USER MOD reduce.3.24.130724 H: found=0, std=0, add=717, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 720 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 53 ASN : amide:sc= 1.02 K(o=2.2,f=-0.54) USER MOD Set 1.2: A 103 TYR OH : rot 141:sc= 1.17 USER MOD Set 2.1: A 30 SER OG : rot 123:sc= -1.47 USER MOD Set 2.2: A 100 MET CE :methyl -137:sc= -2.03 (180deg=-3.77!) USER MOD Set 3.1: A 23 MET CE :methyl -166:sc= -0.687 (180deg=-1.12) USER MOD Set 3.2: A 76 LYS NZ :NH3+ 174:sc= 0.676 (180deg=0.351) USER MOD Set 3.3: A 126 THR OG1 : rot -32:sc= 0.892 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 ASN : amide:sc=-0.00747 K(o=-0.0075,f=-0.98) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 ASN : amide:sc= 1.45 K(o=1.5,f=-3.8!) USER MOD Single : A 63 ASN : amide:sc= -0.231 K(o=-0.23,f=-1.3) USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 LYS NZ :NH3+ 139:sc= 2.21 (180deg=-1.77!) USER MOD Single : A 77 THR OG1 : rot -179:sc= 1.75 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 LYS NZ :NH3+ -152:sc= 1.25 (180deg=0.849) USER MOD Single : A 95 MET CE :methyl -115:sc= -0.669 (180deg=-5.2!) USER MOD Single : A 105 ASN : amide:sc= -0.0796 X(o=-0.08,f=-0.017) USER MOD Single : A 106 MET CE :methyl 161:sc= -0.114 (180deg=-0.588) USER MOD Single : A 124 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 129 LYS NZ :NH3+ -106:sc= 0.273 (180deg=-0.728) USER MOD Single : A 130 THR OG1 : rot 180:sc= 0.232 USER MOD Single : A 133 LYS NZ :NH3+ -153:sc= 1.27 (180deg=0.793) USER MOD Single : A 136 SER OG : rot 180:sc= 0 USER MOD Single : A 138 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 341 N MET A 23 11.043 0.950 9.465 1.00 2.10 N ATOM 342 CA MET A 23 10.185 1.481 8.405 1.00 54.02 C ATOM 343 C MET A 23 10.976 2.357 7.418 1.00 55.45 C ATOM 344 O MET A 23 11.937 3.036 7.795 1.00 21.20 O ATOM 345 CB MET A 23 9.030 2.273 9.027 1.00 34.43 C ATOM 346 CG MET A 23 9.472 3.450 9.892 1.00 31.14 C ATOM 347 SD MET A 23 8.117 4.110 10.886 1.00 13.43 S ATOM 348 CE MET A 23 6.844 4.217 9.637 1.00 24.33 C ATOM 0 HA MET A 23 9.783 0.642 7.838 1.00 54.02 H new ATOM 0 HB2 MET A 23 8.388 2.645 8.229 1.00 34.43 H new ATOM 0 HB3 MET A 23 8.426 1.598 9.633 1.00 34.43 H new ATOM 0 HG2 MET A 23 10.282 3.132 10.549 1.00 31.14 H new ATOM 0 HG3 MET A 23 9.870 4.239 9.254 1.00 31.14 H new ATOM 0 HE1 MET A 23 6.022 4.830 10.007 1.00 24.33 H new ATOM 0 HE2 MET A 23 7.256 4.669 8.735 1.00 24.33 H new ATOM 0 HE3 MET A 23 6.476 3.217 9.406 1.00 24.33 H new ATOM 358 N LEU A 24 10.563 2.337 6.155 1.00 44.40 N ATOM 359 CA LEU A 24 11.252 3.075 5.088 1.00 1.55 C ATOM 360 C LEU A 24 10.368 4.162 4.477 1.00 64.12 C ATOM 361 O LEU A 24 9.216 3.913 4.120 1.00 60.12 O ATOM 362 CB LEU A 24 11.706 2.104 3.994 1.00 43.23 C ATOM 363 CG LEU A 24 13.004 1.340 4.296 1.00 53.42 C ATOM 364 CD1 LEU A 24 13.055 0.028 3.523 1.00 25.42 C ATOM 365 CD2 LEU A 24 14.219 2.203 3.958 1.00 3.14 C ATOM 0 H LEU A 24 9.747 1.814 5.838 1.00 44.40 H new ATOM 0 HA LEU A 24 12.117 3.565 5.535 1.00 1.55 H new ATOM 0 HB2 LEU A 24 10.910 1.381 3.819 1.00 43.23 H new ATOM 0 HB3 LEU A 24 11.839 2.662 3.067 1.00 43.23 H new ATOM 0 HG LEU A 24 13.023 1.109 5.361 1.00 53.42 H new ATOM 0 HD11 LEU A 24 13.983 -0.494 3.754 1.00 25.42 H new ATOM 0 HD12 LEU A 24 12.207 -0.595 3.808 1.00 25.42 H new ATOM 0 HD13 LEU A 24 13.011 0.234 2.454 1.00 25.42 H new ATOM 0 HD21 LEU A 24 15.131 1.648 4.177 1.00 3.14 H new ATOM 0 HD22 LEU A 24 14.198 2.463 2.900 1.00 3.14 H new ATOM 0 HD23 LEU A 24 14.196 3.114 4.556 1.00 3.14 H new ATOM 377 N GLU A 25 10.916 5.364 4.354 1.00 13.41 N ATOM 378 CA GLU A 25 10.206 6.455 3.690 1.00 15.11 C ATOM 379 C GLU A 25 10.157 6.250 2.181 1.00 23.53 C ATOM 380 O GLU A 25 11.155 5.902 1.545 1.00 31.12 O ATOM 381 CB GLU A 25 10.823 7.816 4.013 1.00 24.23 C ATOM 382 CG GLU A 25 10.371 8.380 5.352 1.00 52.13 C ATOM 383 CD GLU A 25 11.163 7.824 6.527 1.00 44.41 C ATOM 384 OE1 GLU A 25 10.805 6.745 7.047 1.00 40.05 O ATOM 385 OE2 GLU A 25 12.161 8.453 6.923 1.00 60.30 O ATOM 0 H GLU A 25 11.843 5.610 4.702 1.00 13.41 H new ATOM 0 HA GLU A 25 9.187 6.444 4.076 1.00 15.11 H new ATOM 0 HB2 GLU A 25 11.909 7.724 4.014 1.00 24.23 H new ATOM 0 HB3 GLU A 25 10.564 8.521 3.223 1.00 24.23 H new ATOM 0 HG2 GLU A 25 10.469 9.465 5.335 1.00 52.13 H new ATOM 0 HG3 GLU A 25 9.314 8.158 5.496 1.00 52.13 H new ATOM 392 N VAL A 26 8.991 6.505 1.620 1.00 50.41 N ATOM 393 CA VAL A 26 8.712 6.205 0.215 1.00 22.35 C ATOM 394 C VAL A 26 7.725 7.206 -0.390 1.00 0.02 C ATOM 395 O VAL A 26 6.967 7.857 0.327 1.00 2.34 O ATOM 396 CB VAL A 26 8.127 4.776 0.050 1.00 20.13 C ATOM 397 CG1 VAL A 26 9.181 3.704 0.334 1.00 10.35 C ATOM 398 CG2 VAL A 26 6.914 4.597 0.961 1.00 4.12 C ATOM 0 H VAL A 26 8.206 6.925 2.118 1.00 50.41 H new ATOM 0 HA VAL A 26 9.664 6.275 -0.310 1.00 22.35 H new ATOM 0 HB VAL A 26 7.810 4.657 -0.986 1.00 20.13 H new ATOM 0 HG11 VAL A 26 8.738 2.716 0.209 1.00 10.35 H new ATOM 0 HG12 VAL A 26 10.013 3.819 -0.361 1.00 10.35 H new ATOM 0 HG13 VAL A 26 9.544 3.812 1.356 1.00 10.35 H new ATOM 0 HG21 VAL A 26 6.511 3.592 0.838 1.00 4.12 H new ATOM 0 HG22 VAL A 26 7.214 4.743 1.999 1.00 4.12 H new ATOM 0 HG23 VAL A 26 6.150 5.329 0.698 1.00 4.12 H new ATOM 408 N GLU A 27 7.734 7.326 -1.710 1.00 44.52 N ATOM 409 CA GLU A 27 6.721 8.124 -2.406 1.00 11.22 C ATOM 410 C GLU A 27 5.623 7.211 -2.970 1.00 71.32 C ATOM 411 O GLU A 27 5.864 6.415 -3.880 1.00 21.54 O ATOM 412 CB GLU A 27 7.353 8.965 -3.524 1.00 54.21 C ATOM 413 CG GLU A 27 6.380 9.944 -4.173 1.00 73.34 C ATOM 414 CD GLU A 27 7.055 10.899 -5.144 1.00 23.41 C ATOM 415 OE1 GLU A 27 7.845 11.753 -4.689 1.00 3.44 O ATOM 416 OE2 GLU A 27 6.796 10.807 -6.361 1.00 44.34 O ATOM 0 H GLU A 27 8.423 6.887 -2.321 1.00 44.52 H new ATOM 0 HA GLU A 27 6.272 8.809 -1.687 1.00 11.22 H new ATOM 0 HB2 GLU A 27 8.198 9.521 -3.117 1.00 54.21 H new ATOM 0 HB3 GLU A 27 7.750 8.298 -4.289 1.00 54.21 H new ATOM 0 HG2 GLU A 27 5.608 9.384 -4.701 1.00 73.34 H new ATOM 0 HG3 GLU A 27 5.880 10.520 -3.394 1.00 73.34 H new ATOM 423 N VAL A 28 4.428 7.324 -2.401 1.00 1.12 N ATOM 424 CA VAL A 28 3.300 6.451 -2.738 1.00 71.33 C ATOM 425 C VAL A 28 2.488 7.010 -3.915 1.00 72.32 C ATOM 426 O VAL A 28 1.764 7.999 -3.782 1.00 73.23 O ATOM 427 CB VAL A 28 2.361 6.268 -1.520 1.00 4.52 C ATOM 428 CG1 VAL A 28 1.254 5.262 -1.827 1.00 42.34 C ATOM 429 CG2 VAL A 28 3.158 5.854 -0.283 1.00 1.31 C ATOM 0 H VAL A 28 4.210 8.023 -1.691 1.00 1.12 H new ATOM 0 HA VAL A 28 3.719 5.486 -3.024 1.00 71.33 H new ATOM 0 HB VAL A 28 1.886 7.226 -1.310 1.00 4.52 H new ATOM 0 HG11 VAL A 28 0.609 5.153 -0.955 1.00 42.34 H new ATOM 0 HG12 VAL A 28 0.664 5.617 -2.672 1.00 42.34 H new ATOM 0 HG13 VAL A 28 1.697 4.297 -2.074 1.00 42.34 H new ATOM 0 HG21 VAL A 28 2.480 5.731 0.562 1.00 1.31 H new ATOM 0 HG22 VAL A 28 3.670 4.912 -0.478 1.00 1.31 H new ATOM 0 HG23 VAL A 28 3.893 6.624 -0.049 1.00 1.31 H new ATOM 439 N ILE A 29 2.608 6.370 -5.068 1.00 71.35 N ATOM 440 CA ILE A 29 1.908 6.822 -6.271 1.00 72.23 C ATOM 441 C ILE A 29 0.548 6.128 -6.418 1.00 63.40 C ATOM 442 O ILE A 29 0.361 5.010 -5.941 1.00 1.12 O ATOM 443 CB ILE A 29 2.747 6.546 -7.541 1.00 41.42 C ATOM 444 CG1 ILE A 29 4.242 6.739 -7.244 1.00 34.34 C ATOM 445 CG2 ILE A 29 2.301 7.473 -8.672 1.00 62.11 C ATOM 446 CD1 ILE A 29 5.149 6.371 -8.395 1.00 45.30 C ATOM 0 H ILE A 29 3.181 5.537 -5.201 1.00 71.35 H new ATOM 0 HA ILE A 29 1.755 7.896 -6.163 1.00 72.23 H new ATOM 0 HB ILE A 29 2.589 5.513 -7.852 1.00 41.42 H new ATOM 0 HG12 ILE A 29 4.417 7.781 -6.975 1.00 34.34 H new ATOM 0 HG13 ILE A 29 4.510 6.137 -6.376 1.00 34.34 H new ATOM 0 HG21 ILE A 29 2.896 7.273 -9.563 1.00 62.11 H new ATOM 0 HG22 ILE A 29 1.248 7.298 -8.892 1.00 62.11 H new ATOM 0 HG23 ILE A 29 2.440 8.511 -8.368 1.00 62.11 H new ATOM 0 HD11 ILE A 29 6.187 6.535 -8.107 1.00 45.30 H new ATOM 0 HD12 ILE A 29 5.005 5.321 -8.651 1.00 45.30 H new ATOM 0 HD13 ILE A 29 4.910 6.991 -9.259 1.00 45.30 H new ATOM 458 N SER A 30 -0.396 6.787 -7.088 1.00 52.31 N ATOM 459 CA SER A 30 -1.728 6.212 -7.311 1.00 12.54 C ATOM 460 C SER A 30 -2.169 6.385 -8.773 1.00 32.12 C ATOM 461 O SER A 30 -2.553 7.475 -9.196 1.00 63.44 O ATOM 462 CB SER A 30 -2.755 6.853 -6.371 1.00 45.34 C ATOM 463 OG SER A 30 -3.999 6.176 -6.432 1.00 24.32 O ATOM 0 H SER A 30 -0.267 7.717 -7.486 1.00 52.31 H new ATOM 0 HA SER A 30 -1.671 5.145 -7.096 1.00 12.54 H new ATOM 0 HB2 SER A 30 -2.378 6.834 -5.349 1.00 45.34 H new ATOM 0 HB3 SER A 30 -2.894 7.900 -6.640 1.00 45.34 H new ATOM 0 HG SER A 30 -4.247 5.866 -5.536 1.00 24.32 H new ATOM 469 N GLY A 31 -2.094 5.302 -9.545 1.00 33.05 N ATOM 470 CA GLY A 31 -2.443 5.361 -10.966 1.00 33.14 C ATOM 471 C GLY A 31 -3.883 4.941 -11.254 1.00 75.52 C ATOM 472 O GLY A 31 -4.255 3.782 -11.043 1.00 21.13 O ATOM 0 H GLY A 31 -1.798 4.383 -9.217 1.00 33.05 H new ATOM 0 HA2 GLY A 31 -2.289 6.377 -11.329 1.00 33.14 H new ATOM 0 HA3 GLY A 31 -1.765 4.717 -11.526 1.00 33.14 H new ATOM 711 N GLU A 47 -13.240 -8.960 -8.246 1.00 33.02 N ATOM 712 CA GLU A 47 -12.469 -8.412 -9.370 1.00 20.52 C ATOM 713 C GLU A 47 -11.814 -7.072 -8.982 1.00 23.20 C ATOM 714 O GLU A 47 -10.631 -6.842 -9.243 1.00 62.43 O ATOM 715 CB GLU A 47 -13.397 -8.221 -10.581 1.00 60.12 C ATOM 716 CG GLU A 47 -12.719 -7.635 -11.817 1.00 22.04 C ATOM 717 CD GLU A 47 -13.702 -7.379 -12.950 1.00 52.24 C ATOM 718 OE1 GLU A 47 -14.327 -6.296 -12.972 1.00 54.52 O ATOM 719 OE2 GLU A 47 -13.874 -8.267 -13.812 1.00 62.03 O ATOM 0 HA GLU A 47 -11.675 -9.113 -9.629 1.00 20.52 H new ATOM 0 HB2 GLU A 47 -13.832 -9.185 -10.844 1.00 60.12 H new ATOM 0 HB3 GLU A 47 -14.221 -7.569 -10.291 1.00 60.12 H new ATOM 0 HG2 GLU A 47 -12.226 -6.701 -11.549 1.00 22.04 H new ATOM 0 HG3 GLU A 47 -11.942 -8.318 -12.161 1.00 22.04 H new ATOM 726 N TYR A 48 -12.596 -6.204 -8.337 1.00 52.14 N ATOM 727 CA TYR A 48 -12.105 -4.903 -7.864 1.00 55.21 C ATOM 728 C TYR A 48 -11.055 -5.101 -6.758 1.00 34.43 C ATOM 729 O TYR A 48 -10.059 -4.377 -6.683 1.00 42.12 O ATOM 730 CB TYR A 48 -13.286 -4.071 -7.327 1.00 33.34 C ATOM 731 CG TYR A 48 -13.059 -2.567 -7.329 1.00 45.11 C ATOM 732 CD1 TYR A 48 -12.374 -1.930 -6.296 1.00 0.22 C ATOM 733 CD2 TYR A 48 -13.536 -1.781 -8.373 1.00 51.42 C ATOM 734 CE1 TYR A 48 -12.171 -0.565 -6.312 