USER MOD reduce.3.24.130724 H: found=0, std=0, add=439, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 438 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 26 LYS NZ :NH3+ 178:sc= 0.516 (180deg=0.515) USER MOD Set 1.2: A 32 LYS NZ :NH3+ 162:sc= 0.642 (180deg=-0.0273) USER MOD Set 2.1: A 20 THR OG1 : rot 130:sc= 1.15 USER MOD Set 2.2: A 23 THR OG1 : rot -160:sc= 0.386 USER MOD Set 3.1: A 15 SER OG : rot -150:sc= -0.356 USER MOD Set 3.2: A 35 ASN : amide:sc= -3.08! X(o=-3.4!,f=-3.7) USER MOD Set 4.1: A 9 THR OG1 : rot 180:sc= 0 USER MOD Set 4.2: A 11 GLN : amide:sc= 0.101 K(o=0.1,f=-0.46) USER MOD Single : A 1 ASN : amide:sc= -2.32 K(o=-2.3,f=-0.35) USER MOD Single : A 1 ASN N :NH3+ 130:sc= 0.094 (180deg=-0.133) USER MOD Single : A 8 GLN : amide:sc= -6.67! C(o=-6.7!,f=-8.8!) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot -19:sc= 0.985 USER MOD Single : A 19 LYS NZ :NH3+ 172:sc= -5.85! (180deg=-6.01!) USER MOD Single : A 25 ASN : amide:sc= -1.79! K(o=-1.8!,f=0.17) USER MOD Single : A 33 LYS NZ :NH3+ 166:sc= -0.0397 (180deg=-0.323) USER MOD Single : A 36 GLN : amide:sc= -1.75! C(o=-1.8!,f=-2.3!) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot -31:sc= -0.662 USER MOD Single : A 47 LYS NZ :NH3+ 179:sc= -0.428 (180deg=-0.429) USER MOD Single : A 48 SER OG : rot 180:sc= -0.0542 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 SER OG : rot 90:sc= 0.293 USER MOD Single : A 52 SER OG : rot -60:sc= 0.704 USER MOD Single : A 56 HIS : no HE2:sc= 0.105 K(o=0.11,f=-0.56) USER MOD Single : A 58 SER OG : rot 180:sc= -0.34 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 1 32.638 17.518 -12.107 1.00 0.00 N ATOM 2 CA ASN A 1 33.315 18.444 -11.156 1.00 0.00 C ATOM 3 C ASN A 1 34.790 18.044 -10.988 1.00 0.00 C ATOM 4 O ASN A 1 35.269 17.134 -11.637 1.00 0.00 O ATOM 5 CB ASN A 1 32.597 18.394 -9.783 1.00 0.00 C ATOM 6 CG ASN A 1 32.656 16.970 -9.209 1.00 0.00 C ATOM 7 OD1 ASN A 1 31.706 16.217 -9.282 1.00 0.00 O ATOM 8 ND2 ASN A 1 33.755 16.566 -8.634 1.00 0.00 N ATOM 0 H1 ASN A 1 31.754 17.170 -11.683 1.00 0.00 H new ATOM 0 H2 ASN A 1 32.423 18.023 -12.990 1.00 0.00 H new ATOM 0 H3 ASN A 1 33.264 16.713 -12.312 1.00 0.00 H new ATOM 0 HA ASN A 1 33.269 19.458 -11.552 1.00 0.00 H new ATOM 0 HB2 ASN A 1 33.068 19.093 -9.092 1.00 0.00 H new ATOM 0 HB3 ASN A 1 31.559 18.707 -9.895 1.00 0.00 H new ATOM 0 HD21 ASN A 1 33.812 15.623 -8.249 1.00 0.00 H new ATOM 0 HD22 ASN A 1 34.557 17.193 -8.569 1.00 0.00 H new ATOM 17 N PHE A 2 35.459 18.748 -10.112 1.00 0.00 N ATOM 18 CA PHE A 2 36.903 18.485 -9.829 1.00 0.00 C ATOM 19 C PHE A 2 37.247 18.939 -8.400 1.00 0.00 C ATOM 20 O PHE A 2 38.364 19.327 -8.109 1.00 0.00 O ATOM 21 CB PHE A 2 37.752 19.247 -10.888 1.00 0.00 C ATOM 22 CG PHE A 2 37.448 20.759 -10.854 1.00 0.00 C ATOM 23 CD1 PHE A 2 36.369 21.270 -11.555 1.00 0.00 C ATOM 24 CD2 PHE A 2 38.243 21.625 -10.127 1.00 0.00 C ATOM 25 CE1 PHE A 2 36.094 22.621 -11.531 1.00 0.00 C ATOM 26 CE2 PHE A 2 37.968 22.975 -10.101 1.00 0.00 C ATOM 27 CZ PHE A 2 36.893 23.475 -10.803 1.00 0.00 C ATOM 0 H PHE A 2 35.056 19.511 -9.569 1.00 0.00 H new ATOM 0 HA PHE A 2 37.122 17.419 -9.895 1.00 0.00 H new ATOM 0 HB2 PHE A 2 38.812 19.081 -10.698 1.00 0.00 H new ATOM 0 HB3 PHE A 2 37.541 18.852 -11.882 1.00 0.00 H new ATOM 0 HD1 PHE A 2 35.737 20.605 -12.125 1.00 0.00 H new ATOM 0 HD2 PHE A 2 39.087 21.240 -9.574 1.00 0.00 H new ATOM 0 HE1 PHE A 2 35.251 23.010 -12.083 1.00 0.00 H new ATOM 0 HE2 PHE A 2 38.596 23.642 -9.529 1.00 0.00 H new ATOM 0 HZ PHE A 2 36.677 24.533 -10.783 1.00 0.00 H new ATOM 37 N VAL A 3 36.256 18.868 -7.547 1.00 0.00 N ATOM 38 CA VAL A 3 36.432 19.276 -6.119 1.00 0.00 C ATOM 39 C VAL A 3 37.430 18.351 -5.413 1.00 0.00 C ATOM 40 O VAL A 3 37.478 17.157 -5.635 1.00 0.00 O ATOM 41 CB VAL A 3 35.031 19.239 -5.423 1.00 0.00 C ATOM 42 CG1 VAL A 3 34.432 17.813 -5.421 1.00 0.00 C ATOM 43 CG2 VAL A 3 35.131 19.766 -3.974 1.00 0.00 C ATOM 0 H VAL A 3 35.319 18.540 -7.783 1.00 0.00 H new ATOM 0 HA VAL A 3 36.838 20.286 -6.063 1.00 0.00 H new ATOM 0 HB VAL A 3 34.367 19.885 -5.996 1.00 0.00 H new ATOM 0 HG11 VAL A 3 33.459 17.828 -4.929 1.00 0.00 H new ATOM 0 HG12 VAL A 3 34.314 17.466 -6.448 1.00 0.00 H new ATOM 0 HG13 VAL A 3 35.100 17.139 -4.885 1.00 0.00 H new ATOM 0 HG21 VAL A 3 34.147 19.733 -3.506 1.00 0.00 H new ATOM 0 HG22 VAL A 3 35.824 19.144 -3.407 1.00 0.00 H new ATOM 0 HG23 VAL A 3 35.493 20.794 -3.985 1.00 0.00 H new ATOM 53 N CYS A 4 38.197 18.988 -4.573 1.00 0.00 N ATOM 54 CA CYS A 4 39.249 18.313 -3.763 1.00 0.00 C ATOM 55 C CYS A 4 38.634 17.609 -2.535 1.00 0.00 C ATOM 56 O CYS A 4 37.432 17.628 -2.349 1.00 0.00 O ATOM 57 CB CYS A 4 40.212 19.371 -3.313 1.00 0.00 C ATOM 58 SG CYS A 4 41.152 20.351 -4.504 1.00 0.00 S ATOM 0 H CYS A 4 38.133 19.993 -4.409 1.00 0.00 H new ATOM 0 HA CYS A 4 39.750 17.552 -4.361 1.00 0.00 H new ATOM 0 HB2 CYS A 4 39.649 20.073 -2.698 1.00 0.00 H new ATOM 0 HB3 CYS A 4 40.936 18.885 -2.660 1.00 0.00 H new ATOM 63 N PRO A 5 39.479 17.004 -1.732 1.00 0.00 N ATOM 64 CA PRO A 5 39.230 16.835 -0.297 1.00 0.00 C ATOM 65 C PRO A 5 39.783 18.007 0.535 1.00 0.00 C ATOM 66 O PRO A 5 40.446 18.878 -0.002 1.00 0.00 O ATOM 67 CB PRO A 5 40.006 15.547 0.055 1.00 0.00 C ATOM 68 CG PRO A 5 40.747 15.155 -1.196 1.00 0.00 C ATOM 69 CD PRO A 5 40.770 16.388 -2.066 1.00 0.00 C ATOM 0 HA PRO A 5 38.163 16.791 -0.079 1.00 0.00 H new ATOM 0 HB2 PRO A 5 40.697 15.721 0.880 1.00 0.00 H new ATOM 0 HB3 PRO A 5 39.326 14.755 0.370 1.00 0.00 H new ATOM 0 HG2 PRO A 5 41.759 14.822 -0.963 1.00 0.00 H new ATOM 0 HG3 PRO A 5 40.249 14.329 -1.703 1.00 0.00 H new ATOM 0 HD2 PRO A 5 41.610 17.041 -1.830 1.00 0.00 H new ATOM 0 HD3 PRO A 5 40.846 16.142 -3.125 1.00 0.00 H new ATOM 77 N PRO A 6 39.499 17.988 1.816 1.00 0.00 N ATOM 78 CA PRO A 6 40.036 18.966 2.783 1.00 0.00 C ATOM 79 C PRO A 6 41.560 19.094 2.688 1.00 0.00 C ATOM 80 O PRO A 6 42.226 18.106 2.453 1.00 0.00 O ATOM 81 CB PRO A 6 39.645 18.352 4.147 1.00 0.00 C ATOM 82 CG PRO A 6 39.276 16.939 3.829 1.00 0.00 C ATOM 83 CD PRO A 6 38.626 17.020 2.509 1.00 0.00 C ATOM 0 HA PRO A 6 39.647 19.970 2.613 1.00 0.00 H new ATOM 0 HB2 PRO A 6 40.473 18.396 4.854 1.00 0.00 H new ATOM 0 HB3 PRO A 6 38.811 18.888 4.599 1.00 0.00 H new ATOM 0 HG2 PRO A 6 40.155 16.295 3.801 1.00 0.00 H new ATOM 0 HG3 PRO A 6 38.602 16.525 