00 1.00 C ATOM 822 C CYS A 53 127.235 9.091 -11.611 1.00 1.00 C ATOM 823 O CYS A 53 127.408 9.957 -10.756 1.00 1.00 O ATOM 824 CB CYS A 53 125.276 7.585 -11.567 1.00 1.00 C ATOM 825 SG CYS A 53 125.867 6.147 -12.481 1.00 1.00 S ATOM 0 H CYS A 53 125.772 7.747 -13.981 1.00 1.00 H new ATOM 0 HA CYS A 53 125.209 9.688 -11.996 1.00 1.00 H new ATOM 0 HB2 CYS A 53 125.570 7.514 -10.520 1.00 1.00 H new ATOM 0 HB3 CYS A 53 124.187 7.626 -11.590 1.00 1.00 H new ATOM 830 N ILE A 54 128.210 8.339 -12.098 1.00 1.00 N ATOM 831 CA ILE A 54 129.560 8.505 -11.624 1.00 1.00 C ATOM 832 C ILE A 54 130.003 9.912 -11.950 1.00 1.00 C ATOM 833 O ILE A 54 130.611 10.587 -11.122 1.00 1.00 O ATOM 834 CB ILE A 54 130.495 7.516 -12.312 1.00 1.00 C ATOM 835 CG1 ILE A 54 130.152 6.086 -11.878 1.00 1.00 C ATOM 836 CG2 ILE A 54 131.939 7.839 -11.925 1.00 1.00 C ATOM 837 CD1 ILE A 54 130.935 5.090 -12.737 1.00 1.00 C ATOM 0 H ILE A 54 128.087 7.620 -12.811 1.00 1.00 H new ATOM 0 HA ILE A 54 129.593 8.324 -10.550 1.00 1.00 H new ATOM 0 HB ILE A 54 130.378 7.596 -13.393 1.00 1.00 H new ATOM 0 HG12 ILE A 54 130.397 5.946 -10.825 1.00 1.00 H new ATOM 0 HG13 ILE A 54 129.081 5.910 -11.983 1.00 1.00 H new ATOM 0 HG21 ILE A 54 132.613 7.135 -12.414 1.00 1.00 H new ATOM 0 HG22 ILE A 54 132.182 8.853 -12.241 1.00 1.00 H new ATOM 0 HG23 ILE A 54 132.053 7.759 -10.844 1.00 1.00 H new ATOM 0 HD11 ILE A 54 130.691 4.073 -12.429 1.00 1.00 H new ATOM 0 HD12 ILE A 54 130.668 5.225 -13.785 1.00 1.00 H new ATOM 0 HD13 ILE A 54 132.004 5.261 -12.610 1.00 1.00 H new ATOM 849 N LYS A 55 129.721 10.353 -13.180 1.00 1.00 N ATOM 850 CA LYS A 55 130.120 11.673 -13.620 1.00 1.00 C ATOM 851 C LYS A 55 129.482 12.747 -12.760 1.00 1.00 C ATOM 852 O LYS A 55 130.164 13.662 -12.311 1.00 1.00 O ATOM 853 CB LYS A 55 129.721 11.879 -15.089 1.00 1.00 C ATOM 854 CG LYS A 55 130.406 10.848 -16.010 1.00 1.00 C ATOM 855 CD LYS A 55 131.922 11.084 -16.091 1.00 1.00 C ATOM 856 CE LYS A 55 132.520 10.104 -17.104 1.00 1.00 C ATOM 857 NZ LYS A 55 133.978 10.376 -17.267 1.00 1.00 N ATOM 0 H LYS A 55 129.218 9.808 -13.880 1.00 1.00 H new ATOM 0 HA LYS A 55 131.203 11.752 -13.523 1.00 1.00 H new ATOM 0 HB2 LYS A 55 128.639 11.795 -15.189 1.00 1.00 H new ATOM 0 HB3 LYS A 55 129.993 12.887 -15.403 1.00 1.00 H new ATOM 0 HG2 LYS A 55 130.213 9.842 -15.638 1.00 1.00 H new ATOM 0 HG3 LYS A 55 129.974 10.907 -17.009 1.00 1.00 H new ATOM 0 HD2 LYS A 55 132.129 12.111 -16.392 1.00 1.00 H new ATOM 0 HD3 LYS A 55 132.379 10.941 -15.112 1.00 1.00 H new ATOM 0 HE2 LYS A 55 132.367 9.079 -16.767 1.00 1.00 H new ATOM 0 HE3 LYS A 55 132.012 10.203 -18.063 1.00 1.00 H new ATOM 0 HZ1 LYS A 55 134.381 9.709 -17.956 1.00 1.00 H new ATOM 0 HZ2 LYS A 55 134.114 11.349 -17.608 1.00 1.00 H new ATOM 0 HZ3 LYS A 55 134.457 10.260 -16.351 1.00 1.00 H new ATOM 871 N MET A 56 128.180 12.640 -12.510 1.00 1.00 N ATOM 872 CA MET A 56 127.508 13.622 -11.689 1.00 1.00 C ATOM 873 C MET A 56 128.107 13.598 -10.304 1.00 1.00 C ATOM 874 O MET A 56 128.400 14.633 -9.709 1.00 1.00 O ATOM 875 CB MET A 56 126.014 13.313 -11.620 1.00 1.00 C ATOM 876 CG MET A 56 125.313 14.390 -10.797 1.00 1.00 C ATOM 877 SD MET A 56 123.526 14.128 -10.859 1.00 1.00 S ATOM 878 CE MET A 56 123.101 15.243 -9.505 1.00 1.00 C ATOM 0 H MET A 56 127.583 11.892 -12.862 1.00 1.00 H new ATOM 0 HA MET A 56 127.637 14.613 -12.125 1.00 1.00 H new ATOM 0 HB2 MET A 56 125.592 13.275 -12.624 1.00 1.00 H new ATOM 0 HB3 MET A 56 125.854 12.333 -11.170 1.00 1.00 H new ATOM 0 HG2 MET A 56 125.660 14.357 -9.764 1.00 1.00 H new ATOM 0 HG3 MET A 56 125.560 15.378 -11.185 1.00 1.00 H new ATOM 0 HE1 MET A 56 122.475 14.718 -8.784 1.00 1.00 H new ATOM 0 HE2 MET A 56 124.013 15.583 -9.014 1.00 1.00 H new ATOM 0 HE3 MET A 56 122.559 16.103 -9.898 1.00 1.00 H new ATOM 888 N GLN A 57 128.292 12.385 -9.806 1.00 1.00 N ATOM 889 CA GLN A 57 128.856 12.170 -8.493 1.00 1.00 C ATOM 890 C GLN A 57 130.309 12.630 -8.443 1.00 1.00 C ATOM 891 O GLN A 57 130.697 13.356 -7.528 1.00 1.00 O ATOM 892 CB GLN A 57 128.764 10.683 -8.159 1.00 1.00 C ATOM 893 CG GLN A 57 129.760 10.351 -7.062 1.00 1.00 C ATOM 894 CD GLN A 57 129.358 9.057 -6.365 1.00 1.00 C ATOM 895 OE1 GLN A 57 129.141 8.039 -7.022 1.00 1.00 O ATOM 896 NE2 GLN A 57 129.244 9.035 -5.065 1.00 1.00 N ATOM 0 H GLN A 57 128.054 11.527 -10.304 1.00 1.00 H new ATOM 0 HA GLN A 57 128.297 12.753 -7.761 1.00 1.00 H new ATOM 0 HB2 GLN A 57 127.753 10.433 -7.836 1.00 1.00 H new ATOM 0 HB3 GLN A 57 128.971 10.086 -9.047 1.00 1.00 H new ATOM 0 HG2 GLN A 57 130.759 10.250 -7.486 1.00 1.00 H new ATOM 0 HG3 GLN A 57 129.801 11.165 -6.339 1.00 1.00 H new ATOM 0 HE21 GLN A 57 129.424 9.880 -4.523 1.00 1.00 H new ATOM 0 HE22 GLN A 57 128.975 8.173 -4.591 1.00 1.00 H new ATOM 905 N ASP A 58 131.113 12.212 -9.405 1.00 1.00 N ATOM 906 CA ASP A 58 132.523 12.592 -9.406 1.00 1.00 C ATOM 907 C ASP A 58 132.728 14.076 -9.699 1.00 1.00 C ATOM 908 O ASP A 58 133.643 14.692 -9.153 1.00 1.00 O ATOM 909 CB ASP A 58 133.276 11.772 -10.455 1.00 1.00 C ATOM 910 CG ASP A 58 134.781 11.920 -10.256 1.00 1.00 C ATOM 911 OD1 ASP A 58 135.179 12.825 -9.540 1.00 1.00 O ATOM 912 OD2 ASP A 58 135.515 11.125 -10.821 1.00 1.00 O ATOM 0 H ASP A 58 130.825 11.620 -10.184 1.00 1.00 H new ATOM 0 HA ASP A 58 132.909 12.392 -8.407 1.00 1.00 H new ATOM 0 HB2 ASP A 58 132.993 10.722 -10.379 1.00 1.00 H new ATOM 0 HB3 ASP A 58 132.999 12.105 -11.455 1.00 1.00 H new ATOM 917 N GLN A 59 131.925 14.639 -10.587 1.00 1.00 N ATOM 918 CA GLN A 59 132.114 16.039 -10.954 1.00 1.00 C ATOM 919 C GLN A 59 131.338 17.042 -10.091 1.00 1.00 C ATOM 920 O GLN A 59 131.760 18.195 -9.992 1.00 1.00 O ATOM 921 CB GLN A 59 131.720 16.245 -12.417 1.00 1.00 C ATOM 922 CG GLN A 59 132.690 15.487 -13.327 1.00 1.00 C ATOM 923 CD GLN A 59 132.239 15.610 -14.780 1.00 1.00 C ATOM 924 OE1 GLN A 59 131.268 16.310 -15.071 1.00 1.00 O ATOM 925 NE2 GLN A 59 132.888 14.970 -15.714 1.00 1.00 N ATOM 0 H GLN A 59 131.154 14.166 -11.058 1.00 1.00 H new ATOM 0 HA GLN A 59 133.172 16.241 -10.785 1.00 1.00 H new ATOM 0 HB2 GLN A 59 130.702 15.893 -12.582 1.00 1.00 H new ATOM 0 HB3 GLN A 59 131.733 17.307 -12.661 1.00 1.00 H new ATOM 0 HG2 GLN A 59 133.697 15.888 -13.214 1.00 1.00 H new ATOM 0 HG3 GLN A 59 132.730 14.437 -13.037 1.00 1.00 H new ATOM 0 HE21 GLN A 59 133.692 14.391 -15.471 1.00 1.00 H new ATOM 0 HE22 GLN A 59 132.591 15.049 -16.687 1.00 1.00 H new ATOM 934 N ILE A 60 130.198 16.651 -9.507 1.00 1.00 N ATOM 935 CA ILE A 60 129.414 17.616 -8.720 1.00 1.00 C ATOM 936 C ILE A 60 129.351 17.270 -7.240 1.00 1.00 C ATOM 937 O ILE A 60 129.677 18.114 -6.412 1.00 1.00 O ATOM 938 CB ILE A 60 127.983 17.699 -9.267 1.00 1.00 C ATOM 939 CG1 ILE A 60 128.021 18.180 -10.720 1.00 1.00 C ATOM 940 CG2 ILE A 60 127.160 18.693 -8.434 1.00 1.00 C ATOM 941 CD1 ILE A 60 126.642 17.996 -11.358 1.00 1.00 C ATOM 0 H ILE A 60 129.807 15.710 -9.559 1.00 1.00 H new ATOM 0 HA ILE A 60 129.924 18.575 -8.814 1.00 1.00 H new ATOM 0 HB ILE A 60 127.524 16.712 -9.212 1.00 1.00 H new ATOM 0 HG12 ILE A 60 128.314 19.229 -10.759 1.00 1.00 H new ATOM 0 HG13 ILE A 60 128.770 17.619 -11.280 1.00 1.00 H new ATOM 0 HG21 ILE A 60 126.145 18.746 -8.829 1.00 1.00 H new ATOM 0 HG22 ILE A 60 127.129 18.360 -7.397 1.00 1.00 H new ATOM 0 HG23 ILE A 60 127.621 19.679 -8.485 1.00 1.00 H new ATOM 0 HD11 ILE A 60 126.671 18.339 -12.392 1.00 1.00 H new ATOM 0 HD12 ILE A 60 126.367 16.941 -11.333 1.00 1.00 H new ATOM 0 HD13 ILE A 60 125.904 18.576 -10.804 1.00 1.00 H new ATOM 953 N LEU A 61 128.904 16.082 -6.880 1.00 1.00 N ATOM 954 CA LEU A 61 128.779 15.744 -5.470 1.00 1.00 C ATOM 955 C LEU A 61 130.134 15.790 -4.768 1.00 1.00 C ATOM 956 O LEU A 61 130.235 16.250 -3.630 1.00 1.00 O ATOM 957 CB LEU A 61 128.177 14.347 -5.262 1.00 1.00 C ATOM 958 CG LEU A 61 126.693 14.271 -5.698 1.00 1.00 C ATOM 959 CD1 LEU A 61 125.776 14.884 -4.642 1.00 1.00 C ATOM 960 CD2 LEU A 61 126.454 15.015 -7.006 1.00 1.00 C ATOM 0 H LEU A 61 128.625 15.345 -7.528 1.00 1.00 H new ATOM 0 HA LEU A 61 128.110 16.489 -5.040 1.00 1.00 H new ATOM 0 HB2 LEU A 61 128.756 13.617 -5.827 1.00 1.00 H new ATOM 0 HB3 LEU A 61 128.258 14.073 -4.210 1.00 1.00 H new ATOM 0 HG LEU A 61 126.467 13.213 -5.827 1.00 1.00 H new ATOM 0 HD11 LEU A 61 124.741 14.816 -4.976 1.00 1.00 H new ATOM 0 HD12 LEU A 61 125.891 14.343 -3.703 1.00 1.00 H new ATOM 0 HD13 LEU A 61 126.041 15.931 -4.493 1.00 1.00 H new ATOM 0 HD21 LEU A 61 125.402 14.940 -7.280 1.00 1.00 H new ATOM 0 HD22 LEU A 61 126.723 16.064 -6.882 1.00 1.00 H new ATOM 0 HD23 LEU A 61 127.066 14.574 -7.793 1.00 1.00 H new ATOM 972 N GLN A 62 131.175 15.293 -5.440 1.00 1.00 N ATOM 973 CA GLN A 62 132.514 15.258 -4.864 1.00 1.00 C ATOM 974 C GLN A 62 133.286 16.551 -5.128 1.00 1.00 C ATOM 975 O GLN A 62 134.438 16.681 -4.715 1.00 1.00 O ATOM 976 CB GLN A 62 133.302 14.095 -5.464 1.00 1.00 C ATOM 977 CG GLN A 62 132.671 12.764 -5.053 1.00 1.00 C ATOM 978 CD GLN A 62 133.413 11.619 -5.735 1.00 1.00 C ATOM 979 OE1 GLN A 62 134.459 11.835 -6.345 1.00 1.00 O ATOM 980 NE2 GLN A 62 132.927 10.409 -5.681 1.00 1.00 N ATOM 0 H GLN A 62 131.113 14.910 -6.383 1.00 1.00 H new ATOM 0 HA GLN A 62 132.399 15.136 -3.787 1.00 1.00 H new ATOM 0 HB2 GLN A 62 133.318 14.179 -6.551 1.00 1.00 H new ATOM 0 HB3 GLN A 62 134.338 14.135 -5.126 1.00 1.00 H new ATOM 0 HG2 GLN A 62 132.716 12.647 -3.970 1.00 1.00 H new ATOM 0 HG3 GLN A 62 131.618 12.747 -5.332 1.00 1.00 H new ATOM 0 HE21 GLN A 62 132.060 10.230 -5.175 1.00 1.00 H new ATOM 0 HE22 GLN A 62 133.415 9.642 -6.145 1.00 1.00 H new ATOM 989 N SER A 63 132.663 17.503 -5.814 1.00 1.00 N ATOM 990 CA SER A 63 133.319 18.772 -6.119 1.00 1.00 C ATOM 991 C SER A 63 133.320 19.687 -4.896 1.00 1.00 C ATOM 992 O SER A 63 132.454 19.570 -4.032 1.00 1.00 O ATOM 993 CB SER A 63 132.618 19.454 -7.294 1.00 1.00 C ATOM 994 OG SER A 63 132.810 20.860 -7.211 1.00 1.00 O ATOM 0 H SER A 63 131.710 17.422 -6.168 1.00 1.00 H new ATOM 0 HA SER A 63 134.354 18.571 -6.394 1.00 1.00 H new ATOM 0 HB2 SER A 63 133.016 19.077 -8.236 1.00 1.00 H new ATOM 0 HB3 SER A 63 131.553 19.220 -7.281 1.00 1.00 H new ATOM 0 HG SER A 63 132.814 21.243 -8.113 1.00 1.00 H new ATOM 1000 N SER A 64 134.323 20.550 -4.793 1.00 1.00 N ATOM 1001 CA SER A 64 134.459 21.425 -3.629 1.00 1.00 C ATOM 1002 C SER A 64 133.265 22.356 -3.414 1.00 1.00 C ATOM 1003 O SER A 64 132.830 