USER MOD reduce.3.24.130724 H: found=0, std=0, add=286, rem=0, adj=11 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 X(o=0,f=0) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 25:sc= 0.704 USER MOD Single : A 9 ASN : amide:sc= -0.115 K(o=-0.11,f=-4.9!) USER MOD Single : A 10 SER OG : rot 27:sc= 0.257 USER MOD Single : A 16 THR OG1 : rot 21:sc= 0.813 USER MOD Single : A 19 GLN :FLIP amide:sc= 0.539 F(o=0,f=0.54) USER MOD Single : A 22 LYS NZ :NH3+ 151:sc= -0.171 (180deg=-1.39) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot -100:sc= -0.86 USER MOD Single : A 27 GLN : amide:sc= -0.124 K(o=-0.12,f=-2) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 TYR OH : rot 120:sc= 0 USER MOD Single : A 34 THR OG1 : rot 36:sc= 0.00113 USER MOD Single : A 36 ASN : amide:sc= -0.391 X(o=-0.39,f=-0.57) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 32.190 32.337 29.106 1.00 0.00 N ATOM 2 CA LEU A 1 33.557 31.844 28.800 1.00 0.00 C ATOM 3 C LEU A 1 33.442 30.427 28.236 1.00 0.00 C ATOM 4 O LEU A 1 32.788 30.287 27.215 1.00 0.00 O ATOM 5 CB LEU A 1 34.552 31.989 29.986 1.00 0.00 C ATOM 6 CG LEU A 1 35.566 33.133 29.917 1.00 0.00 C ATOM 7 CD1 LEU A 1 36.593 32.846 31.014 1.00 0.00 C ATOM 8 CD2 LEU A 1 36.316 33.120 28.587 1.00 0.00 C ATOM 0 H1 LEU A 1 32.247 33.301 29.491 1.00 0.00 H new ATOM 0 H2 LEU A 1 31.621 32.345 28.236 1.00 0.00 H new ATOM 0 H3 LEU A 1 31.743 31.710 29.806 1.00 0.00 H new ATOM 0 HA LEU A 1 34.008 32.480 28.039 1.00 0.00 H new ATOM 0 HB2 LEU A 1 33.971 32.108 30.901 1.00 0.00 H new ATOM 0 HB3 LEU A 1 35.104 31.054 30.079 1.00 0.00 H new ATOM 0 HG LEU A 1 35.058 34.091 30.028 1.00 0.00 H new ATOM 0 HD11 LEU A 1 37.350 33.631 31.018 1.00 0.00 H new ATOM 0 HD12 LEU A 1 36.093 32.819 31.982 1.00 0.00 H new ATOM 0 HD13 LEU A 1 37.069 31.884 30.824 1.00 0.00 H new ATOM 0 HD21 LEU A 1 37.030 33.943 28.564 1.00 0.00 H new ATOM 0 HD22 LEU A 1 36.848 32.175 28.478 1.00 0.00 H new ATOM 0 HD23 LEU A 1 35.606 33.233 27.768 1.00 0.00 H new ATOM 20 N CYS A 2 34.021 29.407 28.874 1.00 0.00 N ATOM 21 CA CYS A 2 34.049 28.025 28.416 1.00 0.00 C ATOM 22 C CYS A 2 32.658 27.380 28.533 1.00 0.00 C ATOM 23 O CYS A 2 32.168 26.812 27.568 1.00 0.00 O ATOM 24 CB CYS A 2 35.115 27.320 29.258 1.00 0.00 C ATOM 25 SG CYS A 2 35.394 25.568 28.859 1.00 0.00 S ATOM 0 H CYS A 2 34.504 29.533 29.764 1.00 0.00 H new ATOM 0 HA CYS A 2 34.304 27.948 27.359 1.00 0.00 H new ATOM 0 HB2 CYS A 2 36.057 27.856 29.143 1.00 0.00 H new ATOM 0 HB3 CYS A 2 34.832 27.395 30.308 1.00 0.00 H new ATOM 30 N ASN A 3 32.014 27.505 29.699 1.00 0.00 N ATOM 31 CA ASN A 3 30.640 27.066 29.946 1.00 0.00 C ATOM 32 C ASN A 3 29.646 28.017 29.237 1.00 0.00 C ATOM 33 O ASN A 3 29.279 29.040 29.814 1.00 0.00 O ATOM 34 CB ASN A 3 30.383 27.055 31.469 1.00 0.00 C ATOM 35 CG ASN A 3 30.893 25.810 32.163 1.00 0.00 C ATOM 36 OD1 ASN A 3 32.087 25.611 32.346 1.00 0.00 O ATOM 37 ND2 ASN A 3 29.994 24.957 32.599 1.00 0.00 N ATOM 0 H ASN A 3 32.449 27.927 30.519 1.00 0.00 H new ATOM 0 HA ASN A 3 30.496 26.061 29.548 1.00 0.00 H new ATOM 0 HB2 ASN A 3 30.858 27.929 31.915 1.00 0.00 H new ATOM 0 HB3 ASN A 3 29.312 27.147 31.649 1.00 0.00 H new ATOM 0 HD21 ASN A 3 30.288 24.117 33.097 1.00 0.00 H new ATOM 0 HD22 ASN A 3 29.002 25.135 32.440 1.00 0.00 H new ATOM 44 N GLU A 4 29.250 27.705 28.000 1.00 0.00 N ATOM 45 CA GLU A 4 28.282 28.459 27.182 1.00 0.00 C ATOM 46 C GLU A 4 27.519 27.543 26.186 1.00 0.00 C ATOM 47 O GLU A 4 27.874 26.370 26.046 1.00 0.00 O ATOM 48 CB GLU A 4 29.030 29.586 26.434 1.00 0.00 C ATOM 49 CG GLU A 4 29.205 30.900 27.215 1.00 0.00 C ATOM 50 CD GLU A 4 27.907 31.559 27.730 1.00 0.00 C ATOM 51 OE1 GLU A 4 27.296 31.074 28.712 1.00 0.00 O ATOM 52 OE2 GLU A 4 27.567 32.651 27.221 1.00 0.00 O ATOM 0 H GLU A 4 29.609 26.883 27.515 1.00 0.00 H new ATOM 0 HA GLU A 4 27.530 28.890 27.843 1.00 0.00 H new ATOM 0 HB2 GLU A 4 30.016 29.218 26.152 1.00 0.00 H new ATOM 0 HB3 GLU A 4 28.494 29.802 25.510 1.00 0.00 H new ATOM 0 HG2 GLU A 4 29.855 30.708 28.069 1.00 0.00 H new ATOM 0 HG3 GLU A 4 29.722 31.614 26.574 1.00 0.00 H new ATOM 59 N PRO A 5 26.444 28.016 25.514 1.00 0.00 N ATOM 60 CA PRO A 5 25.660 