USER MOD reduce.3.24.130724 H: found=0, std=0, add=286, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 284 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 Single : A 1 LEU N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 ASN : amide:sc= 0.755 K(o=0.75,f=-0.017) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 9 ASN : amide:sc= 0.548 K(o=0.55,f=-5.2!) USER MOD Single : A 10 SER OG : rot 180:sc= 0.0659 USER MOD Single : A 16 THR OG1 : rot 27:sc= 0.758 USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0.32) USER MOD Single : A 22 LYS NZ :NH3+ -152:sc= -0.254 (180deg=-1.53) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot -89:sc= -1.12 USER MOD Single : A 27 GLN : amide:sc= 0.456 K(o=0.46,f=-4.5!) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot -108:sc= 1.31 USER MOD Single : A 32 TYR OH : rot 120:sc= 0 USER MOD Single : A 34 THR OG1 : rot -160:sc= 0 USER MOD Single : A 36 ASN : amide:sc= -0.133 X(o=-0.13,f=-0.06) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 32.810 31.946 31.277 1.00 0.00 N ATOM 2 CA LEU A 1 33.891 31.613 30.321 1.00 0.00 C ATOM 3 C LEU A 1 33.318 30.887 29.105 1.00 0.00 C ATOM 4 O LEU A 1 33.114 31.543 28.091 1.00 0.00 O ATOM 5 CB LEU A 1 35.118 30.963 30.995 1.00 0.00 C ATOM 6 CG LEU A 1 36.471 31.263 30.337 1.00 0.00 C ATOM 7 CD1 LEU A 1 36.530 30.776 28.899 1.00 0.00 C ATOM 8 CD2 LEU A 1 36.747 32.755 30.452 1.00 0.00 C ATOM 0 H1 LEU A 1 33.213 32.439 32.099 1.00 0.00 H new ATOM 0 H2 LEU A 1 32.113 32.561 30.812 1.00 0.00 H new ATOM 0 H3 LEU A 1 32.344 31.071 31.592 1.00 0.00 H new ATOM 0 HA LEU A 1 34.317 32.536 29.928 1.00 0.00 H new ATOM 0 HB2 LEU A 1 35.158 31.293 32.033 1.00 0.00 H new ATOM 0 HB3 LEU A 1 34.973 29.883 31.010 1.00 0.00 H new ATOM 0 HG LEU A 1 37.254 30.714 30.860 1.00 0.00 H new ATOM 0 HD11 LEU A 1 37.506 31.011 28.475 1.00 0.00 H new ATOM 0 HD12 LEU A 1 36.373 29.698 28.873 1.00 0.00 H new ATOM 0 HD13 LEU A 1 35.753 31.270 28.315 1.00 0.00 H new ATOM 0 HD21 LEU A 1 37.706 32.984 29.988 1.00 0.00 H new ATOM 0 HD22 LEU A 1 35.958 33.311 29.946 1.00 0.00 H new ATOM 0 HD23 LEU A 1 36.775 33.040 31.504 1.00 0.00 H new ATOM 20 N CYS A 2 33.013 29.588 29.206 1.00 0.00 N ATOM 21 CA CYS A 2 32.359 28.787 28.157 1.00 0.00 C ATOM 22 C CYS A 2 31.006 28.219 28.639 1.00 0.00 C ATOM 23 O CYS A 2 30.688 27.058 28.401 1.00 0.00 O ATOM 24 CB CYS A 2 33.321 27.701 27.633 1.00 0.00 C ATOM 25 SG CYS A 2 34.728 28.309 26.663 1.00 0.00 S ATOM 0 H CYS A 2 33.220 29.046 30.045 1.00 0.00 H new ATOM 0 HA CYS A 2 32.123 29.437 27.314 1.00 0.00 H new ATOM 0 HB2 CYS A 2 33.705 27.138 28.484 1.00 0.00 H new ATOM 0 HB3 CYS A 2 32.753 27.002 27.019 1.00 0.00 H new ATOM 30 N ASN A 3 30.210 29.011 29.376 1.00 0.00 N ATOM 31 CA ASN A 3 28.894 28.588 29.876 1.00 0.00 C ATOM 32 C ASN A 3 27.789 28.720 28.802 1.00 0.00 C ATOM 33 O ASN A 3 26.764 28.041 28.881 1.00 0.00 O ATOM 34 CB ASN A 3 28.556 29.437 31.123 1.00 0.00 C ATOM 35 CG ASN A 3 27.534 28.840 32.079 1.00 0.00 C ATOM 36 OD1 ASN A 3 27.685 28.888 33.293 1.00 0.00 O ATOM 37 ND2 ASN A 3 26.438 28.313 31.602 1.00 0.00 N ATOM 0 H ASN A 3 30.462 29.963 29.641 1.00 0.00 H new ATOM 0 HA ASN A 3 28.937 27.531 30.137 1.00 0.00 H new ATOM 0 HB2 ASN A 3 29.478 29.619 31.675 1.00 0.00 H new ATOM 0 HB3 ASN A 3 28.188 30.407 30.789 1.00 0.00 H new ATOM 0 HD21 ASN A 3 25.727 27.951 32.238 1.00 0.00 H new ATOM 0 HD22 ASN A 3 26.293 28.263 30.594 1.00 0.00 H new ATOM 44 N GLU A 4 27.954 29.624 27.836 1.00 0.00 N ATOM 45 CA GLU A 4 26.968 29.876 26.780 1.00 0.00 C ATOM 46 C GLU A 4 26.755 28.641 25.854 1.00 0.00 C ATOM 47 O GLU A 4 27.644 27.792 25.728 1.00 0.00 O ATOM 48 CB GLU A 4 27.361 31.193 26.072 1.00 0.00 C ATOM 49 CG GLU A 4 26.969 32.422 26.935 1.00 0.00 C ATOM 50 CD GLU A 4 28.093 33.433 27.222 1.00 0.00 C ATOM 51 OE1 GLU A 4 29.102 33.060 27.866 1.00 0.00 O ATOM 52 OE2 GLU A 4 27.919 34.637 26.910 1.00 0.00 O ATOM 0 H GLU A 4 28.786 30.210 27.762 1.00 0.00 H new ATOM 0 HA GLU A 4 25.972 30.018 27.199 1.00 0.00 H new ATOM 0 HB2 GLU A 4 28.435 31.203 25.883 1.00 0.00 H new ATOM 0 HB3 GLU A 4 26.866 31.251 25.102 1.00 0.00 H new ATOM 0 HG2 GLU A 4 26.155 32.947 26.435 1.00 0.00 H new ATOM 