1.00 25.21 C ATOM 735 CE2 TYR A 48 -13.341 -0.414 -8.392 1.00 74.41 C ATOM 736 CZ TYR A 48 -12.656 0.190 -7.360 1.00 72.13 C ATOM 737 OH TYR A 48 -12.443 1.549 -7.375 1.00 61.13 O ATOM 0 H TYR A 48 -13.579 -6.378 -8.128 1.00 52.14 H new ATOM 0 HA TYR A 48 -11.639 -4.374 -8.695 1.00 55.21 H new ATOM 0 HB2 TYR A 48 -14.170 -4.292 -7.926 1.00 33.34 H new ATOM 0 HB3 TYR A 48 -13.503 -4.390 -6.308 1.00 33.34 H new ATOM 0 HD1 TYR A 48 -11.996 -2.514 -5.470 1.00 0.22 H new ATOM 0 HD2 TYR A 48 -14.070 -2.250 -9.186 1.00 51.42 H new ATOM 0 HE1 TYR A 48 -11.633 -0.089 -5.506 1.00 25.21 H new ATOM 0 HE2 TYR A 48 -13.723 0.178 -9.211 1.00 74.41 H new ATOM 0 HH TYR A 48 -12.846 1.934 -8.181 1.00 61.13 H new ATOM 747 N PHE A 49 -11.289 -6.107 -5.915 1.00 31.00 N ATOM 748 CA PHE A 49 -10.389 -6.437 -4.808 1.00 74.43 C ATOM 749 C PHE A 49 -8.977 -6.758 -5.322 1.00 4.11 C ATOM 750 O PHE A 49 -8.020 -6.044 -5.029 1.00 22.21 O ATOM 751 CB PHE A 49 -10.965 -7.629 -4.023 1.00 11.32 C ATOM 752 CG PHE A 49 -10.149 -8.053 -2.822 1.00 55.24 C ATOM 753 CD1 PHE A 49 -10.383 -7.493 -1.574 1.00 54.30 C ATOM 754 CD2 PHE A 49 -9.162 -9.026 -2.938 1.00 72.22 C ATOM 755 CE1 PHE A 49 -9.652 -7.893 -0.471 1.00 2.42 C ATOM 756 CE2 PHE A 49 -8.427 -9.424 -1.839 1.00 61.14 C ATOM 757 CZ PHE A 49 -8.673 -8.858 -0.603 1.00 20.21 C ATOM 0 H PHE A 49 -12.105 -6.715 -5.979 1.00 31.00 H new ATOM 0 HA PHE A 49 -10.309 -5.574 -4.147 1.00 74.43 H new ATOM 0 HB2 PHE A 49 -11.971 -7.374 -3.689 1.00 11.32 H new ATOM 0 HB3 PHE A 49 -11.059 -8.479 -4.699 1.00 11.32 H new ATOM 0 HD1 PHE A 49 -11.145 -6.736 -1.463 1.00 54.30 H new ATOM 0 HD2 PHE A 49 -8.968 -9.476 -3.900 1.00 72.22 H new ATOM 0 HE1 PHE A 49 -9.847 -7.450 0.495 1.00 2.42 H new ATOM 0 HE2 PHE A 49 -7.660 -10.177 -1.946 1.00 61.14 H new ATOM 0 HZ PHE A 49 -8.101 -9.170 0.258 1.00 20.21 H new ATOM 767 N ASN A 50 -8.868 -7.817 -6.121 1.00 43.13 N ATOM 768 CA ASN A 50 -7.572 -8.282 -6.633 1.00 62.22 C ATOM 769 C ASN A 50 -6.794 -7.179 -7.377 1.00 62.44 C ATOM 770 O ASN A 50 -5.565 -7.232 -7.474 1.00 15.20 O ATOM 771 CB ASN A 50 -7.774 -9.488 -7.560 1.00 73.05 C ATOM 772 CG ASN A 50 -8.374 -10.677 -6.834 1.00 20.42 C ATOM 773 OD1 ASN A 50 -8.148 -10.870 -5.643 1.00 75.14 O ATOM 774 ND2 ASN A 50 -9.135 -11.487 -7.539 1.00 11.41 N ATOM 0 H ASN A 50 -9.663 -8.375 -6.432 1.00 43.13 H new ATOM 0 HA ASN A 50 -6.975 -8.571 -5.768 1.00 62.22 H new ATOM 0 HB2 ASN A 50 -8.425 -9.203 -8.387 1.00 73.05 H new ATOM 0 HB3 ASN A 50 -6.816 -9.775 -7.993 1.00 73.05 H new ATOM 0 HD21 ASN A 50 -9.557 -12.304 -7.097 1.00 11.41 H new ATOM 0 HD22 ASN A 50 -9.303 -11.298 -8.527 1.00 11.41 H new ATOM 781 N ALA A 51 -7.513 -6.184 -7.889 1.00 34.43 N ATOM 782 CA ALA A 51 -6.904 -5.108 -8.680 1.00 42.32 C ATOM 783 C ALA A 51 -6.268 -4.004 -7.809 1.00 73.53 C ATOM 784 O ALA A 51 -5.197 -3.495 -8.131 1.00 24.01 O ATOM 785 CB ALA A 51 -7.950 -4.509 -9.614 1.00 22.10 C ATOM 0 H ALA A 51 -8.522 -6.097 -7.772 1.00 34.43 H new ATOM 0 HA ALA A 51 -6.093 -5.550 -9.258 1.00 42.32 H new ATOM 0 HB1 ALA A 51 -7.498 -3.710 -10.202 1.00 22.10 H new ATOM 0 HB2 ALA A 51 -8.326 -5.283 -10.283 1.00 22.10 H new ATOM 0 HB3 ALA A 51 -8.774 -4.105 -9.026 1.00 22.10 H new ATOM 791 N VAL A 52 -6.929 -3.628 -6.711 1.00 72.10 N ATOM 792 CA VAL A 52 -6.463 -2.501 -5.873 1.00 22.35 C ATOM 793 C VAL A 52 -5.888 -2.949 -4.513 1.00 1.45 C ATOM 794 O VAL A 52 -5.681 -2.126 -3.619 1.00 24.10 O ATOM 795 CB VAL A 52 -7.613 -1.491 -5.617 1.00 61.42 C ATOM 796 CG1 VAL A 52 -8.123 -0.911 -6.934 1.00 43.21 C ATOM 797 CG2 VAL A 52 -8.748 -2.144 -4.833 1.00 74.41 C ATOM 0 H VAL A 52 -7.782 -4.078 -6.377 1.00 72.10 H new ATOM 0 HA VAL A 52 -5.659 -2.029 -6.438 1.00 22.35 H new ATOM 0 HB VAL A 52 -7.219 -0.672 -5.015 1.00 61.42 H new ATOM 0 HG11 VAL A 52 -8.929 -0.205 -6.733 1.00 43.21 H new ATOM 0 HG12 VAL A 52 -7.309 -0.396 -7.444 1.00 43.21 H new ATOM 0 HG13 VAL A 52 -8.496 -1.717 -7.566 1.00 43.21 H new ATOM 0 HG21 VAL A 52 -9.541 -1.415 -4.667 1.00 74.41 H new ATOM 0 HG22 VAL A 52 -9.143 -2.988 -5.399 1.00 74.41 H new ATOM 0 HG23 VAL A 52 -8.371 -2.496 -3.873 1.00 74.41 H new ATOM 807 N ASN A 53 -5.612 -4.239 -4.363 1.00 34.12 N ATOM 808 CA ASN A 53 -5.141 -4.789 -3.075 1.00 54.34 C ATOM 809 C ASN A 53 -3.634 -5.096 -3.053 1.00 34.20 C ATOM 810 O ASN A 53 -3.183 -5.926 -2.267 1.00 33.12 O ATOM 811 CB ASN A 53 -5.941 -6.055 -2.734 1.00 32.51 C ATOM 812 CG ASN A 53 -7.179 -5.745 -1.918 1.00 13.53 C ATOM 813 OD1 ASN A 53 -7.213 -5.968 -0.712 1.00 63.23 O ATOM 814 ND2 ASN A 53 -8.188 -5.180 -2.551 1.00 40.50 N ATOM 0 H ASN A 53 -5.702 -4.930 -5.108 1.00 34.12 H new ATOM 0 HA ASN A 53 -5.307 -4.018 -2.323 1.00 54.34 H new ATOM 0 HB2 ASN A 53 -6.232 -6.559 -3.656 1.00 32.51 H new ATOM 0 HB3 ASN A 53 -5.306 -6.746 -2.180 1.00 32.51 H new ATOM 0 HD21 ASN A 53 -9.028 -4.915 -2.037 1.00 40.50 H new ATOM 0 HD22 ASN A 53 -8.128 -5.008 -3.555 1.00 40.50 H new ATOM 821 N TYR A 54 -2.844 -4.407 -3.869 1.00 53.14 N ATOM 822 CA TYR A 54 -1.396 -4.645 -3.883 1.00 34.21 C ATOM 823 C TYR A 54 -0.596 -3.361 -4.139 1.00 71.34 C ATOM 824 O TYR A 54 -1.115 -2.379 -4.665 1.00 15.24 O ATOM 825 CB TYR A 54 -1.033 -5.707 -4.934 1.00 24.22 C ATOM 826 CG TYR A 54 -1.222 -5.256 -6.375 1.00 54.04 C ATOM 827 CD1 TYR A 54 -0.190 -4.625 -7.067 1.00 53.43 C ATOM 828 CD2 TYR A 54 -2.423 -5.464 -7.043 1.00 4.21 C ATOM 829 CE1 TYR A 54 -0.352 -4.214 -8.375 1.00 22.11 C ATOM 830 CE2 TYR A 54 -2.591 -5.055 -8.354 1.00 71.05 C ATOM 831 CZ TYR A 54 -1.553 -4.431 -9.016 1.00 75.44 C ATOM 832 OH TYR A 54 -1.712 -4.030 -10.323 1.00 52.32 O ATOM 0 H TYR A 54 -3.168 -3.691 -4.520 1.00 53.14 H new ATOM 0 HA TYR A 54 -1.126 -5.009 -2.892 1.00 34.21 H new ATOM 0 HB2 TYR A 54 0.007 -6.001 -4.792 1.00 24.22 H new ATOM 0 HB3 TYR A 54 -1.642 -6.595 -4.761 1.00 24.22 H new ATOM 0 HD1 TYR A 54 0.754 -4.454 -6.571 1.00 53.43 H new ATOM 0 HD2 TYR A 54 -3.238 -5.953 -6.530 1.00 4.21 H new ATOM 0 HE1 TYR A 54 0.459 -3.724 -8.894 1.00 22.11 H new ATOM 0 HE2 TYR A 54 -3.531 -5.223 -8.858 1.00 71.05 H new ATOM 0 HH TYR A 54 -2.615 -4.257 -10.627 1.00 52.32 H new ATOM 842 N ALA A 55 0.680 -3.395 -3.761 1.00 41.04 N ATOM 843 CA ALA A 55 1.611 -2.286 -4.002 1.00 11.13 C ATOM 844 C ALA A 55 2.947 -2.799 -4.565 1.00 14.11 C ATOM 845 O ALA A 55 3.388 -3.899 -4.227 1.00 52.35 O ATOM 846 CB ALA A 55 1.851 -1.510 -2.710 1.00 21.54 C ATOM 0 H ALA A 55 1.101 -4.189 -3.279 1.00 41.04 H new ATOM 0 HA ALA A 55 1.162 -1.621 -4.740 1.00 11.13 H new ATOM 0 HB1 ALA A 55 2.543 -0.690 -2.901 1.00 21.54 H new ATOM 0 HB2 ALA A 55 0.905 -1.109 -2.345 1.00 21.54 H new ATOM 0 HB3 ALA A 55 2.276 -2.176 -1.959 1.00 21.54 H new ATOM 852 N GLU A 56 3.578 -2.009 -5.433 1.00 71.13 N ATOM 853 CA GLU A 56 4.890 -2.361 -5.992 1.00 75.22 C ATOM 854 C GLU A 56 6.032 -1.685 -5.218 1.00 53.03 C ATOM 855 O GLU A 56 6.133 -0.456 -5.193 1.00 1.12 O ATOM 856 CB GLU A 56 4.978 -1.973 -7.475 1.00 71.23 C ATOM 857 CG GLU A 56 3.992 -2.710 -8.379 1.00 3.32 C ATOM 858 CD GLU A 56 4.382 -2.637 -9.851 1.00 50.34 C ATOM 859 OE1 GLU A 56 4.346 -1.533 -10.431 1.00 51.33 O ATOM 860 OE2 GLU A 56 4.751 -3.686 -10.428 1.00 30.20 O ATOM 0 H GLU A 56 3.205 -1.120 -5.767 1.00 71.13 H new ATOM 0 HA GLU A 56 4.997 -3.442 -5.898 1.00 75.22 H new ATOM 0 HB2 GLU A 56 4.806 -0.901 -7.568 1.00 71.23 H new ATOM 0 HB3 GLU A 56 5.991 -2.166 -7.829 1.00 71.23 H new ATOM 0 HG2 GLU A 56 3.935 -3.755 -8.073 1.00 3.32 H new ATOM 0 HG3 GLU A 56 2.997 -2.285 -8.249 1.00 3.32 H new ATOM 867 N ILE A 57 6.888 -2.494 -4.593 1.00 3.14 N ATOM 868 CA ILE A 57 8.032 -1.982 -3.823 1.00 64.34 C ATOM 869 C ILE A 57 9.367 -2.303 -4.525 1.00 12.23 C ATOM 870 O ILE A 57 9.497 -3.332 -5.196 1.00 0.21 O ATOM 871 CB ILE A 57 8.065 -2.576 -2.380 1.00 31.23 C ATOM 872 CG1 ILE A 57 6.744 -2.307 -1.626 1.00 0.01 C ATOM 873 CG2 ILE A 57 9.246 -2.015 -1.589 1.00 71.40 C ATOM 874 CD1 ILE A 57 5.615 -3.254 -1.983 1.00 33.43 C ATOM 0 H ILE A 57 6.814 -3.511 -4.603 1.00 3.14 H new ATOM 0 HA ILE A 57 7.906 -0.901 -3.760 1.00 64.34 H new ATOM 0 HB ILE A 57 8.186 -3.655 -2.475 1.00 31.23 H new ATOM 0 HG12 ILE A 57 6.932 -2.373 -0.554 1.00 0.01 H new ATOM 0 HG13 ILE A 57 6.424 -1.286 -1.832 1.00 0.01 H new ATOM 0 HG21 ILE A 57 9.249 -2.443 -0.587 1.00 71.40 H new ATOM 0 HG22 ILE A 57 10.177 -2.270 -2.095 1.00 71.40 H new ATOM 0 HG23 ILE A 57 9.156 -0.931 -1.520 1.00 71.40 H new ATOM 0 HD11 ILE A 57 4.726 -2.994 -1.408 1.00 33.43 H new ATOM 0 HD12 ILE A 57 5.395 -3.173 -3.048 1.00 33.43 H new ATOM 0 HD13 ILE A 57 5.911 -4.277 -1.750 1.00 33.43 H new ATOM 886 N ASN A 58 10.349 -1.408 -4.381 1.00 21.31 N ATOM 887 CA ASN A 58 11.700 -1.639 -4.911 1.00 42.14 C ATOM 888 C ASN A 58 12.365 -2.839 -4.212 1.00 40.00 C ATOM 889 O ASN A 58 12.152 -3.067 -3.024 1.00 1.22 O ATOM 890 CB ASN A 58 12.557 -0.381 -4.722 1.00 34.32 C ATOM 891 CG ASN A 58 13.969 -0.540 -5.259 1.00 71.14 C ATOM 892 OD1 ASN A 58 14.860 -1.025 -4.570 1.00 11.41 O ATOM 893 ND2 ASN A 58 14.189 -0.131 -6.491 1.00 62.42 N ATOM 0 H ASN A 58 10.235 -0.515 -3.901 1.00 21.31 H new ATOM 0 HA ASN A 58 11.619 -1.864 -5.975 1.00 42.14 H new ATOM 0 HB2 ASN A 58 12.076 0.459 -5.223 1.00 34.32 H new ATOM 0 HB3 ASN A 58 12.603 -0.135 -3.661 1.00 34.32 H new ATOM 0 HD21 ASN A 58 15.121 -0.213 -6.897 1.00 62.42 H new ATOM 0 HD22 ASN A 58 13.427 0.268 -7.039 1.00 62.42 H new ATOM 900 N GLU A 59 13.179 -3.592 -4.951 1.00 10.43 N ATOM 901 CA GLU A 59 13.812 -4.809 -4.417 1.00 35.35 C ATOM 902 C GLU A 59 14.684 -4.533 -3.177 1.00 65.52 C ATOM 903 O GLU A 59 14.675 -5.309 -2.219 1.00 20.42 O ATOM 904 CB GLU A 59 14.647 -5.493 -5.503 1.00 72.31 C ATOM 905 CG GLU A 59 15.346 -6.757 -5.026 1.00 44.03 C ATOM 906 CD GLU A 59 15.978 -7.537 -6.163 1.00 42.33 C ATOM 907 OE1 GLU A 59 15.243 -8.253 -6.874 1.00 40.43 O ATOM 908 OE2 GLU A 59 17.206 -7.427 -6.362 1.00 14.53 O ATOM 0 H GLU A 59 13.419 -3.385 -5.921 1.00 10.43 H new ATOM 0 HA GLU A 59 13.006 -5.471 -4.101 1.00 35.35 H new ATOM 0 HB2 GLU A 59 14.001 -5.741 -6.345 1.00 72.31 H new ATOM 0 HB3 GLU A 59 15.395 -4.791 -5.871 1.00 72.31 H new ATOM 0 HG2 GLU A 59 16.115 -6.491 -4.301 1.00 44.03 H new ATOM 0 HG3 GLU A 59 14.627 -7.393 -4.509 1.00 44.03 H new ATOM 915 N GLU A 60 15.433 -3.437 -3.195 1.00 43.53 N ATOM 916 CA GLU A 60 16.286 -3.073 -2.059 