27.211 24.558 1.00 0.00 C ATOM 61 C PRO A 5 26.317 27.051 23.168 1.00 0.00 C ATOM 62 O PRO A 5 27.100 27.898 22.744 1.00 0.00 O ATOM 63 CB PRO A 5 24.328 27.956 24.436 1.00 0.00 C ATOM 64 CG PRO A 5 24.719 29.418 24.662 1.00 0.00 C ATOM 65 CD PRO A 5 25.811 29.317 25.725 1.00 0.00 C ATOM 0 HA PRO A 5 25.565 26.188 24.922 1.00 0.00 H new ATOM 0 HB2 PRO A 5 23.873 27.808 23.457 1.00 0.00 H new ATOM 0 HB3 PRO A 5 23.606 27.614 25.178 1.00 0.00 H new ATOM 0 HG2 PRO A 5 25.087 29.884 23.748 1.00 0.00 H new ATOM 0 HG3 PRO A 5 23.874 30.014 25.006 1.00 0.00 H new ATOM 0 HD2 PRO A 5 26.534 30.126 25.623 1.00 0.00 H new ATOM 0 HD3 PRO A 5 25.390 29.390 26.728 1.00 0.00 H new ATOM 73 N CYS A 6 25.949 25.996 22.423 1.00 0.00 N ATOM 74 CA CYS A 6 26.474 25.682 21.075 1.00 0.00 C ATOM 75 C CYS A 6 25.510 24.848 20.196 1.00 0.00 C ATOM 76 O CYS A 6 24.404 24.497 20.605 1.00 0.00 O ATOM 77 CB CYS A 6 27.810 24.945 21.254 1.00 0.00 C ATOM 78 SG CYS A 6 27.713 23.401 22.206 1.00 0.00 S ATOM 0 H CYS A 6 25.260 25.317 22.746 1.00 0.00 H new ATOM 0 HA CYS A 6 26.600 26.623 20.539 1.00 0.00 H new ATOM 0 HB2 CYS A 6 28.219 24.722 20.269 1.00 0.00 H new ATOM 0 HB3 CYS A 6 28.514 25.615 21.747 1.00 0.00 H new ATOM 83 N SER A 7 25.913 24.536 18.958 1.00 0.00 N ATOM 84 CA SER A 7 25.230 23.664 17.982 1.00 0.00 C ATOM 85 C SER A 7 26.177 22.665 17.282 1.00 0.00 C ATOM 86 O SER A 7 25.713 21.678 16.705 1.00 0.00 O ATOM 87 CB SER A 7 24.537 24.529 16.926 1.00 0.00 C ATOM 88 OG SER A 7 23.400 25.154 17.488 1.00 0.00 O ATOM 0 H SER A 7 26.784 24.910 18.582 1.00 0.00 H new ATOM 0 HA SER A 7 24.506 23.073 18.542 1.00 0.00 H new ATOM 0 HB2 SER A 7 25.229 25.283 16.550 1.00 0.00 H new ATOM 0 HB3 SER A 7 24.242 23.914 16.076 1.00 0.00 H new ATOM 0 HG SER A 7 22.962 25.707 16.808 1.00 0.00 H new ATOM 94 N SER A 8 27.492 22.896 17.317 1.00 0.00 N ATOM 95 CA SER A 8 28.590 22.044 16.827 1.00 0.00 C ATOM 96 C SER A 8 29.917 22.393 17.533 1.00 0.00 C ATOM 97 O SER A 8 29.966 23.278 18.380 1.00 0.00 O ATOM 98 CB SER A 8 28.713 22.171 15.301 1.00 0.00 C ATOM 99 OG SER A 8 27.718 21.358 14.704 1.00 0.00 O ATOM 0 H SER A 8 27.852 23.759 17.724 1.00 0.00 H new ATOM 0 HA SER A 8 28.362 21.005 17.065 1.00 0.00 H new ATOM 0 HB2 SER A 8 28.588 23.210 14.995 1.00 0.00 H new ATOM 0 HB3 SER A 8 29.705 21.859 14.973 1.00 0.00 H new ATOM 0 HG SER A 8 26.973 21.241 15.329 1.00 0.00 H new ATOM 105 N ASN A 9 31.007 21.676 17.242 1.00 0.00 N ATOM 106 CA ASN A 9 32.335 21.884 17.853 1.00 0.00 C ATOM 107 C ASN A 9 32.935 23.284 17.620 1.00 0.00 C ATOM 108 O ASN A 9 33.495 23.904 18.522 1.00 0.00 O ATOM 109 CB ASN A 9 33.329 20.814 17.333 1.00 0.00 C ATOM 110 CG ASN A 9 33.264 20.486 15.845 1.00 0.00 C ATOM 111 OD1 ASN A 9 32.726 21.213 15.031 1.00 0.00 O ATOM 112 ND2 ASN A 9 33.800 19.363 15.437 1.00 0.00 N ATOM 0 H ASN A 9 30.996 20.917 16.561 1.00 0.00 H new ATOM 0 HA ASN A 9 32.178 21.791 18.928 1.00 0.00 H new ATOM 0 HB2 ASN A 9 34.340 21.148 17.564 1.00 0.00 H new ATOM 0 HB3 ASN A 9 33.162 19.893 17.892 1.00 0.00 H new ATOM 0 HD21 ASN A 9 33.763 19.109 14.450 1.00 0.00 H new ATOM 0 HD22 ASN A 9 34.255 18.742 16.106 1.00 0.00 H new ATOM 119 N SER A 10 32.841 23.766 16.388 1.00 0.00 N ATOM 120 CA SER A 10 33.433 25.007 15.880 1.00 0.00 C ATOM 121 C SER A 10 32.958 26.280 16.566 1.00 0.00 C ATOM 122 O SER A 10 33.683 27.265 16.657 1.00 0.00 O ATOM 123 CB SER A 10 33.166 25.039 14.384 1.00 0.00 C ATOM 124 OG SER A 10 31.791 24.836 14.064 1.00 0.00 O ATOM 0 H SER A 10 32.316 23.272 15.666 1.00 0.00 H new ATOM 0 HA SER A 10 34.500 24.994 16.104 1.00 0.00 H new ATOM 0 HB2 SER A 10 33.490 25.999 13.982 1.00 0.00 H new ATOM 0 HB3 SER A 10 33.765 24.270 13.896 1.00 0.00 H new ATOM 0 HG SER A 10 31.234 25.128 14.815 1.00 0.00 H new ATOM 130 N ASP A 11 31.767 26.197 17.124 1.00 0.00 N ATOM 131 CA ASP A 11 31.024 27.154 17.921 1.00 0.00 C ATOM 132 C ASP A 11 31.693 27.450 19.276 1.00 0.00 C ATOM 133 O ASP A 11 31.355 28.432 19.932 1.00 0.00 O ATOM 134 CB ASP A 11 29.655 26.508 18.197 1.00 0.00 C ATOM 135 CG ASP A 11 28.889 25.887 17.011 1.00 0.00 C ATOM 136 OD1 ASP A 11 29.493 25.452 15.996 1.00 0.00 O ATOM 137 OD2 ASP A 11 27.663 25.720 