0 HG3 GLU A 4 26.579 32.062 27.887 1.00 0.00 H new ATOM 59 N PRO A 5 25.566 28.496 25.227 1.00 0.00 N ATOM 60 CA PRO A 5 25.202 27.311 24.437 1.00 0.00 C ATOM 61 C PRO A 5 25.856 27.215 23.047 1.00 0.00 C ATOM 62 O PRO A 5 26.353 28.198 22.499 1.00 0.00 O ATOM 63 CB PRO A 5 23.673 27.380 24.318 1.00 0.00 C ATOM 64 CG PRO A 5 23.399 28.881 24.308 1.00 0.00 C ATOM 65 CD PRO A 5 24.435 29.414 25.298 1.00 0.00 C ATOM 0 HA PRO A 5 25.569 26.416 24.940 1.00 0.00 H new ATOM 0 HB2 PRO A 5 23.317 26.898 23.408 1.00 0.00 H new ATOM 0 HB3 PRO A 5 23.180 26.885 25.155 1.00 0.00 H new ATOM 0 HG2 PRO A 5 23.529 29.310 23.315 1.00 0.00 H new ATOM 0 HG3 PRO A 5 22.381 29.110 24.624 1.00 0.00 H new ATOM 0 HD2 PRO A 5 24.738 30.428 25.038 1.00 0.00 H new ATOM 0 HD3 PRO A 5 24.026 29.453 26.308 1.00 0.00 H new ATOM 73 N CYS A 6 25.779 26.017 22.459 1.00 0.00 N ATOM 74 CA CYS A 6 26.299 25.652 21.131 1.00 0.00 C ATOM 75 C CYS A 6 25.384 24.664 20.372 1.00 0.00 C ATOM 76 O CYS A 6 24.305 24.299 20.848 1.00 0.00 O ATOM 77 CB CYS A 6 27.700 25.049 21.329 1.00 0.00 C ATOM 78 SG CYS A 6 27.771 23.558 22.354 1.00 0.00 S ATOM 0 H CYS A 6 25.327 25.228 22.921 1.00 0.00 H new ATOM 0 HA CYS A 6 26.338 26.549 20.513 1.00 0.00 H new ATOM 0 HB2 CYS A 6 28.117 24.815 20.350 1.00 0.00 H new ATOM 0 HB3 CYS A 6 28.343 25.807 21.777 1.00 0.00 H new ATOM 83 N SER A 7 25.820 24.224 19.187 1.00 0.00 N ATOM 84 CA SER A 7 25.187 23.199 18.343 1.00 0.00 C ATOM 85 C SER A 7 26.208 22.153 17.850 1.00 0.00 C ATOM 86 O SER A 7 25.937 20.951 17.928 1.00 0.00 O ATOM 87 CB SER A 7 24.476 23.881 17.171 1.00 0.00 C ATOM 88 OG SER A 7 23.581 22.978 16.550 1.00 0.00 O ATOM 0 H SER A 7 26.672 24.593 18.765 1.00 0.00 H new ATOM 0 HA SER A 7 24.454 22.657 18.940 1.00 0.00 H new ATOM 0 HB2 SER A 7 23.933 24.757 17.526 1.00 0.00 H new ATOM 0 HB3 SER A 7 25.210 24.233 16.446 1.00 0.00 H new ATOM 0 HG SER A 7 23.131 23.425 15.803 1.00 0.00 H new ATOM 94 N SER A 8 27.409 22.591 17.449 1.00 0.00 N ATOM 95 CA SER A 8 28.563 21.767 17.041 1.00 0.00 C ATOM 96 C SER A 8 29.864 22.294 17.672 1.00 0.00 C ATOM 97 O SER A 8 29.916 23.410 18.180 1.00 0.00 O ATOM 98 CB SER A 8 28.706 21.782 15.509 1.00 0.00 C ATOM 99 OG SER A 8 27.675 21.055 14.870 1.00 0.00 O ATOM 0 H SER A 8 27.617 23.588 17.396 1.00 0.00 H new ATOM 0 HA SER A 8 28.388 20.748 17.387 1.00 0.00 H new ATOM 0 HB2 SER A 8 28.695 22.813 15.155 1.00 0.00 H new ATOM 0 HB3 SER A 8 29.672 21.360 15.232 1.00 0.00 H new ATOM 0 HG SER A 8 27.802 21.091 13.899 1.00 0.00 H new ATOM 105 N ASN A 9 30.960 21.524 17.623 1.00 0.00 N ATOM 106 CA ASN A 9 32.263 21.912 18.208 1.00 0.00 C ATOM 107 C ASN A 9 32.780 23.287 17.740 1.00 0.00 C ATOM 108 O ASN A 9 33.445 24.005 18.483 1.00 0.00 O ATOM 109 CB ASN A 9 33.306 20.815 17.902 1.00 0.00 C ATOM 110 CG ASN A 9 33.046 19.518 18.659 1.00 0.00 C ATOM 111 OD1 ASN A 9 32.328 19.469 19.647 1.00 0.00 O ATOM 112 ND2 ASN A 9 33.570 18.406 18.200 1.00 0.00 N ATOM 0 H ASN A 9 30.973 20.608 17.175 1.00 0.00 H new ATOM 0 HA ASN A 9 32.107 22.009 19.282 1.00 0.00 H new ATOM 0 HB2 ASN A 9 33.306 20.610 16.831 1.00 0.00 H new ATOM 0 HB3 ASN A 9 34.299 21.185 18.156 1.00 0.00 H new ATOM 0 HD21 ASN A 9 33.376 17.520 18.667 1.00 0.00 H new ATOM 0 HD22 ASN A 9 34.172 18.428 17.377 1.00 0.00 H new ATOM 119 N SER A 10 32.452 23.677 16.508 1.00 0.00 N ATOM 120 CA SER A 10 32.884 24.916 15.853 1.00 0.00 C ATOM 121 C SER A 10 32.320 26.183 16.504 1.00 0.00 C ATOM 122 O SER A 10 32.899 27.253 16.337 1.00 0.00 O ATOM 123 CB SER A 10 32.516 24.855 14.363 1.00 0.00 C ATOM 124 OG SER A 10 31.211 24.314 14.190 1.00 0.00 O ATOM 0 H SER A 10 31.849 23.112 15.910 1.00 0.00 H new ATOM 0 HA SER A 10 33.965 24.985 15.971 1.00 0.00 H new ATOM 0 HB2 SER A 10 32.561 25.855 13.931 1.00 0.00 H new ATOM 0 HB3 SER A 10 33.243 24.243 13.828 1.00 0.00 H new ATOM 0 HG SER A 10 30.993 24.284 13.235 1.00 0.00 H new ATOM 130 N ASP A 11 31.249 26.064 17.292 1.00 0.00 N ATOM 131 CA ASP A 11 30.646 27.141 18.087 1.00 0.00 C ATOM 132 C ASP A 11 31.453 27.465 19.366 1.00 0.00 C ATOM 133 O ASP A 11 31.181 28.467 20.027 1.00 0.00 O ATOM 134 CB ASP A 11 29.259 26.670 18.537 1.00 0.00 C ATOM 135 CG ASP A 11 28.225 26.504 