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 107 CYS SG : rot -150:sc= 0.204 USER MOD Set 1.2: A 138 SER OG : rot 167:sc= 0.223 USER MOD Set 2.1: A 128 HIS : no HE2:sc= 0.755 K(o=0.68,f=-4.7!) USER MOD Set 2.2: A 157 ASN : amide:sc= -0.0709 K(o=0.68,f=-0.53) USER MOD Set 3.1: A 104 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 118 SER OG : rot 180:sc= 0 USER MOD Single : A 100 HIS : no HE2:sc= 0.405 K(o=0.4,f=-2.1!) USER MOD Single : A 101 MET CE :methyl -160:sc= -0.126 (180deg=-0.466) USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 113 SER OG : rot 180:sc= -0.258 USER MOD Single : A 116 THR OG1 : rot 32:sc= 1.14 USER MOD Single : A 120 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 129 ASN : amide:sc= -0.169 X(o=-0.17,f=-0.1) USER MOD Single : A 134 CYS SG : rot -15:sc= -1.11 USER MOD Single : A 145 SER OG : rot -41:sc= 0.97 USER MOD Single : A 146 GLN : amide:sc=-0.000813 X(o=-0.00081,f=0) USER MOD Single : A 149 TYR OH : rot 62:sc= 0.517 USER MOD Single : A 155 THR OG1 : rot -92:sc= 0.144 USER MOD Single : A 158 HIS : no HD1:sc= 0 X(o=0,f=-0.0032) USER MOD Single : A 160 SER OG : rot -155:sc= 1.23 USER MOD Single : A 163 SER OG : rot -170:sc= 0 USER MOD Single : A 164 TYR OH : rot 30:sc= 0 USER MOD Single : A 167 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 176 GLN : amide:sc= -0.0791 K(o=-0.079,f=-1.1) USER MOD ----------------------------------------------------------------- ATOM 306 N HIS A 100 61.830 8.939 -11.217 1.00 25.00 N ATOM 307 CA HIS A 100 62.488 10.180 -10.829 1.00 25.00 C ATOM 308 C HIS A 100 63.546 9.779 -9.813 1.00 25.00 C ATOM 309 O HIS A 100 63.618 8.609 -9.433 1.00 25.00 O ATOM 310 CB HIS A 100 61.479 11.152 -10.202 1.00 25.00 C ATOM 311 CG HIS A 100 60.963 10.704 -8.870 1.00 25.00 C ATOM 312 ND1 HIS A 100 61.564 10.993 -7.669 1.00 25.00 N ATOM 313 CD2 HIS A 100 59.870 9.960 -8.545 1.00 25.00 C ATOM 314 CE1 HIS A 100 60.849 10.434 -6.701 1.00 25.00 C ATOM 315 NE2 HIS A 100 59.807 9.784 -7.177 1.00 25.00 N ATOM 0 HA HIS A 100 62.925 10.690 -11.687 1.00 25.00 H new ATOM 0 HB2 HIS A 100 61.950 12.129 -10.090 1.00 25.00 H new ATOM 0 HB3 HIS A 100 60.638 11.279 -10.884 1.00 25.00 H new ATOM 0 HD1 HIS A 100 62.414 11.543 -7.543 1.00 25.00 H new ATOM 0 HD2 HIS A 100 59.157 9.565 -9.253 1.00 25.00 H new ATOM 0 HE1 HIS A 100 61.092 10.504 -5.651 1.00 25.00 H new ATOM 323 N MET A 101 64.333 10.737 -9.355 1.00 25.00 N ATOM 324 CA MET A 101 65.343 10.500 -8.331 1.00 25.00 C ATOM 325 C MET A 101 65.113 11.498 -7.201 1.00 25.00 C ATOM 326 O MET A 101 64.258 12.389 -7.315 1.00 25.00 O ATOM 327 CB MET A 101 66.746 10.654 -8.925 1.00 25.00 C ATOM 328 CG MET A 101 67.051 12.048 -9.413 1.00 25.00 C ATOM 329 SD MET A 101 68.659 12.141 -10.159 1.00 25.00 S ATOM 330 CE MET A 101 68.765 13.885 -10.392 1.00 25.00 C ATOM 0 H MET A 101 64.292 11.703 -9.681 1.00 25.00 H new ATOM 0 HA MET A 101 65.263 9.484 -7.944 1.00 25.00 H new ATOM 0 HB2 MET A 101 67.482 10.374 -8.172 1.00 25.00 H new ATOM 0 HB3 MET A 101 66.858 9.956 -9.755 1.00 25.00 H new ATOM 0 HG2 MET A 101 66.295 12.355 -10.136 1.00 25.00 H new ATOM 0 HG3 MET A 101 66.995 12.747 -8.578 1.00 25.00 H new ATOM 0 HE1 MET A 101 69.518 14.106 -11.148 1.00 25.00 H new ATOM 0 HE2 MET A 101 67.798 14.268 -10.720 1.00 25.00 H new ATOM 0 HE3 MET A 101 69.044 14.361 -9.452 1.00 25.00 H new ATOM 340 N LEU A 102 65.849 11.337 -6.112 1.00 25.00 N ATOM 341 CA LEU A 102 65.719 12.202 -4.944 1.00 25.00 C ATOM 342 C LEU A 102 67.085 12.783 -4.596 1.00 25.00 C ATOM 343 O LEU A 102 68.066 12.046 -4.492 1.00 25.00 O ATOM 344 CB LEU A 102 65.183 11.388 -3.757 1.00 25.00 C ATOM 345 CG LEU A 102 64.790 12.194 -2.505 1.00 25.00 C ATOM 346 CD1 LEU A 102 63.417 12.842 -2.685 1.00 25.00 C ATOM 347 CD2 LEU A 102 64.765 11.278 -1.285 1.00 25.00 C ATOM 0 H LEU A 102 66.552 10.605 -6.011 1.00 25.00 H new ATOM 0 HA LEU A 102 65.024 13.013 -5.163 1.00 25.00 H new ATOM 0 HB2 LEU A 102 64.310 10.827 -4.092 1.00 25.00 H new ATOM 0 HB3 LEU A 102 65.941 10.658 -3.471 1.00 25.00 H new ATOM 0 HG LEU A 102 65.531 12.980 -2.358 1.00 25.00 H new ATOM 0 HD11 LEU A 102 63.160 13.406 -1.788 1.00 25.00 H new ATOM 0 HD12 LEU A 102 63.442 13.515 -3.542 1.00 25.00 H new ATOM 0 HD13 LEU A 102 62.668 12.068 -2.853 1.00 25.00 H new ATOM 0 HD21 LEU A 102 64.486 11.854 -0.403 1.00 25.00 H new ATOM 0 HD22 LEU A 102 64.038 10.482 -1.443 1.00 25.00 H new ATOM 0 HD23 LEU A 102 65.753 10.843 -1.137 1.00 25.00 H new ATOM 359 N LEU A 103 67.141 14.091 -4.410 1.00 25.00 N ATOM 360 CA LEU A 103 68.375 14.778 -4.025 1.00 25.00 C ATOM 361 C LEU A 103 68.134 15.453 -2.696 1.00 25.00 C ATOM 362 O LEU A 103 66.995 15.738 -2.345 1.00 25.00 O ATOM 363 CB LEU A 103 68.757 15.846 -5.057 1.00 25.00 C ATOM 364 CG LEU A 103 69.178 15.355 -6.448 1.00 25.00 C ATOM 365 CD1 LEU A 103 69.456 16.561 -7.332 1.00 25.00 C ATOM 366 CD2 LEU A 103 70.418 14.496 -6.377 1.00 25.00 C ATOM 0 H LEU A 103 66.338 14.710 -4.520 1.00 25.00 H new ATOM 0 HA LEU A 103 69.186 14.052 -3.965 1.00 25.00 H new ATOM 0 HB2 LEU A 103 67.908 16.518 -5.178 1.00 25.00 H new ATOM 0 HB3 LEU A 103 69.575 16.437 -4.645 1.00 25.00 H new ATOM 0 HG LEU A 103 68.369 14.752 -6.861 1.00 25.00 H new ATOM 0 HD11 LEU A 103 69.756 16.224 -8.324 1.00 25.00 H new ATOM 0 HD12 LEU A 103 68.555 17.168 -7.413 1.00 25.00 H new ATOM 0 HD13 LEU A 103 70.257 17.157 -6.894 1.00 25.00 H new ATOM 0 HD21 LEU A 103 70.689 14.165 -7.379 1.00 25.00 H new ATOM 0 HD22 LEU A 103 71.238 15.075 -5.952 1.00 25.00 H new ATOM 0 HD23 LEU A 103 70.223 13.627 -5.748 1.00 25.00 H new ATOM 378 N THR A 104 69.203 15.750 -1.978 1.00 25.00 N ATOM 379 CA THR A 104 69.102 16.464 -0.710 1.00 25.00 C ATOM 380 C THR A 104 69.696 17.850 -0.912 1.00 25.00 C ATOM 381 O THR A 104 70.661 18.019 -1.647 1.00 25.00 O ATOM 382 CB THR A 104 69.843 15.708 0.405 1.00 25.00 C ATOM 383 OG1 THR A 104 69.407 14.345 0.411 1.00 25.00 O ATOM 384 CG2 THR A 104 69.557 16.297 1.781 1.00 25.00 C ATOM 0 H THR A 104 70.156 15.508 -2.250 1.00 25.00 H new ATOM 0 HA THR A 104 68.059 16.542 -0.403 1.00 25.00 H new ATOM 0 HB THR A 104 70.911 15.789 0.205 1.00 25.00 H new ATOM 0 HG1 THR A 104 69.876 13.855 1.118 1.00 25.00 H new ATOM 0 HG21 THR A 104 70.101 15.732 2.539 1.00 25.00 H new ATOM 0 HG22 THR A 104 69.878 17.338 1.805 1.00 25.00 H new ATOM 0 HG23 THR A 104 68.488 16.242 1.985 1.00 25.00 H new ATOM 392 N VAL A 105 69.099 18.846 -0.289 1.00 25.00 N ATOM 393 CA VAL A 105 69.534 20.227 -0.418 1.00 25.00 C ATOM 394 C VAL A 105 69.815 20.753 0.976 1.00 25.00 C ATOM 395 O VAL A 105 68.998 20.583 1.876 1.00 25.00 O ATOM 396 CB VAL A 105 68.417 21.086 -1.050 1.00 25.00 C ATOM 397 CG1 VAL A 105 68.864 22.548 -1.208 1.00 25.00 C ATOM 398 CG2 VAL A 105 67.969 20.513 -2.408 1.00 25.00 C ATOM 0 H VAL A 105 68.294 18.722 0.325 1.00 25.00 H new ATOM 0 HA VAL A 105 70.420 20.277 -1.052 1.00 25.00 H new ATOM 0 HB VAL A 105 67.564 21.059 -0.372 1.00 25.00 H new ATOM 0 HG11 VAL A 105 68.057 23.129 -1.655 1.00 25.00 H new ATOM 0 HG12 VAL A 105 69.109 22.961 -0.230 1.00 25.00 H new ATOM 0 HG13 VAL A 105 69.743 22.592 -1.851 1.00 25.00 H new ATOM 0 HG21 VAL A 105 67.182 21.141 -2.826 1.00 25.00 H new ATOM 0 HG22 VAL A 105 68.818 20.492 -3.092 1.00 25.00 H new ATOM 0 HG23 VAL A 105 67.590 19.501 -2.268 1.00 25.00 H new ATOM 408 N TYR A 106 70.957 21.398 1.153 1.00 25.00 N ATOM 409 CA TYR A 106 71.315 22.009 2.426 1.00 25.00 C ATOM 410 C TYR A 106 71.498 23.511 2.200 1.00 25.00 C ATOM 411 O TYR A 106 72.420 23.939 1.508 1.00 25.00 O ATOM 412 CB TYR A 106 72.597 21.366 2.964 1.00 25.00 C ATOM 413 CG TYR A 106 72.771 21.520 4.458 1.00 25.00 C ATOM 414 CD1 TYR A 106 72.979 22.785 5.042 1.00 25.00 C ATOM 415 CD2 TYR A 106 72.722 20.392 5.305 1.00 25.00 C ATOM 416 CE1 TYR A 106 73.140 22.922 6.448 1.00 25.00 C ATOM 417 CE2 TYR A 106 72.877 20.527 6.710 1.00 25.00 C ATOM 418 CZ TYR A 106 73.081 21.791 7.267 1.00 25.00 C ATOM 419 OH TYR A 106 73.225 21.912 8.625 1.00 25.00 O ATOM 0 H TYR A 106 71.660 21.513 0.423 1.00 25.00 H new ATOM 0 HA TYR A 106 70.530 21.852 3.166 1.00 25.00 H new ATOM 0 HB2 TYR A 106 72.594 20.305 2.715 1.00 25.00 H new ATOM 0 HB3 TYR A 106 73.455 21.809 2.459 1.00 25.00 H new ATOM 0 HD1 TYR A 106 73.017 23.662 4.413 1.00 25.00 H new ATOM 0 HD2 TYR A 106 72.564 19.412 4.878 1.00 25.00 H new ATOM 0 HE1 TYR A 106 73.307 23.897 6.882 1.00 25.00 H new ATOM 0 HE2 TYR A 106 72.837 19.655 7.346 1.00 25.00 H new ATOM 0 HH TYR A 106 73.156 21.027 9.041 1.00 25.00 H new ATOM 429 N CYS A 107 70.599 24.307 2.750 1.00 25.00 N ATOM 430 CA CYS A 107 70.640 25.755 2.583 1.00 25.00 C ATOM 431 C CYS A 107 71.316 26.355 3.804 1.00 25.00 C ATOM 432 O CYS A 107 70.883 26.122 4.921 1.00 25.00 O ATOM 433 CB CYS A 107 69.222 26.306 2.460 1.00 25.00 C ATOM 434 SG CYS A 107 69.177 28.100 2.293 1.00 25.00 S ATOM 0 H CYS A 107 69.823 23.974 3.322 1.00 25.00 H new ATOM 0 HA CYS A 107 71.193 26.011 1.679 1.00 25.00 H new ATOM 0 HB2 CYS A 107 68.736 25.854 1.596 1.00 25.00 H new ATOM 0 