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+ 144:sc= 0.0772 (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 12:sc= 0.594 USER MOD Single : A 9 ASN : amide:sc= -0.31 X(o=-0.31,f=-0.71) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot -170:sc=-0.00788 USER MOD Single : A 19 GLN : amide:sc= -0.0706 X(o=-0.071,f=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot -100:sc= -1.13 USER MOD Single : A 27 GLN : amide:sc= 0.243 K(o=0.24,f=-4.4!) 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 130:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 ASN : amide:sc= -0.0153 X(o=-0.015,f=-0.22) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 34.841 35.202 27.075 1.00 0.00 N ATOM 2 CA LEU A 1 35.418 33.881 27.426 1.00 0.00 C ATOM 3 C LEU A 1 34.425 32.764 27.088 1.00 0.00 C ATOM 4 O LEU A 1 33.328 33.059 26.630 1.00 0.00 O ATOM 5 CB LEU A 1 35.847 33.850 28.913 1.00 0.00 C ATOM 6 CG LEU A 1 37.353 33.771 29.159 1.00 0.00 C ATOM 7 CD1 LEU A 1 37.949 32.516 28.533 1.00 0.00 C ATOM 8 CD2 LEU A 1 37.990 35.046 28.629 1.00 0.00 C ATOM 0 H1 LEU A 1 35.140 35.909 27.776 1.00 0.00 H new ATOM 0 H2 LEU A 1 35.174 35.487 26.132 1.00 0.00 H new ATOM 0 H3 LEU A 1 33.803 35.137 27.070 1.00 0.00 H new ATOM 0 HA LEU A 1 36.316 33.714 26.831 1.00 0.00 H new ATOM 0 HB2 LEU A 1 35.462 34.744 29.403 1.00 0.00 H new ATOM 0 HB3 LEU A 1 35.372 32.994 29.393 1.00 0.00 H new ATOM 0 HG LEU A 1 37.557 33.694 30.227 1.00 0.00 H new ATOM 0 HD11 LEU A 1 39.022 32.488 28.725 1.00 0.00 H new ATOM 0 HD12 LEU A 1 37.479 31.634 28.968 1.00 0.00 H new ATOM 0 HD13 LEU A 1 37.773 32.527 27.457 1.00 0.00 H new ATOM 0 HD21 LEU A 1 39.067 35.011 28.795 1.00 0.00 H new ATOM 0 HD22 LEU A 1 37.790 35.136 27.561 1.00 0.00 H new ATOM 0 HD23 LEU A 1 37.571 35.906 29.151 1.00 0.00 H new ATOM 20 N CYS A 2 34.791 31.489 27.272 1.00 0.00 N ATOM 21 CA CYS A 2 33.896 30.351 27.020 1.00 0.00 C ATOM 22 C CYS A 2 32.706 30.292 27.998 1.00 0.00 C ATOM 23 O CYS A 2 32.851 29.850 29.141 1.00 0.00 O ATOM 24 CB CYS A 2 34.698 29.047 27.034 1.00 0.00 C ATOM 25 SG CYS A 2 33.744 27.635 26.421 1.00 0.00 S ATOM 0 H CYS A 2 35.717 31.217 27.600 1.00 0.00 H new ATOM 0 HA CYS A 2 33.458 30.491 26.032 1.00 0.00 H new ATOM 0 HB2 CYS A 2 35.593 29.169 26.423 1.00 0.00 H new ATOM 0 HB3 CYS A 2 35.032 28.841 28.051 1.00 0.00 H new ATOM 30 N ASN A 3 31.536 30.742 27.547 1.00 0.00 N ATOM 31 CA ASN A 3 30.230 30.713 28.213 1.00 0.00 C ATOM 32 C ASN A 3 29.131 30.402 27.164 1.00 0.00 C ATOM 33 O ASN A 3 29.456 30.201 25.998 1.00 0.00 O ATOM 34 CB ASN A 3 29.971 32.087 28.885 1.00 0.00 C ATOM 35 CG ASN A 3 31.014 32.549 29.893 1.00 0.00 C ATOM 36 OD1 ASN A 3 31.533 33.656 29.834 1.00 0.00 O ATOM 37 ND2 ASN A 3 31.324 31.752 30.888 1.00 0.00 N ATOM 0 H ASN A 3 31.470 31.175 26.626 1.00 0.00 H new ATOM 0 HA ASN A 3 30.213 29.938 28.980 1.00 0.00 H new ATOM 0 HB2 ASN A 3 29.893 32.842 28.103 1.00 0.00 H new ATOM 0 HB3 ASN A 3 29.004 32.046 29.387 1.00 0.00 H new ATOM 0 HD21 ASN A 3 31.989 32.058 31.598 1.00 0.00 H new ATOM 0 HD22 ASN A 3 30.900 30.826 30.951 1.00 0.00 H new ATOM 44 N GLU A 4 27.852 30.408 27.571 1.00 0.00 N ATOM 45 CA GLU A 4 26.650 30.266 26.712 1.00 0.00 C ATOM 46 C GLU A 4 26.458 28.892 25.991 1.00 0.00 C ATOM 47 O GLU A 4 27.322 28.009 26.075 1.00 0.00 O ATOM 48 CB GLU A 4 26.577 31.532 25.808 1.00 0.00 C ATOM 49 CG GLU A 4 26.044 32.737 26.614 1.00 0.00 C ATOM 50 CD GLU A 4 26.595 34.112 26.182 1.00 0.00 C ATOM 51 OE1 GLU A 4 26.928 34.333 24.987 1.00 0.00 O ATOM 52 OE2 GLU A 4 26.679 34.994 27.083 1.00 0.00 O ATOM 0 H GLU A 4 27.608 30.517 28.555 1.00 0.00 H new ATOM 0 HA GLU A 4 25.767 30.225 27.350 1.00 0.00 H new ATOM 0 HB2 GLU A 4 27.566 31.761 25.410 1.00 0.00 H new ATOM 0 HB3 GLU A 4 25.927 31.341 24.954 1.00 0.00 H new ATOM 0 HG2 GLU A 4 24.957 32.757 26.531 1.00 0.00 H new ATOM 0 HG3 GLU A 4 26.281 32.583 27.667 1.00 0.00 H new ATOM 59 N PRO A 5 25.269 28.615 25.398 1.00 0.00 N ATOM 60 CA PRO A 5 24.988 27.361 24.679 1.00 0.00 C ATOM 61 C PRO A 5 25.525 27.357 23.234 1.00 0.00 C ATOM 62 O PRO A 5 25.815 28.411 22.668 1.00 0.00 O ATOM 63 CB PRO A 5 23.462 27.217 24.697 1.00 