17.423 1.00 0.00 C ATOM 136 OD1 ASP A 11 27.979 27.474 16.670 1.00 0.00 O ATOM 137 OD2 ASP A 11 27.595 25.422 17.379 1.00 0.00 O ATOM 0 H ASP A 11 30.756 25.178 17.399 1.00 0.00 H new ATOM 0 HA ASP A 11 30.617 28.035 17.464 1.00 0.00 H new ATOM 0 HB2 ASP A 11 29.368 25.716 19.052 1.00 0.00 H new ATOM 0 HB3 ASP A 11 28.871 27.383 19.265 1.00 0.00 H new ATOM 142 N CYS A 12 32.449 26.636 19.714 1.00 0.00 N ATOM 143 CA CYS A 12 33.232 26.729 20.956 1.00 0.00 C ATOM 144 C CYS A 12 34.750 26.745 20.709 1.00 0.00 C ATOM 145 O CYS A 12 35.550 27.004 21.609 1.00 0.00 O ATOM 146 CB CYS A 12 32.894 25.528 21.847 1.00 0.00 C ATOM 147 SG CYS A 12 31.157 25.111 22.145 1.00 0.00 S ATOM 0 H CYS A 12 32.741 25.859 19.121 1.00 0.00 H new ATOM 0 HA CYS A 12 32.968 27.672 21.434 1.00 0.00 H new ATOM 0 HB2 CYS A 12 33.372 24.651 21.411 1.00 0.00 H new ATOM 0 HB3 CYS A 12 33.362 25.697 22.817 1.00 0.00 H new ATOM 152 N ILE A 13 35.153 26.430 19.480 1.00 0.00 N ATOM 153 CA ILE A 13 36.500 26.471 18.958 1.00 0.00 C ATOM 154 C ILE A 13 37.007 27.920 18.935 1.00 0.00 C ATOM 155 O ILE A 13 36.235 28.858 18.746 1.00 0.00 O ATOM 156 CB ILE A 13 36.412 25.810 17.578 1.00 0.00 C ATOM 157 CG1 ILE A 13 36.602 24.300 17.793 1.00 0.00 C ATOM 158 CG2 ILE A 13 37.440 26.332 16.606 1.00 0.00 C ATOM 159 CD1 ILE A 13 36.464 23.401 16.576 1.00 0.00 C ATOM 0 H ILE A 13 34.487 26.116 18.775 1.00 0.00 H new ATOM 0 HA ILE A 13 37.227 25.937 19.569 1.00 0.00 H new ATOM 0 HB ILE A 13 35.444 26.040 17.134 1.00 0.00 H new ATOM 0 HG12 ILE A 13 37.593 24.142 18.219 1.00 0.00 H new ATOM 0 HG13 ILE A 13 35.878 23.972 18.539 1.00 0.00 H new ATOM 0 HG21 ILE A 13 37.326 25.825 15.648 1.00 0.00 H new ATOM 0 HG22 ILE A 13 37.299 27.404 16.468 1.00 0.00 H new ATOM 0 HG23 ILE A 13 38.440 26.145 16.998 1.00 0.00 H new ATOM 0 HD11 ILE A 13 36.622 22.363 16.870 1.00 0.00 H new ATOM 0 HD12 ILE A 13 35.465 23.510 16.154 1.00 0.00 H new ATOM 0 HD13 ILE A 13 37.206 23.683 15.829 1.00 0.00 H new ATOM 171 N GLY A 14 38.318 28.106 19.090 1.00 0.00 N ATOM 172 CA GLY A 14 39.002 29.405 18.985 1.00 0.00 C ATOM 173 C GLY A 14 38.782 30.376 20.159 1.00 0.00 C ATOM 174 O GLY A 14 39.748 30.917 20.696 1.00 0.00 O ATOM 0 H GLY A 14 38.956 27.338 19.298 1.00 0.00 H new ATOM 0 HA2 GLY A 14 40.072 29.224 18.884 1.00 0.00 H new ATOM 0 HA3 GLY A 14 38.674 29.894 18.068 1.00 0.00 H new ATOM 178 N ILE A 15 37.527 30.598 20.574 1.00 0.00 N ATOM 179 CA ILE A 15 37.118 31.572 21.608 1.00 0.00 C ATOM 180 C ILE A 15 37.828 31.333 22.944 1.00 0.00 C ATOM 181 O ILE A 15 38.104 32.251 23.710 1.00 0.00 O ATOM 182 CB ILE A 15 35.577 31.679 21.705 1.00 0.00 C ATOM 183 CG1 ILE A 15 34.757 30.419 22.054 1.00 0.00 C ATOM 184 CG2 ILE A 15 35.065 32.116 20.332 1.00 0.00 C ATOM 185 CD1 ILE A 15 35.015 29.868 23.446 1.00 0.00 C ATOM 0 H ILE A 15 36.734 30.086 20.186 1.00 0.00 H new ATOM 0 HA ILE A 15 37.456 32.560 21.296 1.00 0.00 H new ATOM 0 HB ILE A 15 35.430 32.362 22.541 1.00 0.00 H new ATOM 0 HG12 ILE A 15 33.697 30.653 21.960 1.00 0.00 H new ATOM 0 HG13 ILE A 15 34.978 29.642 21.322 1.00 0.00 H new ATOM 0 HG21 ILE A 15 33.979 32.203 20.360 1.00 0.00 H new ATOM 0 HG22 ILE A 15 35.500 33.081 20.072 1.00 0.00 H new ATOM 0 HG23 ILE A 15 35.351 31.376 19.585 1.00 0.00 H new ATOM 0 HD11 ILE A 15 34.398 28.984 23.607 1.00 0.00 H new ATOM 0 HD12 ILE A 15 36.067 29.599 23.542 1.00 0.00 H new ATOM 0 HD13 ILE A 15 34.765 30.625 24.189 1.00 0.00 H new ATOM 197 N THR A 16 38.127 30.069 23.208 1.00 0.00 N ATOM 198 CA THR A 16 38.893 29.465 24.278 1.00 0.00 C ATOM 199 C THR A 16 39.287 28.065 23.746 1.00 0.00 C ATOM 200 O THR A 16 38.868 27.653 22.660 1.00 0.00 O ATOM 201 CB THR A 16 38.005 29.457 25.519 1.00 0.00 C ATOM 202 OG1 THR A 16 37.947 30.768 26.023 1.00 0.00 O ATOM 203 CG2 THR A 16 38.506 28.567 26.634 1.00 0.00 C ATOM 0 H THR A 16 37.784 29.342 22.580 1.00 0.00 H new ATOM 0 HA THR A 16 39.805 29.989 24.565 1.00 0.00 H new ATOM 0 HB THR A 16 37.036 29.069 25.205 1.00 0.00 H new ATOM 0 HG1 THR A 16 38.093 31.406 25.293 1.00 0.00 H new ATOM 0 HG21 THR A 16 37.818 28.619 27.478 1.00 0.00 H new ATOM 0 HG22 THR A 16 38.568 27.538 26.279 1.00 0.00 H new ATOM 0 HG23 THR A 16 39.494 28.901 26.950 