17.195 1.00 0.00 O ATOM 0 H ASP A 11 31.225 25.340 17.013 1.00 0.00 H new ATOM 0 HA ASP A 11 30.963 28.098 17.379 1.00 0.00 H new ATOM 0 HB2 ASP A 11 29.800 25.728 18.945 1.00 0.00 H new ATOM 0 HB3 ASP A 11 29.014 27.266 18.647 1.00 0.00 H new ATOM 142 N CYS A 12 32.667 26.624 19.680 1.00 0.00 N ATOM 143 CA CYS A 12 33.335 26.673 20.982 1.00 0.00 C ATOM 144 C CYS A 12 34.863 26.746 20.838 1.00 0.00 C ATOM 145 O CYS A 12 35.602 26.749 21.824 1.00 0.00 O ATOM 146 CB CYS A 12 32.962 25.423 21.786 1.00 0.00 C ATOM 147 SG CYS A 12 31.221 24.965 21.968 1.00 0.00 S ATOM 0 H CYS A 12 33.023 25.876 19.085 1.00 0.00 H new ATOM 0 HA CYS A 12 33.003 27.574 21.497 1.00 0.00 H new ATOM 0 HB2 CYS A 12 33.476 24.577 21.330 1.00 0.00 H new ATOM 0 HB3 CYS A 12 33.374 25.545 22.788 1.00 0.00 H new ATOM 152 N ILE A 13 35.347 26.778 19.595 1.00 0.00 N ATOM 153 CA ILE A 13 36.724 26.863 19.180 1.00 0.00 C ATOM 154 C ILE A 13 37.085 28.348 19.057 1.00 0.00 C ATOM 155 O ILE A 13 36.311 29.157 18.543 1.00 0.00 O ATOM 156 CB ILE A 13 36.805 26.114 17.850 1.00 0.00 C ATOM 157 CG1 ILE A 13 36.811 24.613 18.166 1.00 0.00 C ATOM 158 CG2 ILE A 13 38.058 26.477 17.098 1.00 0.00 C ATOM 159 CD1 ILE A 13 36.958 23.667 16.983 1.00 0.00 C ATOM 0 H ILE A 13 34.719 26.741 18.792 1.00 0.00 H new ATOM 0 HA ILE A 13 37.431 26.419 19.881 1.00 0.00 H new ATOM 0 HB ILE A 13 35.954 26.383 17.224 1.00 0.00 H new ATOM 0 HG12 ILE A 13 37.625 24.415 18.863 1.00 0.00 H new ATOM 0 HG13 ILE A 13 35.883 24.370 18.683 1.00 0.00 H new ATOM 0 HG21 ILE A 13 38.089 25.929 16.156 1.00 0.00 H new ATOM 0 HG22 ILE A 13 38.063 27.548 16.895 1.00 0.00 H new ATOM 0 HG23 ILE A 13 38.930 26.217 17.698 1.00 0.00 H new ATOM 0 HD11 ILE A 13 36.948 22.636 17.338 1.00 0.00 H new ATOM 0 HD12 ILE A 13 36.131 23.820 16.290 1.00 0.00 H new ATOM 0 HD13 ILE A 13 37.901 23.866 16.473 1.00 0.00 H new ATOM 171 N GLY A 14 38.289 28.711 19.486 1.00 0.00 N ATOM 172 CA GLY A 14 38.843 30.067 19.374 1.00 0.00 C ATOM 173 C GLY A 14 38.235 31.100 20.337 1.00 0.00 C ATOM 174 O GLY A 14 38.972 31.895 20.917 1.00 0.00 O ATOM 0 H GLY A 14 38.929 28.056 19.935 1.00 0.00 H new ATOM 0 HA2 GLY A 14 39.918 30.019 19.548 1.00 0.00 H new ATOM 0 HA3 GLY A 14 38.701 30.418 18.352 1.00 0.00 H new ATOM 178 N ILE A 15 36.912 31.067 20.552 1.00 0.00 N ATOM 179 CA ILE A 15 36.174 31.902 21.521 1.00 0.00 C ATOM 180 C ILE A 15 36.690 31.683 22.946 1.00 0.00 C ATOM 181 O ILE A 15 36.647 32.565 23.801 1.00 0.00 O ATOM 182 CB ILE A 15 34.644 31.726 21.360 1.00 0.00 C ATOM 183 CG1 ILE A 15 34.026 30.330 21.585 1.00 0.00 C ATOM 184 CG2 ILE A 15 34.287 32.102 19.920 1.00 0.00 C ATOM 185 CD1 ILE A 15 34.122 29.818 23.018 1.00 0.00 C ATOM 0 H ILE A 15 36.299 30.434 20.037 1.00 0.00 H new ATOM 0 HA ILE A 15 36.367 32.952 21.303 1.00 0.00 H new ATOM 0 HB ILE A 15 34.237 32.352 22.154 1.00 0.00 H new ATOM 0 HG12 ILE A 15 32.976 30.360 21.293 1.00 0.00 H new ATOM 0 HG13 ILE A 15 34.520 29.617 20.924 1.00 0.00 H new ATOM 0 HG21 ILE A 15 33.213 31.989 19.770 1.00 0.00 H new ATOM 0 HG22 ILE A 15 34.573 33.137 19.733 1.00 0.00 H new ATOM 0 HG23 ILE A 15 34.820 31.448 19.230 1.00 0.00 H new ATOM 0 HD11 ILE A 15 33.663 28.832 23.083 1.00 0.00 H new ATOM 0 HD12 ILE A 15 35.170 29.751 23.311 1.00 0.00 H new ATOM 0 HD13 ILE A 15 33.602 30.505 23.685 1.00 0.00 H new ATOM 197 N THR A 16 37.178 30.473 23.186 1.00 0.00 N ATOM 198 CA THR A 16 37.860 29.907 24.326 1.00 0.00 C ATOM 199 C THR A 16 38.456 28.571 23.822 1.00 0.00 C ATOM 200 O THR A 16 38.079 28.065 22.765 1.00 0.00 O ATOM 201 CB THR A 16 36.851 29.722 25.465 1.00 0.00 C ATOM 202 OG1 THR A 16 36.446 30.964 25.988 1.00 0.00 O ATOM 203 CG2 THR A 16 37.462 28.973 26.619 1.00 0.00 C ATOM 0 H THR A 16 37.084 29.760 22.463 1.00 0.00 H new ATOM 0 HA THR A 16 38.655 30.538 24.723 1.00 0.00 H new ATOM 0 HB THR A 16 36.011 29.175 25.037 1.00 0.00 H new ATOM 0 HG1 THR A 16 36.613 31.668 25.327 1.00 0.00 H new ATOM 0 HG21 THR A 16 36.722 28.858 27.411 1.00 0.00 H new ATOM 0 HG22 THR A 16 37.789 27.989 26.282 1.00 0.00 H new ATOM 0 HG23 THR A 16 38.318 29.529 27.001 1.00 0.00 H new ATOM 211 N LEU A 17 39.399 27.974 24.548 1.00 0.00 N ATOM 212 CA LEU A 17 40.020 