0.00 C ATOM 64 CG PRO A 5 22.984 28.666 24.685 1.00 0.00 C ATOM 65 CD PRO A 5 24.028 29.371 25.550 1.00 0.00 C ATOM 0 HA PRO A 5 25.493 26.525 25.163 1.00 0.00 H new ATOM 0 HB2 PRO A 5 23.098 26.664 23.831 1.00 0.00 H new ATOM 0 HB3 PRO A 5 23.117 26.685 25.583 1.00 0.00 H new ATOM 0 HG2 PRO A 5 22.953 29.074 23.675 1.00 0.00 H new ATOM 0 HG3 PRO A 5 21.981 28.765 25.100 1.00 0.00 H new ATOM 0 HD2 PRO A 5 24.162 30.405 25.232 1.00 0.00 H new ATOM 0 HD3 PRO A 5 23.714 29.397 26.594 1.00 0.00 H new ATOM 73 N CYS A 6 25.581 26.182 22.598 1.00 0.00 N ATOM 74 CA CYS A 6 26.169 25.971 21.261 1.00 0.00 C ATOM 75 C CYS A 6 25.336 25.049 20.343 1.00 0.00 C ATOM 76 O CYS A 6 24.349 24.458 20.776 1.00 0.00 O ATOM 77 CB CYS A 6 27.573 25.382 21.464 1.00 0.00 C ATOM 78 SG CYS A 6 27.584 23.805 22.364 1.00 0.00 S ATOM 0 H CYS A 6 25.209 25.324 23.006 1.00 0.00 H new ATOM 0 HA CYS A 6 26.196 26.934 20.751 1.00 0.00 H new ATOM 0 HB2 CYS A 6 28.040 25.237 20.490 1.00 0.00 H new ATOM 0 HB3 CYS A 6 28.184 26.103 22.006 1.00 0.00 H new ATOM 83 N SER A 7 25.746 24.895 19.078 1.00 0.00 N ATOM 84 CA SER A 7 25.157 23.981 18.086 1.00 0.00 C ATOM 85 C SER A 7 26.120 22.850 17.695 1.00 0.00 C ATOM 86 O SER A 7 25.676 21.709 17.534 1.00 0.00 O ATOM 87 CB SER A 7 24.743 24.741 16.820 1.00 0.00 C ATOM 88 OG SER A 7 23.582 25.506 17.070 1.00 0.00 O ATOM 0 H SER A 7 26.531 25.426 18.700 1.00 0.00 H new ATOM 0 HA SER A 7 24.279 23.540 18.557 1.00 0.00 H new ATOM 0 HB2 SER A 7 25.554 25.393 16.496 1.00 0.00 H new ATOM 0 HB3 SER A 7 24.556 24.037 16.009 1.00 0.00 H new ATOM 0 HG SER A 7 23.327 25.989 16.256 1.00 0.00 H new ATOM 94 N SER A 8 27.421 23.119 17.541 1.00 0.00 N ATOM 95 CA SER A 8 28.475 22.118 17.265 1.00 0.00 C ATOM 96 C SER A 8 29.852 22.561 17.789 1.00 0.00 C ATOM 97 O SER A 8 30.023 23.689 18.237 1.00 0.00 O ATOM 98 CB SER A 8 28.539 21.839 15.752 1.00 0.00 C ATOM 99 OG SER A 8 27.408 21.092 15.376 1.00 0.00 O ATOM 0 H SER A 8 27.788 24.068 17.606 1.00 0.00 H new ATOM 0 HA SER A 8 28.213 21.203 17.797 1.00 0.00 H new ATOM 0 HB2 SER A 8 28.572 22.777 15.197 1.00 0.00 H new ATOM 0 HB3 SER A 8 29.450 21.292 15.508 1.00 0.00 H new ATOM 0 HG SER A 8 26.759 21.089 16.110 1.00 0.00 H new ATOM 105 N ASN A 9 30.860 21.674 17.748 1.00 0.00 N ATOM 106 CA ASN A 9 32.227 21.907 18.263 1.00 0.00 C ATOM 107 C ASN A 9 32.849 23.272 17.908 1.00 0.00 C ATOM 108 O ASN A 9 33.489 23.927 18.734 1.00 0.00 O ATOM 109 CB ASN A 9 33.178 20.774 17.815 1.00 0.00 C ATOM 110 CG ASN A 9 33.124 20.454 16.326 1.00 0.00 C ATOM 111 OD1 ASN A 9 33.890 20.976 15.532 1.00 0.00 O ATOM 112 ND2 ASN A 9 32.215 19.600 15.904 1.00 0.00 N ATOM 0 H ASN A 9 30.746 20.745 17.344 1.00 0.00 H new ATOM 0 HA ASN A 9 32.109 21.913 19.347 1.00 0.00 H new ATOM 0 HB2 ASN A 9 34.199 21.049 18.078 1.00 0.00 H new ATOM 0 HB3 ASN A 9 32.937 19.871 18.376 1.00 0.00 H new ATOM 0 HD21 ASN A 9 32.150 19.373 14.912 1.00 0.00 H new ATOM 0 HD22 ASN A 9 31.576 19.165 16.569 1.00 0.00 H new ATOM 119 N SER A 10 32.635 23.735 16.684 1.00 0.00 N ATOM 120 CA SER A 10 33.238 24.938 16.123 1.00 0.00 C ATOM 121 C SER A 10 32.747 26.245 16.746 1.00 0.00 C ATOM 122 O SER A 10 33.332 27.302 16.529 1.00 0.00 O ATOM 123 CB SER A 10 33.019 24.894 14.614 1.00 0.00 C ATOM 124 OG SER A 10 31.638 24.957 14.296 1.00 0.00 O ATOM 0 H SER A 10 32.012 23.264 16.028 1.00 0.00 H new ATOM 0 HA SER A 10 34.302 24.937 16.361 1.00 0.00 H new ATOM 0 HB2 SER A 10 33.542 25.726 14.143 1.00 0.00 H new ATOM 0 HB3 SER A 10 33.447 23.978 14.208 1.00 0.00 H new ATOM 0 HG SER A 10 31.525 24.929 13.323 1.00 0.00 H new ATOM 130 N ASP A 11 31.671 26.185 17.525 1.00 0.00 N ATOM 131 CA ASP A 11 31.109 27.293 18.301 1.00 0.00 C ATOM 132 C ASP A 11 31.877 27.545 19.616 1.00 0.00 C ATOM 133 O ASP A 11 31.668 28.565 20.270 1.00 0.00 O ATOM 134 CB ASP A 11 29.660 26.928 18.644 1.00 0.00 C ATOM 135 CG ASP A 11 28.739 26.754 17.434 1.00 0.00 C ATOM 136 OD1 ASP A 11 28.974 27.406 16.387 1.00 0.00 O ATOM 137 OD2 ASP A 11 27.788 25.952 17.569 1.00 0.00 O ATOM 0 H ASP A 11 31.139 25.322 17.640 1.00 0.00 H new ATOM 0 HA ASP A 11 31.179 28.202 17.704 1.00 0.00 H new ATOM 0 HB2 ASP A 