HB3 CYS A 107 68.647 26.014 3.338 1.00 25.00 H new ATOM 0 HG CYS A 107 68.074 28.556 2.809 1.00 25.00 H new ATOM 440 N VAL A 108 72.390 27.098 3.589 1.00 25.00 N ATOM 441 CA VAL A 108 73.183 27.659 4.680 1.00 25.00 C ATOM 442 C VAL A 108 73.037 29.172 4.759 1.00 25.00 C ATOM 443 O VAL A 108 73.342 29.900 3.801 1.00 25.00 O ATOM 444 CB VAL A 108 74.693 27.310 4.505 1.00 25.00 C ATOM 445 CG1 VAL A 108 75.519 27.830 5.701 1.00 25.00 C ATOM 446 CG2 VAL A 108 74.879 25.795 4.378 1.00 25.00 C ATOM 0 H VAL A 108 72.738 27.331 2.659 1.00 25.00 H new ATOM 0 HA VAL A 108 72.806 27.217 5.603 1.00 25.00 H new ATOM 0 HB VAL A 108 75.046 27.795 3.595 1.00 25.00 H new ATOM 0 HG11 VAL A 108 76.569 27.575 5.557 1.00 25.00 H new ATOM 0 HG12 VAL A 108 75.415 28.913 5.772 1.00 25.00 H new ATOM 0 HG13 VAL A 108 75.157 27.370 6.621 1.00 25.00 H new ATOM 0 HG21 VAL A 108 75.938 25.567 4.256 1.00 25.00 H new ATOM 0 HG22 VAL A 108 74.503 25.306 5.277 1.00 25.00 H new ATOM 0 HG23 VAL A 108 74.328 25.432 3.510 1.00 25.00 H new ATOM 456 N ARG A 109 72.635 29.645 5.929 1.00 25.00 N ATOM 457 CA ARG A 109 72.591 31.075 6.223 1.00 25.00 C ATOM 458 C ARG A 109 73.766 31.347 7.139 1.00 25.00 C ATOM 459 O ARG A 109 74.128 30.508 7.942 1.00 25.00 O ATOM 460 CB ARG A 109 71.293 31.436 6.941 1.00 25.00 C ATOM 461 CG ARG A 109 70.061 31.497 6.040 1.00 25.00 C ATOM 462 CD ARG A 109 69.540 32.932 5.969 1.00 25.00 C ATOM 463 NE ARG A 109 68.155 33.010 5.473 1.00 25.00 N ATOM 464 CZ ARG A 109 67.478 34.137 5.277 1.00 25.00 C ATOM 465 NH1 ARG A 109 68.008 35.319 5.488 1.00 25.00 N1+ ATOM 466 NH2 ARG A 109 66.242 34.080 4.874 1.00 25.00 N ATOM 0 H ARG A 109 72.330 29.053 6.701 1.00 25.00 H new ATOM 0 HA ARG A 109 72.637 31.665 5.308 1.00 25.00 H new ATOM 0 HB2 ARG A 109 71.114 30.705 7.729 1.00 25.00 H new ATOM 0 HB3 ARG A 109 71.419 32.404 7.427 1.00 25.00 H new ATOM 0 HG2 ARG A 109 70.313 31.142 5.041 1.00 25.00 H new ATOM 0 HG3 ARG A 109 69.284 30.837 6.426 1.00 25.00 H new ATOM 0 HD2 ARG A 109 69.593 33.383 6.960 1.00 25.00 H new ATOM 0 HD3 ARG A 109 70.188 33.518 5.318 1.00 25.00 H new ATOM 0 HE ARG A 109 67.679 32.132 5.264 1.00 25.00 H new ATOM 0 HH11 ARG A 109 68.972 35.395 5.814 1.00 25.00 H new ATOM 0 HH12 ARG A 109 67.456 36.162 5.326 1.00 25.00 H new ATOM 0 HH21 ARG A 109 65.800 33.175 4.711 1.00 25.00 H new ATOM 0 HH22 ARG A 109 65.715 34.940 4.721 1.00 25.00 H new ATOM 480 N ARG A 110 74.359 32.527 7.036 1.00 25.00 N ATOM 481 CA ARG A 110 75.492 32.877 7.901 1.00 25.00 C ATOM 482 C ARG A 110 75.027 33.094 9.344 1.00 25.00 C ATOM 483 O ARG A 110 75.822 33.055 10.269 1.00 25.00 O ATOM 484 CB ARG A 110 76.191 34.139 7.382 1.00 25.00 C ATOM 485 CG ARG A 110 77.612 34.308 7.924 1.00 25.00 C ATOM 486 CD ARG A 110 78.176 35.686 7.612 1.00 25.00 C ATOM 487 NE ARG A 110 79.567 35.814 8.088 1.00 25.00 N ATOM 488 CZ ARG A 110 79.931 36.092 9.338 1.00 25.00 C ATOM 489 NH1 ARG A 110 79.064 36.276 10.305 1.00 25.00 N1+ ATOM 490 NH2 ARG A 110 81.202 36.180 9.621 1.00 25.00 N ATOM 0 H ARG A 110 74.085 33.254 6.375 1.00 25.00 H new ATOM 0 HA ARG A 110 76.199 32.048 7.885 1.00 25.00 H new ATOM 0 HB2 ARG A 110 76.226 34.105 6.293 1.00 25.00 H new ATOM 0 HB3 ARG A 110 75.599 35.013 7.655 1.00 25.00 H new ATOM 0 HG2 ARG A 110 77.610 34.152 9.003 1.00 25.00 H new ATOM 0 HG3 ARG A 110 78.259 33.544 7.492 1.00 25.00 H new ATOM 0 HD2 ARG A 110 78.139 35.862 6.537 1.00 25.00 H new ATOM 0 HD3 ARG A 110 77.556 36.450 8.081 1.00 25.00 H new ATOM 0 HE ARG A 110 80.311 35.678 7.403 1.00 25.00 H new ATOM 0 HH11 ARG A 110 78.064 36.208 10.114 1.00 25.00 H new ATOM 0 HH12 ARG A 110 79.389 36.487 11.248 1.00 25.00 H new ATOM 0 HH21 ARG A 110 81.898 36.037 8.890 1.00 25.00 H new ATOM 0 HH22 ARG A 110 81.499 36.392 10.573 1.00 25.00 H new ATOM 504 N ASP A 111 73.737 33.336 9.505 1.00 25.00 N ATOM 505 CA ASP A 111 73.143 33.639 10.809 1.00 25.00 C ATOM 506 C ASP A 111 72.624 32.374 11.519 1.00 25.00 C ATOM 507 O ASP A 111 71.679 32.431 12.292 1.00 25.00 O ATOM 508 CB ASP A 111 72.005 34.647 10.597 1.00 25.00 C ATOM 509 CG ASP A 111 71.700 35.461 11.842 1.00 25.00 C ATOM 510 OD1 ASP A 111 72.645 35.771 12.601 1.00 25.00 O ATOM 511 OD2 ASP A 111 70.544 35.911 11.980 1.00 25.00 O1- ATOM 0 H ASP A 111 73.065 33.329 8.737 1.00 25.00 H new ATOM 0 HA ASP A 111 73.911 34.063 11.457 1.00 25.00 H new ATOM 0 HB2 ASP A 111 72.271 35.322 9.783 1.00 25.00 H new ATOM 0 HB3 ASP A 111 71.106 34.113 10.288 1.00 25.00 H new ATOM 516 N LEU A 112 73.242 31.234 11.204 1.00 25.00 N ATOM 517 CA LEU A 112 72.909 29.920 11.802 1.00 25.00 C ATOM 518 C LEU A 112 71.429 29.551 11.649 1.00 25.00 C ATOM 519 O LEU A 112 70.814 28.940 12.514 1.00 25.00 O ATOM 520 CB LEU A 112 73.348 29.853 13.272 1.00 25.00 C ATOM 521 CG LEU A 112 74.855 30.055 13.518 1.00 25.00 C ATOM 522 CD1 LEU A 112 75.131 30.043 15.021 1.00 25.00 C ATOM 523 CD2 LEU A 112 75.700 28.964 12.833 1.00 25.00 C ATOM 0 H LEU A 112 73.997 31.186 10.520 1.00 25.00 H new ATOM 0 HA LEU A 112 73.472 29.174 11.240 1.00 25.00 H new ATOM 0 HB2 LEU A 112 72.800 30.610 13.833 1.00 25.00 H new ATOM 0 HB3 LEU A 112 73.057 28.884 13.677 1.00 25.00 H new ATOM 0 HG LEU A 112 75.138 31.016 13.088 1.00 25.00 H new ATOM 0 HD11 LEU A 112 76.197 30.186 15.196 1.00 25.00 H new ATOM 0 HD12 LEU A 112 74.573 30.848 15.500 1.00 25.00 H new ATOM 0 HD13 LEU A 112 74.819 29.086 15.441 1.00 25.00 H new ATOM 0 HD21 LEU A 112 76.757 29.144 13.032 1.00 25.00 H new ATOM 0 HD22 LEU A 112 75.418 27.986 13.224 1.00 25.00 H new ATOM 0 HD23 LEU A 112 75.524 28.989 11.758 1.00 25.00 H new ATOM 535 N SER A 113 70.875 29.963 10.522 1.00 25.00 N ATOM 536 CA SER A 113 69.464 29.769 10.187 1.00 25.00 C ATOM 537 C SER A 113 69.286 28.681 9.133 1.00 25.00 C ATOM 538 O SER A 113 68.383 28.743 8.299 1.00 25.00 O ATOM 539 CB SER A 113 68.880 31.076 9.684 1.00 25.00 C ATOM 540 OG SER A 113 69.770 32.144 9.952 1.00 25.00 O ATOM 0 H SER A 113 71.399 30.452 9.796 1.00 25.00 H new ATOM 0 HA SER A 113 68.939 29.451 11.088 1.00 25.00 H new ATOM 0 HB2 SER A 113 68.692 31.010 8.612 1.00 25.00 H new ATOM 0 HB3 SER A 113 67.920 31.263 10.166 1.00 25.00 H new ATOM 0 HG SER A 113 69.384 32.982 9.622 1.00 25.00 H new ATOM 546 N GLU A 114 70.236 27.767 9.078 1.00 25.00 N ATOM 547 CA GLU A 114 70.284 26.783 8.000 1.00 25.00 C ATOM 548 C GLU A 114 69.189 25.726 8.121 1.00 25.00 C ATOM 549 O GLU A 114 68.667 25.451 9.199 1.00 25.00 O ATOM 550 CB GLU A 114 71.642 26.059 7.977 1.00 25.00 C ATOM 551 CG GLU A 114 72.089 25.430 9.310 1.00 25.00 C ATOM 552 CD GLU A 114 72.987 26.348 10.126 1.00 25.00 C ATOM 553 OE1 GLU A 114 73.162 27.519 9.721 1.00 25.00 O1- ATOM 554 OE2 GLU A 114 73.565 25.889 11.130 1.00 25.00 O1- ATOM 0 H GLU A 114 70.986 27.681 9.764 1.00 25.00 H new ATOM 0 HA GLU A 114 70.132 27.345 7.078 1.00 25.00 H new ATOM 0 HB2 GLU A 114 71.601 25.274 7.222 1.00 25.00 H new ATOM 0 HB3 GLU A 114 72.405 26.769 7.658 1.00 25.00 H new ATOM 0 HG2 GLU A 114 71.208 25.174 9.899 1.00 25.00 H new ATOM 0 HG3 GLU A 114 72.618 24.499 9.107 1.00 25.00 H new ATOM 561 N VAL A 115 68.834 25.162 6.977 1.00 25.00 N ATOM 562 CA VAL A 115 67.760 24.181 6.878 1.00 25.00 C ATOM 563 C VAL A 115 68.177 23.192 5.800 1.00 25.00 C ATOM 564 O VAL A 115 68.931 23.541 4.889 1.00 25.00 O ATOM 565 CB VAL A 115 66.387 24.883 6.527 1.00 25.00 C ATOM 566 CG1 VAL A 115 66.429 25.559 5.140 1.00 25.00 C ATOM 567 CG2 VAL A 115 65.208 23.896 6.602 1.00 25.00 C ATOM 0 H VAL A 115 69.284 25.372 6.086 1.00 25.00 H new ATOM 0 HA VAL A 115 67.603 23.668 7.827 1.00 25.00 H new ATOM 0 HB VAL A 115 66.232 25.657 7.278 1.00 25.00 H new ATOM 0 HG11 VAL A 115 65.467 26.030 4.936 1.00 25.00 H new ATOM 0 HG12 VAL A 115 67.214 26.316 5.128 1.00 25.00 H new ATOM 0 HG13 VAL A 115 66.636 24.809 4.376 1.00 25.00 H new ATOM 0 HG21 VAL A 115 64.282 24.415 6.354 1.00 25.00 H new ATOM 0 HG22 VAL A 115 65.368 23.083 5.894 1.00 25.00 H new ATOM 0 HG23 VAL A 115 65.137 23.490 7.611 1.00 25.00 H new ATOM 577 N THR A 116 67.705 21.960 5.889 1.00 25.00 N ATOM 578 CA THR A 116 67.989 20.968 4.869 1.00 25.00 C ATOM 579 C THR A 116 66.693 20.227 4.591 1.00 25.00 C ATOM 580 O THR A 116 65.842 20.103 5.474 1.00 25.00 O ATOM 581 CB THR A 116 69.148 20.015 5.289 1.00 25.00 C ATOM 582 OG1 THR A 116 69.472 19.138 4.207 1.00 25.00 O ATOM 583 CG2 THR A 116 68.792 19.173 6.506 1.00 25.00 C ATOM 0 H THR A 116 67.124 21.624 6.657 1.00 25.00 H new ATOM 0 HA THR A 116 68.342 21.449 3.957 1.00 25.00 H new ATOM 0 HB THR A 116 70.000 20.644 5.546 1.00 25.00 H new ATOM 0 HG1 THR A 116 69.321 19.599 3.356 1.00 25.00 H new ATOM 0 HG21 THR A 116 69.632 18.526 6.759 1.00 25.00 H new ATOM 0 HG22 THR A 116 68.571 19.827 7.349 1.00 25.00 H new ATOM 0 HG23 THR A 116 67.917 18.562 6.282 1.00 25.00 H new ATOM 591 N PHE A 117 66.513 19.818 3.347 1.00 25.00 N ATOM 592 CA PHE A 117 65.286 19.170 2.899 1.00 25.00 C ATOM 593 C PHE A 117 65.651 18.349 1.675 1.00 25.00 C ATOM 594 O PHE A 117 66.780 18.435 1.200 1.00 25.00 O ATOM 595 CB PHE A 117 64.209 20.218 