1.00 0.00 H new ATOM 211 N LEU A 17 40.103 27.292 24.461 1.00 0.00 N ATOM 212 CA LEU A 17 40.430 25.897 24.108 1.00 0.00 C ATOM 213 C LEU A 17 39.243 24.906 24.297 1.00 0.00 C ATOM 214 O LEU A 17 39.393 23.703 24.115 1.00 0.00 O ATOM 215 CB LEU A 17 41.749 25.488 24.773 1.00 0.00 C ATOM 216 CG LEU A 17 41.856 25.679 26.277 1.00 0.00 C ATOM 217 CD1 LEU A 17 40.786 24.844 26.948 1.00 0.00 C ATOM 218 CD2 LEU A 17 43.244 25.166 26.602 1.00 0.00 C ATOM 0 H LEU A 17 40.564 27.613 25.312 1.00 0.00 H new ATOM 0 HA LEU A 17 40.597 25.840 23.032 1.00 0.00 H new ATOM 0 HB2 LEU A 17 41.927 24.435 24.552 1.00 0.00 H new ATOM 0 HB3 LEU A 17 42.554 26.052 24.302 1.00 0.00 H new ATOM 0 HG LEU A 17 41.715 26.706 26.613 1.00 0.00 H new ATOM 0 HD11 LEU A 17 40.850 24.971 28.029 1.00 0.00 H new ATOM 0 HD12 LEU A 17 39.804 25.166 26.603 1.00 0.00 H new ATOM 0 HD13 LEU A 17 40.933 23.794 26.696 1.00 0.00 H new ATOM 0 HD21 LEU A 17 43.425 25.259 27.673 1.00 0.00 H new ATOM 0 HD22 LEU A 17 43.322 24.119 26.311 1.00 0.00 H new ATOM 0 HD23 LEU A 17 43.985 25.750 26.056 1.00 0.00 H new ATOM 230 N CYS A 18 38.051 25.409 24.628 1.00 0.00 N ATOM 231 CA CYS A 18 36.819 24.694 24.979 1.00 0.00 C ATOM 232 C CYS A 18 36.052 24.109 23.772 1.00 0.00 C ATOM 233 O CYS A 18 34.828 24.098 23.751 1.00 0.00 O ATOM 234 CB CYS A 18 35.993 25.643 25.876 1.00 0.00 C ATOM 235 SG CYS A 18 35.006 26.960 25.138 1.00 0.00 S ATOM 0 H CYS A 18 37.910 26.419 24.660 1.00 0.00 H new ATOM 0 HA CYS A 18 37.059 23.786 25.532 1.00 0.00 H new ATOM 0 HB2 CYS A 18 35.316 25.024 26.465 1.00 0.00 H new ATOM 0 HB3 CYS A 18 36.686 26.112 26.575 1.00 0.00 H new ATOM 240 N GLN A 19 36.775 23.589 22.774 1.00 0.00 N ATOM 241 CA GLN A 19 36.316 23.077 21.467 1.00 0.00 C ATOM 242 C GLN A 19 35.312 21.901 21.472 1.00 0.00 C ATOM 243 O GLN A 19 35.083 21.300 20.424 1.00 0.00 O ATOM 244 CB GLN A 19 37.541 22.719 20.610 1.00 0.00 C ATOM 245 CG GLN A 19 38.538 21.728 21.214 1.00 0.00 C ATOM 246 CD GLN A 19 39.699 21.417 20.260 1.00 0.00 C ATOM 247 OE1 GLN A 19 40.005 20.275 19.939 1.00 0.00 O ATOM 248 NE2 GLN A 19 40.403 22.403 19.739 1.00 0.00 N ATOM 0 H GLN A 19 37.788 23.506 22.863 1.00 0.00 H new ATOM 0 HA GLN A 19 35.734 23.898 21.047 1.00 0.00 H new ATOM 0 HB2 GLN A 19 37.186 22.310 19.664 1.00 0.00 H new ATOM 0 HB3 GLN A 19 38.075 23.641 20.379 1.00 0.00 H new ATOM 0 HG2 GLN A 19 38.934 22.136 22.144 1.00 0.00 H new ATOM 0 HG3 GLN A 19 38.020 20.803 21.466 1.00 0.00 H new ATOM 0 HE21 GLN A 19 40.182 23.369 19.979 1.00 0.00 H new ATOM 0 HE22 GLN A 19 41.168 22.199 19.096 1.00 0.00 H new ATOM 257 N PHE A 20 34.691 21.556 22.600 1.00 0.00 N ATOM 258 CA PHE A 20 33.840 20.376 22.724 1.00 0.00 C ATOM 259 C PHE A 20 32.370 20.653 23.092 1.00 0.00 C ATOM 260 O PHE A 20 31.984 20.706 24.260 1.00 0.00 O ATOM 261 CB PHE A 20 34.571 19.416 23.654 1.00 0.00 C ATOM 262 CG PHE A 20 35.988 19.071 23.192 1.00 0.00 C ATOM 263 CD1 PHE A 20 36.178 18.392 21.979 1.00 0.00 C ATOM 264 CD2 PHE A 20 37.126 19.438 23.954 1.00 0.00 C ATOM 265 CE1 PHE A 20 37.473 18.048 21.541 1.00 0.00 C ATOM 266 CE2 PHE A 20 38.412 19.089 23.525 1.00 0.00 C ATOM 267 CZ PHE A 20 38.586 18.380 22.318 1.00 0.00 C ATOM 0 H PHE A 20 34.767 22.095 23.462 1.00 0.00 H new ATOM 0 HA PHE A 20 33.701 19.918 21.745 1.00 0.00 H new ATOM 0 HB2 PHE A 20 34.620 19.856 24.650 1.00 0.00 H new ATOM 0 HB3 PHE A 20 33.992 18.496 23.740 1.00 0.00 H new ATOM 0 HD1 PHE A 20 35.323 18.130 21.374 1.00 0.00 H new ATOM 0 HD2 PHE A 20 37.000 19.991 24.873 1.00 0.00 H new ATOM 0 HE1 PHE A 20 37.605 17.527 20.604 1.00 0.00 H new ATOM 0 HE2 PHE A 20 39.272 19.363 24.119 1.00 0.00 H new ATOM 0 HZ PHE A 20 39.576 18.095 21.995 1.00 0.00 H new ATOM 277 N CYS A 21 31.519 20.759 22.065 1.00 0.00 N ATOM 278 CA CYS A 21 30.075 20.954 22.193 1.00 0.00 C ATOM 279 C CYS A 21 29.342 19.648 22.577 1.00 0.00 C ATOM 280 O CYS A 21 28.904 18.861 21.729 1.00 0.00 O ATOM 281 CB CYS A 21 29.525 21.567 20.904 1.00 0.00 C ATOM 282 SG CYS A 21 27.778 22.021 21.018 1.00 0.00 S ATOM 0 H CYS A 21 31.828 20.710 21.094 1.00 0.00 H new ATOM 0 HA CYS A 21 29.890 21.648 23.013 1.00 0.00 H new ATOM 0 HB2 CYS A 21 30.108 22.453 20.653 1.00 0.00 H new ATOM 0 HB3 