22.542 -2.278 1.00 1.00 O ATOM 1004 CB SER A 64 135.730 22.265 -3.766 1.00 1.00 C ATOM 1005 OG SER A 64 136.869 21.412 -3.710 1.00 1.00 O ATOM 0 H SER A 64 135.053 20.665 -5.496 1.00 1.00 H new ATOM 0 HA SER A 64 134.509 20.771 -2.758 1.00 1.00 H new ATOM 0 HB2 SER A 64 135.718 22.812 -4.709 1.00 1.00 H new ATOM 0 HB3 SER A 64 135.777 23.006 -2.968 1.00 1.00 H new ATOM 0 HG SER A 64 137.684 21.949 -3.799 1.00 1.00 H new ATOM 1011 N GLU A 65 132.759 22.975 -4.475 1.00 1.00 N ATOM 1012 CA GLU A 65 131.649 23.914 -4.330 1.00 1.00 C ATOM 1013 C GLU A 65 130.377 23.250 -3.806 1.00 1.00 C ATOM 1014 O GLU A 65 129.706 23.802 -2.935 1.00 1.00 O ATOM 1015 CB GLU A 65 131.346 24.572 -5.680 1.00 1.00 C ATOM 1016 CG GLU A 65 132.524 25.449 -6.112 1.00 1.00 C ATOM 1017 CD GLU A 65 132.665 26.653 -5.181 1.00 1.00 C ATOM 1018 OE1 GLU A 65 131.767 26.877 -4.386 1.00 1.00 O ATOM 1019 OE2 GLU A 65 133.663 27.345 -5.291 1.00 1.00 O ATOM 0 H GLU A 65 133.092 22.848 -5.431 1.00 1.00 H new ATOM 0 HA GLU A 65 131.960 24.659 -3.597 1.00 1.00 H new ATOM 0 HB2 GLU A 65 131.157 23.806 -6.433 1.00 1.00 H new ATOM 0 HB3 GLU A 65 130.441 25.175 -5.605 1.00 1.00 H new ATOM 0 HG2 GLU A 65 133.444 24.864 -6.101 1.00 1.00 H new ATOM 0 HG3 GLU A 65 132.375 25.790 -7.137 1.00 1.00 H new ATOM 1026 N PHE A 66 130.043 22.077 -4.324 1.00 1.00 N ATOM 1027 CA PHE A 66 128.840 21.386 -3.871 1.00 1.00 C ATOM 1028 C PHE A 66 129.007 20.897 -2.437 1.00 1.00 C ATOM 1029 O PHE A 66 128.078 20.972 -1.633 1.00 1.00 O ATOM 1030 CB PHE A 66 128.523 20.199 -4.773 1.00 1.00 C ATOM 1031 CG PHE A 66 127.109 19.745 -4.502 1.00 1.00 C ATOM 1032 CD1 PHE A 66 126.034 20.484 -5.012 1.00 1.00 C ATOM 1033 CD2 PHE A 66 126.867 18.597 -3.741 1.00 1.00 C ATOM 1034 CE1 PHE A 66 124.721 20.076 -4.764 1.00 1.00 C ATOM 1035 CE2 PHE A 66 125.550 18.189 -3.495 1.00 1.00 C ATOM 1036 CZ PHE A 66 124.477 18.928 -4.004 1.00 1.00 C ATOM 0 H PHE A 66 130.575 21.589 -5.045 1.00 1.00 H new ATOM 0 HA PHE A 66 128.015 22.097 -3.915 1.00 1.00 H new ATOM 0 HB2 PHE A 66 128.635 20.480 -5.820 1.00 1.00 H new ATOM 0 HB3 PHE A 66 129.223 19.385 -4.585 1.00 1.00 H new ATOM 0 HD1 PHE A 66 126.221 21.371 -5.598 1.00 1.00 H new ATOM 0 HD2 PHE A 66 127.694 18.026 -3.344 1.00 1.00 H new ATOM 0 HE1 PHE A 66 123.894 20.647 -5.159 1.00 1.00 H new ATOM 0 HE2 PHE A 66 125.362 17.301 -2.910 1.00 1.00 H new ATOM 0 HZ PHE A 66 123.462 18.613 -3.810 1.00 1.00 H new ATOM 1046 N LYS A 67 130.191 20.376 -2.124 1.00 1.00 N ATOM 1047 CA LYS A 67 130.462 19.856 -0.796 1.00 1.00 C ATOM 1048 C LYS A 67 130.319 20.948 0.234 1.00 1.00 C ATOM 1049 O LYS A 67 129.719 20.742 1.287 1.00 1.00 O ATOM 1050 CB LYS A 67 131.878 19.293 -0.751 1.00 1.00 C ATOM 1051 CG LYS A 67 131.917 17.980 -1.537 1.00 1.00 C ATOM 1052 CD LYS A 67 133.369 17.528 -1.736 1.00 1.00 C ATOM 1053 CE LYS A 67 133.913 16.931 -0.441 1.00 1.00 C ATOM 1054 NZ LYS A 67 135.245 16.319 -0.703 1.00 1.00 N ATOM 0 H LYS A 67 130.974 20.305 -2.774 1.00 1.00 H new ATOM 0 HA LYS A 67 129.745 19.066 -0.572 1.00 1.00 H new ATOM 0 HB2 LYS A 67 132.581 20.008 -1.177 1.00 1.00 H new ATOM 0 HB3 LYS A 67 132.183 19.123 0.282 1.00 1.00 H new ATOM 0 HG2 LYS A 67 131.358 17.211 -1.003 1.00 1.00 H new ATOM 0 HG3 LYS A 67 131.433 18.112 -2.505 1.00 1.00 H new ATOM 0 HD2 LYS A 67 133.422 16.790 -2.537 1.00 1.00 H new ATOM 0 HD3 LYS A 67 133.983 18.375 -2.042 1.00 1.00 H new ATOM 0 HE2 LYS A 67 133.999 17.705 0.322 1.00 1.00 H new ATOM 0 HE3 LYS A 67 133.224 16.179 -0.056 1.00 1.00 H new ATOM 0 HZ1 LYS A 67 135.619 15.911 0.178 1.00 1.00 H new ATOM 0 HZ2 LYS A 67 135.148 15.570 -1.418 1.00 1.00 H new ATOM 0 HZ3 LYS A 67 135.899 17.048 -1.052 1.00 1.00 H new ATOM 1068 N HIS A 68 130.877 22.108 -0.063 1.00 1.00 N ATOM 1069 CA HIS A 68 130.799 23.198 0.870 1.00 1.00 C ATOM 1070 C HIS A 68 129.367 23.660 1.003 1.00 1.00 C ATOM 1071 O HIS A 68 128.876 23.887 2.109 1.00 1.00 O ATOM 1072 CB HIS A 68 131.673 24.364 0.413 1.00 1.00 C ATOM 1073 CG HIS A 68 131.563 25.471 1.422 1.00 1.00 C ATOM 1074 ND1 HIS A 68 132.445 25.594 2.483 1.00 1.00 N ATOM 1075 CD2 HIS A 68 130.664 26.499 1.560 1.00 1.00 C ATOM 1076 CE1 HIS A 68 132.061 26.660 3.208 1.00 1.00 C ATOM 1077 NE2 HIS A 68 130.980 27.248 2.690 1.00 1.00 N ATOM 0 H HIS A 68 131.378 22.310 -0.928 1.00 1.00 H new ATOM 0 HA HIS A 68 131.160 22.849 1.837 1.00 1.00 H new ATOM 0 HB2 HIS A 68 132.710 24.043 0.315 1.00 1.00 H new ATOM 0 HB3 HIS A 68 131.354 24.714 -0.569 1.00 1.00 H new ATOM 0 HD2 HIS A 68 129.837 26.697 0.893 1.00 1.00 H new ATOM 0 HE1 HIS A 68 132.566 26.999 4.101 1.00 1.00 H new ATOM 0 HE2 HIS A 68 130.491 28.069 3.046 1.00 1.00 H new ATOM 1085 N PHE A 69 128.691 23.794 -0.130 1.00 1.00 N ATOM 1086 CA PHE A 69 127.318 24.227 -0.136 1.00 1.00 C ATOM 1087 C PHE A 69 126.440 23.232 0.611 1.00 1.00 C ATOM 1088 O PHE A 69 125.617 23.622 1.437 1.00 1.00 O ATOM 1089 CB PHE A 69 126.855 24.393 -1.581 1.00 1.00 C ATOM 1090 CG PHE A 69 125.390 24.738 -1.618 1.00 1.00 C ATOM 1091 CD1 PHE A 69 124.951 25.997 -1.190 1.00 1.00 C ATOM 1092 CD2 PHE A 69 124.469 23.796 -2.090 1.00 1.00 C ATOM 1093 CE1 PHE A 69 123.589 26.311 -1.235 1.00 1.00 C ATOM 1094 CE2 PHE A 69 123.111 24.113 -2.137 1.00 1.00 C ATOM 1095 CZ PHE A 69 122.669 25.367 -1.710 1.00 1.00 C ATOM 0 H PHE A 69 129.080 23.606 -1.054 1.00 1.00 H new ATOM 0 HA PHE A 69 127.234 25.185 0.376 1.00 1.00 H new ATOM 0 HB2 PHE A 69 127.434 25.177 -2.069 1.00 1.00 H new ATOM 0 HB3 PHE A 69 127.034 23.472 -2.137 1.00 1.00 H new ATOM 0 HD1 PHE A 69 125.662 26.724 -0.826 1.00 1.00 H new ATOM 0 HD2 PHE A 69 124.809 22.825 -2.418 1.00 1.00 H new ATOM 0 HE1 PHE A 69 123.247 27.280 -0.904 1.00 1.00 H new ATOM 0 HE2 PHE A 69 122.400 23.387 -2.504 1.00 1.00 H new ATOM 0 HZ PHE A 69 121.617 25.609 -1.746 1.00 1.00 H new ATOM 1105 N ALA A 70 126.589 21.948 0.282 1.00 1.00 N ATOM 1106 CA ALA A 70 125.780 20.904 0.883 1.00 1.00 C ATOM 1107 C ALA A 70 126.072 20.711 2.367 1.00 1.00 C ATOM 1108 O ALA A 70 125.161 20.442 3.149 1.00 1.00 O ATOM 1109 CB ALA A 70 125.999 19.577 0.151 1.00 1.00 C ATOM 0 H ALA A 70 127.268 21.612 -0.401 1.00 1.00 H new ATOM 0 HA ALA A 70 124.742 21.223 0.789 1.00 1.00 H new ATOM 0 HB1 ALA A 70 125.386 18.802 0.612 1.00 1.00 H new ATOM 0 HB2 ALA A 70 125.717 19.688 -0.896 1.00 1.00 H new ATOM 0 HB3 ALA A 70 127.050 19.295 0.216 1.00 1.00 H new ATOM 1115 N GLY A 71 127.332 20.843 2.758 1.00 1.00 N ATOM 1116 CA GLY A 71 127.684 20.669 4.153 1.00 1.00 C ATOM 1117 C GLY A 71 127.031 21.753 4.983 1.00 1.00 C ATOM 1118 O GLY A 71 126.619 21.526 6.121 1.00 1.00 O ATOM 0 H GLY A 71 128.112 21.066 2.139 1.00 1.00 H new ATOM 0 HA2 GLY A 71 127.361 19.688 4.500 1.00 1.00 H new ATOM 0 HA3 GLY A 71 128.767 20.709 4.273 1.00 1.00 H new ATOM 1122 N VAL A 72 126.966 22.942 4.409 1.00 1.00 N ATOM 1123 CA VAL A 72 126.401 24.088 5.077 1.00 1.00 C ATOM 1124 C VAL A 72 124.880 24.168 4.950 1.00 1.00 C ATOM 1125 O VAL A 72 124.205 24.522 5.917 1.00 1.00 O ATOM 1126 CB VAL A 72 127.028 25.343 4.479 1.00 1.00 C ATOM 1127 CG1 VAL A 72 126.142 26.547 4.763 1.00 1.00 C ATOM 1128 CG2 VAL A 72 128.409 25.561 5.100 1.00 1.00 C ATOM 0 H VAL A 72 127.305 23.134 3.466 1.00 1.00 H new ATOM 0 HA VAL A 72 126.619 23.997 6.141 1.00 1.00 H new ATOM 0 HB VAL A 72 127.127 25.222 3.400 1.00 1.00 H new ATOM 0 HG11 VAL A 72 126.594 27.441 4.334 1.00 1.00 H new ATOM 0 HG12 VAL A 72 125.159 26.388 4.319 1.00 1.00 H new ATOM 0 HG13 VAL A 72 126.037 26.675 5.840 1.00 1.00 H new ATOM 0 HG21 VAL A 72 128.861 26.457 4.676 1.00 1.00 H new ATOM 0 HG22 VAL A 72 128.308 25.681 6.179 1.00 1.00 H new ATOM 0 HG23 VAL A 72 129.043 24.700 4.889 1.00 1.00 H new ATOM 1138 N HIS A 73 124.348 23.955 3.745 1.00 1.00 N ATOM 1139 CA HIS A 73 122.916 24.137 3.515 1.00 1.00 C ATOM 1140 C HIS A 73 122.078 22.876 3.307 1.00 1.00 C ATOM 1141 O HIS A 73 120.866 23.020 3.158 1.00 1.00 O ATOM 1142 CB HIS A 73 122.732 25.041 2.299 1.00 1.00 C ATOM 1143 CG HIS A 73 123.076 26.452 2.678 1.00 1.00 C ATOM 1144 ND1 HIS A 73 124.028 27.194 1.998 1.00 1.00 N ATOM 1145 CD2 HIS A 73 122.604 27.267 3.675 1.00 1.00 C ATOM 1146 CE1 HIS A 73 124.098 28.401 2.590 1.00 1.00 C ATOM 1147 NE2 HIS A 73 123.249 28.497 3.618 1.00 1.00 N ATOM 0 H HIS A 73 124.879 23.661 2.925 1.00 1.00 H new ATOM 0 HA HIS A 73 122.543 24.566 4.445 1.00 1.00 H new ATOM 0 HB2 HIS A 73 123.370 24.705 1.481 1.00 1.00 H new ATOM 0 HB3 HIS A 73 121.703 24.988 1.943 1.00 1.00 H new ATOM 0 HD1 HIS A 73 124.576 26.883 1.196 1.00 1.00 H new ATOM 0 HD2 HIS A 73 121.846 26.995 4.395 1.00 1.00 H new ATOM 0 HE1 HIS A 73 124.759 29.194 2.273 1.00 1.00 H new ATOM 1155 N LEU A 74 122.650 21.666 3.234 1.00 1.00 N ATOM 1156 CA LEU A 74 121.776 20.512 2.959 1.00 1.00 C ATOM 1157 C LEU A 74 122.076 19.236 3.731 1.00 1.00 C ATOM 1158 O LEU A 74 123.159 19.054 4.284 1.00 1.00 O ATOM 1159 CB LEU A 74 121.822 20.174 1.468 1.00 1.00 C ATOM 1160 CG LEU A 74 121.137 21.265 0.638 1.00 1.00 C ATOM 1161 CD1 LEU A 74 122.169 22.249 0.092 1.00 1.00 C ATOM 1162 CD2 LEU A 74 120.411 20.598 -0.521 1.00 1.00 C ATOM 0 H LEU A 74 123.643 21.464 3.352 1.00 1.00 H new ATOM 0 HA LEU A 74 120.793 20.843 3.295 1.00 1.00 H new ATOM 0 HB2 LEU A 74 122.858 20.065 1.148 1.00 1.00 H new ATOM 0 HB3 LEU A 74 121.331 19.216 1.293 1.00 1.00 H new ATOM 0 HG LEU A 74 120.435 21.815 1.266 1.00 1.00 H new ATOM 0 HD11 LEU A 74 121.665 23.017 -0.495 1.00 1.00 H new ATOM 0 HD12 LEU A 74 122.700 22.716 0.921 1.00 1.00 H new ATOM 0 HD13 LEU A 74 122.880 21.717 -0.541 1.00 1.00 H new ATOM 0 HD21 LEU A 74 119.916 21.358 -1.126 1.00 1.00 H new ATOM 0 HD22 LEU A 74 121.129 20.056 -1.136 1.00 1.00 H new ATOM 0 HD23 LEU A 74 119.668 19.902 -0.132 1.00 1.00 H new ATOM 1174 N HIS A 75 121.115 18.316 3.662 1.00 1.00 N ATOM 1175 CA HIS A 75 121.255 16.992 4.240 1.00 1.00 C ATOM 1176 C HIS A 75 121.284 16.037 3.059 1.00 1.00 C ATOM 1177 O HIS A 75 120.376 16.065 2.226 1.00 1.00 O ATOM 1178 CB HIS A 75 120.076 16.664 5.158 1.00 1.00 C ATOM 1179 CG HIS A 75 120.125 17.549 6.371 1.00 1.00 C ATOM 1180 ND1 HIS A 75 121.253 17.644 7.172 1.00 1.00 N ATOM 1181 CD2 HIS A 75 119.191 18.378 6.939 1.00 1.00 C ATOM 1182 CE1 HIS A 75 120.972 18.502 8.168 1.00 1.00 C ATOM 1183 NE2 HIS A 75 119.727 18.979 8.073 1.00 1.00 N ATOM 0 H HIS A 75 120.218 18.474 3.202 1.00 1.00 H new ATOM 0 HA HIS A 75 122.155 16.919 4.851 1.00 1.00 H new ATOM 0 HB2 HIS A 75 119.136 16.809 4.626 