1.00 42.01 C ATOM 917 C GLU A 60 15.469 -2.846 -0.776 1.00 22.35 C ATOM 918 O GLU A 60 15.784 -3.419 0.272 1.00 14.50 O ATOM 919 CB GLU A 60 17.111 -1.826 -2.389 1.00 55.12 C ATOM 920 CG GLU A 60 18.144 -2.054 -3.485 1.00 14.03 C ATOM 921 CD GLU A 60 19.139 -3.153 -3.134 1.00 35.10 C ATOM 922 OE1 GLU A 60 19.873 -3.005 -2.134 1.00 71.34 O ATOM 923 OE2 GLU A 60 19.183 -4.176 -3.849 1.00 72.02 O ATOM 0 H GLU A 60 15.471 -2.784 -3.978 1.00 43.53 H new ATOM 0 HA GLU A 60 16.959 -3.910 -1.876 1.00 42.01 H new ATOM 0 HB2 GLU A 60 16.438 -1.025 -2.696 1.00 55.12 H new ATOM 0 HB3 GLU A 60 17.619 -1.487 -1.486 1.00 55.12 H new ATOM 0 HG2 GLU A 60 17.633 -2.314 -4.412 1.00 14.03 H new ATOM 0 HG3 GLU A 60 18.684 -1.125 -3.669 1.00 14.03 H new ATOM 930 N ASP A 61 14.428 -2.017 -0.861 1.00 30.33 N ATOM 931 CA ASP A 61 13.537 -1.775 0.284 1.00 20.31 C ATOM 932 C ASP A 61 12.774 -3.057 0.651 1.00 63.00 C ATOM 933 O ASP A 61 12.531 -3.347 1.822 1.00 74.00 O ATOM 934 CB ASP A 61 12.552 -0.650 -0.045 1.00 24.23 C ATOM 935 CG ASP A 61 13.256 0.596 -0.550 1.00 35.33 C ATOM 936 OD1 ASP A 61 14.006 1.222 0.230 1.00 23.33 O ATOM 937 OD2 ASP A 61 13.083 0.938 -1.736 1.00 52.31 O ATOM 0 H ASP A 61 14.178 -1.502 -1.705 1.00 30.33 H new ATOM 0 HA ASP A 61 14.143 -1.476 1.139 1.00 20.31 H new ATOM 0 HB2 ASP A 61 11.845 -0.997 -0.799 1.00 24.23 H new ATOM 0 HB3 ASP A 61 11.974 -0.403 0.845 1.00 24.23 H new ATOM 942 N TRP A 62 12.421 -3.822 -0.378 1.00 30.00 N ATOM 943 CA TRP A 62 11.773 -5.126 -0.220 1.00 65.32 C ATOM 944 C TRP A 62 12.574 -6.037 0.723 1.00 54.55 C ATOM 945 O TRP A 62 12.046 -6.567 1.704 1.00 40.11 O ATOM 946 CB TRP A 62 11.644 -5.785 -1.603 1.00 50.42 C ATOM 947 CG TRP A 62 11.026 -7.148 -1.588 1.00 45.50 C ATOM 948 CD1 TRP A 62 11.651 -8.339 -1.349 1.00 14.33 C ATOM 949 CD2 TRP A 62 9.659 -7.457 -1.843 1.00 62.11 C ATOM 950 NE1 TRP A 62 10.749 -9.366 -1.423 1.00 31.44 N ATOM 951 CE2 TRP A 62 9.518 -8.851 -1.733 1.00 51.33 C ATOM 952 CE3 TRP A 62 8.539 -6.686 -2.153 1.00 4.13 C ATOM 953 CZ2 TRP A 62 8.300 -9.487 -1.918 1.00 32.02 C ATOM 954 CZ3 TRP A 62 7.330 -7.320 -2.337 1.00 45.10 C ATOM 955 CH2 TRP A 62 7.216 -8.710 -2.219 1.00 65.54 C ATOM 0 H TRP A 62 12.576 -3.556 -1.350 1.00 30.00 H new ATOM 0 HA TRP A 62 10.787 -4.979 0.221 1.00 65.32 H new ATOM 0 HB2 TRP A 62 11.048 -5.137 -2.246 1.00 50.42 H new ATOM 0 HB3 TRP A 62 12.635 -5.855 -2.052 1.00 50.42 H new ATOM 0 HD1 TRP A 62 12.703 -8.454 -1.133 1.00 14.33 H new ATOM 0 HE1 TRP A 62 10.959 -10.353 -1.272 1.00 31.44 H new ATOM 0 HE3 TRP A 62 8.618 -5.613 -2.247 1.00 4.13 H new ATOM 0 HZ2 TRP A 62 8.211 -10.559 -1.827 1.00 32.02 H new ATOM 0 HZ3 TRP A 62 6.455 -6.734 -2.576 1.00 45.10 H new ATOM 0 HH2 TRP A 62 6.254 -9.177 -2.368 1.00 65.54 H new ATOM 966 N ASN A 63 13.855 -6.211 0.416 1.00 41.45 N ATOM 967 CA ASN A 63 14.745 -7.037 1.233 1.00 12.34 C ATOM 968 C ASN A 63 15.049 -6.367 2.585 1.00 51.15 C ATOM 969 O ASN A 63 15.271 -7.046 3.586 1.00 14.32 O ATOM 970 CB ASN A 63 16.038 -7.321 0.461 1.00 71.43 C ATOM 971 CG ASN A 63 15.774 -8.087 -0.825 1.00 32.54 C ATOM 972 OD1 ASN A 63 14.874 -8.921 -0.896 1.00 70.33 O ATOM 973 ND2 ASN A 63 16.538 -7.800 -1.857 1.00 60.40 N ATOM 0 H ASN A 63 14.305 -5.790 -0.397 1.00 41.45 H new ATOM 0 HA ASN A 63 14.243 -7.981 1.446 1.00 12.34 H new ATOM 0 HB2 ASN A 63 16.535 -6.380 0.227 1.00 71.43 H new ATOM 0 HB3 ASN A 63 16.719 -7.893 1.091 1.00 71.43 H new ATOM 0 HD21 ASN A 63 16.391 -8.275 -2.748 1.00 60.40 H new ATOM 0 HD22 ASN A 63 17.277 -7.103 -1.766 1.00 60.40 H new ATOM 980 N ALA A 64 15.039 -5.033 2.606 1.00 62.10 N ATOM 981 CA ALA A 64 15.255 -4.270 3.843 1.00 63.11 C ATOM 982 C ALA A 64 14.133 -4.520 4.867 1.00 54.11 C ATOM 983 O ALA A 64 14.373 -4.542 6.076 1.00 75.25 O ATOM 984 CB ALA A 64 15.358 -2.782 3.528 1.00 4.50 C ATOM 0 H ALA A 64 14.884 -4.455 1.780 1.00 62.10 H new ATOM 0 HA ALA A 64 16.190 -4.611 4.287 1.00 63.11 H new ATOM 0 HB1 ALA A 64 15.518 -2.225 4.451 1.00 4.50 H new ATOM 0 HB2 ALA A 64 16.195 -2.610 2.851 1.00 4.50 H new ATOM 0 HB3 ALA A 64 14.435 -2.445 3.056 1.00 4.50 H new ATOM 990 N LEU A 65 12.908 -4.697 4.372 1.00 52.12 N ATOM 991 CA LEU A 65 11.752 -4.989 5.230 1.00 62.20 C ATOM 992 C LEU A 65 11.562 -6.502 5.433 1.00 25.22 C ATOM 993 O LEU A 65 10.625 -6.933 6.109 1.00 54.21 O ATOM 994 CB LEU A 65 10.481 -4.383 4.611 1.00 30.13 C ATOM 995 CG LEU A 65 10.507 -2.856 4.421 1.00 45.35 C ATOM 996 CD1 LEU A 65 9.272 -2.380 3.662 1.00 25.42 C ATOM 997 CD2 LEU A 65 10.617 -2.143 5.767 1.00 55.04 C ATOM 0 H LEU A 65 12.687 -4.644 3.378 1.00 52.12 H new ATOM 0 HA LEU A 65 11.938 -4.542 6.207 1.00 62.20 H new ATOM 0 HB2 LEU A 65 10.310 -4.851 3.641 1.00 30.13 H new ATOM 0 HB3 LEU A 65 9.631 -4.640 5.243 1.00 30.13 H new ATOM 0 HG LEU A 65 11.388 -2.607 3.829 1.00 45.35 H new ATOM 0 HD11 LEU A 65 9.314 -1.298 3.541 1.00 25.42 H new ATOM 0 HD12 LEU A 65 9.243 -2.854 2.681 1.00 25.42 H new ATOM 0 HD13 LEU A 65 8.376 -2.648 4.221 1.00 25.42 H new ATOM 0 HD21 LEU A 65 10.634 -1.065 5.607 1.00 55.04 H new ATOM 0 HD22 LEU A 65 9.761 -2.405 6.388 1.00 55.04 H new ATOM 0 HD23 LEU A 65 11.535 -2.450 6.267 1.00 55.04 H new ATOM 1009 N GLY A 66 12.456 -7.300 4.847 1.00 12.01 N ATOM 1010 CA GLY A 66 12.341 -8.756 4.919 1.00 72.02 C ATOM 1011 C GLY A 66 11.031 -9.273 4.335 1.00 71.35 C ATOM 1012 O GLY A 66 10.417 -10.196 4.875 1.00 15.51 O ATOM 0 H GLY A 66 13.263 -6.965 4.321 1.00 12.01 H new ATOM 0 HA2 GLY A 66 13.176 -9.209 4.385 1.00 72.02 H new ATOM 0 HA3 GLY A 66 12.420 -9.071 5.959 1.00 72.02 H new ATOM 1016 N LEU A 67 10.619 -8.678 3.222 1.00 44.31 N ATOM 1017 CA LEU A 67 9.341 -8.993 2.581 1.00 1.43 C ATOM 1018 C LEU A 67 9.364 -10.322 1.813 1.00 62.23 C ATOM 1019 O LEU A 67 10.362 -10.685 1.183 1.00 31.33 O ATOM 1020 CB LEU A 67 8.959 -7.854 1.626 1.00 50.25 C ATOM 1021 CG LEU A 67 8.351 -6.618 2.299 1.00 51.14 C ATOM 1022 CD1 LEU A 67 8.493 -5.387 1.411 1.00 71.44 C ATOM 1023 CD2 LEU A 67 6.886 -6.866 2.612 1.00 55.42 C ATOM 0 H LEU A 67 11.159 -7.963 2.735 1.00 44.31 H new ATOM 0 HA LEU A 67 8.601 -9.099 3.374 1.00 1.43 H new ATOM 0 HB2 LEU A 67 9.849 -7.548 1.076 1.00 50.25 H new ATOM 0 HB3 LEU A 67 8.248 -8.237 0.894 1.00 50.25 H new ATOM 0 HG LEU A 67 8.892 -6.433 3.227 1.00 51.14 H new ATOM 0 HD11 LEU A 67 8.054 -4.524 1.912 1.00 71.44 H new ATOM 0 HD12 LEU A 67 9.549 -5.196 1.219 1.00 71.44 H new ATOM 0 HD13 LEU A 67 7.978 -5.559 0.466 1.00 71.44 H new ATOM 0 HD21 LEU A 67 6.462 -5.983 3.090 1.00 55.42 H new ATOM 0 HD22 LEU A 67 6.346 -7.073 1.688 1.00 55.42 H new ATOM 0 HD23 LEU A 67 6.797 -7.720 3.283 1.00 55.42 H new ATOM 1035 N GLN A 68 8.252 -11.043 1.894 1.00 24.53 N ATOM 1036 CA GLN A 68 8.013 -12.215 1.053 1.00 34.21 C ATOM 1037 C GLN A 68 6.969 -11.876 -0.022 1.00 61.41 C ATOM 1038 O GLN A 68 6.080 -11.059 0.206 1.00 24.44 O ATOM 1039 CB GLN A 68 7.533 -13.389 1.918 1.00 43.42 C ATOM 1040 CG GLN A 68 7.250 -14.666 1.134 1.00 0.23 C ATOM 1041 CD GLN A 68 6.855 -15.828 2.033 1.00 42.02 C ATOM 1042 OE1 GLN A 68 7.700 -16.591 2.491 1.00 62.20 O ATOM 1043 NE2 GLN A 68 5.571 -15.973 2.290 1.00 72.12 N ATOM 0 H GLN A 68 7.492 -10.835 2.541 1.00 24.53 H new ATOM 0 HA GLN A 68 8.942 -12.504 0.561 1.00 34.21 H new ATOM 0 HB2 GLN A 68 8.288 -13.600 2.676 1.00 43.42 H new ATOM 0 HB3 GLN A 68 6.627 -13.091 2.445 1.00 43.42 H new ATOM 0 HG2 GLN A 68 6.451 -14.478 0.417 1.00 0.23 H new ATOM 0 HG3 GLN A 68 8.135 -14.940 0.560 1.00 0.23 H new ATOM 0 HE21 GLN A 68 4.895 -15.321 1.893 1.00 72.12 H new ATOM 0 HE22 GLN A 68 5.253 -16.737 2.886 1.00 72.12 H new ATOM 1052 N GLU A 69 7.086 -12.471 -1.202 1.00 1.03 N ATOM 1053 CA GLU A 69 6.129 -12.208 -2.283 1.00 24.14 C ATOM 1054 C GLU A 69 4.718 -12.674 -1.906 1.00 12.04 C ATOM 1055 O GLU A 69 4.403 -13.865 -1.939 1.00 0.21 O ATOM 1056 CB GLU A 69 6.619 -12.851 -3.581 1.00 10.22 C ATOM 1057 CG GLU A 69 7.878 -12.176 -4.116 1.00 40.55 C ATOM 1058 CD GLU A 69 8.581 -12.979 -5.189 1.00 61.45 C ATOM 1059 OE1 GLU A 69 9.396 -13.855 -4.834 1.00 13.32 O ATOM 1060 OE2 GLU A 69 8.334 -12.735 -6.389 1.00 32.11 O ATOM 0 H GLU A 69 7.824 -13.133 -1.439 1.00 1.03 H new ATOM 0 HA GLU A 69 6.067 -11.131 -2.442 1.00 24.14 H new ATOM 0 HB2 GLU A 69 6.821 -13.908 -3.408 1.00 10.22 H new ATOM 0 HB3 GLU A 69 5.831 -12.796 -4.332 1.00 10.22 H new ATOM 0 HG2 GLU A 69 7.614 -11.198 -4.519 1.00 40.55 H new ATOM 0 HG3 GLU A 69 8.568 -12.005 -3.290 1.00 40.55 H new ATOM 1067 N GLY A 70 3.879 -11.708 -1.544 1.00 13.05 N ATOM 1068 CA GLY A 70 2.555 -12.004 -1.001 1.00 44.44 C ATOM 1069 C GLY A 70 2.416 -11.596 0.467 1.00 10.12 C ATOM 1070 O GLY A 70 1.396 -11.866 1.102 1.00 21.14 O ATOM 0 H GLY A 70 4.091 -10.713 -1.616 1.00 13.05 H new ATOM 0 HA2 GLY A 70 1.800 -11.485 -1.591 1.00 44.44 H new ATOM 0 HA3 GLY A 70 2.357 -13.072 -1.098 1.00 44.44 H new ATOM 1074 N ASP A 71 3.452 -10.949 1.006 1.00 74.24 N ATOM 1075 CA ASP A 71 3.457 -10.471 2.398 1.00 73.23 C ATOM 1076 C ASP A 71 2.508 -9.265 2.568 1.00 34.31 C ATOM 1077 O ASP A 71 1.981 -8.734 1.586 1.00 21.14 O ATOM 1078 CB ASP A 71 4.893 -10.073 2.792 1.00 2.33 C ATOM 1079 CG ASP A 71 5.251 -10.419 4.230 1.00 4.53 C ATOM 1080 OD1 ASP A 71 4.541 -9.975 5.155 1.00 21.11 O ATOM 1081 OD2 ASP A 71 6.261 -11.127 4.437 1.00 54.14 O ATOM 0 H ASP A 71 4.310 -10.740 0.495 1.00 74.24 H new ATOM 0 HA ASP A 71 3.105 -11.272 3.048 1.00 73.23 H new ATOM 0 HB2 ASP A 71 5.595 -10.570 2.122 1.00 2.33 H new ATOM 0 HB3 ASP A 71 5.017 -9.000 2.644 1.00 2.33 H new ATOM 1086 N ARG A 72 2.304 -8.824 3.808 1.00 21.42 N ATOM 1087 CA ARG A 72 1.429 -7.675 4.076 1.00 11.43 C ATOM 1088 C ARG A 72 2.236 -6.422 4.452 1.00 23.50 C ATOM 1089 O ARG A 72 3.031 -6.431 5.397 1.00 63.42 O ATOM 1090 CB ARG A 72 0.413 -7.990 5.188 1.00 72.55 C ATOM 1091 CG ARG A 72 -0.583 -9.092 4.824 1.00 0.42 C ATOM 1092 CD ARG A 72 -0.139 -10.463 5.319 1.00 43.14 C ATOM 1093 NE ARG A 72 -0.279 -10.592 6.771 1.00 43.03 N ATOM 1094 CZ ARG A 72 -0.407 -11.730 7.401 1.00 54.01 C ATOM 1095 NH1 ARG A 72 -0.379 -12.849 6.746 1.00 55.11 N ATOM 1096 NH2 ARG A 72 -0.564 -11.749 8.688 1.00 74.03 N ATOM 0 H ARG A 72 2.727 -9.238 4.639 1.00 21.42 H new ATOM 0 HA ARG A 72 0.887 -7.473 3.152 1.00 11.43 H new ATOM 0 HB2 ARG A 72 0.953 -8.285 6.087 1.00 72.55 H new ATOM 0 HB3 ARG A 72 -0.138 -7.082 