11 29.660 26.002 19.219 1.00 0.00 H new ATOM 0 HB3 ASP A 11 29.247 27.704 19.289 1.00 0.00 H new ATOM 142 N CYS A 12 32.777 26.629 19.998 1.00 0.00 N ATOM 143 CA CYS A 12 33.512 26.648 21.268 1.00 0.00 C ATOM 144 C CYS A 12 35.032 26.482 21.066 1.00 0.00 C ATOM 145 O CYS A 12 35.835 26.736 21.962 1.00 0.00 O ATOM 146 CB CYS A 12 32.977 25.503 22.149 1.00 0.00 C ATOM 147 SG CYS A 12 31.185 25.203 22.230 1.00 0.00 S ATOM 0 H CYS A 12 33.021 25.830 19.413 1.00 0.00 H new ATOM 0 HA CYS A 12 33.358 27.616 21.744 1.00 0.00 H new ATOM 0 HB2 CYS A 12 33.448 24.581 21.809 1.00 0.00 H new ATOM 0 HB3 CYS A 12 33.325 25.683 23.166 1.00 0.00 H new ATOM 152 N ILE A 13 35.440 26.047 19.873 1.00 0.00 N ATOM 153 CA ILE A 13 36.812 25.908 19.414 1.00 0.00 C ATOM 154 C ILE A 13 37.505 27.282 19.376 1.00 0.00 C ATOM 155 O ILE A 13 36.889 28.313 19.104 1.00 0.00 O ATOM 156 CB ILE A 13 36.712 25.239 18.032 1.00 0.00 C ATOM 157 CG1 ILE A 13 36.692 23.721 18.258 1.00 0.00 C ATOM 158 CG2 ILE A 13 37.810 25.621 17.066 1.00 0.00 C ATOM 159 CD1 ILE A 13 36.517 22.850 17.026 1.00 0.00 C ATOM 0 H ILE A 13 34.770 25.765 19.157 1.00 0.00 H new ATOM 0 HA ILE A 13 37.425 25.301 20.080 1.00 0.00 H new ATOM 0 HB ILE A 13 35.798 25.593 17.555 1.00 0.00 H new ATOM 0 HG12 ILE A 13 37.625 23.437 18.746 1.00 0.00 H new ATOM 0 HG13 ILE A 13 35.886 23.491 18.954 1.00 0.00 H new ATOM 0 HG21 ILE A 13 37.658 25.102 16.119 1.00 0.00 H new ATOM 0 HG22 ILE A 13 37.788 26.698 16.897 1.00 0.00 H new ATOM 0 HG23 ILE A 13 38.776 25.339 17.484 1.00 0.00 H new ATOM 0 HD11 ILE A 13 36.520 21.800 17.319 1.00 0.00 H new ATOM 0 HD12 ILE A 13 35.570 23.089 16.543 1.00 0.00 H new ATOM 0 HD13 ILE A 13 37.336 23.035 16.331 1.00 0.00 H new ATOM 171 N GLY A 14 38.816 27.287 19.598 1.00 0.00 N ATOM 172 CA GLY A 14 39.701 28.451 19.493 1.00 0.00 C ATOM 173 C GLY A 14 39.526 29.559 20.538 1.00 0.00 C ATOM 174 O GLY A 14 40.535 30.079 21.016 1.00 0.00 O ATOM 0 H GLY A 14 39.318 26.441 19.869 1.00 0.00 H new ATOM 0 HA2 GLY A 14 40.731 28.098 19.544 1.00 0.00 H new ATOM 0 HA3 GLY A 14 39.563 28.892 18.506 1.00 0.00 H new ATOM 178 N ILE A 15 38.290 29.907 20.918 1.00 0.00 N ATOM 179 CA ILE A 15 37.966 30.986 21.874 1.00 0.00 C ATOM 180 C ILE A 15 38.533 30.710 23.270 1.00 0.00 C ATOM 181 O ILE A 15 38.836 31.612 24.049 1.00 0.00 O ATOM 182 CB ILE A 15 36.456 31.326 21.848 1.00 0.00 C ATOM 183 CG1 ILE A 15 35.436 30.231 22.222 1.00 0.00 C ATOM 184 CG2 ILE A 15 36.096 31.711 20.412 1.00 0.00 C ATOM 185 CD1 ILE A 15 35.502 29.784 23.673 1.00 0.00 C ATOM 0 H ILE A 15 37.460 29.434 20.561 1.00 0.00 H new ATOM 0 HA ILE A 15 38.473 31.894 21.549 1.00 0.00 H new ATOM 0 HB ILE A 15 36.367 32.093 22.617 1.00 0.00 H new ATOM 0 HG12 ILE A 15 34.432 30.600 22.013 1.00 0.00 H new ATOM 0 HG13 ILE A 15 35.598 29.365 21.580 1.00 0.00 H new ATOM 0 HG21 ILE A 15 35.036 31.958 20.356 1.00 0.00 H new ATOM 0 HG22 ILE A 15 36.686 32.576 20.108 1.00 0.00 H new ATOM 0 HG23 ILE A 15 36.309 30.874 19.747 1.00 0.00 H new ATOM 0 HD11 ILE A 15 34.752 29.013 23.851 1.00 0.00 H new ATOM 0 HD12 ILE A 15 36.493 29.382 23.885 1.00 0.00 H new ATOM 0 HD13 ILE A 15 35.308 30.636 24.325 1.00 0.00 H new ATOM 197 N THR A 16 38.661 29.430 23.581 1.00 0.00 N ATOM 198 CA THR A 16 39.246 28.751 24.714 1.00 0.00 C ATOM 199 C THR A 16 39.457 27.298 24.234 1.00 0.00 C ATOM 200 O THR A 16 38.911 26.903 23.204 1.00 0.00 O ATOM 201 CB THR A 16 38.232 28.812 25.860 1.00 0.00 C ATOM 202 OG1 THR A 16 38.008 30.146 26.256 1.00 0.00 O ATOM 203 CG2 THR A 16 38.674 28.053 27.086 1.00 0.00 C ATOM 0 H THR A 16 38.293 28.737 22.930 1.00 0.00 H new ATOM 0 HA THR A 16 40.183 29.185 25.063 1.00 0.00 H new ATOM 0 HB THR A 16 37.325 28.353 25.466 1.00 0.00 H new ATOM 0 HG1 THR A 16 37.485 30.158 27.085 1.00 0.00 H new ATOM 0 HG21 THR A 16 37.911 28.136 27.860 1.00 0.00 H new ATOM 0 HG22 THR A 16 38.819 27.003 26.831 1.00 0.00 H new ATOM 0 HG23 THR A 16 39.611 28.470 27.454 1.00 0.00 H new ATOM 211 N LEU A 17 40.184 26.448 24.960 1.00 0.00 N ATOM 212 CA LEU A 17 40.329 25.015 24.640 1.00 0.00 C ATOM 213 C LEU A 17 39.016 24.195 24.789 1.00 0.00 C ATOM 214 O LEU A 17 39.016 22.979 