1.00 1.00 H new ATOM 0 HB3 HIS A 75 120.114 15.617 5.457 1.00 1.00 H new ATOM 0 HD2 HIS A 75 118.192 18.539 6.563 1.00 1.00 H new ATOM 0 HE1 HIS A 75 121.667 18.773 8.949 1.00 1.00 H new ATOM 0 HE2 HIS A 75 119.268 19.642 8.698 1.00 1.00 H new ATOM 1191 N MET A 76 122.331 15.232 2.948 1.00 1.00 N ATOM 1192 CA MET A 76 122.450 14.329 1.809 1.00 1.00 C ATOM 1193 C MET A 76 122.102 12.895 2.170 1.00 1.00 C ATOM 1194 O MET A 76 122.532 12.378 3.201 1.00 1.00 O ATOM 1195 CB MET A 76 123.876 14.389 1.272 1.00 1.00 C ATOM 1196 CG MET A 76 124.204 15.833 0.888 1.00 1.00 C ATOM 1197 SD MET A 76 125.069 15.853 -0.698 1.00 1.00 S ATOM 1198 CE MET A 76 123.599 15.748 -1.751 1.00 1.00 C ATOM 0 H MET A 76 123.098 15.184 3.618 1.00 1.00 H new ATOM 0 HA MET A 76 121.739 14.654 1.050 1.00 1.00 H new ATOM 0 HB2 MET A 76 124.577 14.031 2.026 1.00 1.00 H new ATOM 0 HB3 MET A 76 123.980 13.736 0.405 1.00 1.00 H new ATOM 0 HG2 MET A 76 123.288 16.420 0.822 1.00 1.00 H new ATOM 0 HG3 MET A 76 124.823 16.294 1.658 1.00 1.00 H new ATOM 0 HE1 MET A 76 123.799 15.082 -2.590 1.00 1.00 H new ATOM 0 HE2 MET A 76 122.763 15.359 -1.170 1.00 1.00 H new ATOM 0 HE3 MET A 76 123.349 16.740 -2.127 1.00 1.00 H new ATOM 1208 N VAL A 77 121.339 12.249 1.289 1.00 1.00 N ATOM 1209 CA VAL A 77 120.953 10.866 1.488 1.00 1.00 C ATOM 1210 C VAL A 77 121.337 10.072 0.250 1.00 1.00 C ATOM 1211 O VAL A 77 121.043 10.475 -0.875 1.00 1.00 O ATOM 1212 CB VAL A 77 119.445 10.767 1.722 1.00 1.00 C ATOM 1213 CG1 VAL A 77 119.052 9.303 1.939 1.00 1.00 C ATOM 1214 CG2 VAL A 77 119.066 11.575 2.966 1.00 1.00 C ATOM 0 H VAL A 77 120.979 12.668 0.432 1.00 1.00 H new ATOM 0 HA VAL A 77 121.465 10.464 2.363 1.00 1.00 H new ATOM 0 HB VAL A 77 118.921 11.162 0.851 1.00 1.00 H new ATOM 0 HG11 VAL A 77 117.977 9.236 2.105 1.00 1.00 H new ATOM 0 HG12 VAL A 77 119.320 8.720 1.058 1.00 1.00 H new ATOM 0 HG13 VAL A 77 119.579 8.910 2.808 1.00 1.00 H new ATOM 0 HG21 VAL A 77 117.991 11.504 3.132 1.00 1.00 H new ATOM 0 HG22 VAL A 77 119.594 11.178 3.833 1.00 1.00 H new ATOM 0 HG23 VAL A 77 119.342 12.619 2.820 1.00 1.00 H new ATOM 1224 N GLU A 78 122.007 8.951 0.466 1.00 1.00 N ATOM 1225 CA GLU A 78 122.447 8.114 -0.637 1.00 1.00 C ATOM 1226 C GLU A 78 121.470 6.965 -0.855 1.00 1.00 C ATOM 1227 O GLU A 78 121.152 6.219 0.072 1.00 1.00 O ATOM 1228 CB GLU A 78 123.844 7.573 -0.332 1.00 1.00 C ATOM 1229 CG GLU A 78 124.370 6.786 -1.529 1.00 1.00 C ATOM 1230 CD GLU A 78 125.785 6.294 -1.241 1.00 1.00 C ATOM 1231 OE1 GLU A 78 126.193 6.360 -0.092 1.00 1.00 O ATOM 1232 OE2 GLU A 78 126.440 5.859 -2.172 1.00 1.00 O ATOM 0 H GLU A 78 122.257 8.601 1.391 1.00 1.00 H new ATOM 0 HA GLU A 78 122.481 8.709 -1.550 1.00 1.00 H new ATOM 0 HB2 GLU A 78 124.520 8.397 -0.102 1.00 1.00 H new ATOM 0 HB3 GLU A 78 123.811 6.932 0.549 1.00 1.00 H new ATOM 0 HG2 GLU A 78 123.715 5.939 -1.735 1.00 1.00 H new ATOM 0 HG3 GLU A 78 124.368 7.415 -2.419 1.00 1.00 H new ATOM 1239 N VAL A 79 120.997 6.833 -2.092 1.00 1.00 N ATOM 1240 CA VAL A 79 120.056 5.777 -2.436 1.00 1.00 C ATOM 1241 C VAL A 79 120.519 5.084 -3.714 1.00 1.00 C ATOM 1242 O VAL A 79 120.363 5.614 -4.811 1.00 1.00 O ATOM 1243 CB VAL A 79 118.663 6.381 -2.659 1.00 1.00 C ATOM 1244 CG1 VAL A 79 117.582 5.347 -2.339 1.00 1.00 C ATOM 1245 CG2 VAL A 79 118.480 7.615 -1.766 1.00 1.00 C ATOM 0 H VAL A 79 121.251 7.443 -2.869 1.00 1.00 H new ATOM 0 HA VAL A 79 120.010 5.053 -1.623 1.00 1.00 H new ATOM 0 HB VAL A 79 118.572 6.677 -3.704 1.00 1.00 H new ATOM 0 HG11 VAL A 79 116.598 5.787 -2.501 1.00 1.00 H new ATOM 0 HG12 VAL A 79 117.703 4.481 -2.989 1.00 1.00 H new ATOM 0 HG13 VAL A 79 117.673 5.035 -1.298 1.00 1.00 H new ATOM 0 HG21 VAL A 79 117.489 8.039 -1.929 1.00 1.00 H new ATOM 0 HG22 VAL A 79 118.583 7.326 -0.720 1.00 1.00 H new ATOM 0 HG23 VAL A 79 119.238 8.359 -2.013 1.00 1.00 H new ATOM 1255 N ASP A 80 121.191 3.948 -3.541 1.00 1.00 N ATOM 1256 CA ASP A 80 121.792 3.257 -4.682 1.00 1.00 C ATOM 1257 C ASP A 80 121.115 1.955 -5.099 1.00 1.00 C ATOM 1258 O ASP A 80 120.590 1.226 -4.259 1.00 1.00 O ATOM 1259 CB ASP A 80 123.261 2.962 -4.374 1.00 1.00 C ATOM 1260 CG ASP A 80 124.072 4.257 -4.364 1.00 1.00 C ATOM 1261 OD1 ASP A 80 123.570 5.252 -4.859 1.00 1.00 O ATOM 1262 OD2 ASP A 80 125.185 4.232 -3.863 1.00 1.00 O ATOM 0 H ASP A 80 121.332 3.492 -2.640 1.00 1.00 H new ATOM 0 HA ASP A 80 121.666 3.939 -5.523 1.00 1.00 H new ATOM 0 HB2 ASP A 80 123.344 2.466 -3.407 1.00 1.00 H new ATOM 0 HB3 ASP A 80 123.665 2.278 -5.120 1.00 1.00 H new ATOM 1267 N PHE A 81 121.182 1.641 -6.390 1.00 1.00 N ATOM 1268 CA PHE A 81 120.627 0.390 -6.895 1.00 1.00 C ATOM 1269 C PHE A 81 121.727 -0.342 -7.667 1.00 1.00 C ATOM 1270 O PHE A 81 121.744 -0.334 -8.898 1.00 1.00 O ATOM 1271 CB PHE A 81 119.433 0.664 -7.818 1.00 1.00 C ATOM 1272 CG PHE A 81 118.220 1.027 -6.988 1.00 1.00 C ATOM 1273 CD1 PHE A 81 118.119 2.301 -6.418 1.00 1.00 C ATOM 1274 CD2 PHE A 81 117.196 0.089 -6.790 1.00 1.00 C ATOM 1275 CE1 PHE A 81 116.997 2.640 -5.650 1.00 1.00 C ATOM 1276 CE2 PHE A 81 116.074 0.429 -6.023 1.00 1.00 C ATOM 1277 CZ PHE A 81 115.974 1.704 -5.453 1.00 1.00 C ATOM 0 H PHE A 81 121.612 2.232 -7.101 1.00 1.00 H new ATOM 0 HA PHE A 81 120.276 -0.221 -6.063 1.00 1.00 H new ATOM 0 HB2 PHE A 81 119.671 1.475 -8.506 1.00 1.00 H new ATOM 0 HB3 PHE A 81 119.220 -0.216 -8.425 1.00 1.00 H new ATOM 0 HD1 PHE A 81 118.907 3.024 -6.570 1.00 1.00 H new ATOM 0 HD2 PHE A 81 117.272 -0.895 -7.229 1.00 1.00 H new ATOM 0 HE1 PHE A 81 116.921 3.623 -5.210 1.00 1.00 H new ATOM 0 HE2 PHE A 81 115.285 -0.293 -5.871 1.00 1.00 H new ATOM 0 HZ PHE A 81 115.109 1.965 -4.862 1.00 1.00 H new ATOM 1287 N PRO A 82 122.666 -0.939 -6.965 1.00 1.00 N ATOM 1288 CA PRO A 82 123.818 -1.650 -7.592 1.00 1.00 C ATOM 1289 C PRO A 82 123.456 -3.011 -8.186 1.00 1.00 C ATOM 1290 O PRO A 82 122.441 -3.605 -7.822 1.00 1.00 O ATOM 1291 CB PRO A 82 124.827 -1.777 -6.450 1.00 1.00 C ATOM 1292 CG PRO A 82 124.019 -1.779 -5.197 1.00 1.00 C ATOM 1293 CD PRO A 82 122.728 -1.009 -5.492 1.00 1.00 C ATOM 0 HA PRO A 82 124.203 -1.101 -8.451 1.00 1.00 H new ATOM 0 HB2 PRO A 82 125.409 -2.694 -6.542 1.00 1.00 H new ATOM 0 HB3 PRO A 82 125.535 -0.948 -6.458 1.00 1.00 H new ATOM 0 HG2 PRO A 82 123.796 -2.799 -4.884 1.00 1.00 H new ATOM 0 HG3 PRO A 82 124.570 -1.309 -4.383 1.00 1.00 H new ATOM 0 HD2 PRO A 82 121.858 -1.522 -5.082 1.00 1.00 H new ATOM 0 HD3 PRO A 82 122.750 -0.014 -5.048 1.00 1.00 H new ATOM 1301 N GLN A 83 124.312 -3.515 -9.072 1.00 1.00 N ATOM 1302 CA GLN A 83 124.072 -4.830 -9.669 1.00 1.00 C ATOM 1303 C GLN A 83 124.310 -5.913 -8.627 1.00 1.00 C ATOM 1304 O GLN A 83 123.529 -6.856 -8.498 1.00 1.00 O ATOM 1305 CB GLN A 83 125.028 -5.086 -10.839 1.00 1.00 C ATOM 1306 CG GLN A 83 124.730 -4.140 -12.000 1.00 1.00 C ATOM 1307 CD GLN A 83 125.683 -4.437 -13.154 1.00 1.00 C ATOM 1308 OE1 GLN A 83 126.901 -4.337 -12.998 1.00 1.00 O ATOM 1309 NE2 GLN A 83 125.198 -4.793 -14.311 1.00 1.00 N ATOM 0 H GLN A 83 125.161 -3.046 -9.388 1.00 1.00 H new ATOM 0 HA GLN A 83 123.043 -4.851 -10.028 1.00 1.00 H new ATOM 0 HB2 GLN A 83 126.058 -4.951 -10.509 1.00 1.00 H new ATOM 0 HB3 GLN A 83 124.933 -6.119 -11.173 1.00 1.00 H new ATOM 0 HG2 GLN A 83 123.697 -4.262 -12.326 1.00 1.00 H new ATOM 0 HG3 GLN A 83 124.843 -3.105 -11.678 1.00 1.00 H new ATOM 0 HE21 GLN A 83 124.189 -4.875 -14.438 1.00 1.00 H new ATOM 0 HE22 GLN A 83 125.827 -4.989 -15.089 1.00 1.00 H new ATOM 1318 N LYS A 84 125.365 -5.734 -7.854 1.00 1.00 N ATOM 1319 CA LYS A 84 125.688 -6.652 -6.783 1.00 1.00 C ATOM 1320 C LYS A 84 125.171 -6.037 -5.500 1.00 1.00 C ATOM 1321 O LYS A 84 125.756 -5.110 -4.937 1.00 1.00 O ATOM 1322 CB LYS A 84 127.193 -6.856 -6.697 1.00 1.00 C ATOM 1323 CG LYS A 84 127.503 -7.944 -5.667 1.00 1.00 C ATOM 1324 CD LYS A 84 129.009 -8.181 -5.636 1.00 1.00 C ATOM 1325 CE LYS A 84 129.342 -9.280 -4.623 1.00 1.00 C ATOM 1326 NZ LYS A 84 130.812 -9.527 -4.626 1.00 1.00 N ATOM 0 H LYS A 84 126.016 -4.955 -7.951 1.00 1.00 H new ATOM 0 HA LYS A 84 125.232 -7.626 -6.959 1.00 1.00 H new ATOM 0 HB2 LYS A 84 127.588 -7.140 -7.672 1.00 1.00 H new ATOM 0 HB3 LYS A 84 127.681 -5.923 -6.415 1.00 1.00 H new ATOM 0 HG2 LYS A 84 127.149 -7.642 -4.681 1.00 1.00 H new ATOM 0 HG3 LYS A 84 126.982 -8.866 -5.924 1.00 1.00 H new ATOM 0 HD2 LYS A 84 129.361 -8.468 -6.627 1.00 1.00 H new ATOM 0 HD3 LYS A 84 129.526 -7.259 -5.369 1.00 1.00 H new ATOM 0 HE2 LYS A 84 129.014 -8.983 -3.627 1.00 1.00 H new ATOM 0 HE3 LYS A 84 128.808 -10.196 -4.875 1.00 1.00 H new ATOM 0 HZ1 LYS A 84 131.040 -10.273 -3.938 1.00 1.00 H new ATOM 0 HZ2 LYS A 84 131.112 -9.828 -5.575 1.00 1.00 H new ATOM 0 HZ3 LYS A 84 131.311 -8.653 -4.366 1.00 1.00 H new ATOM 1340 N ASN A 85 124.032 -6.552 -5.092 1.00 1.00 N ATOM 1341 CA ASN A 85 123.344 -6.059 -3.903 1.00 1.00 C ATOM 1342 C ASN A 85 123.755 -6.781 -2.626 1.00 1.00 C ATOM 1343 O ASN A 85 123.766 -8.010 -2.535 1.00 1.00 O ATOM 1344 CB ASN A 85 121.831 -6.197 -4.071 1.00 1.00 C ATOM 1345 CG ASN A 85 121.318 -5.191 -5.095 1.00 1.00 C ATOM 1346 OD1 ASN A 85 122.045 -4.278 -5.488 1.00 1.00 O ATOM 1347 ND2 ASN A 85 120.095 -5.294 -5.540 1.00 1.00 N ATOM 0 H ASN A 85 123.554 -7.318 -5.566 1.00 1.00 H new ATOM 0 HA ASN A 85 123.632 -5.013 -3.803 1.00 1.00 H new ATOM 0 HB2 ASN A 85 121.585 -7.209 -4.391 1.00 1.00 H new ATOM 0 HB3 ASN A 85 121.336 -6.036 -3.113 1.00 1.00 H new ATOM 0 HD21 ASN A 85 119.739 -4.617 -6.215 1.00 1.00 H new ATOM 0 HD22 ASN A 85 119.495 -6.051 -5.213 1.00 1.00 H new ATOM 1354 N HIS A 86 124.092 -5.952 -1.652 1.00 1.00 N ATOM 1355 CA HIS A 86 124.511 -6.464 -0.356 1.00 1.00 C ATOM 1356 C HIS A 86 123.880 -5.660 0.775 1.00 1.00 C ATOM 1357 O HIS A 86 124.320 -5.740 1.921 1.00 1.00 O ATOM 1358 CB HIS A 86 126.035 -6.431 -0.257 1.00 1.00 C ATOM 1359 CG HIS A 86 126.585 -7.735 -0.773 1.00 1.00 C ATOM 1360 ND1 HIS A 86 126.228 -8.249 -2.010 1.00 1.00 N ATOM 1361 CD2 HIS A 86 127.460 -8.645 -0.229 1.00 1.00 C ATOM 1362 CE1 HIS A 86 126.877 -9.417 -2.170 1.00 1.00 C ATOM 1363 NE2 HIS A 86 127.642 -9.706 -1.113 1.00 1.00 N ATOM 0 H HIS A 86 124.085 -4.935 -1.730 1.00 1.00 H new ATOM 0 HA HIS A 86 124.172 -7.496 -0.260 1.00 1.00 H new ATOM 0 HB2 HIS A 86 126.433 -5.598 -0.837 1.00 1.00 H new ATOM 0 HB3 HIS A 86 126.342 -6.275 0.777 1.00 1.00 H new ATOM 0 HD2 HIS A 86 127.934 -8.552 0.737 1.00 1.00 H new ATOM 0 HE1 HIS A 86 126.790 -10.044 -3.045 1.00 1.00 H new ATOM 0 HE2 HIS A 86 128.232 -10.527 -0.982 1.00 1.00 H new ATOM 1371 N GLN A 87 122.838 -4.902 0.454 1.00 1.00 N ATOM 1372 CA GLN A 87 122.139 -4.108 1.457 1.00 1.00 C ATOM 1373 C GLN A 87 121.139 -4.993 2.210 1.00 1.00 C ATOM 1374 O GLN A 87 120.607 -5.944 1.641 1.00 1.00 O ATOM 1375 CB GLN A 87 121.378 -2.964 0.777 1.00 1.00 C ATOM 1376 CG GLN A 87 122.359 -1.909 0.271 1.00 1.00 C ATOM 1377 CD GLN A 87 121.642 -0.964 -0.686 1.00 1.00 C ATOM 1378 OE1 GLN A 87 120.467 -1.167 -0.996 1.00 1.00 O ATOM 1379 NE2 GLN A 87 122.279 0.062 -1.176 1.00 1.00 N ATOM 0 H GLN A 87 122.460 -4.821 -0.490 1.00 1.00 H new ATOM 0 HA GLN A 87 122.869 -3.698 2.155 1.00 1.00 H new ATOM 0 HB2 GLN A 87 120.789 -3.352 -0.054 1.00 1.00 H new ATOM 0 HB3 GLN A 87 120.678 -2.513 1.481 1.00 1.00 H new ATOM 0 HG2 GLN A 87 122.772 -1.349 1.110 1.00 1.00 H new ATOM 0 HG3 GLN A 87 123.197 -2.389 -0.235 1.00 1.00 H new ATOM 0 HE21 GLN A 87 123.252 0.229 -0.918 1.00 1.00 H new ATOM 0 HE22 GLN A 87 121.805 0.698 -1.817 1.00 1.00 H new ATOM 1388 N PRO A 88 120.863 -4.707 3.461 1.00 1.00 N ATOM 1389 CA PRO A 88 119.888 -5.510 4.260 1.00 1.00 C ATOM 1390 C PRO A 88 118.462 -5.369 3.734 1.00 1.00 C ATOM 1391 O PRO A 88 118.128 -4.382 3.076 1.00 1.00 O ATOM 1392 CB PRO A 88 120.012 -4.943 5.675 1.00 1.00 C ATOM 1393 CG PRO A 88 120.561 -3.570 5.506 1.00 1.00 C ATOM 1394 CD PRO A 88 121.433 -3.603 4.252 1.00 1.00 C ATOM 0 HA PRO A 88 120.102 -6.578 4.211 1.00 1.00 H new ATOM 0 HB2 PRO A 88 119.044 -4.920 6.175 1.00 1.00 H new ATOM 0 HB3 PRO A 88 120.672 -5.557 6.288 1.00 1.00 H new ATOM 0 HG2 PRO A 88 119.757 -2.841 5.401 1.00 1.00 H new ATOM 0 HG3 PRO A 88 121.146 -3.276 6.378 1.00 1.00 H new ATOM 0 HD2 PRO A 88 121.391 -2.658 3.710 1.00 1.00 H new ATOM 0 HD3 PRO A 88 122.480 -3.784 4.496 1.00 1.00 H new ATOM 1402 N GLU A 89 117.633 -6.376 3.994 1.00 1.00 N ATOM 1403 CA GLU A 89 116.255 -6.373 3.515 1.00 1.00 C ATOM 1404 C GLU A 89 115.532 -5.075 3.867 1.00 1.00 C ATOM 1405 O GLU A 89 114.871 -4.491 3.017 1.00 1.00 O ATOM 1406 CB GLU A 89 115.486 -7.539 4.139 1.00 1.00 C ATOM 1407 CG GLU A 89 116.131 -8.866 3.738 1.00 1.00 C ATOM 1408 CD GLU A 89 115.998 -9.089 2.235 1.00 1.00 C ATOM 1409 OE1 GLU A 89 115.145 -8.456 1.633 1.00 1.00 O ATOM 1410 OE2 GLU A 89 116.748 -9.894 1.709 1.00 1.00 O ATOM 0 H GLU A 89 117.891 -7.203 4.533 1.00 1.00 H new ATOM 0 HA GLU A 89 116.291 -6.469 2.430 1.00 1.00 H new ATOM 0 HB2 GLU A 89 115.480 -7.442 5.225 1.00 1.00 H new ATOM 0 HB3 GLU A 89 114.447 -7.517 3.811 1.00 1.00 H new ATOM 0 HG2 GLU A 89 117.184 -8.866 4.020 1.00 1.00 H new ATOM 0 HG3 GLU A 89 115.656 -9.686 4.277 1.00 1.00 H new ATOM 1417 N GLU A 90 115.626 -4.637 5.119 1.00 1.00 N ATOM 1418 CA GLU A 90 114.924 -3.426 5.541 1.00 1.00 C ATOM 1419 C GLU A 90 115.317 -2.215 4.705 1.00 1.00 C ATOM 1420 O GLU A 90 114.469 -1.396 4.352 1.00 1.00 O ATOM 1421 CB GLU A 90 115.225 -3.141 7.017 1.00 1.00 C ATOM 1422 CG GLU A 90 114.554 -4.200 7.899 1.00 1.00 C ATOM 1423 CD GLU A 90 114.924 -3.977 9.363 1.00 1.00 C ATOM 1424 OE1 GLU A 90 115.630 -3.019 9.637 1.00 1.00 O ATOM 1425 OE2 GLU A 90 114.496 -4.766 10.191 1.00 1.00 O ATOM 0 H GLU A 90 116.172 -5.093 5.850 1.00 1.00 H new ATOM 0 HA GLU A 90 113.858 -3.600 5.398 1.00 1.00 H new ATOM 0 HB2 GLU A 90 116.302 -3.144 7.185 1.00 1.00 H new ATOM 0 HB3 GLU A 90 114.863 -2.149 7.286 1.00 1.00 H new ATOM 0 HG2 GLU A 90 113.472 -4.152 7.778 1.00 1.00 H new ATOM 0 HG3 GLU A 90 114.866 -5.196 7.585 1.00 1.00 H new ATOM 1432 N GLN A 91 116.593 -2.106 4.390 1.00 1.00 N ATOM 1433 CA GLN A 91 117.073 -0.982 3.595 1.00 1.00 C ATOM 1434 C GLN A 91 116.598 -1.107 2.153 1.00 1.00 C ATOM 1435 O GLN A 91 116.245 -0.108 1.529 1.00 1.00 O ATOM 1436 CB GLN A 91 118.598 -0.917 3.647 1.00 1.00 C ATOM 1437 CG GLN A 91 119.097 0.313 2.887 1.00 1.00 C ATOM 1438 CD GLN A 91 120.612 0.422 3.035 1.00 1.00 C ATOM 1439 OE1 GLN A 91 121.200 -0.245 3.886 1.00 1.00 O ATOM 1440 NE2 GLN A 91 121.281 1.233 2.262 1.00 1.00 N ATOM 0 H GLN A 91 117.314 -2.773 4.667 1.00 1.00 H new ATOM 0 HA GLN A 91 116.667 -0.061 4.013 1.00 1.00 H new ATOM 0 HB2 GLN A 91 118.933 -0.875 4.683 1.00 1.00 H new ATOM 0 HB3 GLN A 91 119.024 -1.821 3.211 1.00 1.00 H new ATOM 0 HG2 GLN A 91 118.828 0.237 1.833 1.00 1.00 H new ATOM 0 HG3 GLN A 91 118.617 1.212 3.274 1.00 1.00 H new ATOM 0 HE21 GLN A 91 120.792 1.785 1.557 1.00 1.00 H new ATOM 0 HE22 GLN A 91 122.293 1.315 2.363 1.00 1.00 H new ATOM 1449 N ARG A 92 116.587 -2.324 1.617 1.00 1.00 N ATOM 1450 CA ARG A 92 116.151 -2.531 0.243 1.00 1.00 C ATOM 1451 C ARG A 92 114.672 -2.185 0.095 1.00 1.00 C ATOM 1452 O ARG A 92 114.279 -1.553 -0.885 1.00 1.00 O ATOM 1453 CB ARG A 92 116.400 -3.984 -0.171 1.00 1.00 C ATOM 1454 CG ARG A 92 117.906 -4.209 -0.318 1.00 1.00 C ATOM 1455 CD ARG A 92 118.172 -5.666 -0.697 1.00 1.00 C ATOM 1456 NE ARG A 92 119.604 -5.903 -0.841 1.00 1.00 N ATOM 1457 CZ ARG A 92 120.091 -7.138 -0.848 1.00 1.00 C ATOM 1458 NH1 ARG A 92 119.282 -8.155 -0.733 1.00 1.00 N ATOM 1459 NH2 ARG A 92 121.375 -7.333 -0.968 1.00 1.00 N ATOM 0 H ARG A 92 116.872 -3.172 2.108 1.00 1.00 H new ATOM 0 HA ARG A 92 116.726 -1.874 -0.410 1.00 1.00 H new ATOM 0 HB2 ARG A 92 115.989 -4.664 0.575 1.00 1.00 H new ATOM 0 HB3 ARG A 92 115.894 -4.199 -1.112 1.00 1.00 H new ATOM 0 HG2 ARG A 92 118.310 -3.544 -1.081 1.00 1.00 H new ATOM 0 HG3 ARG A 92 118.413 -3.967 0.616 1.00 1.00 H new ATOM 0 HD2 ARG A 92 117.763 -6.327 0.067 1.00 1.00 H new ATOM 0 HD3 ARG A 92 117.662 -5.904 -1.631 1.00 1.00 H new ATOM 0 HE ARG A 92 120.239 -5.110 -0.937 1.00 1.00 H new ATOM 0 HH11 ARG A 92 118.278 -8.000 -0.638 1.00 1.00 H new ATOM 0 HH12 ARG A 92 119.653 -9.105 -0.738 1.00 1.00 H new ATOM 0 HH21 ARG A 92 122.006 -6.536 -1.057 1.00 1.00 H new ATOM 0 HH22 ARG A 92 121.748 -8.282 -0.973 1.00 1.00 H new ATOM 1473 N GLN A 93 113.852 -2.586 1.064 1.00 1.00 N ATOM 1474 CA GLN A 93 112.424 -2.288 0.993 1.00 1.00 C ATOM 1475 C GLN A 93 112.191 -0.780 1.041 1.00 1.00 C ATOM 1476 O GLN A 93 111.386 -0.240 0.280 1.00 1.00 O ATOM 1477 CB GLN A 93 111.682 -2.950 2.160 1.00 1.00 C ATOM 1478 CG GLN A 93 111.773 -4.471 2.030 1.00 1.00 C ATOM 1479 CD GLN A 93 110.988 -5.144 3.153 1.00 1.00 C ATOM 1480 OE1 GLN A 93 110.412 -4.465 4.005 1.00 1.00 O ATOM 1481 NE2 GLN A 93 110.917 -6.446 3.194 1.00 1.00 N ATOM 0 H GLN A 93 114.143 -3.107 1.891 1.00 1.00 H new ATOM 0 HA GLN A 93 112.042 -2.682 0.051 1.00 1.00 H new ATOM 0 HB2 GLN A 93 112.115 -2.630 3.108 1.00 1.00 H new ATOM 0 HB3 GLN A 93 110.638 -2.637 2.164 1.00 1.00 H new ATOM 0 HG2 GLN A 93 111.380 -4.785 1.063 1.00 1.00 H new ATOM 0 HG3 GLN A 93 112.816 -4.785 2.067 1.00 1.00 H new ATOM 0 HE21 GLN A 93 111.395 -7.005 2.487 1.00 1.00 H new ATOM 0 HE22 GLN A 93 110.384 -6.905 3.933 1.00 1.00 H new ATOM 1490 N LYS A 94 112.891 -0.107 1.948 1.00 1.00 N ATOM 1491 CA LYS A 94 112.754 1.335 2.106 1.00 1.00 C ATOM 1492 C LYS A 94 113.164 2.073 0.830 1.00 1.00 C ATOM 1493 O LYS A 94 112.458 2.968 0.363 1.00 1.00 O ATOM 1494 CB LYS A 94 113.634 1.771 3.275 1.00 1.00 C ATOM 1495 CG LYS A 94 113.470 3.262 3.535 1.00 1.00 C ATOM 1496 CD LYS A 94 114.361 3.648 4.709 1.00 1.00 C ATOM 1497 CE LYS A 94 114.320 5.154 4.897 1.00 1.00 C ATOM 1498 NZ LYS A 94 112.947 5.585 5.287 1.00 1.00 N ATOM 0 H LYS A 94 113.560 -0.539 2.586 1.00 1.00 H new ATOM 0 HA LYS A 94 111.711 1.582 2.303 1.00 1.00 H new ATOM 0 HB2 LYS A 94 113.367 1.208 4.169 1.00 1.00 H new ATOM 0 HB3 LYS A 94 114.678 1.546 3.056 1.00 1.00 H new ATOM 0 HG2 LYS A 94 113.743 3.834 2.648 1.00 1.00 H new ATOM 0 HG3 LYS A 94 112.429 3.496 3.757 1.00 1.00 H new ATOM 0 HD2 LYS A 94 114.023 3.148 5.616 1.00 1.00 H new ATOM 0 HD3 LYS A 94 115.385 3.321 4.526 1.00 1.00 H new ATOM 0 HE2 LYS A 94 115.035 5.452 5.664 1.00 1.00 H new ATOM 0 HE3 LYS A 94 114.617 5.652 3.974 1.00 1.00 H new ATOM 0 HZ1 LYS A 94 112.815 6.587 5.041 1.00 1.00 H new ATOM 0 HZ2 LYS A 94 112.245 5.008 4.781 1.00 1.00 H new ATOM 0 HZ3 LYS A 94 112.822 5.461 6.312 1.00 1.00 H new ATOM 1512 N ASN A 95 114.317 1.704 0.284 1.00 1.00 N ATOM 1513 CA ASN A 95 114.825 2.349 -0.928 1.00 1.00 C ATOM 1514 C ASN A 95 113.850 2.175 -2.088 1.00 1.00 C ATOM 1515 O ASN A 95 113.629 3.113 -2.856 1.00 1.00 O ATOM 1516 CB ASN A 95 116.176 1.746 -1.316 1.00 1.00 C ATOM 1517 CG ASN A 95 117.236 2.108 -0.280 1.00 1.00 C ATOM 1518 OD1 ASN A 95 118.284 1.468 -0.218 1.00 1.00 O ATOM 1519 ND2 ASN A 95 117.027 3.098 0.545 1.00 1.00 N ATOM 0 H ASN A 95 114.916 0.967 0.656 1.00 1.00 H new ATOM 0 HA ASN A 95 114.940 3.413 -0.719 1.00 1.00 H new ATOM 0 HB2 ASN A 95 116.089 0.662 -1.394 1.00 1.00 H new ATOM 0 HB3 ASN A 95 116.477 2.113 -2.297 1.00 1.00 H new ATOM 0 HD21 ASN A 95 117.733 3.340 1.240 1.00 1.00 H new ATOM 0 HD22 ASN A 95 116.158 3.629 0.494 1.00 1.00 H new ATOM 1526 N GLN A 96 113.263 0.991 -2.219 1.00 1.00 N ATOM 1527 CA GLN A 96 112.319 0.751 -3.297 1.00 1.00 C ATOM 1528 C GLN A 96 111.089 1.615 -3.100 1.00 1.00 C ATOM 1529 O GLN A 96 110.528 2.146 -4.057 1.00 1.00 O ATOM 1530 CB GLN A 96 111.920 -0.726 -3.326 1.00 1.00 C ATOM 1531 CG GLN A 96 113.091 -1.565 -3.840 1.00 1.00 C ATOM 1532 CD GLN A 96 112.742 -3.047 -3.757 1.00 1.00 C ATOM 1533 OE1 GLN A 96 112.531 -3.576 -2.666 1.00 1.00 O ATOM 1534 NE2 GLN A 96 112.673 -3.752 -4.851 1.00 1.00 N ATOM 0 H GLN A 96 113.422 0.195 -1.601 1.00 1.00 H new ATOM 0 HA GLN A 96 112.789 1.007 -4.246 1.00 1.00 H new ATOM 0 HB2 GLN A 96 111.635 -1.055 -2.327 1.00 1.00 H new ATOM 0 HB3 GLN A 96 111.050 -0.865 -3.968 1.00 1.00 H new ATOM 0 HG2 GLN A 96 113.320 -1.293 -4.870 1.00 1.00 H new ATOM 0 HG3 GLN A 96 113.984 -1.359 -3.250 1.00 1.00 H new ATOM 0 HE21 GLN A 96 112.848 -3.311 -5.754 1.00 1.00 H new ATOM 0 HE22 GLN A 96 112.444 -4.745 -4.804 1.00 1.00 H new ATOM 1543 N GLU A 97 110.677 1.757 -1.848 1.00 1.00 N ATOM 1544 CA GLU A 97 109.511 2.562 -1.541 1.00 1.00 C ATOM 1545 C GLU A 97 109.775 4.024 -1.894 1.00 1.00 C ATOM 1546 O GLU A 97 108.917 4.713 -2.443 1.00 1.00 O ATOM 1547 CB GLU A 97 109.175 2.436 -0.055 1.00 1.00 C ATOM 1548 CG GLU A 97 107.883 3.196 0.258 1.00 1.00 C ATOM 1549 CD GLU A 97 107.555 3.075 1.744 1.00 1.00 C ATOM 1550 OE1 GLU A 97 108.154 2.236 2.396 1.00 1.00 O ATOM 1551 OE2 GLU A 97 106.711 3.824 2.207 1.00 1.00 O ATOM 0 H GLU A 97 111.129 1.330 -1.040 1.00 1.00 H new ATOM 0 HA GLU A 97 108.667 2.206 -2.131 1.00 1.00 H new ATOM 0 HB2 GLU