4.579 1.00 0.00 H new ATOM 0 HD2 PRO A 6 38.600 16.055 2.004 1.00 0.00 H new ATOM 0 HD3 PRO A 6 37.596 17.371 2.579 1.00 0.00 H new ATOM 91 N GLY A 7 42.041 20.295 2.868 1.00 0.00 N ATOM 92 CA GLY A 7 43.512 20.545 2.804 1.00 0.00 C ATOM 93 C GLY A 7 44.078 20.687 1.381 1.00 0.00 C ATOM 94 O GLY A 7 45.201 21.131 1.241 1.00 0.00 O ATOM 0 H GLY A 7 41.474 21.121 3.058 1.00 0.00 H new ATOM 0 HA2 GLY A 7 43.737 21.454 3.362 1.00 0.00 H new ATOM 0 HA3 GLY A 7 44.028 19.727 3.306 1.00 0.00 H new ATOM 98 N GLN A 8 43.323 20.311 0.373 1.00 0.00 N ATOM 99 CA GLN A 8 43.840 20.434 -1.032 1.00 0.00 C ATOM 100 C GLN A 8 42.956 21.357 -1.904 1.00 0.00 C ATOM 101 O GLN A 8 41.755 21.419 -1.724 1.00 0.00 O ATOM 102 CB GLN A 8 43.908 19.030 -1.708 1.00 0.00 C ATOM 103 CG GLN A 8 44.836 17.988 -1.020 1.00 0.00 C ATOM 104 CD GLN A 8 44.356 17.542 0.371 1.00 0.00 C ATOM 105 OE1 GLN A 8 44.765 18.057 1.391 1.00 0.00 O ATOM 106 NE2 GLN A 8 43.486 16.576 0.471 1.00 0.00 N ATOM 0 H GLN A 8 42.381 19.928 0.459 1.00 0.00 H new ATOM 0 HA GLN A 8 44.835 20.874 -0.962 1.00 0.00 H new ATOM 0 HB2 GLN A 8 42.899 18.619 -1.748 1.00 0.00 H new ATOM 0 HB3 GLN A 8 44.241 19.160 -2.738 1.00 0.00 H new ATOM 0 HG2 GLN A 8 44.919 17.111 -1.662 1.00 0.00 H new ATOM 0 HG3 GLN A 8 45.836 18.412 -0.929 1.00 0.00 H new ATOM 0 HE21 GLN A 8 43.125 16.125 -0.370 1.00 0.00 H new ATOM 0 HE22 GLN A 8 43.166 16.271 1.390 1.00 0.00 H new ATOM 115 N THR A 9 43.605 22.044 -2.818 1.00 0.00 N ATOM 116 CA THR A 9 42.946 23.004 -3.780 1.00 0.00 C ATOM 117 C THR A 9 43.236 22.671 -5.262 1.00 0.00 C ATOM 118 O THR A 9 44.212 22.013 -5.562 1.00 0.00 O ATOM 119 CB THR A 9 43.452 24.437 -3.504 1.00 0.00 C ATOM 120 OG1 THR A 9 44.868 24.363 -3.630 1.00 0.00 O ATOM 121 CG2 THR A 9 43.207 24.862 -2.061 1.00 0.00 C ATOM 0 H THR A 9 44.615 21.977 -2.944 1.00 0.00 H new ATOM 0 HA THR A 9 41.871 22.917 -3.619 1.00 0.00 H new ATOM 0 HB THR A 9 42.950 25.132 -4.178 1.00 0.00 H new ATOM 0 HG1 THR A 9 45.258 25.247 -3.467 1.00 0.00 H new ATOM 0 HG21 THR A 9 43.579 25.876 -1.912 1.00 0.00 H new ATOM 0 HG22 THR A 9 42.138 24.833 -1.850 1.00 0.00 H new ATOM 0 HG23 THR A 9 43.729 24.182 -1.388 1.00 0.00 H new ATOM 129 N PHE A 10 42.380 23.143 -6.140 1.00 0.00 N ATOM 130 CA PHE A 10 42.546 22.898 -7.615 1.00 0.00 C ATOM 131 C PHE A 10 43.794 23.641 -8.116 1.00 0.00 C ATOM 132 O PHE A 10 44.068 24.737 -7.665 1.00 0.00 O ATOM 133 CB PHE A 10 41.290 23.397 -8.342 1.00 0.00 C ATOM 134 CG PHE A 10 41.462 23.240 -9.863 1.00 0.00 C ATOM 135 CD1 PHE A 10 41.513 21.988 -10.451 1.00 0.00 C ATOM 136 CD2 PHE A 10 41.567 24.363 -10.663 1.00 0.00 C ATOM 137 CE1 PHE A 10 41.665 21.865 -11.815 1.00 0.00 C ATOM 138 CE2 PHE A 10 41.720 24.240 -12.026 1.00 0.00 C ATOM 139 CZ PHE A 10 41.769 22.992 -12.603 1.00 0.00 C ATOM 0 H PHE A 10 41.559 23.697 -5.895 1.00 0.00 H new ATOM 0 HA PHE A 10 42.674 21.834 -7.813 1.00 0.00 H new ATOM 0 HB2 PHE A 10 40.419 22.834 -8.007 1.00 0.00 H new ATOM 0 HB3 PHE A 10 41.109 24.443 -8.095 1.00 0.00 H new ATOM 0 HD1 PHE A 10 41.433 21.103 -9.837 1.00 0.00 H new ATOM 0 HD2 PHE A 10 41.529 25.345 -10.215 1.00 0.00 H new ATOM 0 HE1 PHE A 10 41.703 20.885 -12.267 1.00 0.00 H new ATOM 0 HE2 PHE A 10 41.802 25.123 -12.642 1.00 0.00 H new ATOM 0 HZ PHE A 10 41.889 22.895 -13.672 1.00 0.00 H new ATOM 149 N GLN A 11 44.504 23.028 -9.034 1.00 0.00 N ATOM 150 CA GLN A 11 45.748 23.643 -9.596 1.00 0.00 C ATOM 151 C GLN A 11 45.934 23.188 -11.032 1.00 0.00 C ATOM 152 O GLN A 11 45.440 22.154 -11.441 1.00 0.00 O ATOM 153 CB GLN A 11 46.979 23.209 -8.730 1.00 0.00 C ATOM 154 CG GLN A 11 46.783 23.720 -7.280 1.00 0.00 C ATOM 155 CD GLN A 11 47.927 23.375 -6.324 1.00 0.00 C ATOM 156 OE1 GLN A 11 48.916 22.756 -6.663 1.00 0.00 O ATOM 157 NE2 GLN A 11 47.790 23.785 -5.091 1.00 0.00 N ATOM 0 H GLN A 11 44.270 22.114 -9.423 1.00 0.00 H new ATOM 0 HA GLN A 11 45.663 24.729 -9.576 1.00 0.00 H new ATOM 0 HB2 GLN A 11 47.079 22.124 -8.736 1.00 0.00 H new ATOM 0 HB3 GLN A 11 47.898 23.616 -9.152 1.00 0.00 H new ATOM 0 HG2 GLN A 11 46.661 24.803 -7.304 1.00 0.00 H new ATOM 0 HG3 GLN A 11 45.857 23.303 -6.884 1.00 0.00 H new ATOM 0 HE21 GLN A 11 46.956 24.304 -4.816 1.00 0.00 H new ATOM 0 HE22 GLN A 11 48.517 23.586 -4.404 1.00 0.00 H new ATOM 166 N THR A 12 46.660 24.006 -11.745 1.00 0.00 N ATOM 167 CA THR A 12 46.950 23.728 -13.177 1.00 0.00 C ATOM 168 C THR A 12 48.074 22.696 -13.231 1.00 0.00 C ATOM 169 O THR A 12 47.915 21.657 -13.841 1.00 0.00 O ATOM 170 CB THR A 12 47.365 25.045 -13.835 1.00 0.00 C ATOM 171 OG1 THR A 12 46.247 25.904 -13.652 1.00 0.00 O ATOM 172 CG2 THR A 12 47.460 24.879 -15.342 1.00 0.00 C ATOM 0 H THR A 12 47.070 24.869 -11.388 1.00 0.00 H new ATOM 0 HA THR A 12 46.084 23.331 -13.707 1.00 0.00 H new ATOM 0 HB THR A 12 48.312 25.393 -13.423 1.00 0.00 H new ATOM 0 HG1 THR A 12 46.438 26.779 -14.050 1.00 0.00 H new ATOM 0 HG21 THR A 12 47.756 25.825 -15.794 1.00 0.00 H new ATOM 0 HG22 THR A 12 48.202 24.116 -15.578 1.00 0.00 H new ATOM 0 HG23 THR A 12 46.490 24.576 -15.737 1.00 0.00 H new ATOM 180 N CYS A 13 49.175 23.014 -12.595 1.00 0.00 N ATOM 181 CA CYS A 13 50.321 22.063 -12.586 1.00 0.00 C ATOM 182 C CYS A 13 50.292 21.184 -11.346 1.00 0.00 C ATOM 183 O CYS A 13 50.845 21.506 -10.312 1.00 0.00 O ATOM 184 CB CYS A 13 51.651 22.846 -12.660 1.00 0.00 C ATOM 185 SG CYS A 13 52.018 23.541 -14.288 1.00 0.00 S ATOM 0 H CYS A 13 49.326 23.885 -12.086 1.00 0.00 H new ATOM 0 HA CYS A 13 50.238 21.414 -13.458 1.00 0.00 H new ATOM 0 HB2 CYS A 13 51.623 23.655 -11.931 1.00 0.00 H new ATOM 0 HB3 CYS A 13 52.466 22.183 -12.369 1.00 0.00 H new ATOM 190 N ALA A 14 49.619 20.076 -11.522 1.00 0.00 N ATOM 191 CA ALA A 14 49.474 19.082 -10.425 1.00 0.00 C ATOM 192 C ALA A 14 49.100 17.731 -11.008 1.00 0.00 C ATOM 193 O ALA A 14 47.944 17.400 -11.176 1.00 0.00 O ATOM 194 CB ALA A 14 48.392 19.592 -9.463 1.00 0.00 C ATOM 0 H ALA A 14 49.158 19.817 -12.394 1.00 0.00 H new ATOM 0 HA ALA A 14 50.411 18.961 -9.882 1.00 0.00 H new ATOM 0 HB1 ALA A 14 48.265 18.880 -8.647 1.00 0.00 H new ATOM 0 HB2 ALA A 14 48.692 20.559 -9.058 1.00 0.00 H new ATOM 0 HB3 ALA A 14 47.450 19.700 -10.000 1.00 0.00 H new ATOM 200 N SER A 15 50.138 16.992 -11.287 1.00 0.00 N ATOM 201 CA SER A 15 49.982 15.638 -11.873 1.00 0.00 C ATOM 202 C SER A 15 49.616 14.556 -10.865 1.00 0.00 C ATOM 203 