26.677 24.241 1.00 0.00 C ATOM 213 C LEU A 17 39.128 25.476 24.650 1.00 0.00 C ATOM 214 O LEU A 17 39.619 24.520 25.242 1.00 0.00 O ATOM 215 CB LEU A 17 41.408 26.630 24.922 1.00 0.00 C ATOM 216 CG LEU A 17 42.267 27.891 24.817 1.00 0.00 C ATOM 217 CD1 LEU A 17 43.569 27.525 25.504 1.00 0.00 C ATOM 218 CD2 LEU A 17 42.518 28.272 23.366 1.00 0.00 C ATOM 0 H LEU A 17 39.769 28.393 25.401 1.00 0.00 H new ATOM 0 HA LEU A 17 40.138 26.586 23.161 1.00 0.00 H new ATOM 0 HB2 LEU A 17 41.261 26.405 25.978 1.00 0.00 H new ATOM 0 HB3 LEU A 17 41.969 25.799 24.494 1.00 0.00 H new ATOM 0 HG LEU A 17 41.779 28.752 25.274 1.00 0.00 H new ATOM 0 HD11 LEU A 17 44.248 28.377 25.475 1.00 0.00 H new ATOM 0 HD12 LEU A 17 43.370 27.255 26.541 1.00 0.00 H new ATOM 0 HD13 LEU A 17 44.026 26.679 24.990 1.00 0.00 H new ATOM 0 HD21 LEU A 17 43.131 29.172 23.327 1.00 0.00 H new ATOM 0 HD22 LEU A 17 43.037 27.457 22.860 1.00 0.00 H new ATOM 0 HD23 LEU A 17 41.566 28.460 22.869 1.00 0.00 H new ATOM 230 N CYS A 18 37.827 25.498 24.328 1.00 0.00 N ATOM 231 CA CYS A 18 36.841 24.493 24.770 1.00 0.00 C ATOM 232 C CYS A 18 36.056 23.869 23.601 1.00 0.00 C ATOM 233 O CYS A 18 34.834 23.920 23.564 1.00 0.00 O ATOM 234 CB CYS A 18 35.933 25.143 25.833 1.00 0.00 C ATOM 235 SG CYS A 18 36.803 25.520 27.384 1.00 0.00 S ATOM 0 H CYS A 18 37.420 26.227 23.742 1.00 0.00 H new ATOM 0 HA CYS A 18 37.363 23.647 25.218 1.00 0.00 H new ATOM 0 HB2 CYS A 18 35.511 26.063 25.428 1.00 0.00 H new ATOM 0 HB3 CYS A 18 35.098 24.476 26.045 1.00 0.00 H new ATOM 240 N GLN A 19 36.753 23.225 22.656 1.00 0.00 N ATOM 241 CA GLN A 19 36.190 22.668 21.404 1.00 0.00 C ATOM 242 C GLN A 19 35.064 21.618 21.527 1.00 0.00 C ATOM 243 O GLN A 19 34.408 21.283 20.538 1.00 0.00 O ATOM 244 CB GLN A 19 37.306 22.044 20.545 1.00 0.00 C ATOM 245 CG GLN A 19 38.416 21.260 21.224 1.00 0.00 C ATOM 246 CD GLN A 19 39.293 20.591 20.160 1.00 0.00 C ATOM 247 OE1 GLN A 19 40.132 21.345 19.473 1.00 0.00 O flip ATOM 248 NE2 GLN A 19 39.196 19.403 19.881 1.00 0.00 N flip ATOM 0 H GLN A 19 37.758 23.069 22.738 1.00 0.00 H new ATOM 0 HA GLN A 19 35.726 23.544 20.950 1.00 0.00 H new ATOM 0 HB2 GLN A 19 36.831 21.380 19.822 1.00 0.00 H new ATOM 0 HB3 GLN A 19 37.773 22.850 19.979 1.00 0.00 H new ATOM 0 HG2 GLN A 19 39.019 21.924 21.843 1.00 0.00 H new ATOM 0 HG3 GLN A 19 37.991 20.506 21.887 1.00 0.00 H new ATOM 0 HE21 GLN A 19 38.553 18.808 20.402 1.00 0.00 H new ATOM 0 HE22 GLN A 19 39.759 19.009 19.127 1.00 0.00 H new ATOM 257 N PHE A 20 34.823 21.094 22.723 1.00 0.00 N ATOM 258 CA PHE A 20 33.905 19.991 22.945 1.00 0.00 C ATOM 259 C PHE A 20 32.463 20.390 23.252 1.00 0.00 C ATOM 260 O PHE A 20 32.019 20.366 24.395 1.00 0.00 O ATOM 261 CB PHE A 20 34.547 19.036 23.953 1.00 0.00 C ATOM 262 CG PHE A 20 35.882 18.500 23.452 1.00 0.00 C ATOM 263 CD1 PHE A 20 35.876 17.552 22.413 1.00 0.00 C ATOM 264 CD2 PHE A 20 37.116 18.962 23.967 1.00 0.00 C ATOM 265 CE1 PHE A 20 37.079 17.072 21.881 1.00 0.00 C ATOM 266 CE2 PHE A 20 38.323 18.479 23.431 1.00 0.00 C ATOM 267 CZ PHE A 20 38.302 17.540 22.386 1.00 0.00 C ATOM 0 H PHE A 20 35.268 21.431 23.577 1.00 0.00 H new ATOM 0 HA PHE A 20 33.761 19.462 22.003 1.00 0.00 H new ATOM 0 HB2 PHE A 20 34.696 19.554 24.901 1.00 0.00 H new ATOM 0 HB3 PHE A 20 33.871 18.204 24.147 1.00 0.00 H new ATOM 0 HD1 PHE A 20 34.936 17.191 22.022 1.00 0.00 H new ATOM 0 HD2 PHE A 20 37.131 19.684 24.770 1.00 0.00 H new ATOM 0 HE1 PHE A 20 37.066 16.343 21.084 1.00 0.00 H new ATOM 0 HE2 PHE A 20 39.266 18.830 23.823 1.00 0.00 H new ATOM 0 HZ PHE A 20 39.230 17.177 21.970 1.00 0.00 H new ATOM 277 N CYS A 21 31.708 20.724 22.201 1.00 0.00 N ATOM 278 CA CYS A 21 30.265 20.996 22.280 1.00 0.00 C ATOM 279 C CYS A 21 29.524 19.696 22.662 1.00 0.00 C ATOM 280 O CYS A 21 29.333 18.805 21.834 1.00 0.00 O ATOM 281 CB CYS A 21 29.764 21.560 20.945 1.00 0.00 C ATOM 282 SG CYS A 21 27.976 21.898 20.862 1.00 0.00 S ATOM 0 H CYS A 21 32.085 20.815 21.258 1.00 0.00 H new ATOM 0 HA CYS A 21 30.067 21.744 23.048 1.00 0.00 H new ATOM 0 HB2 CYS A 21 30.302 22.485 20.736 1.00 0.00 H new ATOM 0 HB3 CYS A 21 30.021 20.856 20.153 1.00 0.00 H new ATOM 287 N LYS A 22 