24.646 1.00 0.00 O ATOM 215 CB LEU A 17 41.444 24.406 25.522 1.00 0.00 C ATOM 216 CG LEU A 17 42.759 25.182 25.604 1.00 0.00 C ATOM 217 CD1 LEU A 17 43.662 24.326 26.479 1.00 0.00 C ATOM 218 CD2 LEU A 17 43.372 25.350 24.222 1.00 0.00 C ATOM 0 H LEU A 17 40.696 26.731 25.796 1.00 0.00 H new ATOM 0 HA LEU A 17 40.594 24.955 23.584 1.00 0.00 H new ATOM 0 HB2 LEU A 17 41.053 24.292 26.533 1.00 0.00 H new ATOM 0 HB3 LEU A 17 41.663 23.405 25.150 1.00 0.00 H new ATOM 0 HG LEU A 17 42.616 26.184 26.008 1.00 0.00 H new ATOM 0 HD11 LEU A 17 44.631 24.814 26.589 1.00 0.00 H new ATOM 0 HD12 LEU A 17 43.205 24.201 27.461 1.00 0.00 H new ATOM 0 HD13 LEU A 17 43.798 23.349 26.015 1.00 0.00 H new ATOM 0 HD21 LEU A 17 44.307 25.905 24.304 1.00 0.00 H new ATOM 0 HD22 LEU A 17 43.569 24.369 23.790 1.00 0.00 H new ATOM 0 HD23 LEU A 17 42.680 25.897 23.581 1.00 0.00 H new ATOM 230 N CYS A 18 37.885 24.854 25.048 1.00 0.00 N ATOM 231 CA CYS A 18 36.554 24.315 25.350 1.00 0.00 C ATOM 232 C CYS A 18 35.801 23.752 24.115 1.00 0.00 C ATOM 233 O CYS A 18 34.575 23.767 24.060 1.00 0.00 O ATOM 234 CB CYS A 18 35.764 25.403 26.099 1.00 0.00 C ATOM 235 SG CYS A 18 35.000 26.709 25.113 1.00 0.00 S ATOM 0 H CYS A 18 37.875 25.874 25.052 1.00 0.00 H new ATOM 0 HA CYS A 18 36.667 23.437 25.986 1.00 0.00 H new ATOM 0 HB2 CYS A 18 34.978 24.912 26.673 1.00 0.00 H new ATOM 0 HB3 CYS A 18 36.437 25.873 26.816 1.00 0.00 H new ATOM 240 N GLN A 19 36.527 23.173 23.152 1.00 0.00 N ATOM 241 CA GLN A 19 36.060 22.661 21.849 1.00 0.00 C ATOM 242 C GLN A 19 34.917 21.626 21.867 1.00 0.00 C ATOM 243 O GLN A 19 34.380 21.274 20.818 1.00 0.00 O ATOM 244 CB GLN A 19 37.258 22.047 21.116 1.00 0.00 C ATOM 245 CG GLN A 19 38.005 20.925 21.840 1.00 0.00 C ATOM 246 CD GLN A 19 39.405 20.656 21.278 1.00 0.00 C ATOM 247 OE1 GLN A 19 40.322 20.272 21.985 1.00 0.00 O ATOM 248 NE2 GLN A 19 39.654 20.846 19.997 1.00 0.00 N ATOM 0 H GLN A 19 37.531 23.038 23.267 1.00 0.00 H new ATOM 0 HA GLN A 19 35.632 23.530 21.350 1.00 0.00 H new ATOM 0 HB2 GLN A 19 36.909 21.661 20.158 1.00 0.00 H new ATOM 0 HB3 GLN A 19 37.969 22.844 20.899 1.00 0.00 H new ATOM 0 HG2 GLN A 19 38.090 21.179 22.897 1.00 0.00 H new ATOM 0 HG3 GLN A 19 37.416 20.010 21.779 1.00 0.00 H new ATOM 0 HE21 GLN A 19 38.912 21.167 19.375 1.00 0.00 H new ATOM 0 HE22 GLN A 19 40.589 20.672 19.628 1.00 0.00 H new ATOM 257 N PHE A 20 34.512 21.144 23.036 1.00 0.00 N ATOM 258 CA PHE A 20 33.553 20.067 23.205 1.00 0.00 C ATOM 259 C PHE A 20 32.110 20.533 23.434 1.00 0.00 C ATOM 260 O PHE A 20 31.573 20.481 24.542 1.00 0.00 O ATOM 261 CB PHE A 20 34.131 19.125 24.264 1.00 0.00 C ATOM 262 CG PHE A 20 35.502 18.598 23.865 1.00 0.00 C ATOM 263 CD1 PHE A 20 35.599 17.687 22.800 1.00 0.00 C ATOM 264 CD2 PHE A 20 36.686 19.059 24.479 1.00 0.00 C ATOM 265 CE1 PHE A 20 36.851 17.221 22.367 1.00 0.00 C ATOM 266 CE2 PHE A 20 37.938 18.589 24.048 1.00 0.00 C ATOM 267 CZ PHE A 20 38.027 17.661 22.997 1.00 0.00 C ATOM 0 H PHE A 20 34.858 21.509 23.924 1.00 0.00 H new ATOM 0 HA PHE A 20 33.428 19.514 22.274 1.00 0.00 H new ATOM 0 HB2 PHE A 20 34.207 19.651 25.216 1.00 0.00 H new ATOM 0 HB3 PHE A 20 33.450 18.288 24.416 1.00 0.00 H new ATOM 0 HD1 PHE A 20 34.701 17.341 22.309 1.00 0.00 H new ATOM 0 HD2 PHE A 20 36.630 19.777 25.284 1.00 0.00 H new ATOM 0 HE1 PHE A 20 36.910 16.521 21.546 1.00 0.00 H new ATOM 0 HE2 PHE A 20 38.838 18.944 24.528 1.00 0.00 H new ATOM 0 HZ PHE A 20 38.989 17.290 22.677 1.00 0.00 H new ATOM 277 N CYS A 21 31.468 20.995 22.353 1.00 0.00 N ATOM 278 CA CYS A 21 30.041 21.334 22.353 1.00 0.00 C ATOM 279 C CYS A 21 29.284 20.016 22.601 1.00 0.00 C ATOM 280 O CYS A 21 29.273 19.129 21.745 1.00 0.00 O ATOM 281 CB CYS A 21 29.610 21.972 21.030 1.00 0.00 C ATOM 282 SG CYS A 21 27.839 22.376 20.942 1.00 0.00 S ATOM 0 H CYS A 21 31.925 21.144 21.453 1.00 0.00 H new ATOM 0 HA CYS A 21 29.821 22.071 23.126 1.00 0.00 H new ATOM 0 HB2 CYS A 21 30.188 22.883 20.873 1.00 0.00 H new ATOM 0 HB3 CYS A 21 29.858 21.293 20.214 1.00 0.00 H new ATOM 287 N LYS A 22 28.697 19.869 23.791 1.00 0.00 N ATOM 288 CA LYS A 22 28.057 18.644 24.275 1.00 0.00 C ATOM 289 C LYS