O SER A 15 49.582 14.768 -9.669 1.00 0.00 O ATOM 204 CB SER A 15 51.282 15.295 -12.553 1.00 0.00 C ATOM 205 OG SER A 15 51.093 14.077 -13.258 1.00 0.00 O ATOM 0 H SER A 15 51.104 17.278 -11.129 1.00 0.00 H new ATOM 0 HA SER A 15 49.144 15.667 -12.570 1.00 0.00 H new ATOM 0 HB2 SER A 15 51.577 16.091 -13.237 1.00 0.00 H new ATOM 0 HB3 SER A 15 52.082 15.192 -11.819 1.00 0.00 H new ATOM 0 HG SER A 15 51.942 13.589 -13.300 1.00 0.00 H new ATOM 211 N SER A 16 49.358 13.413 -11.440 1.00 0.00 N ATOM 212 CA SER A 16 48.978 12.198 -10.683 1.00 0.00 C ATOM 213 C SER A 16 50.035 11.751 -9.646 1.00 0.00 C ATOM 214 O SER A 16 49.791 10.759 -8.984 1.00 0.00 O ATOM 215 CB SER A 16 48.714 11.090 -11.728 1.00 0.00 C ATOM 216 OG SER A 16 48.288 9.950 -10.995 1.00 0.00 O ATOM 0 H SER A 16 49.399 13.273 -12.449 1.00 0.00 H new ATOM 0 HA SER A 16 48.091 12.412 -10.087 1.00 0.00 H new ATOM 0 HB2 SER A 16 47.952 11.401 -12.442 1.00 0.00 H new ATOM 0 HB3 SER A 16 49.616 10.871 -12.300 1.00 0.00 H new ATOM 0 HG SER A 16 48.552 10.047 -10.056 1.00 0.00 H new ATOM 222 N CYS A 17 51.153 12.442 -9.506 1.00 0.00 N ATOM 223 CA CYS A 17 52.152 11.967 -8.480 1.00 0.00 C ATOM 224 C CYS A 17 52.116 12.926 -7.260 1.00 0.00 C ATOM 225 O CYS A 17 52.879 13.869 -7.207 1.00 0.00 O ATOM 226 CB CYS A 17 53.606 11.943 -9.080 1.00 0.00 C ATOM 227 SG CYS A 17 54.683 13.398 -9.218 1.00 0.00 S ATOM 0 H CYS A 17 51.410 13.277 -10.032 1.00 0.00 H new ATOM 0 HA CYS A 17 51.888 10.954 -8.176 1.00 0.00 H new ATOM 0 HB2 CYS A 17 54.162 11.210 -8.496 1.00 0.00 H new ATOM 0 HB3 CYS A 17 53.510 11.541 -10.089 1.00 0.00 H new ATOM 232 N PRO A 18 51.238 12.680 -6.306 1.00 0.00 N ATOM 233 CA PRO A 18 51.036 13.604 -5.166 1.00 0.00 C ATOM 234 C PRO A 18 52.271 13.778 -4.286 1.00 0.00 C ATOM 235 O PRO A 18 53.043 12.843 -4.176 1.00 0.00 O ATOM 236 CB PRO A 18 49.915 12.951 -4.342 1.00 0.00 C ATOM 237 CG PRO A 18 49.927 11.527 -4.746 1.00 0.00 C ATOM 238 CD PRO A 18 50.337 11.515 -6.186 1.00 0.00 C ATOM 0 HA PRO A 18 50.805 14.604 -5.533 1.00 0.00 H new ATOM 0 HB2 PRO A 18 50.096 13.060 -3.273 1.00 0.00 H new ATOM 0 HB3 PRO A 18 48.950 13.413 -4.551 1.00 0.00 H new ATOM 0 HG2 PRO A 18 50.625 10.953 -4.136 1.00 0.00 H new ATOM 0 HG3 PRO A 18 48.944 11.075 -4.616 1.00 0.00 H new ATOM 0 HD2 PRO A 18 50.845 10.587 -6.449 1.00 0.00 H new ATOM 0 HD3 PRO A 18 49.476 11.606 -6.848 1.00 0.00 H new ATOM 246 N LYS A 19 52.412 14.948 -3.699 1.00 0.00 N ATOM 247 CA LYS A 19 53.599 15.158 -2.828 1.00 0.00 C ATOM 248 C LYS A 19 53.073 15.087 -1.412 1.00 0.00 C ATOM 249 O LYS A 19 51.933 15.420 -1.137 1.00 0.00 O ATOM 250 CB LYS A 19 54.293 16.545 -3.003 1.00 0.00 C ATOM 251 CG LYS A 19 53.571 17.783 -2.419 1.00 0.00 C ATOM 252 CD LYS A 19 52.276 18.042 -3.128 1.00 0.00 C ATOM 253 CE LYS A 19 51.663 19.352 -2.633 1.00 0.00 C ATOM 254 NZ LYS A 19 50.399 19.624 -3.373 1.00 0.00 N ATOM 0 H LYS A 19 51.774 15.739 -3.786 1.00 0.00 H new ATOM 0 HA LYS A 19 54.349 14.409 -3.083 1.00 0.00 H new ATOM 0 HB2 LYS A 19 55.282 16.486 -2.548 1.00 0.00 H new ATOM 0 HB3 LYS A 19 54.442 16.714 -4.069 1.00 0.00 H new ATOM 0 HG2 LYS A 19 53.382 17.629 -1.357 1.00 0.00 H new ATOM 0 HG3 LYS A 19 54.216 18.657 -2.505 1.00 0.00 H new ATOM 0 HD2 LYS A 19 52.445 18.093 -4.204 1.00 0.00 H new ATOM 0 HD3 LYS A 19 51.584 17.218 -2.953 1.00 0.00 H new ATOM 0 HE2 LYS A 19 51.464 19.290 -1.563 1.00 0.00 H new ATOM 0 HE3 LYS A 19 52.366 20.172 -2.780 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 49.915 20.439 -2.945 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 50.618 19.834 -4.368 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 49.781 18.789 -3.324 1.00 0.00 H new ATOM 268 N THR A 20 53.942 14.655 -0.550 1.00 0.00 N ATOM 269 CA THR A 20 53.567 14.519 0.878 1.00 0.00 C ATOM 270 C THR A 20 54.671 14.999 1.813 1.00 0.00 C ATOM 271 O THR A 20 55.666 15.557 1.389 1.00 0.00 O ATOM 272 CB THR A 20 53.273 13.043 1.141 1.00 0.00 C ATOM 273 OG1 THR A 20 54.512 12.388 0.898 1.00 0.00 O ATOM 274 CG2 THR A 20 52.351 12.401 0.077 1.00 0.00 C ATOM 0 H THR A 20 54.901 14.389 -0.774 1.00 0.00 H new ATOM 0 HA THR A 20 52.694 15.141 1.076 1.00 0.00 H new ATOM 0 HB THR A 20 52.824 12.956 2.130 1.00 0.00 H new ATOM 0 HG1 THR A 20 54.723 11.797 1.651 1.00 0.00 H new ATOM 0 HG21 THR A 20 52.184 11.353 0.325 1.00 0.00 H new ATOM 0 HG22 THR A 20 51.396 12.926 0.058 1.00 0.00 H new ATOM 0 HG23 THR A 20 52.823 12.471 -0.903 1.00 0.00 H new ATOM 282 N CYS A 21 54.424 14.745 3.075 1.00 0.00 N ATOM 283 CA CYS A 21 55.376 15.117 4.158 1.00 0.00 C ATOM 284 C CYS A 21 56.737 14.450 3.921 1.00 0.00 C ATOM 285 O CYS A 21 57.741 14.836 4.490 1.00 0.00 O ATOM 286 CB CYS A 21 54.704 14.696 5.469 1.00 0.00 C ATOM 287 SG CYS A 21 53.348 15.810 5.910 1.00 0.00 S ATOM 0 H CYS A 21 53.577 14.282 3.404 1.00 0.00 H new ATOM 0 HA CYS A 21 55.588 16.186 4.187 1.00 0.00 H new ATOM 0 HB2 CYS A 21 54.324 13.679 5.373 1.00 0.00 H new ATOM 0 HB3 CYS A 21 55.443 14.686 6.270 1.00 0.00 H new ATOM 292 N GLU A 22 56.695 13.456 3.074 1.00 0.00 N ATOM 293 CA GLU A 22 57.912 12.683 2.692 1.00 0.00 C ATOM 294 C GLU A 22 58.586 13.385 1.484 1.00 0.00 C ATOM 295 O GLU A 22 59.758 13.702 1.535 1.00 0.00 O ATOM 296 CB GLU A 22 57.516 11.244 2.297 1.00 0.00 C ATOM 297 CG GLU A 22 56.890 10.447 3.477 1.00 0.00 C ATOM 298 CD GLU A 22 55.587 11.091 3.996 1.00 0.00 C ATOM 299 OE1 GLU A 22 54.605 11.009 3.278 1.00 0.00 O ATOM 300 OE2 GLU A 22 55.649 11.631 5.088 1.00 0.00 O ATOM 0 H GLU A 22 55.840 13.139 2.617 1.00 0.00 H new ATOM 0 HA GLU A 22 58.602 12.641 3.534 1.00 0.00 H new ATOM 0 HB2 GLU A 22 56.805 11.281 1.472 1.00 0.00 H new ATOM 0 HB3 GLU A 22 58.398 10.716 1.935 1.00 0.00 H new ATOM 0 HG2 GLU A 22 56.684 9.427 3.154 1.00 0.00 H new ATOM 0 HG3 GLU A 22 57.611 10.384 4.292 1.00 0.00 H new ATOM 307 N THR A 23 57.820 13.606 0.437 1.00 0.00 N ATOM 308 CA THR A 23 58.334 14.277 -0.813 1.00 0.00 C ATOM 309 C THR A 23 57.952 15.750 -0.852 1.00 0.00 C ATOM 310 O THR A 23 57.402 16.258 -1.810 1.00 0.00 O ATOM 311 CB THR A 23 57.750 13.562 -2.032 1.00 0.00 C ATOM 312 OG1 THR A 23 56.338 13.637 -1.900 1.00 0.00 O ATOM 313 CG2 THR A 23 58.049 12.081 -1.972 1.00 0.00 C ATOM 0 H THR A 23 56.835 13.344 0.393 1.00 0.00 H new ATOM 0 HA THR A 23 59.422 14.215 -0.819 1.00 0.00 H new ATOM 0 HB THR A 23 58.155 14.010 -2.940 1.00 0.00 H new