CYS A 21 29.657 20.857 20.087 1.00 0.00 H new ATOM 287 N LYS A 22 29.232 19.405 23.883 1.00 0.00 N ATOM 288 CA LYS A 22 28.591 18.251 24.512 1.00 0.00 C ATOM 289 C LYS A 22 27.142 18.483 24.924 1.00 0.00 C ATOM 290 O LYS A 22 26.804 19.513 25.510 1.00 0.00 O ATOM 291 CB LYS A 22 29.423 17.903 25.764 1.00 0.00 C ATOM 292 CG LYS A 22 30.156 16.578 25.619 1.00 0.00 C ATOM 293 CD LYS A 22 29.196 15.401 25.895 1.00 0.00 C ATOM 294 CE LYS A 22 29.723 14.002 25.549 1.00 0.00 C ATOM 295 NZ LYS A 22 30.922 13.628 26.329 1.00 0.00 N ATOM 0 H LYS A 22 29.613 20.051 24.574 1.00 0.00 H new ATOM 0 HA LYS A 22 28.561 17.445 23.779 1.00 0.00 H new ATOM 0 HB2 LYS A 22 30.146 18.697 25.950 1.00 0.00 H new ATOM 0 HB3 LYS A 22 28.767 17.860 26.633 1.00 0.00 H new ATOM 0 HG2 LYS A 22 30.569 16.491 24.614 1.00 0.00 H new ATOM 0 HG3 LYS A 22 30.996 16.541 26.313 1.00 0.00 H new ATOM 0 HD2 LYS A 22 28.931 15.416 26.952 1.00 0.00 H new ATOM 0 HD3 LYS A 22 28.277 15.570 25.334 1.00 0.00 H new ATOM 0 HE2 LYS A 22 28.937 13.269 25.728 1.00 0.00 H new ATOM 0 HE3 LYS A 22 29.961 13.962 24.486 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 31.498 12.958 25.780 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 31.483 14.480 26.534 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 30.630 13.183 27.222 1.00 0.00 H new ATOM 309 N GLU A 23 26.281 17.505 24.637 1.00 0.00 N ATOM 310 CA GLU A 23 24.904 17.499 25.109 1.00 0.00 C ATOM 311 C GLU A 23 24.877 16.951 26.545 1.00 0.00 C ATOM 312 O GLU A 23 25.443 15.893 26.836 1.00 0.00 O ATOM 313 CB GLU A 23 23.993 16.690 24.172 1.00 0.00 C ATOM 314 CG GLU A 23 22.599 16.544 24.713 1.00 0.00 C ATOM 315 CD GLU A 23 22.299 15.297 25.562 1.00 0.00 C ATOM 316 OE1 GLU A 23 22.692 14.163 25.170 1.00 0.00 O ATOM 317 OE2 GLU A 23 21.633 15.435 26.607 1.00 0.00 O ATOM 0 H GLU A 23 26.525 16.694 24.068 1.00 0.00 H new ATOM 0 HA GLU A 23 24.515 18.517 25.109 1.00 0.00 H new ATOM 0 HB2 GLU A 23 23.953 17.178 23.198 1.00 0.00 H new ATOM 0 HB3 GLU A 23 24.424 15.701 24.015 1.00 0.00 H new ATOM 0 HG2 GLU A 23 22.377 17.424 25.316 1.00 0.00 H new ATOM 0 HG3 GLU A 23 21.908 16.553 23.870 1.00 0.00 H new ATOM 324 N LYS A 24 24.249 17.705 27.443 1.00 0.00 N ATOM 325 CA LYS A 24 23.961 17.395 28.840 1.00 0.00 C ATOM 326 C LYS A 24 22.630 18.034 29.217 1.00 0.00 C ATOM 327 O LYS A 24 22.004 18.722 28.413 1.00 0.00 O ATOM 328 CB LYS A 24 25.137 17.875 29.709 1.00 0.00 C ATOM 329 CG LYS A 24 25.410 19.388 29.648 1.00 0.00 C ATOM 330 CD LYS A 24 26.274 19.932 30.808 1.00 0.00 C ATOM 331 CE LYS A 24 27.631 19.230 30.975 1.00 0.00 C ATOM 332 NZ LYS A 24 28.450 19.891 32.024 1.00 0.00 N ATOM 0 H LYS A 24 23.898 18.629 27.189 1.00 0.00 H new ATOM 0 HA LYS A 24 23.861 16.322 29.005 1.00 0.00 H new ATOM 0 HB2 LYS A 24 24.942 17.597 30.745 1.00 0.00 H new ATOM 0 HB3 LYS A 24 26.038 17.345 29.401 1.00 0.00 H new ATOM 0 HG2 LYS A 24 25.906 19.617 28.705 1.00 0.00 H new ATOM 0 HG3 LYS A 24 24.457 19.916 29.644 1.00 0.00 H new ATOM 0 HD2 LYS A 24 26.447 20.996 30.647 1.00 0.00 H new ATOM 0 HD3 LYS A 24 25.713 19.837 31.738 1.00 0.00 H new ATOM 0 HE2 LYS A 24 27.473 18.184 31.238 1.00 0.00 H new ATOM 0 HE3 LYS A 24 28.169 19.242 30.027 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 29.361 19.397 32.116 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 28.619 20.882 31.759 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 27.944 19.857 32.932 1.00 0.00 H new ATOM 346 N THR A 25 22.208 17.832 30.455 1.00 0.00 N ATOM 347 CA THR A 25 21.010 18.474 30.985 1.00 0.00 C ATOM 348 C THR A 25 21.247 19.084 32.356 1.00 0.00 C ATOM 349 O THR A 25 22.286 18.911 33.000 1.00 0.00 O ATOM 350 CB THR A 25 19.795 17.552 30.905 1.00 0.00 C ATOM 351 OG1 THR A 25 18.639 18.073 31.490 1.00 0.00 O ATOM 352 CG2 THR A 25 19.914 16.310 31.708 1.00 0.00 C ATOM 0 H THR A 25 22.682 17.221 31.120 1.00 0.00 H new ATOM 0 HA THR A 25 20.770 19.321 30.343 1.00 0.00 H new ATOM 0 HB THR A 25 19.744 17.403 29.826 1.00 0.00 H new ATOM 0 HG1 THR A 25 18.612 17.826 32.438 1.00 0.00 H new ATOM 0 HG21 THR A 25 19.008 15.715 31.594 1.00 0.00 H new ATOM 0 HG22 THR A 25 20.773 15.734 31.363 1.00 0.00 H new ATOM 0 HG23 THR A 25 20.049 