5.431 1.00 72.55 H new ATOM 0 HG2 ARG A 72 -1.557 -8.853 5.250 1.00 0.42 H new ATOM 0 HG3 ARG A 72 -0.708 -9.122 3.742 1.00 0.42 H new ATOM 0 HD2 ARG A 72 -0.731 -11.235 4.827 1.00 43.14 H new ATOM 0 HD3 ARG A 72 0.901 -10.631 5.038 1.00 43.14 H new ATOM 0 HE ARG A 72 -0.276 -9.737 7.328 1.00 43.03 H new ATOM 0 HH11 ARG A 72 -0.257 -12.844 5.733 1.00 55.11 H new ATOM 0 HH12 ARG A 72 -0.479 -13.734 7.243 1.00 55.11 H new ATOM 0 HH21 ARG A 72 -0.588 -10.874 9.212 1.00 74.03 H new ATOM 0 HH22 ARG A 72 -0.664 -12.639 9.177 1.00 74.03 H new ATOM 1110 N VAL A 73 2.014 -5.337 3.712 1.00 25.45 N ATOM 1111 CA VAL A 73 2.671 -4.056 3.987 1.00 13.33 C ATOM 1112 C VAL A 73 1.664 -2.996 4.446 1.00 34.55 C ATOM 1113 O VAL A 73 0.600 -2.824 3.845 1.00 41.43 O ATOM 1114 CB VAL A 73 3.439 -3.513 2.750 1.00 43.53 C ATOM 1115 CG1 VAL A 73 4.668 -4.362 2.456 1.00 74.13 C ATOM 1116 CG2 VAL A 73 2.526 -3.447 1.524 1.00 2.11 C ATOM 0 H VAL A 73 1.381 -5.318 2.913 1.00 25.45 H new ATOM 0 HA VAL A 73 3.385 -4.251 4.787 1.00 13.33 H new ATOM 0 HB VAL A 73 3.771 -2.501 2.982 1.00 43.53 H new ATOM 0 HG11 VAL A 73 5.188 -3.961 1.586 1.00 74.13 H new ATOM 0 HG12 VAL A 73 5.336 -4.346 3.317 1.00 74.13 H new ATOM 0 HG13 VAL A 73 4.361 -5.388 2.254 1.00 74.13 H new ATOM 0 HG21 VAL A 73 3.088 -3.064 0.672 1.00 2.11 H new ATOM 0 HG22 VAL A 73 2.153 -4.445 1.294 1.00 2.11 H new ATOM 0 HG23 VAL A 73 1.685 -2.785 1.732 1.00 2.11 H new ATOM 1126 N LYS A 74 2.000 -2.297 5.523 1.00 51.03 N ATOM 1127 CA LYS A 74 1.180 -1.196 6.013 1.00 11.34 C ATOM 1128 C LYS A 74 1.780 0.151 5.578 1.00 2.21 C ATOM 1129 O LYS A 74 2.844 0.566 6.046 1.00 20.23 O ATOM 1130 CB LYS A 74 1.029 -1.283 7.541 1.00 51.41 C ATOM 1131 CG LYS A 74 0.044 -0.270 8.127 1.00 54.30 C ATOM 1132 CD LYS A 74 -0.676 -0.814 9.363 1.00 41.41 C ATOM 1133 CE LYS A 74 0.277 -1.121 10.512 1.00 53.24 C ATOM 1134 NZ LYS A 74 0.951 0.104 11.022 1.00 11.31 N ATOM 0 H LYS A 74 2.839 -2.474 6.076 1.00 51.03 H new ATOM 0 HA LYS A 74 0.184 -1.271 5.577 1.00 11.34 H new ATOM 0 HB2 LYS A 74 0.702 -2.288 7.807 1.00 51.41 H new ATOM 0 HB3 LYS A 74 2.006 -1.133 8.002 1.00 51.41 H new ATOM 0 HG2 LYS A 74 0.578 0.643 8.392 1.00 54.30 H new ATOM 0 HG3 LYS A 74 -0.692 -0.000 7.369 1.00 54.30 H new ATOM 0 HD2 LYS A 74 -1.417 -0.087 9.696 1.00 41.41 H new ATOM 0 HD3 LYS A 74 -1.217 -1.721 9.093 1.00 41.41 H new ATOM 0 HE2 LYS A 74 -0.275 -1.595 11.324 1.00 53.24 H new ATOM 0 HE3 LYS A 74 1.029 -1.836 10.178 1.00 53.24 H new ATOM 0 HZ1 LYS A 74 0.993 0.070 12.061 1.00 11.31 H new ATOM 0 HZ2 LYS A 74 1.916 0.155 10.638 1.00 11.31 H new ATOM 0 HZ3 LYS A 74 0.415 0.944 10.724 1.00 11.31 H new ATOM 1148 N VAL A 75 1.087 0.811 4.662 1.00 71.02 N ATOM 1149 CA VAL A 75 1.549 2.065 4.063 1.00 12.33 C ATOM 1150 C VAL A 75 0.993 3.250 4.849 1.00 74.51 C ATOM 1151 O VAL A 75 -0.216 3.342 5.069 1.00 70.13 O ATOM 1152 CB VAL A 75 1.109 2.175 2.581 1.00 43.45 C ATOM 1153 CG1 VAL A 75 1.629 3.465 1.948 1.00 23.44 C ATOM 1154 CG2 VAL A 75 1.578 0.954 1.790 1.00 72.11 C ATOM 0 H VAL A 75 0.184 0.495 4.308 1.00 71.02 H new ATOM 0 HA VAL A 75 2.638 2.075 4.100 1.00 12.33 H new ATOM 0 HB VAL A 75 0.020 2.205 2.552 1.00 43.45 H new ATOM 0 HG11 VAL A 75 1.306 3.516 0.908 1.00 23.44 H new ATOM 0 HG12 VAL A 75 1.235 4.323 2.493 1.00 23.44 H new ATOM 0 HG13 VAL A 75 2.718 3.478 1.990 1.00 23.44 H new ATOM 0 HG21 VAL A 75 1.260 1.049 0.752 1.00 72.11 H new ATOM 0 HG22 VAL A 75 2.665 0.889 1.832 1.00 72.11 H new ATOM 0 HG23 VAL A 75 1.144 0.052 2.221 1.00 72.11 H new ATOM 1164 N LYS A 76 1.872 4.151 5.270 1.00 35.03 N ATOM 1165 CA LYS A 76 1.499 5.207 6.217 1.00 3.13 C ATOM 1166 C LYS A 76 2.004 6.582 5.784 1.00 61.24 C ATOM 1167 O LYS A 76 3.195 6.788 5.573 1.00 52.52 O ATOM 1168 CB LYS A 76 2.056 4.844 7.592 1.00 52.51 C ATOM 1169 CG LYS A 76 1.527 3.507 8.092 1.00 13.34 C ATOM 1170 CD LYS A 76 2.452 2.853 9.089 1.00 41.20 C ATOM 1171 CE LYS A 76 2.548 3.639 10.394 1.00 2.43 C ATOM 1172 NZ LYS A 76 3.418 2.959 11.393 1.00 62.12 N ATOM 0 H LYS A 76 2.848 4.176 4.974 1.00 35.03 H new ATOM 0 HA LYS A 76 0.411 5.273 6.250 1.00 3.13 H new ATOM 0 HB2 LYS A 76 3.144 4.807 7.543 1.00 52.51 H new ATOM 0 HB3 LYS A 76 1.796 5.626 8.306 1.00 52.51 H new ATOM 0 HG2 LYS A 76 0.550 3.656 8.552 1.00 13.34 H new ATOM 0 HG3 LYS A 76 1.381 2.838 7.244 1.00 13.34 H new ATOM 0 HD2 LYS A 76 2.099 1.844 9.301 1.00 41.20 H new ATOM 0 HD3 LYS A 76 3.446 2.758 8.651 1.00 41.20 H new ATOM 0 HE2 LYS A 76 2.941 4.635 10.189 1.00 2.43 H new ATOM 0 HE3 LYS A 76 1.550 3.770 10.812 1.00 2.43 H new ATOM 0 HZ1 LYS A 76 3.538 3.573 12.224 1.00 62.12 H new ATOM 0 HZ2 LYS A 76 2.977 2.063 11.685 1.00 62.12 H new ATOM 0 HZ3 LYS A 76 4.348 2.765 10.969 1.00 62.12 H new ATOM 1186 N THR A 77 1.084 7.524 5.681 1.00 51.21 N ATOM 1187 CA THR A 77 1.402 8.894 5.246 1.00 13.53 C ATOM 1188 C THR A 77 0.765 9.929 6.179 1.00 74.33 C ATOM 1189 O THR A 77 0.205 9.586 7.220 1.00 54.44 O ATOM 1190 CB THR A 77 0.889 9.184 3.813 1.00 63.34 C ATOM 1191 OG1 THR A 77 -0.544 9.269 3.819 1.00 30.14 O ATOM 1192 CG2 THR A 77 1.337 8.106 2.829 1.00 34.40 C ATOM 0 H THR A 77 0.098 7.374 5.893 1.00 51.21 H new ATOM 0 HA THR A 77 2.489 8.971 5.269 1.00 13.53 H new ATOM 0 HB THR A 77 1.315 10.134 3.489 1.00 63.34 H new ATOM 0 HG1 THR A 77 -0.866 9.432 2.908 1.00 30.14 H new ATOM 0 HG21 THR A 77 0.959 8.342 1.834 1.00 34.40 H new ATOM 0 HG22 THR A 77 2.426 8.066 2.804 1.00 34.40 H new ATOM 0 HG23 THR A 77 0.946 7.139 3.146 1.00 34.40 H new ATOM 1200 N GLU A 78 0.840 11.198 5.789 1.00 30.22 N ATOM 1201 CA GLU A 78 0.209 12.284 6.548 1.00 34.24 C ATOM 1202 C GLU A 78 -1.319 12.323 6.320 1.00 73.12 C ATOM 1203 O GLU A 78 -2.021 13.152 6.901 1.00 34.05 O ATOM 1204 CB GLU A 78 0.858 13.624 6.164 1.00 12.00 C ATOM 1205 CG GLU A 78 0.837 13.919 4.666 1.00 50.44 C ATOM 1206 CD GLU A 78 1.723 15.100 4.286 1.00 23.21 C ATOM 1207 OE1 GLU A 78 1.276 16.259 4.421 1.00 71.21 O ATOM 1208 OE2 GLU A 78 2.876 14.875 3.865 1.00 34.00 O ATOM 0 H GLU A 78 1.332 11.505 4.950 1.00 30.22 H new ATOM 0 HA GLU A 78 0.368 12.102 7.611 1.00 34.24 H new ATOM 0 HB2 GLU A 78 0.343 14.429 6.689 1.00 12.00 H new ATOM 0 HB3 GLU A 78 1.892 13.627 6.510 1.00 12.00 H new ATOM 0 HG2 GLU A 78 1.165 13.034 4.121 1.00 50.44 H new ATOM 0 HG3 GLU A 78 -0.187 14.124 4.355 1.00 50.44 H new ATOM 1215 N PHE A 79 -1.827 11.415 5.480 1.00 2.03 N ATOM 1216 CA PHE A 79 -3.269 11.320 5.203 1.00 64.41 C ATOM 1217 C PHE A 79 -3.922 10.148 5.962 1.00 44.54 C ATOM 1218 O PHE A 79 -5.075 10.241 6.387 1.00 23.33 O ATOM 1219 CB PHE A 79 -3.516 11.166 3.695 1.00 42.32 C ATOM 1220 CG PHE A 79 -3.053 12.349 2.880 1.00 74.25 C ATOM 1221 CD1 PHE A 79 -1.727 12.463 2.487 1.00 74.13 C ATOM 1222 CD2 PHE A 79 -3.944 13.345 2.504 1.00 60.53 C ATOM 1223 CE1 PHE A 79 -1.302 13.543 1.737 1.00 65.30 C ATOM 1224 CE2 PHE A 79 -3.520 14.427 1.756 1.00 12.43 C ATOM 1225 CZ PHE A 79 -2.199 14.525 1.372 1.00 10.43 C ATOM 0 H PHE A 79 -1.261 10.732 4.977 1.00 2.03 H new ATOM 0 HA PHE A 79 -3.728 12.244 5.553 1.00 64.41 H new ATOM 0 HB2 PHE A 79 -3.005 10.270 3.342 1.00 42.32 H new ATOM 0 HB3 PHE A 79 -4.582 11.013 3.524 1.00 42.32 H new ATOM 0 HD1 PHE A 79 -1.019 11.699 2.771 1.00 74.13 H new ATOM 0 HD2 PHE A 79 -4.980 13.273 2.799 1.00 60.53 H new ATOM 0 HE1 PHE A 79 -0.267 13.618 1.437 1.00 65.30 H new ATOM 0 HE2 PHE A 79 -4.223 15.196 1.472 1.00 12.43 H new ATOM 0 HZ PHE A 79 -1.867 15.370 0.786 1.00 10.43 H new ATOM 1235 N GLY A 80 -3.182 9.049 6.126 1.00 71.43 N ATOM 1236 CA GLY A 80 -3.700 7.872 6.823 1.00 70.41 C ATOM 1237 C GLY A 80 -2.813 6.646 6.625 1.00 12.42 C ATOM 1238 O GLY A 80 -1.681 6.769 6.154 1.00 22.14 O ATOM 0 H GLY A 80 -2.225 8.951 5.786 1.00 71.43 H new ATOM 0 HA2 GLY A 80 -3.783 8.090 7.888 1.00 70.41 H new ATOM 0 HA3 GLY A 80 -4.705 7.653 6.463 1.00 70.41 H new ATOM 1242 N GLU A 81 -3.313 5.461 6.987 1.00 10.04 N ATOM 1243 CA GLU A 81 -2.549 4.216 6.795 1.00 53.05 C ATOM 1244 C GLU A 81 -3.447 3.027 6.402 1.00 14.11 C ATOM 1245 O GLU A 81 -4.578 2.894 6.876 1.00 31.12 O ATOM 1246 CB GLU A 81 -1.723 3.881 8.049 1.00 31.31 C ATOM 1247 CG GLU A 81 -2.523 3.580 9.314 1.00 44.12 C ATOM 1248 CD GLU A 81 -1.618 3.232 10.497 1.00 4.12 C ATOM 1249 OE1 GLU A 81 -0.873 2.227 10.411 1.00 3.43 O ATOM 1250 OE2 GLU A 81 -1.641 3.952 11.519 1.00 44.33 O ATOM 0 H GLU A 81 -4.232 5.333 7.410 1.00 10.04 H new ATOM 0 HA GLU A 81 -1.868 4.390 5.962 1.00 53.05 H new ATOM 0 HB2 GLU A 81 -1.094 3.019 7.826 1.00 31.31 H new ATOM 0 HB3 GLU A 81 -1.056 4.718 8.255 1.00 31.31 H new ATOM 0 HG2 GLU A 81 -3.136 4.444 9.569 1.00 44.12 H new ATOM 0 HG3 GLU A 81 -3.204 2.751 9.123 1.00 44.12 H new ATOM 1257 N VAL A 82 -2.917 2.154 5.536 1.00 51.14 N ATOM 1258 CA VAL A 82 -3.676 1.008 5.002 1.00 24.43 C ATOM 1259 C VAL A 82 -2.776 -0.237 4.825 1.00 61.52 C ATOM 1260 O VAL A 82 -1.572 -0.113 4.593 1.00 72.12 O ATOM 1261 CB VAL A 82 -4.319 1.381 3.637 1.00 23.23 C ATOM 1262 CG1 VAL A 82 -3.245 1.675 2.590 1.00 24.23 C ATOM 1263 CG2 VAL A 82 -5.274 0.291 3.147 1.00 43.41 C ATOM 0 H VAL A 82 -1.961 2.217 5.187 1.00 51.14 H new ATOM 0 HA VAL A 82 -4.457 0.766 5.723 1.00 24.43 H new ATOM 0 HB VAL A 82 -4.906 2.287 3.789 1.00 23.23 H new ATOM 0 HG11 VAL A 82 -3.720 1.933 1.644 1.00 24.23 H new ATOM 0 HG12 VAL A 82 -2.628 2.509 2.926 1.00 24.23 H new ATOM 0 HG13 VAL A 82 -2.619 0.793 2.453 1.00 24.23 H new ATOM 0 HG21 VAL A 82 -5.704 0.587 2.190 1.00 43.41 H new ATOM 0 HG22 VAL A 82 -4.727 -0.644 3.025 1.00 43.41 H new ATOM 0 HG23 VAL A 82 -6.072 0.152 3.876 1.00 43.41 H new ATOM 1273 N VAL A 83 -3.361 -1.434 4.947 1.00 22.13 N ATOM 1274 CA VAL A 83 -2.606 -2.694 4.779 1.00 1.33 C ATOM 1275 C VAL A 83 -2.961 -3.389 3.450 1.00 32.04 C ATOM 1276 O VAL A 83 -4.120 -3.748 3.222 1.00 73.24 O ATOM 1277 CB VAL A 83 -2.880 -3.691 5.938 1.00 50.42 C ATOM 1278 CG1 VAL A 83 -1.950 -4.903 5.847 1.00 11.10 C ATOM 1279 CG2 VAL A 83 -2.744 -3.015 7.298 1.00 5.13 C ATOM 0 H VAL A 83 -4.350 -1.563 5.160 1.00 22.13 H new ATOM 0 HA VAL A 83 -1.552 -2.417 4.782 1.00 1.33 H new ATOM 0 HB VAL A 83 -3.909 -4.037 5.836 1.00 50.42 H new ATOM 0 HG11 VAL A 83 -2.161 -5.586 6.669 1.00 11.10 H new ATOM 0 HG12 VAL A 83 -2.112 -5.415 4.899 1.00 11.10 H new ATOM 0 HG13 VAL A 83 -0.913 -4.572 5.908 1.00 11.10 H new ATOM 0 HG21 VAL