ATOM 0 HG1 THR A 23 55.920 12.946 -2.456 1.00 0.00 H new ATOM 0 HG21 THR A 23 57.626 11.589 -2.848 1.00 0.00 H new ATOM 0 HG22 THR A 23 59.128 11.928 -1.956 1.00 0.00 H new ATOM 0 HG23 THR A 23 57.609 11.657 -1.069 1.00 0.00 H new ATOM 321 N ARG A 24 58.279 16.396 0.225 1.00 0.00 N ATOM 322 CA ARG A 24 57.972 17.848 0.354 1.00 0.00 C ATOM 323 C ARG A 24 58.688 18.709 -0.685 1.00 0.00 C ATOM 324 O ARG A 24 58.304 19.832 -0.953 1.00 0.00 O ATOM 325 CB ARG A 24 58.379 18.311 1.750 1.00 0.00 C ATOM 326 CG ARG A 24 57.565 17.523 2.777 1.00 0.00 C ATOM 327 CD ARG A 24 57.956 17.918 4.194 1.00 0.00 C ATOM 328 NE ARG A 24 59.376 17.502 4.411 1.00 0.00 N ATOM 329 CZ ARG A 24 60.297 18.314 4.872 1.00 0.00 C ATOM 330 NH1 ARG A 24 60.026 19.557 5.175 1.00 0.00 N ATOM 331 NH2 ARG A 24 61.501 17.836 5.020 1.00 0.00 N ATOM 0 H ARG A 24 58.749 15.981 1.029 1.00 0.00 H new ATOM 0 HA ARG A 24 56.902 17.970 0.186 1.00 0.00 H new ATOM 0 HB2 ARG A 24 59.445 18.150 1.907 1.00 0.00 H new ATOM 0 HB3 ARG A 24 58.198 19.380 1.863 1.00 0.00 H new ATOM 0 HG2 ARG A 24 56.502 17.707 2.624 1.00 0.00 H new ATOM 0 HG3 ARG A 24 57.728 16.455 2.634 1.00 0.00 H new ATOM 0 HD2 ARG A 24 57.848 18.994 4.334 1.00 0.00 H new ATOM 0 HD3 ARG A 24 57.302 17.435 4.919 1.00 0.00 H new ATOM 0 HE ARG A 24 59.641 16.542 4.190 1.00 0.00 H new ATOM 0 HH11 ARG A 24 59.079 19.916 5.055 1.00 0.00 H new ATOM 0 HH12 ARG A 24 60.762 20.167 5.532 1.00 0.00 H new ATOM 0 HH21 ARG A 24 61.697 16.864 4.780 1.00 0.00 H new ATOM 0 HH22 ARG A 24 62.247 18.434 5.376 1.00 0.00 H new ATOM 345 N ASN A 25 59.716 18.124 -1.231 1.00 0.00 N ATOM 346 CA ASN A 25 60.563 18.778 -2.266 1.00 0.00 C ATOM 347 C ASN A 25 59.801 19.276 -3.510 1.00 0.00 C ATOM 348 O ASN A 25 60.341 20.021 -4.305 1.00 0.00 O ATOM 349 CB ASN A 25 61.620 17.770 -2.687 1.00 0.00 C ATOM 350 CG ASN A 25 62.492 17.384 -1.484 1.00 0.00 C ATOM 351 OD1 ASN A 25 63.597 17.861 -1.319 1.00 0.00 O ATOM 352 ND2 ASN A 25 62.028 16.521 -0.619 1.00 0.00 N ATOM 0 H ASN A 25 60.015 17.179 -0.991 1.00 0.00 H new ATOM 0 HA ASN A 25 60.987 19.677 -1.818 1.00 0.00 H new ATOM 0 HB2 ASN A 25 61.142 16.881 -3.099 1.00 0.00 H new ATOM 0 HB3 ASN A 25 62.242 18.192 -3.476 1.00 0.00 H new ATOM 0 HD21 ASN A 25 62.593 16.253 0.187 1.00 0.00 H new ATOM 0 HD22 ASN A 25 61.101 16.116 -0.750 1.00 0.00 H new ATOM 359 N LYS A 26 58.573 18.847 -3.630 1.00 0.00 N ATOM 360 CA LYS A 26 57.705 19.233 -4.778 1.00 0.00 C ATOM 361 C LYS A 26 56.819 20.405 -4.316 1.00 0.00 C ATOM 362 O LYS A 26 56.049 20.267 -3.385 1.00 0.00 O ATOM 363 CB LYS A 26 56.830 18.034 -5.169 1.00 0.00 C ATOM 364 CG LYS A 26 57.628 16.702 -5.283 1.00 0.00 C ATOM 365 CD LYS A 26 58.827 16.835 -6.228 1.00 0.00 C ATOM 366 CE LYS A 26 59.491 15.465 -6.428 1.00 0.00 C ATOM 367 NZ LYS A 26 60.637 15.596 -7.370 1.00 0.00 N ATOM 0 H LYS A 26 58.123 18.226 -2.958 1.00 0.00 H new ATOM 0 HA LYS A 26 58.301 19.529 -5.642 1.00 0.00 H new ATOM 0 HB2 LYS A 26 56.039 17.914 -4.429 1.00 0.00 H new ATOM 0 HB3 LYS A 26 56.345 18.242 -6.123 1.00 0.00 H new ATOM 0 HG2 LYS A 26 57.976 16.401 -4.295 1.00 0.00 H new ATOM 0 HG3 LYS A 26 56.968 15.913 -5.642 1.00 0.00 H new ATOM 0 HD2 LYS A 26 58.501 17.234 -7.188 1.00 0.00 H new ATOM 0 HD3 LYS A 26 59.548 17.542 -5.817 1.00 0.00 H new ATOM 0 HE2 LYS A 26 59.837 15.075 -5.471 1.00 0.00 H new ATOM 0 HE3 LYS A 26 58.765 14.752 -6.820 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 61.105 14.674 -7.477 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 60.290 15.918 -8.296 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 61.317 16.288 -6.995 1.00 0.00 H new ATOM 381 N LEU A 27 56.960 21.521 -4.988 1.00 0.00 N ATOM 382 CA LEU A 27 56.159 22.751 -4.644 1.00 0.00 C ATOM 383 C LEU A 27 54.752 22.845 -5.259 1.00 0.00 C ATOM 384 O LEU A 27 54.139 23.891 -5.352 1.00 0.00 O ATOM 385 CB LEU A 27 56.983 24.016 -5.050 1.00 0.00 C ATOM 386 CG LEU A 27 58.286 24.222 -4.205 1.00 0.00 C ATOM 387 CD1 LEU A 27 59.312 23.071 -4.347 1.00 0.00 C ATOM 388 CD2 LEU A 27 58.957 25.542 -4.640 1.00 0.00 C ATOM 0 H LEU A 27 57.603 21.639 -5.771 1.00 0.00 H new ATOM 0 HA LEU A 27 55.985 22.685 -3.570 1.00 0.00 H new ATOM 0 HB2 LEU A 27 57.253 23.939 -6.103 1.00 0.00 H new ATOM 0 HB3 LEU A 27 56.351 24.898 -4.946 1.00 0.00 H new ATOM 0 HG LEU A 27 57.982 24.244 -3.159 1.00 0.00 H new ATOM 0 HD11 LEU A 27 60.187 23.285 -3.733 1.00 0.00 H new ATOM 0 HD12 LEU A 27 58.858 22.136 -4.018 1.00 0.00 H new ATOM 0 HD13 LEU A 27 59.615 22.980 -5.390 1.00 0.00 H new ATOM 0 HD21 LEU A 27 59.866 25.697 -4.059 1.00 0.00 H new ATOM 0 HD22 LEU A 27 59.208 25.491 -5.699 1.00 0.00 H new ATOM 0 HD23 LEU A 27 58.271 26.372 -4.470 1.00 0.00 H new ATOM 400 N VAL A 28 54.322 21.687 -5.639 1.00 0.00 N ATOM 401 CA VAL A 28 52.986 21.416 -6.273 1.00 0.00 C ATOM 402 C VAL A 28 52.760 19.936 -6.097 1.00 0.00 C ATOM 403 O VAL A 28 53.680 19.205 -5.782 1.00 0.00 O ATOM 404 CB VAL A 28 52.932 21.751 -7.810 1.00 0.00 C ATOM 405 CG1 VAL A 28 53.229 23.236 -8.095 1.00 0.00 C ATOM 406 CG2 VAL A 28 53.857 20.872 -8.662 1.00 0.00 C ATOM 0 H VAL A 28 54.882 20.841 -5.531 1.00 0.00 H new ATOM 0 HA VAL A 28 52.231 22.047 -5.804 1.00 0.00 H new ATOM 0 HB VAL A 28 51.905 21.531 -8.102 1.00 0.00 H new ATOM 0 HG11 VAL A 28 53.180 23.417 -9.169 1.00 0.00 H new ATOM 0 HG12 VAL A 28 52.492 23.858 -7.588 1.00 0.00 H new ATOM 0 HG13 VAL A 28 54.226 23.484 -7.730 1.00 0.00 H new ATOM 0 HG21 VAL A 28 53.768 21.159 -9.710 1.00 0.00 H new ATOM 0 HG22 VAL A 28 54.888 21.006 -8.336 1.00 0.00 H new ATOM 0 HG23 VAL A 28 53.573 19.826 -8.547 1.00 0.00 H new ATOM 416 N LEU A 29 51.530 19.558 -6.316 1.00 0.00 N ATOM 417 CA LEU A 29 51.125 18.136 -6.182 1.00 0.00 C ATOM 418 C LEU A 29 52.192 17.149 -6.661 1.00 0.00 C ATOM 419 O LEU A 29 52.557 16.221 -5.970 1.00 0.00 O ATOM 420 CB LEU A 29 49.848 17.963 -6.949 1.00 0.00 C ATOM 421 CG LEU A 29 49.329 16.500 -6.764 1.00 0.00 C ATOM 422 CD1 LEU A 29 49.016 16.245 -5.255 1.00 0.00 C ATOM 423 CD2 LEU A 29 48.053 16.255 -7.549 1.00 0.00 C ATOM 0 H LEU A 29 50.777 20.190 -6.587 1.00 0.00 H new ATOM 0 HA LEU A 29 50.988 17.908 -5.125 1.00 0.00 H new ATOM 0 HB2 LEU A 29 49.100 18.674 -6.598 1.00 0.00 H new ATOM 0 HB3 LEU A 29 50.014 18.171 -8.006 1.00 0.00 H new ATOM 0 HG LEU A 29 50.107 15.829 -7.127 1.00 0.00 H new ATOM 0 HD11 LEU A 29 48.654 15.225 -5.126 1.00 