USER MOD reduce.3.24.130724 H: found=0, std=0, add=604, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 603 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 100 HIS : no HE2:sc= 0.567 K(o=1.2,f=-0.0035) USER MOD Set 1.2: A 120 GLN : amide:sc= 0.648 K(o=1.2,f=0) USER MOD Set 2.1: A 104 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 118 SER OG : rot 180:sc= 0 USER MOD Single : A 101 MET CE :methyl -165:sc= -0.0118 (180deg=-0.127) USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 107 CYS SG : rot 180:sc= 0 USER MOD Single : A 113 SER OG : rot 180:sc= -0.0079 USER MOD Single : A 116 THR OG1 : rot 180:sc= 0 USER MOD Single : A 128 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 129 ASN : amide:sc= -0.0144 K(o=-0.014,f=-0.68) USER MOD Single : A 134 CYS SG : rot 70:sc= 0.71 USER MOD Single : A 138 SER OG : rot -80:sc= 1.2 USER MOD Single : A 145 SER OG : rot -42:sc= 0.448 USER MOD Single : A 146 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 149 TYR OH : rot 180:sc= 0 USER MOD Single : A 155 THR OG1 : rot 180:sc= 0 USER MOD Single : A 157 ASN : amide:sc= 0.0352 K(o=0.035,f=-2!) USER MOD Single : A 158 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 160 SER OG : rot 180:sc= 0 USER MOD Single : A 163 SER OG : rot -24:sc= 0.261 USER MOD Single : A 164 TYR OH : rot 60:sc= 0.369 USER MOD Single : A 167 LYS NZ :NH3+ 152:sc= 1.27 (180deg=-0.204) USER MOD Single : A 176 GLN : amide:sc= -0.484 K(o=-0.48,f=-4.8!) USER MOD ----------------------------------------------------------------- ATOM 306 N HIS A 100 62.248 8.763 -11.200 1.00 25.00 N ATOM 307 CA HIS A 100 62.706 10.056 -10.705 1.00 25.00 C ATOM 308 C HIS A 100 63.820 9.737 -9.718 1.00 25.00 C ATOM 309 O HIS A 100 64.072 8.561 -9.441 1.00 25.00 O ATOM 310 CB HIS A 100 61.573 10.817 -10.006 1.00 25.00 C ATOM 311 CG HIS A 100 61.177 10.227 -8.686 1.00 25.00 C ATOM 312 ND1 HIS A 100 60.440 9.080 -8.533 1.00 25.00 N ATOM 313 CD2 HIS A 100 61.435 10.653 -7.420 1.00 25.00 C ATOM 314 CE1 HIS A 100 60.277 8.860 -7.234 1.00 25.00 C ATOM 315 NE2 HIS A 100 60.870 9.785 -6.504 1.00 25.00 N ATOM 0 HA HIS A 100 63.048 10.695 -11.519 1.00 25.00 H new ATOM 0 HB2 HIS A 100 61.881 11.851 -9.854 1.00 25.00 H new ATOM 0 HB3 HIS A 100 60.702 10.837 -10.661 1.00 25.00 H new ATOM 0 HD1 HIS A 100 60.079 8.496 -9.288 1.00 25.00 H new ATOM 0 HD2 HIS A 100 61.998 11.539 -7.168 1.00 25.00 H new ATOM 0 HE1 HIS A 100 59.726 8.026 -6.825 1.00 25.00 H new ATOM 323 N MET A 101 64.468 10.758 -9.184 1.00 25.00 N ATOM 324 CA MET A 101 65.529 10.586 -8.197 1.00 25.00 C ATOM 325 C MET A 101 65.321 11.611 -7.085 1.00 25.00 C ATOM 326 O MET A 101 64.596 12.594 -7.264 1.00 25.00 O ATOM 327 CB MET A 101 66.897 10.750 -8.876 1.00 25.00 C ATOM 328 CG MET A 101 67.130 12.127 -9.472 1.00 25.00 C ATOM 329 SD MET A 101 68.650 12.154 -10.405 1.00 25.00 S ATOM 330 CE MET A 101 68.802 13.911 -10.742 1.00 25.00 C ATOM 0 H MET A 101 64.276 11.732 -9.420 1.00 25.00 H new ATOM 0 HA MET A 101 65.499 9.587 -7.762 1.00 25.00 H new ATOM 0 HB2 MET A 101 67.680 10.544 -8.146 1.00 25.00 H new ATOM 0 HB3 MET A 101 66.992 10.003 -9.665 1.00 25.00 H new ATOM 0 HG2 MET A 101 66.295 12.396 -10.118 1.00 25.00 H new ATOM 0 HG3 MET A 101 67.171 12.872 -8.677 1.00 25.00 H new ATOM 0 HE1 MET A 101 69.540 14.068 -11.529 1.00 25.00 H new ATOM 0 HE2 MET A 101 67.838 14.304 -11.065 1.00 25.00 H new ATOM 0 HE3 MET A 101 69.121 14.429 -9.837 1.00 25.00 H new ATOM 340 N LEU A 102 65.926 11.358 -5.932 1.00 25.00 N ATOM 341 CA LEU A 102 65.781 12.225 -4.764 1.00 25.00 C ATOM 342 C LEU A 102 67.128 12.852 -4.423 1.00 25.00 C ATOM 343 O LEU A 102 68.096 12.139 -4.190 1.00 25.00 O ATOM 344 CB LEU A 102 65.279 11.397 -3.570 1.00 25.00 C ATOM 345 CG LEU A 102 64.935 12.171 -2.284 1.00 25.00 C ATOM 346 CD1 LEU A 102 63.620 12.941 -2.440 1.00 25.00 C ATOM 347 CD2 LEU A 102 64.814 11.200 -1.106 1.00 25.00 C ATOM 0 H LEU A 102 66.529 10.550 -5.777 1.00 25.00 H new ATOM 0 HA LEU A 102 65.062 13.014 -4.985 1.00 25.00 H new ATOM 0 HB2 LEU A 102 64.390 10.850 -3.885 1.00 25.00 H new ATOM 0 HB3 LEU A 102 66.040 10.655 -3.327 1.00 25.00 H new ATOM 0 HG LEU A 102 65.738 12.884 -2.095 1.00 25.00 H new ATOM 0 HD11 LEU A 102 63.401 13.478 -1.517 1.00 25.00 H new ATOM 0 HD12 LEU A 102 63.710 13.652 -3.261 1.00 25.00 H new ATOM 0 HD13 LEU A 102 62.812 12.241 -2.653 1.00 25.00 H new ATOM 0 HD21 LEU A 102 64.571 11.755 -0.200 1.00 25.00 H new ATOM 0 HD22 LEU A 102 64.025 10.476 -1.311 1.00 25.00 H new ATOM 0 HD23 LEU A 102 65.760 10.676 -0.967 1.00 25.00 H new ATOM 359 N LEU A 103 67.183 14.172 -4.389 1.00 25.00 N ATOM 360 CA LEU A 103 68.408 14.889 -4.022 1.00 25.00 C ATOM 361 C LEU A 103 68.179 15.572 -2.697 1.00 25.00 C ATOM 362 O LEU A 103 67.053 15.924 -2.381 1.00 25.00 O ATOM 363 CB LEU A 103 68.757 15.951 -5.071 1.00 25.00 C ATOM 364 CG LEU A 103 69.190 15.425 -6.447 1.00 25.00 C ATOM 365 CD1 LEU A 103 69.342 16.592 -7.417 1.00 25.00 C ATOM 366 CD2 LEU A 103 70.500 14.678 -6.363 1.00 25.00 C ATOM 0 H LEU A 103 66.393 14.778 -4.611 1.00 25.00 H new ATOM 0 HA LEU A 103 69.231 14.177 -3.961 1.00 25.00 H new ATOM 0 HB2 LEU A 103 67.889 16.596 -5.208 1.00 25.00 H new ATOM 0 HB3 LEU A 103 69.558 16.575 -4.674 1.00 25.00 H new ATOM 0 HG LEU A 103 68.422 14.737 -6.801 1.00 25.00 H new ATOM 0 HD11 LEU A 103 69.649 16.216 -8.393 1.00 25.00 H new ATOM 0 HD12 LEU A 103 68.389 17.112 -7.512 1.00 25.00 H new ATOM 0 HD13 LEU A 103 70.096 17.283 -7.040 1.00 25.00 H new ATOM 0 HD21 LEU A 103 70.778 14.319 -7.354 1.00 25.00 H new ATOM 0 HD22 LEU A 103 71.276 15.345 -5.988 1.00 25.00 H new ATOM 0 HD23 LEU A 103 70.393 13.830 -5.687 1.00 25.00 H new ATOM 378 N THR A 104 69.241 15.790 -1.939 1.00 25.00 N ATOM 379 CA THR A 104 69.150 16.495 -0.663 1.00 25.00 C ATOM 380 C THR A 104 69.777 17.867 -0.852 1.00 25.00 C ATOM 381 O THR A 104 70.825 17.979 -1.465 1.00 25.00 O ATOM 382 CB THR A 104 69.888 15.723 0.447 1.00 25.00 C ATOM 383 OG1 THR A 104 69.407 14.377 0.477 1.00 25.00 O ATOM 384 CG2 THR A 104 69.644 16.337 1.816 1.00 25.00 C ATOM 0 H THR A 104 70.184 15.488 -2.184 1.00 25.00 H new ATOM 0 HA THR A 104 68.107 16.584 -0.360 1.00 25.00 H new ATOM 0 HB THR A 104 70.955 15.763 0.227 1.00 25.00 H new ATOM 0 HG1 THR A 104 69.873 13.879 1.180 1.00 25.00 H new ATOM 0 HG21 THR A 104 70.181 15.765 2.572 1.00 25.00 H new ATOM 0 HG22 THR A 104 69.999 17.368 1.821 1.00 25.00 H new ATOM 0 HG23 THR A 104 68.577 16.320 2.038 1.00 25.00 H new ATOM 392 N VAL A 105 69.124 18.907 -0.358 1.00 25.00 N ATOM 393 CA VAL A 105 69.614 20.273 -0.506 1.00 25.00 C ATOM 394 C VAL A 105 69.735 20.903 0.881 1.00 25.00 C ATOM 395 O VAL A 105 68.787 20.882 1.670 1.00 25.00 O ATOM 396 CB VAL A 105 68.667 21.111 -1.392 1.00 25.00 C ATOM 397 CG1 VAL A 105 69.239 22.522 -1.618 1.00 25.00 C ATOM 398 CG2 VAL A 105 68.443 20.416 -2.752 1.00 25.00 C ATOM 0 H VAL A 105 68.245 18.832 0.154 1.00 25.00 H new ATOM 0 HA VAL A 105 70.589 20.252 -0.994 1.00 25.00 H new ATOM 0 HB VAL A 105 67.711 21.198 -0.875 1.00 25.00 H new ATOM 0 HG11 VAL A 105 68.556 23.095 -2.245 1.00 25.00 H new ATOM 0 HG12 VAL A 105 69.359 23.024 -0.658 1.00 25.00 H new ATOM 0 HG13 VAL A 105 70.208 22.447 -2.112 1.00 25.00 H new ATOM 0 HG21 VAL A 105 67.773 21.020 -3.364 1.00 25.00 H new ATOM 0 HG22 VAL A 105 69.398 20.302 -3.264 1.00 25.00 H new ATOM 0 HG23 VAL A 105 67.999 19.434 -2.590 1.00 25.00 H new ATOM 408 N TYR A 106 70.916 21.425 1.177 1.00 25.00 N ATOM 409 CA TYR A 106 71.213 22.020 2.476 1.00 25.00 C ATOM 410 C TYR A 106 71.408 23.528 2.304 1.00 25.00 C ATOM 411 O TYR A 106 72.360 23.959 1.663 1.00 25.00 O ATOM 412 CB TYR A 106 72.475 21.368 3.043 1.00 25.00 C ATOM 413 CG TYR A 106 72.601 21.458 4.545 1.00 25.00 C ATOM 414 CD1 TYR A 106 72.741 22.703 5.192 1.00 25.00 C ATOM 415 CD2 TYR A 106 72.588 20.288 5.336 1.00 25.00 C ATOM 416 CE1 TYR A 106 72.861 22.773 6.608 1.00 25.00 C ATOM 417 CE2 TYR A 106 72.710 20.357 6.746 1.00 25.00 C ATOM 418 CZ TYR A 106 72.843 21.603 7.366 1.00 25.00 C ATOM 419 OH TYR A 106 72.961 21.675 8.727 1.00 25.00 O ATOM 0 H TYR A 106 71.699 21.449 0.523 1.00 25.00 H new ATOM 0 HA TYR A 106 70.390 21.854 3.171 1.00 25.00 H new ATOM 0 HB2 TYR A 106 72.489 20.318 2.751 1.00 25.00 H new ATOM 0 HB3 TYR A 106 73.348 21.837 2.588 1.00 25.00 H new ATOM 0 HD1 TYR A 106 72.757 23.611 4.608 1.00 25.00 H new ATOM 0 HD2 TYR A 106 72.483 19.325 4.858 1.00 25.00 H new ATOM 0 HE1 TYR A 106 72.966 23.731 7.095 1.00 25.00 H new ATOM 0 HE2 TYR A 106 72.700 19.453 7.338 1.00 25.00 H new ATOM 0 HH TYR A 106 72.929 20.772 9.106 1.00 25.00 H new ATOM 429 N CYS A 107 70.498 24.323 2.844 1.00 25.00 N ATOM 430 CA CYS A 107 70.550 25.781 2.709 1.00 25.00 C ATOM 431 C CYS A 107 71.187 26.392 3.955 1.00 25.00 C ATOM 432 O CYS A 107 70.852 26.011 5.060 1.00 25.00 O ATOM 433 CB CYS A 107 69.132 26.336 2.533 1.00 25.00 C ATOM 434 SG CYS A 107 69.098 28.118 2.206 1.00 25.00 S ATOM 0 H CYS A 107 69.704 23.984 3.387 1.00 25.00 H new ATOM 0 HA CYS A 107 71.149 26.038 1.835 1.00 