29.173 19.551 23.941 1.00 0.00 N ATOM 288 CA LYS A 22 28.538 18.373 24.548 1.00 0.00 C ATOM 289 C LYS A 22 27.025 18.516 24.621 1.00 0.00 C ATOM 290 O LYS A 22 26.484 19.613 24.544 1.00 0.00 O ATOM 291 CB LYS A 22 29.091 18.197 25.981 1.00 0.00 C ATOM 292 CG LYS A 22 30.300 17.272 26.039 1.00 0.00 C ATOM 293 CD LYS A 22 29.934 15.816 25.705 1.00 0.00 C ATOM 294 CE LYS A 22 30.225 14.866 26.878 1.00 0.00 C ATOM 295 NZ LYS A 22 30.499 13.475 26.437 1.00 0.00 N ATOM 0 H LYS A 22 29.332 20.293 24.622 1.00 0.00 H new ATOM 0 HA LYS A 22 28.765 17.507 23.926 1.00 0.00 H new ATOM 0 HB2 LYS A 22 29.367 19.173 26.381 1.00 0.00 H new ATOM 0 HB3 LYS A 22 28.304 17.800 26.623 1.00 0.00 H new ATOM 0 HG2 LYS A 22 31.058 17.624 25.340 1.00 0.00 H new ATOM 0 HG3 LYS A 22 30.741 17.315 27.035 1.00 0.00 H new ATOM 0 HD2 LYS A 22 28.877 15.758 25.445 1.00 0.00 H new ATOM 0 HD3 LYS A 22 30.496 15.493 24.829 1.00 0.00 H new ATOM 0 HE2 LYS A 22 31.082 15.240 27.439 1.00 0.00 H new ATOM 0 HE3 LYS A 22 29.374 14.865 27.559 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 31.136 13.014 27.118 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 29.606 12.945 26.385 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 30.948 13.490 25.499 1.00 0.00 H new ATOM 309 N GLU A 23 26.342 17.398 24.864 1.00 0.00 N ATOM 310 CA GLU A 23 24.906 17.339 25.096 1.00 0.00 C ATOM 311 C GLU A 23 24.621 16.762 26.490 1.00 0.00 C ATOM 312 O GLU A 23 24.859 15.579 26.741 1.00 0.00 O ATOM 313 CB GLU A 23 24.196 16.560 23.981 1.00 0.00 C ATOM 314 CG GLU A 23 22.707 16.610 24.180 1.00 0.00 C ATOM 315 CD GLU A 23 21.943 15.849 23.093 1.00 0.00 C ATOM 316 OE1 GLU A 23 21.780 14.610 23.214 1.00 0.00 O ATOM 317 OE2 GLU A 23 21.449 16.505 22.155 1.00 0.00 O ATOM 0 H GLU A 23 26.790 16.482 24.905 1.00 0.00 H new ATOM 0 HA GLU A 23 24.500 18.350 25.070 1.00 0.00 H new ATOM 0 HB2 GLU A 23 24.455 16.983 23.010 1.00 0.00 H new ATOM 0 HB3 GLU A 23 24.535 15.524 23.978 1.00 0.00 H new ATOM 0 HG2 GLU A 23 22.460 16.190 25.155 1.00 0.00 H new ATOM 0 HG3 GLU A 23 22.380 17.650 24.189 1.00 0.00 H new ATOM 324 N LYS A 24 24.122 17.610 27.393 1.00 0.00 N ATOM 325 CA LYS A 24 23.692 17.282 28.757 1.00 0.00 C ATOM 326 C LYS A 24 22.398 18.011 29.093 1.00 0.00 C ATOM 327 O LYS A 24 21.857 18.749 28.276 1.00 0.00 O ATOM 328 CB LYS A 24 24.832 17.612 29.741 1.00 0.00 C ATOM 329 CG LYS A 24 25.117 19.122 29.930 1.00 0.00 C ATOM 330 CD LYS A 24 25.305 19.531 31.405 1.00 0.00 C ATOM 331 CE LYS A 24 26.636 19.066 32.005 1.00 0.00 C ATOM 332 NZ LYS A 24 26.456 18.265 33.238 1.00 0.00 N ATOM 0 H LYS A 24 24.000 18.600 27.181 1.00 0.00 H new ATOM 0 HA LYS A 24 23.479 16.216 28.839 1.00 0.00 H new ATOM 0 HB2 LYS A 24 24.590 17.179 30.712 1.00 0.00 H new ATOM 0 HB3 LYS A 24 25.744 17.126 29.393 1.00 0.00 H new ATOM 0 HG2 LYS A 24 26.014 19.388 29.370 1.00 0.00 H new ATOM 0 HG3 LYS A 24 24.294 19.695 29.504 1.00 0.00 H new ATOM 0 HD2 LYS A 24 25.240 20.616 31.484 1.00 0.00 H new ATOM 0 HD3 LYS A 24 24.486 19.119 31.995 1.00 0.00 H new ATOM 0 HE2 LYS A 24 27.176 18.473 31.267 1.00 0.00 H new ATOM 0 HE3 LYS A 24 27.253 19.936 32.228 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 27.386 17.976 33.603 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 25.965 18.837 33.955 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 25.890 17.419 33.023 1.00 0.00 H new ATOM 346 N THR A 25 21.914 17.802 30.305 1.00 0.00 N ATOM 347 CA THR A 25 20.746 18.497 30.837 1.00 0.00 C ATOM 348 C THR A 25 20.996 18.985 32.248 1.00 0.00 C ATOM 349 O THR A 25 21.973 18.625 32.909 1.00 0.00 O ATOM 350 CB THR A 25 19.472 17.654 30.701 1.00 0.00 C ATOM 351 OG1 THR A 25 18.325 18.268 31.212 1.00 0.00 O ATOM 352 CG2 THR A 25 19.505 16.409 31.508 1.00 0.00 C ATOM 0 H THR A 25 22.324 17.136 30.960 1.00 0.00 H new ATOM 0 HA THR A 25 20.576 19.387 30.231 1.00 0.00 H new ATOM 0 HB THR A 25 19.437 17.492 29.624 1.00 0.00 H new ATOM 0 HG1 THR A 25 18.130 17.907 32.102 1.00 0.00 H new ATOM 0 HG21 THR A 25 18.574 15.859 31.367 1.00 0.00 H new ATOM 0 HG22 THR A 25 20.344 15.791 31.189 1.00 0.00 H new ATOM 0 HG23 THR A 25 19.621 16.662 32.562 1.00 0.00 H new ATOM 360 N ASP A 26 