0.00 H new ATOM 0 HD12 LEU A 29 49.923 16.386 -4.667 1.00 0.00 H new ATOM 0 HD13 LEU A 29 48.252 16.946 -4.918 1.00 0.00 H new ATOM 0 HD21 LEU A 29 47.723 15.228 -7.395 1.00 0.00 H new ATOM 0 HD22 LEU A 29 47.278 16.940 -7.206 1.00 0.00 H new ATOM 0 HD23 LEU A 29 48.241 16.421 -8.610 1.00 0.00 H new ATOM 435 N CYS A 30 52.647 17.415 -7.845 1.00 0.00 N ATOM 436 CA CYS A 30 53.699 16.574 -8.495 1.00 0.00 C ATOM 437 C CYS A 30 54.832 17.528 -8.904 1.00 0.00 C ATOM 438 O CYS A 30 55.200 18.351 -8.092 1.00 0.00 O ATOM 439 CB CYS A 30 53.035 15.867 -9.689 1.00 0.00 C ATOM 440 SG CYS A 30 54.035 14.685 -10.629 1.00 0.00 S ATOM 0 H CYS A 30 52.329 18.201 -8.412 1.00 0.00 H new ATOM 0 HA CYS A 30 54.122 15.805 -7.849 1.00 0.00 H new ATOM 0 HB2 CYS A 30 52.154 15.342 -9.320 1.00 0.00 H new ATOM 0 HB3 CYS A 30 52.684 16.634 -10.380 1.00 0.00 H new ATOM 445 N ASP A 31 55.366 17.425 -10.100 1.00 0.00 N ATOM 446 CA ASP A 31 56.475 18.350 -10.523 1.00 0.00 C ATOM 447 C ASP A 31 56.938 18.056 -11.954 1.00 0.00 C ATOM 448 O ASP A 31 57.294 18.955 -12.691 1.00 0.00 O ATOM 449 CB ASP A 31 57.701 18.209 -9.559 1.00 0.00 C ATOM 450 CG ASP A 31 58.299 16.786 -9.580 1.00 0.00 C ATOM 451 OD1 ASP A 31 57.559 15.859 -9.284 1.00 0.00 O ATOM 452 OD2 ASP A 31 59.476 16.706 -9.889 1.00 0.00 O ATOM 0 H ASP A 31 55.084 16.742 -10.803 1.00 0.00 H new ATOM 0 HA ASP A 31 56.081 19.365 -10.481 1.00 0.00 H new ATOM 0 HB2 ASP A 31 58.469 18.928 -9.843 1.00 0.00 H new ATOM 0 HB3 ASP A 31 57.393 18.457 -8.543 1.00 0.00 H new ATOM 457 N LYS A 32 56.912 16.795 -12.293 1.00 0.00 N ATOM 458 CA LYS A 32 57.336 16.336 -13.659 1.00 0.00 C ATOM 459 C LYS A 32 56.160 16.395 -14.652 1.00 0.00 C ATOM 460 O LYS A 32 56.276 15.939 -15.774 1.00 0.00 O ATOM 461 CB LYS A 32 57.859 14.887 -13.550 1.00 0.00 C ATOM 462 CG LYS A 32 58.999 14.839 -12.518 1.00 0.00 C ATOM 463 CD LYS A 32 59.537 13.405 -12.372 1.00 0.00 C ATOM 464 CE LYS A 32 60.644 13.389 -11.297 1.00 0.00 C ATOM 465 NZ LYS A 32 60.099 13.833 -9.979 1.00 0.00 N ATOM 0 H LYS A 32 56.609 16.045 -11.672 1.00 0.00 H new ATOM 0 HA LYS A 32 58.120 16.995 -14.031 1.00 0.00 H new ATOM 0 HB2 LYS A 32 57.052 14.218 -13.251 1.00 0.00 H new ATOM 0 HB3 LYS A 32 58.216 14.542 -14.521 1.00 0.00 H new ATOM 0 HG2 LYS A 32 59.804 15.506 -12.826 1.00 0.00 H new ATOM 0 HG3 LYS A 32 58.639 15.198 -11.554 1.00 0.00 H new ATOM 0 HD2 LYS A 32 58.731 12.727 -12.092 1.00 0.00 H new ATOM 0 HD3 LYS A 32 59.933 13.053 -13.325 1.00 0.00 H new ATOM 0 HE2 LYS A 32 61.057 12.384 -11.207 1.00 0.00 H new ATOM 0 HE3 LYS A 32 61.462 14.044 -11.598 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 60.743 13.535 -9.219 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 60.010 14.869 -9.972 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 59.164 13.404 -9.828 1.00 0.00 H new ATOM 479 N LYS A 33 55.066 16.958 -14.204 1.00 0.00 N ATOM 480 CA LYS A 33 53.840 17.082 -15.052 1.00 0.00 C ATOM 481 C LYS A 33 52.852 18.101 -14.479 1.00 0.00 C ATOM 482 O LYS A 33 52.801 18.336 -13.286 1.00 0.00 O ATOM 483 CB LYS A 33 53.199 15.682 -15.140 1.00 0.00 C ATOM 484 CG LYS A 33 51.796 15.707 -15.811 1.00 0.00 C ATOM 485 CD LYS A 33 51.843 16.099 -17.318 1.00 0.00 C ATOM 486 CE LYS A 33 52.649 15.072 -18.141 1.00 0.00 C ATOM 487 NZ LYS A 33 52.040 13.719 -18.014 1.00 0.00 N ATOM 0 H LYS A 33 54.969 17.345 -13.265 1.00 0.00 H new ATOM 0 HA LYS A 33 54.111 17.446 -16.043 1.00 0.00 H new ATOM 0 HB2 LYS A 33 53.856 15.021 -15.705 1.00 0.00 H new ATOM 0 HB3 LYS A 33 53.111 15.263 -14.137 1.00 0.00 H new ATOM 0 HG2 LYS A 33 51.336 14.724 -15.712 1.00 0.00 H new ATOM 0 HG3 LYS A 33 51.158 16.413 -15.278 1.00 0.00 H new ATOM 0 HD2 LYS A 33 50.828 16.166 -17.710 1.00 0.00 H new ATOM 0 HD3 LYS A 33 52.292 17.086 -17.425 1.00 0.00 H new ATOM 0 HE2 LYS A 33 52.671 15.372 -19.189 1.00 0.00 H new ATOM 0 HE3 LYS A 33 53.682 15.048 -17.794 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 52.434 13.091 -18.744 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 52.250 13.331 -17.072 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 51.010 13.789 -18.137 1.00 0.00 H new ATOM 501 N CYS A 34 52.099 18.662 -15.393 1.00 0.00 N ATOM 502 CA CYS A 34 51.068 19.677 -15.056 1.00 0.00 C ATOM 503 C CYS A 34 49.642 19.277 -15.465 1.00 0.00 C ATOM 504 O CYS A 34 49.128 19.682 -16.490 1.00 0.00 O ATOM 505 CB CYS A 34 51.413 20.994 -15.739 1.00 0.00 C ATOM 506 SG CYS A 34 52.858 21.939 -15.195 1.00 0.00 S ATOM 0 H CYS A 34 52.163 18.447 -16.388 1.00 0.00 H new ATOM 0 HA CYS A 34 51.077 19.768 -13.970 1.00 0.00 H new ATOM 0 HB2 CYS A 34 51.542 20.785 -16.801 1.00 0.00 H new ATOM 0 HB3 CYS A 34 50.544 21.646 -15.646 1.00 0.00 H new ATOM 511 N ASN A 35 49.056 18.474 -14.625 1.00 0.00 N ATOM 512 CA ASN A 35 47.650 17.999 -14.873 1.00 0.00 C ATOM 513 C ASN A 35 46.722 18.946 -14.095 1.00 0.00 C ATOM 514 O ASN A 35 47.018 19.300 -12.969 1.00 0.00 O ATOM 515 CB ASN A 35 47.352 16.581 -14.320 1.00 0.00 C ATOM 516 CG ASN A 35 48.229 15.452 -14.873 1.00 0.00 C ATOM 517 OD1 ASN A 35 48.862 15.559 -15.904 1.00 0.00 O ATOM 518 ND2 ASN A 35 48.269 14.343 -14.176 1.00 0.00 N ATOM 0 H ASN A 35 49.485 18.119 -13.770 1.00 0.00 H new ATOM 0 HA ASN A 35 47.504 17.981 -15.953 1.00 0.00 H new ATOM 0 HB2 ASN A 35 47.462 16.604 -13.236 1.00 0.00 H new ATOM 0 HB3 ASN A 35 46.309 16.342 -14.529 1.00 0.00 H new ATOM 0 HD21 ASN A 35 48.836 13.558 -14.498 1.00 0.00 H new ATOM 0 HD22 ASN A 35 47.733 14.264 -13.312 1.00 0.00 H new ATOM 525 N GLN A 36 45.632 19.325 -14.713 1.00 0.00 N ATOM 526 CA GLN A 36 44.642 20.241 -14.061 1.00 0.00 C ATOM 527 C GLN A 36 43.807 19.372 -13.120 1.00 0.00 C ATOM 528 O GLN A 36 42.716 18.929 -13.425 1.00 0.00 O ATOM 529 CB GLN A 36 43.763 20.898 -15.160 1.00 0.00 C ATOM 530 CG GLN A 36 44.577 21.883 -16.042 1.00 0.00 C ATOM 531 CD GLN A 36 45.752 21.197 -16.752 1.00 0.00 C ATOM 532 OE1 GLN A 36 45.581 20.289 -17.541 1.00 0.00 O ATOM 533 NE2 GLN A 36 46.963 21.607 -16.493 1.00 0.00 N ATOM 0 H GLN A 36 45.381 19.034 -15.658 1.00 0.00 H new ATOM 0 HA GLN A 36 45.121 21.044 -13.501 1.00 0.00 H new ATOM 0 HB2 GLN A 36 43.329 20.121 -15.790 1.00 0.00 H new ATOM 0 HB3 GLN A 36 42.934 21.430 -14.692 1.00 0.00 H new ATOM 0 HG2 GLN A 36 43.918 22.331 -16.786 1.00 0.00 H new ATOM 0 HG3 GLN A 36 44.955 22.695 -15.421 1.00 0.00 H new ATOM 0 HE21 GLN A 