2.568 1.00 25.00 C ATOM 596 CG PHE A 117 64.667 21.290 1.612 1.00 25.00 C ATOM 597 CD1 PHE A 117 64.529 21.116 0.222 1.00 25.00 C ATOM 598 CD2 PHE A 117 65.213 22.495 2.101 1.00 25.00 C ATOM 599 CE1 PHE A 117 64.932 22.135 -0.679 1.00 25.00 C ATOM 600 CE2 PHE A 117 65.620 23.520 1.210 1.00 25.00 C ATOM 601 CZ PHE A 117 65.475 23.340 -0.181 1.00 25.00 C ATOM 0 H PHE A 117 67.214 19.925 2.614 1.00 25.00 H new ATOM 0 HA PHE A 117 64.869 18.532 3.678 1.00 25.00 H new ATOM 0 HB2 PHE A 117 63.343 19.711 2.141 1.00 25.00 H new ATOM 0 HB3 PHE A 117 63.879 20.689 3.494 1.00 25.00 H new ATOM 0 HD1 PHE A 117 64.112 20.197 -0.163 1.00 25.00 H new ATOM 0 HD2 PHE A 117 65.322 22.638 3.166 1.00 25.00 H new ATOM 0 HE1 PHE A 117 64.824 21.990 -1.744 1.00 25.00 H new ATOM 0 HE2 PHE A 117 66.040 24.437 1.596 1.00 25.00 H new ATOM 0 HZ PHE A 117 65.778 24.121 -0.863 1.00 25.00 H new ATOM 611 N SER A 118 64.721 17.563 1.161 1.00 25.00 N ATOM 612 CA SER A 118 64.976 16.747 -0.022 1.00 25.00 C ATOM 613 C SER A 118 63.995 17.117 -1.119 1.00 25.00 C ATOM 614 O SER A 118 62.882 17.546 -0.837 1.00 25.00 O ATOM 615 CB SER A 118 64.852 15.263 0.317 1.00 25.00 C ATOM 616 OG SER A 118 65.785 14.897 1.320 1.00 25.00 O ATOM 0 H SER A 118 63.780 17.470 1.542 1.00 25.00 H new ATOM 0 HA SER A 118 65.991 16.937 -0.370 1.00 25.00 H new ATOM 0 HB2 SER A 118 63.840 15.047 0.659 1.00 25.00 H new ATOM 0 HB3 SER A 118 65.021 14.665 -0.579 1.00 25.00 H new ATOM 0 HG SER A 118 65.688 13.943 1.524 1.00 25.00 H new ATOM 622 N LEU A 119 64.417 16.951 -2.363 1.00 25.00 N ATOM 623 CA LEU A 119 63.594 17.281 -3.523 1.00 25.00 C ATOM 624 C LEU A 119 63.558 16.110 -4.477 1.00 25.00 C ATOM 625 O LEU A 119 64.567 15.437 -4.690 1.00 25.00 O ATOM 626 CB LEU A 119 64.171 18.491 -4.263 1.00 25.00 C ATOM 627 CG LEU A 119 63.639 19.870 -3.851 1.00 25.00 C ATOM 628 CD1 LEU A 119 64.424 20.937 -4.597 1.00 25.00 C ATOM 629 CD2 LEU A 119 62.145 20.005 -4.174 1.00 25.00 C ATOM 0 H LEU A 119 65.339 16.584 -2.600 1.00 25.00 H new ATOM 0 HA LEU A 119 62.588 17.512 -3.172 1.00 25.00 H new ATOM 0 HB2 LEU A 119 65.252 18.489 -4.127 1.00 25.00 H new ATOM 0 HB3 LEU A 119 63.984 18.359 -5.329 1.00 25.00 H new ATOM 0 HG LEU A 119 63.762 19.991 -2.775 1.00 25.00 H new ATOM 0 HD11 LEU A 119 64.057 21.923 -4.314 1.00 25.00 H new ATOM 0 HD12 LEU A 119 65.481 20.856 -4.342 1.00 25.00 H new ATOM 0 HD13 LEU A 119 64.298 20.797 -5.671 1.00 25.00 H new ATOM 0 HD21 LEU A 119 61.795 20.992 -3.871 1.00 25.00 H new ATOM 0 HD22 LEU A 119 61.992 19.878 -5.246 1.00 25.00 H new ATOM 0 HD23 LEU A 119 61.586 19.241 -3.635 1.00 25.00 H new ATOM 641 N GLN A 120 62.398 15.895 -5.076 1.00 25.00 N ATOM 642 CA GLN A 120 62.219 14.841 -6.070 1.00 25.00 C ATOM 643 C GLN A 120 62.272 15.506 -7.438 1.00 25.00 C ATOM 644 O GLN A 120 61.601 16.509 -7.670 1.00 25.00 O ATOM 645 CB GLN A 120 60.894 14.090 -5.852 1.00 25.00 C ATOM 646 CG GLN A 120 59.640 14.973 -5.746 1.00 25.00 C ATOM 647 CD GLN A 120 58.386 14.158 -5.519 1.00 25.00 C ATOM 648 OE1 GLN A 120 58.068 13.268 -6.282 1.00 25.00 O ATOM 649 NE2 GLN A 120 57.677 14.456 -4.462 1.00 25.00 N ATOM 0 H GLN A 120 61.556 16.441 -4.891 1.00 25.00 H new ATOM 0 HA GLN A 120 63.006 14.091 -5.985 1.00 25.00 H new ATOM 0 HB2 GLN A 120 60.755 13.389 -6.675 1.00 25.00 H new ATOM 0 HB3 GLN A 120 60.978 13.498 -4.940 1.00 25.00 H new ATOM 0 HG2 GLN A 120 59.764 15.681 -4.927 1.00 25.00 H new ATOM 0 HG3 GLN A 120 59.531 15.558 -6.659 1.00 25.00 H new ATOM 0 HE21 GLN A 120 57.976 15.210 -3.844 1.00 25.00 H new ATOM 0 HE22 GLN A 120 56.825 13.934 -4.255 1.00 25.00 H new ATOM 658 N VAL A 121 63.131 14.993 -8.304 1.00 25.00 N ATOM 659 CA VAL A 121 63.370 15.597 -9.617 1.00 25.00 C ATOM 660 C VAL A 121 63.758 14.510 -10.603 1.00 25.00 C ATOM 661 O VAL A 121 64.171 13.427 -10.204 1.00 25.00 O ATOM 662 CB VAL A 121 64.534 16.644 -9.563 1.00 25.00 C ATOM 663 CG1 VAL A 121 64.035 17.985 -9.036 1.00 25.00 C ATOM 664 CG2 VAL A 121 65.697 16.134 -8.676 1.00 25.00 C ATOM 0 H VAL A 121 63.681 14.153 -8.125 1.00 25.00 H new ATOM 0 HA VAL A 121 62.454 16.101 -9.925 1.00 25.00 H new ATOM 0 HB VAL A 121 64.902 16.780 -10.580 1.00 25.00 H new ATOM 0 HG11 VAL A 121 64.861 18.695 -9.008 1.00 25.00 H new ATOM 0 HG12 VAL A 121 63.252 18.365 -9.692 1.00 25.00 H new ATOM 0 HG13 VAL A 121 63.634 17.855 -8.031 1.00 25.00 H new ATOM 0 HG21 VAL A 121 66.492 16.879 -8.655 1.00 25.00 H new ATOM 0 HG22 VAL A 121 65.334 15.962 -7.663 1.00 25.00 H new ATOM 0 HG23 VAL A 121 66.085 15.201 -9.085 1.00 25.00 H new ATOM 674 N ASP A 122 63.637 14.796 -11.885 1.00 25.00 N ATOM 675 CA ASP A 122 64.047 13.854 -12.922 1.00 25.00 C ATOM 676 C ASP A 122 65.566 13.882 -13.055 1.00 25.00 C ATOM 677 O ASP A 122 66.216 14.842 -12.657 1.00 25.00 O ATOM 678 CB ASP A 122 63.416 14.243 -14.258 1.00 25.00 C ATOM 679 CG ASP A 122 61.918 14.067 -14.256 1.00 25.00 C ATOM 680 OD1 ASP A 122 61.455 12.943 -13.972 1.00 25.00 O1- ATOM 681 OD2 ASP A 122 61.201 15.055 -14.508 1.00 25.00 O1- ATOM 0 H ASP A 122 63.258 15.674 -12.239 1.00 25.00 H new ATOM 0 HA ASP A 122 63.717 12.852 -12.648 1.00 25.00 H new ATOM 0 HB2 ASP A 122 63.657 15.282 -14.482 1.00 25.00 H new ATOM 0 HB3 ASP A 122 63.850 13.636 -15.053 1.00 25.00 H new ATOM 686 N ALA A 123 66.142 12.851 -13.654 1.00 25.00 N ATOM 687 CA ALA A 123 67.586 12.832 -13.877 1.00 25.00 C ATOM 688 C ALA A 123 67.979 13.937 -14.870 1.00 25.00 C ATOM 689 O ALA A 123 69.034 14.561 -14.753 1.00 25.00 O ATOM 690 CB ALA A 123 68.014 11.457 -14.405 1.00 25.00 C ATOM 0 H ALA A 123 65.644 12.027 -13.991 1.00 25.00 H new ATOM 0 HA ALA A 123 68.097 13.017 -12.932 1.00 25.00 H new ATOM 0 HB1 ALA A 123 69.092 11.450 -14.569 1.00 25.00 H new ATOM 0 HB2 ALA A 123 67.753 10.690 -13.676 1.00 25.00 H new ATOM 0 HB3 ALA A 123 67.502 11.253 -15.346 1.00 25.00 H new ATOM 696 N ASP A 124 67.117 14.161 -15.851 1.00 25.00 N ATOM 697 CA ASP A 124 67.385 15.123 -16.921 1.00 25.00 C ATOM 698 C ASP A 124 66.791 16.499 -16.605 1.00 25.00 C ATOM 699 O ASP A 124 66.634 17.344 -17.474 1.00 25.00 O ATOM 700 CB ASP A 124 66.814 14.590 -18.240 1.00 25.00 C ATOM 701 CG ASP A 124 67.615 15.045 -19.456 1.00 25.00 C ATOM 702 OD1 ASP A 124 68.770 15.504 -19.285 1.00 25.00 O ATOM 703 OD2 ASP A 124 67.138 14.821 -20.586 1.00 25.00 O1- ATOM 0 H ASP A 124 66.217 13.687 -15.932 1.00 25.00 H new ATOM 0 HA ASP A 124 68.465 15.245 -17.009 1.00 25.00 H new ATOM 0 HB2 ASP A 124 66.796 13.501 -18.209 1.00 25.00 H new ATOM 0 HB3 ASP A 124 65.782 14.923 -18.345 1.00 25.00 H new ATOM 708 N PHE A 125 66.438 16.704 -15.345 1.00 25.00 N ATOM 709 CA PHE A 125 65.847 17.965 -14.905 1.00 25.00 C ATOM 710 C PHE A 125 66.912 19.059 -14.977 1.00 25.00 C ATOM 711 O PHE A 125 68.042 18.865 -14.518 1.00 25.00 O ATOM 712 CB PHE A 125 65.356 17.793 -13.470 1.00 25.00 C ATOM 713 CG PHE A 125 64.250 18.718 -13.070 1.00 25.00 C ATOM 714 CD1 PHE A 125 62.947 18.520 -13.564 1.00 25.00 C ATOM 715 CD2 PHE A 125 64.481 19.750 -12.145 1.00 25.00 C ATOM 716 CE1 PHE A 125 61.881 19.346 -13.141 1.00 25.00 C ATOM 717 CE2 PHE A 125 63.419 20.574 -11.705 1.00 25.00 C ATOM 718 CZ PHE A 125 62.117 20.372 -12.206 1.00 25.00 C ATOM 0 H PHE A 125 66.550 16.012 -14.604 1.00 25.00 H new ATOM 0 HA PHE A 125 65.008 18.245 -15.542 1.00 25.00 H new ATOM 0 HB2 PHE A 125 65.017 16.766 -13.338 1.00 25.00 H new ATOM 0 HB3 PHE A 125 66.197 17.941 -12.793 1.00 25.00 H new ATOM 0 HD1 PHE A 125 62.760 17.728 -14.274 1.00 25.00 H new ATOM 0 HD2 PHE A 125 65.479 19.916 -11.766 1.00 25.00 H new ATOM 0 HE1 PHE A 125 60.887 19.191 -13.534 1.00 25.00 H new ATOM 0 HE2 PHE A 125 63.606 21.358 -10.986 1.00 25.00 H new ATOM 0 HZ PHE A 125 61.304 21.001 -11.874 1.00 25.00 H new ATOM 728 N GLU A 126 66.563 20.191 -15.567 1.00 25.00 N ATOM 729 CA GLU A 126 67.506 21.299 -15.730 1.00 25.00 C ATOM 730 C GLU A 126 67.875 21.910 -14.390 1.00 25.00 C ATOM 731 O GLU A 126 67.030 22.030 -13.498 1.00 25.00 O ATOM 732 CB GLU A 126 66.881 22.417 -16.561 1.00 25.00 C ATOM 733 CG GLU A 126 66.585 22.064 -18.006 1.00 25.00 C ATOM 734 CD GLU A 126 65.973 23.247 -18.749 1.00 25.00 C ATOM 735 OE1 GLU A 126 65.664 24.265 -18.083 1.00 25.00 O ATOM 736 OE2 GLU A 126 65.774 23.157 -19.976 1.00 25.00 O1- ATOM 0 H GLU A 126 65.633 20.372 -15.944 1.00 25.00 H new ATOM 0 HA GLU A 126 68.389 20.887 -16.220 1.00 25.00 H new ATOM 0 HB2 GLU A 126 65.952 22.727 -16.082 1.00 25.00 H new ATOM 0 HB3 GLU A 126 67.550 23.277 -16.544 1.00 25.00 H new ATOM 0 HG2 GLU A 126 67.505 21.755 -18.503 1.00 25.00 H new ATOM 0 HG3 GLU A 126 65.902 21.215 -18.043 1.00 25.00 H new ATOM 743 N LEU A 127 69.103 22.390 -14.274 1.00 25.00 N ATOM 744 CA LEU A 127 69.543 23.075 -13.064 1.00 25.00 C ATOM 745 C LEU A 127 68.744 24.351 -12.845 1.00 25.00 C ATOM 746 O LEU A 127 68.512 24.759 -11.706 1.00 25.00 O ATOM 747 CB LEU A 127 71.032 23.429 -13.151 1.00 25.00 C ATOM 748 CG LEU A 127 72.011 22.597 -12.310 1.00 25.00 C ATOM 749 CD1 LEU A 127 71.673 22.713 -10.826 1.00 25.00 C ATOM 750 CD2 LEU A 127 72.015 21.137 -12.733 1.00 25.00 C ATOM 0 H LEU A 127 69.814 22.319 -15.002 1.00 25.00 H new ATOM 0 HA LEU A 127 69.380 22.398 -12.226 1.00 25.00 H new ATOM 0 HB2 LEU A 127 71.335 23.351 -14.195 1.00 25.00 H new ATOM 0 HB3 LEU A 127 71.146 24.474 -12.863 1.00 25.00 H new ATOM 0 HG LEU A 127 73.010 22.997 -12.481 1.00 25.00 H new ATOM 0 HD11 LEU A 127 72.377 22.117 -10.245 1.00 25.00 H new ATOM 0 HD12 LEU A 127 71.740 23.756 -10.518 1.00 25.00 H new ATOM 0 HD13 LEU A 127 70.660 22.348 -10.654 1.00 25.00 H new ATOM 0 HD21 LEU A 127 72.720 20.581 -12.115 1.00 25.00 H new ATOM 0 HD22 LEU A 127 71.016 20.720 -12.609 1.00 25.00 H new ATOM 0 HD23 LEU A 127 72.312 21.062 -13.779 1.00 25.00 H new ATOM 762 N HIS A 128 68.309 24.975 -13.931 1.00 25.00 N ATOM 763 CA HIS A 128 67.508 26.191 -13.847 1.00 25.00 C ATOM 764 C HIS A 128 66.189 25.919 -13.127 1.00 25.00 C ATOM 765 O HIS A 128 65.761 26.698 -12.279 1.00 25.00 O ATOM 766 CB HIS A 128 67.227 26.738 -15.248 1.00 25.00 C ATOM 767 CG HIS A 128 67.006 28.218 -15.280 1.00 25.00 C ATOM 768 ND1 HIS A 128 67.570 29.060 -16.203 1.00 25.00 N ATOM 769 CD2 HIS A 128 66.267 29.026 -14.470 1.00 25.00 C ATOM 770 CE1 HIS A 128 67.172 30.297 -15.939 1.00 25.00 C ATOM 771 NE2 HIS A 128 66.388 30.341 -14.881 1.00 25.00 N ATOM 0 H HIS A 128 68.497 24.660 -14.883 1.00 25.00 H new ATOM 0 HA HIS A 128 68.072 26.931 -13.279 1.00 25.00 H new ATOM 0 HB2 HIS A 128 68.064 26.490 -15.901 1.00 25.00 H new ATOM 0 HB3 HIS A 128 66.347 26.239 -15.654 1.00 25.00 H new ATOM 0 HD1 HIS A 128 68.190 28.782 -16.964 1.00 25.00 H new ATOM 0 HD2 HIS A 128 65.675 28.690 -13.632 1.00 25.00 H new ATOM 0 HE1 HIS A 128 67.456 31.162 -16.520 1.00 25.00 H new ATOM 779 N ASN A 129 65.564 24.798 -13.444 1.00 25.00 N ATOM 780 CA ASN A 129 64.314 24.424 -12.793 1.00 25.00 C ATOM 781 C ASN A 129 64.582 23.857 -11.401 1.00 25.00 C ATOM 782 O ASN A 129 63.802 24.062 -10.482 1.00 25.00 O ATOM 783 CB ASN A 129 63.549 23.421 -13.657 1.00 25.00 C ATOM 784 CG ASN A 129 62.987 24.057 -14.902 1.00 25.00 C ATOM 785 OD1 ASN A 129 62.274 25.040 -14.829 1.00 25.00 O ATOM 786 ND2 ASN A 129 63.326 23.523 -16.039 1.00 25.00 N ATOM 0 H ASN A 129 65.896 24.133 -14.143 1.00 25.00 H new ATOM 0 HA ASN A 129 63.698 25.316 -12.678 1.00 25.00 H new ATOM 0 HB2 ASN A 129 64.213 22.603 -13.937 1.00 25.00 H new ATOM 0 HB3 ASN A 129 62.737 22.987 -13.074 1.00 25.00 H new ATOM 0 HD21 ASN A 129 62.992 23.929 -16.913 1.00 25.00 H new ATOM 0 HD22 ASN A 129 63.926 22.698 -16.056 1.00 25.00 H new ATOM 793 N PHE A 130 65.710 23.184 -11.223 1.00 25.00 N ATOM 794 CA PHE A 130 66.077 22.641 -9.913 1.00 25.00 C ATOM 795 C PHE A 130 66.229 23.755 -8.885 1.00 25.00 C ATOM 796 O PHE A 130 65.663 23.685 -7.798 1.00 25.00 O ATOM 797 CB PHE A 130 67.381 21.852 -10.010 1.00 25.00 C ATOM 798 CG PHE A 130 67.828 21.263 -8.699 1.00 25.00 C ATOM 799 CD1 PHE A 130 67.015 20.345 -8.008 1.00 25.00 C ATOM 800 CD2 PHE A 130 69.072 21.620 -8.146 1.00 25.00 C ATOM 801 CE1 PHE A 130 67.438 19.777 -6.781 1.00 25.00 C ATOM 802 CE2 PHE A 130 69.510 21.055 -6.925 1.00 25.00 C ATOM 803 CZ PHE A 130 68.692 20.129 -6.243 1.00 25.00 C ATOM 0 H PHE A 130 66.387 22.999 -11.963 1.00 25.00 H new ATOM 0 HA PHE A 130 65.277 21.975 -9.591 1.00 25.00 H new ATOM 0 HB2 PHE A 130 67.257 21.049 -10.736 1.00 25.00 H new ATOM 0 HB3 PHE A 130 68.165 22.507 -10.391 1.00 25.00 H new ATOM 0 HD1 PHE A 130 66.055 20.070 -8.419 1.00 25.00 H new ATOM 0 HD2 PHE A 130 69.699 22.333 -8.660 1.00 25.00 H new ATOM 0 HE1 PHE A 130 66.802 19.077 -6.260 1.00 25.00 H new ATOM 0 HE2 PHE A 130 70.470 21.332 -6.515 1.00 25.00 H new ATOM 0 HZ PHE A 130 69.025 19.692 -5.313 1.00 25.00 H new ATOM 813 N ARG A 131 66.956 24.812 -9.232 1.00 25.00 N ATOM 814 CA ARG A 131 67.114 25.938 -8.309 1.00 25.00 C ATOM 815 C ARG A 131 65.783 26.657 -8.064 1.00 25.00 C ATOM 816 O ARG A 131 65.594 27.214 -7.002 1.00 25.00 O ATOM 817 CB ARG A 131 68.195 26.922 -8.783 1.00 25.00 C ATOM 818 CG ARG A 131 67.843 27.706 -10.035 1.00 25.00 C ATOM 819 CD ARG A 131 68.948 28.660 -10.417 1.00 25.00 C ATOM 820 NE ARG A 131 68.567 29.459 -11.594 1.00 25.00 N ATOM 821 CZ ARG A 131 69.288 30.445 -12.115 1.00 25.00 C ATOM 822 NH1 ARG A 131 70.447 30.802 -11.614 1.00 25.00 N1+ ATOM 823 NH2 ARG A 131 68.838 31.087 -13.153 1.00 25.00 N ATOM 0 H ARG A 131 67.437 24.916 -10.125 1.00 25.00 H new ATOM 0 HA ARG A 131 67.447 25.522 -7.358 1.00 25.00 H new ATOM 0 HB2 ARG A 131 68.403 27.626 -7.977 1.00 25.00 H new ATOM 0 HB3 ARG A 131 69.115 26.367 -8.966 1.00 25.00 H new ATOM 0 HG2 ARG A 131 67.656 27.016 -10.858 1.00 25.00 H new ATOM 0 HG3 ARG A 131 66.921 28.263 -9.870 1.00 25.00 H new ATOM 0 HD2 ARG A 131 69.169 29.321 -9.579 1.00 25.00 H new ATOM 0 HD3 ARG A 131 69.859 28.101 -10.631 1.00 25.00 H new ATOM 0 HE ARG A 131 67.679 29.238 -12.045 1.00 25.00 H new ATOM 0 HH11 ARG A 131 70.821 30.317 -10.798 1.00 25.00 H new ATOM 0 HH12 ARG A 131 70.974 31.564 -12.040 1.00 25.00 H new ATOM 0 HH21 ARG A 131 67.938 30.832 -13.560 1.00 25.00 H new ATOM 0 HH22 ARG A 131 69.385 31.846 -13.560 1.00 25.00 H new ATOM 837 N ALA A 132 64.864 26.620 -9.022 1.00 25.00 N ATOM 838 CA ALA A 132 63.549 27.237 -8.836 1.00 25.00 C ATOM 839 C ALA A 132 62.727 26.426 -7.820 1.00 25.00 C ATOM 840 O ALA A 132 62.049 26.984 -6.965 1.00 25.00 O ATOM 841 CB ALA A 132 62.809 27.332 -10.181 1.00 25.00 C ATOM 0 H ALA A 132 65.000 26.174 -9.929 1.00 25.00 H new ATOM 0 HA ALA A 132 63.683 28.247 -8.448 1.00 25.00 H new ATOM 0 HB1 ALA A 132 61.833 27.793 -10.028 1.00 25.00 H new ATOM 0 HB2 ALA A 132 63.391 27.938 -10.875 1.00 25.00 H new ATOM 0 HB3 ALA A 132 62.677 26.332 -10.595 1.00 25.00 H new ATOM 847 N LEU A 133 62.825 25.107 -7.889 1.00 25.00 N ATOM 848 CA LEU A 133 62.154 24.244 -6.912 1.00 25.00 C ATOM 849 C LEU A 133 62.788 24.465 -5.538 1.00 25.00 C ATOM 850 O LEU A 133 62.106 24.525 -4.527 1.00 25.00 O ATOM 851 CB LEU A 133 62.276 22.771 -7.318 1.00 25.00 C ATOM 852 CG LEU A 133 61.069 22.163 -8.057 1.00 25.00 C ATOM 853 CD1 LEU A 133 60.766 22.861 -9.388 1.00 25.00 C ATOM 854 CD2 LEU A 133 61.336 20.680 -8.316 1.00 25.00 C ATOM 0 H LEU A 133 63.356 24.608 -8.603 1.00 25.00 H new ATOM 0 HA LEU A 133 61.095 24.498 -6.876 1.00 25.00 H new ATOM 0 HB2 LEU A 133 63.155 22.663 -7.953 1.00 25.00 H new ATOM 0 HB3 LEU A 133 62.458 22.183 -6.419 1.00 25.00 H new ATOM 0 HG LEU A 133 60.197 22.301 -7.418 1.00 25.00 H new ATOM 0 HD11 LEU A 133 59.906 22.387 -9.860 1.00 25.00 H new ATOM 0 HD12 LEU A 133 60.546 23.913 -9.205 1.00 25.00 H new ATOM 0 HD13 LEU A 133 61.631 22.780 -10.046 1.00 25.00 H new ATOM 0 HD21 LEU A 133 60.485 20.243 -8.839 1.00 25.00 H new ATOM 0 HD22 LEU A 133 62.232 20.573 -8.928 1.00 25.00 H new ATOM 0 HD23 LEU A 133 61.481 20.165 -7.366 1.00 25.00 H new ATOM 866 N CYS A 134 64.101 24.635 -5.516 1.00 25.00 N ATOM 867 CA CYS A 134 64.815 24.919 -4.272 1.00 25.00 C ATOM 868 C CYS A 134 64.377 26.261 -3.680 1.00 25.00 C ATOM 869 O CYS A 134 64.271 26.401 -2.470 1.00 25.00 O ATOM 870 CB CYS A 134 66.321 24.953 -4.535 1.00 25.00 C ATOM 871 SG CYS A 134 67.292 25.294 -3.057 1.00 25.00 S ATOM 0 H CYS A 134 64.697 24.582 -6.342 1.00 25.00 H new ATOM 0 HA CYS A 134 64.579 24.129 -3.559 1.00 25.00 H new ATOM 0 HB2 CYS A 134 66.632 23.996 -4.953 1.00 25.00 H new ATOM 0 HB3 CYS A 134 66.535 25.713 -5.286 1.00 25.00 H new ATOM 0 HG CYS A 134 66.515 25.763 -2.126 1.00 25.00 H new ATOM 877 N GLU A 135 64.138 27.243 -4.537 1.00 25.00 N ATOM 878 CA GLU A 135 63.702 28.572 -4.108 1.00 25.00 C ATOM 879 C GLU A 135 62.340 28.476 -3.422 1.00 25.00 C ATOM 880 O GLU A 135 62.121 29.081 -2.369 1.00 25.00 O ATOM 881 CB GLU A 135 63.645 29.494 -5.338 1.00 25.00 C ATOM 882 CG GLU A 135 63.146 30.903 -5.085 1.00 25.00 C ATOM 883 CD GLU A 135 63.569 31.866 -6.195 1.00 25.00 C ATOM 884 OE1 GLU A 135 63.578 31.461 -7.377 1.00 25.00 O1- ATOM 885 OE2 GLU A 135 63.969 33.013 -5.875 1.00 25.00 O1- ATOM 0 H GLU A 135 64.239 27.146 -5.547 1.00 25.00 H new ATOM 0 HA GLU A 135 64.407 28.988 -3.388 1.00 25.00 H new ATOM 0 HB2 GLU A 135 64.644 29.555 -5.769 1.00 25.00 H new ATOM 0 HB3 GLU A 135 63.002 29.030 -6.086 1.00 25.00 H new ATOM 0 HG2 GLU A 135 62.059 30.894 -5.007 1.00 25.00 H new ATOM 0 HG3 GLU A 135 63.532 31.259 -4.130 1.00 25.00 H new ATOM 892 N LEU A 136 61.454 27.668 -3.990 1.00 25.00 N ATOM 893 CA LEU A 136 60.121 27.464 -3.425 1.00 25.00 C ATOM 894 C LEU A 136 60.188 26.839 -2.032 1.00 25.00 C ATOM 895 O LEU A 136 59.565 27.334 -1.098 1.00 25.00 O ATOM 896 CB LEU A 136 59.302 26.553 -4.352 1.00 25.00 C ATOM 897 CG LEU A 136 57.849 26.270 -3.928 1.00 25.00 C ATOM 898 CD1 LEU A 136 56.988 27.537 -3.984 1.00 25.00 C ATOM 899 CD2 LEU A 136 57.258 25.199 -4.842 1.00 25.00 C ATOM 0 H LEU A 136 61.633 27.140 -4.844 1.00 25.00 H new ATOM 0 HA LEU A 136 59.643 28.440 -3.336 1.00 25.00 H new ATOM 0 HB2 LEU A 136 59.286 27.002 -5.345 1.00 25.00 H new ATOM 0 HB3 LEU A 136 59.823 25.600 -4.441 1.00 25.00 H new ATOM 0 HG LEU A 136 57.855 25.920 -2.896 1.00 25.00 H new ATOM 