20.093 19.846 32.651 1.00 0.00 N ATOM 361 CA ASP A 26 19.900 20.451 33.954 1.00 0.00 C ATOM 362 C ASP A 26 19.217 19.409 34.880 1.00 0.00 C ATOM 363 O ASP A 26 19.306 18.197 34.687 1.00 0.00 O ATOM 364 CB ASP A 26 19.051 21.723 33.709 1.00 0.00 C ATOM 365 CG ASP A 26 17.687 21.460 33.064 1.00 0.00 C ATOM 366 OD1 ASP A 26 17.246 20.285 33.030 1.00 0.00 O ATOM 367 OD2 ASP A 26 17.082 22.438 32.593 1.00 0.00 O ATOM 0 H ASP A 26 19.388 20.182 31.995 1.00 0.00 H new ATOM 0 HA ASP A 26 20.825 20.740 34.452 1.00 0.00 H new ATOM 0 HB2 ASP A 26 18.897 22.231 34.661 1.00 0.00 H new ATOM 0 HB3 ASP A 26 19.615 22.404 33.072 1.00 0.00 H new ATOM 372 N GLN A 27 18.529 19.868 35.920 1.00 0.00 N ATOM 373 CA GLN A 27 17.726 19.012 36.810 1.00 0.00 C ATOM 374 C GLN A 27 16.293 18.753 36.300 1.00 0.00 C ATOM 375 O GLN A 27 15.600 17.850 36.780 1.00 0.00 O ATOM 376 CB GLN A 27 17.666 19.634 38.209 1.00 0.00 C ATOM 377 CG GLN A 27 17.237 21.107 38.216 1.00 0.00 C ATOM 378 CD GLN A 27 18.461 22.003 38.369 1.00 0.00 C ATOM 379 OE1 GLN A 27 18.963 22.562 37.412 1.00 0.00 O ATOM 380 NE2 GLN A 27 19.042 22.088 39.550 1.00 0.00 N ATOM 0 H GLN A 27 18.508 20.855 36.178 1.00 0.00 H new ATOM 0 HA GLN A 27 18.226 18.044 36.836 1.00 0.00 H new ATOM 0 HB2 GLN A 27 16.971 19.060 38.822 1.00 0.00 H new ATOM 0 HB3 GLN A 27 18.647 19.549 38.676 1.00 0.00 H new ATOM 0 HG2 GLN A 27 16.713 21.347 37.291 1.00 0.00 H new ATOM 0 HG3 GLN A 27 16.539 21.288 39.033 1.00 0.00 H new ATOM 0 HE21 GLN A 27 18.627 21.622 40.357 1.00 0.00 H new ATOM 0 HE22 GLN A 27 19.906 22.620 39.656 1.00 0.00 H new ATOM 389 N TYR A 28 15.831 19.532 35.322 1.00 0.00 N ATOM 390 CA TYR A 28 14.473 19.515 34.779 1.00 0.00 C ATOM 391 C TYR A 28 14.327 18.411 33.732 1.00 0.00 C ATOM 392 O TYR A 28 13.269 17.783 33.646 1.00 0.00 O ATOM 393 CB TYR A 28 14.187 20.878 34.130 1.00 0.00 C ATOM 394 CG TYR A 28 14.187 22.091 35.037 1.00 0.00 C ATOM 395 CD1 TYR A 28 13.712 22.048 36.363 1.00 0.00 C ATOM 396 CD2 TYR A 28 14.682 23.294 34.510 1.00 0.00 C ATOM 397 CE1 TYR A 28 13.759 23.208 37.161 1.00 0.00 C ATOM 398 CE2 TYR A 28 14.729 24.456 35.299 1.00 0.00 C ATOM 399 CZ TYR A 28 14.280 24.410 36.637 1.00 0.00 C ATOM 400 OH TYR A 28 14.299 25.523 37.420 1.00 0.00 O ATOM 0 H TYR A 28 16.423 20.226 34.865 1.00 0.00 H new ATOM 0 HA TYR A 28 13.765 19.322 35.585 1.00 0.00 H new ATOM 0 HB2 TYR A 28 14.928 21.042 33.347 1.00 0.00 H new ATOM 0 HB3 TYR A 28 13.214 20.822 33.641 1.00 0.00 H new ATOM 0 HD1 TYR A 28 13.313 21.129 36.766 1.00 0.00 H new ATOM 0 HD2 TYR A 28 15.030 23.327 33.488 1.00 0.00 H new ATOM 0 HE1 TYR A 28 13.395 23.177 38.177 1.00 0.00 H new ATOM 0 HE2 TYR A 28 15.106 25.379 34.884 1.00 0.00 H new ATOM 0 HH TYR A 28 14.688 26.269 36.918 1.00 0.00 H new ATOM 410 N GLY A 29 15.407 18.118 33.005 1.00 0.00 N ATOM 411 CA GLY A 29 15.437 17.175 31.883 1.00 0.00 C ATOM 412 C GLY A 29 15.481 17.866 30.514 1.00 0.00 C ATOM 413 O GLY A 29 15.215 17.227 29.495 1.00 0.00 O ATOM 0 H GLY A 29 16.316 18.544 33.186 1.00 0.00 H new ATOM 0 HA2 GLY A 29 16.308 16.528 31.984 1.00 0.00 H new ATOM 0 HA3 GLY A 29 14.556 16.535 31.931 1.00 0.00 H new ATOM 417 N LEU A 30 15.788 19.168 30.478 1.00 0.00 N ATOM 418 CA LEU A 30 15.976 19.922 29.246 1.00 0.00 C ATOM 419 C LEU A 30 17.361 19.631 28.723 1.00 0.00 C ATOM 420 O LEU A 30 18.359 20.177 29.178 1.00 0.00 O ATOM 421 CB LEU A 30 15.922 21.422 29.470 1.00 0.00 C ATOM 422 CG LEU A 30 14.542 22.031 29.616 1.00 0.00 C ATOM 423 CD1 LEU A 30 13.964 21.454 30.860 1.00 0.00 C ATOM 424 CD2 LEU A 30 14.796 23.489 29.882 1.00 0.00 C ATOM 0 H LEU A 30 15.913 19.730 31.320 1.00 0.00 H new ATOM 0 HA LEU A 30 15.180 19.628 28.562 1.00 0.00 H new ATOM 0 HB2 LEU A 30 16.495 21.654 30.368 1.00 0.00 H new ATOM 0 HB3 LEU A 30 16.425 21.911 28.635 1.00 0.00 H new ATOM 0 HG LEU A 30 13.894 21.862 28.756 1.00 0.00 H new ATOM 0 HD11 LEU A 30 12.964 21.858 31.018 1.00 0.00 H new ATOM 0 HD12 LEU A 30 13.906 20.370 30.765 1.00 0.00 H new ATOM 0 HD13 LEU A 30 14.598 21.711 31.709 1.00 0.00 H new ATOM 0 HD21 LEU A 30 13.845 24.008 30.001 1.00 0.00 H new ATOM 0 HD22 LEU A 30 15.384 23.595 30.793 1.00 0.00 H new ATOM 0 HD23 LEU A 30 15.343 