A 83 -2.942 -3.741 8.087 1.00 5.13 H new ATOM 0 HG22 VAL A 83 -1.733 -2.624 7.410 1.00 5.13 H new ATOM 0 HG23 VAL A 83 -3.460 -2.196 7.370 1.00 5.13 H new ATOM 1289 N VAL A 84 -1.957 -3.590 2.588 1.00 32.41 N ATOM 1290 CA VAL A 84 -2.156 -4.235 1.273 1.00 75.04 C ATOM 1291 C VAL A 84 -1.133 -5.365 1.023 1.00 42.11 C ATOM 1292 O VAL A 84 -0.203 -5.561 1.808 1.00 63.23 O ATOM 1293 CB VAL A 84 -2.051 -3.204 0.116 1.00 61.11 C ATOM 1294 CG1 VAL A 84 -3.130 -2.130 0.239 1.00 4.15 C ATOM 1295 CG2 VAL A 84 -0.658 -2.572 0.068 1.00 1.42 C ATOM 0 H VAL A 84 -0.992 -3.316 2.774 1.00 32.41 H new ATOM 0 HA VAL A 84 -3.159 -4.662 1.293 1.00 75.04 H new ATOM 0 HB VAL A 84 -2.212 -3.738 -0.821 1.00 61.11 H new ATOM 0 HG11 VAL A 84 -3.033 -1.421 -0.584 1.00 4.15 H new ATOM 0 HG12 VAL A 84 -4.114 -2.597 0.202 1.00 4.15 H new ATOM 0 HG13 VAL A 84 -3.014 -1.604 1.187 1.00 4.15 H new ATOM 0 HG21 VAL A 84 -0.612 -1.854 -0.751 1.00 1.42 H new ATOM 0 HG22 VAL A 84 -0.458 -2.061 1.010 1.00 1.42 H new ATOM 0 HG23 VAL A 84 0.089 -3.350 -0.089 1.00 1.42 H new ATOM 1305 N PHE A 85 -1.313 -6.106 -0.075 1.00 14.01 N ATOM 1306 CA PHE A 85 -0.368 -7.168 -0.464 1.00 34.33 C ATOM 1307 C PHE A 85 0.892 -6.582 -1.127 1.00 1.31 C ATOM 1308 O PHE A 85 0.814 -5.639 -1.920 1.00 31.32 O ATOM 1309 CB PHE A 85 -1.033 -8.172 -1.422 1.00 73.04 C ATOM 1310 CG PHE A 85 -2.133 -9.000 -0.797 1.00 64.12 C ATOM 1311 CD1 PHE A 85 -1.826 -10.088 0.013 1.00 41.52 C ATOM 1312 CD2 PHE A 85 -3.470 -8.703 -1.028 1.00 45.51 C ATOM 1313 CE1 PHE A 85 -2.829 -10.854 0.575 1.00 21.33 C ATOM 1314 CE2 PHE A 85 -4.474 -9.466 -0.464 1.00 60.40 C ATOM 1315 CZ PHE A 85 -4.154 -10.542 0.338 1.00 62.05 C ATOM 0 H PHE A 85 -2.102 -5.993 -0.712 1.00 14.01 H new ATOM 0 HA PHE A 85 -0.073 -7.687 0.448 1.00 34.33 H new ATOM 0 HB2 PHE A 85 -1.444 -7.627 -2.272 1.00 73.04 H new ATOM 0 HB3 PHE A 85 -0.268 -8.843 -1.813 1.00 73.04 H new ATOM 0 HD1 PHE A 85 -0.793 -10.337 0.205 1.00 41.52 H new ATOM 0 HD2 PHE A 85 -3.728 -7.864 -1.657 1.00 45.51 H new ATOM 0 HE1 PHE A 85 -2.577 -11.698 1.200 1.00 21.33 H new ATOM 0 HE2 PHE A 85 -5.509 -9.220 -0.651 1.00 60.40 H new ATOM 0 HZ PHE A 85 -4.938 -11.139 0.780 1.00 62.05 H new ATOM 1325 N ALA A 86 2.050 -7.156 -0.809 1.00 33.31 N ATOM 1326 CA ALA A 86 3.331 -6.666 -1.334 1.00 13.31 C ATOM 1327 C ALA A 86 3.769 -7.404 -2.615 1.00 64.02 C ATOM 1328 O ALA A 86 3.851 -8.635 -2.643 1.00 40.20 O ATOM 1329 CB ALA A 86 4.409 -6.800 -0.263 1.00 21.14 C ATOM 0 H ALA A 86 2.132 -7.962 -0.190 1.00 33.31 H new ATOM 0 HA ALA A 86 3.193 -5.618 -1.600 1.00 13.31 H new ATOM 0 HB1 ALA A 86 5.359 -6.436 -0.655 1.00 21.14 H new ATOM 0 HB2 ALA A 86 4.128 -6.213 0.611 1.00 21.14 H new ATOM 0 HB3 ALA A 86 4.512 -7.847 0.021 1.00 21.14 H new ATOM 1335 N LYS A 87 4.054 -6.635 -3.671 1.00 72.44 N ATOM 1336 CA LYS A 87 4.645 -7.175 -4.906 1.00 2.22 C ATOM 1337 C LYS A 87 5.929 -6.427 -5.261 1.00 55.42 C ATOM 1338 O LYS A 87 6.053 -5.226 -5.020 1.00 1.44 O ATOM 1339 CB LYS A 87 3.669 -7.082 -6.093 1.00 40.31 C ATOM 1340 CG LYS A 87 2.363 -7.845 -5.934 1.00 71.42 C ATOM 1341 CD LYS A 87 1.579 -7.848 -7.246 1.00 61.23 C ATOM 1342 CE LYS A 87 0.186 -8.427 -7.078 1.00 50.02 C ATOM 1343 NZ LYS A 87 -0.538 -8.524 -8.377 1.00 45.51 N ATOM 0 H LYS A 87 3.885 -5.630 -3.697 1.00 72.44 H new ATOM 0 HA LYS A 87 4.868 -8.225 -4.718 1.00 2.22 H new ATOM 0 HB2 LYS A 87 3.436 -6.031 -6.267 1.00 40.31 H new ATOM 0 HB3 LYS A 87 4.176 -7.448 -6.986 1.00 40.31 H new ATOM 0 HG2 LYS A 87 2.569 -8.870 -5.625 1.00 71.42 H new ATOM 0 HG3 LYS A 87 1.763 -7.389 -5.146 1.00 71.42 H new ATOM 0 HD2 LYS A 87 1.504 -6.829 -7.625 1.00 61.23 H new ATOM 0 HD3 LYS A 87 2.124 -8.426 -7.992 1.00 61.23 H new ATOM 0 HE2 LYS A 87 0.257 -9.417 -6.627 1.00 50.02 H new ATOM 0 HE3 LYS A 87 -0.385 -7.804 -6.390 1.00 50.02 H new ATOM 0 HZ1 LYS A 87 -1.485 -8.924 -8.218 1.00 45.51 H new ATOM 0 HZ2 LYS A 87 -0.629 -7.576 -8.796 1.00 45.51 H new ATOM 0 HZ3 LYS A 87 -0.007 -9.139 -9.025 1.00 45.51 H new ATOM 1357 N LYS A 88 6.887 -7.143 -5.829 1.00 63.44 N ATOM 1358 CA LYS A 88 8.135 -6.531 -6.254 1.00 2.10 C ATOM 1359 C LYS A 88 7.955 -5.890 -7.639 1.00 3.10 C ATOM 1360 O LYS A 88 7.760 -6.589 -8.635 1.00 22.12 O ATOM 1361 CB LYS A 88 9.245 -7.585 -6.282 1.00 1.15 C ATOM 1362 CG LYS A 88 10.628 -6.986 -6.125 1.00 61.45 C ATOM 1363 CD LYS A 88 11.732 -8.031 -6.277 1.00 60.02 C ATOM 1364 CE LYS A 88 11.644 -9.123 -5.217 1.00 51.31 C ATOM 1365 NZ LYS A 88 12.695 -10.157 -5.402 1.00 53.35 N ATOM 0 H LYS A 88 6.824 -8.146 -6.006 1.00 63.44 H new ATOM 0 HA LYS A 88 8.418 -5.751 -5.547 1.00 2.10 H new ATOM 0 HB2 LYS A 88 9.074 -8.307 -5.484 1.00 1.15 H new ATOM 0 HB3 LYS A 88 9.196 -8.133 -7.223 1.00 1.15 H new ATOM 0 HG2 LYS A 88 10.768 -6.201 -6.868 1.00 61.45 H new ATOM 0 HG3 LYS A 88 10.709 -6.515 -5.145 1.00 61.45 H new ATOM 0 HD2 LYS A 88 11.668 -8.483 -7.267 1.00 60.02 H new ATOM 0 HD3 LYS A 88 12.704 -7.542 -6.212 1.00 60.02 H new ATOM 0 HE2 LYS A 88 11.743 -8.678 -4.227 1.00 51.31 H new ATOM 0 HE3 LYS A 88 10.661 -9.592 -5.259 1.00 51.31 H new ATOM 0 HZ1 LYS A 88 12.603 -10.882 -4.662 1.00 53.35 H new ATOM 0 HZ2 LYS A 88 12.586 -10.600 -6.337 1.00 53.35 H new ATOM 0 HZ3 LYS A 88 13.633 -9.714 -5.337 1.00 53.35 H new ATOM 1379 N GLY A 89 8.015 -4.559 -7.703 1.00 71.22 N ATOM 1380 CA GLY A 89 7.674 -3.858 -8.939 1.00 3.14 C ATOM 1381 C GLY A 89 8.772 -2.951 -9.471 1.00 44.23 C ATOM 1382 O GLY A 89 9.759 -2.676 -8.786 1.00 21.44 O ATOM 0 H GLY A 89 8.291 -3.955 -6.929 1.00 71.22 H new ATOM 0 HA2 GLY A 89 7.426 -4.595 -9.703 1.00 3.14 H new ATOM 0 HA3 GLY A 89 6.778 -3.261 -8.768 1.00 3.14 H new ATOM 1386 N ASP A 90 8.586 -2.475 -10.704 1.00 33.30 N ATOM 1387 CA ASP A 90 9.563 -1.613 -11.368 1.00 63.35 C ATOM 1388 C ASP A 90 9.448 -0.159 -10.885 1.00 23.43 C ATOM 1389 O ASP A 90 8.926 0.706 -11.589 1.00 52.13 O ATOM 1390 CB ASP A 90 9.370 -1.692 -12.886 1.00 3.04 C ATOM 1391 CG ASP A 90 9.487 -3.117 -13.396 1.00 64.32 C ATOM 1392 OD1 ASP A 90 8.492 -3.865 -13.313 1.00 14.43 O ATOM 1393 OD2 ASP A 90 10.578 -3.499 -13.876 1.00 52.52 O ATOM 0 H ASP A 90 7.759 -2.675 -11.266 1.00 33.30 H new ATOM 0 HA ASP A 90 10.563 -1.964 -11.112 1.00 63.35 H new ATOM 0 HB2 ASP A 90 8.391 -1.291 -13.149 1.00 3.04 H new ATOM 0 HB3 ASP A 90 10.114 -1.067 -13.380 1.00 3.04 H new ATOM 1398 N VAL A 91 9.915 0.089 -9.665 1.00 54.03 N ATOM 1399 CA VAL A 91 9.890 1.432 -9.073 1.00 52.34 C ATOM 1400 C VAL A 91 11.251 1.792 -8.450 1.00 71.11 C ATOM 1401 O VAL A 91 11.977 0.911 -7.978 1.00 11.14 O ATOM 1402 CB VAL A 91 8.784 1.548 -7.988 1.00 21.21 C ATOM 1403 CG1 VAL A 91 7.393 1.430 -8.609 1.00 22.35 C ATOM 1404 CG2 VAL A 91 8.978 0.490 -6.906 1.00 4.21 C ATOM 0 H VAL A 91 10.319 -0.625 -9.059 1.00 54.03 H new ATOM 0 HA VAL A 91 9.672 2.131 -9.880 1.00 52.34 H new ATOM 0 HB VAL A 91 8.867 2.532 -7.527 1.00 21.21 H new ATOM 0 HG11 VAL A 91 6.637 1.515 -7.828 1.00 22.35 H new ATOM 0 HG12 VAL A 91 7.251 2.227 -9.339 1.00 22.35 H new ATOM 0 HG13 VAL A 91 7.296 0.464 -9.104 1.00 22.35 H new ATOM 0 HG21 VAL A 91 8.193 0.588 -6.156 1.00 4.21 H new ATOM 0 HG22 VAL A 91 8.929 -0.502 -7.354 1.00 4.21 H new ATOM 0 HG23 VAL A 91 9.951 0.627 -6.434 1.00 4.21 H new ATOM 1414 N PRO A 92 11.637 3.087 -8.465 1.00 72.15 N ATOM 1415 CA PRO A 92 12.889 3.552 -7.835 1.00 21.13 C ATOM 1416 C PRO A 92 12.924 3.281 -6.320 1.00 33.53 C ATOM 1417 O PRO A 92 11.880 3.129 -5.683 1.00 44.13 O ATOM 1418 CB PRO A 92 12.897 5.068 -8.119 1.00 71.44 C ATOM 1419 CG PRO A 92 11.958 5.251 -9.266 1.00 32.44 C ATOM 1420 CD PRO A 92 10.901 4.194 -9.101 1.00 31.10 C ATOM 0 HA PRO A 92 13.760 3.030 -8.231 1.00 21.13 H new ATOM 0 HB2 PRO A 92 12.570 5.635 -7.247 1.00 71.44 H new ATOM 0 HB3 PRO A 92 13.899 5.417 -8.369 1.00 71.44 H new ATOM 0 HG2 PRO A 92 11.519 6.248 -9.257 1.00 32.44 H new ATOM 0 HG3 PRO A 92 12.477 5.140 -10.218 1.00 32.44 H new ATOM 0 HD2 PRO A 92 10.077 4.541 -8.478 1.00 31.10 H new ATOM 0 HD3 PRO A 92 10.474 3.897 -10.059 1.00 31.10 H new ATOM 1428 N LYS A 93 14.125 3.218 -5.740 1.00 21.12 N ATOM 1429 CA LYS A 93 14.259 2.967 -4.301 1.00 72.44 C ATOM 1430 C LYS A 93 13.644 4.110 -3.481 1.00 33.32 C ATOM 1431 O LYS A 93 13.709 5.277 -3.876 1.00 55.23 O ATOM 1432 CB LYS A 93 15.728 2.771 -3.904 1.00 43.24 C ATOM 1433 CG LYS A 93 15.882 2.234 -2.487 1.00 34.22 C ATOM 1434 CD LYS A 93 17.334 2.111 -2.052 1.00 50.42 C ATOM 1435 CE LYS A 93 17.435 1.420 -0.698 1.00 4.00 C ATOM 1436 NZ LYS A 93 16.601 2.086 0.339 1.00 4.34 N ATOM 0 H LYS A 93 15.009 3.335 -6.236 1.00 21.12 H new ATOM 0 HA LYS A 93 13.716 2.048 -4.081 1.00 72.44 H new ATOM 0 HB2 LYS A 93 16.201 2.082 -4.604 1.00 43.24 H new ATOM 0 HB3 LYS A 93 16.254 3.722 -3.988 1.00 43.24 H new ATOM 0 HG2 LYS A 93 15.356 2.893 -1.796 1.00 34.22 H new ATOM 0 HG3 LYS A 93 15.405 1.256 -2.421 1.00 34.22 H new ATOM 0 HD2 LYS A 93 17.895 1.546 -2.797 1.00 50.42 H new ATOM 0 HD3 LYS A 93 17.787 3.101 -1.995 1.00 50.42 H new ATOM 0 HE2 LYS A 93 17.124 0.380 -0.799 1.00 4.00 H new ATOM 0 HE3 LYS A 93 18.476 1.411 -0.374 1.00 4.00 H new ATOM 0 HZ1 LYS A 93 17.022 1.929 1.277 1.00 4.34 H new ATOM 0 HZ2 LYS A 93 16.557 3.107 0.146 1.00 4.34 H new ATOM 0 HZ3 LYS A 93 15.640 1.688 0.320 1.00 4.34 H new ATOM 1450 N GLY A 94 13.056 3.772 -2.335 1.00 62.01 N ATOM 1451 CA GLY A 94 12.332 4.758 -1.542 1.00 62.32 C ATOM 1452 C GLY A 94 11.127 5.340 -2.282 1.00 2.11 C ATOM 1453 O GLY A 94 10.719 6.479 -2.035 1.00 53.12 O ATOM 0 H GLY A 94 13.067 2.832 -1.939 1.00 62.01 H new ATOM 0 HA2 GLY A 94 11.995 4.296 -0.614 1.00 62.32 H new ATOM 0 HA3 GLY A 94 13.010 5.566 -1.267 1.00 62.32 H new ATOM 1457 N MET A 95 10.562 4.556 -3.194 1.00 64.20 N ATOM 1458 CA MET A 95 9.403 4.967 -3.982 1.00 12.22 C ATOM 1459 C MET A 95 8.539 3.736 -4.318 1.00 10.20 C ATOM 1460 O MET A 95 9.069 2.688 -4.678 1.00 53.51 O ATOM 1461 CB MET A 95 9.896 5.654 -5.264 1.00 23.34 C ATOM 1462 CG MET A 95 8.822 6.393 -6.032 1.00 1.40 C ATOM 1463 SD MET A 95 9.482 7.210 -7.500 1.00 21.54 S ATOM 1464 CE MET A 95 8.121 8.287 -7.946 1.00 61.53 C ATOM 0 H MET A 95 10.895 3.616 -3.409 1.00 64.20 H new ATOM 0 HA MET A 95 8.790 5.667 -3.414 1.00 12.22 H new ATOM 0 HB2 MET A 95 10.687 6.357 -5.003 1.00 23.34 H new ATOM 0 HB3 MET A 95 10.340 4.902 -5.917 1.00 23.34 H new ATOM 0 HG2 MET