0 HD11 LEU A 136 55.969 27.298 -3.678 1.00 25.00 H new ATOM 0 HD12 LEU A 136 57.402 28.288 -3.312 1.00 25.00 H new ATOM 0 HD13 LEU A 136 56.979 27.926 -5.002 1.00 25.00 H new ATOM 0 HD21 LEU A 136 56.229 24.995 -4.546 1.00 25.00 H new ATOM 0 HD22 LEU A 136 57.276 25.551 -5.874 1.00 25.00 H new ATOM 0 HD23 LEU A 136 57.847 24.285 -4.760 1.00 25.00 H new ATOM 911 N GLU A 137 60.937 25.755 -1.900 1.00 25.00 N ATOM 912 CA GLU A 137 61.019 25.036 -0.624 1.00 25.00 C ATOM 913 C GLU A 137 61.802 25.810 0.439 1.00 25.00 C ATOM 914 O GLU A 137 61.511 25.711 1.629 1.00 25.00 O ATOM 915 CB GLU A 137 61.691 23.675 -0.828 1.00 25.00 C ATOM 916 CG GLU A 137 60.958 22.730 -1.781 1.00 25.00 C ATOM 917 CD GLU A 137 59.532 22.423 -1.349 1.00 25.00 C ATOM 918 OE1 GLU A 137 59.332 21.974 -0.200 1.00 25.00 O1- ATOM 919 OE2 GLU A 137 58.610 22.594 -2.178 1.00 25.00 O1- ATOM 0 H GLU A 137 61.496 25.351 -2.651 1.00 25.00 H new ATOM 0 HA GLU A 137 59.995 24.913 -0.271 1.00 25.00 H new ATOM 0 HB2 GLU A 137 62.700 23.838 -1.206 1.00 25.00 H new ATOM 0 HB3 GLU A 137 61.789 23.186 0.141 1.00 25.00 H new ATOM 0 HG2 GLU A 137 60.941 23.172 -2.777 1.00 25.00 H new ATOM 0 HG3 GLU A 137 61.516 21.797 -1.856 1.00 25.00 H new ATOM 926 N SER A 138 62.816 26.556 0.022 1.00 25.00 N ATOM 927 CA SER A 138 63.667 27.273 0.976 1.00 25.00 C ATOM 928 C SER A 138 63.156 28.676 1.308 1.00 25.00 C ATOM 929 O SER A 138 63.560 29.254 2.323 1.00 25.00 O ATOM 930 CB SER A 138 65.101 27.360 0.455 1.00 25.00 C ATOM 931 OG SER A 138 65.974 27.811 1.481 1.00 25.00 O ATOM 0 H SER A 138 63.072 26.683 -0.957 1.00 25.00 H new ATOM 0 HA SER A 138 63.639 26.695 1.900 1.00 25.00 H new ATOM 0 HB2 SER A 138 65.425 26.383 0.097 1.00 25.00 H new ATOM 0 HB3 SER A 138 65.145 28.041 -0.395 1.00 25.00 H new ATOM 0 HG SER A 138 66.903 27.659 1.210 1.00 25.00 H new ATOM 937 N GLY A 139 62.279 29.228 0.477 1.00 25.00 N ATOM 938 CA GLY A 139 61.663 30.515 0.779 1.00 25.00 C ATOM 939 C GLY A 139 62.606 31.707 0.780 1.00 25.00 C ATOM 940 O GLY A 139 62.424 32.647 1.558 1.00 25.00 O ATOM 0 H GLY A 139 61.980 28.809 -0.404 1.00 25.00 H new ATOM 0 HA2 GLY A 139 60.873 30.700 0.051 1.00 25.00 H new ATOM 0 HA3 GLY A 139 61.187 30.450 1.757 1.00 25.00 H new ATOM 944 N ILE A 140 63.622 31.676 -0.071 1.00 25.00 N ATOM 945 CA ILE A 140 64.607 32.763 -0.151 1.00 25.00 C ATOM 946 C ILE A 140 64.880 33.139 -1.602 1.00 25.00 C ATOM 947 O ILE A 140 64.849 32.279 -2.469 1.00 25.00 O ATOM 948 CB ILE A 140 65.965 32.356 0.479 1.00 25.00 C ATOM 949 CG1 ILE A 140 66.354 30.933 0.039 1.00 25.00 C ATOM 950 CG2 ILE A 140 65.891 32.446 2.009 1.00 25.00 C ATOM 951 CD1 ILE A 140 67.804 30.607 0.217 1.00 25.00 C ATOM 0 H ILE A 140 63.792 30.909 -0.722 1.00 25.00 H new ATOM 0 HA ILE A 140 64.180 33.603 0.396 1.00 25.00 H new ATOM 0 HB ILE A 140 66.733 33.046 0.130 1.00 25.00 H new ATOM 0 HG12 ILE A 140 65.760 30.215 0.605 1.00 25.00 H new ATOM 0 HG13 ILE A 140 66.091 30.806 -1.011 1.00 25.00 H new ATOM 0 HG21 ILE A 140 66.851 32.158 2.437 1.00 25.00 H new ATOM 0 HG22 ILE A 140 65.655 33.469 2.302 1.00 25.00 H new ATOM 0 HG23 ILE A 140 65.114 31.775 2.376 1.00 25.00 H new ATOM 0 HD11 ILE A 140 67.991 29.587 -0.117 1.00 25.00 H new ATOM 0 HD12 ILE A 140 68.407 31.298 -0.372 1.00 25.00 H new ATOM 0 HD13 ILE A 140 68.071 30.699 1.270 1.00 25.00 H new ATOM 963 N PRO A 141 65.173 34.425 -1.881 1.00 25.00 N ATOM 964 CA PRO A 141 65.481 34.756 -3.279 1.00 25.00 C ATOM 965 C PRO A 141 66.729 34.036 -3.790 1.00 25.00 C ATOM 966 O PRO A 141 67.833 34.220 -3.263 1.00 25.00 O ATOM 967 CB PRO A 141 65.710 36.275 -3.234 1.00 25.00 C ATOM 968 CG PRO A 141 65.001 36.724 -2.004 1.00 25.00 C ATOM 969 CD PRO A 141 65.250 35.624 -1.026 1.00 25.00 C ATOM 0 HA PRO A 141 64.686 34.449 -3.959 1.00 25.00 H new ATOM 0 HB2 PRO A 141 66.772 36.515 -3.189 1.00 25.00 H new ATOM 0 HB3 PRO A 141 65.310 36.763 -4.123 1.00 25.00 H new ATOM 0 HG2 PRO A 141 65.391 37.676 -1.643 1.00 25.00 H new ATOM 0 HG3 PRO A 141 63.935 36.864 -2.185 1.00 25.00 H new ATOM 0 HD2 PRO A 141 66.223 35.719 -0.545 1.00 25.00 H new ATOM 0 HD3 PRO A 141 64.503 35.607 -0.233 1.00 25.00 H new ATOM 977 N ALA A 142 66.562 33.225 -4.824 1.00 25.00 N ATOM 978 CA ALA A 142 67.669 32.470 -5.405 1.00 25.00 C ATOM 979 C ALA A 142 68.701 33.422 -6.009 1.00 25.00 C ATOM 980 O ALA A 142 69.886 33.102 -6.088 1.00 25.00 O ATOM 981 CB ALA A 142 67.143 31.503 -6.470 1.00 25.00 C ATOM 0 H ALA A 142 65.664 33.070 -5.283 1.00 25.00 H new ATOM 0 HA ALA A 142 68.153 31.892 -4.618 1.00 25.00 H new ATOM 0 HB1 ALA A 142 67.976 30.945 -6.897 1.00 25.00 H new ATOM 0 HB2 ALA A 142 66.437 30.809 -6.014 1.00 25.00 H new ATOM 0 HB3 ALA A 142 66.642 32.066 -7.257 1.00 25.00 H new ATOM 987 N ALA A 143 68.243 34.600 -6.408 1.00 25.00 N ATOM 988 CA ALA A 143 69.106 35.625 -6.994 1.00 25.00 C ATOM 989 C ALA A 143 70.179 36.117 -6.007 1.00 25.00 C ATOM 990 O ALA A 143 71.225 36.609 -6.416 1.00 25.00 O ATOM 991 CB ALA A 143 68.245 36.804 -7.466 1.00 25.00 C ATOM 0 H ALA A 143 67.264 34.876 -6.336 1.00 25.00 H new ATOM 0 HA ALA A 143 69.629 35.179 -7.840 1.00 25.00 H new ATOM 0 HB1 ALA A 143 68.885 37.570 -7.903 1.00 25.00 H new ATOM 0 HB2 ALA A 143 67.532 36.457 -8.214 1.00 25.00 H new ATOM 0 HB3 ALA A 143 67.706 37.224 -6.617 1.00 25.00 H new ATOM 997 N GLU A 144 69.909 35.979 -4.716 1.00 25.00 N ATOM 998 CA GLU A 144 70.832 36.431 -3.670 1.00 25.00 C ATOM 999 C GLU A 144 71.673 35.269 -3.143 1.00 25.00 C ATOM 1000 O GLU A 144 72.281 35.361 -2.076 1.00 25.00 O ATOM 1001 CB GLU A 144 70.040 37.042 -2.510 1.00 25.00 C ATOM 1002 CG GLU A 144 69.301 38.320 -2.873 1.00 25.00 C ATOM 1003 CD GLU A 144 68.519 38.878 -1.693 1.00 25.00 C ATOM 1004 OE1 GLU A 144 69.030 38.826 -0.550 1.00 25.00 O1- ATOM 1005 OE2 GLU A 144 67.377 39.335 -1.903 1.00 25.00 O1- ATOM 0 H GLU A 144 69.052 35.555 -4.361 1.00 25.00 H new ATOM 0 HA GLU A 144 71.497 37.178 -4.104 1.00 25.00 H new ATOM 0 HB2 GLU A 144 69.320 36.308 -2.148 1.00 25.00 H new ATOM 0 HB3 GLU A 144 70.723 37.251 -1.687 1.00 25.00 H new ATOM 0 HG2 GLU A 144 70.015 39.066 -3.221 1.00 25.00 H new ATOM 0 HG3 GLU A 144 68.619 38.123 -3.700 1.00 25.00 H new ATOM 1012 N SER A 145 71.685 34.159 -3.867 1.00 25.00 N ATOM 1013 CA SER A 145 72.377 32.962 -3.405 1.00 25.00 C ATOM 1014 C SER A 145 73.230 32.302 -4.478 1.00 25.00 C ATOM 1015 O SER A 145 73.085 32.571 -5.669 1.00 25.00 O ATOM 1016 CB SER A 145 71.348 31.953 -2.906 1.00 25.00 C ATOM 1017 OG SER A 145 70.637 31.376 -3.987 1.00 25.00 O ATOM 0 H SER A 145 71.226 34.061 -4.773 1.00 25.00 H new ATOM 0 HA SER A 145 73.052 33.276 -2.609 1.00 25.00 H new ATOM 0 HB2 SER A 145 71.848 31.170 -2.336 1.00 25.00 H new ATOM 0 HB3 SER A 145 70.650 32.445 -2.228 1.00 25.00 H new ATOM 0 HG SER A 145 70.431 32.068 -4.650 1.00 25.00 H new ATOM 1023 N GLN A 146 74.098 31.398 -4.045 1.00 25.00 N ATOM 1024 CA GLN A 146 74.895 30.586 -4.959 1.00 25.00 C ATOM 1025 C GLN A 146 74.781 29.139 -4.528 1.00 25.00 C ATOM 1026 O GLN A 146 74.627 28.853 -3.344 1.00 25.00 O ATOM 1027 CB GLN A 146 76.363 31.012 -4.955 1.00 25.00 C ATOM 1028 CG GLN A 146 76.603 32.366 -5.600 1.00 25.00 C ATOM 1029 CD GLN A 146 77.803 32.342 -6.514 1.00 25.00 C ATOM 1030 OE1 GLN A 146 78.933 32.206 -6.076 1.00 25.00 O ATOM 1031 NE2 GLN A 146 77.558 32.437 -7.795 1.00 25.00 N ATOM 0 H GLN A 146 74.270 31.206 -3.058 1.00 25.00 H new ATOM 0 HA GLN A 146 74.519 30.720 -5.973 1.00 25.00 H new ATOM 0 HB2 GLN A 146 76.722 31.040 -3.926 1.00 25.00 H new ATOM 0 HB3 GLN A 146 76.953 30.259 -5.478 1.00 25.00 H new ATOM 0 HG2 GLN A 146 75.720 32.661 -6.166 1.00 25.00 H new ATOM 0 HG3 GLN A 146 76.751 33.118 -4.825 1.00 25.00 H new ATOM 0 HE21 GLN A 146 76.599 32.550 -8.124 1.00 25.00 H new ATOM 0 HE22 GLN A 146 78.326 32.398 -8.465 1.00 25.00 H new ATOM 1040 N ILE A 147 74.858 28.233 -5.490 1.00 25.00 N ATOM 1041 CA ILE A 147 74.691 26.805 -5.239 1.00 25.00 C ATOM 1042 C ILE A 147 75.949 26.043 -5.690 1.00 25.00 C ATOM 1043 O ILE A 147 76.553 26.345 -6.730 1.00 25.00 O ATOM 1044 CB ILE A 147 73.386 26.290 -5.934 1.00 25.00 C ATOM 1045 CG1 ILE A 147 73.179 24.792 -5.630 1.00 25.00 C ATOM 1046 CG2 ILE A 147 73.407 26.620 -7.457 1.00 25.00 C ATOM 1047 CD1 ILE A 147 71.848 24.204 -6.142 1.00 25.00 C ATOM 0 H ILE A 147 75.038 28.464 -6.467 1.00 25.00 H new ATOM 0 HA ILE A 147 74.575 26.624 -4.170 1.00 25.00 H new ATOM 0 HB ILE A 147 72.521 26.813 -5.526 1.00 25.00 H new ATOM 0 HG12 ILE A 147 74.002 24.229 -6.071 1.00 25.00 H new ATOM 0 HG13 ILE A 147 73.234 24.644 -4.552 1.00 25.00 H new ATOM 0 HG21 ILE A 147 72.491 26.254 -7.921 1.00 25.00 H new ATOM 0 HG22 ILE A 147 73.477 27.699 -7.595 1.00 25.00 H new ATOM 0 HG23 ILE A 147 74.267 26.138 -7.922 1.00 25.00 H new ATOM 0 HD11 ILE A 147 71.793 23.147 -5.881 1.00 25.00 H new ATOM 0 HD12 ILE A 147 71.015 24.735 -5.682 1.00 25.00 H new ATOM 0 HD13 ILE A 147 71.794 24.314 -7.225 1.00 25.00 H new ATOM 1059 N VAL A 148 76.376 25.108 -4.854 1.00 25.00 N ATOM 1060 CA VAL A 148 77.615 24.364 -5.045 