25.00 H new ATOM 0 HB2 CYS A 107 68.644 25.813 1.711 1.00 25.00 H new ATOM 0 HB3 CYS A 107 68.553 26.127 3.432 1.00 25.00 H new ATOM 0 HG CYS A 107 67.866 28.510 2.067 1.00 25.00 H new ATOM 440 N VAL A 108 72.122 27.318 3.767 1.00 25.00 N ATOM 441 CA VAL A 108 72.875 27.906 4.882 1.00 25.00 C ATOM 442 C VAL A 108 72.736 29.434 4.962 1.00 25.00 C ATOM 443 O VAL A 108 72.939 30.154 3.968 1.00 25.00 O ATOM 444 CB VAL A 108 74.392 27.533 4.759 1.00 25.00 C ATOM 445 CG1 VAL A 108 75.188 28.021 5.982 1.00 25.00 C ATOM 446 CG2 VAL A 108 74.564 26.007 4.615 1.00 25.00 C ATOM 0 H VAL A 108 72.381 27.682 2.850 1.00 25.00 H new ATOM 0 HA VAL A 108 72.450 27.492 5.796 1.00 25.00 H new ATOM 0 HB VAL A 108 74.779 28.029 3.869 1.00 25.00 H new ATOM 0 HG11 VAL A 108 76.237 27.747 5.867 1.00 25.00 H new ATOM 0 HG12 VAL A 108 75.103 29.105 6.063 1.00 25.00 H new ATOM 0 HG13 VAL A 108 74.789 27.558 6.884 1.00 25.00 H new ATOM 0 HG21 VAL A 108 75.624 25.767 4.531 1.00 25.00 H new ATOM 0 HG22 VAL A 108 74.148 25.510 5.491 1.00 25.00 H new ATOM 0 HG23 VAL A 108 74.042 25.665 3.721 1.00 25.00 H new ATOM 456 N ARG A 109 72.464 29.929 6.168 1.00 25.00 N ATOM 457 CA ARG A 109 72.461 31.371 6.484 1.00 25.00 C ATOM 458 C ARG A 109 73.495 31.546 7.583 1.00 25.00 C ATOM 459 O ARG A 109 73.722 30.631 8.356 1.00 25.00 O ATOM 460 CB ARG A 109 71.090 31.829 7.004 1.00 25.00 C ATOM 461 CG ARG A 109 70.076 32.257 5.918 1.00 25.00 C ATOM 462 CD ARG A 109 70.377 33.656 5.323 1.00 25.00 C ATOM 463 NE ARG A 109 70.373 34.731 6.336 1.00 25.00 N ATOM 464 CZ ARG A 109 70.047 36.005 6.123 1.00 25.00 C ATOM 465 NH1 ARG A 109 69.662 36.459 4.960 1.00 25.00 N1+ ATOM 466 NH2 ARG A 109 70.116 36.842 7.114 1.00 25.00 N ATOM 0 H ARG A 109 72.236 29.339 6.968 1.00 25.00 H new ATOM 0 HA ARG A 109 72.681 31.962 5.595 1.00 25.00 H new ATOM 0 HB2 ARG A 109 70.652 31.018 7.586 1.00 25.00 H new ATOM 0 HB3 ARG A 109 71.240 32.666 7.686 1.00 25.00 H new ATOM 0 HG2 ARG A 109 70.079 31.519 5.116 1.00 25.00 H new ATOM 0 HG3 ARG A 109 69.073 32.259 6.346 1.00 25.00 H new ATOM 0 HD2 ARG A 109 71.349 33.633 4.831 1.00 25.00 H new ATOM 0 HD3 ARG A 109 69.637 33.885 4.556 1.00 25.00 H new ATOM 0 HE ARG A 109 70.645 34.475 7.285 1.00 25.00 H new ATOM 0 HH11 ARG A 109 69.600 35.828 4.161 1.00 25.00 H new ATOM 0 HH12 ARG A 109 69.424 37.445 4.851 1.00 25.00 H new ATOM 0 HH21 ARG A 109 70.415 36.519 8.034 1.00 25.00 H new ATOM 0 HH22 ARG A 109 69.871 37.822 6.972 1.00 25.00 H new ATOM 480 N ARG A 110 74.112 32.714 7.657 1.00 25.00 N ATOM 481 CA ARG A 110 75.161 32.955 8.662 1.00 25.00 C ATOM 482 C ARG A 110 74.582 33.032 10.077 1.00 25.00 C ATOM 483 O ARG A 110 75.268 32.776 11.053 1.00 25.00 O ATOM 484 CB ARG A 110 75.933 34.241 8.331 1.00 25.00 C ATOM 485 CG ARG A 110 77.207 34.391 9.161 1.00 25.00 C ATOM 486 CD ARG A 110 78.103 35.514 8.673 1.00 25.00 C ATOM 487 NE ARG A 110 79.344 35.543 9.469 1.00 25.00 N ATOM 488 CZ ARG A 110 80.392 36.327 9.240 1.00 25.00 C ATOM 489 NH1 ARG A 110 80.418 37.188 8.254 1.00 25.00 N1+ ATOM 490 NH2 ARG A 110 81.434 36.240 10.018 1.00 25.00 N ATOM 0 H ARG A 110 73.916 33.507 7.047 1.00 25.00 H new ATOM 0 HA ARG A 110 75.848 32.109 8.631 1.00 25.00 H new ATOM 0 HB2 ARG A 110 76.191 34.243 7.272 1.00 25.00 H new ATOM 0 HB3 ARG A 110 75.288 35.102 8.503 1.00 25.00 H new ATOM 0 HG2 ARG A 110 76.937 34.575 10.201 1.00 25.00 H new ATOM 0 HG3 ARG A 110 77.763 33.454 9.137 1.00 25.00 H new ATOM 0 HD2 ARG A 110 78.339 35.371 7.619 1.00 25.00 H new ATOM 0 HD3 ARG A 110 77.584 36.469 8.757 1.00 25.00 H new ATOM 0 HE ARG A 110 79.403 34.906 10.264 1.00 25.00 H new ATOM 0 HH11 ARG A 110 79.615 37.274 7.630 1.00 25.00 H new ATOM 0 HH12 ARG A 110 81.241 37.773 8.110 1.00 25.00 H new ATOM 0 HH21 ARG A 110 81.439 35.576 10.792 1.00 25.00 H new ATOM 0 HH22 ARG A 110 82.245 36.836 9.853 1.00 25.00 H new ATOM 504 N ASP A 111 73.306 33.359 10.162 1.00 25.00 N ATOM 505 CA ASP A 111 72.604 33.493 11.436 1.00 25.00 C ATOM 506 C ASP A 111 72.090 32.136 11.948 1.00 25.00 C ATOM 507 O ASP A 111 71.185 32.089 12.776 1.00 25.00 O ATOM 508 CB ASP A 111 71.424 34.450 11.259 1.00 25.00 C ATOM 509 CG ASP A 111 71.690 35.500 10.202 1.00 25.00 C ATOM 510 OD1 ASP A 111 71.473 35.191 8.996 1.00 25.00 O ATOM 511 OD2 ASP A 111 72.160 36.602 10.535 1.00 25.00 O1- ATOM 0 H ASP A 111 72.719 33.541 9.348 1.00 25.00 H new ATOM 0 HA ASP A 111 73.306 33.884 12.172 1.00 25.00 H new ATOM 0 HB2 ASP A 111 70.535 33.881 10.987 1.00 25.00 H new ATOM 0 HB3 ASP A 111 71.211 34.940 12.209 1.00 25.00 H new ATOM 516 N LEU A 112 72.661 31.058 11.415 1.00 25.00 N ATOM 517 CA LEU A 112 72.326 29.669 11.781 1.00 25.00 C ATOM 518 C LEU A 112 70.850 29.345 11.534 1.00 25.00 C ATOM 519 O LEU A 112 70.266 28.479 12.169 1.00 25.00 O ATOM 520 CB LEU A 112 72.724 29.364 13.238 1.00 25.00 C ATOM 521 CG LEU A 112 74.187 29.661 13.626 1.00 25.00 C ATOM 522 CD1 LEU A 112 74.368 29.434 15.125 1.00 25.00 C ATOM 523 CD2 LEU A 112 75.180 28.787 12.848 1.00 25.00 C ATOM 0 H LEU A 112 73.386 31.119 10.700 1.00 25.00 H new ATOM 0 HA LEU A 112 72.909 29.020 11.128 1.00 25.00 H new ATOM 0 HB2 LEU A 112 72.073 29.938 13.897 1.00 25.00 H new ATOM 0 HB3 LEU A 112 72.526 28.310 13.433 1.00 25.00 H new ATOM 0 HG LEU A 112 74.396 30.700 13.371 1.00 25.00 H new ATOM 0 HD11 LEU A 112 75.401 29.643 15.403 1.00 25.00 H new ATOM 0 HD12 LEU A 112 73.703 30.098 15.677 1.00 25.00 H new ATOM 0 HD13 LEU A 112 74.130 28.398 15.368 1.00 25.00 H new ATOM 0 HD21 LEU A 112 76.197 29.031 13.154 1.00 25.00 H new ATOM 0 HD22 LEU A 112 74.981 27.736 13.057 1.00 25.00 H new ATOM 0 HD23 LEU A 112 75.068 28.972 11.780 1.00 25.00 H new ATOM 535 N SER A 113 70.281 30.020 10.547 1.00 25.00 N ATOM 536 CA SER A 113 68.904 29.789 10.087 1.00 25.00 C ATOM 537 C SER A 113 68.908 28.711 9.005 1.00 25.00 C ATOM 538 O SER A 113 68.104 28.732 8.077 1.00 25.00 O ATOM 539 CB SER A 113 68.317 31.076 9.527 1.00 25.00 C ATOM 540 OG SER A 113 68.778 32.183 10.281 1.00 25.00 O ATOM 0 H SER A 113 70.763 30.756 10.030 1.00 25.00 H new ATOM 0 HA SER A 113 68.294 29.461 10.929 1.00 25.00 H new ATOM 0 HB2 SER A 113 68.603 31.192 8.482 1.00 25.00 H new ATOM 0 HB3 SER A 113 67.228 31.033 9.556 1.00 25.00 H new ATOM 0 HG SER A 113 68.398 33.009 9.915 1.00 25.00 H new ATOM 546 N GLU A 114 69.927 27.873 9.061 1.00 25.00 N ATOM 547 CA GLU A 114 70.160 26.854 8.055 1.00 25.00 C ATOM 548 C GLU A 114 69.140 25.720 8.166 1.00 25.00 C ATOM 549 O GLU A 114 68.597 25.452 9.235 1.00 25.00 O ATOM 550 CB GLU A 114 71.593 26.333 8.204 1.00 25.00 C ATOM 551 CG GLU A 114 71.941 25.748 9.575 1.00 25.00 C ATOM 552 CD GLU A 114 73.442 25.758 9.820 1.00 25.00 C ATOM 553 OE1 GLU A 114 74.030 26.866 9.811 1.00 25.00 O1- ATOM 554 OE2 GLU A 114 74.044 24.675 9.987 1.00 25.00 O1- ATOM 0 H GLU A 114 70.620 27.881 9.810 1.00 25.00 H new ATOM 0 HA GLU A 114 70.036 27.290 7.063 1.00 25.00 H new ATOM 0 HB2 GLU A 114 71.763 25.567 7.447 1.00 25.00 H new ATOM 0 HB3 GLU A 114 72.282 27.150 7.991 1.00 25.00 H new ATOM 0 HG2 GLU A 114 71.440 26.322 10.355 1.00 25.00 H new ATOM 0 HG3 GLU A 114 71.567 24.726 9.641 1.00 25.00 H new ATOM 561 N VAL A 115 68.841 25.102 7.036 1.00 25.00 N ATOM 562 CA VAL A 115 67.795 24.084 6.953 1.00 25.00 C ATOM 563 C VAL A 115 68.181 23.097 5.856 1.00 25.00 C ATOM 564 O VAL A 115 68.872 23.460 4.910 1.00 25.00 O ATOM 565 CB VAL A 115 66.395 24.759 6.657 1.00 25.00 C ATOM 566 CG1 VAL A 115 66.376 25.456 5.283 1.00 25.00 C ATOM 567 CG2 VAL A 115 65.240 23.743 6.758 1.00 25.00 C ATOM 0 H VAL A 115 69.312 25.287 6.150 1.00 25.00 H new ATOM 0 HA VAL A 115 67.702 23.553 7.900 1.00 25.00 H new ATOM 0 HB VAL A 115 66.247 25.519 7.424 1.00 25.00 H new ATOM 0 HG11 VAL A 115 65.398 25.907 5.117 1.00 25.00 H new ATOM 0 HG12 VAL A 115 67.142 26.231 5.258 1.00 25.00 H new ATOM 0 HG13 VAL A 115 66.575 24.724 4.501 1.00 25.00 H new ATOM 0 HG21 VAL A 115 64.295 24.244 6.548 1.00 25.00 H new ATOM 0 HG22 VAL A 115 65.395 22.943 6.034 1.00 25.00 H new ATOM 0 HG23 VAL A 115 65.212 23.322 7.763 1.00 25.00 H new ATOM 577 N THR A 116 67.751 21.854 5.977 1.00 25.00 N ATOM 578 CA THR A 116 68.023 20.843 4.963 1.00 25.00 C ATOM 579 C THR A 116 66.696 20.203 4.600 1.00 25.00 C ATOM 580 O THR A 116 65.795 20.107 5.436 1.00 25.00 O ATOM 581 CB THR A 116 69.066 19.800 5.449 1.00 25.00 C ATOM 582 OG1 THR A 116 69.341 18.867 4.403 1.00 25.00 O ATOM 583 CG2 THR A 116 68.591 19.028 6.675 1.00 25.00 C ATOM 0 H THR A 116 67.208 21.516 6.772 1.00 25.00 H new ATOM 0 HA THR A 116 68.470 21.301 4.081 1.00 25.00 H new ATOM 0 HB THR A 116 69.964 20.354 5.723 1.00 25.00 H new ATOM 0 HG1 THR A 116 70.001 18.212 4.714 1.00 25.00 H new ATOM 0 HG21 THR A 116 69.357 18.312 6.974 1.00 25.00 H new ATOM 0 HG22 THR A 116 68.405 19.723 7.494 1.00 25.00 H new ATOM 0 HG23 THR A 116 67.671 18.496 6.436 1.00 25.00 H new ATOM 591 N PHE A 117 66.562 19.822 3.341 1.00 25.00 N ATOM 592 CA PHE A 117 65.322 19.256 2.819 1.00 25.00 C ATOM 593 C PHE A 117 65.705 18.403 1.612 1.00 25.00 C ATOM 594 O PHE A 117 