36 47.113 22.369 -15.832 1.00 0.00 H new ATOM 0 HE22 GLN A 36 47.760 21.166 -16.952 1.00 0.00 H new ATOM 542 N ARG A 37 44.407 19.172 -11.978 1.00 0.00 N ATOM 543 CA ARG A 37 43.819 18.356 -10.875 1.00 0.00 C ATOM 544 C ARG A 37 44.048 19.118 -9.573 1.00 0.00 C ATOM 545 O ARG A 37 44.587 20.208 -9.588 1.00 0.00 O ATOM 546 CB ARG A 37 44.533 16.987 -10.846 1.00 0.00 C ATOM 547 CG ARG A 37 44.297 16.228 -12.175 1.00 0.00 C ATOM 548 CD ARG A 37 45.119 14.922 -12.213 1.00 0.00 C ATOM 549 NE ARG A 37 44.772 14.063 -11.035 1.00 0.00 N ATOM 550 CZ ARG A 37 45.563 13.959 -9.993 1.00 0.00 C ATOM 551 NH1 ARG A 37 46.697 14.608 -9.931 1.00 0.00 N ATOM 552 NH2 ARG A 37 45.181 13.183 -9.016 1.00 0.00 N ATOM 0 H ARG A 37 45.324 19.560 -11.755 1.00 0.00 H new ATOM 0 HA ARG A 37 42.752 18.187 -11.016 1.00 0.00 H new ATOM 0 HB2 ARG A 37 45.602 17.130 -10.686 1.00 0.00 H new ATOM 0 HB3 ARG A 37 44.162 16.394 -10.010 1.00 0.00 H new ATOM 0 HG2 ARG A 37 43.237 15.999 -12.285 1.00 0.00 H new ATOM 0 HG3 ARG A 37 44.575 16.863 -13.016 1.00 0.00 H new ATOM 0 HD2 ARG A 37 44.918 14.383 -13.139 1.00 0.00 H new ATOM 0 HD3 ARG A 37 46.184 15.153 -12.204 1.00 0.00 H new ATOM 0 HE ARG A 37 43.894 13.543 -11.043 1.00 0.00 H new ATOM 0 HH11 ARG A 37 46.983 15.210 -10.703 1.00 0.00 H new ATOM 0 HH12 ARG A 37 47.296 14.512 -9.111 1.00 0.00 H new ATOM 0 HH21 ARG A 37 44.294 12.683 -9.079 1.00 0.00 H new ATOM 0 HH22 ARG A 37 45.769 13.077 -8.189 1.00 0.00 H new ATOM 566 N CYS A 38 43.639 18.531 -8.478 1.00 0.00 N ATOM 567 CA CYS A 38 43.828 19.220 -7.171 1.00 0.00 C ATOM 568 C CYS A 38 45.317 19.229 -6.763 1.00 0.00 C ATOM 569 O CYS A 38 46.162 18.812 -7.528 1.00 0.00 O ATOM 570 CB CYS A 38 42.973 18.501 -6.116 1.00 0.00 C ATOM 571 SG CYS A 38 42.923 19.387 -4.544 1.00 0.00 S ATOM 0 H CYS A 38 43.189 17.617 -8.433 1.00 0.00 H new ATOM 0 HA CYS A 38 43.512 20.260 -7.254 1.00 0.00 H new ATOM 0 HB2 CYS A 38 41.958 18.383 -6.495 1.00 0.00 H new ATOM 0 HB3 CYS A 38 43.371 17.499 -5.952 1.00 0.00 H new ATOM 576 N GLY A 39 45.598 19.714 -5.580 1.00 0.00 N ATOM 577 CA GLY A 39 46.995 19.784 -5.053 1.00 0.00 C ATOM 578 C GLY A 39 46.963 20.593 -3.758 1.00 0.00 C ATOM 579 O GLY A 39 46.261 21.582 -3.703 1.00 0.00 O ATOM 0 H GLY A 39 44.893 20.076 -4.938 1.00 0.00 H new ATOM 0 HA2 GLY A 39 47.385 18.783 -4.869 1.00 0.00 H new ATOM 0 HA3 GLY A 39 47.655 20.254 -5.782 1.00 0.00 H new ATOM 583 N CYS A 40 47.712 20.163 -2.767 1.00 0.00 N ATOM 584 CA CYS A 40 47.771 20.862 -1.443 1.00 0.00 C ATOM 585 C CYS A 40 47.816 22.386 -1.506 1.00 0.00 C ATOM 586 O CYS A 40 48.088 22.977 -2.531 1.00 0.00 O ATOM 587 CB CYS A 40 49.000 20.401 -0.665 1.00 0.00 C ATOM 588 SG CYS A 40 49.127 18.665 -0.189 1.00 0.00 S ATOM 0 H CYS A 40 48.301 19.332 -2.825 1.00 0.00 H new ATOM 0 HA CYS A 40 46.835 20.591 -0.955 1.00 0.00 H new ATOM 0 HB2 CYS A 40 49.879 20.645 -1.262 1.00 0.00 H new ATOM 0 HB3 CYS A 40 49.057 20.998 0.245 1.00 0.00 H new ATOM 593 N ILE A 41 47.550 22.973 -0.371 1.00 0.00 N ATOM 594 CA ILE A 41 47.549 24.461 -0.277 1.00 0.00 C ATOM 595 C ILE A 41 48.974 24.948 -0.590 1.00 0.00 C ATOM 596 O ILE A 41 49.931 24.206 -0.466 1.00 0.00 O ATOM 597 CB ILE A 41 47.185 24.943 1.157 1.00 0.00 C ATOM 598 CG1 ILE A 41 46.025 24.130 1.811 1.00 0.00 C ATOM 599 CG2 ILE A 41 46.751 26.425 1.057 1.00 0.00 C ATOM 600 CD1 ILE A 41 44.756 24.097 0.954 1.00 0.00 C ATOM 0 H ILE A 41 47.333 22.485 0.498 1.00 0.00 H new ATOM 0 HA ILE A 41 46.811 24.857 -0.975 1.00 0.00 H new ATOM 0 HB ILE A 41 48.063 24.802 1.787 1.00 0.00 H new ATOM 0 HG12 ILE A 41 46.361 23.109 1.991 1.00 0.00 H new ATOM 0 HG13 ILE A 41 45.789 24.563 2.783 1.00 0.00 H new ATOM 0 HG21 ILE A 41 46.488 26.795 2.048 1.00 0.00 H new ATOM 0 HG22 ILE A 41 47.572 27.018 0.654 1.00 0.00 H new ATOM 0 HG23 ILE A 41 45.887 26.507 0.398 1.00 0.00 H new ATOM 0 HD11 ILE A 41 43.987 23.516 1.464 1.00 0.00 H new ATOM 0 HD12 ILE A 41 44.397 25.114 0.796 1.00 0.00 H new ATOM 0 HD13 ILE A 41 44.979 23.637 -0.009 1.00 0.00 H new ATOM 612 N SER A 42 49.062 26.187 -0.991 1.00 0.00 N ATOM 613 CA SER A 42 50.386 26.788 -1.324 1.00 0.00 C ATOM 614 C SER A 42 51.136 26.972 0.003 1.00 0.00 C ATOM 615 O SER A 42 50.937 27.939 0.716 1.00 0.00 O ATOM 616 CB SER A 42 50.146 28.137 -2.032 1.00 0.00 C ATOM 617 OG SER A 42 51.450 28.624 -2.313 1.00 0.00 O ATOM 0 H SER A 42 48.266 26.815 -1.103 1.00 0.00 H new ATOM 0 HA SER A 42 50.975 26.159 -1.992 1.00 0.00 H new ATOM 0 HB2 SER A 42 49.564 28.009 -2.945 1.00 0.00 H new ATOM 0 HB3 SER A 42 49.592 28.827 -1.395 1.00 0.00 H new ATOM 0 HG SER A 42 51.385 29.488 -2.770 1.00 0.00 H new ATOM 623 N GLY A 43 51.977 26.009 0.274 1.00 0.00 N ATOM 624 CA GLY A 43 52.800 26.000 1.520 1.00 0.00 C ATOM 625 C GLY A 43 52.497 24.748 2.357 1.00 0.00 C ATOM 626 O GLY A 43 52.812 24.715 3.531 1.00 0.00 O ATOM 0 H GLY A 43 52.132 25.205 -0.335 1.00 0.00 H new ATOM 0 HA2 GLY A 43 53.859 26.025 1.263 1.00 0.00 H new ATOM 0 HA3 GLY A 43 52.593 26.895 2.106 1.00 0.00 H new ATOM 630 N THR A 44 51.895 23.759 1.735 1.00 0.00 N ATOM 631 CA THR A 44 51.553 22.487 2.450 1.00 0.00 C ATOM 632 C THR A 44 51.780 21.258 1.558 1.00 0.00 C ATOM 633 O THR A 44 51.934 21.351 0.356 1.00 0.00 O ATOM 634 CB THR A 44 50.063 22.509 2.913 1.00 0.00 C ATOM 635 OG1 THR A 44 49.267 22.707 1.752 1.00 0.00 O ATOM 636 CG2 THR A 44 49.761 23.712 3.813 1.00 0.00 C ATOM 0 H THR A 44 51.624 23.780 0.752 1.00 0.00 H new ATOM 0 HA THR A 44 52.211 22.416 3.316 1.00 0.00 H new ATOM 0 HB THR A 44 49.861 21.582 3.449 1.00 0.00 H new ATOM 0 HG1 THR A 44 49.765 23.244 1.101 1.00 0.00 H new ATOM 0 HG21 THR A 44 48.713 23.688 4.112 1.00 0.00 H new ATOM 0 HG22 THR A 44 50.393 23.670 4.700 1.00 0.00 H new ATOM 0 HG23 THR A 44 49.962 24.634 3.267 1.00 0.00 H new ATOM 644 N VAL A 45 51.784 20.141 2.233 1.00 0.00 N ATOM 645 CA VAL A 45 51.985 18.788 1.630 1.00 0.00 C ATOM 646 C VAL A 45 50.988 17.794 2.195 1.00 0.00 C ATOM 647 O VAL A 45 50.614 17.899 3.345 1.00 0.00 O ATOM 648 CB VAL A 45 53.406 18.271 1.930 1.00 0.00 C ATOM 649 CG1 VAL A 45 54.406 19.043 1.091 1.00 0.00 C ATOM 650 CG2 VAL A 45 53.746 18.511 3.440 1.00 0.00 C ATOM 0 H VAL A 45 51.647 20.111 3.243 1.00 0.00 H new ATOM 0 HA VAL A 45 51.841 18.883 0.554 1.00 0.00 H new ATOM 0 HB VAL A 45 53.454 17.207 1.699 1.00 0.00 H new ATOM 0 HG11 VAL A 45 55.413 18.681 1.300 1.00 0.00 H new