A 97 109.062 1.385 0.213 1.00 1.00 H new ATOM 0 HB3 GLU A 97 109.994 2.832 0.546 1.00 1.00 H new ATOM 0 HG2 GLU A 97 107.993 4.246 -0.015 1.00 1.00 H new ATOM 0 HG3 GLU A 97 107.062 2.796 -0.338 1.00 1.00 H new ATOM 1558 N LEU A 98 110.979 4.483 -1.568 1.00 1.00 N ATOM 1559 CA LEU A 98 111.391 5.852 -1.835 1.00 1.00 C ATOM 1560 C LEU A 98 111.458 6.115 -3.339 1.00 1.00 C ATOM 1561 O LEU A 98 111.061 7.176 -3.819 1.00 1.00 O ATOM 1562 CB LEU A 98 112.770 6.056 -1.207 1.00 1.00 C ATOM 1563 CG LEU A 98 113.021 7.531 -0.901 1.00 1.00 C ATOM 1564 CD1 LEU A 98 112.101 8.001 0.229 1.00 1.00 C ATOM 1565 CD2 LEU A 98 114.474 7.685 -0.460 1.00 1.00 C ATOM 0 H LEU A 98 111.694 3.916 -1.112 1.00 1.00 H new ATOM 0 HA LEU A 98 110.667 6.547 -1.409 1.00 1.00 H new ATOM 0 HB2 LEU A 98 112.845 5.473 -0.289 1.00 1.00 H new ATOM 0 HB3 LEU A 98 113.540 5.685 -1.884 1.00 1.00 H new ATOM 0 HG LEU A 98 112.820 8.130 -1.789 1.00 1.00 H new ATOM 0 HD11 LEU A 98 112.290 9.054 0.438 1.00 1.00 H new ATOM 0 HD12 LEU A 98 111.061 7.871 -0.071 1.00 1.00 H new ATOM 0 HD13 LEU A 98 112.296 7.413 1.126 1.00 1.00 H new ATOM 0 HD21 LEU A 98 114.677 8.732 -0.236 1.00 1.00 H new ATOM 0 HD22 LEU A 98 114.650 7.082 0.431 1.00 1.00 H new ATOM 0 HD23 LEU A 98 115.134 7.351 -1.260 1.00 1.00 H new ATOM 1577 N LYS A 99 111.985 5.139 -4.070 1.00 1.00 N ATOM 1578 CA LYS A 99 112.127 5.273 -5.511 1.00 1.00 C ATOM 1579 C LYS A 99 110.765 5.504 -6.118 1.00 1.00 C ATOM 1580 O LYS A 99 110.609 6.292 -7.049 1.00 1.00 O ATOM 1581 CB LYS A 99 112.717 3.990 -6.108 1.00 1.00 C ATOM 1582 CG LYS A 99 112.982 4.198 -7.604 1.00 1.00 C ATOM 1583 CD LYS A 99 113.482 2.900 -8.235 1.00 1.00 C ATOM 1584 CE LYS A 99 113.754 3.141 -9.723 1.00 1.00 C ATOM 1585 NZ LYS A 99 114.257 1.888 -10.353 1.00 1.00 N ATOM 0 H LYS A 99 112.318 4.253 -3.690 1.00 1.00 H new ATOM 0 HA LYS A 99 112.791 6.110 -5.726 1.00 1.00 H new ATOM 0 HB2 LYS A 99 113.644 3.731 -5.596 1.00 1.00 H new ATOM 0 HB3 LYS A 99 112.028 3.158 -5.962 1.00 1.00 H new ATOM 0 HG2 LYS A 99 112.068 4.524 -8.101 1.00 1.00 H new ATOM 0 HG3 LYS A 99 113.721 4.987 -7.744 1.00 1.00 H new ATOM 0 HD2 LYS A 99 114.391 2.564 -7.736 1.00 1.00 H new ATOM 0 HD3 LYS A 99 112.740 2.111 -8.111 1.00 1.00 H new ATOM 0 HE2 LYS A 99 112.841 3.468 -10.221 1.00 1.00 H new ATOM 0 HE3 LYS A 99 114.486 3.939 -9.844 1.00 1.00 H new ATOM 0 HZ1 LYS A 99 114.440 2.056 -11.363 1.00 1.00 H new ATOM 0 HZ2 LYS A 99 115.138 1.594 -9.886 1.00 1.00 H new ATOM 0 HZ3 LYS A 99 113.544 1.138 -10.251 1.00 1.00 H new ATOM 1599 N ALA A 100 109.779 4.816 -5.578 1.00 1.00 N ATOM 1600 CA ALA A 100 108.430 4.959 -6.062 1.00 1.00 C ATOM 1601 C ALA A 100 107.805 6.248 -5.550 1.00 1.00 C ATOM 1602 O ALA A 100 107.031 6.900 -6.248 1.00 1.00 O ATOM 1603 CB ALA A 100 107.594 3.777 -5.605 1.00 1.00 C ATOM 0 H ALA A 100 109.890 4.157 -4.808 1.00 1.00 H new ATOM 0 HA ALA A 100 108.458 4.993 -7.151 1.00 1.00 H new ATOM 0 HB1 ALA A 100 106.574 3.889 -5.973 1.00 1.00 H new ATOM 0 HB2 ALA A 100 108.022 2.855 -5.998 1.00 1.00 H new ATOM 0 HB3 ALA A 100 107.584 3.738 -4.516 1.00 1.00 H new ATOM 1609 N GLN A 101 108.118 6.594 -4.305 1.00 1.00 N ATOM 1610 CA GLN A 101 107.558 7.771 -3.684 1.00 1.00 C ATOM 1611 C GLN A 101 107.818 9.025 -4.489 1.00 1.00 C ATOM 1612 O GLN A 101 106.904 9.815 -4.729 1.00 1.00 O ATOM 1613 CB GLN A 101 108.155 7.931 -2.284 1.00 1.00 C ATOM 1614 CG GLN A 101 107.482 9.098 -1.569 1.00 1.00 C ATOM 1615 CD GLN A 101 108.044 9.249 -0.158 1.00 1.00 C ATOM 1616 OE1 GLN A 101 108.628 8.309 0.384 1.00 1.00 O ATOM 1617 NE2 GLN A 101 107.904 10.384 0.473 1.00 1.00 N ATOM 0 H GLN A 101 108.760 6.068 -3.711 1.00 1.00 H new ATOM 0 HA GLN A 101 106.478 7.636 -3.630 1.00 1.00 H new ATOM 0 HB2 GLN A 101 108.017 7.013 -1.712 1.00 1.00 H new ATOM 0 HB3 GLN A 101 109.229 8.105 -2.354 1.00 1.00 H new ATOM 0 HG2 GLN A 101 107.640 10.018 -2.131 1.00 1.00 H new ATOM 0 HG3 GLN A 101 106.405 8.934 -1.523 1.00 1.00 H new ATOM 0 HE21 GLN A 101 107.420 11.161 0.023 1.00 1.00 H new ATOM 0 HE22 GLN A 101 108.278 10.493 1.416 1.00 1.00 H new ATOM 1626 N TYR A 102 109.067 9.230 -4.870 1.00 1.00 N ATOM 1627 CA TYR A 102 109.413 10.424 -5.605 1.00 1.00 C ATOM 1628 C TYR A 102 109.372 10.214 -7.106 1.00 1.00 C ATOM 1629 O TYR A 102 109.880 11.028 -7.877 1.00 1.00 O ATOM 1630 CB TYR A 102 110.792 10.951 -5.171 1.00 1.00 C ATOM 1631 CG TYR A 102 110.670 11.671 -3.834 1.00 1.00 C ATOM 1632 CD1 TYR A 102 109.804 12.770 -3.696 1.00 1.00 C ATOM 1633 CD2 TYR A 102 111.399 11.221 -2.720 1.00 1.00 C ATOM 1634 CE1 TYR A 102 109.663 13.403 -2.457 1.00 1.00 C ATOM 1635 CE2 TYR A 102 111.260 11.865 -1.485 1.00 1.00 C ATOM 1636 CZ TYR A 102 110.389 12.951 -1.354 1.00 1.00 C ATOM 1637 OH TYR A 102 110.237 13.573 -0.133 1.00 1.00 O ATOM 0 H TYR A 102 109.843 8.595 -4.685 1.00 1.00 H new ATOM 0 HA TYR A 102 108.657 11.172 -5.366 1.00 1.00 H new ATOM 0 HB2 TYR A 102 111.498 10.125 -5.087 1.00 1.00 H new ATOM 0 HB3 TYR A 102 111.186 11.631 -5.926 1.00 1.00 H new ATOM 0 HD1 TYR A 102 109.246 13.126 -4.549 1.00 1.00 H new ATOM 0 HD2 TYR A 102 112.067 10.378 -2.817 1.00 1.00 H new ATOM 0 HE1 TYR A 102 108.992 14.243 -2.354 1.00 1.00 H new ATOM 0 HE2 TYR A 102 111.827 11.522 -0.632 1.00 1.00 H new ATOM 0 HH TYR A 102 109.433 14.134 -0.149 1.00 1.00 H new ATOM 1647 N LYS A 103 108.718 9.122 -7.515 1.00 1.00 N ATOM 1648 CA LYS A 103 108.553 8.805 -8.925 1.00 1.00 C ATOM 1649 C LYS A 103 109.882 8.877 -9.643 1.00 1.00 C ATOM 1650 O LYS A 103 110.007 9.549 -10.666 1.00 1.00 O ATOM 1651 CB LYS A 103 107.570 9.791 -9.568 1.00 1.00 C ATOM 1652 CG LYS A 103 106.174 9.595 -8.968 1.00 1.00 C ATOM 1653 CD LYS A 103 105.191 10.580 -9.607 1.00 1.00 C ATOM 1654 CE LYS A 103 103.798 10.376 -8.999 1.00 1.00 C ATOM 1655 NZ LYS A 103 102.840 11.351 -9.594 1.00 1.00 N ATOM 0 H LYS A 103 108.295 8.444 -6.881 1.00 1.00 H new ATOM 0 HA LYS A 103 108.161 7.791 -9.009 1.00 1.00 H new ATOM 0 HB2 LYS A 103 107.907 10.815 -9.403 1.00 1.00 H new ATOM 0 HB3 LYS A 103 107.538 9.636 -10.646 1.00 1.00 H new ATOM 0 HG2 LYS A 103 105.837 8.572 -9.134 1.00 1.00 H new ATOM 0 HG3 LYS A 103 106.207 9.748 -7.889 1.00 1.00 H new ATOM 0 HD2 LYS A 103 105.526 11.604 -9.441 1.00 1.00 H new ATOM 0 HD3 LYS A 103 105.155 10.427 -10.686 1.00 1.00 H new ATOM 0 HE2 LYS A 103 103.456 9.358 -9.183 1.00 1.00 H new ATOM 0 HE3 LYS A 103 103.840 10.507 -7.918 1.00 1.00 H new ATOM 0 HZ1 LYS A 103 101.897 11.209 -9.179 1.00 1.00 H new ATOM 0 HZ2 LYS A 103 103.163 12.320 -9.396 1.00 1.00 H new ATOM 0 HZ3 LYS A 103 102.791 11.206 -10.623 1.00 1.00 H new ATOM 1669 N VAL A 104 110.881 8.198 -9.105 1.00 1.00 N ATOM 1670 CA VAL A 104 112.190 8.221 -9.718 1.00 1.00 C ATOM 1671 C VAL A 104 112.306 7.105 -10.747 1.00 1.00 C ATOM 1672 O VAL A 104 112.114 5.933 -10.427 1.00 1.00 O ATOM 1673 CB VAL A 104 113.267 8.075 -8.648 1.00 1.00 C ATOM 1674 CG1 VAL A 104 114.647 8.116 -9.300 1.00 1.00 C ATOM 1675 CG2 VAL A 104 113.148 9.225 -7.648 1.00 1.00 C ATOM 0 H VAL A 104 110.810 7.634 -8.258 1.00 1.00 H new ATOM 0 HA VAL A 104 112.329 9.175 -10.226 1.00 1.00 H new ATOM 0 HB VAL A 104 113.137 7.124 -8.132 1.00 1.00 H new ATOM 0 HG11 VAL A 104 115.415 8.012 -8.533 1.00 1.00 H new ATOM 0 HG12 VAL A 104 114.736 7.299 -10.016 1.00 1.00 H new ATOM 0 HG13 VAL A 104 114.777 9.067 -9.817 1.00 1.00 H new ATOM 0 HG21 VAL A 104 113.917 9.122 -6.882 1.00 1.00 H new ATOM 0 HG22 VAL A 104 113.278 10.174 -8.168 1.00 1.00 H new ATOM 0 HG23 VAL A 104 112.164 9.200 -7.180 1.00 1.00 H new ATOM 1685 N THR A 105 112.614 7.483 -11.985 1.00 1.00 N ATOM 1686 CA THR A 105 112.743 6.522 -13.063 1.00 1.00 C ATOM 1687 C THR A 105 114.156 6.520 -13.624 1.00 1.00 C ATOM 1688 O THR A 105 114.760 5.468 -13.820 1.00 1.00 O ATOM 1689 CB THR A 105 111.760 6.872 -14.180 1.00 1.00 C ATOM 1690 OG1 THR A 105 111.776 8.273 -14.402 1.00 1.00 O ATOM 1691 CG2 THR A 105 110.351 6.437 -13.784 1.00 1.00 C ATOM 0 H THR A 105 112.778 8.451 -12.261 1.00 1.00 H new ATOM 0 HA THR A 105 112.523 5.531 -12.666 1.00 1.00 H new ATOM 0 HB THR A 105 112.054 6.353 -15.093 1.00 1.00 H new ATOM 0 HG1 THR A 105 111.147 8.498 -15.119 1.00 1.00 H new ATOM 0 HG21 THR A 105 109.654 6.689 -14.584 1.00 1.00 H new ATOM 0 HG22 THR A 105 110.336 5.360 -13.616 1.00 1.00 H new ATOM 0 HG23 THR A 105 110.055 6.951 -12.870 1.00 1.00 H new ATOM 1699 N GLY A 106 114.665 7.716 -13.894 1.00 1.00 N ATOM 1700 CA GLY A 106 116.000 7.861 -14.455 1.00 1.00 C ATOM 1701 C GLY A 106 117.011 8.336 -13.419 1.00 1.00 C ATOM 1702 O GLY A 106 116.682 9.073 -12.494 1.00 1.00 O ATOM 0 H GLY A 106 114.175 8.596 -13.734 1.00 1.00 H new ATOM 0 HA2 GLY A 106 116.325 6.905 -14.866 1.00 1.00 H new ATOM 0 HA3 GLY A 106 115.970 8.570 -15.282 1.00 1.00 H new ATOM 1706 N PHE A 107 118.248 7.906 -13.612 1.00 1.00 N ATOM 1707 CA PHE A 107 119.349 8.273 -12.728 1.00 1.00 C ATOM 1708 C PHE A 107 120.497 8.860 -13.566 1.00 1.00 C ATOM 1709 O PHE A 107 120.658 8.490 -14.730 1.00 1.00 O ATOM 1710 CB PHE A 107 119.843 7.033 -11.984 1.00 1.00 C ATOM 1711 CG PHE A 107 119.239 5.800 -12.615 1.00 1.00 C ATOM 1712 CD1 PHE A 107 119.690 5.365 -13.866 1.00 1.00 C ATOM 1713 CD2 PHE A 107 118.225 5.097 -11.953 1.00 1.00 C ATOM 1714 CE1 PHE A 107 119.127 4.229 -14.458 1.00 1.00 C ATOM 1715 CE2 PHE A 107 117.663 3.958 -12.544 1.00 1.00 C ATOM 1716 CZ PHE A 107 118.113 3.525 -13.797 1.00 1.00 C ATOM 0 H PHE A 107 118.519 7.295 -14.382 1.00 1.00 H new ATOM 0 HA PHE A 107 119.006 9.014 -12.006 1.00 1.00 H new ATOM 0 HB2 PHE A 107 120.931 6.980 -12.023 1.00 1.00 H new ATOM 0 HB3 PHE A 107 119.565 7.091 -10.932 1.00 1.00 H new ATOM 0 HD1 PHE A 107 120.473 5.907 -14.375 1.00 1.00 H new ATOM 0 HD2 PHE A 107 117.876 5.433 -10.987 1.00 1.00 H new ATOM 0 HE1 PHE A 107 119.474 3.895 -15.425 1.00 1.00 H new ATOM 0 HE2 PHE A 107 116.883 3.414 -12.033 1.00 1.00 H new ATOM 0 HZ PHE A 107 117.678 2.648 -14.254 1.00 1.00 H new ATOM 1726 N PRO A 108 121.301 9.745 -13.022 1.00 1.00 N ATOM 1727 CA PRO A 108 121.174 10.247 -11.621 1.00 1.00 C ATOM 1728 C PRO A 108 120.077 11.281 -11.468 1.00 1.00 C ATOM 1729 O PRO A 108 119.906 12.151 -12.323 1.00 1.00 O ATOM 1730 CB PRO A 108 122.529 10.893 -11.361 1.00 1.00 C ATOM 1731 CG PRO A 108 122.948 11.401 -12.698 1.00 1.00 C ATOM 1732 CD PRO A 108 122.441 10.375 -13.710 1.00 1.00 C ATOM 0 HA PRO A 108 120.914 9.446 -10.929 1.00 1.00 H new ATOM 0 HB2 PRO A 108 122.453 11.701 -10.633 