66.863 18.397 1.210 1.00 25.00 O ATOM 595 CB PHE A 117 64.334 20.370 2.429 1.00 25.00 C ATOM 596 CG PHE A 117 64.926 21.428 1.531 1.00 25.00 C ATOM 597 CD1 PHE A 117 65.569 22.556 2.082 1.00 25.00 C ATOM 598 CD2 PHE A 117 64.816 21.320 0.136 1.00 25.00 C ATOM 599 CE1 PHE A 117 66.098 23.570 1.250 1.00 25.00 C ATOM 600 CE2 PHE A 117 65.327 22.336 -0.711 1.00 25.00 C ATOM 601 CZ PHE A 117 65.966 23.466 -0.150 1.00 25.00 C ATOM 0 H PHE A 117 67.308 19.895 2.649 1.00 25.00 H new ATOM 0 HA PHE A 117 64.819 18.649 3.572 1.00 25.00 H new ATOM 0 HB2 PHE A 117 63.476 19.922 1.928 1.00 25.00 H new ATOM 0 HB3 PHE A 117 63.961 20.845 3.336 1.00 25.00 H new ATOM 0 HD1 PHE A 117 65.659 22.647 3.154 1.00 25.00 H new ATOM 0 HD2 PHE A 117 64.337 20.454 -0.297 1.00 25.00 H new ATOM 0 HE1 PHE A 117 66.601 24.421 1.685 1.00 25.00 H new ATOM 0 HE2 PHE A 117 65.228 22.247 -1.783 1.00 25.00 H new ATOM 0 HZ PHE A 117 66.351 24.245 -0.791 1.00 25.00 H new ATOM 611 N SER A 118 64.754 17.688 1.036 1.00 25.00 N ATOM 612 CA SER A 118 65.023 16.845 -0.121 1.00 25.00 C ATOM 613 C SER A 118 64.012 17.123 -1.222 1.00 25.00 C ATOM 614 O SER A 118 62.901 17.544 -0.941 1.00 25.00 O ATOM 615 CB SER A 118 64.983 15.368 0.267 1.00 25.00 C ATOM 616 OG SER A 118 65.943 15.083 1.272 1.00 25.00 O ATOM 0 H SER A 118 63.784 17.673 1.351 1.00 25.00 H new ATOM 0 HA SER A 118 66.021 17.079 -0.491 1.00 25.00 H new ATOM 0 HB2 SER A 118 63.987 15.109 0.626 1.00 25.00 H new ATOM 0 HB3 SER A 118 65.176 14.752 -0.611 1.00 25.00 H new ATOM 0 HG SER A 118 65.899 14.132 1.506 1.00 25.00 H new ATOM 622 N LEU A 119 64.416 16.910 -2.468 1.00 25.00 N ATOM 623 CA LEU A 119 63.578 17.207 -3.626 1.00 25.00 C ATOM 624 C LEU A 119 63.527 16.045 -4.600 1.00 25.00 C ATOM 625 O LEU A 119 64.533 15.388 -4.860 1.00 25.00 O ATOM 626 CB LEU A 119 64.134 18.423 -4.364 1.00 25.00 C ATOM 627 CG LEU A 119 63.606 19.786 -3.904 1.00 25.00 C ATOM 628 CD1 LEU A 119 64.437 20.868 -4.557 1.00 25.00 C ATOM 629 CD2 LEU A 119 62.131 19.946 -4.283 1.00 25.00 C ATOM 0 H LEU A 119 65.331 16.527 -2.705 1.00 25.00 H new ATOM 0 HA LEU A 119 62.571 17.400 -3.256 1.00 25.00 H new ATOM 0 HB2 LEU A 119 65.219 18.422 -4.260 1.00 25.00 H new ATOM 0 HB3 LEU A 119 63.915 18.310 -5.426 1.00 25.00 H new ATOM 0 HG LEU A 119 63.683 19.863 -2.819 1.00 25.00 H new ATOM 0 HD11 LEU A 119 64.075 21.846 -4.240 1.00 25.00 H new ATOM 0 HD12 LEU A 119 65.480 20.754 -4.261 1.00 25.00 H new ATOM 0 HD13 LEU A 119 64.356 20.785 -5.641 1.00 25.00 H new ATOM 0 HD21 LEU A 119 61.773 20.920 -3.949 1.00 25.00 H new ATOM 0 HD22 LEU A 119 62.023 19.872 -5.365 1.00 25.00 H new ATOM 0 HD23 LEU A 119 61.545 19.160 -3.805 1.00 25.00 H new ATOM 641 N GLN A 120 62.348 15.841 -5.165 1.00 25.00 N ATOM 642 CA GLN A 120 62.114 14.798 -6.166 1.00 25.00 C ATOM 643 C GLN A 120 62.194 15.432 -7.550 1.00 25.00 C ATOM 644 O GLN A 120 61.388 16.295 -7.888 1.00 25.00 O ATOM 645 CB GLN A 120 60.732 14.169 -5.976 1.00 25.00 C ATOM 646 CG GLN A 120 60.590 13.364 -4.693 1.00 25.00 C ATOM 647 CD GLN A 120 59.181 12.830 -4.501 1.00 25.00 C ATOM 648 OE1 GLN A 120 58.299 13.536 -4.047 1.00 25.00 O ATOM 649 NE2 GLN A 120 58.965 11.592 -4.849 1.00 25.00 N ATOM 0 H GLN A 120 61.519 16.393 -4.945 1.00 25.00 H new ATOM 0 HA GLN A 120 62.866 14.017 -6.057 1.00 25.00 H new ATOM 0 HB2 GLN A 120 59.981 14.959 -5.982 1.00 25.00 H new ATOM 0 HB3 GLN A 120 60.520 13.520 -6.826 1.00 25.00 H new ATOM 0 HG2 GLN A 120 61.293 12.531 -4.710 1.00 25.00 H new ATOM 0 HG3 GLN A 120 60.858 13.990 -3.842 1.00 25.00 H new ATOM 0 HE21 GLN A 120 59.727 11.028 -5.226 1.00 25.00 H new ATOM 0 HE22 GLN A 120 58.034 11.188 -4.744 1.00 25.00 H new ATOM 658 N VAL A 121 63.175 15.017 -8.334 1.00 25.00 N ATOM 659 CA VAL A 121 63.410 15.576 -9.666 1.00 25.00 C ATOM 660 C VAL A 121 63.706 14.436 -10.630 1.00 25.00 C ATOM 661 O VAL A 121 64.014 13.334 -10.199 1.00 25.00 O ATOM 662 CB VAL A 121 64.622 16.563 -9.645 1.00 25.00 C ATOM 663 CG1 VAL A 121 64.282 17.817 -8.829 1.00 25.00 C ATOM 664 CG2 VAL A 121 65.875 15.891 -9.050 1.00 25.00 C ATOM 0 H VAL A 121 63.834 14.284 -8.070 1.00 25.00 H new ATOM 0 HA VAL A 121 62.523 16.124 -9.984 1.00 25.00 H new ATOM 0 HB VAL A 121 64.832 16.848 -10.676 1.00 25.00 H new ATOM 0 HG11 VAL A 121 65.138 18.492 -8.826 1.00 25.00 H new ATOM 0 HG12 VAL A 121 63.424 18.320 -9.276 1.00 25.00 H new ATOM 0 HG13 VAL A 121 64.042 17.531 -7.805 1.00 25.00 H new ATOM 0 HG21 VAL A 121 66.702 16.601 -9.048 1.00 25.00 H new ATOM 0 HG22 VAL A 121 65.667 15.573 -8.028 1.00 25.00 H new ATOM 0 HG23 VAL A 121 66.143 15.023 -9.652 1.00 25.00 H new ATOM 674 N ASP A 122 63.620 14.691 -11.927 1.00 25.00 N ATOM 675 CA ASP A 122 63.973 13.677 -12.928 1.00 25.00 C ATOM 676 C ASP A 122 65.465 13.827 -13.255 1.00 25.00 C ATOM 677 O ASP A 122 66.103 14.796 -12.849 1.00 25.00 O ATOM 678 CB ASP A 122 63.119 13.834 -14.190 1.00 25.00 C ATOM 679 CG ASP A 122 62.870 12.494 -14.899 1.00 25.00 C ATOM 680 OD1 ASP A 122 63.790 11.632 -14.924 1.00 25.00 O1- ATOM 681 OD2 ASP A 122 61.739 12.276 -15.372 1.00 25.00 O1- ATOM 0 H ASP A 122 63.312 15.582 -12.316 1.00 25.00 H new ATOM 0 HA ASP A 122 63.778 12.681 -12.531 1.00 25.00 H new ATOM 0 HB2 ASP A 122 62.163 14.285 -13.925 1.00 25.00 H new ATOM 0 HB3 ASP A 122 63.614 14.519 -14.878 1.00 25.00 H new ATOM 686 N ALA A 123 66.026 12.872 -13.970 1.00 25.00 N ATOM 687 CA ALA A 123 67.446 12.884 -14.299 1.00 25.00 C ATOM 688 C ALA A 123 67.788 14.006 -15.293 1.00 25.00 C ATOM 689 O ALA A 123 68.863 14.615 -15.228 1.00 25.00 O ATOM 690 CB ALA A 123 67.832 11.516 -14.884 1.00 25.00 C ATOM 0 H ALA A 123 65.518 12.068 -14.339 1.00 25.00 H new ATOM 0 HA ALA A 123 68.015 13.075 -13.389 1.00 25.00 H new ATOM 0 HB1 ALA A 123 68.893 11.513 -15.134 1.00 25.00 H new ATOM 0 HB2 ALA A 123 67.630 10.736 -14.150 1.00 25.00 H new ATOM 0 HB3 ALA A 123 67.247 11.327 -15.784 1.00 25.00 H new ATOM 696 N ASP A 124 66.883 14.267 -16.220 1.00 25.00 N ATOM 697 CA ASP A 124 67.109 15.261 -17.272 1.00 25.00 C ATOM 698 C ASP A 124 66.654 16.651 -16.843 1.00 25.00 C ATOM 699 O ASP A 124 66.734 17.605 -17.615 1.00 25.00 O ATOM 700 CB ASP A 124 66.372 14.860 -18.552 1.00 25.00 C ATOM 701 CG ASP A 124 64.868 15.039 -18.439 1.00 25.00 C ATOM 702 OD1 ASP A 124 64.299 14.645 -17.400 1.00 25.00 O ATOM 703 OD2 ASP A 124 64.255 15.544 -19.400 1.00 25.00 O1- ATOM 0 H ASP A 124 65.976 13.804 -16.271 1.00 25.00 H new ATOM 0 HA ASP A 124 68.182 15.294 -17.460 1.00 25.00 H new ATOM 0 HB2 ASP A 124 66.744 15.458 -19.384 1.00 25.00 H new ATOM 0 HB3 ASP A 124 66.594 13.818 -18.784 1.00 25.00 H new ATOM 708 N PHE A 125 66.199 16.760 -15.602 1.00 25.00 N ATOM 709 CA PHE A 125 65.678 18.012 -15.069 1.00 25.00 C ATOM 710 C PHE A 125 66.694 19.153 -15.207 1.00 25.00 C ATOM 711 O PHE A 125 67.889 18.982 -14.935 1.00 25.00 O ATOM 712 CB PHE A 125 65.292 17.800 -13.604 1.00 25.00 C ATOM 713 CG PHE A 125 64.263 18.762 -13.094 1.00 25.00 C ATOM 714 CD1 PHE A 125 62.903 18.573 -13.412 1.00 25.00 C ATOM 715 CD2 PHE A 125 64.627 19.837 -12.263 1.00 25.00 C ATOM 716 CE1 PHE A 125 61.912 19.456 -12.913 1.00 25.00 C ATOM 717 CE2 PHE A 125 63.637 20.719 -11.748 1.00 25.00 C ATOM 718 CZ PHE A 125 62.279 20.523 -12.078 1.00 25.00 C ATOM 0 H PHE A 125 66.180 15.986 -14.938 1.00 25.00 H new ATOM 0 HA PHE A 125 64.799 18.303 -15.644 1.00 25.00 H new ATOM 0 HB2 PHE A 125 64.915 16.784 -13.483 1.00 25.00 H new ATOM 0 HB3 PHE A 125 66.188 17.883 -12.988 1.00 25.00 H new ATOM 0 HD1 PHE A 125 62.612 17.746 -14.043 1.00 25.00 H new ATOM 0 HD2 PHE A 125 65.666 19.994 -12.014 1.00 25.00 H new ATOM 0 HE1 PHE A 125 60.875 19.308 -13.175 1.00 25.00 H new ATOM 0 HE2 PHE A 125 63.924 21.538 -11.105 1.00 25.00 H new ATOM 0 HZ PHE A 125 61.525 21.191 -11.690 1.00 25.00 H new ATOM 728 N GLU A 126 66.222 20.294 -15.682 1.00 25.00 N ATOM 729 CA GLU A 126 67.100 21.432 -15.960 1.00 25.00 C ATOM 730 C GLU A 126 67.671 22.032 -14.691 1.00 25.00 C ATOM 731 O GLU A 126 66.963 22.196 -13.698 1.00 25.00 O ATOM 732 CB GLU A 126 66.319 22.558 -16.627 1.00 25.00 C ATOM 733 CG GLU A 126 65.693 22.234 -17.961 1.00 25.00 C ATOM 734 CD GLU A 126 64.921 23.431 -18.490 1.00 25.00 C ATOM 735 OE1 GLU A 126 65.410 24.570 -18.306 1.00 25.00 O ATOM 736 OE2 GLU A 126 63.803 23.252 -19.013 1.00 25.00 O1- ATOM 0 H GLU A 126 65.237 20.462 -15.885 1.00 25.00 H new ATOM 0 HA GLU A 126 67.895 21.046 -16.598 1.00 25.00 H new ATOM 0 HB2 GLU A 126 65.530 22.878 -15.947 1.00 25.00 H new ATOM 0 HB3 GLU A 126 66.989 23.408 -16.760 1.00 25.00 H new ATOM 0 HG2 GLU A 126 66.467 21.949 -18.673 1.00 25.00 H new ATOM 0 HG3 GLU A 126 65.025 21.379 -17.858 1.00 25.00 H new ATOM 743 N LEU A 127 68.913 22.496 -14.757 1.00 25.00 N ATOM 744 CA LEU A 127 69.496 23.229 -13.635 1.00 25.00 C ATOM 745 C LEU A 127 68.745 24.544 -13.389 1.00 25.00 C ATOM 746 O LEU A 127 68.732 25.068 -12.272 1.00 25.00 O ATOM 747 CB LEU A 127 70.967 23.546 -13.908 1.00 25.00 C ATOM 748 CG LEU A 127 71.961 23.188 -12.791 1.00 25.00 C ATOM 749 CD1 LEU A 127 73.323 23.774 -13.155 1.00 25.00 C ATOM 750 CD2 LEU A 127 71.550 23.702 -11.404 1.00 25.00 C ATOM 0 H LEU A 127 69.530 22.382 -15.561 1.00 25.00 H new ATOM 0 HA LEU A 127 69.413 22.596 -12.751 1.00 25.00 H new ATOM 0 HB2 LEU A 127 71.267 23.020 -14.814 1.00 25.00 H new ATOM 0 HB3 LEU A 127 71.054 24.613 -14.114 1.00 25.00 H new ATOM 0 HG LEU A 127 71.986 22.101 -12.721 1.00 25.00 H new ATOM 0 HD11 LEU A 127 74.044 23.531 -12.374 1.00 25.00 H new ATOM 0 HD12 LEU A 127 73.659 23.353 -14.103 1.00 25.00 H new ATOM 0 HD13 LEU A 127 73.240 24.857 -13.248 1.00 25.00 H new ATOM 0 HD21 LEU A 127 72.301 23.410 -10.670 1.00 25.00 H new ATOM 0 HD22 LEU A 127 71.470 24.789 -11.428 1.00 25.00 H new ATOM 0 HD23 LEU A 127 70.587 23.273 -11.128 1.00 25.00 H new ATOM 762 N HIS A 128 68.141 25.085 -14.438 1.00 25.00 N ATOM 763 CA HIS A 128 67.385 26.329 -14.321 1.00 25.00 C ATOM 764 C HIS A 128 66.146 26.108 -13.459 1.00 25.00 C ATOM 765 O HIS A 128 65.857 26.887 -12.567 1.00 25.00 O ATOM 766 CB HIS A 128 66.972 26.828 -15.707 1.00 25.00 C ATOM 767 CG HIS A 128 66.409 28.216 -15.697 1.00 25.00 C ATOM 768 ND1 HIS A 128 67.165 29.361 -15.774 1.00 25.00 N ATOM 769 CD2 HIS A 128 65.119 28.649 -15.617 1.00 25.00 C ATOM 770 CE1 HIS A 128 66.342 30.405 -15.739 1.00 25.00 C ATOM 771 NE2 HIS A 128 65.083 30.031 -15.644 1.00 25.00 N ATOM 0 H HIS A 128 68.158 24.686 -15.377 1.00 25.00 H new ATOM 0 HA HIS A 128 68.018 27.081 -13.849 1.00 25.00 H new ATOM 0 HB2 HIS A 128 67.838 26.800 -16.368 1.00 25.00 H new ATOM 0 HB3 HIS A 128 66.231 26.146 -16.124 1.00 25.00 H new ATOM 0 HD2 HIS A 128 64.253 28.008 -15.543 1.00 25.00 H new ATOM 0 HE1 HIS A 128 66.667 31.434 -15.783 1.00 25.00 H new ATOM 0 HE2 HIS A 128 64.259 30.631 -15.600 1.00 25.00 H new ATOM 779 N ASN A 129 65.445 25.011 -13.695 1.00 25.00 N ATOM 780 CA ASN A 129 64.256 24.696 -12.912 1.00 25.00 C ATOM 781 C ASN A 129 64.640 24.173 -11.533 1.00 25.00 C ATOM 782 O ASN A 129 63.948 24.416 -10.560 1.00 25.00 O ATOM 783 CB ASN A 129 63.388 23.674 -13.654 1.00 25.00 C ATOM 784 CG ASN A 129 62.735 24.266 -14.882 1.00 25.00 C ATOM 785 OD1 ASN A 129 62.301 25.401 -14.869 1.00 25.00 O ATOM 786 ND2 ASN A 129 62.683 23.511 -15.943 1.00 25.00 N ATOM 0 H ASN A 129 65.674 24.327 -14.416 1.00 25.00 H new ATOM 0 HA ASN A 129 63.679 25.611 -12.778 1.00 25.00 H new ATOM 0 HB2 ASN A 129 64.002 22.822 -13.946 1.00 25.00 H new ATOM 0 HB3 ASN A 129 62.618 23.297 -12.981 1.00 25.00 H new ATOM 0 HD21 ASN A 129 62.267 23.868 -16.803 1.00 25.00 H new ATOM 0 HD22 ASN A 129 63.059 22.563 -15.913 1.00 25.00 H new ATOM 793 N PHE A 130 65.766 23.473 -11.437 1.00 25.00 N ATOM 794 CA PHE A 130 66.207 22.919 -10.156 1.00 25.00 C ATOM 795 C PHE A 130 66.480 23.991 -9.117 1.00 25.00 C ATOM 796 O PHE A 130 66.041 23.880 -7.975 1.00 25.00 O ATOM 797 CB PHE A 130 67.471 22.090 -10.354 1.00 25.00 C ATOM 798 CG PHE A 130 67.984 21.470 -9.086 1.00 25.00 C ATOM 799 CD1 PHE A 130 67.184 20.578 -8.351 1.00 25.00 C ATOM 800 CD2 PHE A 130 69.277 21.770 -8.617 1.00 25.00 C ATOM 801 CE1 PHE A 130 67.664 19.982 -7.158 1.00 25.00 C ATOM 802 CE2 PHE A 130 69.775 21.175 -7.429 1.00 25.00 C ATOM 803 CZ PHE A 130 68.964 20.279 -6.699 1.00 25.00 C ATOM 0 H PHE A 130 66.387 23.276 -12.222 1.00 25.00 H new ATOM 0 HA PHE A 130 65.392 22.296 -9.787 1.00 25.00 H new ATOM 0 HB2 PHE A 130 67.269 21.302 -11.079 1.00 25.00 H new ATOM 0 HB3 PHE A 130 68.249 22.724 -10.780 1.00 25.00 H new ATOM 0 HD1 PHE A 130 66.189 20.343 -8.700 1.00 25.00 H new ATOM 0 HD2 PHE A 130 69.897 22.461 -9.168 1.00 25.00 H new ATOM 0 HE1 PHE A 130 67.036 19.302 -6.602 1.00 25.00 H new ATOM 0 HE2 PHE A 130 70.772 21.407 -7.084 1.00 25.00 H new ATOM 0 HZ PHE A 130 69.337 19.823 -5.794 1.00 25.00 H new ATOM 813 N ARG A 131 67.187 25.045 -9.504 1.00 25.00 N ATOM 814 CA ARG A 131 67.501 26.112 -8.550 1.00 25.00 C ATOM 815 C ARG A 131 66.226 26.839 -8.119 1.00 25.00 C ATOM 816 O ARG A 131 66.152 27.322 -7.001 1.00 25.00 O ATOM 817 CB ARG A 131 68.559 27.076 -9.113 1.00 25.00 C ATOM 818 CG ARG A 131 68.083 27.970 -10.257 1.00 25.00 C ATOM 819 CD ARG A 131 69.243 28.663 -10.960 1.00 25.00 C ATOM 820 NE ARG A 131 69.995 27.730 -11.824 1.00 25.00 N ATOM 821 CZ ARG A 131 71.060 28.049 -12.549 1.00 25.00 C ATOM 822 NH1 ARG A 131 71.552 29.266 -12.567 1.00 25.00 N1+ ATOM 823 NH2 ARG A 131 71.632 27.138 -13.278 1.00 25.00 N ATOM 0 H ARG A 131 67.548 25.187 -10.447 1.00 25.00 H new ATOM 0 HA ARG A 131 67.937 25.659 -7.659 1.00 25.00 H new ATOM 0 HB2 ARG A 131 68.917 27.711 -8.302 1.00 25.00 H new ATOM 0 HB3 ARG A 131 69.411 26.492 -9.460 1.00 25.00 H new ATOM 0 HG2 ARG A 131 67.528 27.371 -10.979 1.00 25.00 H new ATOM 0 HG3 ARG A 131 67.394 28.720 -9.868 1.00 25.00 H new ATOM 0 HD2 ARG A 131 68.863 29.489 -11.561 1.00 25.00 H new ATOM 0 HD3 ARG A 131 69.915 29.092 -10.217 1.00 25.00 H new ATOM 0 HE ARG A 131 69.670 26.764 -11.867 1.00 25.00 H new ATOM 0 HH11 ARG A 131 71.114 30.001 -12.012 1.00 25.00 H new ATOM 0 HH12 ARG A 131 72.372 29.476 -13.136 1.00 25.00 H new ATOM 0 HH21 ARG A 131 71.262 26.188 -13.290 1.00 25.00 H new ATOM 0 HH22 ARG A 131 72.451 27.373 -13.839 1.00 25.00 H new ATOM 837 N ALA A 132 65.212 26.864 -8.980 1.00 25.00 N ATOM 838 CA ALA A 132 63.926 27.474 -8.635 1.00 25.00 C ATOM 839 C ALA A 132 63.164 26.580 -7.645 1.00 25.00 C ATOM 840 O ALA A 132 62.548 27.068 -6.713 1.00 25.00 O ATOM 841 CB ALA A 132 63.097 27.707 -9.905 1.00 25.00 C ATOM 0 H ALA A 132 65.253 26.471 -9.920 1.00 25.00 H new ATOM 0 HA ALA A 132 64.106 28.438 -8.158 1.00 25.00 H new ATOM 0 HB1 ALA A 132 62.143 28.161 -9.638 1.00 25.00 H new ATOM 0 HB2 ALA A 132 63.640 28.372 -10.577 1.00 25.00 H new ATOM 0 HB3 ALA A 132 62.919 26.754 -10.403 1.00 25.00 H new ATOM 847 N LEU A 133 63.240 25.271 -7.828 1.00 25.00 N ATOM 848 CA LEU A 133 62.604 24.336 -6.901 1.00 25.00 C ATOM 849 C LEU A 133 63.264 24.442 -5.524 1.00 25.00 C ATOM 850 O LEU A 133 62.605 24.398 -4.500 1.00 25.00 O ATOM 851 CB LEU A 133 62.724 22.903 -7.421 1.00 25.00 C ATOM 852 CG LEU A 133 61.457 22.301 -8.055 1.00 25.00 C ATOM 853 CD1 LEU A 133 61.019 23.053 -9.311 1.00 25.00 C ATOM 854 CD2 LEU A 133 61.724 20.837 -8.397 1.00 25.00 C ATOM 0 H LEU A 133 63.732 24.829 -8.605 1.00 25.00 H new ATOM 0 HA LEU A 133 61.548 24.591 -6.818 1.00 25.00 H new ATOM 0 HB2 LEU A 133 63.524 22.873 -8.160 1.00 25.00 H new ATOM 0 HB3 LEU A 133 63.030 22.263 -6.594 1.00 25.00 H new ATOM 0 HG LEU A 133 60.646 22.387 -7.332 1.00 25.00 H new ATOM 0 HD11 LEU A 133 60.121 22.588 -9.719 1.00 25.00 H new ATOM 0 HD12 LEU A 133 60.807 24.092 -9.058 1.00 25.00 H new ATOM 0 HD13 LEU A 133 61.816 23.016 -10.054 1.00 25.00 H new ATOM 0 HD21 LEU A 133 60.833 20.400 -8.847 1.00 25.00 H new ATOM 0 HD22 LEU A 133 62.554 20.773 -9.101 1.00 25.00 H new ATOM 0 HD23 LEU A 133 61.976 20.291 -7.488 1.00 25.00 H new ATOM 866 N CYS A 134 64.575 24.627 -5.512 1.00 25.00 N ATOM 867 CA CYS A 134 65.307 24.794 -4.255 1.00 25.00 C ATOM 868 C CYS A 134 64.908 26.100 -3.559 1.00 25.00 C ATOM 869 O CYS A 134 64.801 26.150 -2.335 1.00 25.00 O ATOM 870 CB CYS A 134 66.812 24.803 -4.515 1.00 25.00 C ATOM 871 SG CYS A 134 67.445 23.275 -5.243 1.00 25.00 S ATOM 0 H CYS A 134 65.156 24.666 -6.350 1.00 25.00 H new ATOM 0 HA CYS A 134 65.053 23.955 -3.607 1.00 25.00 H new ATOM 0 HB2 CYS A 134 67.050 25.635 -5.178 1.00 25.00 H new ATOM 0 HB3 CYS A 134 67.331 24.987 -3.574 1.00 25.00 H new ATOM 0 HG CYS A 134 67.032 23.176 -6.472 1.00 25.00 H new ATOM 877 N GLU A 135 64.674 27.143 -4.346 1.00 25.00 N ATOM 878 CA GLU A 135 64.246 28.440 -3.815 1.00 25.00 C ATOM 879 C GLU A 135 62.873 28.306 -3.165 1.00 25.00 C ATOM 880 O GLU A 135 62.651 28.802 -2.063 1.00 25.00 O ATOM 881 CB GLU A 135 64.181 29.460 -4.960 1.00 25.00 C ATOM 882 CG GLU A 135 63.731 30.848 -4.549 1.00 25.00 C ATOM 883 CD GLU A 135 62.648 31.405 -5.471 1.00 25.00 C ATOM 884 OE1 GLU A 135 61.528 30.853 -5.490 1.00 25.00 O1- ATOM 885 OE2 GLU A 135 62.930 32.394 -6.192 1.00 25.00 O1- ATOM 0 H GLU A 135 64.773 27.119 -5.361 1.00 25.00 H new ATOM 0 HA GLU A 135 64.961 28.779 -3.065 1.00 25.00 H new ATOM 0 HB2 GLU A 135 65.167 29.534 -5.419 1.00 25.00 H new ATOM 0 HB3 GLU A 135 63.501 29.084 -5.725 1.00 25.00 H new ATOM 0 HG2 GLU A 135 63.354 30.817 -3.527 1.00 25.00 H new ATOM 0 HG3 GLU A 135 64.588 31.521 -4.552 1.00 25.00 H new ATOM 892 N LEU A 136 61.970 27.609 -3.839 1.00 25.00 N ATOM 893 CA LEU A 136 60.604 27.431 -3.362 1.00 25.00 C ATOM 894 C LEU A 136 60.541 26.718 -2.011 1.00 25.00 C ATOM 895 O LEU A 136 59.816 27.141 -1.115 1.00 25.00 O ATOM 896 CB LEU A 136 59.811 26.630 -4.402 1.00 25.00 C ATOM 897 CG LEU A 136 58.318 26.410 -4.119 1.00 25.00 C ATOM 898 CD1 LEU A 136 57.542 27.733 -4.117 1.00 25.00 C ATOM 899 CD2 LEU A 136 57.734 25.467 -5.184 1.00 25.00 C ATOM 0 H LEU A 136 62.162 27.151 -4.730 1.00 25.00 H new ATOM 0 HA LEU A 136 60.171 28.422 -3.223 1.00 25.00 H new ATOM 0 HB2 LEU A 136 59.903 27.137 -5.363 1.00 25.00 H new ATOM 0 HB3 LEU A 136 60.283 25.654 -4.510 1.00 25.00 H new ATOM 0 HG LEU A 136 