ATOM 0 HG12 VAL A 45 54.181 18.900 0.034 1.00 0.00 H new ATOM 0 HG13 VAL A 45 54.344 20.103 1.335 1.00 0.00 H new ATOM 0 HG21 VAL A 45 54.751 18.145 3.649 1.00 0.00 H new ATOM 0 HG22 VAL A 45 53.696 19.578 3.659 1.00 0.00 H new ATOM 0 HG23 VAL A 45 53.028 17.978 4.064 1.00 0.00 H new ATOM 660 N LEU A 46 50.596 16.853 1.373 1.00 0.00 N ATOM 661 CA LEU A 46 49.616 15.821 1.818 1.00 0.00 C ATOM 662 C LEU A 46 50.231 15.094 3.030 1.00 0.00 C ATOM 663 O LEU A 46 51.218 14.399 2.901 1.00 0.00 O ATOM 664 CB LEU A 46 49.378 14.874 0.627 1.00 0.00 C ATOM 665 CG LEU A 46 48.312 13.791 0.927 1.00 0.00 C ATOM 666 CD1 LEU A 46 46.931 14.457 1.139 1.00 0.00 C ATOM 667 CD2 LEU A 46 48.232 12.803 -0.257 1.00 0.00 C ATOM 0 H LEU A 46 50.915 16.757 0.409 1.00 0.00 H new ATOM 0 HA LEU A 46 48.657 16.241 2.122 1.00 0.00 H new ATOM 0 HB2 LEU A 46 49.063 15.457 -0.238 1.00 0.00 H new ATOM 0 HB3 LEU A 46 50.317 14.389 0.360 1.00 0.00 H new ATOM 0 HG LEU A 46 48.593 13.253 1.832 1.00 0.00 H new ATOM 0 HD11 LEU A 46 46.186 13.690 1.350 1.00 0.00 H new ATOM 0 HD12 LEU A 46 46.986 15.150 1.979 1.00 0.00 H new ATOM 0 HD13 LEU A 46 46.647 15.001 0.238 1.00 0.00 H new ATOM 0 HD21 LEU A 46 47.482 12.041 -0.045 1.00 0.00 H new ATOM 0 HD22 LEU A 46 47.956 13.342 -1.163 1.00 0.00 H new ATOM 0 HD23 LEU A 46 49.202 12.327 -0.400 1.00 0.00 H new ATOM 679 N LYS A 47 49.602 15.316 4.158 1.00 0.00 N ATOM 680 CA LYS A 47 49.980 14.742 5.493 1.00 0.00 C ATOM 681 C LYS A 47 50.864 13.482 5.458 1.00 0.00 C ATOM 682 O LYS A 47 51.826 13.390 6.196 1.00 0.00 O ATOM 683 CB LYS A 47 48.651 14.482 6.232 1.00 0.00 C ATOM 684 CG LYS A 47 48.864 13.845 7.618 1.00 0.00 C ATOM 685 CD LYS A 47 47.505 13.598 8.328 1.00 0.00 C ATOM 686 CE LYS A 47 46.720 14.913 8.550 1.00 0.00 C ATOM 687 NZ LYS A 47 47.520 15.858 9.378 1.00 0.00 N ATOM 0 H LYS A 47 48.780 15.918 4.209 1.00 0.00 H new ATOM 0 HA LYS A 47 50.620 15.460 6.007 1.00 0.00 H new ATOM 0 HB2 LYS A 47 48.112 15.423 6.347 1.00 0.00 H new ATOM 0 HB3 LYS A 47 48.024 13.827 5.627 1.00 0.00 H new ATOM 0 HG2 LYS A 47 49.400 12.902 7.511 1.00 0.00 H new ATOM 0 HG3 LYS A 47 49.486 14.497 8.231 1.00 0.00 H new ATOM 0 HD2 LYS A 47 46.903 12.913 7.731 1.00 0.00 H new ATOM 0 HD3 LYS A 47 47.680 13.114 9.289 1.00 0.00 H new ATOM 0 HE2 LYS A 47 46.484 15.370 7.589 1.00 0.00 H new ATOM 0 HE3 LYS A 47 45.772 14.700 9.043 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 46.989 16.743 9.505 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 47.709 15.431 10.307 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 48.421 16.061 8.900 1.00 0.00 H new ATOM 701 N SER A 48 50.514 12.549 4.612 1.00 0.00 N ATOM 702 CA SER A 48 51.304 11.285 4.492 1.00 0.00 C ATOM 703 C SER A 48 51.290 10.798 3.053 1.00 0.00 C ATOM 704 O SER A 48 50.649 11.386 2.203 1.00 0.00 O ATOM 705 CB SER A 48 50.695 10.203 5.408 1.00 0.00 C ATOM 706 OG SER A 48 50.805 10.739 6.718 1.00 0.00 O ATOM 0 H SER A 48 49.706 12.608 3.992 1.00 0.00 H new ATOM 0 HA SER A 48 52.333 11.480 4.794 1.00 0.00 H new ATOM 0 HB2 SER A 48 49.656 10.002 5.148 1.00 0.00 H new ATOM 0 HB3 SER A 48 51.234 9.260 5.319 1.00 0.00 H new ATOM 0 HG SER A 48 50.433 10.103 7.364 1.00 0.00 H new ATOM 712 N LYS A 49 52.016 9.725 2.857 1.00 0.00 N ATOM 713 CA LYS A 49 52.155 9.063 1.523 1.00 0.00 C ATOM 714 C LYS A 49 50.826 8.925 0.764 1.00 0.00 C ATOM 715 O LYS A 49 50.829 8.782 -0.443 1.00 0.00 O ATOM 716 CB LYS A 49 52.780 7.674 1.738 1.00 0.00 C ATOM 717 CG LYS A 49 54.190 7.853 2.362 1.00 0.00 C ATOM 718 CD LYS A 49 54.873 6.494 2.613 1.00 0.00 C ATOM 719 CE LYS A 49 55.098 5.719 1.299 1.00 0.00 C ATOM 720 NZ LYS A 49 55.781 4.429 1.593 1.00 0.00 N ATOM 0 H LYS A 49 52.540 9.263 3.600 1.00 0.00 H new ATOM 0 HA LYS A 49 52.790 9.697 0.904 1.00 0.00 H new ATOM 0 HB2 LYS A 49 52.150 7.074 2.394 1.00 0.00 H new ATOM 0 HB3 LYS A 49 52.851 7.141 0.790 1.00 0.00 H new ATOM 0 HG2 LYS A 49 54.809 8.455 1.698 1.00 0.00 H new ATOM 0 HG3 LYS A 49 54.107 8.399 3.302 1.00 0.00 H new ATOM 0 HD2 LYS A 49 55.830 6.654 3.110 1.00 0.00 H new ATOM 0 HD3 LYS A 49 54.259 5.897 3.287 1.00 0.00 H new ATOM 0 HE2 LYS A 49 54.144 5.533 0.806 1.00 0.00 H new ATOM 0 HE3 LYS A 49 55.701 6.314 0.613 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 55.933 3.907 0.707 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 56.698 4.617 2.045 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 55.190 3.861 2.233 1.00 0.00 H new ATOM 734 N ASP A 50 49.736 8.977 1.492 1.00 0.00 N ATOM 735 CA ASP A 50 48.391 8.854 0.846 1.00 0.00 C ATOM 736 C ASP A 50 47.264 9.307 1.802 1.00 0.00 C ATOM 737 O ASP A 50 46.309 8.591 2.036 1.00 0.00 O ATOM 738 CB ASP A 50 48.206 7.363 0.414 1.00 0.00 C ATOM 739 CG ASP A 50 46.868 7.164 -0.329 1.00 0.00 C ATOM 740 OD1 ASP A 50 46.731 7.777 -1.376 1.00 0.00 O ATOM 741 OD2 ASP A 50 46.058 6.413 0.190 1.00 0.00 O ATOM 0 H ASP A 50 49.720 9.099 2.505 1.00 0.00 H new ATOM 0 HA ASP A 50 48.334 9.506 -0.026 1.00 0.00 H new ATOM 0 HB2 ASP A 50 49.032 7.062 -0.230 1.00 0.00 H new ATOM 0 HB3 ASP A 50 48.237 6.719 1.293 1.00 0.00 H new ATOM 746 N SER A 51 47.402 10.497 2.336 1.00 0.00 N ATOM 747 CA SER A 51 46.364 11.036 3.273 1.00 0.00 C ATOM 748 C SER A 51 45.227 11.676 2.429 1.00 0.00 C ATOM 749 O SER A 51 45.023 11.297 1.291 1.00 0.00 O ATOM 750 CB SER A 51 47.086 12.053 4.185 1.00 0.00 C ATOM 751 OG SER A 51 46.129 12.461 5.154 1.00 0.00 O ATOM 0 H SER A 51 48.191 11.120 2.163 1.00 0.00 H new ATOM 0 HA SER A 51 45.902 10.270 3.896 1.00 0.00 H new ATOM 0 HB2 SER A 51 47.955 11.600 4.662 1.00 0.00 H new ATOM 0 HB3 SER A 51 47.446 12.906 3.610 1.00 0.00 H new ATOM 0 HG SER A 51 46.176 11.866 5.931 1.00 0.00 H new ATOM 757 N SER A 52 44.522 12.619 3.002 1.00 0.00 N ATOM 758 CA SER A 52 43.397 13.330 2.319 1.00 0.00 C ATOM 759 C SER A 52 43.292 14.735 2.956 1.00 0.00 C ATOM 760 O SER A 52 42.270 15.389 2.892 1.00 0.00 O ATOM 761 CB SER A 52 42.104 12.512 2.535 1.00 0.00 C ATOM 762 OG SER A 52 41.092 13.217 1.828 1.00 0.00 O ATOM 0 H SER A 52 44.688 12.938 3.956 1.00 0.00 H new ATOM 0 HA SER A 52 43.559 13.432 1.246 1.00 0.00 H new ATOM 0 HB2 SER A 52 42.213 11.496 2.156 1.00 0.00 H new ATOM 0 HB3 SER A 52 41.861 12.433 3.595 1.00 0.00 H new ATOM 0 HG SER A 52 41.006 14.121 2.196 1.00 0.00 H new ATOM 768 N GLU A 53 44.385 15.136 3.558 1.00 0.00 N ATOM 769 CA GLU A 53 