A 22 26.582 18.752 24.589 1.00 0.00 C ATOM 290 O LYS A 22 26.124 19.737 25.160 1.00 0.00 O ATOM 291 CB LYS A 22 28.825 18.217 25.538 1.00 0.00 C ATOM 292 CG LYS A 22 29.948 17.274 25.135 1.00 0.00 C ATOM 293 CD LYS A 22 29.411 15.843 24.998 1.00 0.00 C ATOM 294 CE LYS A 22 30.128 15.113 23.855 1.00 0.00 C ATOM 295 NZ LYS A 22 30.062 13.643 24.002 1.00 0.00 N ATOM 0 H LYS A 22 28.653 20.629 24.470 1.00 0.00 H new ATOM 0 HA LYS A 22 28.103 17.914 23.467 1.00 0.00 H new ATOM 0 HB2 LYS A 22 29.231 19.092 26.046 1.00 0.00 H new ATOM 0 HB3 LYS A 22 28.152 17.724 26.240 1.00 0.00 H new ATOM 0 HG2 LYS A 22 30.385 17.599 24.191 1.00 0.00 H new ATOM 0 HG3 LYS A 22 30.743 17.303 25.880 1.00 0.00 H new ATOM 0 HD2 LYS A 22 29.557 15.301 25.933 1.00 0.00 H new ATOM 0 HD3 LYS A 22 28.338 15.867 24.807 1.00 0.00 H new ATOM 0 HE2 LYS A 22 29.680 15.402 22.904 1.00 0.00 H new ATOM 0 HE3 LYS A 22 31.171 15.427 23.824 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 30.559 13.192 23.208 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 30.513 13.363 24.896 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 29.068 13.339 24.005 1.00 0.00 H new ATOM 309 N GLU A 23 25.864 17.684 24.248 1.00 0.00 N ATOM 310 CA GLU A 23 24.461 17.499 24.572 1.00 0.00 C ATOM 311 C GLU A 23 24.380 16.767 25.915 1.00 0.00 C ATOM 312 O GLU A 23 24.754 15.598 26.025 1.00 0.00 O ATOM 313 CB GLU A 23 23.718 16.759 23.450 1.00 0.00 C ATOM 314 CG GLU A 23 22.233 16.727 23.689 1.00 0.00 C ATOM 315 CD GLU A 23 21.483 16.043 22.537 1.00 0.00 C ATOM 316 OE1 GLU A 23 21.450 16.599 21.412 1.00 0.00 O ATOM 317 OE2 GLU A 23 20.965 14.920 22.721 1.00 0.00 O ATOM 0 H GLU A 23 26.259 16.904 23.723 1.00 0.00 H new ATOM 0 HA GLU A 23 23.963 18.464 24.661 1.00 0.00 H new ATOM 0 HB2 GLU A 23 23.922 17.246 22.496 1.00 0.00 H new ATOM 0 HB3 GLU A 23 24.096 15.739 23.375 1.00 0.00 H new ATOM 0 HG2 GLU A 23 22.026 16.200 24.620 1.00 0.00 H new ATOM 0 HG3 GLU A 23 21.863 17.745 23.810 1.00 0.00 H new ATOM 324 N LYS A 24 23.949 17.489 26.946 1.00 0.00 N ATOM 325 CA LYS A 24 23.682 16.994 28.296 1.00 0.00 C ATOM 326 C LYS A 24 22.452 17.685 28.866 1.00 0.00 C ATOM 327 O LYS A 24 21.844 18.525 28.211 1.00 0.00 O ATOM 328 CB LYS A 24 24.937 17.145 29.174 1.00 0.00 C ATOM 329 CG LYS A 24 25.267 18.574 29.663 1.00 0.00 C ATOM 330 CD LYS A 24 26.059 18.559 30.983 1.00 0.00 C ATOM 331 CE LYS A 24 27.471 17.972 30.833 1.00 0.00 C ATOM 332 NZ LYS A 24 28.029 17.539 32.138 1.00 0.00 N ATOM 0 H LYS A 24 23.766 18.489 26.859 1.00 0.00 H new ATOM 0 HA LYS A 24 23.455 15.928 28.270 1.00 0.00 H new ATOM 0 HB2 LYS A 24 24.822 16.503 30.048 1.00 0.00 H new ATOM 0 HB3 LYS A 24 25.793 16.770 28.613 1.00 0.00 H new ATOM 0 HG2 LYS A 24 25.844 19.095 28.899 1.00 0.00 H new ATOM 0 HG3 LYS A 24 24.342 19.134 29.801 1.00 0.00 H new ATOM 0 HD2 LYS A 24 26.134 19.577 31.366 1.00 0.00 H new ATOM 0 HD3 LYS A 24 25.508 17.979 31.724 1.00 0.00 H new ATOM 0 HE2 LYS A 24 27.441 17.123 30.151 1.00 0.00 H new ATOM 0 HE3 LYS A 24 28.129 18.717 30.386 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 28.982 17.149 31.996 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 28.081 18.355 32.781 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 27.415 16.810 32.553 1.00 0.00 H new ATOM 346 N THR A 25 22.101 17.342 30.095 1.00 0.00 N ATOM 347 CA THR A 25 20.984 17.967 30.793 1.00 0.00 C ATOM 348 C THR A 25 21.352 18.397 32.201 1.00 0.00 C ATOM 349 O THR A 25 22.425 18.101 32.727 1.00 0.00 O ATOM 350 CB THR A 25 19.725 17.102 30.712 1.00 0.00 C ATOM 351 OG1 THR A 25 18.614 17.611 31.378 1.00 0.00 O ATOM 352 CG2 THR A 25 19.870 15.778 31.357 1.00 0.00 C ATOM 0 H THR A 25 22.580 16.624 30.638 1.00 0.00 H new ATOM 0 HA THR A 25 20.742 18.895 30.276 1.00 0.00 H new ATOM 0 HB THR A 25 19.588 17.061 29.631 1.00 0.00 H new ATOM 0 HG1 THR A 25 18.519 17.163 32.245 1.00 0.00 H new ATOM 0 HG21 THR A 25 18.938 15.222 31.259 1.00 0.00 H new ATOM 0 HG22 THR A 25 20.675 15.224 30.874 1.00 0.00 H new ATOM 0 HG23 THR A 25 20.104 15.911 32.413 1.00 0.00 H new ATOM 360 N ASP A 26 20.434 19.170 32.746 1.00 0.00 N ATOM 361 CA ASP A 26 20.353 19.684 34.101 