58.220 25.966 -3.128 1.00 25.00 H new ATOM 0 HD11 LEU A 136 56.489 27.537 -3.913 1.00 25.00 H new ATOM 0 HD12 LEU A 136 57.945 28.390 -3.346 1.00 25.00 H new ATOM 0 HD13 LEU A 136 57.640 28.214 -5.090 1.00 25.00 H new ATOM 0 HD21 LEU A 136 56.674 25.308 -4.987 1.00 25.00 H new ATOM 0 HD22 LEU A 136 57.857 25.913 -6.171 1.00 25.00 H new ATOM 0 HD23 LEU A 136 58.257 24.511 -5.150 1.00 25.00 H new ATOM 911 N GLU A 137 61.309 25.651 -1.864 1.00 25.00 N ATOM 912 CA GLU A 137 61.313 24.874 -0.621 1.00 25.00 C ATOM 913 C GLU A 137 61.964 25.644 0.527 1.00 25.00 C ATOM 914 O GLU A 137 61.605 25.473 1.690 1.00 25.00 O ATOM 915 CB GLU A 137 62.087 23.572 -0.818 1.00 25.00 C ATOM 916 CG GLU A 137 61.405 22.556 -1.720 1.00 25.00 C ATOM 917 CD GLU A 137 60.082 22.053 -1.152 1.00 25.00 C ATOM 918 OE1 GLU A 137 60.069 21.548 -0.007 1.00 25.00 O1- ATOM 919 OE2 GLU A 137 59.058 22.132 -1.865 1.00 25.00 O1- ATOM 0 H GLU A 137 61.939 25.298 -2.584 1.00 25.00 H new ATOM 0 HA GLU A 137 60.272 24.671 -0.369 1.00 25.00 H new ATOM 0 HB2 GLU A 137 63.066 23.807 -1.235 1.00 25.00 H new ATOM 0 HB3 GLU A 137 62.257 23.115 0.157 1.00 25.00 H new ATOM 0 HG2 GLU A 137 61.228 23.006 -2.697 1.00 25.00 H new ATOM 0 HG3 GLU A 137 62.073 21.709 -1.876 1.00 25.00 H new ATOM 926 N SER A 138 62.958 26.463 0.208 1.00 25.00 N ATOM 927 CA SER A 138 63.715 27.169 1.240 1.00 25.00 C ATOM 928 C SER A 138 63.155 28.561 1.564 1.00 25.00 C ATOM 929 O SER A 138 63.490 29.131 2.603 1.00 25.00 O ATOM 930 CB SER A 138 65.185 27.265 0.835 1.00 25.00 C ATOM 931 OG SER A 138 65.341 27.943 -0.394 1.00 25.00 O ATOM 0 H SER A 138 63.259 26.655 -0.747 1.00 25.00 H new ATOM 0 HA SER A 138 63.619 26.583 2.154 1.00 25.00 H new ATOM 0 HB2 SER A 138 65.744 27.786 1.612 1.00 25.00 H new ATOM 0 HB3 SER A 138 65.607 26.263 0.755 1.00 25.00 H new ATOM 0 HG SER A 138 65.155 27.327 -1.133 1.00 25.00 H new ATOM 937 N GLY A 139 62.297 29.097 0.704 1.00 25.00 N ATOM 938 CA GLY A 139 61.665 30.388 0.962 1.00 25.00 C ATOM 939 C GLY A 139 62.615 31.575 0.913 1.00 25.00 C ATOM 940 O GLY A 139 62.450 32.534 1.668 1.00 25.00 O ATOM 0 H GLY A 139 62.023 28.660 -0.176 1.00 25.00 H new ATOM 0 HA2 GLY A 139 60.872 30.543 0.231 1.00 25.00 H new ATOM 0 HA3 GLY A 139 61.192 30.357 1.944 1.00 25.00 H new ATOM 944 N ILE A 140 63.625 31.505 0.057 1.00 25.00 N ATOM 945 CA ILE A 140 64.671 32.538 0.006 1.00 25.00 C ATOM 946 C ILE A 140 64.630 33.391 -1.267 1.00 25.00 C ATOM 947 O ILE A 140 64.137 32.953 -2.293 1.00 25.00 O ATOM 948 CB ILE A 140 66.076 31.875 0.108 1.00 25.00 C ATOM 949 CG1 ILE A 140 66.357 31.007 -1.140 1.00 25.00 C ATOM 950 CG2 ILE A 140 66.174 31.051 1.419 1.00 25.00 C ATOM 951 CD1 ILE A 140 67.696 30.315 -1.133 1.00 25.00 C ATOM 0 H ILE A 140 63.749 30.747 -0.615 1.00 25.00 H new ATOM 0 HA ILE A 140 64.481 33.200 0.851 1.00 25.00 H new ATOM 0 HB ILE A 140 66.841 32.651 0.140 1.00 25.00 H new ATOM 0 HG12 ILE A 140 65.574 30.254 -1.227 1.00 25.00 H new ATOM 0 HG13 ILE A 140 66.293 31.637 -2.027 1.00 25.00 H new ATOM 0 HG21 ILE A 140 67.159 30.589 1.486 1.00 25.00 H new ATOM 0 HG22 ILE A 140 66.023 31.709 2.275 1.00 25.00 H new ATOM 0 HG23 ILE A 140 65.409 30.275 1.419 1.00 25.00 H new ATOM 0 HD11 ILE A 140 67.808 29.729 -2.045 1.00 25.00 H new ATOM 0 HD12 ILE A 140 68.490 31.060 -1.081 1.00 25.00 H new ATOM 0 HD13 ILE A 140 67.760 29.655 -0.268 1.00 25.00 H new ATOM 963 N PRO A 141 65.176 34.624 -1.223 1.00 25.00 N ATOM 964 CA PRO A 141 65.266 35.330 -2.507 1.00 25.00 C ATOM 965 C PRO A 141 66.320 34.681 -3.411 1.00 25.00 C ATOM 966 O PRO A 141 67.496 34.613 -3.042 1.00 25.00 O ATOM 967 CB PRO A 141 65.712 36.749 -2.092 1.00 25.00 C ATOM 968 CG PRO A 141 65.469 36.816 -0.606 1.00 25.00 C ATOM 969 CD PRO A 141 65.752 35.433 -0.138 1.00 25.00 C ATOM 0 HA PRO A 141 64.333 35.315 -3.071 1.00 25.00 H new ATOM 0 HB2 PRO A 141 66.763 36.917 -2.328 1.00 25.00 H new ATOM 0 HB3 PRO A 141 65.141 37.512 -2.620 1.00 25.00 H new ATOM 0 HG2 PRO A 141 66.124 37.543 -0.126 1.00 25.00 H new ATOM 0 HG3 PRO A 141 64.445 37.113 -0.381 1.00 25.00 H new ATOM 0 HD2 PRO A 141 66.820 35.253 -0.017 1.00 25.00 H new ATOM 0 HD3 PRO A 141 65.282 35.222 0.823 1.00 25.00 H new ATOM 977 N ALA A 142 65.929 34.218 -4.593 1.00 25.00 N ATOM 978 CA ALA A 142 66.873 33.553 -5.502 1.00 25.00 C ATOM 979 C ALA A 142 68.044 34.462 -5.885 1.00 25.00 C ATOM 980 O ALA A 142 69.180 34.007 -6.029 1.00 25.00 O ATOM 981 CB ALA A 142 66.145 33.093 -6.770 1.00 25.00 C ATOM 0 H ALA A 142 64.975 34.287 -4.948 1.00 25.00 H new ATOM 0 HA ALA A 142 67.280 32.692 -4.972 1.00 25.00 H new ATOM 0 HB1 ALA A 142 66.853 32.601 -7.438 1.00 25.00 H new ATOM 0 HB2 ALA A 142 65.353 32.394 -6.502 1.00 25.00 H new ATOM 0 HB3 ALA A 142 65.711 33.957 -7.274 1.00 25.00 H new ATOM 987 N ALA A 143 67.758 35.746 -6.052 1.00 25.00 N ATOM 988 CA ALA A 143 68.760 36.725 -6.475 1.00 25.00 C ATOM 989 C ALA A 143 69.898 36.894 -5.458 1.00 25.00 C ATOM 990 O ALA A 143 70.995 37.315 -5.807 1.00 25.00 O ATOM 991 CB ALA A 143 68.073 38.080 -6.716 1.00 25.00 C ATOM 0 H ALA A 143 66.830 36.141 -5.900 1.00 25.00 H new ATOM 0 HA ALA A 143 69.212 36.353 -7.394 1.00 25.00 H new ATOM 0 HB1 ALA A 143 68.815 38.813 -7.031 1.00 25.00 H new ATOM 0 HB2 ALA A 143 67.317 37.971 -7.494 1.00 25.00 H new ATOM 0 HB3 ALA A 143 67.599 38.417 -5.794 1.00 25.00 H new ATOM 997 N GLU A 144 69.621 36.587 -4.200 1.00 25.00 N ATOM 998 CA GLU A 144 70.585 36.777 -3.117 1.00 25.00 C ATOM 999 C GLU A 144 71.243 35.452 -2.719 1.00 25.00 C ATOM 1000 O GLU A 144 71.826 35.337 -1.639 1.00 25.00 O ATOM 1001 CB GLU A 144 69.879 37.389 -1.898 1.00 25.00 C ATOM 1002 CG GLU A 144 69.309 38.778 -2.164 1.00 25.00 C ATOM 1003 CD GLU A 144 68.663 39.385 -0.926 1.00 25.00 C ATOM 1004 OE1 GLU A 144 69.362 39.551 0.098 1.00 25.00 O1- ATOM 1005 OE2 GLU A 144 67.450 39.691 -0.975 1.00 25.00 O1- ATOM 0 H GLU A 144 68.727 36.201 -3.898 1.00 25.00 H new ATOM 0 HA GLU A 144 71.365 37.451 -3.471 1.00 25.00 H new ATOM 0 HB2 GLU A 144 69.072 36.727 -1.584 1.00 25.00 H new ATOM 0 HB3 GLU A 144 70.585 37.446 -1.069 1.00 25.00 H new ATOM 0 HG2 GLU A 144 70.106 39.434 -2.514 1.00 25.00 H new ATOM 0 HG3 GLU A 144 68.571 38.718 -2.964 1.00 25.00 H new ATOM 1012 N SER A 145 71.119 34.433 -3.566 1.00 25.00 N ATOM 1013 CA SER A 145 71.627 33.106 -3.222 1.00 25.00 C ATOM 1014 C SER A 145 72.450 32.441 -4.324 1.00 25.00 C ATOM 1015 O SER A 145 72.334 32.767 -5.504 1.00 25.00 O ATOM 1016 CB SER A 145 70.453 32.204 -2.860 1.00 25.00 C ATOM 1017 OG SER A 145 69.701 31.856 -4.009 1.00 25.00 O ATOM 0 H SER A 145 70.678 34.497 -4.483 1.00 25.00 H new ATOM 0 HA SER A 145 72.305 33.246 -2.380 1.00 25.00 H new ATOM 0 HB2 SER A 145 70.822 31.300 -2.376 1.00 25.00 H new ATOM 0 HB3 SER A 145 69.810 32.711 -2.141 1.00 25.00 H new ATOM 0 HG SER A 145 69.601 32.643 -4.585 1.00 25.00 H new ATOM 1023 N GLN A 146 73.281 31.491 -3.919 1.00 25.00 N ATOM 1024 CA GLN A 146 74.098 30.710 -4.846 1.00 25.00 C ATOM 1025 C GLN A 146 74.037 29.240 -4.461 1.00 25.00 C ATOM 1026 O GLN A 146 73.844 28.910 -3.294 1.00 25.00 O ATOM 1027 CB GLN A 146 75.553 31.169 -4.819 1.00 25.00 C ATOM 1028 CG GLN A 146 75.748 32.602 -5.269 1.00 25.00 C ATOM 1029 CD GLN A 146 77.177 32.877 -5.639 1.00 25.00 C ATOM 1030 OE1 GLN A 146 77.999 33.202 -4.802 1.00 25.00 O ATOM 1031 NE2 GLN A 146 77.487 32.702 -6.896 1.00 25.00 N ATOM 0 H GLN A 146 73.410 31.238 -2.939 1.00 25.00 H new ATOM 0 HA GLN A 146 73.704 30.856 -5.852 1.00 25.00 H new ATOM 0 HB2 GLN A 146 75.940 31.060 -3.806 1.00 25.00 H new ATOM 0 HB3 GLN A 146 76.144 30.513 -5.459 1.00 25.00 H new ATOM 0 HG2 GLN A 146 75.105 32.806 -6.125 1.00 25.00 H new ATOM 0 HG3 GLN A 146 75.442 33.279 -4.472 1.00 25.00 H new ATOM 0 HE21 GLN A 146 76.767 32.429 -7.566 1.00 25.00 H new ATOM 0 HE22 GLN A 146 78.449 32.838 -7.208 1.00 25.00 H new ATOM 1040 N ILE A 147 74.199 28.368 -5.442 1.00 25.00 N ATOM 1041 CA ILE A 147 74.069 26.925 -5.220 1.00 25.00 C ATOM 1042 C ILE A 147 75.309 26.186 -5.755 1.00 25.00 C ATOM 1043 O ILE A 147 75.846 26.519 -6.827 1.00 25.00 O ATOM 1044 CB ILE A 147 72.718 26.425 -5.846 1.00 25.00 C ATOM 1045 CG1 ILE A 147 72.416 24.987 -5.391 1.00 25.00 C ATOM 1046 CG2 ILE A 147 72.714 26.566 -7.393 1.00 25.00 C ATOM 1047 CD1 ILE A 147 71.108 24.404 -5.959 1.00 25.00 C ATOM 0 H ILE A 147 74.421 28.628 -6.403 1.00 25.00 H new ATOM 0 HA ILE A 147 74.029 26.704 -4.153 1.00 25.00 H new ATOM 0 HB ILE A 147 71.914 27.064 -5.480 1.00 25.00 H new ATOM 0 HG12 ILE A 147 73.245 24.343 -5.686 1.00 25.00 H new ATOM 0 HG13 ILE A 147 72.367 24.966 -4.302 1.00 25.00 H new ATOM 0 HG21 ILE A 147 71.763 26.210 -7.788 1.00 25.00 H new ATOM 0 HG22 ILE A 147 72.850 27.613 -7.663 1.00 25.00 H new ATOM 0 HG23 ILE A 147 73.527 25.974 -7.814 1.00 25.00 H new ATOM 0 HD11 ILE A 147 70.972 23.388 -5.589 1.00 25.00 H new ATOM 0 HD12 ILE A 147 70.267 25.021 -5.643 1.00 25.00 H new ATOM 0 HD13 ILE A 147 71.159 24.390 -7.048 1.00 25.00 H new ATOM 1059 N VAL A 148 75.808 25.239 -4.962 1.00 25.00 N ATOM 1060 CA