1.00 25.00 C ATOM 1061 C VAL A 148 77.366 22.895 -4.663 1.00 25.00 C ATOM 1062 O VAL A 148 76.603 22.605 -3.751 1.00 25.00 O ATOM 1063 CB VAL A 148 78.764 25.030 -4.180 1.00 25.00 C ATOM 1064 CG1 VAL A 148 78.457 24.975 -2.675 1.00 25.00 C ATOM 1065 CG2 VAL A 148 80.123 24.399 -4.453 1.00 25.00 C ATOM 0 H VAL A 148 75.866 24.840 -4.012 1.00 25.00 H new ATOM 0 HA VAL A 148 77.938 24.392 -6.086 1.00 25.00 H new ATOM 0 HB VAL A 148 78.803 26.076 -4.485 1.00 25.00 H new ATOM 0 HG11 VAL A 148 79.271 25.442 -2.120 1.00 25.00 H new ATOM 0 HG12 VAL A 148 77.528 25.508 -2.474 1.00 25.00 H new ATOM 0 HG13 VAL A 148 78.355 23.936 -2.362 1.00 25.00 H new ATOM 0 HG21 VAL A 148 80.880 24.886 -3.839 1.00 25.00 H new ATOM 0 HG22 VAL A 148 80.087 23.337 -4.210 1.00 25.00 H new ATOM 0 HG23 VAL A 148 80.376 24.521 -5.506 1.00 25.00 H new ATOM 1075 N TYR A 149 77.989 21.973 -5.377 1.00 25.00 N ATOM 1076 CA TYR A 149 77.847 20.541 -5.109 1.00 25.00 C ATOM 1077 C TYR A 149 79.209 19.912 -5.312 1.00 25.00 C ATOM 1078 O TYR A 149 79.899 20.254 -6.264 1.00 25.00 O ATOM 1079 CB TYR A 149 76.846 19.931 -6.079 1.00 25.00 C ATOM 1080 CG TYR A 149 77.104 18.476 -6.398 1.00 25.00 C ATOM 1081 CD1 TYR A 149 76.953 17.475 -5.414 1.00 25.00 C ATOM 1082 CD2 TYR A 149 77.503 18.088 -7.695 1.00 25.00 C ATOM 1083 CE1 TYR A 149 77.209 16.112 -5.721 1.00 25.00 C ATOM 1084 CE2 TYR A 149 77.741 16.726 -8.005 1.00 25.00 C ATOM 1085 CZ TYR A 149 77.598 15.753 -7.014 1.00 25.00 C ATOM 1086 OH TYR A 149 77.839 14.438 -7.304 1.00 25.00 O ATOM 0 H TYR A 149 78.608 22.189 -6.159 1.00 25.00 H new ATOM 0 HA TYR A 149 77.487 20.369 -4.095 1.00 25.00 H new ATOM 0 HB2 TYR A 149 75.845 20.028 -5.660 1.00 25.00 H new ATOM 0 HB3 TYR A 149 76.860 20.503 -7.007 1.00 25.00 H new ATOM 0 HD1 TYR A 149 76.640 17.748 -4.417 1.00 25.00 H new ATOM 0 HD2 TYR A 149 77.629 18.839 -8.461 1.00 25.00 H new ATOM 0 HE1 TYR A 149 77.103 15.356 -4.957 1.00 25.00 H new ATOM 0 HE2 TYR A 149 78.032 16.441 -9.005 1.00 25.00 H new ATOM 0 HH TYR A 149 77.018 13.918 -7.173 1.00 25.00 H new ATOM 1096 N ALA A 150 79.614 19.047 -4.385 1.00 25.00 N ATOM 1097 CA ALA A 150 80.930 18.402 -4.428 1.00 25.00 C ATOM 1098 C ALA A 150 82.029 19.457 -4.646 1.00 25.00 C ATOM 1099 O ALA A 150 82.897 19.289 -5.496 1.00 25.00 O ATOM 1100 CB ALA A 150 80.958 17.326 -5.538 1.00 25.00 C ATOM 0 H ALA A 150 79.044 18.772 -3.585 1.00 25.00 H new ATOM 0 HA ALA A 150 81.120 17.909 -3.475 1.00 25.00 H new ATOM 0 HB1 ALA A 150 81.940 16.853 -5.562 1.00 25.00 H new ATOM 0 HB2 ALA A 150 80.197 16.573 -5.334 1.00 25.00 H new ATOM 0 HB3 ALA A 150 80.757 17.793 -6.502 1.00 25.00 H new ATOM 1106 N GLU A 151 81.923 20.556 -3.896 1.00 25.00 N ATOM 1107 CA GLU A 151 82.841 21.721 -3.952 1.00 25.00 C ATOM 1108 C GLU A 151 82.927 22.442 -5.314 1.00 25.00 C ATOM 1109 O GLU A 151 83.749 23.342 -5.487 1.00 25.00 O ATOM 1110 CB GLU A 151 84.265 21.329 -3.545 1.00 25.00 C ATOM 1111 CG GLU A 151 84.410 20.577 -2.240 1.00 25.00 C ATOM 1112 CD GLU A 151 85.872 20.236 -1.975 1.00 25.00 C ATOM 1113 OE1 GLU A 151 86.558 19.761 -2.922 1.00 25.00 O ATOM 1114 OE2 GLU A 151 86.348 20.475 -0.848 1.00 25.00 O1- ATOM 0 H GLU A 151 81.178 20.674 -3.209 1.00 25.00 H new ATOM 0 HA GLU A 151 82.394 22.421 -3.246 1.00 25.00 H new ATOM 0 HB2 GLU A 151 84.691 20.718 -4.340 1.00 25.00 H new ATOM 0 HB3 GLU A 151 84.865 22.237 -3.484 1.00 25.00 H new ATOM 0 HG2 GLU A 151 84.018 21.180 -1.421 1.00 25.00 H new ATOM 0 HG3 GLU A 151 83.818 19.662 -2.274 1.00 25.00 H new ATOM 1121 N ARG A 152 82.090 22.069 -6.271 1.00 25.00 N ATOM 1122 CA ARG A 152 82.112 22.671 -7.607 1.00 25.00 C ATOM 1123 C ARG A 152 80.786 23.405 -7.852 1.00 25.00 C ATOM 1124 O ARG A 152 79.720 22.896 -7.510 1.00 25.00 O ATOM 1125 CB ARG A 152 82.345 21.565 -8.644 1.00 25.00 C ATOM 1126 CG ARG A 152 83.760 21.559 -9.273 1.00 25.00 C ATOM 1127 CD ARG A 152 84.926 21.492 -8.248 1.00 25.00 C ATOM 1128 NE ARG A 152 84.960 20.252 -7.449 1.00 25.00 N ATOM 1129 CZ ARG A 152 85.813 20.002 -6.456 1.00 25.00 C ATOM 1130 NH1 ARG A 152 86.730 20.860 -6.084 1.00 25.00 N1+ ATOM 1131 NH2 ARG A 152 85.738 18.876 -5.808 1.00 25.00 N ATOM 0 H ARG A 152 81.380 21.347 -6.151 1.00 25.00 H new ATOM 0 HA ARG A 152 82.920 23.398 -7.691 1.00 25.00 H new ATOM 0 HB2 ARG A 152 82.168 20.599 -8.172 1.00 25.00 H new ATOM 0 HB3 ARG A 152 81.608 21.671 -9.440 1.00 25.00 H new ATOM 0 HG2 ARG A 152 83.839 20.707 -9.949 1.00 25.00 H new ATOM 0 HG3 ARG A 152 83.878 22.458 -9.878 1.00 25.00 H new ATOM 0 HD2 ARG A 152 85.871 21.592 -8.783 1.00 25.00 H new ATOM 0 HD3 ARG A 152 84.850 22.344 -7.572 1.00 25.00 H new ATOM 0 HE ARG A 152 84.277 19.529 -7.674 1.00 25.00 H new ATOM 0 HH11 ARG A 152 86.810 21.759 -6.560 1.00 25.00 H new ATOM 0 HH12 ARG A 152 87.364 20.629 -5.319 1.00 25.00 H new ATOM 0 HH21 ARG A 152 85.028 18.188 -6.061 1.00 25.00 H new ATOM 0 HH22 ARG A 152 86.389 18.681 -5.047 1.00 25.00 H new ATOM 1145 N PRO A 153 80.837 24.649 -8.363 1.00 25.00 N ATOM 1146 CA PRO A 153 79.565 25.373 -8.475 1.00 25.00 C ATOM 1147 C PRO A 153 78.661 24.861 -9.588 1.00 25.00 C ATOM 1148 O PRO A 153 79.125 24.402 -10.632 1.00 25.00 O ATOM 1149 CB PRO A 153 80.016 26.807 -8.754 1.00 25.00 C ATOM 1150 CG PRO A 153 81.287 26.647 -9.492 1.00 25.00 C ATOM 1151 CD PRO A 153 81.966 25.484 -8.811 1.00 25.00 C ATOM 0 HA PRO A 153 78.957 25.257 -7.578 1.00 25.00 H new ATOM 0 HB2 PRO A 153 79.278 27.350 -9.344 1.00 25.00 H new ATOM 0 HB3 PRO A 153 80.159 27.367 -7.830 1.00 25.00 H new ATOM 0 HG2 PRO A 153 81.111 26.443 -10.548 1.00 25.00 H new ATOM 0 HG3 PRO A 153 81.895 27.550 -9.439 1.00 25.00 H new ATOM 0 HD2 PRO A 153 82.620 24.943 -9.495 1.00 25.00 H new ATOM 0 HD3 PRO A 153 82.582 25.812 -7.973 1.00 25.00 H new ATOM 1159 N LEU A 154 77.361 24.982 -9.370 1.00 25.00 N ATOM 1160 CA LEU A 154 76.358 24.557 -10.354 1.00 25.00 C ATOM 1161 C LEU A 154 75.856 25.795 -11.098 1.00 0.00 C ATOM 1162 O LEU A 154 74.669 26.102 -11.112 1.00 25.00 O ATOM 1163 CB LEU A 154 75.199 23.824 -9.660 1.00 25.00 C ATOM 1164 CG LEU A 154 75.566 22.595 -8.807 1.00 25.00 C ATOM 1165 CD1 LEU A 154 74.335 22.032 -8.104 1.00 25.00 C ATOM 1166 CD2 LEU A 154 76.183 21.512 -9.659 1.00 25.00 C ATOM 0 H LEU A 154 76.966 25.374 -8.515 1.00 25.00 H new ATOM 0 HA LEU A 154 76.804 23.861 -11.064 1.00 25.00 H new ATOM 0 HB2 LEU A 154 74.680 24.538 -9.021 1.00 25.00 H new ATOM 0 HB3 LEU A 154 74.491 23.507 -10.425 1.00 25.00 H new ATOM 0 HG LEU A 154 76.289 22.923 -8.060 1.00 25.00 H new ATOM 0 HD11 LEU A 154 74.621 21.165 -7.508 1.00 25.00 H new ATOM 0 HD12 LEU A 154 73.907 22.794 -7.453 1.00 25.00 H new ATOM 0 HD13 LEU A 154 73.596 21.734 -8.848 1.00 25.00 H new ATOM 0 HD21 LEU A 154 76.433 20.655 -9.033 1.00 25.00 H new ATOM 0 HD22 LEU A 154 75.474 21.205 -10.428 1.00 25.00 H new ATOM 0 HD23 LEU A 154 77.088 21.893 -10.132 1.00 25.00 H new ATOM 1178 N THR A 155 76.796 26.557 -11.636 1.00 25.00 N ATOM 1179 CA THR A 155 76.491 27.840 -12.268 1.00 25.00 C ATOM 1180 C THR A 155 75.910 27.719 -13.675 1.00 25.00 C ATOM 1181 O THR A 155 75.209 28.621 -14.140 1.00 25.00 O ATOM 1182 CB THR A 155 77.772 28.677 -12.371 1.00 25.00 C ATOM 1183 OG1 THR A 155 78.893 27.793 -12.485 1.00 25.00 O ATOM 1184 CG2 THR A 155 77.968 29.525 -11.125 1.00 25.00 C ATOM 0 H THR A 155 77.786 26.310 -11.649 1.00 25.00 H new ATOM 0 HA THR A 155 75.737 28.307 -11.635 1.00 25.00 H new ATOM 0 HB THR A 155 77.690 29.329 -13.241 1.00 25.00 H new ATOM 0 HG1 THR A 155 79.253 27.604 -11.593 1.00 25.00 H new ATOM 0 HG21 THR A 155 78.883 30.109 -11.223 1.00 25.00 H new ATOM 0 HG22 THR A 155 77.119 30.198 -11.006 1.00 25.00 H new ATOM 0 HG23 THR A 155 78.043 28.877 -10.252 1.00 25.00 H new ATOM 1192 N ASP A 156 76.202 26.624 -14.360 1.00 25.00 N ATOM 1193 CA ASP A 156 75.686 26.415 -15.714 1.00 25.00 C ATOM 1194 C ASP A 156 74.288 25.819 -15.610 1.00 25.00 C ATOM 1195 O ASP A 156 74.098 24.609 -15.507 1.00 25.00 O ATOM 1196 CB ASP A 156 76.609 25.520 -16.532 1.00 25.00 C ATOM 1197 CG ASP A 156 76.243 25.507 -18.005 1.00 25.00 C ATOM 1198 OD1 ASP A 156 75.135 25.965 -18.368 1.00 25.00 O1- ATOM 1199 OD2 ASP A 156 77.090 25.049 -18.807 1.00 25.00 O1- ATOM 0 H ASP A 156 76.789 25.868 -14.008 1.00 25.00 H new ATOM 0 HA ASP A 156 75.640 27.371 -16.236 1.00 25.00 H new ATOM 0 HB2 ASP A 156 77.638 25.863 -16.419 1.00 25.00 H new ATOM 0 HB3 ASP A 156 76.566 24.504 -16.140 1.00 25.00 H new ATOM 1204 N ASN A 157 73.319 26.713 -15.547 1.00 25.00 N ATOM 1205 CA ASN A 157 71.936 26.356 -15.268 1.00 25.00 C ATOM 1206 C ASN A 157 71.216 25.611 -16.396 1.00 25.00 C ATOM 1207 O ASN A 157 70.160 25.037 -16.168 1.00 25.00 O ATOM 1208 CB ASN A 157 71.160 27.627 -14.903 1.00 25.00 C ATOM 1209 CG ASN A 157 71.133 28.631 -16.026 1.00 25.00 C ATOM 1210 OD1 ASN A 157 70.329 28.549 -16.926 1.00 25.00 O ATOM 1211 ND2 ASN A 157 72.016 29.596 -15.967 1.00 25.00 N ATOM 0 H ASN A 157 73.467 27.712 -15.688 1.00 25.00 H new ATOM 0 HA ASN A 157 71.967 25.649 -14.439 1.00 25.00 H new ATOM 0 HB2 ASN A 157 