A 95 8.040 5.693 -6.327 1.00 1.40 H new ATOM 0 HG3 MET A 95 8.357 7.135 -5.382 1.00 1.40 H new ATOM 0 HE1 MET A 95 7.715 7.981 -8.910 1.00 61.53 H new ATOM 0 HE2 MET A 95 7.341 8.221 -7.187 1.00 61.53 H new ATOM 0 HE3 MET A 95 8.477 9.315 -8.012 1.00 61.53 H new ATOM 1474 N ILE A 96 7.215 3.854 -4.192 1.00 55.45 N ATOM 1475 CA ILE A 96 6.319 2.707 -4.424 1.00 43.02 C ATOM 1476 C ILE A 96 5.064 3.102 -5.219 1.00 1.45 C ATOM 1477 O ILE A 96 4.528 4.202 -5.065 1.00 64.22 O ATOM 1478 CB ILE A 96 5.888 2.032 -3.091 1.00 73.12 C ATOM 1479 CG1 ILE A 96 5.130 3.023 -2.189 1.00 4.14 C ATOM 1480 CG2 ILE A 96 7.101 1.449 -2.359 1.00 34.13 C ATOM 1481 CD1 ILE A 96 4.624 2.402 -0.901 1.00 54.45 C ATOM 0 H ILE A 96 6.739 4.719 -3.934 1.00 55.45 H new ATOM 0 HA ILE A 96 6.895 1.994 -5.014 1.00 43.02 H new ATOM 0 HB ILE A 96 5.211 1.213 -3.334 1.00 73.12 H new ATOM 0 HG12 ILE A 96 5.787 3.858 -1.947 1.00 4.14 H new ATOM 0 HG13 ILE A 96 4.285 3.433 -2.742 1.00 4.14 H new ATOM 0 HG21 ILE A 96 6.775 0.982 -1.430 1.00 34.13 H new ATOM 0 HG22 ILE A 96 7.583 0.703 -2.991 1.00 34.13 H new ATOM 0 HG23 ILE A 96 7.809 2.247 -2.135 1.00 34.13 H new ATOM 0 HD11 ILE A 96 4.100 3.157 -0.315 1.00 54.45 H new ATOM 0 HD12 ILE A 96 3.941 1.585 -1.135 1.00 54.45 H new ATOM 0 HD13 ILE A 96 5.467 2.017 -0.327 1.00 54.45 H new ATOM 1493 N PHE A 97 4.598 2.192 -6.075 1.00 2.55 N ATOM 1494 CA PHE A 97 3.397 2.431 -6.887 1.00 15.43 C ATOM 1495 C PHE A 97 2.192 1.640 -6.356 1.00 32.14 C ATOM 1496 O PHE A 97 2.295 0.447 -6.066 1.00 43.41 O ATOM 1497 CB PHE A 97 3.658 2.047 -8.353 1.00 5.15 C ATOM 1498 CG PHE A 97 2.432 2.154 -9.232 1.00 52.32 C ATOM 1499 CD1 PHE A 97 2.041 3.379 -9.757 1.00 31.24 C ATOM 1500 CD2 PHE A 97 1.662 1.032 -9.519 1.00 15.41 C ATOM 1501 CE1 PHE A 97 0.914 3.482 -10.550 1.00 32.52 C ATOM 1502 CE2 PHE A 97 0.532 1.131 -10.310 1.00 13.30 C ATOM 1503 CZ PHE A 97 0.158 2.358 -10.826 1.00 42.53 C ATOM 0 H PHE A 97 5.032 1.281 -6.226 1.00 2.55 H new ATOM 0 HA PHE A 97 3.165 3.494 -6.824 1.00 15.43 H new ATOM 0 HB2 PHE A 97 4.441 2.690 -8.755 1.00 5.15 H new ATOM 0 HB3 PHE A 97 4.035 1.025 -8.391 1.00 5.15 H new ATOM 0 HD1 PHE A 97 2.625 4.262 -9.543 1.00 31.24 H new ATOM 0 HD2 PHE A 97 1.950 0.071 -9.119 1.00 15.41 H new ATOM 0 HE1 PHE A 97 0.624 4.441 -10.954 1.00 32.52 H new ATOM 0 HE2 PHE A 97 -0.057 0.252 -10.524 1.00 13.30 H new ATOM 0 HZ PHE A 97 -0.724 2.438 -11.444 1.00 42.53 H new ATOM 1513 N ILE A 98 1.050 2.312 -6.239 1.00 2.34 N ATOM 1514 CA ILE A 98 -0.208 1.658 -5.858 1.00 14.42 C ATOM 1515 C ILE A 98 -1.331 2.015 -6.854 1.00 31.21 C ATOM 1516 O ILE A 98 -1.482 3.176 -7.243 1.00 32.02 O ATOM 1517 CB ILE A 98 -0.650 2.059 -4.419 1.00 12.41 C ATOM 1518 CG1 ILE A 98 0.435 1.679 -3.396 1.00 51.20 C ATOM 1519 CG2 ILE A 98 -1.986 1.406 -4.054 1.00 20.04 C ATOM 1520 CD1 ILE A 98 0.055 1.967 -1.956 1.00 64.02 C ATOM 0 H ILE A 98 0.965 3.315 -6.403 1.00 2.34 H new ATOM 0 HA ILE A 98 -0.030 0.583 -5.879 1.00 14.42 H new ATOM 0 HB ILE A 98 -0.785 3.140 -4.395 1.00 12.41 H new ATOM 0 HG12 ILE A 98 0.658 0.617 -3.496 1.00 51.20 H new ATOM 0 HG13 ILE A 98 1.350 2.221 -3.635 1.00 51.20 H new ATOM 0 HG21 ILE A 98 -2.272 1.702 -3.045 1.00 20.04 H new ATOM 0 HG22 ILE A 98 -2.753 1.729 -4.758 1.00 20.04 H new ATOM 0 HG23 ILE A 98 -1.885 0.322 -4.099 1.00 20.04 H new ATOM 0 HD11 ILE A 98 0.872 1.671 -1.298 1.00 64.02 H new ATOM 0 HD12 ILE A 98 -0.139 3.033 -1.837 1.00 64.02 H new ATOM 0 HD13 ILE A 98 -0.842 1.404 -1.697 1.00 64.02 H new ATOM 1532 N PRO A 99 -2.118 1.023 -7.314 1.00 3.02 N ATOM 1533 CA PRO A 99 -3.287 1.288 -8.169 1.00 31.13 C ATOM 1534 C PRO A 99 -4.345 2.153 -7.458 1.00 61.22 C ATOM 1535 O PRO A 99 -4.651 1.943 -6.282 1.00 63.33 O ATOM 1536 CB PRO A 99 -3.838 -0.114 -8.485 1.00 73.35 C ATOM 1537 CG PRO A 99 -3.259 -1.010 -7.437 1.00 31.13 C ATOM 1538 CD PRO A 99 -1.924 -0.419 -7.073 1.00 1.32 C ATOM 0 HA PRO A 99 -3.019 1.853 -9.062 1.00 31.13 H new ATOM 0 HB2 PRO A 99 -4.927 -0.125 -8.454 1.00 73.35 H new ATOM 0 HB3 PRO A 99 -3.545 -0.436 -9.484 1.00 73.35 H new ATOM 0 HG2 PRO A 99 -3.912 -1.063 -6.566 1.00 31.13 H new ATOM 0 HG3 PRO A 99 -3.145 -2.027 -7.813 1.00 31.13 H new ATOM 0 HD2 PRO A 99 -1.663 -0.622 -6.034 1.00 1.32 H new ATOM 0 HD3 PRO A 99 -1.122 -0.826 -7.689 1.00 1.32 H new ATOM 1546 N MET A 100 -4.891 3.138 -8.174 1.00 15.40 N ATOM 1547 CA MET A 100 -5.884 4.056 -7.604 1.00 2.42 C ATOM 1548 C MET A 100 -7.120 3.286 -7.103 1.00 61.11 C ATOM 1549 O MET A 100 -7.912 2.775 -7.897 1.00 24.34 O ATOM 1550 CB MET A 100 -6.295 5.099 -8.659 1.00 42.41 C ATOM 1551 CG MET A 100 -6.836 6.422 -8.105 1.00 3.41 C ATOM 1552 SD MET A 100 -8.269 6.237 -7.025 1.00 74.21 S ATOM 1553 CE MET A 100 -7.494 6.254 -5.408 1.00 75.34 C ATOM 0 H MET A 100 -4.663 3.322 -9.151 1.00 15.40 H new ATOM 0 HA MET A 100 -5.436 4.566 -6.751 1.00 2.42 H new ATOM 0 HB2 MET A 100 -5.431 5.315 -9.287 1.00 42.41 H new ATOM 0 HB3 MET A 100 -7.055 4.658 -9.304 1.00 42.41 H new ATOM 0 HG2 MET A 100 -6.041 6.925 -7.554 1.00 3.41 H new ATOM 0 HG3 MET A 100 -7.104 7.070 -8.939 1.00 3.41 H new ATOM 0 HE1 MET A 100 -7.940 5.481 -4.783 1.00 75.34 H new ATOM 0 HE2 MET A 100 -6.426 6.064 -5.514 1.00 75.34 H new ATOM 0 HE3 MET A 100 -7.644 7.228 -4.943 1.00 75.34 H new ATOM 1563 N GLY A 101 -7.260 3.198 -5.782 1.00 10.20 N ATOM 1564 CA GLY A 101 -8.391 2.489 -5.188 1.00 25.14 C ATOM 1565 C GLY A 101 -8.688 2.952 -3.770 1.00 72.52 C ATOM 1566 O GLY A 101 -8.041 3.879 -3.279 1.00 2.31 O ATOM 0 H GLY A 101 -6.611 3.605 -5.108 1.00 10.20 H new ATOM 0 HA2 GLY A 101 -9.275 2.637 -5.808 1.00 25.14 H new ATOM 0 HA3 GLY A 101 -8.182 1.419 -5.181 1.00 25.14 H new ATOM 1570 N PRO A 102 -9.638 2.306 -3.058 1.00 51.35 N ATOM 1571 CA PRO A 102 -10.025 2.736 -1.701 1.00 72.34 C ATOM 1572 C PRO A 102 -8.855 2.629 -0.712 1.00 1.41 C ATOM 1573 O PRO A 102 -8.796 3.353 0.278 1.00 40.43 O ATOM 1574 CB PRO A 102 -11.165 1.772 -1.323 1.00 75.22 C ATOM 1575 CG PRO A 102 -10.999 0.592 -2.226 1.00 53.42 C ATOM 1576 CD PRO A 102 -10.379 1.108 -3.499 1.00 41.24 C ATOM 0 HA PRO A 102 -10.326 3.783 -1.669 1.00 72.34 H new ATOM 0 HB2 PRO A 102 -11.100 1.478 -0.275 1.00 75.22 H new ATOM 0 HB3 PRO A 102 -12.139 2.241 -1.463 1.00 75.22 H new ATOM 0 HG2 PRO A 102 -10.363 -0.163 -1.764 1.00 53.42 H new ATOM 0 HG3 PRO A 102 -11.961 0.120 -2.427 1.00 53.42 H new ATOM 0 HD2 PRO A 102 -9.717 0.370 -3.951 1.00 41.24 H new ATOM 0 HD3 PRO A 102 -11.136 1.355 -4.243 1.00 41.24 H new ATOM 1584 N TYR A 103 -7.921 1.730 -1.018 1.00 44.42 N ATOM 1585 CA TYR A 103 -6.718 1.524 -0.203 1.00 54.25 C ATOM 1586 C TYR A 103 -5.759 2.708 -0.344 1.00 60.44 C ATOM 1587 O TYR A 103 -5.363 3.329 0.642 1.00 63.33 O ATOM 1588 CB TYR A 103 -6.015 0.228 -0.632 1.00 73.23 C ATOM 1589 CG TYR A 103 -6.893 -1.005 -0.514 1.00 32.42 C ATOM 1590 CD1 TYR A 103 -8.037 -1.140 -1.292 1.00 44.14 C ATOM 1591 CD2 TYR A 103 -6.586 -2.024 0.380 1.00 13.44 C ATOM 1592 CE1 TYR A 103 -8.846 -2.248 -1.185 1.00 33.31 C ATOM 1593 CE2 TYR A 103 -7.392 -3.138 0.490 1.00 54.13 C ATOM 1594 CZ TYR A 103 -8.522 -3.242 -0.295 1.00 13.15 C ATOM 1595 OH TYR A 103 -9.328 -4.353 -0.195 1.00 22.21 O ATOM 0 H TYR A 103 -7.974 1.123 -1.836 1.00 44.42 H new ATOM 0 HA TYR A 103 -7.017 1.445 0.842 1.00 54.25 H new ATOM 0 HB2 TYR A 103 -5.682 0.330 -1.665 1.00 73.23 H new ATOM 0 HB3 TYR A 103 -5.123 0.089 -0.022 1.00 73.23 H new ATOM 0 HD1 TYR A 103 -8.296 -0.361 -1.994 1.00 44.14 H new ATOM 0 HD2 TYR A 103 -5.704 -1.942 0.997 1.00 13.44 H new ATOM 0 HE1 TYR A 103 -9.731 -2.335 -1.798 1.00 33.31 H new ATOM 0 HE2 TYR A 103 -7.140 -3.924 1.186 1.00 54.13 H new ATOM 0 HH TYR A 103 -8.772 -5.151 -0.078 1.00 22.21 H new ATOM 1605 N ALA A 104 -5.405 3.031 -1.588 1.00 71.43 N ATOM 1606 CA ALA A 104 -4.567 4.195 -1.872 1.00 33.21 C ATOM 1607 C ALA A 104 -5.256 5.484 -1.404 1.00 61.41 C ATOM 1608 O ALA A 104 -4.609 6.412 -0.931 1.00 41.34 O ATOM 1609 CB ALA A 104 -4.245 4.268 -3.364 1.00 44.30 C ATOM 0 H ALA A 104 -5.686 2.503 -2.414 1.00 71.43 H new ATOM 0 HA ALA A 104 -3.632 4.089 -1.322 1.00 33.21 H new ATOM 0 HB1 ALA A 104 -3.621 5.140 -3.559 1.00 44.30 H new ATOM 0 HB2 ALA A 104 -3.713 3.366 -3.666 1.00 44.30 H new ATOM 0 HB3 ALA A 104 -5.171 4.351 -3.933 1.00 44.30 H new ATOM 1615 N ASN A 105 -6.584 5.500 -1.494 1.00 34.51 N ATOM 1616 CA ASN A 105 -7.394 6.661 -1.109 1.00 51.22 C ATOM 1617 C ASN A 105 -7.164 7.052 0.364 1.00 0.10 C ATOM 1618 O ASN A 105 -7.393 8.198 0.760 1.00 53.54 O ATOM 1619 CB ASN A 105 -8.875 6.340 -1.372 1.00 24.14 C ATOM 1620 CG ASN A 105 -9.834 7.349 -0.773 1.00 12.41 C ATOM 1621 OD1 ASN A 105 -10.163 8.356 -1.384 1.00 11.20 O ATOM 1622 ND2 ASN A 105 -10.304 7.069 0.425 1.00 35.31 N ATOM 0 H ASN A 105 -7.132 4.710 -1.835 1.00 34.51 H new ATOM 0 HA ASN A 105 -7.093 7.519 -1.710 1.00 51.22 H new ATOM 0 HB2 ASN A 105 -9.041 6.289 -2.448 1.00 24.14 H new ATOM 0 HB3 ASN A 105 -9.101 5.353 -0.968 1.00 24.14 H new ATOM 0 HD21 ASN A 105 -10.966 7.702 0.874 1.00 35.31 H new ATOM 0 HD22 ASN A 105 -10.006 6.219 0.904 1.00 35.31 H new ATOM 1629 N MET A 106 -6.692 6.099 1.165 1.00 73.34 N ATOM 1630 CA MET A 106 -6.435 6.341 2.590 1.00 62.21 C ATOM 1631 C MET A 106 -5.116 7.100 2.801 1.00 14.54 C ATOM 1632 O MET A 106 -4.979 7.871 3.749 1.00 3.11 O ATOM 1633 CB MET A 106 -6.383 5.007 3.347 1.00 61.33 C ATOM 1634 CG MET A 106 -7.486 4.040 2.948 1.00 65.32 C ATOM 1635 SD MET A 106 -7.492 2.528 3.937 1.00 24.23 S ATOM 1636 CE MET A 106 -7.865 3.163 5.571 1.00 44.40 C ATOM 0 H MET A 106 -6.479 5.151 0.855 1.00 73.34 H new ATOM 0 HA MET A 106 -7.249 6.954 2.976 1.00 62.21 H new ATOM 0 HB2 MET A 106 -5.416 4.536 3.171 1.00 61.33 H new ATOM 0 HB3 MET A 106 -6.452 5.203 4.417 1.00 61.33 H new ATOM 0 HG2 MET A 106 -8.451 4.537 3.048 1.00 65.32 H new ATOM 0 HG3 MET A 106 -7.370 3.779 1.896 1.00 65.32 H new ATOM 0 HE1 MET A 106 -8.229 2.352 6.202 1.00 44.40 H new ATOM 0 HE2 MET A 106 -6.963 3.588 6.011 1.00 44.40 H new ATOM 0 HE3 MET A 106 -8.630 3.935 5.495 1.00 44.40 H new ATOM 1646 N VAL A 107 -4.160 6.901 1.894 1.00 63.13 N ATOM 1647 CA VAL A 107 -2.799 7.429 2.073 1.00 65.14 C ATOM 1648 C VAL A 107 -2.465 8.539 1.066 1.00 21.33 C ATOM 1649 O VAL A 107 -1.534 9.320 1.272 1.00 42.45 O ATOM 1650 CB VAL A 107 -1.740 6.300 1.961 1.00 34.24 C ATOM 1651 CG1 VAL