1.00 1.00 H new ATOM 0 HB3 PRO A 108 123.245 10.173 -10.965 1.00 1.00 H new ATOM 0 HG2 PRO A 108 122.523 12.386 -12.893 1.00 1.00 H new ATOM 0 HG3 PRO A 108 124.032 11.504 -12.755 1.00 1.00 H new ATOM 0 HD2 PRO A 108 122.134 10.849 -14.642 1.00 1.00 H new ATOM 0 HD3 PRO A 108 123.211 9.645 -13.961 1.00 1.00 H new ATOM 1740 N GLU A 109 119.352 11.196 -10.365 1.00 1.00 N ATOM 1741 CA GLU A 109 118.288 12.141 -10.091 1.00 1.00 C ATOM 1742 C GLU A 109 118.413 12.615 -8.654 1.00 1.00 C ATOM 1743 O GLU A 109 118.433 11.805 -7.724 1.00 1.00 O ATOM 1744 CB GLU A 109 116.930 11.472 -10.308 1.00 1.00 C ATOM 1745 CG GLU A 109 115.806 12.505 -10.191 1.00 1.00 C ATOM 1746 CD GLU A 109 115.828 13.432 -11.402 1.00 1.00 C ATOM 1747 OE1 GLU A 109 116.602 13.172 -12.308 1.00 1.00 O ATOM 1748 OE2 GLU A 109 115.068 14.387 -11.406 1.00 1.00 O ATOM 0 H GLU A 109 119.482 10.483 -9.647 1.00 1.00 H new ATOM 0 HA GLU A 109 118.366 12.993 -10.766 1.00 1.00 H new ATOM 0 HB2 GLU A 109 116.901 11.002 -11.291 1.00 1.00 H new ATOM 0 HB3 GLU A 109 116.785 10.681 -9.572 1.00 1.00 H new ATOM 0 HG2 GLU A 109 114.842 12.001 -10.125 1.00 1.00 H new ATOM 0 HG3 GLU A 109 115.926 13.085 -9.276 1.00 1.00 H new ATOM 1755 N LEU A 110 118.497 13.921 -8.469 1.00 1.00 N ATOM 1756 CA LEU A 110 118.617 14.507 -7.149 1.00 1.00 C ATOM 1757 C LEU A 110 117.341 15.285 -6.876 1.00 1.00 C ATOM 1758 O LEU A 110 116.979 16.192 -7.627 1.00 1.00 O ATOM 1759 CB LEU A 110 119.841 15.434 -7.132 1.00 1.00 C ATOM 1760 CG LEU A 110 120.694 15.239 -5.867 1.00 1.00 C ATOM 1761 CD1 LEU A 110 122.056 15.900 -6.084 1.00 1.00 C ATOM 1762 CD2 LEU A 110 120.021 15.894 -4.662 1.00 1.00 C ATOM 0 H LEU A 110 118.484 14.602 -9.228 1.00 1.00 H new ATOM 0 HA LEU A 110 118.751 13.747 -6.380 1.00 1.00 H new ATOM 0 HB2 LEU A 110 120.452 15.244 -8.014 1.00 1.00 H new ATOM 0 HB3 LEU A 110 119.511 16.471 -7.190 1.00 1.00 H new ATOM 0 HG LEU A 110 120.807 14.172 -5.677 1.00 1.00 H new ATOM 0 HD11 LEU A 110 122.670 15.768 -5.193 1.00 1.00 H new ATOM 0 HD12 LEU A 110 122.552 15.439 -6.938 1.00 1.00 H new ATOM 0 HD13 LEU A 110 121.918 16.964 -6.275 1.00 1.00 H new ATOM 0 HD21 LEU A 110 120.638 15.746 -3.776 1.00 1.00 H new ATOM 0 HD22 LEU A 110 119.902 16.961 -4.847 1.00 1.00 H new ATOM 0 HD23 LEU A 110 119.042 15.442 -4.502 1.00 1.00 H new ATOM 1774 N VAL A 111 116.650 14.893 -5.819 1.00 1.00 N ATOM 1775 CA VAL A 111 115.387 15.521 -5.460 1.00 1.00 C ATOM 1776 C VAL A 111 115.490 16.242 -4.127 1.00 1.00 C ATOM 1777 O VAL A 111 115.938 15.666 -3.137 1.00 1.00 O ATOM 1778 CB VAL A 111 114.302 14.449 -5.381 1.00 1.00 C ATOM 1779 CG1 VAL A 111 113.890 14.030 -6.791 1.00 1.00 C ATOM 1780 CG2 VAL A 111 114.868 13.250 -4.654 1.00 1.00 C ATOM 0 H VAL A 111 116.942 14.142 -5.193 1.00 1.00 H new ATOM 0 HA VAL A 111 115.135 16.257 -6.223 1.00 1.00 H new ATOM 0 HB VAL A 111 113.432 14.839 -4.853 1.00 1.00 H new ATOM 0 HG11 VAL A 111 113.116 13.265 -6.732 1.00 1.00 H new ATOM 0 HG12 VAL A 111 113.504 14.896 -7.330 1.00 1.00 H new ATOM 0 HG13 VAL A 111 114.755 13.630 -7.319 1.00 1.00 H new ATOM 0 HG21 VAL A 111 114.107 12.472 -4.587 1.00 1.00 H new ATOM 0 HG22 VAL A 111 115.731 12.868 -5.200 1.00 1.00 H new ATOM 0 HG23 VAL A 111 115.175 13.544 -3.650 1.00 1.00 H new ATOM 1790 N PHE A 112 115.074 17.493 -4.100 1.00 1.00 N ATOM 1791 CA PHE A 112 115.133 18.281 -2.880 1.00 1.00 C ATOM 1792 C PHE A 112 113.773 18.296 -2.198 1.00 1.00 C ATOM 1793 O PHE A 112 112.765 18.660 -2.803 1.00 1.00 O ATOM 1794 CB PHE A 112 115.598 19.694 -3.228 1.00 1.00 C ATOM 1795 CG PHE A 112 116.936 19.581 -3.913 1.00 1.00 C ATOM 1796 CD1 PHE A 112 118.108 19.519 -3.152 1.00 1.00 C ATOM 1797 CD2 PHE A 112 117.003 19.505 -5.308 1.00 1.00 C ATOM 1798 CE1 PHE A 112 119.348 19.386 -3.787 1.00 1.00 C ATOM 1799 CE2 PHE A 112 118.241 19.367 -5.943 1.00 1.00 C ATOM 1800 CZ PHE A 112 119.414 19.308 -5.183 1.00 1.00 C ATOM 0 H PHE A 112 114.692 17.987 -4.906 1.00 1.00 H new ATOM 0 HA PHE A 112 115.844 17.838 -2.182 1.00 1.00 H new ATOM 0 HB2 PHE A 112 114.875 20.185 -3.880 1.00 1.00 H new ATOM 0 HB3 PHE A 112 115.680 20.302 -2.327 1.00 1.00 H new ATOM 0 HD1 PHE A 112 118.056 19.574 -2.075 1.00 1.00 H new ATOM 0 HD2 PHE A 112 116.098 19.553 -5.895 1.00 1.00 H new ATOM 0 HE1 PHE A 112 120.254 19.344 -3.200 1.00 1.00 H new ATOM 0 HE2 PHE A 112 118.292 19.306 -7.020 1.00 1.00 H new ATOM 0 HZ PHE A 112 120.370 19.202 -5.673 1.00 1.00 H new ATOM 1810 N ILE A 113 113.759 17.881 -0.932 1.00 1.00 N ATOM 1811 CA ILE A 113 112.526 17.833 -0.158 1.00 1.00 C ATOM 1812 C ILE A 113 112.699 18.498 1.188 1.00 1.00 C ATOM 1813 O ILE A 113 113.800 18.584 1.721 1.00 1.00 O ATOM 1814 CB ILE A 113 112.061 16.386 0.038 1.00 1.00 C ATOM 1815 CG1 ILE A 113 113.171 15.580 0.719 1.00 1.00 C ATOM 1816 CG2 ILE A 113 111.713 15.763 -1.312 1.00 1.00 C ATOM 1817 CD1 ILE A 113 112.657 14.185 1.068 1.00 1.00 C ATOM 0 H ILE A 113 114.588 17.574 -0.424 1.00 1.00 H new ATOM 0 HA ILE A 113 111.767 18.377 -0.720 1.00 1.00 H new ATOM 0 HB ILE A 113 111.172 16.375 0.668 1.00 1.00 H new ATOM 0 HG12 ILE A 113 114.035 15.505 0.059 1.00 1.00 H new ATOM 0 HG13 ILE A 113 113.503 16.092 1.622 1.00 1.00 H new ATOM 0 HG21 ILE A 113 111.383 14.735 -1.164 1.00 1.00 H new ATOM 0 HG22 ILE A 113 110.914 16.336 -1.782 1.00 1.00 H new ATOM 0 HG23 ILE A 113 112.593 15.773 -1.955 1.00 1.00 H new ATOM 0 HD11 ILE A 113 113.450 13.616 1.552 1.00 1.00 H new ATOM 0 HD12 ILE A 113 111.806 14.269 1.744 1.00 1.00 H new ATOM 0 HD13 ILE A 113 112.347 13.673 0.157 1.00 1.00 H new ATOM 1829 N ASP A 114 111.568 18.896 1.751 1.00 1.00 N ATOM 1830 CA ASP A 114 111.536 19.485 3.070 1.00 1.00 C ATOM 1831 C ASP A 114 111.309 18.373 4.074 1.00 1.00 C ATOM 1832 O ASP A 114 111.222 17.200 3.711 1.00 1.00 O ATOM 1833 CB ASP A 114 110.401 20.507 3.180 1.00 1.00 C ATOM 1834 CG ASP A 114 110.795 21.824 2.519 1.00 1.00 C ATOM 1835 OD1 ASP A 114 111.966 21.995 2.221 1.00 1.00 O ATOM 1836 OD2 ASP A 114 109.916 22.647 2.329 1.00 1.00 O ATOM 0 H ASP A 114 110.654 18.818 1.305 1.00 1.00 H new ATOM 0 HA ASP A 114 112.478 19.999 3.263 1.00 1.00 H new ATOM 0 HB2 ASP A 114 109.502 20.112 2.707 1.00 1.00 H new ATOM 0 HB3 ASP A 114 110.160 20.679 4.229 1.00 1.00 H new ATOM 1841 N ALA A 115 111.228 18.739 5.335 1.00 1.00 N ATOM 1842 CA ALA A 115 111.031 17.773 6.408 1.00 1.00 C ATOM 1843 C ALA A 115 109.626 17.181 6.389 1.00 1.00 C ATOM 1844 O ALA A 115 109.365 16.182 7.058 1.00 1.00 O ATOM 1845 CB ALA A 115 111.259 18.466 7.746 1.00 1.00 C ATOM 0 H ALA A 115 111.296 19.707 5.650 1.00 1.00 H new ATOM 0 HA ALA A 115 111.741 16.959 6.264 1.00 1.00 H new ATOM 0 HB1 ALA A 115 111.114 17.751 8.556 1.00 1.00 H new ATOM 0 HB2 ALA A 115 112.276 18.857 7.785 1.00 1.00 H new ATOM 0 HB3 ALA A 115 110.551 19.287 7.856 1.00 1.00 H new ATOM 1851 N GLU A 116 108.727 17.776 5.619 1.00 1.00 N ATOM 1852 CA GLU A 116 107.364 17.275 5.519 1.00 1.00 C ATOM 1853 C GLU A 116 107.248 16.409 4.274 1.00 1.00 C ATOM 1854 O GLU A 116 106.195 15.832 4.004 1.00 1.00 O ATOM 1855 CB GLU A 116 106.384 18.444 5.440 1.00 1.00 C ATOM 1856 CG GLU A 116 106.379 19.186 6.777 1.00 1.00 C ATOM 1857 CD GLU A 116 105.473 20.410 6.698 1.00 1.00 C ATOM 1858 OE1 GLU A 116 104.886 20.621 5.650 1.00 1.00 O ATOM 1859 OE2 GLU A 116 105.380 21.116 7.687 1.00 1.00 O ATOM 0 H GLU A 116 108.916 18.605 5.055 1.00 1.00 H new ATOM 0 HA GLU A 116 107.124 16.681 6.401 1.00 1.00 H new ATOM 0 HB2 GLU A 116 106.671 19.121 4.636 1.00 1.00 H new ATOM 0 HB3 GLU A 116 105.383 18.080 5.208 1.00 1.00 H new ATOM 0 HG2 GLU A 116 106.035 18.521 7.569 1.00 1.00 H new ATOM 0 HG3 GLU A 116 107.393 19.491 7.035 1.00 1.00 H new ATOM 1866 N GLY A 117 108.344 16.301 3.537 1.00 1.00 N ATOM 1867 CA GLY A 117 108.360 15.475 2.343 1.00 1.00 C ATOM 1868 C GLY A 117 107.889 16.239 1.115 1.00 1.00 C ATOM 1869 O GLY A 117 107.626 15.634 0.076 1.00 1.00 O ATOM 0 H GLY A 117 109.225 16.771 3.744 1.00 1.00 H new ATOM 0 HA2 GLY A 117 109.370 15.103 2.173 1.00 1.00 H new ATOM 0 HA3 GLY A 117 107.721 14.605 2.496 1.00 1.00 H new ATOM 1873 N LYS A 118 107.802 17.563 1.207 1.00 1.00 N ATOM 1874 CA LYS A 118 107.379 18.351 0.057 1.00 1.00 C ATOM 1875 C LYS A 118 108.555 18.603 -0.858 1.00 1.00 C ATOM 1876 O LYS A 118 109.654 18.863 -0.392 1.00 1.00 O ATOM 1877 CB LYS A 118 106.765 19.677 0.487 1.00 1.00 C ATOM 1878 CG LYS A 118 105.391 19.405 1.080 1.00 1.00 C ATOM 1879 CD LYS A 118 104.765 20.716 1.555 1.00 1.00 C ATOM 1880 CE LYS A 118 103.418 20.416 2.208 1.00 1.00 C ATOM 1881 NZ LYS A 118 102.812 21.681 2.707 1.00 1.00 N ATOM 0 H LYS A 118 108.014 18.102 2.047 1.00 1.00 H new ATOM 0 HA LYS A 118 106.617 17.783 -0.477 1.00 1.00 H new ATOM 0 HB2 LYS A 118 107.403 20.169 1.221 1.00 1.00 H new ATOM 0 HB3 LYS A 118 106.682 20.350 -0.366 1.00 1.00 H new ATOM 0 HG2 LYS A 118 104.750 18.934 0.335 1.00 1.00 H new ATOM 0 HG3 LYS A 118 105.476 18.708 1.914 1.00 1.00 H new ATOM 0 HD2 LYS A 118 105.426 21.213 2.266 1.00 1.00 H new ATOM 0 HD3 LYS A 118 104.632 21.396 0.714 1.00 1.00 H new ATOM 0 HE2 LYS A 118 102.751 19.941 1.488 1.00 1.00 H new ATOM 0 HE3 LYS A 118 103.550 19.714 3.032 1.00 1.00 H new ATOM 0 HZ1 LYS A 118 101.895 21.475 3.151 1.00 1.00 H new ATOM 0 HZ2 LYS A 118 103.446 22.117 3.407 1.00 1.00 H new ATOM 0 HZ3 LYS A 118 102.672 22.336 1.912 1.00 1.00 H new ATOM 1895 N GLN A 119 108.311 18.512 -2.154 1.00 1.00 N ATOM 1896 CA GLN A 119 109.359 18.709 -3.143 1.00 1.00 C ATOM 1897 C GLN A 119 109.590 20.190 -3.453 1.00 1.00 C ATOM 1898 O GLN A 119 108.672 20.901 -3.863 1.00 1.00 O ATOM 1899 CB GLN A 119 108.973 17.940 -4.409 1.00 1.00 C ATOM 1900 CG GLN A 119 109.515 18.645 -5.644 1.00 1.00 C ATOM 1901 CD GLN A 119 109.436 17.707 -6.841 1.00 1.00 C ATOM 1902 OE1 GLN A 119 109.385 16.489 -6.670 1.00 1.00 O ATOM 1903 NE2 GLN A 119 109.424 18.199 -8.049 1.00 1.00 N ATOM 0 H GLN A 119 107.394 18.302 -2.548 1.00 1.00 H new ATOM 0 HA GLN A 119 110.300 18.331 -2.743 1.00 1.00 H new ATOM 0 HB2 GLN A 119 109.367 16.925 -4.360 1.00 1.00 H new ATOM 0 HB3 GLN A 119 107.888 17.858 -4.476 1.00 1.00 H new ATOM 0 HG2 GLN A 119 108.941 19.551 -5.840 1.00 1.00 H new ATOM 0 HG3 GLN A 119 110.547 18.952 -5.477 1.00 1.00 H new ATOM 0 HE21 GLN A 119 109.466 19.208 -8.189 1.00 1.00 H new ATOM 0 HE22 GLN A 119 109.372 17.574 -8.854 1.00 1.00 H new ATOM 1912 N LEU A 120 110.835 20.640 -3.279 1.00 1.00 N ATOM 1913 CA LEU A 120 111.171 22.031 -3.574 