70.138 27.360 -14.635 1.00 25.00 H new ATOM 0 HB3 ASN A 157 71.612 28.084 -14.023 1.00 25.00 H new ATOM 0 HD21 ASN A 157 72.041 30.310 -16.695 1.00 25.00 H new ATOM 0 HD22 ASN A 157 72.679 29.634 -15.193 1.00 25.00 H new ATOM 1218 N HIS A 158 71.787 25.593 -17.592 1.00 25.00 N ATOM 1219 CA HIS A 158 71.149 24.903 -18.716 1.00 25.00 C ATOM 1220 C HIS A 158 71.420 23.405 -18.675 1.00 25.00 C ATOM 1221 O HIS A 158 70.795 22.630 -19.385 1.00 25.00 O ATOM 1222 CB HIS A 158 71.666 25.462 -20.040 1.00 25.00 C ATOM 1223 CG HIS A 158 71.353 26.911 -20.237 1.00 25.00 C ATOM 1224 ND1 HIS A 158 72.281 27.916 -20.162 1.00 25.00 N ATOM 1225 CD2 HIS A 158 70.177 27.533 -20.529 1.00 25.00 C ATOM 1226 CE1 HIS A 158 71.663 29.071 -20.401 1.00 25.00 C ATOM 1227 NE2 HIS A 158 70.378 28.898 -20.631 1.00 25.00 N ATOM 0 H HIS A 158 72.677 26.039 -17.813 1.00 25.00 H new ATOM 0 HA HIS A 158 70.075 25.069 -18.634 1.00 25.00 H new ATOM 0 HB2 HIS A 158 72.746 25.322 -20.088 1.00 25.00 H new ATOM 0 HB3 HIS A 158 71.233 24.890 -20.861 1.00 25.00 H new ATOM 0 HD2 HIS A 158 69.228 27.034 -20.661 1.00 25.00 H new ATOM 0 HE1 HIS A 158 72.155 30.032 -20.406 1.00 25.00 H new ATOM 0 HE2 HIS A 158 69.682 29.614 -20.839 1.00 25.00 H new ATOM 1235 N ARG A 159 72.390 22.998 -17.868 1.00 25.00 N ATOM 1236 CA ARG A 159 72.743 21.586 -17.773 1.00 25.00 C ATOM 1237 C ARG A 159 71.729 20.847 -16.936 1.00 25.00 C ATOM 1238 O ARG A 159 71.136 21.412 -16.022 1.00 25.00 O ATOM 1239 CB ARG A 159 74.119 21.428 -17.142 1.00 25.00 C ATOM 1240 CG ARG A 159 75.215 21.890 -18.053 1.00 25.00 C ATOM 1241 CD ARG A 159 76.573 21.758 -17.413 1.00 25.00 C ATOM 1242 NE ARG A 159 77.573 22.336 -18.320 1.00 25.00 N ATOM 1243 CZ ARG A 159 78.406 21.659 -19.095 1.00 25.00 C ATOM 1244 NH1 ARG A 159 78.472 20.349 -19.095 1.00 25.00 N1+ ATOM 1245 NH2 ARG A 159 79.183 22.329 -19.898 1.00 25.00 N ATOM 0 H ARG A 159 72.942 23.617 -17.275 1.00 25.00 H new ATOM 0 HA ARG A 159 72.754 21.169 -18.780 1.00 25.00 H new ATOM 0 HB2 ARG A 159 74.158 21.996 -16.212 1.00 25.00 H new ATOM 0 HB3 ARG A 159 74.280 20.381 -16.884 1.00 25.00 H new ATOM 0 HG2 ARG A 159 75.190 21.308 -18.974 1.00 25.00 H new ATOM 0 HG3 ARG A 159 75.043 22.931 -18.328 1.00 25.00 H new ATOM 0 HD2 ARG A 159 76.591 22.272 -16.452 1.00 25.00 H new ATOM 0 HD3 ARG A 159 76.800 20.710 -17.218 1.00 25.00 H new ATOM 0 HE ARG A 159 77.631 23.354 -18.356 1.00 25.00 H new ATOM 0 HH11 ARG A 159 77.865 19.808 -18.480 1.00 25.00 H new ATOM 0 HH12 ARG A 159 79.130 19.872 -19.710 1.00 25.00 H new ATOM 0 HH21 ARG A 159 79.139 23.348 -19.918 1.00 25.00 H new ATOM 0 HH22 ARG A 159 79.835 21.835 -20.507 1.00 25.00 H new ATOM 1259 N SER A 160 71.591 19.564 -17.208 1.00 25.00 N ATOM 1260 CA SER A 160 70.752 18.701 -16.404 1.00 25.00 C ATOM 1261 C SER A 160 71.519 18.291 -15.157 1.00 25.00 C ATOM 1262 O SER A 160 72.749 18.363 -15.124 1.00 25.00 O ATOM 1263 CB SER A 160 70.389 17.457 -17.203 1.00 25.00 C ATOM 1264 OG SER A 160 69.915 17.822 -18.484 1.00 25.00 O ATOM 0 H SER A 160 72.054 19.095 -17.986 1.00 25.00 H new ATOM 0 HA SER A 160 69.841 19.230 -16.124 1.00 25.00 H new ATOM 0 HB2 SER A 160 71.261 16.811 -17.300 1.00 25.00 H new ATOM 0 HB3 SER A 160 69.626 16.886 -16.674 1.00 25.00 H new ATOM 0 HG SER A 160 69.334 17.114 -18.832 1.00 25.00 H new ATOM 1270 N LEU A 161 70.814 17.803 -14.154 1.00 25.00 N ATOM 1271 CA LEU A 161 71.456 17.304 -12.935 1.00 25.00 C ATOM 1272 C LEU A 161 72.367 16.116 -13.276 1.00 25.00 C ATOM 1273 O LEU A 161 73.497 16.004 -12.779 1.00 25.00 O ATOM 1274 CB LEU A 161 70.370 16.882 -11.942 1.00 25.00 C ATOM 1275 CG LEU A 161 69.484 18.035 -11.439 1.00 25.00 C ATOM 1276 CD1 LEU A 161 68.202 17.489 -10.873 1.00 25.00 C ATOM 1277 CD2 LEU A 161 70.192 18.865 -10.384 1.00 25.00 C ATOM 0 H LEU A 161 69.796 17.738 -14.151 1.00 25.00 H new ATOM 0 HA LEU A 161 72.068 18.087 -12.487 1.00 25.00 H new ATOM 0 HB2 LEU A 161 69.735 16.132 -12.414 1.00 25.00 H new ATOM 0 HB3 LEU A 161 70.845 16.404 -11.085 1.00 25.00 H new ATOM 0 HG LEU A 161 69.267 18.681 -12.290 1.00 25.00 H new ATOM 0 HD11 LEU A 161 67.581 18.312 -10.519 1.00 25.00 H new ATOM 0 HD12 LEU A 161 67.668 16.938 -11.647 1.00 25.00 H new ATOM 0 HD13 LEU A 161 68.427 16.821 -10.042 1.00 25.00 H new ATOM 0 HD21 LEU A 161 69.535 19.670 -10.053 1.00 25.00 H new ATOM 0 HD22 LEU A 161 70.448 18.232 -9.534 1.00 25.00 H new ATOM 0 HD23 LEU A 161 71.102 19.290 -10.806 1.00 25.00 H new ATOM 1289 N ALA A 162 71.911 15.280 -14.200 1.00 25.00 N ATOM 1290 CA ALA A 162 72.698 14.144 -14.681 1.00 25.00 C ATOM 1291 C ALA A 162 74.029 14.590 -15.300 1.00 25.00 C ATOM 1292 O ALA A 162 75.017 13.867 -15.235 1.00 25.00 O ATOM 1293 CB ALA A 162 71.885 13.341 -15.704 1.00 25.00 C ATOM 0 H ALA A 162 70.993 15.366 -14.636 1.00 25.00 H new ATOM 0 HA ALA A 162 72.930 13.515 -13.822 1.00 25.00 H new ATOM 0 HB1 ALA A 162 72.477 12.497 -16.058 1.00 25.00 H new ATOM 0 HB2 ALA A 162 70.972 12.973 -15.235 1.00 25.00 H new ATOM 0 HB3 ALA A 162 71.627 13.982 -16.547 1.00 25.00 H new ATOM 1299 N SER A 163 74.064 15.783 -15.879 1.00 25.00 N ATOM 1300 CA SER A 163 75.286 16.299 -16.499 1.00 25.00 C ATOM 1301 C SER A 163 76.361 16.633 -15.465 1.00 25.00 C ATOM 1302 O SER A 163 77.536 16.751 -15.805 1.00 25.00 O ATOM 1303 CB SER A 163 74.972 17.554 -17.306 1.00 25.00 C ATOM 1304 OG SER A 163 73.822 17.365 -18.113 1.00 25.00 O ATOM 0 H SER A 163 73.264 16.413 -15.934 1.00 25.00 H new ATOM 0 HA SER A 163 75.670 15.513 -17.149 1.00 25.00 H new ATOM 0 HB2 SER A 163 74.812 18.394 -16.631 1.00 25.00 H new ATOM 0 HB3 SER A 163 75.825 17.809 -17.936 1.00 25.00 H new ATOM 0 HG SER A 163 73.731 18.117 -18.734 1.00 25.00 H new ATOM 1310 N TYR A 164 75.960 16.761 -14.205 1.00 25.00 N ATOM 1311 CA TYR A 164 76.900 16.988 -13.105 1.00 25.00 C ATOM 1312 C TYR A 164 77.137 15.690 -12.344 1.00 25.00 C ATOM 1313 O TYR A 164 77.930 15.645 -11.408 1.00 25.00 O ATOM 1314 CB TYR A 164 76.340 18.024 -12.136 1.00 25.00 C ATOM 1315 CG TYR A 164 76.476 19.441 -12.620 1.00 25.00 C ATOM 1316 CD1 TYR A 164 77.690 20.135 -12.452 1.00 25.00 C ATOM 1317 CD2 TYR A 164 75.396 20.111 -13.227 1.00 25.00 C ATOM 1318 CE1 TYR A 164 77.823 21.481 -12.864 1.00 25.00 C ATOM 1319 CE2 TYR A 164 75.522 21.468 -13.637 1.00 25.00 C ATOM 1320 CZ TYR A 164 76.739 22.138 -13.446 1.00 25.00 C ATOM 1321 OH TYR A 164 76.903 23.449 -13.807 1.00 25.00 O ATOM 0 H TYR A 164 74.983 16.711 -13.915 1.00 25.00 H new ATOM 0 HA TYR A 164 77.838 17.348 -13.527 1.00 25.00 H new ATOM 0 HB2 TYR A 164 75.286 17.810 -11.958 1.00 25.00 H new ATOM 0 HB3 TYR A 164 76.851 17.926 -11.178 1.00 25.00 H new ATOM 0 HD1 TYR A 164 78.532 19.631 -12.001 1.00 25.00 H new ATOM 0 HD2 TYR A 164 74.463 19.590 -13.383 1.00 25.00 H new ATOM 0 HE1 TYR A 164 78.761 21.999 -12.728 1.00 25.00 H new ATOM 0 HE2 TYR A 164 74.686 21.978 -14.092 1.00 25.00 H new ATOM 0 HH TYR A 164 77.840 23.608 -14.044 1.00 25.00 H new ATOM 1331 N GLY A 165 76.424 14.643 -12.731 1.00 25.00 N ATOM 1332 CA GLY A 165 76.507 13.378 -12.025 1.00 25.00 C ATOM 1333 C GLY A 165 75.717 13.410 -10.733 1.00 25.00 C ATOM 1334 O GLY A 165 75.982 12.621 -9.826 1.00 25.00 O ATOM 0 H GLY A 165 75.785 14.646 -13.526 1.00 25.00 H new ATOM 0 HA2 GLY A 165 76.130 12.579 -12.663 1.00 25.00 H new ATOM 0 HA3 GLY A 165 77.550 13.149 -11.809 1.00 25.00 H new ATOM 1338 N LEU A 166 74.755 14.324 -10.639 1.00 25.00 N ATOM 1339 CA LEU A 166 73.938 14.451 -9.431 1.00 25.00 C ATOM 1340 C LEU A 166 72.941 13.308 -9.371 1.00 25.00 C ATOM 1341 O LEU A 166 71.803 13.431 -9.803 1.00 25.00 O ATOM 1342 CB LEU A 166 73.212 15.798 -9.407 1.00 25.00 C ATOM 1343 CG LEU A 166 74.077 16.928 -8.852 1.00 25.00 C ATOM 1344 CD1 LEU A 166 73.610 18.290 -9.320 1.00 25.00 C ATOM 1345 CD2 LEU A 166 74.045 16.866 -7.336 1.00 25.00 C ATOM 0 H LEU A 166 74.521 14.985 -11.379 1.00 25.00 H new ATOM 0 HA LEU A 166 74.588 14.405 -8.557 1.00 25.00 H new ATOM 0 HB2 LEU A 166 72.895 16.053 -10.418 1.00 25.00 H new ATOM 0 HB3 LEU A 166 72.309 15.708 -8.803 1.00 25.00 H new ATOM 0 HG LEU A 166 75.093 16.793 -9.222 1.00 25.00 H new ATOM 0 HD11 LEU A 166 74.256 19.061 -8.899 1.00 25.00 H new ATOM 0 HD12 LEU A 166 73.653 18.335 -10.408 1.00 25.00 H new ATOM 0 HD13 LEU A 166 72.585 18.456 -8.990 1.00 25.00 H new ATOM 0 HD21 LEU A 166 74.659 17.668 -6.926 1.00 25.00 H new ATOM 0 HD22 LEU A 166 73.018 16.981 -6.989 1.00 25.00 H new ATOM 0 HD23 LEU A 166 74.435 15.904 -7.003 1.00 25.00 H new ATOM 1357 N LYS A 167 73.417 12.180 -8.882 1.00 25.00 N ATOM 1358 CA LYS A 167 72.610 10.968 -8.747 1.00 25.00 C ATOM 1359 C LYS A 167 71.785 10.989 -7.462 1.00 25.00 C ATOM 1360 O LYS A 167 71.994 11.815 -6.568 1.00 25.00 O ATOM 1361 CB LYS A 167 73.522 9.742 -8.729 1.00 25.00 C ATOM 1362 CG LYS A 167 74.484 9.762 -7.563 1.00 25.00 C ATOM 1363 CD LYS A 167 75.221 8.480 -7.402 1.00 25.00 C ATOM 1364 CE LYS A 167 76.040 8.575 -6.136 1.00 25.00 C ATOM 1365 NZ LYS A 167 76.816 7.332 -5.908 1.00 25.00 N1+ ATOM 0 H LYS A 167 74.380 12.071 -8.563 1.00 