44.517 16.461 4.244 1.00 0.00 C ATOM 770 C GLU A 53 45.998 16.831 4.157 1.00 0.00 C ATOM 771 O GLU A 53 46.839 15.969 4.313 1.00 0.00 O ATOM 772 CB GLU A 53 44.113 16.355 5.727 1.00 0.00 C ATOM 773 CG GLU A 53 42.643 15.921 5.865 1.00 0.00 C ATOM 774 CD GLU A 53 42.274 15.867 7.356 1.00 0.00 C ATOM 775 OE1 GLU A 53 42.670 14.895 7.981 1.00 0.00 O ATOM 776 OE2 GLU A 53 41.618 16.802 7.788 1.00 0.00 O ATOM 0 H GLU A 53 45.232 14.570 3.603 1.00 0.00 H new ATOM 0 HA GLU A 53 43.871 17.204 3.776 1.00 0.00 H new ATOM 0 HB2 GLU A 53 44.758 15.637 6.233 1.00 0.00 H new ATOM 0 HB3 GLU A 53 44.260 17.317 6.218 1.00 0.00 H new ATOM 0 HG2 GLU A 53 41.993 16.622 5.342 1.00 0.00 H new ATOM 0 HG3 GLU A 53 42.494 14.944 5.405 1.00 0.00 H new ATOM 783 N CYS A 54 46.272 18.088 3.914 1.00 0.00 N ATOM 784 CA CYS A 54 47.690 18.555 3.806 1.00 0.00 C ATOM 785 C CYS A 54 48.074 19.472 4.974 1.00 0.00 C ATOM 786 O CYS A 54 47.263 20.241 5.450 1.00 0.00 O ATOM 787 CB CYS A 54 47.865 19.322 2.501 1.00 0.00 C ATOM 788 SG CYS A 54 47.461 18.505 0.939 1.00 0.00 S ATOM 0 H CYS A 54 45.570 18.817 3.785 1.00 0.00 H new ATOM 0 HA CYS A 54 48.337 17.678 3.831 1.00 0.00 H new ATOM 0 HB2 CYS A 54 47.257 20.224 2.566 1.00 0.00 H new ATOM 0 HB3 CYS A 54 48.906 19.642 2.445 1.00 0.00 H new ATOM 793 N VAL A 55 49.310 19.348 5.389 1.00 0.00 N ATOM 794 CA VAL A 55 49.851 20.171 6.512 1.00 0.00 C ATOM 795 C VAL A 55 51.179 20.785 6.059 1.00 0.00 C ATOM 796 O VAL A 55 51.774 20.347 5.095 1.00 0.00 O ATOM 797 CB VAL A 55 50.108 19.300 7.767 1.00 0.00 C ATOM 798 CG1 VAL A 55 48.829 18.589 8.232 1.00 0.00 C ATOM 799 CG2 VAL A 55 51.251 18.268 7.552 1.00 0.00 C ATOM 0 H VAL A 55 49.982 18.695 4.986 1.00 0.00 H new ATOM 0 HA VAL A 55 49.125 20.942 6.769 1.00 0.00 H new ATOM 0 HB VAL A 55 50.428 19.986 8.551 1.00 0.00 H new ATOM 0 HG11 VAL A 55 49.047 17.987 9.114 1.00 0.00 H new ATOM 0 HG12 VAL A 55 48.069 19.331 8.478 1.00 0.00 H new ATOM 0 HG13 VAL A 55 48.461 17.943 7.435 1.00 0.00 H new ATOM 0 HG21 VAL A 55 51.390 17.684 8.462 1.00 0.00 H new ATOM 0 HG22 VAL A 55 50.990 17.602 6.730 1.00 0.00 H new ATOM 0 HG23 VAL A 55 52.176 18.794 7.314 1.00 0.00 H new ATOM 809 N HIS A 56 51.606 21.782 6.780 1.00 0.00 N ATOM 810 CA HIS A 56 52.885 22.483 6.459 1.00 0.00 C ATOM 811 C HIS A 56 54.136 21.576 6.465 1.00 0.00 C ATOM 812 O HIS A 56 54.182 20.595 7.183 1.00 0.00 O ATOM 813 CB HIS A 56 53.064 23.595 7.470 1.00 0.00 C ATOM 814 CG HIS A 56 51.915 24.595 7.314 1.00 0.00 C ATOM 815 ND1 HIS A 56 51.793 25.431 6.336 1.00 0.00 N ATOM 816 CD2 HIS A 56 50.810 24.834 8.110 1.00 0.00 C ATOM 817 CE1 HIS A 56 50.716 26.132 6.495 1.00 0.00 C ATOM 818 NE2 HIS A 56 50.073 25.794 7.586 1.00 0.00 N ATOM 0 H HIS A 56 51.115 22.150 7.595 1.00 0.00 H new ATOM 0 HA HIS A 56 52.803 22.854 5.437 1.00 0.00 H new ATOM 0 HB2 HIS A 56 53.075 23.188 8.481 1.00 0.00 H new ATOM 0 HB3 HIS A 56 54.021 24.093 7.317 1.00 0.00 H new ATOM 0 HD1 HIS A 56 52.446 25.524 5.558 1.00 0.00 H new ATOM 0 HD2 HIS A 56 50.583 24.311 9.027 1.00 0.00 H new ATOM 0 HE1 HIS A 56 50.388 26.901 5.812 1.00 0.00 H new ATOM 826 N PRO A 57 55.121 21.939 5.667 1.00 0.00 N ATOM 827 CA PRO A 57 56.470 21.351 5.760 1.00 0.00 C ATOM 828 C PRO A 57 57.255 21.900 6.967 1.00 0.00 C ATOM 829 O PRO A 57 58.452 21.702 7.060 1.00 0.00 O ATOM 830 CB PRO A 57 57.118 21.757 4.428 1.00 0.00 C ATOM 831 CG PRO A 57 56.474 23.049 4.090 1.00 0.00 C ATOM 832 CD PRO A 57 55.060 22.949 4.587 1.00 0.00 C ATOM 0 HA PRO A 57 56.453 20.272 5.916 1.00 0.00 H new ATOM 0 HB2 PRO A 57 58.198 21.864 4.527 1.00 0.00 H new ATOM 0 HB3 PRO A 57 56.941 21.009 3.655 1.00 0.00 H new ATOM 0 HG2 PRO A 57 56.996 23.881 4.563 1.00 0.00 H new ATOM 0 HG3 PRO A 57 56.498 23.228 3.015 1.00 0.00 H new ATOM 0 HD2 PRO A 57 54.701 23.908 4.960 1.00 0.00 H new ATOM 0 HD3 PRO A 57 54.380 22.641 3.793 1.00 0.00 H new ATOM 840 N SER A 58 56.546 22.571 7.841 1.00 0.00 N ATOM 841 CA SER A 58 57.171 23.154 9.066 1.00 0.00 C ATOM 842 C SER A 58 57.216 22.033 10.114 1.00 0.00 C ATOM 843 O SER A 58 58.172 21.902 10.853 1.00 0.00 O ATOM 844 CB SER A 58 56.307 24.337 9.559 1.00 0.00 C ATOM 845 OG SER A 58 55.025 23.786 9.826 1.00 0.00 O ATOM 0 H SER A 58 55.544 22.741 7.755 1.00 0.00 H new ATOM 0 HA SER A 58 58.176 23.530 8.874 1.00 0.00 H new ATOM 0 HB2 SER A 58 56.734 24.788 10.454 1.00 0.00 H new ATOM 0 HB3 SER A 58 56.248 25.121 8.804 1.00 0.00 H new ATOM 0 HG SER A 58 54.426 24.492 10.147 1.00 0.00 H new ATOM 851 N LYS A 59 56.157 21.262 10.119 1.00 0.00 N ATOM 852 CA LYS A 59 56.019 20.114 11.062 1.00 0.00 C ATOM 853 C LYS A 59 56.496 18.866 10.308 1.00 0.00 C ATOM 854 O LYS A 59 57.143 18.005 10.869 1.00 0.00 O ATOM 855 CB LYS A 59 54.530 19.998 11.489 1.00 0.00 C ATOM 856 CG LYS A 59 53.587 19.754 10.295 1.00 0.00 C ATOM 857 CD LYS A 59 52.131 19.680 10.791 1.00 0.00 C ATOM 858 CE LYS A 59 51.643 21.034 11.346 1.00 0.00 C ATOM 859 NZ LYS A 59 50.220 20.913 11.765 1.00 0.00 N ATOM 0 H LYS A 59 55.363 21.386 9.491 1.00 0.00 H new ATOM 0 HA LYS A 59 56.612 20.241 11.968 1.00 0.00 H new ATOM 0 HB2 LYS A 59 54.424 19.182 12.204 1.00 0.00 H new ATOM 0 HB3 LYS A 59 54.231 20.912 12.002 1.00 0.00 H new ATOM 0 HG2 LYS A 59 53.693 20.557 9.566 1.00 0.00 H new ATOM 0 HG3 LYS A 59 53.857 18.827 9.789 1.00 0.00 H new ATOM 0 HD2 LYS A 59 51.484 19.369 9.971 1.00 0.00 H new ATOM 0 HD3 LYS A 59 52.050 18.919 11.567 1.00 0.00 H new ATOM 0 HE2 LYS A 59 52.259 21.335 12.194 1.00 0.00 H new ATOM 0 HE3 LYS A 59 51.745 21.809 10.586 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 49.890 21.825 12.139 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 49.639 20.644 10.946 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 50.136 20.185 12.503 1.00 0.00 H new ATOM 873 N CYS A 60 56.148 18.827 9.045 1.00 0.00 N ATOM 874 CA CYS A 60 56.535 17.686 8.163 1.00 0.00 C ATOM 875 C CYS A 60 57.904 17.874 7.489 1.00 0.00 C ATOM 876 O CYS A 60 58.283 19.019 7.330 1.00 0.00 O ATOM 877 CB CYS A 60 55.441 17.509 7.110 1.00 0.00 C ATOM 878 SG CYS A 60 53.975 16.603 7.657 1.00 0.00 S ATOM 879 OXT CYS A 60 58.495 16.855 7.169 1.00 0.00 O ATOM 0 H CYS A 60 55.602 19.553 8.581 1.00 0.00 H new ATOM 0 HA CYS A 60 56.633 16.795 8.783 1.00 0.00 H new ATOM 0 HB2 CYS A 60 55.130 18.495 6.765 1.00 0.00 H new ATOM 0 HB3 CYS A 60 55.868 16.991 6.251 1.00 0.00 H new TER 884 CYS A 60