16.567 32.759 1.00 0.00 H new ATOM 360 N ASP A 26 20.256 19.860 32.744 1.00 0.00 N ATOM 361 CA ASP A 26 20.067 20.499 34.021 1.00 0.00 C ATOM 362 C ASP A 26 19.447 19.471 34.985 1.00 0.00 C ATOM 363 O ASP A 26 19.314 18.277 34.698 1.00 0.00 O ATOM 364 CB ASP A 26 19.182 21.748 33.812 1.00 0.00 C ATOM 365 CG ASP A 26 17.775 21.453 33.296 1.00 0.00 C ATOM 366 OD1 ASP A 26 17.390 20.258 33.220 1.00 0.00 O ATOM 367 OD2 ASP A 26 17.089 22.442 32.985 1.00 0.00 O ATOM 0 H ASP A 26 19.490 20.077 32.107 1.00 0.00 H new ATOM 0 HA ASP A 26 21.006 20.836 34.461 1.00 0.00 H new ATOM 0 HB2 ASP A 26 19.103 22.283 34.758 1.00 0.00 H new ATOM 0 HB3 ASP A 26 19.680 22.416 33.109 1.00 0.00 H new ATOM 372 N GLN A 27 19.038 19.951 36.146 1.00 0.00 N ATOM 373 CA GLN A 27 18.330 19.146 37.150 1.00 0.00 C ATOM 374 C GLN A 27 16.878 18.768 36.776 1.00 0.00 C ATOM 375 O GLN A 27 16.247 17.994 37.494 1.00 0.00 O ATOM 376 CB GLN A 27 18.337 19.906 38.486 1.00 0.00 C ATOM 377 CG GLN A 27 17.713 21.310 38.375 1.00 0.00 C ATOM 378 CD GLN A 27 18.782 22.400 38.393 1.00 0.00 C ATOM 379 OE1 GLN A 27 19.587 22.532 37.484 1.00 0.00 O ATOM 380 NE2 GLN A 27 18.866 23.201 39.434 1.00 0.00 N ATOM 0 H GLN A 27 19.185 20.920 36.430 1.00 0.00 H new ATOM 0 HA GLN A 27 18.867 18.200 37.217 1.00 0.00 H new ATOM 0 HB2 GLN A 27 17.790 19.328 39.231 1.00 0.00 H new ATOM 0 HB3 GLN A 27 19.363 19.996 38.843 1.00 0.00 H new ATOM 0 HG2 GLN A 27 17.135 21.381 37.453 1.00 0.00 H new ATOM 0 HG3 GLN A 27 17.018 21.467 39.200 1.00 0.00 H new ATOM 0 HE21 GLN A 27 18.204 23.108 40.204 1.00 0.00 H new ATOM 0 HE22 GLN A 27 19.593 23.915 39.471 1.00 0.00 H new ATOM 389 N TYR A 28 16.327 19.326 35.696 1.00 0.00 N ATOM 390 CA TYR A 28 14.938 19.165 35.257 1.00 0.00 C ATOM 391 C TYR A 28 14.785 18.079 34.188 1.00 0.00 C ATOM 392 O TYR A 28 13.704 17.503 34.044 1.00 0.00 O ATOM 393 CB TYR A 28 14.482 20.507 34.665 1.00 0.00 C ATOM 394 CG TYR A 28 14.417 21.710 35.581 1.00 0.00 C ATOM 395 CD1 TYR A 28 14.140 21.600 36.960 1.00 0.00 C ATOM 396 CD2 TYR A 28 14.629 22.967 34.994 1.00 0.00 C ATOM 397 CE1 TYR A 28 14.031 22.768 37.740 1.00 0.00 C ATOM 398 CE2 TYR A 28 14.497 24.141 35.763 1.00 0.00 C ATOM 399 CZ TYR A 28 14.187 24.037 37.136 1.00 0.00 C ATOM 400 OH TYR A 28 13.985 25.146 37.892 1.00 0.00 O ATOM 0 H TYR A 28 16.862 19.931 35.074 1.00 0.00 H new ATOM 0 HA TYR A 28 14.335 18.865 36.114 1.00 0.00 H new ATOM 0 HB2 TYR A 28 15.153 20.752 33.841 1.00 0.00 H new ATOM 0 HB3 TYR A 28 13.490 20.362 34.236 1.00 0.00 H new ATOM 0 HD1 TYR A 28 14.013 20.628 37.414 1.00 0.00 H new ATOM 0 HD2 TYR A 28 14.894 23.035 33.949 1.00 0.00 H new ATOM 0 HE1 TYR A 28 13.828 22.694 38.798 1.00 0.00 H new ATOM 0 HE2 TYR A 28 14.632 25.110 35.306 1.00 0.00 H new ATOM 0 HH TYR A 28 14.128 25.946 37.344 1.00 0.00 H new ATOM 410 N GLY A 29 15.863 17.795 33.453 1.00 0.00 N ATOM 411 CA GLY A 29 15.872 16.867 32.319 1.00 0.00 C ATOM 412 C GLY A 29 15.817 17.567 30.955 1.00 0.00 C ATOM 413 O GLY A 29 15.554 16.906 29.940 1.00 0.00 O ATOM 0 H GLY A 29 16.775 18.214 33.634 1.00 0.00 H new ATOM 0 HA2 GLY A 29 16.772 16.254 32.368 1.00 0.00 H new ATOM 0 HA3 GLY A 29 15.021 16.191 32.406 1.00 0.00 H new ATOM 417 N LEU A 30 16.033 18.887 30.911 1.00 0.00 N ATOM 418 CA LEU A 30 16.125 19.657 29.677 1.00 0.00 C ATOM 419 C LEU A 30 17.519 19.491 29.122 1.00 0.00 C ATOM 420 O LEU A 30 18.495 20.059 29.599 1.00 0.00 O ATOM 421 CB LEU A 30 15.958 21.145 29.905 1.00 0.00 C ATOM 422 CG LEU A 30 14.542 21.638 30.126 1.00 0.00 C ATOM 423 CD1 LEU A 30 14.088 21.029 31.407 1.00 0.00 C ATOM 424 CD2 LEU A 30 14.679 23.117 30.360 1.00 0.00 C ATOM 0 H LEU A 30 16.150 19.455 31.750 1.00 0.00 H new ATOM 0 HA LEU A 30 15.337 19.296 29.016 1.00 0.00 H new ATOM 0 HB2 LEU A 30 16.557 21.427 30.771 1.00 0.00 H new ATOM 0 HB3 LEU A 30 16.373 21.671 29.045 1.00 0.00 H new ATOM 0 HG LEU A 30 13.863 21.403 29.306 1.00 0.00 H new ATOM 0 HD11 LEU A 30 13.068 21.349 31.621 1.00 0.00 H new ATOM 0 HD12 LEU A 30 14.117 19.943 31.324 1.00 0.00 H new ATOM 0 HD13 LEU A 30 14.746 21.349 32.215 1.00 0.00 H new ATOM 0 HD21 LEU A 30 13.694 23.551 30.529 1.00 0.00 H new ATOM 0 HD22 LEU A 30 15.307 23.290 31.234 1.00 0.00 H