25.00 H new ATOM 0 HA LYS A 167 71.930 10.923 -9.598 1.00 25.00 H new ATOM 0 HB2 LYS A 167 72.913 8.839 -8.680 1.00 25.00 H new ATOM 0 HB3 LYS A 167 74.085 9.696 -9.661 1.00 25.00 H new ATOM 0 HG2 LYS A 167 75.200 10.572 -7.702 1.00 25.00 H new ATOM 0 HG3 LYS A 167 73.933 9.977 -6.647 1.00 25.00 H new ATOM 0 HD2 LYS A 167 74.525 7.643 -7.345 1.00 25.00 H new ATOM 0 HD3 LYS A 167 75.866 8.299 -8.262 1.00 25.00 H new ATOM 0 HE2 LYS A 167 76.719 9.425 -6.202 1.00 25.00 H new ATOM 0 HE3 LYS A 167 75.382 8.758 -5.286 1.00 25.00 H new ATOM 0 HZ1 LYS A 167 77.369 7.424 -5.032 1.00 25.00 H new ATOM 0 HZ2 LYS A 167 76.164 6.526 -5.822 1.00 25.00 H new ATOM 0 HZ3 LYS A 167 77.460 7.173 -6.709 1.00 25.00 H new ATOM 1379 N ASP A 168 70.892 10.023 -7.351 1.00 25.00 N ATOM 1380 CA ASP A 168 70.068 9.872 -6.165 1.00 25.00 C ATOM 1381 C ASP A 168 70.926 9.780 -4.907 1.00 25.00 C ATOM 1382 O ASP A 168 71.896 9.022 -4.832 1.00 25.00 O ATOM 1383 CB ASP A 168 69.168 8.629 -6.280 1.00 25.00 C ATOM 1384 CG ASP A 168 69.962 7.332 -6.447 1.00 25.00 C ATOM 1385 OD1 ASP A 168 70.672 7.184 -7.475 1.00 25.00 O ATOM 1386 OD2 ASP A 168 69.797 6.424 -5.604 1.00 25.00 O1- ATOM 0 H ASP A 168 70.718 9.325 -8.074 1.00 25.00 H new ATOM 0 HA ASP A 168 69.437 10.757 -6.088 1.00 25.00 H new ATOM 0 HB2 ASP A 168 68.544 8.555 -5.389 1.00 25.00 H new ATOM 0 HB3 ASP A 168 68.497 8.750 -7.130 1.00 25.00 H new ATOM 1391 N GLY A 169 70.570 10.599 -3.931 1.00 25.00 N ATOM 1392 CA GLY A 169 71.272 10.618 -2.661 1.00 25.00 C ATOM 1393 C GLY A 169 72.329 11.696 -2.565 1.00 25.00 C ATOM 1394 O GLY A 169 72.817 11.970 -1.468 1.00 25.00 O ATOM 0 H GLY A 169 69.796 11.261 -3.996 1.00 25.00 H new ATOM 0 HA2 GLY A 169 70.548 10.759 -1.858 1.00 25.00 H new ATOM 0 HA3 GLY A 169 71.741 9.647 -2.501 1.00 25.00 H new ATOM 1398 N ASP A 170 72.686 12.330 -3.674 1.00 25.00 N ATOM 1399 CA ASP A 170 73.671 13.409 -3.610 1.00 25.00 C ATOM 1400 C ASP A 170 73.088 14.624 -2.888 1.00 25.00 C ATOM 1401 O ASP A 170 71.869 14.860 -2.890 1.00 25.00 O ATOM 1402 CB ASP A 170 74.140 13.817 -5.003 1.00 25.00 C ATOM 1403 CG ASP A 170 75.244 12.912 -5.538 1.00 25.00 C ATOM 1404 OD1 ASP A 170 76.012 12.335 -4.729 1.00 25.00 O ATOM 1405 OD2 ASP A 170 75.383 12.825 -6.771 1.00 25.00 O1- ATOM 0 H ASP A 170 72.323 12.127 -4.605 1.00 25.00 H new ATOM 0 HA ASP A 170 74.530 13.036 -3.053 1.00 25.00 H new ATOM 0 HB2 ASP A 170 73.293 13.795 -5.689 1.00 25.00 H new ATOM 0 HB3 ASP A 170 74.500 14.845 -4.974 1.00 25.00 H new ATOM 1410 N VAL A 171 73.969 15.385 -2.251 1.00 25.00 N ATOM 1411 CA VAL A 171 73.576 16.548 -1.459 1.00 25.00 C ATOM 1412 C VAL A 171 74.146 17.813 -2.093 1.00 25.00 C ATOM 1413 O VAL A 171 75.352 17.882 -2.356 1.00 25.00 O ATOM 1414 CB VAL A 171 74.114 16.440 0.005 1.00 25.00 C ATOM 1415 CG1 VAL A 171 73.542 17.574 0.885 1.00 25.00 C ATOM 1416 CG2 VAL A 171 73.765 15.068 0.619 1.00 25.00 C ATOM 0 H VAL A 171 74.975 15.216 -2.267 1.00 25.00 H new ATOM 0 HA VAL A 171 72.487 16.588 -1.435 1.00 25.00 H new ATOM 0 HB VAL A 171 75.199 16.539 -0.031 1.00 25.00 H new ATOM 0 HG11 VAL A 171 73.930 17.479 1.899 1.00 25.00 H new ATOM 0 HG12 VAL A 171 73.837 18.539 0.473 1.00 25.00 H new ATOM 0 HG13 VAL A 171 72.454 17.506 0.905 1.00 25.00 H new ATOM 0 HG21 VAL A 171 74.150 15.017 1.638 1.00 25.00 H new ATOM 0 HG22 VAL A 171 72.683 14.940 0.633 1.00 25.00 H new ATOM 0 HG23 VAL A 171 74.216 14.276 0.021 1.00 25.00 H new ATOM 1426 N VAL A 172 73.312 18.821 -2.313 1.00 25.00 N ATOM 1427 CA VAL A 172 73.796 20.095 -2.842 1.00 25.00 C ATOM 1428 C VAL A 172 73.784 21.094 -1.698 1.00 25.00 C ATOM 1429 O VAL A 172 73.043 20.932 -0.729 1.00 25.00 O ATOM 1430 CB VAL A 172 72.943 20.613 -4.042 1.00 25.00 C ATOM 1431 CG1 VAL A 172 72.882 19.557 -5.150 1.00 25.00 C ATOM 1432 CG2 VAL A 172 71.531 20.971 -3.607 1.00 25.00 C ATOM 0 H VAL A 172 72.308 18.786 -2.137 1.00 25.00 H new ATOM 0 HA VAL A 172 74.803 19.961 -3.236 1.00 25.00 H new ATOM 0 HB VAL A 172 73.426 21.513 -4.422 1.00 25.00 H new ATOM 0 HG11 VAL A 172 72.283 19.934 -5.979 1.00 25.00 H new ATOM 0 HG12 VAL A 172 73.891 19.339 -5.500 1.00 25.00 H new ATOM 0 HG13 VAL A 172 72.428 18.646 -4.760 1.00 25.00 H new ATOM 0 HG21 VAL A 172 70.965 21.328 -4.467 1.00 25.00 H new ATOM 0 HG22 VAL A 172 71.043 20.089 -3.192 1.00 25.00 H new ATOM 0 HG23 VAL A 172 71.571 21.753 -2.849 1.00 25.00 H new ATOM 1442 N ILE A 173 74.621 22.111 -1.792 1.00 25.00 N ATOM 1443 CA ILE A 173 74.731 23.122 -0.751 1.00 25.00 C ATOM 1444 C ILE A 173 74.440 24.467 -1.394 1.00 25.00 C ATOM 1445 O ILE A 173 75.047 24.831 -2.393 1.00 25.00 O ATOM 1446 CB ILE A 173 76.151 23.120 -0.107 1.00 25.00 C ATOM 1447 CG1 ILE A 173 76.397 21.774 0.610 1.00 25.00 C ATOM 1448 CG2 ILE A 173 76.311 24.314 0.879 1.00 25.00 C ATOM 1449 CD1 ILE A 173 77.851 21.543 1.058 1.00 25.00 C ATOM 0 H ILE A 173 75.242 22.261 -2.587 1.00 25.00 H new ATOM 0 HA ILE A 173 74.021 22.913 0.049 1.00 25.00 H new ATOM 0 HB ILE A 173 76.896 23.238 -0.893 1.00 25.00 H new ATOM 0 HG12 ILE A 173 75.748 21.719 1.484 1.00 25.00 H new ATOM 0 HG13 ILE A 173 76.103 20.963 -0.057 1.00 25.00 H new ATOM 0 HG21 ILE A 173 77.309 24.293 1.317 1.00 25.00 H new ATOM 0 HG22 ILE A 173 76.170 25.251 0.341 1.00 25.00 H new ATOM 0 HG23 ILE A 173 75.566 24.235 1.671 1.00 25.00 H new ATOM 0 HD11 ILE A 173 77.930 20.574 1.551 1.00 25.00 H new ATOM 0 HD12 ILE A 173 78.507 21.562 0.188 1.00 25.00 H new ATOM 0 HD13 ILE A 173 78.147 22.329 1.752 1.00 25.00 H new ATOM 1461 N LEU A 174 73.516 25.209 -0.815 1.00 25.00 N ATOM 1462 CA LEU A 174 73.169 26.533 -1.307 1.00 25.00 C ATOM 1463 C LEU A 174 73.520 27.512 -0.203 1.00 25.00 C ATOM 1464 O LEU A 174 73.282 27.241 0.963 1.00 25.00 O ATOM 1465 CB LEU A 174 71.683 26.586 -1.670 1.00 25.00 C ATOM 1466 CG LEU A 174 71.205 27.933 -2.235 1.00 25.00 C ATOM 1467 CD1 LEU A 174 70.218 27.720 -3.371 1.00 25.00 C ATOM 1468 CD2 LEU A 174 70.552 28.759 -1.139 1.00 25.00 C ATOM 0 H LEU A 174 72.986 24.915 0.005 1.00 25.00 H new ATOM 0 HA LEU A 174 73.717 26.785 -2.215 1.00 25.00 H new ATOM 0 HB2 LEU A 174 71.474 25.806 -2.402 1.00 25.00 H new ATOM 0 HB3 LEU A 174 71.098 26.353 -0.781 1.00 25.00 H new ATOM 0 HG LEU A 174 72.073 28.468 -2.621 1.00 25.00 H new ATOM 0 HD11 LEU A 174 69.893 28.686 -3.756 1.00 25.00 H new ATOM 0 HD12 LEU A 174 70.699 27.154 -4.169 1.00 25.00 H new ATOM 0 HD13 LEU A 174 69.354 27.166 -3.003 1.00 25.00 H new ATOM 0 HD21 LEU A 174 70.217 29.711 -1.551 1.00 25.00 H new ATOM 0 HD22 LEU A 174 69.696 28.217 -0.736 1.00 25.00 H new ATOM 0 HD23 LEU A 174 71.273 28.942 -0.343 1.00 25.00 H new ATOM 1480 N ARG A 175 74.140 28.625 -0.560 1.00 25.00 N ATOM 1481 CA ARG A 175 74.574 29.620 0.422 1.00 25.00 C ATOM 1482 C ARG A 175 73.918 30.956 0.138 1.00 25.00 C ATOM 1483 O ARG A 175 74.097 31.520 -0.939 1.00 25.00 O ATOM 1484 CB ARG A 175 76.095 29.767 0.371 1.00 25.00 C ATOM 1485 CG ARG A 175 76.837 28.480 0.722 1.00 25.00 C ATOM 1486 CD ARG A 175 78.350 28.671 0.674 1.00 25.00 C ATOM 1487 NE ARG A 175 78.809 29.670 1.656 1.00 25.00 N ATOM 1488 CZ ARG A 175 79.041 29.436 2.944 1.00 25.00 C ATOM 1489 NH1 ARG A 175 78.887 28.252 3.486 1.00 25.00 N1+ ATOM 1490 NH2 ARG A 175 79.435 30.420 3.704 1.00 25.00 N ATOM 0 H ARG A 175 74.357 28.868 -1.527 1.00 25.00 H new ATOM 0 HA ARG A 175 74.278 29.287 1.417 1.00 25.00 H new ATOM 0 HB2 ARG A 175 76.389 30.087 -0.629 1.00 25.00 H new ATOM 0 HB3 ARG A 175 76.401 30.554 1.060 1.00 25.00 H new ATOM 0 HG2 ARG A 175 76.543 28.151 1.719 1.00 25.00 H new ATOM 0 HG3 ARG A 175 76.547 27.692 0.027 1.00 25.00 H new ATOM 0 HD2 ARG A 175 78.843 27.718 0.868 1.00 25.00 H new ATOM 0 HD3 ARG A 175 78.645 28.984 -0.328 1.00 25.00 H new ATOM 0 HE ARG A 175 78.961 30.621 1.319 1.00 25.00 H new ATOM 0 HH11 ARG A 175 78.578 27.466 2.914 1.00 25.00 H new ATOM 0 HH12 ARG A 175 79.076 28.117 4.479 1.00 25.00 H new ATOM 0 HH21 ARG A 175 79.561 31.352 3.308 1.00 25.00 H new ATOM 0 HH22 ARG A 175 79.617 30.258 4.694 1.00 25.00 H new ATOM 1504 N GLN A 176 73.160 31.453 1.119 1.00 25.00 N ATOM 1505 CA GLN A 176 72.458 32.746 1.027 1.00 25.00 C ATOM 1506 C GLN A 176 72.875 33.686 2.163 1.00 25.00 C ATOM 1507 O GLN A 176 73.554 34.674 2.017 1.00 25.00 O ATOM 1508 CB GLN A 176 70.922 32.525 0.967 1.00 25.00 C ATOM 1509 CG GLN A 176 70.150 33.776 0.463 1.00 25.00 C ATOM 1510 CD GLN A 176 69.793 34.759 1.558 1.00 25.00 C ATOM 1511 OE1 GLN A 176 69.893 34.537 2.749 1.00 25.00 O ATOM 1512 NE2 GLN A 176 69.321 35.924 1.144 1.00 25.00 N ATOM 1513 OXT GLN A 176 72.525 33.351 3.261 1.00 25.00 O ATOM 0 H GLN A 176 73.012 30.971 2.006 1.00 25.00 H new ATOM 0 HA GLN A 176 72.750 33.238 0.099 1.00 25.00 H new ATOM 0 HB2 GLN A 176 70.707 31.682 0.310 1.00 25.00 H new ATOM 0 HB3 GLN A 176 70.560 32.256 1.959 1.00 25.00 H new ATOM 0 HG2 GLN A 176 70.755 34.286 -0.287 1.00 25.00 H new ATOM 0 HG3 GLN A 176 69.235 33.451 -0.032 1.00 25.00 H new ATOM 0 HE21 GLN A 176 69.236 36.114 0.145 1.00 25.00 H new ATOM 0 HE22 GLN A 176 69.043 36.632 1.823 1.00 25.00 H new