1.00 1.00 C ATOM 1914 C LEU A 120 111.782 22.153 -4.962 1.00 1.00 C ATOM 1915 O LEU A 120 111.633 23.185 -5.617 1.00 1.00 O ATOM 1916 CB LEU A 120 112.173 22.617 -2.555 1.00 1.00 C ATOM 1917 CG LEU A 120 111.680 22.477 -1.101 1.00 1.00 C ATOM 1918 CD1 LEU A 120 110.175 22.717 -1.017 1.00 1.00 C ATOM 1919 CD2 LEU A 120 112.001 21.082 -0.566 1.00 1.00 C ATOM 0 H LEU A 120 111.613 20.072 -2.942 1.00 1.00 H new ATOM 0 HA LEU A 120 110.238 22.591 -3.516 1.00 1.00 H new ATOM 0 HB2 LEU A 120 113.133 22.111 -2.661 1.00 1.00 H new ATOM 0 HB3 LEU A 120 112.341 23.670 -2.779 1.00 1.00 H new ATOM 0 HG LEU A 120 112.193 23.225 -0.496 1.00 1.00 H new ATOM 0 HD11 LEU A 120 109.847 22.614 0.017 1.00 1.00 H new ATOM 0 HD12 LEU A 120 109.947 23.722 -1.371 1.00 1.00 H new ATOM 0 HD13 LEU A 120 109.655 21.987 -1.637 1.00 1.00 H new ATOM 0 HD21 LEU A 120 111.648 20.996 0.462 1.00 1.00 H new ATOM 0 HD22 LEU A 120 111.506 20.333 -1.184 1.00 1.00 H new ATOM 0 HD23 LEU A 120 113.079 20.921 -0.594 1.00 1.00 H new ATOM 1931 N ALA A 121 112.440 21.088 -5.421 1.00 1.00 N ATOM 1932 CA ALA A 121 113.040 21.082 -6.752 1.00 1.00 C ATOM 1933 C ALA A 121 113.687 19.731 -7.051 1.00 1.00 C ATOM 1934 O ALA A 121 113.863 18.907 -6.155 1.00 1.00 O ATOM 1935 CB ALA A 121 114.101 22.176 -6.882 1.00 1.00 C ATOM 0 H ALA A 121 112.570 20.225 -4.894 1.00 1.00 H new ATOM 0 HA ALA A 121 112.239 21.269 -7.467 1.00 1.00 H new ATOM 0 HB1 ALA A 121 114.531 22.148 -7.883 1.00 1.00 H new ATOM 0 HB2 ALA A 121 113.642 23.150 -6.711 1.00 1.00 H new ATOM 0 HB3 ALA A 121 114.887 22.010 -6.145 1.00 1.00 H new ATOM 1941 N ARG A 122 114.038 19.512 -8.311 1.00 1.00 N ATOM 1942 CA ARG A 122 114.671 18.258 -8.710 1.00 1.00 C ATOM 1943 C ARG A 122 115.593 18.489 -9.907 1.00 1.00 C ATOM 1944 O ARG A 122 115.294 19.296 -10.788 1.00 1.00 O ATOM 1945 CB ARG A 122 113.599 17.219 -9.040 1.00 1.00 C ATOM 1946 CG ARG A 122 112.716 17.719 -10.181 1.00 1.00 C ATOM 1947 CD ARG A 122 111.601 16.704 -10.427 1.00 1.00 C ATOM 1948 NE ARG A 122 110.736 17.153 -11.508 1.00 1.00 N ATOM 1949 CZ ARG A 122 111.025 16.875 -12.774 1.00 1.00 C ATOM 1950 NH1 ARG A 122 112.113 16.219 -13.067 1.00 1.00 N ATOM 1951 NH2 ARG A 122 110.224 17.266 -13.725 1.00 1.00 N ATOM 0 H ARG A 122 113.898 20.179 -9.070 1.00 1.00 H new ATOM 0 HA ARG A 122 115.275 17.882 -7.884 1.00 1.00 H new ATOM 0 HB2 ARG A 122 114.069 16.276 -9.320 1.00 1.00 H new ATOM 0 HB3 ARG A 122 112.990 17.021 -8.158 1.00 1.00 H new ATOM 0 HG2 ARG A 122 112.292 18.691 -9.931 1.00 1.00 H new ATOM 0 HG3 ARG A 122 113.309 17.853 -11.085 1.00 1.00 H new ATOM 0 HD2 ARG A 122 112.032 15.734 -10.676 1.00 1.00 H new ATOM 0 HD3 ARG A 122 111.016 16.569 -9.517 1.00 1.00 H new ATOM 0 HE ARG A 122 109.896 17.689 -11.290 1.00 1.00 H new ATOM 0 HH11 ARG A 122 112.743 15.919 -12.323 1.00 1.00 H new ATOM 0 HH12 ARG A 122 112.334 16.006 -14.040 1.00 1.00 H new ATOM 0 HH21 ARG A 122 109.376 17.785 -13.496 1.00 1.00 H new ATOM 0 HH22 ARG A 122 110.445 17.053 -14.698 1.00 1.00 H new ATOM 1965 N MET A 123 116.707 17.754 -9.939 1.00 1.00 N ATOM 1966 CA MET A 123 117.649 17.872 -11.044 1.00 1.00 C ATOM 1967 C MET A 123 118.331 16.540 -11.341 1.00 1.00 C ATOM 1968 O MET A 123 118.367 15.642 -10.499 1.00 1.00 O ATOM 1969 CB MET A 123 118.742 18.886 -10.724 1.00 1.00 C ATOM 1970 CG MET A 123 118.143 20.266 -10.438 1.00 1.00 C ATOM 1971 SD MET A 123 119.474 21.493 -10.438 1.00 1.00 S ATOM 1972 CE MET A 123 120.057 21.210 -8.751 1.00 1.00 C ATOM 0 H MET A 123 116.973 17.080 -9.221 1.00 1.00 H new ATOM 0 HA MET A 123 117.071 18.195 -11.909 1.00 1.00 H new ATOM 0 HB2 MET A 123 119.315 18.548 -9.860 1.00 1.00 H new ATOM 0 HB3 MET A 123 119.437 18.954 -11.561 1.00 1.00 H new ATOM 0 HG2 MET A 123 117.398 20.518 -11.193 1.00 1.00 H new ATOM 0 HG3 MET A 123 117.632 20.263 -9.475 1.00 1.00 H new ATOM 0 HE1 MET A 123 121.116 21.458 -8.686 1.00 1.00 H new ATOM 0 HE2 MET A 123 119.494 21.839 -8.061 1.00 1.00 H new ATOM 0 HE3 MET A 123 119.913 20.162 -8.487 1.00 1.00 H new ATOM 1982 N GLY A 124 118.886 16.438 -12.542 1.00 1.00 N ATOM 1983 CA GLY A 124 119.590 15.227 -12.961 1.00 1.00 C ATOM 1984 C GLY A 124 121.030 15.559 -13.330 1.00 1.00 C ATOM 1985 O GLY A 124 121.653 16.423 -12.712 1.00 1.00 O ATOM 0 H GLY A 124 118.864 17.177 -13.245 1.00 1.00 H new ATOM 0 HA2 GLY A 124 119.573 14.491 -12.157 1.00 1.00 H new ATOM 0 HA3 GLY A 124 119.082 14.779 -13.815 1.00 1.00 H new ATOM 1989 N PHE A 125 121.548 14.898 -14.357 1.00 1.00 N ATOM 1990 CA PHE A 125 122.904 15.170 -14.805 1.00 1.00 C ATOM 1991 C PHE A 125 122.875 16.367 -15.744 1.00 1.00 C ATOM 1992 O PHE A 125 122.106 16.389 -16.705 1.00 1.00 O ATOM 1993 CB PHE A 125 123.475 13.944 -15.525 1.00 1.00 C ATOM 1994 CG PHE A 125 124.751 14.311 -16.254 1.00 1.00 C ATOM 1995 CD1 PHE A 125 125.873 14.744 -15.536 1.00 1.00 C ATOM 1996 CD2 PHE A 125 124.815 14.206 -17.651 1.00 1.00 C ATOM 1997 CE1 PHE A 125 127.056 15.073 -16.212 1.00 1.00 C ATOM 1998 CE2 PHE A 125 125.998 14.535 -18.326 1.00 1.00 C ATOM 1999 CZ PHE A 125 127.117 14.967 -17.607 1.00 1.00 C ATOM 0 H PHE A 125 121.056 14.179 -14.888 1.00 1.00 H new ATOM 0 HA PHE A 125 123.541 15.391 -13.948 1.00 1.00 H new ATOM 0 HB2 PHE A 125 123.675 13.151 -14.805 1.00 1.00 H new ATOM 0 HB3 PHE A 125 122.743 13.555 -16.232 1.00 1.00 H new ATOM 0 HD1 PHE A 125 125.827 14.824 -14.460 1.00 1.00 H new ATOM 0 HD2 PHE A 125 123.952 13.871 -18.207 1.00 1.00 H new ATOM 0 HE1 PHE A 125 127.920 15.408 -15.657 1.00 1.00 H new ATOM 0 HE2 PHE A 125 126.046 14.455 -19.402 1.00 1.00 H new ATOM 0 HZ PHE A 125 128.029 15.219 -18.128 1.00 1.00 H new ATOM 2009 N GLU A 126 123.713 17.359 -15.473 1.00 1.00 N ATOM 2010 CA GLU A 126 123.771 18.550 -16.309 1.00 1.00 C ATOM 2011 C GLU A 126 125.210 19.060 -16.380 1.00 1.00 C ATOM 2012 O GLU A 126 125.910 19.060 -15.367 1.00 1.00 O ATOM 2013 CB GLU A 126 122.873 19.646 -15.727 1.00 1.00 C ATOM 2014 CG GLU A 126 121.478 19.082 -15.459 1.00 1.00 C ATOM 2015 CD GLU A 126 120.511 20.220 -15.151 1.00 1.00 C ATOM 2016 OE1 GLU A 126 120.748 21.317 -15.630 1.00 1.00 O ATOM 2017 OE2 GLU A 126 119.548 19.978 -14.441 1.00 1.00 O ATOM 0 H GLU A 126 124.359 17.363 -14.684 1.00 1.00 H new ATOM 0 HA GLU A 126 123.423 18.295 -17.310 1.00 1.00 H new ATOM 0 HB2 GLU A 126 123.304 20.030 -14.802 1.00 1.00 H new ATOM 0 HB3 GLU A 126 122.810 20.484 -16.421 1.00 1.00 H new ATOM 0 HG2 GLU A 126 121.130 18.521 -16.326 1.00 1.00 H new ATOM 0 HG3 GLU A 126 121.512 18.385 -14.622 1.00 1.00 H new ATOM 2024 N PRO A 127 125.678 19.493 -17.527 1.00 1.00 N ATOM 2025 CA PRO A 127 127.067 20.004 -17.663 1.00 1.00 C ATOM 2026 C PRO A 127 127.248 21.383 -17.035 1.00 1.00 C ATOM 2027 O PRO A 127 126.284 22.124 -16.842 1.00 1.00 O ATOM 2028 CB PRO A 127 127.289 20.051 -19.171 1.00 1.00 C ATOM 2029 CG PRO A 127 125.939 20.270 -19.743 1.00 1.00 C ATOM 2030 CD PRO A 127 124.960 19.549 -18.815 1.00 1.00 C ATOM 0 HA PRO A 127 127.785 19.371 -17.142 1.00 1.00 H new ATOM 0 HB2 PRO A 127 127.971 20.856 -19.446 1.00 1.00 H new ATOM 0 HB3 PRO A 127 127.728 19.122 -19.536 1.00 1.00 H new ATOM 0 HG2 PRO A 127 125.709 21.334 -19.801 1.00 1.00 H new ATOM 0 HG3 PRO A 127 125.877 19.875 -20.757 1.00 1.00 H new ATOM 0 HD2 PRO A 127 124.019 20.092 -18.726 1.00 1.00 H new ATOM 0 HD3 PRO A 127 124.719 18.552 -19.183 1.00 1.00 H new ATOM 2038 N GLY A 128 128.495 21.707 -16.721 1.00 1.00 N ATOM 2039 CA GLY A 128 128.802 22.994 -16.109 1.00 1.00 C ATOM 2040 C GLY A 128 129.669 22.832 -14.878 1.00 1.00 C ATOM 2041 O GLY A 128 130.395 23.761 -14.525 1.00 1.00 O ATOM 0 H GLY A 128 129.303 21.104 -16.877 1.00 1.00 H new ATOM 0 HA2 GLY A 128 129.312 23.630 -16.833 1.00 1.00 H new ATOM 0 HA3 GLY A 128 127.875 23.499 -15.838 1.00 1.00 H new ATOM 2045 N GLY A 129 129.643 21.674 -14.225 1.00 1.00 N ATOM 2046 CA GLY A 129 130.486 21.470 -13.064 1.00 1.00 C ATOM 2047 C GLY A 129 129.766 21.753 -11.748 1.00 1.00 C ATOM 2048 O GLY A 129 128.576 22.070 -11.720 1.00 1.00 O ATOM 0 H GLY A 129 129.057 20.879 -14.478 1.00 1.00 H new ATOM 0 HA2 GLY A 129 130.848 20.442 -13.060 1.00 1.00 H new ATOM 0 HA3 GLY A 129 131.361 22.115 -13.139 1.00 1.00 H new ATOM 2052 N GLY A 130 130.497 21.551 -10.656 1.00 1.00 N ATOM 2053 CA GLY A 130 129.933 21.692 -9.318 1.00 1.00 C ATOM 2054 C GLY A 130 129.428 23.090 -8.984 1.00 1.00 C ATOM 2055 O GLY A 130 128.358 23.228 -8.399 1.00 1.00 O ATOM 0 H GLY A 130 131.483 21.289 -10.672 1.00 1.00 H new ATOM 0 HA2 GLY A 130 129.109 20.987 -9.210 1.00 1.00 H new ATOM 0 HA3 GLY A 130 130.691 21.410 -8.587 1.00 1.00 H new ATOM 2059 N ALA A 131 130.193 24.116 -9.329 1.00 1.00 N ATOM 2060 CA ALA A 131 129.802 25.484 -9.021 1.00 1.00 C ATOM 2061 C ALA A 131 128.493 25.845 -9.703 1.00 1.00 C ATOM 2062 O ALA A 131 127.599 26.438 -9.092 1.00 1.00 O ATOM 2063 CB ALA A 131 130.890 26.442 -9.506 1.00 1.00 C ATOM 0 H ALA A 131 131.083 24.028 -9.820 1.00 1.00 H new ATOM 0 HA ALA A 131 129.671 25.567 -7.942 1.00 1.00 H new ATOM 0 HB1 ALA A 131 130.600 27.468 -9.277 1.00 1.00 H new ATOM 0 HB2 ALA A 131 131.829 26.210 -9.004 1.00 1.00 H new ATOM 0 HB3 ALA A 131 131.017 26.333 -10.583 1.00 1.00 H new ATOM 2069 N ALA A 132 128.391 25.517 -10.973 1.00 1.00 N ATOM 2070 CA ALA A 132 127.201 25.842 -11.732 1.00 1.00 C ATOM 2071 C ALA A 132 125.962 25.119 -11.191 1.00 1.00 C ATOM 2072 O ALA A 132 124.864 25.678 -11.186 1.00 1.00 O ATOM 2073 CB ALA A 132 127.426 25.482 -13.198 1.00 1.00 C ATOM 0 H ALA A 132 129.114 25.028 -11.501 1.00 1.00 H new ATOM 0 HA ALA A 132 127.016 26.912 -11.636 1.00 1.00 H new ATOM 0 HB1 ALA A 132 126.533 25.725 -13.774 1.00 1.00 H new ATOM 0 HB2 ALA A 132 128.273 26.048 -13.586 1.00 1.00 H new ATOM 0 HB3 ALA A 132 127.633 24.415 -13.283 1.00 1.00 H new ATOM 2079 N TYR A 133 126.137 23.875 -10.755 1.00 1.00 N ATOM 2080 CA TYR A 133 125.028 23.076 -10.233 1.00 1.00 C ATOM 2081 C TYR A 133 124.421 23.726 -8.994 1.00 1.00 C ATOM 2082 O TYR A 133 123.201 23.733 -8.827 1.00 1.00 O ATOM 2083 CB TYR A 133 125.543 21.677 -9.887 1.00 1.00 C ATOM 2084 CG TYR A 133 124.395 20.764 -9.514 1.00 1.00 C ATOM 2085 CD1 TYR A 133 123.580 20.225 -10.516 1.00 1.00 C ATOM 2086 CD2 TYR A 133 124.158 20.440 -8.171 1.00 1.00 C ATOM 2087 CE1 TYR A 133 122.530 19.362 -10.180 1.00 1.00 C ATOM 2088 CE2 TYR A 133 123.104 19.579 -7.834 1.00 1.00 C ATOM 2089 CZ TYR A 133 122.291 19.040 -8.839 1.00 1.00 C ATOM 2090 OH TYR A 133 121.258 18.184 -8.509 1.00 1.00 O ATOM 0 H TYR A 133 127.037 23.396 -10.752 1.00 1.00 H new ATOM 0 HA TYR A 133 124.250 23.011 -10.994 1.00 1.00 H new ATOM 0 HB2 TYR A 133 126.083 21.262 -10.738 1.00 1.00 H new ATOM 0 HB3 TYR A 133 126.250 21.738 -9.059 1.00 1.00 H new ATOM 0 HD1 TYR A 133 123.761 20.475 -11.551 1.00 1.00 H new ATOM 0 HD2 TYR A 133 124.787 20.853 -7.396 1.00 1.00 H new ATOM 0 HE1 TYR A 133 121.905 18.945 -10.955 1.00 1.00 H new ATOM 0 HE2 TYR A 133 122.919 19.331 -6.799 1.00 1.00 H new ATOM 0 HH TYR A 133 120.914 18.414 -7.621 1.00 1.00 H new ATOM 2100 N VAL A 134 125.268 24.252 -8.116 1.00 1.00 N ATOM 2101 CA VAL A 134 124.767 24.870 -6.900 1.00 1.00 C ATOM 2102 C VAL A 134 123.947 26.106 -7.232 1.00 1.00 C ATOM 2103 O VAL A 134 122.950 26.391 -6.592 1.00 1.00 O ATOM 2104 CB VAL A 134 125.904 25.229 -5.937 1.00 1.00 C ATOM 2105 CG1 VAL A 134 127.119 24.345 -6.184 1.00 1.00 C ATOM 2106 CG2 VAL A 134 126.299 26.703 -6.077 1.00 1.00 C ATOM 0 H VAL A 134 126.282 24.263 -8.221 1.00 1.00 H new ATOM 0 HA VAL A 134 124.127 24.142 -6.401 1.00 1.00 H new ATOM 0 HB VAL A 134 125.543 25.060 -4.923 1.00 1.00 H new ATOM 0 HG11 VAL A 134 127.914 24.617 -5.490 1.00 1.00 H new ATOM 0 HG12 VAL A 134 126.846 23.301 -6.032 1.00 1.00 H new ATOM 0 HG13 VAL A 134 127.468 24.484 -7.207 1.00 1.00 H new ATOM 0 HG21 VAL A 134 127.108 26.931 -5.382 1.00 1.00 H new ATOM 0 HG22 VAL A 134 126.632 26.895 -7.097 1.00 1.00 H new ATOM 0 HG23 VAL A 134 125.439 27.333 -5.851 1.00 1.00 H new ATOM 2116 N SER A 135 124.360 26.861 -8.220 1.00 1.00 N ATOM 2117 CA SER A 135 123.606 28.047 -8.565 1.00 1.00 C ATOM 2118 C SER A 135 122.170 27.657 -8.904 1.00 1.00 C ATOM 2119 O SER A 135 121.213 28.319 -8.499 1.00 1.00 O ATOM 2120 CB SER A 135 124.245 28.739 -9.769 1.00 1.00 C ATOM 2121 OG SER A 135 123.360 29.737 -10.261 1.00 1.00 O ATOM 0 H SER A 135 125.190 26.686 -8.787 1.00 1.00 H new ATOM 0 HA SER A 135 123.608 28.731 -7.717 1.00 1.00 H new ATOM 0 HB2 SER A 135 125.196 29.189 -9.482 1.00 1.00 H new ATOM 0 HB3 SER A 135 124.460 28.010 -10.550 1.00 1.00 H new ATOM 0 HG SER A 135 123.767 30.184 -11.032 1.00 1.00 H new ATOM 2127 N LYS A 136 122.038 26.581 -9.674 1.00 1.00 N ATOM 2128 CA LYS A 136 120.725 26.105 -10.099 1.00 1.00 C ATOM 2129 C LYS A 136 119.866 25.611 -8.928 1.00 1.00 C ATOM 2130 O LYS A 136 118.674 25.911 -8.864 1.00 1.00 O ATOM 2131 CB LYS A 136 120.883 24.978 -11.122 1.00 1.00 C ATOM 2132 CG LYS A 136 121.504 25.524 -12.412 1.00 1.00 C ATOM 2133 CD LYS A 136 121.615 24.391 -13.437 1.00 1.00 C ATOM 2134 CE LYS A 136 122.299 24.902 -14.709 1.00 1.00 C ATOM 2135 NZ LYS A 136 121.422 25.901 -15.383 1.00 1.00 N ATOM 0 H LYS A 136 122.821 26.024 -10.016 1.00 1.00 H new ATOM 0 HA LYS A 136 120.211 26.955 -10.547 1.00 1.00 H new ATOM 0 HB2 LYS A 136 121.513 24.189 -10.711 1.00 1.00 H new ATOM 0 HB3 LYS A 136 119.912 24.532 -11.337 1.00 1.00 H new ATOM 0 HG2 LYS A 136 120.891 26.332 -12.811 1.00 1.00 H new ATOM 0 HG3 LYS A 136 122.489 25.942 -12.207 1.00 1.00 H new ATOM 0 HD2 LYS A 136 122.184 23.562 -13.016 1.00 1.00 H new ATOM 0 HD3 LYS A 136 120.623 24.007 -13.676 1.00 1.00 H new ATOM 0 HE2 LYS A 136 123.259 25.355 -14.461 1.00 1.00 H new ATOM 0 HE3 LYS A 136 122.504 24.070 -15.383 1.00 1.00 H new ATOM 0 HZ1 LYS A 136 121.766 26.069 -16.350 1.00 1.00 H new ATOM 0 HZ2 LYS A 136 120.448 25.539 -15.420 1.00 1.00 H new ATOM 0 HZ3 LYS A 136 121.439 26.794 -14.850 1.00 1.00 H new ATOM 2149 N VAL A 137 120.462 24.855 -8.005 1.00 1.00 N ATOM 2150 CA VAL A 137 119.707 24.341 -6.863 1.00 1.00 C ATOM 2151 C VAL A 137 119.248 25.493 -5.985 1.00 1.00 C ATOM 2152 O VAL A 137 118.125 25.498 -5.480 1.00 1.00 O ATOM 2153 CB VAL A 137 120.544 23.317 -6.065 1.00 1.00 C ATOM 2154 CG1 VAL A 137 121.507 24.017 -5.140 1.00 1.00 C ATOM 2155 CG2 VAL A 137 119.627 22.434 -5.219 1.00 1.00 C ATOM 0 H VAL A 137 121.447 24.589 -8.024 1.00 1.00 H new ATOM 0 HA VAL A 137 118.823 23.819 -7.229 1.00 1.00 H new ATOM 0 HB VAL A 137 121.098 22.711 -6.782 1.00 1.00 H new ATOM 0 HG11 VAL A 137 122.086 23.276 -4.588 1.00 1.00 H new ATOM 0 HG12 VAL A 137 122.182 24.643 -5.723 1.00 1.00 H new ATOM 0 HG13 VAL A 137 120.951 24.639 -4.438 1.00 1.00 H new ATOM 0 HG21 VAL A 137 120.227 21.716 -4.661 1.00 1.00 H new ATOM 0 HG22 VAL A 137 119.064 23.056 -4.523 1.00 1.00 H new ATOM 0 HG23 VAL A 137 118.935 21.900 -5.870 1.00 1.00 H new ATOM 2165 N LYS A 138 120.132 26.459 -5.799 1.00 1.00 N ATOM 2166 CA LYS A 138 119.819 27.605 -4.969 1.00 1.00 C ATOM 2167 C LYS A 138 118.625 28.369 -5.540 1.00 1.00 C ATOM 2168 O LYS A 138 117.737 28.782 -4.795 1.00 1.00 O ATOM 2169 CB LYS A 138 121.044 28.514 -4.859 1.00 1.00 C ATOM 2170 CG LYS A 138 122.119 27.797 -4.033 1.00 1.00 C ATOM 2171 CD LYS A 138 123.442 28.567 -4.108 1.00 1.00 C ATOM 2172 CE LYS A 138 123.291 29.916 -3.407 1.00 1.00 C ATOM 2173 NZ LYS A 138 124.637 30.478 -3.106 1.00 1.00 N ATOM 0 H LYS A 138 121.066 26.471 -6.210 1.00 1.00 H new ATOM 0 HA LYS A 138 119.550 27.259 -3.971 1.00 1.00 H new ATOM 0 HB2 LYS A 138 121.427 28.753 -5.851 1.00 1.00 H new ATOM 0 HB3 LYS A 138 120.772 29.458 -4.387 1.00 1.00 H new ATOM 0 HG2 LYS A 138 121.796 27.714 -2.995 1.00 1.00 H new ATOM 0 HG3 LYS A 138 122.258 26.782 -4.406 1.00 1.00 H new ATOM 0 HD2 LYS A 138 124.238 27.989 -3.638 1.00 1.00 H new ATOM 0 HD3 LYS A 138 123.729 28.717 -5.149 1.00 1.00 H new ATOM 0 HE2 LYS A 138 122.732 30.605 -4.040 1.00 1.00 H new ATOM 0 HE3 LYS A 138 122.722 29.796 -2.485 1.00 1.00 H new ATOM 0 HZ1 LYS A 138 124.531 31.396 -2.629 1.00 1.00 H new ATOM 0 HZ2 LYS A 138 125.156 29.824 -2.486 1.00 1.00 H new ATOM 0 HZ3 LYS A 138 125.165 30.607 -3.992 1.00 1.00 H new ATOM 2187 N SER A 139 118.600 28.558 -6.856 1.00 1.00 N ATOM 2188 CA SER A 139 117.500 29.275 -7.486 1.00 1.00 C ATOM 2189 C SER A 139 116.210 28.484 -7.352 1.00 1.00 C ATOM 2190 O SER A 139 115.137 29.042 -7.130 1.00 1.00 O ATOM 2191 CB SER A 139 117.796 29.511 -8.970 1.00 1.00 C ATOM 2192 OG SER A 139 119.032 30.200 -9.101 1.00 1.00 O ATOM 0 H SER A 139 119.320 28.229 -7.499 1.00 1.00 H new ATOM 0 HA SER A 139 117.389 30.236 -6.984 1.00 1.00 H new ATOM 0 HB2 SER A 139 117.840 28.559 -9.499 1.00 1.00 H new ATOM 0 HB3 SER A 139 116.993 30.092 -9.424 1.00 1.00 H new ATOM 0 HG SER A 139 119.771 29.583 -8.918 1.00 1.00 H new ATOM 2198 N ALA A 140 116.328 27.174 -7.508 1.00 1.00 N ATOM 2199 CA ALA A 140 115.175 26.293 -7.435 1.00 1.00 C ATOM 2200 C ALA A 140 114.569 26.272 -6.034 1.00 1.00 C ATOM 2201 O ALA A 140 113.349 26.223 -5.883 1.00 1.00 O ATOM 2202 CB ALA A 140 115.592 24.885 -7.859 1.00 1.00 C ATOM 0 H ALA A 140 117.212 26.698 -7.686 1.00 1.00 H new ATOM 0 HA ALA A 140 114.408 26.670 -8.111 1.00 1.00 H new ATOM 0 HB1 ALA A 140 114.731 24.219 -7.806 1.00 1.00 H new ATOM 0 HB2 ALA A 140 115.970 24.910 -8.881 1.00 1.00 H new ATOM 0 HB3 ALA A 140 116.374 24.521 -7.192 1.00 1.00 H new ATOM 2208 N LEU A 141 115.415 26.292 -5.015 1.00 1.00 N ATOM 2209 CA LEU A 141 114.928 26.257 -3.639 1.00 1.00 C ATOM 2210 C LEU A 141 114.665 27.648 -3.067 1.00 1.00 C ATOM 2211 O LEU A 141 114.200 27.764 -1.933 1.00 1.00 O ATOM 2212 CB LEU A 141 115.917 25.516 -2.732 1.00 1.00 C ATOM 2213 CG LEU A 141 115.529 24.036 -2.597 1.00 1.00 C ATOM 2214 CD1 LEU A 141 115.274 23.420 -3.968 1.00 1.00 C ATOM 2215 CD2 LEU A 141 116.668 23.278 -1.912 1.00 1.00 C ATOM 0 H LEU A 141 116.430 26.332 -5.109 1.00 1.00 H new ATOM 0 HA LEU A 141 113.977 25.725 -3.667 1.00 1.00 H new ATOM 0 HB2 LEU A 141 116.924 25.597 -3.142 1.00 1.00 H new ATOM 0 HB3 LEU A 141 115.935 25.983 -1.747 1.00 1.00 H new ATOM 0 HG LEU A 141 114.617 23.966 -2.004 1.00 1.00 H new ATOM 0 HD11 LEU A 141 115.001 22.371 -3.851 1.00 1.00 H new ATOM 0 HD12 LEU A 141 114.462 23.954 -4.461 1.00 1.00 H new ATOM 0 HD13 LEU A 141 116.177 23.494 -4.574 1.00 1.00 H new ATOM 0 HD21 LEU A 141 116.398 22.227 -1.814 1.00 1.00 H new ATOM 0 HD22 LEU A 141 117.575 23.365 -2.511 1.00 1.00 H new ATOM 0 HD23 LEU A 141 116.844 23.702 -0.923 1.00 1.00 H new ATOM 2227 N LYS A 142 114.956 28.704 -3.833 1.00 1.00 N ATOM 2228 CA LYS A 142 114.738 30.074 -3.367 1.00 1.00 C ATOM 2229 C LYS A 142 115.610 30.375 -2.150 1.00 1.00 C ATOM 2230 O LYS A 142 115.128 30.897 -1.144 1.00 1.00 O ATOM 2231 CB LYS A 142 113.262 30.289 -2.998 1.00 1.00 C ATOM 2232 CG LYS A 142 112.331 29.749 -4.097 1.00 1.00 C ATOM 2233 CD LYS A 142 112.469 30.572 -5.384 1.00 1.00 C ATOM 2234 CE LYS A 142 111.474 30.049 -6.420 1.00 1.00 C ATOM 2235 NZ LYS A 142 111.560 30.873 -7.661 1.00 1.00 N ATOM 0 H LYS A 142 115.342 28.635 -4.775 1.00 1.00 H new ATOM 0 HA LYS A 142 115.009 30.750 -4.178 1.00 1.00 H new ATOM 0 HB2 LYS A 142 113.044 29.789 -2.054 1.00 1.00 H new ATOM 0 HB3 LYS A 142 113.073 31.352 -2.847 1.00 1.00 H new ATOM 0 HG2 LYS A 142 112.569 28.705 -4.301 1.00 1.00 H new ATOM 0 HG3 LYS A 142 111.298 29.778 -3.751 1.00 1.00 H new ATOM 0 HD2 LYS A 142 112.280 31.626 -5.179 1.00 1.00 H new ATOM 0 HD3 LYS A 142 113.486 30.500 -5.769 1.00 1.00 H new ATOM 0 HE2 LYS A 142 111.688 29.005 -6.649 1.00 1.00 H new ATOM 0 HE3 LYS A 142 110.462 30.086 -6.017 1.00 1.00 H new ATOM 0 HZ1 LYS A 142 110.882 30.515 -8.363 1.00 1.00 H new ATOM 0 HZ2 LYS A 142 111.335 31.863 -7.437 1.00 1.00 H new ATOM 0 HZ3 LYS A 142 112.523 30.816 -8.049 1.00 1.00 H new ATOM 2249 N LEU A 143 116.901 30.070 -2.258 1.00 1.00 N ATOM 2250 CA LEU A 143 117.847 30.336 -1.178 1.00 1.00 C ATOM 2251 C LEU A 143 118.625 31.610 -1.490 1.00 1.00 C ATOM 2252 O LEU A 143 119.283 31.710 -2.524 1.00 1.00 O ATOM 2253 CB LEU A 143 118.844 29.177 -1.049 1.00 1.00 C ATOM 2254 CG LEU A 143 118.335 28.027 -0.141 1.00 1.00 C ATOM 2255 CD1 LEU A 143 116.805 27.948 -0.062 1.00 1.00 C ATOM 2256 CD2 LEU A 143 118.855 26.702 -0.699 1.00 1.00 C ATOM 0 H LEU A 143 117.316 29.638 -3.084 1.00 1.00 H new ATOM 0 HA LEU A 143 117.292 30.447 -0.246 1.00 1.00 H new ATOM 0 HB2 LEU A 143 119.058 28.779 -2.041 1.00 1.00 H new ATOM 0 HB3 LEU A 143 119.783 29.558 -0.648 1.00 1.00 H new ATOM 0 HG LEU A 143 118.703 28.225 0.866 1.00 1.00 H new ATOM 0 HD11 LEU A 143 116.516 27.123 0.589 1.00 1.00 H new ATOM 0 HD12 LEU A 143 116.413 28.882 0.341 1.00 1.00 H new ATOM 0 HD13 LEU A 143 116.397 27.783 -1.059 1.00 1.00 H new ATOM 0 HD21 LEU A 143 118.506 25.881 -0.072 1.00 1.00 H new ATOM 0 HD22 LEU A 143 118.485 26.565 -1.715 1.00 1.00 H new ATOM 0 HD23 LEU A 143 119.945 26.714 -0.708 1.00 1.00 H new