new ATOM 0 HD23 LEU A 30 15.136 23.583 29.487 1.00 0.00 H new ATOM 436 N THR A 31 17.594 18.748 28.050 1.00 0.00 N ATOM 437 CA THR A 31 18.834 18.552 27.345 1.00 0.00 C ATOM 438 C THR A 31 19.133 19.827 26.550 1.00 0.00 C ATOM 439 O THR A 31 18.296 20.326 25.786 1.00 0.00 O ATOM 440 CB THR A 31 18.751 17.322 26.438 1.00 0.00 C ATOM 441 OG1 THR A 31 19.106 16.156 27.145 1.00 0.00 O ATOM 442 CG2 THR A 31 19.680 17.515 25.258 1.00 0.00 C ATOM 0 H THR A 31 16.797 18.261 27.640 1.00 0.00 H new ATOM 0 HA THR A 31 19.647 18.366 28.047 1.00 0.00 H new ATOM 0 HB THR A 31 17.726 17.206 26.087 1.00 0.00 H new ATOM 0 HG1 THR A 31 19.981 15.840 26.837 1.00 0.00 H new ATOM 0 HG21 THR A 31 19.627 16.643 24.607 1.00 0.00 H new ATOM 0 HG22 THR A 31 19.381 18.403 24.701 1.00 0.00 H new ATOM 0 HG23 THR A 31 20.702 17.639 25.616 1.00 0.00 H new ATOM 450 N TYR A 32 20.375 20.274 26.657 1.00 0.00 N ATOM 451 CA TYR A 32 20.962 21.380 25.924 1.00 0.00 C ATOM 452 C TYR A 32 22.403 21.031 25.510 1.00 0.00 C ATOM 453 O TYR A 32 23.055 20.160 26.090 1.00 0.00 O ATOM 454 CB TYR A 32 20.857 22.644 26.782 1.00 0.00 C ATOM 455 CG TYR A 32 21.154 22.438 28.249 1.00 0.00 C ATOM 456 CD1 TYR A 32 22.476 22.259 28.636 1.00 0.00 C ATOM 457 CD2 TYR A 32 20.130 22.355 29.212 1.00 0.00 C ATOM 458 CE1 TYR A 32 22.808 22.247 30.005 1.00 0.00 C ATOM 459 CE2 TYR A 32 20.416 22.225 30.567 1.00 0.00 C ATOM 460 CZ TYR A 32 21.781 22.259 30.978 1.00 0.00 C ATOM 461 OH TYR A 32 22.129 22.266 32.290 1.00 0.00 O ATOM 0 H TYR A 32 21.040 19.845 27.300 1.00 0.00 H new ATOM 0 HA TYR A 32 20.423 21.571 24.996 1.00 0.00 H new ATOM 0 HB2 TYR A 32 21.544 23.392 26.388 1.00 0.00 H new ATOM 0 HB3 TYR A 32 19.851 23.052 26.683 1.00 0.00 H new ATOM 0 HD1 TYR A 32 23.246 22.130 27.890 1.00 0.00 H new ATOM 0 HD2 TYR A 32 19.099 22.393 28.891 1.00 0.00 H new ATOM 0 HE1 TYR A 32 23.844 22.229 30.311 1.00 0.00 H new ATOM 0 HE2 TYR A 32 19.623 22.101 31.290 1.00 0.00 H new ATOM 0 HH TYR A 32 21.771 23.071 32.719 1.00 0.00 H new ATOM 471 N ARG A 33 22.933 21.738 24.510 1.00 0.00 N ATOM 472 CA ARG A 33 24.305 21.587 24.008 1.00 0.00 C ATOM 473 C ARG A 33 25.155 22.750 24.501 1.00 0.00 C ATOM 474 O ARG A 33 24.804 23.911 24.300 1.00 0.00 O ATOM 475 CB ARG A 33 24.284 21.443 22.482 1.00 0.00 C ATOM 476 CG ARG A 33 24.107 19.968 22.097 1.00 0.00 C ATOM 477 CD ARG A 33 24.140 19.777 20.576 1.00 0.00 C ATOM 478 NE ARG A 33 22.822 19.991 19.950 1.00 0.00 N ATOM 479 CZ ARG A 33 22.541 19.787 18.676 1.00 0.00 C ATOM 480 NH1 ARG A 33 23.447 19.639 17.757 1.00 0.00 N ATOM 481 NH2 ARG A 33 21.305 19.705 18.289 1.00 0.00 N ATOM 0 H ARG A 33 22.405 22.454 24.010 1.00 0.00 H new ATOM 0 HA ARG A 33 24.763 20.678 24.396 1.00 0.00 H new ATOM 0 HB2 ARG A 33 23.471 22.037 22.063 1.00 0.00 H new ATOM 0 HB3 ARG A 33 25.211 21.829 22.059 1.00 0.00 H new ATOM 0 HG2 ARG A 33 24.897 19.374 22.557 1.00 0.00 H new ATOM 0 HG3 ARG A 33 23.160 19.599 22.491 1.00 0.00 H new ATOM 0 HD2 ARG A 33 24.861 20.469 20.142 1.00 0.00 H new ATOM 0 HD3 ARG A 33 24.488 18.770 20.347 1.00 0.00 H new ATOM 0 HE ARG A 33 22.067 20.323 20.549 1.00 0.00 H new ATOM 0 HH11 ARG A 33 24.436 19.678 18.005 1.00 0.00 H new ATOM 0 HH12 ARG A 33 23.170 19.484 16.788 1.00 0.00 H new ATOM 0 HH21 ARG A 33 20.550 19.798 18.969 1.00 0.00 H new ATOM 0 HH22 ARG A 33 21.088 19.547 17.305 1.00 0.00 H new ATOM 495 N THR A 34 26.247 22.428 25.191 1.00 0.00 N ATOM 496 CA THR A 34 27.129 23.398 25.862 1.00 0.00 C ATOM 497 C THR A 34 28.609 23.116 25.626 1.00 0.00 C ATOM 498 O THR A 34 29.011 21.976 25.390 1.00 0.00 O ATOM 499 CB THR A 34 26.842 23.418 27.375 1.00 0.00 C ATOM 500 OG1 THR A 34 26.881 22.118 27.931 1.00 0.00 O ATOM 501 CG2 THR A 34 25.464 24.015 27.657 1.00 0.00 C ATOM 0 H THR A 34 26.556 21.463 25.306 1.00 0.00 H new ATOM 0 HA THR A 34 26.912 24.373 25.425 1.00 0.00 H new ATOM 0 HB THR A 34 27.619 24.030 27.832 1.00 0.00 H new ATOM 0 HG1 THR A 34 26.399 22.113 28.784 1.00 0.00 H new ATOM 0 HG21 THR A 34 25.282 24.019 28.732 1.00 0.00 H new ATOM 0 HG22 THR A 34 25.426 25.036 27.278 1.00 0.00 H new ATOM 0 HG23 THR A 34 24.700 23.416 27.162 1.00 0.00 H new ATOM 509 N CYS A 35 29.421 24.169 25.703 1.00 0.00 N ATOM 510 