23.922 29.044 1.00 0.00 H new ATOM 436 N THR A 31 17.425 18.787 27.723 1.00 0.00 N ATOM 437 CA THR A 31 18.686 18.526 27.077 1.00 0.00 C ATOM 438 C THR A 31 19.014 19.733 26.217 1.00 0.00 C ATOM 439 O THR A 31 18.256 20.130 25.329 1.00 0.00 O ATOM 440 CB THR A 31 18.706 17.261 26.230 1.00 0.00 C ATOM 441 OG1 THR A 31 18.573 16.090 27.007 1.00 0.00 O ATOM 442 CG2 THR A 31 20.073 17.215 25.572 1.00 0.00 C ATOM 0 H THR A 31 16.629 18.275 27.343 1.00 0.00 H new ATOM 0 HA THR A 31 19.431 18.358 27.855 1.00 0.00 H new ATOM 0 HB THR A 31 17.875 17.291 25.525 1.00 0.00 H new ATOM 0 HG1 THR A 31 18.590 15.305 26.421 1.00 0.00 H new ATOM 0 HG21 THR A 31 20.147 16.324 24.948 1.00 0.00 H new ATOM 0 HG22 THR A 31 20.210 18.103 24.954 1.00 0.00 H new ATOM 0 HG23 THR A 31 20.846 17.185 26.340 1.00 0.00 H new ATOM 450 N TYR A 32 20.199 20.267 26.449 1.00 0.00 N ATOM 451 CA TYR A 32 20.770 21.375 25.725 1.00 0.00 C ATOM 452 C TYR A 32 22.190 21.023 25.260 1.00 0.00 C ATOM 453 O TYR A 32 22.826 20.085 25.748 1.00 0.00 O ATOM 454 CB TYR A 32 20.653 22.620 26.614 1.00 0.00 C ATOM 455 CG TYR A 32 20.973 22.403 28.081 1.00 0.00 C ATOM 456 CD1 TYR A 32 22.276 22.073 28.430 1.00 0.00 C ATOM 457 CD2 TYR A 32 19.985 22.467 29.092 1.00 0.00 C ATOM 458 CE1 TYR A 32 22.658 22.073 29.789 1.00 0.00 C ATOM 459 CE2 TYR A 32 20.298 22.293 30.435 1.00 0.00 C ATOM 460 CZ TYR A 32 21.671 22.184 30.798 1.00 0.00 C ATOM 461 OH TYR A 32 22.043 22.140 32.102 1.00 0.00 O ATOM 0 H TYR A 32 20.815 19.919 27.184 1.00 0.00 H new ATOM 0 HA TYR A 32 20.234 21.596 24.802 1.00 0.00 H new ATOM 0 HB2 TYR A 32 21.320 23.389 26.224 1.00 0.00 H new ATOM 0 HB3 TYR A 32 19.638 23.009 26.534 1.00 0.00 H new ATOM 0 HD1 TYR A 32 22.994 21.817 27.665 1.00 0.00 H new ATOM 0 HD2 TYR A 32 18.959 22.656 28.812 1.00 0.00 H new ATOM 0 HE1 TYR A 32 23.700 21.989 30.058 1.00 0.00 H new ATOM 0 HE2 TYR A 32 19.521 22.242 31.183 1.00 0.00 H new ATOM 0 HH TYR A 32 21.783 22.975 32.545 1.00 0.00 H new ATOM 471 N ARG A 33 22.691 21.774 24.279 1.00 0.00 N ATOM 472 CA ARG A 33 24.031 21.617 23.714 1.00 0.00 C ATOM 473 C ARG A 33 24.912 22.750 24.218 1.00 0.00 C ATOM 474 O ARG A 33 24.622 23.925 23.997 1.00 0.00 O ATOM 475 CB ARG A 33 23.955 21.460 22.192 1.00 0.00 C ATOM 476 CG ARG A 33 23.203 20.180 21.827 1.00 0.00 C ATOM 477 CD ARG A 33 21.762 20.476 21.396 1.00 0.00 C ATOM 478 NE ARG A 33 21.039 19.215 21.316 1.00 0.00 N ATOM 479 CZ ARG A 33 19.779 18.976 21.007 1.00 0.00 C ATOM 480 NH1 ARG A 33 18.939 19.918 20.693 1.00 0.00 N ATOM 481 NH2 ARG A 33 19.346 17.756 21.024 1.00 0.00 N ATOM 0 H ARG A 33 22.161 22.529 23.844 1.00 0.00 H new ATOM 0 HA ARG A 33 24.506 20.696 24.053 1.00 0.00 H new ATOM 0 HB2 ARG A 33 23.452 22.323 21.755 1.00 0.00 H new ATOM 0 HB3 ARG A 33 24.960 21.431 21.772 1.00 0.00 H new ATOM 0 HG2 ARG A 33 23.727 19.667 21.020 1.00 0.00 H new ATOM 0 HG3 ARG A 33 23.196 19.505 22.683 1.00 0.00 H new ATOM 0 HD2 ARG A 33 21.282 21.144 22.111 1.00 0.00 H new ATOM 0 HD3 ARG A 33 21.751 20.982 20.430 1.00 0.00 H new ATOM 0 HE ARG A 33 21.593 18.387 21.533 1.00 0.00 H new ATOM 0 HH11 ARG A 33 19.246 20.891 20.678 1.00 0.00 H new ATOM 0 HH12 ARG A 33 17.974 19.684 20.461 1.00 0.00 H new ATOM 0 HH21 ARG A 33 19.977 16.994 21.274 1.00 0.00 H new ATOM 0 HH22 ARG A 33 18.374 17.556 20.787 1.00 0.00 H new ATOM 495 N THR A 34 25.942 22.380 24.968 1.00 0.00 N ATOM 496 CA THR A 34 26.842 23.295 25.680 1.00 0.00 C ATOM 497 C THR A 34 28.310 22.945 25.515 1.00 0.00 C ATOM 498 O THR A 34 28.703 21.782 25.599 1.00 0.00 O ATOM 499 CB THR A 34 26.529 23.280 27.185 1.00 0.00 C ATOM 500 OG1 THR A 34 26.478 21.955 27.677 1.00 0.00 O ATOM 501 CG2 THR A 34 25.199 23.961 27.482 1.00 0.00 C ATOM 0 H THR A 34 26.188 21.400 25.106 1.00 0.00 H new ATOM 0 HA THR A 34 26.671 24.278 25.242 1.00 0.00 H new ATOM 0 HB THR A 34 27.331 23.826 27.681 1.00 0.00 H new ATOM 0 HG1 THR A 34 27.147 21.408 27.215 1.00 0.00 H new ATOM 0 HG21 THR A 34 25.008 23.933 28.555 1.00 0.00 H new ATOM 0 HG22 THR A 34 25.238 24.998 27.147 1.00 0.00 H new ATOM 0 HG23 THR A 34 24.398 23.440 26.957 1.00 0.00 H new ATOM 509 N CYS A 35 29.127 23.976 25.364 1.00 0.00 N ATOM 510 CA CYS A 35 30.579 