VAL A 148 77.025 24.494 -5.281 1.00 25.00 C ATOM 1061 C VAL A 148 76.827 22.992 -5.012 1.00 25.00 C ATOM 1062 O VAL A 148 76.025 22.600 -4.173 1.00 25.00 O ATOM 1063 CB VAL A 148 78.276 25.018 -4.456 1.00 25.00 C ATOM 1064 CG1 VAL A 148 78.502 26.522 -4.683 1.00 25.00 C ATOM 1065 CG2 VAL A 148 78.126 24.768 -2.961 1.00 25.00 C ATOM 0 H VAL A 148 75.379 24.966 -4.078 1.00 25.00 H new ATOM 0 HA VAL A 148 77.226 24.653 -6.341 1.00 25.00 H new ATOM 0 HB VAL A 148 79.135 24.456 -4.821 1.00 25.00 H new ATOM 0 HG11 VAL A 148 79.365 26.852 -4.105 1.00 25.00 H new ATOM 0 HG12 VAL A 148 78.682 26.707 -5.742 1.00 25.00 H new ATOM 0 HG13 VAL A 148 77.619 27.075 -4.363 1.00 25.00 H new ATOM 0 HG21 VAL A 148 79.006 25.144 -2.439 1.00 25.00 H new ATOM 0 HG22 VAL A 148 77.239 25.283 -2.593 1.00 25.00 H new ATOM 0 HG23 VAL A 148 78.026 23.698 -2.779 1.00 25.00 H new ATOM 1075 N TYR A 149 77.564 22.159 -5.722 1.00 25.00 N ATOM 1076 CA TYR A 149 77.511 20.706 -5.563 1.00 25.00 C ATOM 1077 C TYR A 149 78.941 20.222 -5.685 1.00 25.00 C ATOM 1078 O TYR A 149 79.691 20.758 -6.500 1.00 25.00 O ATOM 1079 CB TYR A 149 76.642 20.085 -6.651 1.00 25.00 C ATOM 1080 CG TYR A 149 76.857 18.602 -6.833 1.00 25.00 C ATOM 1081 CD1 TYR A 149 76.601 17.692 -5.785 1.00 25.00 C ATOM 1082 CD2 TYR A 149 77.312 18.096 -8.063 1.00 25.00 C ATOM 1083 CE1 TYR A 149 76.808 16.299 -5.971 1.00 25.00 C ATOM 1084 CE2 TYR A 149 77.503 16.710 -8.254 1.00 25.00 C ATOM 1085 CZ TYR A 149 77.255 15.821 -7.208 1.00 25.00 C ATOM 1086 OH TYR A 149 77.444 14.481 -7.433 1.00 25.00 O ATOM 0 H TYR A 149 78.225 22.469 -6.434 1.00 25.00 H new ATOM 0 HA TYR A 149 77.075 20.423 -4.605 1.00 25.00 H new ATOM 0 HB2 TYR A 149 75.594 20.264 -6.411 1.00 25.00 H new ATOM 0 HB3 TYR A 149 76.843 20.590 -7.596 1.00 25.00 H new ATOM 0 HD1 TYR A 149 76.245 18.058 -4.833 1.00 25.00 H new ATOM 0 HD2 TYR A 149 77.519 18.778 -8.875 1.00 25.00 H new ATOM 0 HE1 TYR A 149 76.621 15.611 -5.160 1.00 25.00 H new ATOM 0 HE2 TYR A 149 77.841 16.338 -9.210 1.00 25.00 H new ATOM 0 HH TYR A 149 77.756 14.344 -8.352 1.00 25.00 H new ATOM 1096 N ALA A 150 79.341 19.288 -4.825 1.00 25.00 N ATOM 1097 CA ALA A 150 80.730 18.810 -4.753 1.00 25.00 C ATOM 1098 C ALA A 150 81.693 20.004 -4.604 1.00 25.00 C ATOM 1099 O ALA A 150 82.767 20.041 -5.206 1.00 25.00 O ATOM 1100 CB ALA A 150 81.074 17.954 -5.991 1.00 25.00 C ATOM 0 H ALA A 150 78.716 18.838 -4.156 1.00 25.00 H new ATOM 0 HA ALA A 150 80.843 18.175 -3.874 1.00 25.00 H new ATOM 0 HB1 ALA A 150 82.106 17.609 -5.920 1.00 25.00 H new ATOM 0 HB2 ALA A 150 80.406 17.094 -6.035 1.00 25.00 H new ATOM 0 HB3 ALA A 150 80.953 18.554 -6.893 1.00 25.00 H new ATOM 1106 N GLU A 151 81.241 20.987 -3.828 1.00 25.00 N ATOM 1107 CA GLU A 151 81.964 22.245 -3.557 1.00 25.00 C ATOM 1108 C GLU A 151 82.311 23.067 -4.816 1.00 25.00 C ATOM 1109 O GLU A 151 83.201 23.917 -4.798 1.00 25.00 O ATOM 1110 CB GLU A 151 83.224 21.977 -2.713 1.00 25.00 C ATOM 1111 CG GLU A 151 82.914 21.279 -1.386 1.00 25.00 C ATOM 1112 CD GLU A 151 84.133 21.167 -0.478 1.00 25.00 C ATOM 1113 OE1 GLU A 151 85.272 21.374 -0.956 1.00 25.00 O ATOM 1114 OE2 GLU A 151 83.946 20.876 0.722 1.00 25.00 O1- ATOM 0 H GLU A 151 80.339 20.937 -3.354 1.00 25.00 H new ATOM 0 HA GLU A 151 81.269 22.865 -2.990 1.00 25.00 H new ATOM 0 HB2 GLU A 151 83.917 21.362 -3.288 1.00 25.00 H new ATOM 0 HB3 GLU A 151 83.728 22.922 -2.512 1.00 25.00 H new ATOM 0 HG2 GLU A 151 82.129 21.829 -0.866 1.00 25.00 H new ATOM 0 HG3 GLU A 151 82.524 20.281 -1.588 1.00 25.00 H new ATOM 1121 N ARG A 152 81.570 22.846 -5.895 1.00 25.00 N ATOM 1122 CA ARG A 152 81.776 23.573 -7.158 1.00 25.00 C ATOM 1123 C ARG A 152 80.461 24.223 -7.574 1.00 25.00 C ATOM 1124 O ARG A 152 79.391 23.680 -7.306 1.00 25.00 O ATOM 1125 CB ARG A 152 82.240 22.597 -8.238 1.00 25.00 C ATOM 1126 CG ARG A 152 83.601 21.986 -7.938 1.00 25.00 C ATOM 1127 CD ARG A 152 83.847 20.760 -8.787 1.00 25.00 C ATOM 1128 NE ARG A 152 85.094 20.094 -8.385 1.00 25.00 N ATOM 1129 CZ ARG A 152 85.595 19.006 -8.954 1.00 25.00 C ATOM 1130 NH1 ARG A 152 85.010 18.413 -9.967 1.00 25.00 N1+ ATOM 1131 NH2 ARG A 152 86.706 18.506 -8.491 1.00 25.00 N ATOM 0 H ARG A 152 80.812 22.164 -5.928 1.00 25.00 H new ATOM 0 HA ARG A 152 82.537 24.342 -7.026 1.00 25.00 H new ATOM 0 HB2 ARG A 152 81.504 21.800 -8.341 1.00 25.00 H new ATOM 0 HB3 ARG A 152 82.283 23.116 -9.196 1.00 25.00 H new ATOM 0 HG2 ARG A 152 84.383 22.723 -8.123 1.00 25.00 H new ATOM 0 HG3 ARG A 152 83.658 21.719 -6.883 1.00 25.00 H new ATOM 0 HD2 ARG A 152 83.011 20.068 -8.687 1.00 25.00 H new ATOM 0 HD3 ARG A 152 83.902 21.044 -9.838 1.00 25.00 H new ATOM 0 HE ARG A 152 85.615 20.500 -7.608 1.00 25.00 H new ATOM 0 HH11 ARG A 152 84.139 18.787 -10.343 1.00 25.00 H new ATOM 0 HH12 ARG A 152 85.426 17.577 -10.378 1.00 25.00 H new ATOM 0 HH21 ARG A 152 87.176 18.951 -7.703 1.00 25.00 H new ATOM 0 HH22 ARG A 152 87.105 17.670 -8.917 1.00 25.00 H new ATOM 1145 N PRO A 153 80.511 25.413 -8.199 1.00 25.00 N ATOM 1146 CA PRO A 153 79.229 26.060 -8.501 1.00 25.00 C ATOM 1147 C PRO A 153 78.422 25.393 -9.605 1.00 25.00 C ATOM 1148 O PRO A 153 78.970 24.846 -10.562 1.00 25.00 O ATOM 1149 CB PRO A 153 79.654 27.472 -8.906 1.00 25.00 C ATOM 1150 CG PRO A 153 81.000 27.290 -9.500 1.00 25.00 C ATOM 1151 CD PRO A 153 81.648 26.251 -8.619 1.00 25.00 C ATOM 0 HA PRO A 153 78.553 26.012 -7.647 1.00 25.00 H new ATOM 0 HB2 PRO A 153 78.958 27.907 -9.623 1.00 25.00 H new ATOM 0 HB3 PRO A 153 79.685 28.141 -8.046 1.00 25.00 H new ATOM 0 HG2 PRO A 153 80.938 26.954 -10.535 1.00 25.00 H new ATOM 0 HG3 PRO A 153 81.566 28.222 -9.501 1.00 25.00 H new ATOM 0 HD2 PRO A 153 82.396 25.673 -9.161 1.00 25.00 H new ATOM 0 HD3 PRO A 153 82.152 26.704 -7.765 1.00 25.00 H new ATOM 1159 N LEU A 154 77.108 25.458 -9.460 1.00 25.00 N ATOM 1160 CA LEU A 154 76.174 24.899 -10.429 1.00 25.00 C ATOM 1161 C LEU A 154 75.592 26.039 -11.258 1.00 0.00 C ATOM 1162 O LEU A 154 74.670 26.728 -10.820 1.00 25.00 O ATOM 1163 CB LEU A 154 75.046 24.203 -9.685 1.00 25.00 C ATOM 1164 CG LEU A 154 75.299 22.835 -9.043 1.00 25.00 C ATOM 1165 CD1 LEU A 154 74.141 22.524 -8.100 1.00 25.00 C ATOM 1166 CD2 LEU A 154 75.392 21.745 -10.100 1.00 25.00 C ATOM 0 H LEU A 154 76.655 25.903 -8.662 1.00 25.00 H new ATOM 0 HA LEU A 154 76.685 24.186 -11.076 1.00 25.00 H new ATOM 0 HB2 LEU A 154 74.709 24.877 -8.897 1.00 25.00 H new ATOM 0 HB3 LEU A 154 74.216 24.088 -10.382 1.00 25.00 H new ATOM 0 HG LEU A 154 76.244 22.865 -8.500 1.00 25.00 H new ATOM 0 HD11 LEU A 154 74.303 21.553 -7.633 1.00 25.00 H new ATOM 0 HD12 LEU A 154 74.083 23.292 -7.329 1.00 25.00 H new ATOM 0 HD13 LEU A 154 73.208 22.504 -8.663 1.00 25.00 H new ATOM 0 HD21 LEU A 154 75.572 20.784 -9.617 1.00 25.00 H new ATOM 0 HD22 LEU A 154 74.458 21.700 -10.660 1.00 25.00 H new ATOM 0 HD23 LEU A 154 76.213 21.968 -10.781 1.00 25.00 H new ATOM 1178 N THR A 155 76.160 26.279 -12.430 1.00 25.00 N ATOM 1179 CA THR A 155 75.758 27.432 -13.242 1.00 25.00 C ATOM 1180 C THR A 155 75.040 27.101 -14.547 1.00 25.00 C ATOM 1181 O THR A 155 74.094 27.791 -14.918 1.00 25.00 O ATOM 1182 CB THR A 155 77.009 28.265 -13.607 1.00 25.00 C ATOM 1183 OG1 THR A 155 77.989 27.416 -14.213 1.00 25.00 O ATOM 1184 CG2 THR A 155 77.634 28.868 -12.356 1.00 25.00 C ATOM 0 H THR A 155 76.893 25.702 -12.842 1.00 25.00 H new ATOM 0 HA THR A 155 75.046 27.972 -12.617 1.00 25.00 H new ATOM 0 HB THR A 155 76.701 29.057 -14.289 1.00 25.00 H new ATOM 0 HG1 THR A 155 78.781 27.945 -14.446 1.00 25.00 H new ATOM 0 HG21 THR A 155 78.513 29.450 -12.633 1.00 25.00 H new ATOM 0 HG22 THR A 155 76.909 29.516 -11.864 1.00 25.00 H new ATOM 0 HG23 THR A 155 77.928 28.069 -11.675 1.00 25.00 H new ATOM 1192 N ASP A 156 75.529 26.109 -15.271 1.00 25.00 N ATOM 1193 CA ASP A 156 75.095 25.859 -16.647 1.00 25.00 C ATOM 1194 C ASP A 156 73.632 25.460 -16.811 1.00 25.00 C ATOM 1195 O ASP A 156 73.245 24.347 -16.480 1.00 25.00 O ATOM 1196 CB ASP A 156 75.947 24.753 -17.277 1.00 25.00 C ATOM 1197 CG ASP A 156 77.428 25.003 -17.126 1.00 25.00 C ATOM 1198 OD1 ASP A 156 77.885 26.137 -17.358 1.00 25.00 O1- ATOM 1199 OD2 ASP A 156 78.133 24.057 -16.714 1.00 25.00 O1- ATOM 0 H ASP A 156 76.233 25.455 -14.931 1.00 25.00 H new ATOM 0 HA ASP A 156 75.221 26.820 -17.145 1.00 25.00 H new ATOM 0 HB2 ASP A 156 75.695 23.798 -16.816 1.00 25.00 H new ATOM 0 HB3 ASP A 156 75.703 24.670 -18.336 1.00 25.00 H new ATOM 1204 N ASN A 157 72.848 26.315 -17.449 1.00 25.00 N ATOM 1205 CA ASN A 157 71.491 25.938 -17.845 1.00 25.00 C ATOM 1206 C ASN A 157 71.579 24.980 -19.036 1.00 25.00 C ATOM 1207 O ASN A 157 70.592 24.408 -19.453 1.00 25.00 O ATOM 1208 CB ASN A 157 70.672 27.170 -18.238 1.00 25.00 C ATOM 1209 CG ASN A 157 71.158 27.802 -19.520 1.00 25.00 C ATOM 1210 OD1 ASN A 157 72.299 28.221 -19.620 1.00 25.00 O ATOM 1211 ND2 ASN A 157 70.306 27.861 -20.501 1.00 25.00 N ATOM 0 H ASN A 157 73.119 27.265 -17.703 1.00 25.00 H new ATOM 0 HA ASN A 157 70.995 25.456 -17.002 1.00 25.00 H new ATOM 