CA CYS A 35 30.866 24.130 25.465 1.00 0.00 C ATOM 511 C CYS A 35 31.630 23.502 26.653 1.00 0.00 C ATOM 512 O CYS A 35 32.178 24.197 27.513 1.00 0.00 O ATOM 513 CB CYS A 35 31.346 25.553 25.148 1.00 0.00 C ATOM 514 SG CYS A 35 30.624 26.341 23.676 1.00 0.00 S ATOM 0 H CYS A 35 29.083 25.102 25.940 1.00 0.00 H new ATOM 0 HA CYS A 35 31.077 23.485 24.612 1.00 0.00 H new ATOM 0 HB2 CYS A 35 31.136 26.185 26.011 1.00 0.00 H new ATOM 0 HB3 CYS A 35 32.429 25.529 25.026 1.00 0.00 H new ATOM 519 N ASN A 36 31.638 22.168 26.727 1.00 0.00 N ATOM 520 CA ASN A 36 32.340 21.412 27.763 1.00 0.00 C ATOM 521 C ASN A 36 33.867 21.468 27.554 1.00 0.00 C ATOM 522 O ASN A 36 34.362 21.714 26.455 1.00 0.00 O ATOM 523 CB ASN A 36 31.828 19.953 27.756 1.00 0.00 C ATOM 524 CG ASN A 36 32.342 19.164 28.948 1.00 0.00 C ATOM 525 OD1 ASN A 36 32.147 19.543 30.090 1.00 0.00 O ATOM 526 ND2 ASN A 36 33.045 18.076 28.739 1.00 0.00 N ATOM 0 H ASN A 36 31.148 21.575 26.057 1.00 0.00 H new ATOM 0 HA ASN A 36 32.135 21.859 28.736 1.00 0.00 H new ATOM 0 HB2 ASN A 36 30.738 19.951 27.763 1.00 0.00 H new ATOM 0 HB3 ASN A 36 32.142 19.463 26.834 1.00 0.00 H new ATOM 0 HD21 ASN A 36 33.424 17.554 29.529 1.00 0.00 H new ATOM 0 HD22 ASN A 36 33.213 17.752 27.786 1.00 0.00 H new ATOM 533 N LEU A 37 34.635 21.179 28.608 1.00 0.00 N ATOM 534 CA LEU A 37 36.085 21.067 28.543 1.00 0.00 C ATOM 535 C LEU A 37 36.568 19.889 27.671 1.00 0.00 C ATOM 536 O LEU A 37 37.729 19.888 27.278 1.00 0.00 O ATOM 537 CB LEU A 37 36.613 20.924 29.996 1.00 0.00 C ATOM 538 CG LEU A 37 37.366 22.079 30.623 1.00 0.00 C ATOM 539 CD1 LEU A 37 38.563 22.325 29.747 1.00 0.00 C ATOM 540 CD2 LEU A 37 36.418 23.245 30.733 1.00 0.00 C ATOM 0 H LEU A 37 34.257 21.015 29.541 1.00 0.00 H new ATOM 0 HA LEU A 37 36.480 21.963 28.065 1.00 0.00 H new ATOM 0 HB2 LEU A 37 35.759 20.703 30.636 1.00 0.00 H new ATOM 0 HB3 LEU A 37 37.266 20.052 30.024 1.00 0.00 H new ATOM 0 HG LEU A 37 37.727 21.888 31.633 1.00 0.00 H new ATOM 0 HD11 LEU A 37 39.147 23.152 30.152 1.00 0.00 H new ATOM 0 HD12 LEU A 37 39.180 21.427 29.714 1.00 0.00 H new ATOM 0 HD13 LEU A 37 38.231 22.575 28.739 1.00 0.00 H new ATOM 0 HD21 LEU A 37 36.935 24.093 31.182 1.00 0.00 H new ATOM 0 HD22 LEU A 37 36.064 23.521 29.740 1.00 0.00 H new ATOM 0 HD23 LEU A 37 35.569 22.966 31.357 1.00 0.00 H new ATOM 552 N LEU A 38 35.709 18.895 27.389 1.00 0.00 N ATOM 553 CA LEU A 38 36.022 17.647 26.669 1.00 0.00 C ATOM 554 C LEU A 38 34.859 17.079 25.827 1.00 0.00 C ATOM 555 O LEU A 38 33.702 17.401 26.119 1.00 0.00 O ATOM 556 CB LEU A 38 36.468 16.597 27.700 1.00 0.00 C ATOM 557 CG LEU A 38 37.794 16.866 28.400 1.00 0.00 C ATOM 558 CD1 LEU A 38 37.973 15.753 29.426 1.00 0.00 C ATOM 559 CD2 LEU A 38 38.873 16.833 27.341 1.00 0.00 C ATOM 0 H LEU A 38 34.730 18.941 27.670 1.00 0.00 H new ATOM 0 HA LEU A 38 36.809 17.885 25.954 1.00 0.00 H new ATOM 0 HB2 LEU A 38 35.691 16.510 28.459 1.00 0.00 H new ATOM 0 HB3 LEU A 38 36.534 15.631 27.199 1.00 0.00 H new ATOM 0 HG LEU A 38 37.835 17.831 28.906 1.00 0.00 H new ATOM 0 HD11 LEU A 38 38.913 15.897 29.959 1.00 0.00 H new ATOM 0 HD12 LEU A 38 37.146 15.776 30.135 1.00 0.00 H new ATOM 0 HD13 LEU A 38 37.989 14.789 28.918 1.00 0.00 H new ATOM 0 HD21 LEU A 38 39.842 17.022 27.803 1.00 0.00 H new ATOM 0 HD22 LEU A 38 38.884 15.854 26.863 1.00 0.00 H new ATOM 0 HD23 LEU A 38 38.672 17.600 26.593 1.00 0.00 H new ATOM 571 N PRO A 39 35.151 16.238 24.806 1.00 0.00 N ATOM 572 CA PRO A 39 34.158 15.691 23.874 1.00 0.00 C ATOM 573 C PRO A 39 33.245 14.625 24.490 1.00 0.00 C ATOM 574 O PRO A 39 32.220 14.308 23.846 1.00 0.00 O ATOM 575 CB PRO A 39 34.960 15.165 22.680 1.00 0.00 C ATOM 576 CG PRO A 39 36.297 14.769 23.295 1.00 0.00 C ATOM 577 CD PRO A 39 36.484 15.781 24.425 1.00 0.00 C ATOM 0 HA PRO A 39 33.454 16.467 23.574 1.00 0.00 H new ATOM 0 HB2 PRO A 39 34.467 14.314 22.209 1.00 0.00 H new ATOM 0 HB3 PRO A 39 35.082 15.928 21.911 1.00 0.00 H new ATOM 0 HG2 PRO A 39 36.278 13.746 23.671 1.00 0.00 H new ATOM 0 HG3 PRO A 39 37.106 14.826 22.567 1.00 0.00 H new ATOM 0 HD2 PRO A 39 36.993 15.324 25.273 1.00 0.00 H new ATOM 0 HD3 PRO A 39 37.100 16.618 24.097 1.00 0.00 H new TER 585 PRO A 39