A 107 -1.928 5.272 3.077 1.00 74.24 C ATOM 1652 CG2 VAL A 107 -1.801 5.631 0.589 1.00 2.45 C ATOM 0 H VAL A 107 -4.298 6.380 1.028 1.00 63.13 H new ATOM 0 HA VAL A 107 -2.769 7.858 3.075 1.00 65.14 H new ATOM 0 HB VAL A 107 -0.752 6.747 2.073 1.00 34.24 H new ATOM 0 HG11 VAL A 107 -1.176 4.489 2.981 1.00 74.24 H new ATOM 0 HG12 VAL A 107 -1.820 5.762 4.045 1.00 74.24 H new ATOM 0 HG13 VAL A 107 -2.922 4.831 3.002 1.00 74.24 H new ATOM 0 HG21 VAL A 107 -1.050 4.843 0.535 1.00 2.45 H new ATOM 0 HG22 VAL A 107 -2.791 5.200 0.438 1.00 2.45 H new ATOM 0 HG23 VAL A 107 -1.606 6.372 -0.186 1.00 2.45 H new ATOM 1662 N ILE A 108 -3.218 8.609 -0.023 1.00 71.10 N ATOM 1663 CA ILE A 108 -2.987 9.630 -1.042 1.00 2.25 C ATOM 1664 C ILE A 108 -3.886 10.860 -0.822 1.00 0.42 C ATOM 1665 O ILE A 108 -4.698 10.897 0.102 1.00 12.31 O ATOM 1666 CB ILE A 108 -3.214 9.085 -2.472 1.00 74.10 C ATOM 1667 CG1 ILE A 108 -4.706 8.936 -2.774 1.00 35.01 C ATOM 1668 CG2 ILE A 108 -2.498 7.746 -2.680 1.00 44.32 C ATOM 1669 CD1 ILE A 108 -4.968 8.727 -4.238 1.00 42.43 C ATOM 0 H ILE A 108 -3.991 7.975 -0.225 1.00 71.10 H new ATOM 0 HA ILE A 108 -1.943 9.926 -0.943 1.00 2.25 H new ATOM 0 HB ILE A 108 -2.790 9.811 -3.166 1.00 74.10 H new ATOM 0 HG12 ILE A 108 -5.107 8.094 -2.211 1.00 35.01 H new ATOM 0 HG13 ILE A 108 -5.235 9.827 -2.435 1.00 35.01 H new ATOM 0 HG21 ILE A 108 -2.678 7.391 -3.695 1.00 44.32 H new ATOM 0 HG22 ILE A 108 -1.427 7.878 -2.526 1.00 44.32 H new ATOM 0 HG23 ILE A 108 -2.879 7.015 -1.967 1.00 44.32 H new ATOM 0 HD11 ILE A 108 -6.040 8.626 -4.405 1.00 42.43 H new ATOM 0 HD12 ILE A 108 -4.592 9.581 -4.801 1.00 42.43 H new ATOM 0 HD13 ILE A 108 -4.462 7.821 -4.572 1.00 42.43 H new ATOM 1681 N ASP A 109 -3.733 11.859 -1.687 1.00 23.31 N ATOM 1682 CA ASP A 109 -4.568 13.063 -1.647 1.00 62.14 C ATOM 1683 C ASP A 109 -5.796 12.899 -2.562 1.00 22.21 C ATOM 1684 O ASP A 109 -5.667 12.891 -3.785 1.00 74.30 O ATOM 1685 CB ASP A 109 -3.741 14.284 -2.075 1.00 52.11 C ATOM 1686 CG ASP A 109 -4.555 15.568 -2.084 1.00 42.35 C ATOM 1687 OD1 ASP A 109 -4.684 16.204 -1.017 1.00 12.00 O ATOM 1688 OD2 ASP A 109 -5.071 15.944 -3.157 1.00 23.20 O ATOM 0 H ASP A 109 -3.034 11.861 -2.430 1.00 23.31 H new ATOM 0 HA ASP A 109 -4.920 13.213 -0.627 1.00 62.14 H new ATOM 0 HB2 ASP A 109 -2.894 14.400 -1.398 1.00 52.11 H new ATOM 0 HB3 ASP A 109 -3.332 14.110 -3.070 1.00 52.11 H new ATOM 1862 N GLY A 122 3.966 11.051 -6.892 1.00 22.03 N ATOM 1863 CA GLY A 122 2.917 10.518 -6.038 1.00 31.11 C ATOM 1864 C GLY A 122 2.925 11.143 -4.647 1.00 51.54 C ATOM 1865 O GLY A 122 3.710 12.055 -4.371 1.00 72.11 O ATOM 0 HA2 GLY A 122 1.948 10.692 -6.506 1.00 31.11 H new ATOM 0 HA3 GLY A 122 3.038 9.438 -5.949 1.00 31.11 H new ATOM 1869 N VAL A 123 2.051 10.664 -3.767 1.00 63.30 N ATOM 1870 CA VAL A 123 1.987 11.185 -2.395 1.00 25.43 C ATOM 1871 C VAL A 123 3.053 10.541 -1.493 1.00 41.32 C ATOM 1872 O VAL A 123 3.059 9.332 -1.284 1.00 43.04 O ATOM 1873 CB VAL A 123 0.592 10.967 -1.771 1.00 22.13 C ATOM 1874 CG1 VAL A 123 0.543 11.492 -0.335 1.00 53.13 C ATOM 1875 CG2 VAL A 123 -0.484 11.624 -2.634 1.00 32.00 C ATOM 0 H VAL A 123 1.381 9.923 -3.971 1.00 63.30 H new ATOM 0 HA VAL A 123 2.182 12.255 -2.461 1.00 25.43 H new ATOM 0 HB VAL A 123 0.396 9.895 -1.735 1.00 22.13 H new ATOM 0 HG11 VAL A 123 -0.451 11.325 0.080 1.00 53.13 H new ATOM 0 HG12 VAL A 123 1.281 10.966 0.270 1.00 53.13 H new ATOM 0 HG13 VAL A 123 0.764 12.559 -0.330 1.00 53.13 H new ATOM 0 HG21 VAL A 123 -1.462 11.462 -2.182 1.00 32.00 H new ATOM 0 HG22 VAL A 123 -0.290 12.694 -2.705 1.00 32.00 H new ATOM 0 HG23 VAL A 123 -0.468 11.185 -3.632 1.00 32.00 H new ATOM 1885 N LYS A 124 3.941 11.363 -0.945 1.00 75.34 N ATOM 1886 CA LYS A 124 5.055 10.870 -0.121 1.00 74.45 C ATOM 1887 C LYS A 124 4.593 10.384 1.265 1.00 25.41 C ATOM 1888 O LYS A 124 3.575 10.833 1.793 1.00 31.25 O ATOM 1889 CB LYS A 124 6.121 11.963 0.037 1.00 65.43 C ATOM 1890 CG LYS A 124 6.700 12.443 -1.289 1.00 70.02 C ATOM 1891 CD LYS A 124 7.824 13.458 -1.085 1.00 64.30 C ATOM 1892 CE LYS A 124 8.373 13.969 -2.413 1.00 61.14 C ATOM 1893 NZ LYS A 124 9.495 14.927 -2.226 1.00 33.12 N ATOM 0 H LYS A 124 3.917 12.377 -1.053 1.00 75.34 H new ATOM 0 HA LYS A 124 5.481 10.012 -0.641 1.00 74.45 H new ATOM 0 HB2 LYS A 124 5.684 12.812 0.562 1.00 65.43 H new ATOM 0 HB3 LYS A 124 6.930 11.583 0.661 1.00 65.43 H new ATOM 0 HG2 LYS A 124 7.079 11.589 -1.850 1.00 70.02 H new ATOM 0 HG3 LYS A 124 5.909 12.893 -1.889 1.00 70.02 H new ATOM 0 HD2 LYS A 124 7.453 14.298 -0.498 1.00 64.30 H new ATOM 0 HD3 LYS A 124 8.629 12.999 -0.511 1.00 64.30 H new ATOM 0 HE2 LYS A 124 8.714 13.125 -3.012 1.00 61.14 H new ATOM 0 HE3 LYS A 124 7.573 14.454 -2.972 1.00 61.14 H new ATOM 0 HZ1 LYS A 124 9.836 15.248 -3.155 1.00 33.12 H new ATOM 0 HZ2 LYS A 124 9.164 15.746 -1.677 1.00 33.12 H new ATOM 0 HZ3 LYS A 124 10.270 14.458 -1.715 1.00 33.12 H new ATOM 1907 N GLY A 125 5.365 9.467 1.847 1.00 2.43 N ATOM 1908 CA GLY A 125 5.047 8.924 3.161 1.00 63.35 C ATOM 1909 C GLY A 125 6.036 7.849 3.613 1.00 45.43 C ATOM 1910 O GLY A 125 7.238 7.963 3.372 1.00 63.30 O ATOM 0 H GLY A 125 6.213 9.087 1.427 1.00 2.43 H new ATOM 0 HA2 GLY A 125 5.038 9.733 3.891 1.00 63.35 H new ATOM 0 HA3 GLY A 125 4.042 8.502 3.141 1.00 63.35 H new ATOM 1914 N THR A 126 5.528 6.798 4.257 1.00 33.44 N ATOM 1915 CA THR A 126 6.367 5.703 4.774 1.00 70.33 C ATOM 1916 C THR A 126 5.737 4.336 4.479 1.00 51.41 C ATOM 1917 O THR A 126 4.541 4.235 4.197 1.00 40.51 O ATOM 1918 CB THR A 126 6.576 5.800 6.311 1.00 13.33 C ATOM 1919 OG1 THR A 126 5.319 5.691 6.997 1.00 74.54 O ATOM 1920 CG2 THR A 126 7.247 7.110 6.706 1.00 2.23 C ATOM 0 H THR A 126 4.531 6.677 4.437 1.00 33.44 H new ATOM 0 HA THR A 126 7.327 5.800 4.268 1.00 70.33 H new ATOM 0 HB THR A 126 7.227 4.975 6.599 1.00 13.33 H new ATOM 0 HG1 THR A 126 4.610 6.080 6.444 1.00 74.54 H new ATOM 0 HG21 THR A 126 7.376 7.141 7.788 1.00 2.23 H new ATOM 0 HG22 THR A 126 8.221 7.180 6.222 1.00 2.23 H new ATOM 0 HG23 THR A 126 6.624 7.947 6.391 1.00 2.23 H new ATOM 1928 N VAL A 127 6.552 3.288 4.550 1.00 71.51 N ATOM 1929 CA VAL A 127 6.064 1.914 4.423 1.00 31.42 C ATOM 1930 C VAL A 127 6.740 0.995 5.457 1.00 74.52 C ATOM 1931 O VAL A 127 7.920 1.155 5.781 1.00 23.33 O ATOM 1932 CB VAL A 127 6.303 1.351 2.995 1.00 3.22 C ATOM 1933 CG1 VAL A 127 7.799 1.242 2.685 1.00 41.25 C ATOM 1934 CG2 VAL A 127 5.605 0.002 2.814 1.00 72.23 C ATOM 0 H VAL A 127 7.559 3.362 4.696 1.00 71.51 H new ATOM 0 HA VAL A 127 4.990 1.938 4.609 1.00 31.42 H new ATOM 0 HB VAL A 127 5.867 2.053 2.284 1.00 3.22 H new ATOM 0 HG11 VAL A 127 7.934 0.845 1.679 1.00 41.25 H new ATOM 0 HG12 VAL A 127 8.257 2.229 2.750 1.00 41.25 H new ATOM 0 HG13 VAL A 127 8.272 0.574 3.405 1.00 41.25 H new ATOM 0 HG21 VAL A 127 5.788 -0.370 1.806 1.00 72.23 H new ATOM 0 HG22 VAL A 127 5.996 -0.710 3.540 1.00 72.23 H new ATOM 0 HG23 VAL A 127 4.533 0.124 2.966 1.00 72.23 H new ATOM 1944 N GLU A 128 5.978 0.041 5.971 1.00 44.31 N ATOM 1945 CA GLU A 128 6.483 -0.938 6.935 1.00 55.05 C ATOM 1946 C GLU A 128 5.771 -2.281 6.753 1.00 33.21 C ATOM 1947 O GLU A 128 4.586 -2.321 6.422 1.00 5.32 O ATOM 1948 CB GLU A 128 6.263 -0.423 8.367 1.00 3.32 C ATOM 1949 CG GLU A 128 4.827 0.027 8.627 1.00 50.01 C ATOM 1950 CD GLU A 128 4.575 0.484 10.055 1.00 62.24 C ATOM 1951 OE1 GLU A 128 5.319 1.356 10.547 1.00 24.03 O ATOM 1952 OE2 GLU A 128 3.608 -0.003 10.682 1.00 22.12 O ATOM 0 H GLU A 128 4.993 -0.080 5.735 1.00 44.31 H new ATOM 0 HA GLU A 128 7.550 -1.080 6.763 1.00 55.05 H new ATOM 0 HB2 GLU A 128 6.525 -1.210 9.074 1.00 3.32 H new ATOM 0 HB3 GLU A 128 6.939 0.411 8.555 1.00 3.32 H new ATOM 0 HG2 GLU A 128 4.583 0.843 7.946 1.00 50.01 H new ATOM 0 HG3 GLU A 128 4.151 -0.796 8.394 1.00 50.01 H new ATOM 1959 N LYS A 129 6.488 -3.382 6.952 1.00 61.45 N ATOM 1960 CA LYS A 129 5.870 -4.707 6.876 1.00 12.20 C ATOM 1961 C LYS A 129 5.170 -5.043 8.198 1.00 72.12 C ATOM 1962 O LYS A 129 5.671 -4.717 9.274 1.00 52.22 O ATOM 1963 CB LYS A 129 6.910 -5.777 6.538 1.00 52.11 C ATOM 1964 CG LYS A 129 6.281 -7.086 6.079 1.00 60.41 C ATOM 1965 CD LYS A 129 7.331 -8.079 5.602 1.00 0.15 C ATOM 1966 CE LYS A 129 7.841 -8.972 6.714 1.00 42.11 C ATOM 1967 NZ LYS A 129 6.742 -9.805 7.278 1.00 73.33 N ATOM 0 H LYS A 129 7.486 -3.388 7.165 1.00 61.45 H new ATOM 0 HA LYS A 129 5.127 -4.691 6.078 1.00 12.20 H new ATOM 0 HB2 LYS A 129 7.570 -5.402 5.755 1.00 52.11 H new ATOM 0 HB3 LYS A 129 7.530 -5.965 7.415 1.00 52.11 H new ATOM 0 HG2 LYS A 129 5.712 -7.524 6.899 1.00 60.41 H new ATOM 0 HG3 LYS A 129 5.575 -6.887 5.272 1.00 60.41 H new ATOM 0 HD2 LYS A 129 6.907 -8.697 4.811 1.00 0.15 H new ATOM 0 HD3 LYS A 129 8.169 -7.534 5.166 1.00 0.15 H new ATOM 0 HE2 LYS A 129 8.632 -9.618 6.333 1.00 42.11 H new ATOM 0 HE3 LYS A 129 8.280 -8.361 7.503 1.00 42.11 H new ATOM 0 HZ1 LYS A 129 6.471 -9.436 8.212 1.00 73.33 H new ATOM 0 HZ2 LYS A 129 5.920 -9.773 6.641 1.00 73.33 H new ATOM 0 HZ3 LYS A 129 7.067 -10.788 7.375 1.00 73.33 H new ATOM 1981 N THR A 130 4.030 -5.720 8.127 1.00 11.32 N ATOM 1982 CA THR A 130 3.169 -5.874 9.315 1.00 10.21 C ATOM 1983 C THR A 130 2.700 -7.316 9.551 1.00 1.33 C ATOM 1984 O THR A 130 2.657 -8.141 8.636 1.00 55.44 O ATOM 1985 CB THR A 130 1.922 -4.954 9.235 1.00 34.13 C ATOM 1986 OG1 THR A 130 1.082 -5.150 10.385 1.00 22.43 O ATOM 1987 CG2 THR A 130 1.118 -5.217 7.964 1.00 4.50 C ATOM 0 H THR A 130 3.677 -6.167 7.281 1.00 11.32 H new ATOM 0 HA THR A 130 3.798 -5.584 10.157 1.00 10.21 H new ATOM 0 HB THR A 130 2.274 -3.923 9.213 1.00 34.13 H new ATOM 0 HG1 THR A 130 0.300 -4.563 10.323 1.00 22.43 H new ATOM 0 HG21 THR A 130 0.251 -4.556 7.939 1.00 4.50 H new ATOM 0 HG22 THR A 130 1.744 -5.028 7.092 1.00 4.50 H new ATOM 0 HG23 THR A 130 0.784 -6.254 7.953 1.00 4.50 H new ATOM 1995 N ASP A 131 2.354 -7.598 10.804 1.00 1.03 N ATOM 1996 CA ASP A 131 1.805 -8.894 11.205 1.00 53.01 C ATOM 1997 C ASP A 131 0.288 -8.942 10.935 1.00 50.21 C ATOM 1998 O ASP A 131 -0.318 -10.017 10.866 1.00 52.44 O ATOM 1999 CB ASP A 131 2.101 -9.108 12.699 1.00 3.24 C ATOM 2000 CG ASP A 131 1.701 -10.483 13.204 1.00 35.32 C ATOM 2001 OD1 ASP A 131 2.447 -11.455 12.953 1.00 42.54 O ATOM 2002 OD2 ASP A 131 0.652 -10.600 13.875 1.00 53.02 O ATOM 0 H ASP