0 HB2 ASN A 157 69.626 26.886 -18.351 1.00 25.00 H new ATOM 0 HB3 ASN A 157 70.718 27.905 -17.434 1.00 25.00 H new ATOM 0 HD21 ASN A 157 70.584 28.269 -21.394 1.00 25.00 H new ATOM 0 HD22 ASN A 157 69.360 27.499 -20.378 1.00 25.00 H new ATOM 1218 N HIS A 158 72.787 24.807 -19.560 1.00 25.00 N ATOM 1219 CA HIS A 158 73.046 23.883 -20.662 1.00 25.00 C ATOM 1220 C HIS A 158 73.219 22.443 -20.163 1.00 25.00 C ATOM 1221 O HIS A 158 73.553 21.550 -20.940 1.00 25.00 O ATOM 1222 CB HIS A 158 74.336 24.300 -21.379 1.00 25.00 C ATOM 1223 CG HIS A 158 74.328 25.714 -21.869 1.00 25.00 C ATOM 1224 ND1 HIS A 158 73.455 26.205 -22.807 1.00 25.00 N ATOM 1225 CD2 HIS A 158 75.124 26.772 -21.542 1.00 25.00 C ATOM 1226 CE1 HIS A 158 73.736 27.491 -23.003 1.00 25.00 C ATOM 1227 NE2 HIS A 158 74.751 27.888 -22.265 1.00 25.00 N ATOM 0 H HIS A 158 73.616 25.303 -19.234 1.00 25.00 H new ATOM 0 HA HIS A 158 72.190 23.921 -21.336 1.00 25.00 H new ATOM 0 HB2 HIS A 158 75.177 24.166 -20.699 1.00 25.00 H new ATOM 0 HB3 HIS A 158 74.501 23.633 -22.225 1.00 25.00 H new ATOM 0 HD2 HIS A 158 75.929 26.742 -20.822 1.00 25.00 H new ATOM 0 HE1 HIS A 158 73.196 28.131 -23.685 1.00 25.00 H new ATOM 0 HE2 HIS A 158 75.171 28.817 -22.234 1.00 25.00 H new ATOM 1235 N ARG A 159 73.043 22.230 -18.865 1.00 25.00 N ATOM 1236 CA ARG A 159 73.223 20.904 -18.272 1.00 25.00 C ATOM 1237 C ARG A 159 72.037 20.477 -17.429 1.00 25.00 C ATOM 1238 O ARG A 159 71.447 21.272 -16.703 1.00 25.00 O ATOM 1239 CB ARG A 159 74.466 20.893 -17.384 1.00 25.00 C ATOM 1240 CG ARG A 159 75.772 20.795 -18.148 1.00 25.00 C ATOM 1241 CD ARG A 159 76.934 20.573 -17.188 1.00 25.00 C ATOM 1242 NE ARG A 159 78.092 19.988 -17.878 1.00 25.00 N ATOM 1243 CZ ARG A 159 79.187 20.639 -18.255 1.00 25.00 C ATOM 1244 NH1 ARG A 159 79.384 21.910 -18.028 1.00 25.00 N1+ ATOM 1245 NH2 ARG A 159 80.117 19.973 -18.883 1.00 25.00 N ATOM 0 H ARG A 159 72.776 22.956 -18.200 1.00 25.00 H new ATOM 0 HA ARG A 159 73.327 20.205 -19.102 1.00 25.00 H new ATOM 0 HB2 ARG A 159 74.477 21.801 -16.782 1.00 25.00 H new ATOM 0 HB3 ARG A 159 74.398 20.053 -16.693 1.00 25.00 H new ATOM 0 HG2 ARG A 159 75.721 19.974 -18.863 1.00 25.00 H new ATOM 0 HG3 ARG A 159 75.935 21.708 -18.721 1.00 25.00 H new ATOM 0 HD2 ARG A 159 77.220 21.522 -16.734 1.00 25.00 H new ATOM 0 HD3 ARG A 159 76.619 19.914 -16.379 1.00 25.00 H new ATOM 0 HE ARG A 159 78.051 18.990 -18.087 1.00 25.00 H new ATOM 0 HH11 ARG A 159 78.676 22.456 -17.537 1.00 25.00 H new ATOM 0 HH12 ARG A 159 80.246 22.356 -18.342 1.00 25.00 H new ATOM 0 HH21 ARG A 159 79.992 18.979 -19.073 1.00 25.00 H new ATOM 0 HH22 ARG A 159 80.968 20.447 -19.184 1.00 25.00 H new ATOM 1259 N SER A 160 71.745 19.188 -17.492 1.00 25.00 N ATOM 1260 CA SER A 160 70.770 18.562 -16.622 1.00 25.00 C ATOM 1261 C SER A 160 71.511 18.127 -15.366 1.00 25.00 C ATOM 1262 O SER A 160 72.746 18.136 -15.336 1.00 25.00 O ATOM 1263 CB SER A 160 70.162 17.344 -17.310 1.00 25.00 C ATOM 1264 OG SER A 160 71.180 16.420 -17.680 1.00 25.00 O ATOM 0 H SER A 160 72.182 18.545 -18.153 1.00 25.00 H new ATOM 0 HA SER A 160 69.963 19.254 -16.382 1.00 25.00 H new ATOM 0 HB2 SER A 160 69.449 16.860 -16.643 1.00 25.00 H new ATOM 0 HB3 SER A 160 69.608 17.658 -18.195 1.00 25.00 H new ATOM 0 HG SER A 160 70.773 15.644 -18.119 1.00 25.00 H new ATOM 1270 N LEU A 161 70.783 17.720 -14.343 1.00 25.00 N ATOM 1271 CA LEU A 161 71.410 17.303 -13.092 1.00 25.00 C ATOM 1272 C LEU A 161 72.229 16.017 -13.292 1.00 25.00 C ATOM 1273 O LEU A 161 73.348 15.867 -12.750 1.00 25.00 O ATOM 1274 CB LEU A 161 70.317 17.133 -12.032 1.00 25.00 C ATOM 1275 CG LEU A 161 69.447 18.391 -11.822 1.00 25.00 C ATOM 1276 CD1 LEU A 161 68.315 18.085 -10.869 1.00 25.00 C ATOM 1277 CD2 LEU A 161 70.252 19.591 -11.300 1.00 25.00 C ATOM 0 H LEU A 161 69.764 17.667 -14.348 1.00 25.00 H new ATOM 0 HA LEU A 161 72.112 18.064 -12.753 1.00 25.00 H new ATOM 0 HB2 LEU A 161 69.673 16.302 -12.319 1.00 25.00 H new ATOM 0 HB3 LEU A 161 70.783 16.863 -11.084 1.00 25.00 H new ATOM 0 HG LEU A 161 69.051 18.668 -12.799 1.00 25.00 H new ATOM 0 HD11 LEU A 161 67.707 18.979 -10.727 1.00 25.00 H new ATOM 0 HD12 LEU A 161 67.697 17.288 -11.282 1.00 25.00 H new ATOM 0 HD13 LEU A 161 68.723 17.768 -9.909 1.00 25.00 H new ATOM 0 HD21 LEU A 161 69.588 20.446 -11.171 1.00 25.00 H new ATOM 0 HD22 LEU A 161 70.705 19.336 -10.342 1.00 25.00 H new ATOM 0 HD23 LEU A 161 71.034 19.843 -12.016 1.00 25.00 H new ATOM 1289 N ALA A 162 71.737 15.127 -14.148 1.00 25.00 N ATOM 1290 CA ALA A 162 72.474 13.910 -14.491 1.00 25.00 C ATOM 1291 C ALA A 162 73.819 14.234 -15.146 1.00 25.00 C ATOM 1292 O ALA A 162 74.771 13.483 -15.000 1.00 25.00 O ATOM 1293 CB ALA A 162 71.640 13.028 -15.410 1.00 25.00 C ATOM 0 H ALA A 162 70.836 15.222 -14.616 1.00 25.00 H new ATOM 0 HA ALA A 162 72.675 13.371 -13.565 1.00 25.00 H new ATOM 0 HB1 ALA A 162 72.201 12.127 -15.657 1.00 25.00 H new ATOM 0 HB2 ALA A 162 70.713 12.752 -14.907 1.00 25.00 H new ATOM 0 HB3 ALA A 162 71.408 13.573 -16.325 1.00 25.00 H new ATOM 1299 N SER A 163 73.911 15.368 -15.835 1.00 25.00 N ATOM 1300 CA SER A 163 75.170 15.757 -16.483 1.00 25.00 C ATOM 1301 C SER A 163 76.242 16.147 -15.470 1.00 25.00 C ATOM 1302 O SER A 163 77.421 16.173 -15.808 1.00 25.00 O ATOM 1303 CB SER A 163 74.966 16.930 -17.442 1.00 25.00 C ATOM 1304 OG SER A 163 76.190 17.233 -18.103 1.00 25.00 O ATOM 0 H SER A 163 73.144 16.028 -15.961 1.00 25.00 H new ATOM 0 HA SER A 163 75.504 14.879 -17.037 1.00 25.00 H new ATOM 0 HB2 SER A 163 74.198 16.683 -18.175 1.00 25.00 H new ATOM 0 HB3 SER A 163 74.613 17.803 -16.893 1.00 25.00 H new ATOM 0 HG SER A 163 76.942 16.927 -17.554 1.00 25.00 H new ATOM 1310 N TYR A 164 75.843 16.438 -14.237 1.00 25.00 N ATOM 1311 CA TYR A 164 76.803 16.724 -13.168 1.00 25.00 C ATOM 1312 C TYR A 164 77.065 15.462 -12.365 1.00 25.00 C ATOM 1313 O TYR A 164 77.923 15.437 -11.497 1.00 25.00 O ATOM 1314 CB TYR A 164 76.265 17.804 -12.230 1.00 25.00 C ATOM 1315 CG TYR A 164 76.312 19.183 -12.829 1.00 25.00 C ATOM 1316 CD1 TYR A 164 77.501 19.940 -12.790 1.00 25.00 C ATOM 1317 CD2 TYR A 164 75.176 19.749 -13.430 1.00 25.00 C ATOM 1318 CE1 TYR A 164 77.555 21.242 -13.356 1.00 25.00 C ATOM 1319 CE2 TYR A 164 75.223 21.048 -13.989 1.00 25.00 C ATOM 1320 CZ TYR A 164 76.416 21.786 -13.944 1.00 25.00 C ATOM 1321 OH TYR A 164 76.472 23.039 -14.491 1.00 25.00 O ATOM 0 H TYR A 164 74.865 16.483 -13.950 1.00 25.00 H new ATOM 0 HA TYR A 164 77.727 17.078 -13.625 1.00 25.00 H new ATOM 0 HB2 TYR A 164 75.235 17.565 -11.963 1.00 25.00 H new ATOM 0 HB3 TYR A 164 76.844 17.796 -11.306 1.00 25.00 H new ATOM 0 HD1 TYR A 164 78.382 19.525 -12.324 1.00 25.00 H new ATOM 0 HD2 TYR A 164 74.255 19.186 -13.466 1.00 25.00 H new ATOM 0 HE1 TYR A 164 78.475 21.807 -13.330 1.00 25.00 H new ATOM 0 HE2 TYR A 164 74.342 21.471 -14.450 1.00 25.00 H new ATOM 0 HH TYR A 164 77.141 23.054 -15.207 1.00 25.00 H new ATOM 1331 N GLY A 165 76.295 14.422 -12.654 1.00 25.00 N ATOM 1332 CA GLY A 165 76.378 13.197 -11.885 1.00 25.00 C ATOM 1333 C GLY A 165 75.581 13.300 -10.606 1.00 25.00 C ATOM 1334 O GLY A 165 75.823 12.541 -9.672 1.00 25.00 O ATOM 0 H GLY A 165 75.611 14.405 -13.411 1.00 25.00 H new ATOM 0 HA2 GLY A 165 76.007 12.364 -12.482 1.00 25.00 H new ATOM 0 HA3 GLY A 165 77.420 12.982 -11.651 1.00 25.00 H new ATOM 1338 N LEU A 166 74.616 14.220 -10.558 1.00 25.00 N ATOM 1339 CA LEU A 166 73.792 14.381 -9.355 1.00 25.00 C ATOM 1340 C LEU A 166 72.849 13.197 -9.223 1.00 25.00 C ATOM 1341 O LEU A 166 71.725 13.225 -9.705 1.00 25.00 O ATOM 1342 CB LEU A 166 72.997 15.690 -9.404 1.00 25.00 C ATOM 1343 CG LEU A 166 73.788 16.907 -8.923 1.00 25.00 C ATOM 1344 CD1 LEU A 166 73.266 18.195 -9.526 1.00 25.00 C ATOM 1345 CD2 LEU A 166 73.686 16.984 -7.419 1.00 25.00 C ATOM 0 H LEU A 166 74.387 14.855 -11.322 1.00 25.00 H new ATOM 0 HA LEU A 166 74.448 14.420 -8.486 1.00 25.00 H new ATOM 0 HB2 LEU A 166 72.664 15.865 -10.427 1.00 25.00 H new ATOM 0 HB3 LEU A 166 72.102 15.584 -8.792 1.00 25.00 H new ATOM 0 HG LEU A 166 74.824 16.790 -9.239 1.00 25.00 H new ATOM 0 HD11 LEU A 166 73.856 19.034 -9.158 1.00 25.00 H new ATOM 0 HD12 LEU A 166 73.343 18.146 -10.612 1.00 25.00 H new ATOM 0 HD13 LEU A 166 72.223 18.333 -9.242 1.00 25.00 H new ATOM 0 HD21 LEU A 166 74.246 17.848 -7.060 1.00 25.00 H new ATOM 0 HD22 LEU A 166 72.640 17.084 -7.130 1.00 25.00 H new ATOM 0 HD23 LEU A 166 74.099 16.076 -6.979 1.00 25.00 H new ATOM 1357 N LYS A 167 73.345 12.137 -8.611 1.00 25.00 N ATOM 1358 CA LYS A 167 72.587 10.903 -8.416 1.00 25.00 C ATOM 1359 C LYS A 167 71.685 10.977 -7.193 1.00 25.00 C ATOM 1360 O LYS A 167 71.856 11.818 -6.331 1.00 25.00 O ATOM 1361 CB LYS A 167 73.565 9.731 -8.251 1.00 25.00 C ATOM 1362 CG LYS A 167 74.114 9.157 -9.575 1.00 25.00 C ATOM 1363 CD LYS A 167 73.023 8.486 -10.432 1.00 25.00 C ATOM 1364 CE LYS A 167 72.481 7.201 -9.789 1.00 25.00 C ATOM 1365 NZ LYS A 167 71.084 6.924 -10.233 1.00 25.00 N1+ ATOM 0 H LYS A 167 74.291 12.103 -8.231 