23.909 25.293 1.00 0.00 C ATOM 511 C CYS A 35 31.147 23.343 26.609 1.00 0.00 C ATOM 512 O CYS A 35 30.912 23.900 27.684 1.00 0.00 O ATOM 513 CB CYS A 35 31.119 25.318 25.019 1.00 0.00 C ATOM 514 SG CYS A 35 30.575 26.146 23.495 1.00 0.00 S ATOM 0 H CYS A 35 28.778 24.931 25.284 1.00 0.00 H new ATOM 0 HA CYS A 35 30.888 23.244 24.487 1.00 0.00 H new ATOM 0 HB2 CYS A 35 30.845 25.952 25.862 1.00 0.00 H new ATOM 0 HB3 CYS A 35 32.207 25.263 25.001 1.00 0.00 H new ATOM 519 N ASN A 36 31.867 22.221 26.538 1.00 0.00 N ATOM 520 CA ASN A 36 32.575 21.604 27.660 1.00 0.00 C ATOM 521 C ASN A 36 34.098 21.627 27.429 1.00 0.00 C ATOM 522 O ASN A 36 34.582 21.744 26.302 1.00 0.00 O ATOM 523 CB ASN A 36 32.098 20.139 27.853 1.00 0.00 C ATOM 524 CG ASN A 36 32.646 19.543 29.150 1.00 0.00 C ATOM 525 OD1 ASN A 36 32.585 20.147 30.206 1.00 0.00 O ATOM 526 ND2 ASN A 36 33.289 18.398 29.116 1.00 0.00 N ATOM 0 H ASN A 36 31.976 21.700 25.668 1.00 0.00 H new ATOM 0 HA ASN A 36 32.351 22.179 28.559 1.00 0.00 H new ATOM 0 HB2 ASN A 36 31.009 20.108 27.868 1.00 0.00 H new ATOM 0 HB3 ASN A 36 32.423 19.534 27.006 1.00 0.00 H new ATOM 0 HD21 ASN A 36 33.724 18.032 29.963 1.00 0.00 H new ATOM 0 HD22 ASN A 36 33.353 17.875 28.243 1.00 0.00 H new ATOM 533 N LEU A 37 34.860 21.451 28.509 1.00 0.00 N ATOM 534 CA LEU A 37 36.306 21.302 28.493 1.00 0.00 C ATOM 535 C LEU A 37 36.786 20.069 27.700 1.00 0.00 C ATOM 536 O LEU A 37 37.895 20.081 27.176 1.00 0.00 O ATOM 537 CB LEU A 37 36.713 21.166 29.954 1.00 0.00 C ATOM 538 CG LEU A 37 38.074 21.774 30.250 1.00 0.00 C ATOM 539 CD1 LEU A 37 37.909 23.278 30.237 1.00 0.00 C ATOM 540 CD2 LEU A 37 38.354 21.336 31.667 1.00 0.00 C ATOM 0 H LEU A 37 34.468 21.407 29.450 1.00 0.00 H new ATOM 0 HA LEU A 37 36.760 22.159 27.995 1.00 0.00 H new ATOM 0 HB2 LEU A 37 35.962 21.647 30.581 1.00 0.00 H new ATOM 0 HB3 LEU A 37 36.726 20.110 30.225 1.00 0.00 H new ATOM 0 HG LEU A 37 38.856 21.484 29.548 1.00 0.00 H new ATOM 0 HD11 LEU A 37 38.868 23.751 30.446 1.00 0.00 H new ATOM 0 HD12 LEU A 37 37.553 23.597 29.257 1.00 0.00 H new ATOM 0 HD13 LEU A 37 37.186 23.571 30.998 1.00 0.00 H new ATOM 0 HD21 LEU A 37 39.322 21.724 31.983 1.00 0.00 H new ATOM 0 HD22 LEU A 37 37.576 21.720 32.327 1.00 0.00 H new ATOM 0 HD23 LEU A 37 38.367 20.247 31.715 1.00 0.00 H new ATOM 552 N LEU A 38 35.946 19.024 27.622 1.00 0.00 N ATOM 553 CA LEU A 38 36.230 17.704 27.042 1.00 0.00 C ATOM 554 C LEU A 38 35.027 17.007 26.387 1.00 0.00 C ATOM 555 O LEU A 38 33.896 17.442 26.605 1.00 0.00 O ATOM 556 CB LEU A 38 36.743 16.823 28.188 1.00 0.00 C ATOM 557 CG LEU A 38 38.102 17.200 28.761 1.00 0.00 C ATOM 558 CD1 LEU A 38 38.338 16.289 29.962 1.00 0.00 C ATOM 559 CD2 LEU A 38 39.116 17.000 27.659 1.00 0.00 C ATOM 0 H LEU A 38 34.994 19.083 27.984 1.00 0.00 H new ATOM 0 HA LEU A 38 36.951 17.850 26.238 1.00 0.00 H new ATOM 0 HB2 LEU A 38 36.011 16.848 28.995 1.00 0.00 H new ATOM 0 HB3 LEU A 38 36.793 15.793 27.834 1.00 0.00 H new ATOM 0 HG LEU A 38 38.173 18.234 29.098 1.00 0.00 H new ATOM 0 HD11 LEU A 38 39.304 16.521 30.410 1.00 0.00 H new ATOM 0 HD12 LEU A 38 37.550 16.446 30.698 1.00 0.00 H new ATOM 0 HD13 LEU A 38 38.329 15.249 29.637 1.00 0.00 H new ATOM 0 HD21 LEU A 38 40.109 17.259 28.027 1.00 0.00 H new ATOM 0 HD22 LEU A 38 39.108 15.957 27.342 1.00 0.00 H new ATOM 0 HD23 LEU A 38 38.864 17.639 26.813 1.00 0.00 H new ATOM 571 N PRO A 39 35.238 15.943 25.582 1.00 0.00 N ATOM 572 CA PRO A 39 34.153 15.164 24.987 1.00 0.00 C ATOM 573 C PRO A 39 33.511 14.202 26.010 1.00 0.00 C ATOM 574 O PRO A 39 33.336 14.545 27.203 1.00 0.00 O ATOM 575 CB PRO A 39 34.808 14.469 23.788 1.00 0.00 C ATOM 576 CG PRO A 39 36.226 14.202 24.268 1.00 0.00 C ATOM 577 CD PRO A 39 36.527 15.405 25.160 1.00 0.00 C ATOM 0 HA PRO A 39 33.308 15.773 24.665 1.00 0.00 H new ATOM 0 HB2 PRO A 39 34.291 13.545 23.527 1.00 0.00 H new ATOM 0 HB3 PRO A 39 34.796 15.102 22.901 1.00 0.00 H new ATOM 0 HG2 PRO A 39 36.294 13.265 24.820 1.00 0.00 H new ATOM 0 HG3 PRO A 39 36.926 14.133 23.436 1.00 0.00 H new ATOM 0 HD2 PRO A 39 37.124 15.108 26.022 1.00 0.00 H new ATOM 0 HD3 PRO A 39 37.101 16.156 24.617 1.00 0.00 H new TER 585 PRO A 39