1.00 0.00 C ATOM 362 C ASP A 26 19.876 18.555 35.058 1.00 0.00 C ATOM 363 O ASP A 26 20.181 17.375 34.859 1.00 0.00 O ATOM 364 CB ASP A 26 19.397 20.893 34.024 1.00 0.00 C ATOM 365 CG ASP A 26 17.971 20.541 33.590 1.00 0.00 C ATOM 366 OD1 ASP A 26 17.632 19.339 33.450 1.00 0.00 O ATOM 367 OD2 ASP A 26 17.210 21.500 33.389 1.00 0.00 O ATOM 0 H ASP A 26 19.640 19.488 32.190 1.00 0.00 H new ATOM 0 HA ASP A 26 21.311 20.011 34.506 1.00 0.00 H new ATOM 0 HB2 ASP A 26 19.359 21.374 35.001 1.00 0.00 H new ATOM 0 HB3 ASP A 26 19.807 21.622 33.326 1.00 0.00 H new ATOM 372 N GLN A 27 19.147 18.905 36.120 1.00 0.00 N ATOM 373 CA GLN A 27 18.514 17.958 37.060 1.00 0.00 C ATOM 374 C GLN A 27 17.059 17.576 36.705 1.00 0.00 C ATOM 375 O GLN A 27 16.496 16.657 37.304 1.00 0.00 O ATOM 376 CB GLN A 27 18.560 18.550 38.478 1.00 0.00 C ATOM 377 CG GLN A 27 17.865 19.921 38.585 1.00 0.00 C ATOM 378 CD GLN A 27 18.892 21.040 38.592 1.00 0.00 C ATOM 379 OE1 GLN A 27 19.323 21.509 37.555 1.00 0.00 O ATOM 380 NE2 GLN A 27 19.383 21.459 39.739 1.00 0.00 N ATOM 0 H GLN A 27 18.972 19.880 36.362 1.00 0.00 H new ATOM 0 HA GLN A 27 19.087 17.033 36.993 1.00 0.00 H new ATOM 0 HB2 GLN A 27 18.086 17.855 39.171 1.00 0.00 H new ATOM 0 HB3 GLN A 27 19.600 18.651 38.789 1.00 0.00 H new ATOM 0 HG2 GLN A 27 17.180 20.054 37.748 1.00 0.00 H new ATOM 0 HG3 GLN A 27 17.268 19.962 39.496 1.00 0.00 H new ATOM 0 HE21 GLN A 27 19.031 21.074 40.616 1.00 0.00 H new ATOM 0 HE22 GLN A 27 20.116 22.168 39.751 1.00 0.00 H new ATOM 389 N TYR A 28 16.445 18.284 35.758 1.00 0.00 N ATOM 390 CA TYR A 28 15.050 18.159 35.333 1.00 0.00 C ATOM 391 C TYR A 28 14.881 17.180 34.170 1.00 0.00 C ATOM 392 O TYR A 28 13.846 16.519 34.056 1.00 0.00 O ATOM 393 CB TYR A 28 14.589 19.553 34.876 1.00 0.00 C ATOM 394 CG TYR A 28 14.489 20.621 35.941 1.00 0.00 C ATOM 395 CD1 TYR A 28 14.059 20.345 37.253 1.00 0.00 C ATOM 396 CD2 TYR A 28 14.835 21.930 35.576 1.00 0.00 C ATOM 397 CE1 TYR A 28 13.990 21.380 38.203 1.00 0.00 C ATOM 398 CE2 TYR A 28 14.752 22.976 36.517 1.00 0.00 C ATOM 399 CZ TYR A 28 14.342 22.698 37.842 1.00 0.00 C ATOM 400 OH TYR A 28 14.262 23.696 38.765 1.00 0.00 O ATOM 0 H TYR A 28 16.939 19.006 35.234 1.00 0.00 H new ATOM 0 HA TYR A 28 14.460 17.777 36.166 1.00 0.00 H new ATOM 0 HB2 TYR A 28 15.278 19.903 34.107 1.00 0.00 H new ATOM 0 HB3 TYR A 28 13.611 19.450 34.405 1.00 0.00 H new ATOM 0 HD1 TYR A 28 13.782 19.339 37.530 1.00 0.00 H new ATOM 0 HD2 TYR A 28 15.167 22.138 34.569 1.00 0.00 H new ATOM 0 HE1 TYR A 28 13.667 21.166 39.211 1.00 0.00 H new ATOM 0 HE2 TYR A 28 15.001 23.986 36.227 1.00 0.00 H new ATOM 0 HH TYR A 28 14.540 24.542 38.357 1.00 0.00 H new ATOM 410 N GLY A 29 15.901 17.071 33.318 1.00 0.00 N ATOM 411 CA GLY A 29 15.879 16.275 32.088 1.00 0.00 C ATOM 412 C GLY A 29 15.830 17.107 30.804 1.00 0.00 C ATOM 413 O GLY A 29 15.648 16.539 29.721 1.00 0.00 O ATOM 0 H GLY A 29 16.791 17.547 33.468 1.00 0.00 H new ATOM 0 HA2 GLY A 29 16.765 15.640 32.063 1.00 0.00 H new ATOM 0 HA3 GLY A 29 15.013 15.613 32.112 1.00 0.00 H new ATOM 417 N LEU A 30 15.991 18.433 30.911 1.00 0.00 N ATOM 418 CA LEU A 30 16.067 19.360 29.788 1.00 0.00 C ATOM 419 C LEU A 30 17.413 19.190 29.124 1.00 0.00 C ATOM 420 O LEU A 30 18.433 19.710 29.554 1.00 0.00 O ATOM 421 CB LEU A 30 15.981 20.815 30.215 1.00 0.00 C ATOM 422 CG LEU A 30 14.602 21.340 30.561 1.00 0.00 C ATOM 423 CD1 LEU A 30 14.145 20.568 31.748 1.00 0.00 C ATOM 424 CD2 LEU A 30 14.820 22.756 31.016 1.00 0.00 C ATOM 0 H LEU A 30 16.074 18.899 31.814 1.00 0.00 H new ATOM 0 HA LEU A 30 15.227 19.135 29.131 1.00 0.00 H new ATOM 0 HB2 LEU A 30 16.626 20.954 31.082 1.00 0.00 H new ATOM 0 HB3 LEU A 30 16.388 21.430 29.413 1.00 0.00 H new ATOM 0 HG LEU A 30 13.894 21.267 29.735 1.00 0.00 H new ATOM 0 HD11 LEU A 30 13.152 20.907 32.042 1.00 0.00 H new ATOM 0 HD12 LEU A 30 14.108 19.507 31.500 1.00 0.00 H new ATOM 0 HD13 LEU A 30 14.840 20.724 32.573 1.00 0.00 H new ATOM 0 HD21 LEU A 30 13.863 23.203 31.284 1.00 0.00 H new ATOM 0 HD22 LEU A 30 15.479 22.762 31.884 1.00 0.00 H new ATOM 0 HD23 LEU A 30 15.276 23.331 30.210 1.00 0.00 H new ATOM 436 N THR A 31 