1.00 25.00 H new ATOM 0 HA LYS A 167 71.954 10.757 -9.291 1.00 25.00 H new ATOM 0 HB2 LYS A 167 74.404 10.059 -7.638 1.00 25.00 H new ATOM 0 HB3 LYS A 167 73.064 8.932 -7.704 1.00 25.00 H new ATOM 0 HG2 LYS A 167 74.578 9.959 -10.149 1.00 25.00 H new ATOM 0 HG3 LYS A 167 74.895 8.429 -9.354 1.00 25.00 H new ATOM 0 HD2 LYS A 167 72.202 9.187 -10.584 1.00 25.00 H new ATOM 0 HD3 LYS A 167 73.430 8.253 -11.416 1.00 25.00 H new ATOM 0 HE2 LYS A 167 73.123 6.360 -10.053 1.00 25.00 H new ATOM 0 HE3 LYS A 167 72.509 7.295 -8.703 1.00 25.00 H new ATOM 0 HZ1 LYS A 167 70.907 5.900 -10.202 1.00 25.00 H new ATOM 0 HZ2 LYS A 167 70.416 7.410 -9.601 1.00 25.00 H new ATOM 0 HZ3 LYS A 167 70.954 7.269 -11.206 1.00 25.00 H new ATOM 1379 N ASP A 168 70.748 10.042 -7.105 1.00 25.00 N ATOM 1380 CA ASP A 168 69.885 9.924 -5.939 1.00 25.00 C ATOM 1381 C ASP A 168 70.750 9.771 -4.700 1.00 25.00 C ATOM 1382 O ASP A 168 71.643 8.927 -4.650 1.00 25.00 O ATOM 1383 CB ASP A 168 68.926 8.717 -6.045 1.00 25.00 C ATOM 1384 CG ASP A 168 69.538 7.530 -6.778 1.00 25.00 C ATOM 1385 OD1 ASP A 168 69.736 7.655 -8.013 1.00 25.00 O ATOM 1386 OD2 ASP A 168 69.752 6.461 -6.173 1.00 25.00 O1- ATOM 0 H ASP A 168 70.566 9.351 -7.833 1.00 25.00 H new ATOM 0 HA ASP A 168 69.275 10.825 -5.878 1.00 25.00 H new ATOM 0 HB2 ASP A 168 68.632 8.405 -5.043 1.00 25.00 H new ATOM 0 HB3 ASP A 168 68.018 9.027 -6.562 1.00 25.00 H new ATOM 1391 N GLY A 169 70.497 10.628 -3.728 1.00 25.00 N ATOM 1392 CA GLY A 169 71.248 10.628 -2.486 1.00 25.00 C ATOM 1393 C GLY A 169 72.321 11.697 -2.399 1.00 25.00 C ATOM 1394 O GLY A 169 72.845 11.936 -1.313 1.00 25.00 O ATOM 0 H GLY A 169 69.769 11.341 -3.776 1.00 25.00 H new ATOM 0 HA2 GLY A 169 70.554 10.760 -1.656 1.00 25.00 H new ATOM 0 HA3 GLY A 169 71.715 9.651 -2.359 1.00 25.00 H new ATOM 1398 N ASP A 170 72.648 12.355 -3.504 1.00 25.00 N ATOM 1399 CA ASP A 170 73.654 13.421 -3.471 1.00 25.00 C ATOM 1400 C ASP A 170 73.173 14.616 -2.659 1.00 25.00 C ATOM 1401 O ASP A 170 71.966 14.912 -2.596 1.00 25.00 O ATOM 1402 CB ASP A 170 74.008 13.906 -4.876 1.00 25.00 C ATOM 1403 CG ASP A 170 75.283 13.288 -5.394 1.00 25.00 C ATOM 1404 OD1 ASP A 170 76.297 13.345 -4.667 1.00 25.00 O ATOM 1405 OD2 ASP A 170 75.310 12.824 -6.546 1.00 25.00 O1- ATOM 0 H ASP A 170 72.242 12.177 -4.423 1.00 25.00 H new ATOM 0 HA ASP A 170 74.538 12.990 -3.002 1.00 25.00 H new ATOM 0 HB2 ASP A 170 73.190 13.669 -5.556 1.00 25.00 H new ATOM 0 HB3 ASP A 170 74.111 14.991 -4.868 1.00 25.00 H new ATOM 1410 N VAL A 171 74.127 15.316 -2.063 1.00 25.00 N ATOM 1411 CA VAL A 171 73.845 16.494 -1.248 1.00 25.00 C ATOM 1412 C VAL A 171 74.333 17.752 -1.962 1.00 25.00 C ATOM 1413 O VAL A 171 75.501 17.862 -2.354 1.00 25.00 O ATOM 1414 CB VAL A 171 74.512 16.391 0.158 1.00 25.00 C ATOM 1415 CG1 VAL A 171 74.157 17.614 1.027 1.00 25.00 C ATOM 1416 CG2 VAL A 171 74.056 15.106 0.875 1.00 25.00 C ATOM 0 H VAL A 171 75.118 15.086 -2.129 1.00 25.00 H new ATOM 0 HA VAL A 171 72.766 16.550 -1.105 1.00 25.00 H new ATOM 0 HB VAL A 171 75.592 16.362 0.014 1.00 25.00 H new ATOM 0 HG11 VAL A 171 74.634 17.518 2.002 1.00 25.00 H new ATOM 0 HG12 VAL A 171 74.509 18.522 0.538 1.00 25.00 H new ATOM 0 HG13 VAL A 171 73.076 17.667 1.156 1.00 25.00 H new ATOM 0 HG21 VAL A 171 74.530 15.048 1.855 1.00 25.00 H new ATOM 0 HG22 VAL A 171 72.973 15.122 0.996 1.00 25.00 H new ATOM 0 HG23 VAL A 171 74.342 14.237 0.282 1.00 25.00 H new ATOM 1426 N VAL A 172 73.421 18.692 -2.130 1.00 25.00 N ATOM 1427 CA VAL A 172 73.688 19.964 -2.781 1.00 25.00 C ATOM 1428 C VAL A 172 73.707 21.015 -1.679 1.00 25.00 C ATOM 1429 O VAL A 172 72.924 20.941 -0.745 1.00 25.00 O ATOM 1430 CB VAL A 172 72.574 20.272 -3.813 1.00 25.00 C ATOM 1431 CG1 VAL A 172 72.934 21.482 -4.655 1.00 25.00 C ATOM 1432 CG2 VAL A 172 72.348 19.059 -4.728 1.00 25.00 C ATOM 0 H VAL A 172 72.457 18.592 -1.813 1.00 25.00 H new ATOM 0 HA VAL A 172 74.636 19.949 -3.319 1.00 25.00 H new ATOM 0 HB VAL A 172 71.657 20.488 -3.264 1.00 25.00 H new ATOM 0 HG11 VAL A 172 72.136 21.677 -5.371 1.00 25.00 H new ATOM 0 HG12 VAL A 172 73.062 22.350 -4.008 1.00 25.00 H new ATOM 0 HG13 VAL A 172 73.863 21.289 -5.191 1.00 25.00 H new ATOM 0 HG21 VAL A 172 71.563 19.288 -5.449 1.00 25.00 H new ATOM 0 HG22 VAL A 172 73.271 18.827 -5.259 1.00 25.00 H new ATOM 0 HG23 VAL A 172 72.049 18.200 -4.127 1.00 25.00 H new ATOM 1442 N ILE A 173 74.613 21.976 -1.763 1.00 25.00 N ATOM 1443 CA ILE A 173 74.750 23.014 -0.741 1.00 25.00 C ATOM 1444 C ILE A 173 74.324 24.343 -1.350 1.00 25.00 C ATOM 1445 O ILE A 173 74.759 24.712 -2.432 1.00 25.00 O ATOM 1446 CB ILE A 173 76.216 23.081 -0.224 1.00 25.00 C ATOM 1447 CG1 ILE A 173 76.563 21.781 0.530 1.00 25.00 C ATOM 1448 CG2 ILE A 173 76.434 24.327 0.677 1.00 25.00 C ATOM 1449 CD1 ILE A 173 78.064 21.594 0.818 1.00 25.00 C ATOM 0 H ILE A 173 75.273 22.063 -2.535 1.00 25.00 H new ATOM 0 HA ILE A 173 74.115 22.784 0.114 1.00 25.00 H new ATOM 0 HB ILE A 173 76.885 23.178 -1.079 1.00 25.00 H new ATOM 0 HG12 ILE A 173 76.020 21.767 1.475 1.00 25.00 H new ATOM 0 HG13 ILE A 173 76.209 20.931 -0.054 1.00 25.00 H new ATOM 0 HG21 ILE A 173 77.467 24.349 1.024 1.00 25.00 H new ATOM 0 HG22 ILE A 173 76.224 25.231 0.105 1.00 25.00 H new ATOM 0 HG23 ILE A 173 75.764 24.277 1.535 1.00 25.00 H new ATOM 0 HD11 ILE A 173 78.218 20.655 1.350 1.00 25.00 H new ATOM 0 HD12 ILE A 173 78.615 21.573 -0.122 1.00 25.00 H new ATOM 0 HD13 ILE A 173 78.423 22.421 1.430 1.00 25.00 H new ATOM 1461 N LEU A 174 73.452 25.055 -0.657 1.00 25.00 N ATOM 1462 CA LEU A 174 72.937 26.336 -1.112 1.00 25.00 C ATOM 1463 C LEU A 174 73.294 27.368 -0.052 1.00 25.00 C ATOM 1464 O LEU A 174 73.152 27.120 1.137 1.00 25.00 O ATOM 1465 CB LEU A 174 71.418 26.221 -1.300 1.00 25.00 C ATOM 1466 CG LEU A 174 70.735 27.158 -2.308 1.00 25.00 C ATOM 1467 CD1 LEU A 174 69.321 26.665 -2.548 1.00 25.00 C ATOM 1468 CD2 LEU A 174 70.693 28.601 -1.838 1.00 25.00 C ATOM 0 H LEU A 174 73.078 24.758 0.245 1.00 25.00 H new ATOM 0 HA LEU A 174 73.369 26.635 -2.067 1.00 25.00 H new ATOM 0 HB2 LEU A 174 71.197 25.196 -1.597 1.00 25.00 H new ATOM 0 HB3 LEU A 174 70.950 26.380 -0.329 1.00 25.00 H new ATOM 0 HG LEU A 174 71.321 27.140 -3.227 1.00 25.00 H new ATOM 0 HD11 LEU A 174 68.823 27.321 -3.262 1.00 25.00 H new ATOM 0 HD12 LEU A 174 69.352 25.651 -2.947 1.00 25.00 H new ATOM 0 HD13 LEU A 174 68.770 26.668 -1.607 1.00 25.00 H new ATOM 0 HD21 LEU A 174 70.199 29.215 -2.591 1.00 25.00 H new ATOM 0 HD22 LEU A 174 70.140 28.662 -0.901 1.00 25.00 H new ATOM 0 HD23 LEU A 174 71.709 28.963 -1.684 1.00 25.00 H new ATOM 1480 N ARG A 175 73.794 28.515 -0.474 1.00 25.00 N ATOM 1481 CA ARG A 175 74.163 29.582 0.456 1.00 25.00 C ATOM 1482 C ARG A 175 73.415 30.834 0.075 1.00 25.00 C ATOM 1483 O ARG A 175 73.456 31.260 -1.071 1.00 25.00 O ATOM 1484 CB ARG A 175 75.662 29.849 0.392 1.00 25.00 C ATOM 1485 CG ARG A 175 76.509 28.733 1.005 1.00 25.00 C ATOM 1486 CD ARG A 175 77.985 28.981 0.760 1.00 25.00 C ATOM 1487 NE ARG A 175 78.408 30.288 1.299 1.00 25.00 N ATOM 1488 CZ ARG A 175 79.599 30.843 1.112 1.00 25.00 C ATOM 1489 NH1 ARG A 175 80.547 30.254 0.424 1.00 25.00 N1+ ATOM 1490 NH2 ARG A 175 79.832 32.017 1.626 1.00 25.00 N ATOM 0 H ARG A 175 73.957 28.738 -1.456 1.00 25.00 H new ATOM 0 HA ARG A 175 73.906 29.280 1.472 1.00 25.00 H new ATOM 0 HB2 ARG A 175 75.954 29.985 -0.649 1.00 25.00 H new ATOM 0 HB3 ARG A 175 75.879 30.784 0.909 1.00 25.00 H new ATOM 0 HG2 ARG A 175 76.319 28.673 2.077 1.00 25.00 H new ATOM 0 HG3 ARG A 175 76.221 27.774 0.575 1.00 25.00 H new ATOM 0 HD2 ARG A 175 78.571 28.188 1.224 1.00 25.00 H new ATOM 0 HD3 ARG A 175 78.189 28.944 -0.310 1.00 25.00 H new ATOM 0 HE ARG A 175 77.731 30.806 1.860 1.00 25.00 H new ATOM 0 HH11 ARG A 175 80.382 29.336 0.010 1.00 25.00 H new ATOM 0 HH12 ARG A 175 81.450 30.713 0.303 1.00 25.00 H new ATOM 0 HH21 ARG A 175 79.105 32.493 2.161 1.00 25.00 H new ATOM 0 HH22 ARG A 175 80.741 32.460 1.494 1.00 25.00 H new ATOM 1504 N GLN A 176 72.741 31.420 1.052 1.00 25.00 N ATOM 1505 CA GLN A 176 72.028 32.682 0.856 1.00 25.00 C ATOM 1506 C GLN A 176 72.817 33.831 1.520 1.00 25.00 C ATOM 1507 O GLN A 176 73.971 34.092 1.250 1.00 25.00 O ATOM 1508 CB GLN A 176 70.541 32.516 1.284 1.00 25.00 C ATOM 1509 CG GLN A 176 69.666 33.642 0.712 1.00 25.00 C ATOM 1510 CD GLN A 176 69.023 34.424 1.817 1.00 25.00 C ATOM 1511 OE1 GLN A 176 69.528 35.375 2.350 1.00 25.00 O ATOM 1512 NE2 GLN A 176 67.854 33.984 2.253 1.00 25.00 N ATOM 1513 OXT GLN A 176 72.275 34.400 2.427 1.00 25.00 O ATOM 0 H GLN A 176 72.670 31.042 1.997 1.00 25.00 H new ATOM 0 HA GLN A 176 71.974 32.964 -0.195 1.00 25.00 H new ATOM 0 HB2 GLN A 176 70.167 31.552 0.940 1.00 25.00 H new ATOM 0 HB3 GLN A 176 70.471 32.515 2.372 1.00 25.00 H new ATOM 0 HG2 GLN A 176 70.274 34.305 0.096 1.00 25.00 H new ATOM 0 HG3 GLN A 176 68.898 33.220 0.064 1.00 25.00 H new ATOM 0 HE21 GLN A 176 67.415 33.178 1.809 1.00 25.00 H new ATOM 0 HE22 GLN A 176 67.392 34.451 3.033 1.00 25.00 H new