A 131 2.446 -6.934 11.573 1.00 1.03 H new ATOM 0 HA ASP A 131 2.269 -9.691 10.623 1.00 53.01 H new ATOM 0 HB2 ASP A 131 3.167 -8.961 12.875 1.00 3.24 H new ATOM 0 HB3 ASP A 131 1.574 -8.349 13.278 1.00 3.24 H new ATOM 2007 N GLU A 132 -0.304 -7.761 10.747 1.00 12.32 N ATOM 2008 CA GLU A 132 -1.754 -7.617 10.564 1.00 54.24 C ATOM 2009 C GLU A 132 -2.244 -8.195 9.225 1.00 1.53 C ATOM 2010 O GLU A 132 -1.459 -8.695 8.415 1.00 35.45 O ATOM 2011 CB GLU A 132 -2.142 -6.134 10.653 1.00 51.52 C ATOM 2012 CG GLU A 132 -1.731 -5.462 11.959 1.00 11.14 C ATOM 2013 CD GLU A 132 -2.387 -6.096 13.178 1.00 51.44 C ATOM 2014 OE1 GLU A 132 -3.543 -5.737 13.487 1.00 2.11 O ATOM 2015 OE2 GLU A 132 -1.759 -6.967 13.823 1.00 42.40 O ATOM 0 H GLU A 132 0.205 -6.878 10.717 1.00 12.32 H new ATOM 0 HA GLU A 132 -2.235 -8.186 11.359 1.00 54.24 H new ATOM 0 HB2 GLU A 132 -1.684 -5.599 9.821 1.00 51.52 H new ATOM 0 HB3 GLU A 132 -3.222 -6.044 10.534 1.00 51.52 H new ATOM 0 HG2 GLU A 132 -0.648 -5.516 12.065 1.00 11.14 H new ATOM 0 HG3 GLU A 132 -1.995 -4.405 11.918 1.00 11.14 H new ATOM 2022 N LYS A 133 -3.555 -8.112 9.006 1.00 62.32 N ATOM 2023 CA LYS A 133 -4.182 -8.625 7.783 1.00 52.20 C ATOM 2024 C LYS A 133 -4.438 -7.505 6.763 1.00 2.35 C ATOM 2025 O LYS A 133 -4.498 -6.328 7.119 1.00 4.21 O ATOM 2026 CB LYS A 133 -5.518 -9.302 8.118 1.00 45.40 C ATOM 2027 CG LYS A 133 -6.559 -8.331 8.673 1.00 51.21 C ATOM 2028 CD LYS A 133 -7.945 -8.963 8.778 1.00 73.54 C ATOM 2029 CE LYS A 133 -8.998 -7.937 9.192 1.00 62.25 C ATOM 2030 NZ LYS A 133 -10.375 -8.498 9.162 1.00 22.54 N ATOM 0 H LYS A 133 -4.211 -7.691 9.664 1.00 62.32 H new ATOM 0 HA LYS A 133 -3.492 -9.346 7.344 1.00 52.20 H new ATOM 0 HB2 LYS A 133 -5.914 -9.775 7.220 1.00 45.40 H new ATOM 0 HB3 LYS A 133 -5.345 -10.095 8.846 1.00 45.40 H new ATOM 0 HG2 LYS A 133 -6.243 -7.988 9.658 1.00 51.21 H new ATOM 0 HG3 LYS A 133 -6.611 -7.452 8.031 1.00 51.21 H new ATOM 0 HD2 LYS A 133 -8.220 -9.401 7.819 1.00 73.54 H new ATOM 0 HD3 LYS A 133 -7.922 -9.775 9.504 1.00 73.54 H new ATOM 0 HE2 LYS A 133 -8.776 -7.577 10.197 1.00 62.25 H new ATOM 0 HE3 LYS A 133 -8.944 -7.076 8.526 1.00 62.25 H new ATOM 0 HZ1 LYS A 133 -11.058 -7.732 8.994 1.00 22.54 H new ATOM 0 HZ2 LYS A 133 -10.447 -9.200 8.398 1.00 22.54 H new ATOM 0 HZ3 LYS A 133 -10.584 -8.954 10.073 1.00 22.54 H new ATOM 2044 N VAL A 134 -4.606 -7.882 5.498 1.00 73.33 N ATOM 2045 CA VAL A 134 -4.985 -6.927 4.451 1.00 11.21 C ATOM 2046 C VAL A 134 -6.465 -6.530 4.580 1.00 53.15 C ATOM 2047 O VAL A 134 -7.329 -7.384 4.805 1.00 35.14 O ATOM 2048 CB VAL A 134 -4.733 -7.512 3.037 1.00 74.23 C ATOM 2049 CG1 VAL A 134 -5.244 -6.568 1.949 1.00 10.24 C ATOM 2050 CG2 VAL A 134 -3.250 -7.808 2.836 1.00 14.30 C ATOM 0 H VAL A 134 -4.487 -8.840 5.170 1.00 73.33 H new ATOM 0 HA VAL A 134 -4.363 -6.042 4.582 1.00 11.21 H new ATOM 0 HB VAL A 134 -5.288 -8.447 2.957 1.00 74.23 H new ATOM 0 HG11 VAL A 134 -5.053 -7.005 0.969 1.00 10.24 H new ATOM 0 HG12 VAL A 134 -6.316 -6.414 2.075 1.00 10.24 H new ATOM 0 HG13 VAL A 134 -4.728 -5.611 2.026 1.00 10.24 H new ATOM 0 HG21 VAL A 134 -3.093 -8.218 1.838 1.00 14.30 H new ATOM 0 HG22 VAL A 134 -2.677 -6.887 2.944 1.00 14.30 H new ATOM 0 HG23 VAL A 134 -2.919 -8.531 3.581 1.00 14.30 H new ATOM 2060 N LEU A 135 -6.753 -5.238 4.442 1.00 34.40 N ATOM 2061 CA LEU A 135 -8.133 -4.750 4.523 1.00 51.13 C ATOM 2062 C LEU A 135 -8.973 -5.242 3.342 1.00 65.52 C ATOM 2063 O LEU A 135 -8.494 -5.317 2.215 1.00 10.54 O ATOM 2064 CB LEU A 135 -8.172 -3.210 4.585 1.00 32.24 C ATOM 2065 CG LEU A 135 -8.145 -2.609 6.000 1.00 71.22 C ATOM 2066 CD1 LEU A 135 -8.146 -1.083 5.942 1.00 50.14 C ATOM 2067 CD2 LEU A 135 -9.338 -3.111 6.813 1.00 42.23 C ATOM 0 H LEU A 135 -6.056 -4.512 4.275 1.00 34.40 H new ATOM 0 HA LEU A 135 -8.562 -5.152 5.441 1.00 51.13 H new ATOM 0 HB2 LEU A 135 -7.322 -2.819 4.025 1.00 32.24 H new ATOM 0 HB3 LEU A 135 -9.073 -2.865 4.079 1.00 32.24 H new ATOM 0 HG LEU A 135 -7.226 -2.931 6.490 1.00 71.22 H new ATOM 0 HD11 LEU A 135 -8.127 -0.680 6.955 1.00 50.14 H new ATOM 0 HD12 LEU A 135 -7.266 -0.739 5.398 1.00 50.14 H new ATOM 0 HD13 LEU A 135 -9.046 -0.739 5.432 1.00 50.14 H new ATOM 0 HD21 LEU A 135 -9.306 -2.677 7.812 1.00 42.23 H new ATOM 0 HD22 LEU A 135 -10.264 -2.817 6.320 1.00 42.23 H new ATOM 0 HD23 LEU A 135 -9.296 -4.198 6.888 1.00 42.23 H new ATOM 2079 N SER A 136 -10.218 -5.602 3.615 1.00 63.54 N ATOM 2080 CA SER A 136 -11.175 -5.923 2.550 1.00 72.31 C ATOM 2081 C SER A 136 -11.853 -4.639 2.064 1.00 0.23 C ATOM 2082 O SER A 136 -12.044 -3.714 2.848 1.00 34.44 O ATOM 2083 CB SER A 136 -12.223 -6.925 3.051 1.00 0.35 C ATOM 2084 OG SER A 136 -11.617 -8.131 3.494 1.00 11.24 O ATOM 0 H SER A 136 -10.595 -5.681 4.560 1.00 63.54 H new ATOM 0 HA SER A 136 -10.639 -6.380 1.718 1.00 72.31 H new ATOM 0 HB2 SER A 136 -12.792 -6.481 3.868 1.00 0.35 H new ATOM 0 HB3 SER A 136 -12.931 -7.144 2.251 1.00 0.35 H new ATOM 0 HG SER A 136 -12.310 -8.749 3.809 1.00 11.24 H new ATOM 2090 N VAL A 137 -12.226 -4.587 0.784 1.00 52.20 N ATOM 2091 CA VAL A 137 -12.758 -3.355 0.168 1.00 61.20 C ATOM 2092 C VAL A 137 -13.835 -2.673 1.041 1.00 3.34 C ATOM 2093 O VAL A 137 -13.727 -1.488 1.362 1.00 3.23 O ATOM 2094 CB VAL A 137 -13.346 -3.643 -1.240 1.00 75.45 C ATOM 2095 CG1 VAL A 137 -13.949 -2.378 -1.853 1.00 54.52 C ATOM 2096 CG2 VAL A 137 -12.276 -4.234 -2.163 1.00 11.21 C ATOM 0 H VAL A 137 -12.172 -5.382 0.147 1.00 52.20 H new ATOM 0 HA VAL A 137 -11.913 -2.672 0.079 1.00 61.20 H new ATOM 0 HB VAL A 137 -14.145 -4.376 -1.127 1.00 75.45 H new ATOM 0 HG11 VAL A 137 -14.353 -2.608 -2.839 1.00 54.52 H new ATOM 0 HG12 VAL A 137 -14.748 -2.008 -1.211 1.00 54.52 H new ATOM 0 HG13 VAL A 137 -13.176 -1.615 -1.947 1.00 54.52 H new ATOM 0 HG21 VAL A 137 -12.709 -4.428 -3.144 1.00 11.21 H new ATOM 0 HG22 VAL A 137 -11.452 -3.528 -2.263 1.00 11.21 H new ATOM 0 HG23 VAL A 137 -11.905 -5.167 -1.739 1.00 11.21 H new ATOM 2106 N LYS A 138 -14.859 -3.426 1.430 1.00 52.21 N ATOM 2107 CA LYS A 138 -15.948 -2.881 2.250 1.00 73.12 C ATOM 2108 C LYS A 138 -15.495 -2.621 3.698 1.00 72.42 C ATOM 2109 O LYS A 138 -15.868 -1.612 4.297 1.00 11.10 O ATOM 2110 CB LYS A 138 -17.153 -3.829 2.241 1.00 61.31 C ATOM 2111 CG LYS A 138 -18.367 -3.279 2.986 1.00 10.11 C ATOM 2112 CD LYS A 138 -19.515 -4.281 3.027 1.00 64.25 C ATOM 2113 CE LYS A 138 -19.144 -5.534 3.813 1.00 23.41 C ATOM 2114 NZ LYS A 138 -20.277 -6.490 3.903 1.00 14.32 N ATOM 0 H LYS A 138 -14.962 -4.413 1.194 1.00 52.21 H new ATOM 0 HA LYS A 138 -16.239 -1.926 1.812 1.00 73.12 H new ATOM 0 HB2 LYS A 138 -17.434 -4.037 1.209 1.00 61.31 H new ATOM 0 HB3 LYS A 138 -16.861 -4.779 2.689 1.00 61.31 H new ATOM 0 HG2 LYS A 138 -18.079 -3.016 4.004 1.00 10.11 H new ATOM 0 HG3 LYS A 138 -18.704 -2.362 2.503 1.00 10.11 H new ATOM 0 HD2 LYS A 138 -20.390 -3.814 3.479 1.00 64.25 H new ATOM 0 HD3 LYS A 138 -19.792 -4.558 2.010 1.00 64.25 H new ATOM 0 HE2 LYS A 138 -18.294 -6.023 3.336 1.00 23.41 H new ATOM 0 HE3 LYS A 138 -18.827 -5.252 4.817 1.00 23.41 H new ATOM 0 HZ1 LYS A 138 -19.982 -7.327 4.445 1.00 14.32 H new ATOM 0 HZ2 LYS A 138 -21.080 -6.033 4.381 1.00 14.32 H new ATOM 0 HZ3 LYS A 138 -20.563 -6.780 2.946 1.00 14.32 H new ATOM 2128 N GLU A 139 -14.680 -3.524 4.254 1.00 14.10 N ATOM 2129 CA GLU A 139 -14.156 -3.356 5.615 1.00 72.13 C ATOM 2130 C GLU A 139 -13.383 -2.034 5.723 1.00 52.52 C ATOM 2131 O GLU A 139 -13.433 -1.335 6.738 1.00 30.25 O ATOM 2132 CB GLU A 139 -13.252 -4.548 5.971 1.00 61.21 C ATOM 2133 CG GLU A 139 -12.548 -4.424 7.316 1.00 3.14 C ATOM 2134 CD GLU A 139 -11.738 -5.666 7.664 1.00 61.44 C ATOM 2135 OE1 GLU A 139 -10.834 -6.028 6.883 1.00 33.24 O ATOM 2136 OE2 GLU A 139 -11.999 -6.281 8.724 1.00 62.34 O ATOM 0 H GLU A 139 -14.370 -4.375 3.786 1.00 14.10 H new ATOM 0 HA GLU A 139 -14.986 -3.324 6.321 1.00 72.13 H new ATOM 0 HB2 GLU A 139 -13.854 -5.457 5.972 1.00 61.21 H new ATOM 0 HB3 GLU A 139 -12.500 -4.664 5.190 1.00 61.21 H new ATOM 0 HG2 GLU A 139 -11.888 -3.556 7.299 1.00 3.14 H new ATOM 0 HG3 GLU A 139 -13.289 -4.246 8.096 1.00 3.14 H new ATOM 2143 N LEU A 140 -12.685 -1.703 4.643 1.00 13.22 N ATOM 2144 CA LEU A 140 -12.008 -0.426 4.486 1.00 11.13 C ATOM 2145 C LEU A 140 -13.021 0.734 4.505 1.00 50.31 C ATOM 2146 O LEU A 140 -12.797 1.756 5.158 1.00 15.13 O ATOM 2147 CB LEU A 140 -11.241 -0.459 3.163 1.00 1.33 C ATOM 2148 CG LEU A 140 -10.058 0.502 3.066 1.00 70.24 C ATOM 2149 CD1 LEU A 140 -9.105 0.046 1.977 1.00 1.04 C ATOM 2150 CD2 LEU A 140 -10.518 1.934 2.809 1.00 32.13 C ATOM 0 H LEU A 140 -12.573 -2.324 3.842 1.00 13.22 H new ATOM 0 HA LEU A 140 -11.317 -0.263 5.313 1.00 11.13 H new ATOM 0 HB2 LEU A 140 -10.877 -1.473 2.999 1.00 1.33 H new ATOM 0 HB3 LEU A 140 -11.936 -0.235 2.354 1.00 1.33 H new ATOM 0 HG LEU A 140 -9.537 0.492 4.023 1.00 70.24 H new ATOM 0 HD11 LEU A 140 -8.265 0.738 1.916 1.00 1.04 H new ATOM 0 HD12 LEU A 140 -8.736 -0.953 2.211 1.00 1.04 H new ATOM 0 HD13 LEU A 140 -9.628 0.025 1.021 1.00 1.04 H new ATOM 0 HD21 LEU A 140 -9.649 2.589 2.746 1.00 32.13 H new ATOM 0 HD22 LEU A 140 -11.073 1.975 1.872 1.00 32.13 H new ATOM 0 HD23 LEU A 140 -11.161 2.262 3.626 1.00 32.13 H new ATOM 2162 N LEU A 141 -14.140 0.561 3.793 1.00 22.33 N ATOM 2163 CA LEU A 141 -15.206 1.575 3.762 1.00 23.33 C ATOM 2164 C LEU A 141 -15.708 1.874 5.180 1.00 22.43 C ATOM 2165 O LEU A 141 -15.886 3.033 5.564 1.00 50.22 O ATOM 2166 CB LEU A 141 -16.385 1.099 2.897 1.00 51.33 C ATOM 2167 CG LEU A 141 -16.032 0.681 1.461 1.00 53.42 C ATOM 2168 CD1 LEU A 141 -17.284 0.227 0.707 1.00 41.14 C ATOM 2169 CD2 LEU A 141 -15.332 1.818 0.724 1.00 1.34 C ATOM 0 H LEU A 141 -14.333 -0.268 3.231 1.00 22.33 H new ATOM 0 HA LEU A 141 -14.788 2.484 3.329 1.00 23.33 H new ATOM 0 HB2 LEU A 141 -16.859 0.254 3.396 1.00 51.33 H new ATOM 0 HB3 LEU A 141 -17.125 1.898 2.852 1.00 51.33 H new ATOM 0 HG LEU A 141 -15.343 -0.162 1.509 1.00 53.42 H new ATOM 0 HD11 LEU A 141 -17.012 -0.065 -0.307 1.00 41.14 H new ATOM 0 HD12 LEU A 141 -17.730 -0.624 1.222 1.00 41.14 H new ATOM 0 HD13 LEU A 141 -18.003 1.046 0.669 1.00 41.14 H new ATOM 0 HD21 LEU A 141 -15.091 1.500 -0.290 1.00 1.34 H new ATOM 0 HD22 LEU A 141 -15.990 2.686 0.686 1.00 1.34 H new ATOM 0 HD23 LEU A 141 -14.414 2.081 1.249 1.00 1.34 H new