17.407 18.473 28.028 1.00 0.00 N ATOM 437 CA THR A 31 18.612 18.287 27.248 1.00 0.00 C ATOM 438 C THR A 31 18.854 19.513 26.375 1.00 0.00 C ATOM 439 O THR A 31 18.011 19.917 25.566 1.00 0.00 O ATOM 440 CB THR A 31 18.565 17.020 26.412 1.00 0.00 C ATOM 441 OG1 THR A 31 18.412 15.911 27.275 1.00 0.00 O ATOM 442 CG2 THR A 31 19.900 16.952 25.687 1.00 0.00 C ATOM 0 H THR A 31 16.581 18.007 27.653 1.00 0.00 H new ATOM 0 HA THR A 31 19.446 18.170 27.940 1.00 0.00 H new ATOM 0 HB THR A 31 17.736 17.015 25.704 1.00 0.00 H new ATOM 0 HG1 THR A 31 18.379 15.087 26.746 1.00 0.00 H new ATOM 0 HG21 THR A 31 19.931 16.058 25.064 1.00 0.00 H new ATOM 0 HG22 THR A 31 20.019 17.835 25.059 1.00 0.00 H new ATOM 0 HG23 THR A 31 20.709 16.914 26.417 1.00 0.00 H new ATOM 450 N TYR A 32 20.044 20.067 26.528 1.00 0.00 N ATOM 451 CA TYR A 32 20.530 21.252 25.851 1.00 0.00 C ATOM 452 C TYR A 32 21.944 20.991 25.283 1.00 0.00 C ATOM 453 O TYR A 32 22.632 20.051 25.687 1.00 0.00 O ATOM 454 CB TYR A 32 20.412 22.402 26.866 1.00 0.00 C ATOM 455 CG TYR A 32 20.843 22.083 28.292 1.00 0.00 C ATOM 456 CD1 TYR A 32 22.180 21.759 28.533 1.00 0.00 C ATOM 457 CD2 TYR A 32 19.934 22.061 29.374 1.00 0.00 C ATOM 458 CE1 TYR A 32 22.657 21.655 29.854 1.00 0.00 C ATOM 459 CE2 TYR A 32 20.349 21.805 30.679 1.00 0.00 C ATOM 460 CZ TYR A 32 21.743 21.689 30.935 1.00 0.00 C ATOM 461 OH TYR A 32 22.211 21.584 32.207 1.00 0.00 O ATOM 0 H TYR A 32 20.737 19.677 27.167 1.00 0.00 H new ATOM 0 HA TYR A 32 19.948 21.529 24.972 1.00 0.00 H new ATOM 0 HB2 TYR A 32 21.009 23.240 26.506 1.00 0.00 H new ATOM 0 HB3 TYR A 32 19.375 22.736 26.887 1.00 0.00 H new ATOM 0 HD1 TYR A 32 22.850 21.588 27.704 1.00 0.00 H new ATOM 0 HD2 TYR A 32 18.887 22.248 29.184 1.00 0.00 H new ATOM 0 HE1 TYR A 32 23.715 21.550 30.042 1.00 0.00 H new ATOM 0 HE2 TYR A 32 19.629 21.697 31.477 1.00 0.00 H new ATOM 0 HH TYR A 32 21.836 22.305 32.754 1.00 0.00 H new ATOM 471 N ARG A 33 22.410 21.845 24.365 1.00 0.00 N ATOM 472 CA ARG A 33 23.765 21.802 23.790 1.00 0.00 C ATOM 473 C ARG A 33 24.593 22.938 24.380 1.00 0.00 C ATOM 474 O ARG A 33 24.257 24.110 24.228 1.00 0.00 O ATOM 475 CB ARG A 33 23.742 21.808 22.258 1.00 0.00 C ATOM 476 CG ARG A 33 23.499 20.397 21.692 1.00 0.00 C ATOM 477 CD ARG A 33 23.527 20.366 20.157 1.00 0.00 C ATOM 478 NE ARG A 33 22.224 20.727 19.576 1.00 0.00 N ATOM 479 CZ ARG A 33 21.977 21.088 18.329 1.00 0.00 C ATOM 480 NH1 ARG A 33 22.901 21.272 17.431 1.00 0.00 N ATOM 481 NH2 ARG A 33 20.759 21.277 17.922 1.00 0.00 N ATOM 0 H ARG A 33 21.843 22.606 23.990 1.00 0.00 H new ATOM 0 HA ARG A 33 24.240 20.859 24.060 1.00 0.00 H new ATOM 0 HB2 ARG A 33 22.960 22.481 21.907 1.00 0.00 H new ATOM 0 HB3 ARG A 33 24.689 22.195 21.880 1.00 0.00 H new ATOM 0 HG2 ARG A 33 24.258 19.718 22.080 1.00 0.00 H new ATOM 0 HG3 ARG A 33 22.534 20.030 22.042 1.00 0.00 H new ATOM 0 HD2 ARG A 33 24.290 21.055 19.794 1.00 0.00 H new ATOM 0 HD3 ARG A 33 23.811 19.369 19.819 1.00 0.00 H new ATOM 0 HE ARG A 33 21.422 20.695 20.206 1.00 0.00 H new ATOM 0 HH11 ARG A 33 23.882 21.137 17.674 1.00 0.00 H new ATOM 0 HH12 ARG A 33 22.644 21.551 16.484 1.00 0.00 H new ATOM 0 HH21 ARG A 33 19.980 21.147 18.567 1.00 0.00 H new ATOM 0 HH22 ARG A 33 20.581 21.556 16.957 1.00 0.00 H new ATOM 495 N THR A 34 25.669 22.580 25.073 1.00 0.00 N ATOM 496 CA THR A 34 26.529 23.505 25.835 1.00 0.00 C ATOM 497 C THR A 34 28.011 23.269 25.604 1.00 0.00 C ATOM 498 O THR A 34 28.436 22.121 25.485 1.00 0.00 O ATOM 499 CB THR A 34 26.260 23.349 27.341 1.00 0.00 C ATOM 500 OG1 THR A 34 26.235 21.986 27.711 1.00 0.00 O ATOM 501 CG2 THR A 34 24.898 23.949 27.690 1.00 0.00 C ATOM 0 H THR A 34 25.984 21.611 25.127 1.00 0.00 H new ATOM 0 HA THR A 34 26.282 24.507 25.483 1.00 0.00 H new ATOM 0 HB THR A 34 27.060 23.863 27.874 1.00 0.00 H new ATOM 0 HG1 THR A 34 26.064 21.911 28.673 1.00 0.00 H new ATOM 0 HG21 THR A 34 24.713 23.835 28.758 1.00 0.00 H new ATOM 0 HG22 THR A 34 24.890 25.008 27.431 1.00 0.00 H new ATOM 0 HG23 THR A 34 24.119 23.432 27.130 1.00 0.00 H new ATOM 509 N CYS A 35 28.794 24.348 25.595 1.00 0.00 N ATOM 510 CA CYS A 35 30.258 24.265 25.500 1.00 0.00 C ATOM 511 C CYS A 35 30.830 23.649 26.789 1.00 0.00 C ATOM 512 O CYS A 35 30.929 24.335 27.807 1.00 0.00 O ATOM 513 CB CYS A 35 30.875 25.650 25.249 1.00 0.00 C ATOM 514 SG CYS A 35 30.488 26.463 23.670 1.00 0.00 S ATOM 0 H CYS A 35 28.437 25.302 25.653 1.00 0.00 H new ATOM 0 HA CYS A 35 30.513 23.627 24.654 1.00 0.00 H new ATOM 0 HB2 CYS A 35 30.558 26.311 26.055 1.00 0.00 H new ATOM 0 HB3 CYS A 35 31.958 25.555 25.322 1.00 0.00 H new ATOM 519 N ASN A 36 31.157 22.356 26.775 1.00 0.00 N ATOM 520 CA ASN A 36 31.812 21.686 27.900 1.00 0.00 C ATOM 521 C ASN A 36 33.341 21.761 27.732 1.00 0.00 C ATOM 522 O ASN A 36 33.868 21.895 26.628 1.00 0.00 O ATOM 523 CB ASN A 36 31.360 20.210 28.020 1.00 0.00 C ATOM 524 CG ASN A 36 31.772 19.637 29.371 1.00 0.00 C ATOM 525 OD1 ASN A 36 31.481 20.206 30.408 1.00 0.00 O ATOM 526 ND2 ASN A 36 32.516 18.558 29.420 1.00 0.00 N ATOM 0 H ASN A 36 30.975 21.742 25.981 1.00 0.00 H new ATOM 0 HA ASN A 36 31.521 22.198 28.817 1.00 0.00 H new ATOM 0 HB2 ASN A 36 30.278 20.144 27.904 1.00 0.00 H new ATOM 0 HB3 ASN A 36 31.803 19.621 27.217 1.00 0.00 H new ATOM 0 HD21 ASN A 36 32.844 18.205 30.319 1.00 0.00 H new ATOM 0 HD22 ASN A 36 32.767 18.072 28.559 1.00 0.00 H new ATOM 533 N LEU A 37 34.081 21.626 28.833 1.00 0.00 N ATOM 534 CA LEU A 37 35.531 21.552 28.816 1.00 0.00 C ATOM 535 C LEU A 37 36.072 20.278 28.138 1.00 0.00 C ATOM 536 O LEU A 37 37.229 20.269 27.734 1.00 0.00 O ATOM 537 CB LEU A 37 35.989 21.645 30.266 1.00 0.00 C ATOM 538 CG LEU A 37 35.878 23.095 30.740 1.00 0.00 C ATOM 539 CD1 LEU A 37 35.096 23.119 32.030 1.00 0.00 C ATOM 540 CD2 LEU A 37 37.281 23.613 30.916 1.00 0.00 C ATOM 0 H LEU A 37 33.680 21.565 29.769 1.00 0.00 H new ATOM 0 HA LEU A 37 35.929 22.371 28.216 1.00 0.00 H new ATOM 0 HB2 LEU A 37 35.378 20.997 30.895 1.00 0.00 H new ATOM 0 HB3 LEU A 37 37.018 21.299 30.357 1.00 0.00 H new ATOM 0 HG LEU A 37 35.354 23.730 30.026 1.00 0.00 H new ATOM 0 HD11 LEU A 37 35.007 24.147 32.383 1.00 0.00 H new ATOM 0 HD12 LEU A 37 34.101 22.706 31.860 1.00 0.00 H new ATOM 0 HD13 LEU A 37 35.614 22.521 32.780 1.00 0.00 H new ATOM 0 HD21 LEU A 37 37.247 24.648 31.255 1.00 0.00 H new ATOM 0 HD22 LEU A 37 37.803 23.006 31.656 1.00 0.00 H new ATOM 0 HD23 LEU A 37 37.811 23.560 29.965 1.00 0.00 H new ATOM 552 N LEU A 38 35.247 19.225 28.026 1.00 0.00 N ATOM 553 CA LEU A 38 35.601 17.889 27.518 1.00 0.00 C ATOM 554 C LEU A 38 34.455 17.168 26.778 1.00 0.00 C ATOM 555 O LEU A 38 33.297 17.557 26.957 1.00 0.00 O ATOM 556 CB LEU A 38 36.032 17.036 28.723 1.00 0.00 C ATOM 557 CG LEU A 38 37.338 17.432 29.397 1.00 0.00 C ATOM 558 CD1 LEU A 38 37.495 16.535 30.616 1.00 0.00 C ATOM 559 CD2 LEU A 38 38.443 17.225 28.388 1.00 0.00 C ATOM 0 H LEU A 38 34.266 19.285 28.301 1.00 0.00 H new ATOM 0 HA LEU A 38 36.396 18.019 26.784 1.00 0.00 H new ATOM 0 HB2 LEU A 38 35.238 17.071 29.469 1.00 0.00 H new ATOM 0 HB3 LEU A 38 36.116 16.000 28.396 1.00 0.00 H new ATOM 0 HG LEU A 38 37.363 18.472 29.723 1.00 0.00 H new ATOM 0 HD11 LEU A 38 38.422 16.783 31.134 1.00 0.00 H new ATOM 0 HD12 LEU A 38 36.651 16.686 31.290 1.00 0.00 H new ATOM 0 HD13 LEU A 38 37.525 15.492 30.299 1.00 0.00 H new ATOM 0 HD21 LEU A 38 39.399 17.499 28.834 1.00 0.00 H new ATOM 0 HD22 LEU A 38 38.470 16.178 28.087 1.00 0.00 H new ATOM 0 HD23 LEU A 38 38.259 17.849 27.514 1.00 0.00 H new ATOM 571 N PRO A 39 34.750 16.127 25.969 1.00 0.00 N ATOM 572 CA PRO A 39 33.739 15.327 25.283 1.00 0.00 C ATOM 573 C PRO A 39 33.036 14.329 26.227 1.00 0.00 C ATOM 574 O PRO A 39 33.491 14.134 27.376 1.00 0.00 O ATOM 575 CB PRO A 39 34.500 14.638 24.150 1.00 0.00 C ATOM 576 CG PRO A 39 35.886 14.405 24.744 1.00 0.00 C ATOM 577 CD PRO A 39 36.084 15.602 25.676 1.00 0.00 C ATOM 0 HA PRO A 39 32.921 15.939 24.904 1.00 0.00 H new ATOM 0 HB2 PRO A 39 34.025 13.701 23.859 1.00 0.00 H new ATOM 0 HB3 PRO A 39 34.545 15.263 23.258 1.00 0.00 H new ATOM 0 HG2 PRO A 39 35.936 13.461 25.287 1.00 0.00 H new ATOM 0 HG3 PRO A 39 36.653 14.368 23.970 1.00 0.00 H new ATOM 0 HD2 PRO A 39 36.592 15.300 26.592 1.00 0.00 H new ATOM 0 HD3 PRO A 39 36.705 16.363 25.203 1.00 0.00 H new TER 585 PRO A 39