USER MOD reduce.3.24.130724 H: found=0, std=0, add=255, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 255 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+ -131:sc= -1.88 (180deg=-4.53!) USER MOD Single : A 4 LYS NZ :NH3+ 140:sc= 0.56 (180deg=-2.39!) USER MOD Single : A 7 SER OG : rot 40:sc= 0.0338 USER MOD Single : A 9 HIS : no HD1:sc= -7.25! K(o=-7.3!,f=-2) USER MOD Single : A 15 SER OG : rot -120:sc= -0.2 USER MOD Single : A 16 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 19 LYS NZ :NH3+ -151:sc= -3.13! (180deg=-4.44!) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 157:sc= 0.00988 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 ASN : amide:sc= -3.03 K(o=-3,f=0.38) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 3.470 2.692 -7.549 1.00 0.00 N ATOM 2 CA LEU A 1 2.197 2.363 -6.870 1.00 0.00 C ATOM 3 C LEU A 1 1.191 3.496 -7.031 1.00 0.00 C ATOM 4 O LEU A 1 1.566 4.669 -7.102 1.00 0.00 O ATOM 5 CB LEU A 1 2.459 2.117 -5.384 1.00 0.00 C ATOM 6 CG LEU A 1 3.118 0.783 -5.016 1.00 0.00 C ATOM 7 CD1 LEU A 1 2.247 -0.389 -5.448 1.00 0.00 C ATOM 8 CD2 LEU A 1 4.505 0.673 -5.631 1.00 0.00 C ATOM 0 H1 LEU A 1 3.762 1.892 -8.146 1.00 0.00 H new ATOM 0 H2 LEU A 1 3.339 3.537 -8.141 1.00 0.00 H new ATOM 0 H3 LEU A 1 4.205 2.879 -6.837 1.00 0.00 H new ATOM 0 HA LEU A 1 1.782 1.464 -7.325 1.00 0.00 H new ATOM 0 HB2 LEU A 1 3.090 2.923 -5.011 1.00 0.00 H new ATOM 0 HB3 LEU A 1 1.509 2.185 -4.854 1.00 0.00 H new ATOM 0 HG LEU A 1 3.223 0.750 -3.932 1.00 0.00 H new ATOM 0 HD11 LEU A 1 2.735 -1.325 -5.176 1.00 0.00 H new ATOM 0 HD12 LEU A 1 1.280 -0.326 -4.950 1.00 0.00 H new ATOM 0 HD13 LEU A 1 2.102 -0.356 -6.528 1.00 0.00 H new ATOM 0 HD21 LEU A 1 4.951 -0.283 -5.355 1.00 0.00 H new ATOM 0 HD22 LEU A 1 4.428 0.737 -6.716 1.00 0.00 H new ATOM 0 HD23 LEU A 1 5.132 1.486 -5.263 1.00 0.00 H new ATOM 22 N PHE A 2 -0.083 3.138 -7.095 1.00 0.00 N ATOM 23 CA PHE A 2 -1.152 4.113 -7.253 1.00 0.00 C ATOM 24 C PHE A 2 -1.341 4.953 -5.990 1.00 0.00 C ATOM 25 O PHE A 2 -0.614 5.920 -5.758 1.00 0.00 O ATOM 26 CB PHE A 2 -2.460 3.407 -7.630 1.00 0.00 C ATOM 27 CG PHE A 2 -2.507 2.907 -9.052 1.00 0.00 C ATOM 28 CD1 PHE A 2 -1.398 2.318 -9.643 1.00 0.00 C ATOM 29 CD2 PHE A 2 -3.669 3.029 -9.797 1.00 0.00 C ATOM 30 CE1 PHE A 2 -1.450 1.864 -10.947 1.00 0.00 C ATOM 31 CE2 PHE A 2 -3.726 2.575 -11.100 1.00 0.00 C ATOM 32 CZ PHE A 2 -2.616 1.991 -11.676 1.00 0.00 C ATOM 0 H PHE A 2 -0.403 2.171 -7.039 1.00 0.00 H new ATOM 0 HA PHE A 2 -0.869 4.791 -8.058 1.00 0.00 H new ATOM 0 HB2 PHE A 2 -2.612 2.564 -6.956 1.00 0.00 H new ATOM 0 HB3 PHE A 2 -3.290 4.096 -7.472 1.00 0.00 H new ATOM 0 HD1 PHE A 2 -0.484 2.213 -9.077 1.00 0.00 H new ATOM 0 HD2 PHE A 2 -4.541 3.485 -9.353 1.00 0.00 H new ATOM 0 HE1 PHE A 2 -0.579 1.410 -11.396 1.00 0.00 H new ATOM 0 HE2 PHE A 2 -4.639 2.677 -11.668 1.00 0.00 H new ATOM 0 HZ PHE A 2 -2.659 1.634 -12.694 1.00 0.00 H new ATOM 42 N CYS A 3 -2.337 4.588 -5.197 1.00 0.00 N ATOM 43 CA CYS A 3 -2.670 5.306 -3.968 1.00 0.00 C ATOM 44 C CYS A 3 -1.431 5.798 -3.224 1.00 0.00 C ATOM 45 O CYS A 3 -0.683 5.013 -2.647 1.00 0.00 O ATOM 46 CB CYS A 3 -3.513 4.421 -3.048 1.00 0.00 C ATOM 47 SG CYS A 3 -3.519 4.950 -1.302 1.00 0.00 S ATOM 0 H CYS A 3 -2.939 3.786 -5.384 1.00 0.00 H new ATOM 0 HA CYS A 3 -3.244 6.185 -4.260 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -4.539 4.408 -3.415 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -3.141 3.398 -3.105 1.00 0.00 H new ATOM 52 N LYS A 4 -1.245 7.113 -3.236 1.00 0.00 N ATOM 53 CA LYS A 4 -0.129 7.764 -2.561 1.00 0.00 C ATOM 54 C LYS A 4 1.127 6.899 -2.611 1.00 0.00 C ATOM 55 O LYS A 4 1.865 6.784 -1.628 1.00 0.00 O ATOM 56 CB LYS A 4 -0.507 8.092 -1.113 1.00 0.00 C ATOM 57 CG LYS A 4 0.463 9.045 -0.428 1.00 0.00 C ATOM 58 CD LYS A 4 -0.064 9.508 0.924 1.00 0.00 C ATOM 59 CE LYS A 4 -0.240 8.349 1.891 1.00 0.00 C ATOM 60 NZ LYS A 4 1.037 7.632 2.132 1.00 0.00 N ATOM 0 H LYS A 4 -1.868 7.761 -3.717 1.00 0.00 H new ATOM 0 HA LYS A 4 0.091 8.695 -3.084 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -1.505 8.530 -1.098 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -0.557 7.165 -0.541 1.00 0.00 H new ATOM 0 HG2 LYS A 4 1.425 8.551 -0.294 1.00 0.00 H new ATOM 0 HG3 LYS A 4 0.636 9.911 -1.067 1.00 0.00 H new ATOM 0 HD2 LYS A 4 0.625 10.236 1.352 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -1.019 10.015 0.787 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -0.631 8.722 2.837 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -0.978 7.653 1.493 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 1.108 7.377 3.138 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 1.065 6.768 1.553 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 1.835 8.247 1.874 1.00 0.00 H new ATOM 74 N GLY A 5 1.371 6.303 -3.763 1.00 0.00 N ATOM 75 CA GLY A 5 2.536 5.462 -3.929 1.00 0.00 C ATOM 76 C GLY A 5 2.411 4.155 -3.177 1.00 0.00 C ATOM 77 O GLY A 5 3.369 3.691 -2.557 1.00 0.00 O ATOM 0 H GLY A 5 0.781 6.386 -4.591 1.00 0.00 H new ATOM 0 HA2 GLY A 5 2.685 5.256 -4.989 1.00 0.00 H new ATOM 0 HA3 GLY A 5 3.420 5.996 -3.581 1.00 0.00 H new ATOM 81 N GLY A 6 1.227 3.567 -3.241 1.00 0.00 N ATOM 82 CA GLY A 6 0.963 2.306 -2.578 1.00 0.00 C ATOM 83 C GLY A 6 -0.331 1.693 -3.062 1.00 0.00 C ATOM 84 O GLY A 6 -1.334 2.385 -3.180 1.00 0.00 O ATOM 0 H GLY A 6 0.430 3.949 -3.750 1.00 0.00 H new ATOM 0 HA2 GLY A 6 1.786 1.616 -2.762 1.00 0.00 H new ATOM 0 HA3 GLY A 6 0.913 2.462 -1.500 1.00 0.00 H new ATOM 88 N SER A 7 -0.316 0.402 -3.351 1.00 0.00 N ATOM 89 CA SER A 7 -1.513 -0.274 -3.822 1.00 0.00 C ATOM 90 C SER A 7 -2.469 -0.526 -2.662 1.00 0.00 C ATOM 91 O SER A 7 -2.090 -1.135 -1.662 1.00 0.00 O ATOM 92 CB SER A 7 -1.135 -1.590 -4.510 1.00 0.00 C ATOM 93 OG SER A 7 -0.145 -2.288 -3.771 1.00 0.00 O ATOM 0 H SER A 7 0.507 -0.196 -3.268 1.00 0.00 H new ATOM 0 HA SER A 7 -2.018 0.363 -4.548 1.00 0.00 H new ATOM 0 HB2 SER A 7 -2.021 -2.215 -4.617 1.00 0.00 H new ATOM 0 HB3 SER A 7 -0.766 -1.385 -5.515 1.00 0.00 H new ATOM 0 HG SER A 7 -0.340 -2.216 -2.813 1.00 0.00 H new ATOM 99 N CYS A 8 -3.700 -0.049 -2.789 1.00 0.00 N ATOM 100 CA CYS A 8 -4.696 -0.224 -1.740 1.00 0.00 C ATOM 101 C CYS A 8 -4.848 -1.701 -1.388 1.00 0.00 C ATOM 102 O CYS A 8 -4.977 -2.554 -2.264 1.00 0.00 O ATOM 103 CB CYS A 8 -6.020 0.416 -2.165 1.00 0.00 C ATOM 104 SG CYS A 8 -5.858 2.219 -2.442 1.00 0.00 S ATOM 0 H CYS A 8 -4.033 0.462 -3.607 1.00 0.00 H new ATOM 0 HA CYS A 8 -4.364 0.284 -0.834 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -6.375 -0.060 -3.079 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -6.773 0.234 -1.398 1.00 0.00 H new ATOM 109 N HIS A 9 -4.775 -1.988 -0.093 1.00 0.00 N ATOM 110 CA HIS A 9 -4.849 -3.354 0.415 1.00 0.00 C ATOM 111 C HIS A 9 -6.070 -4.110 -0.091 1.00 0.00 C ATOM 112 O HIS A 9 -7.094 -4.185 0.585 1.00 0.00 O ATOM 113 CB HIS A 9 -4.835 -3.369 1.948 1.00 0.00 C ATOM 114 CG HIS A 9 -3.513 -3.753 2.536 1.00 0.00 C ATOM 115 ND1 HIS A 9 -3.330 -3.980 3.880 1.00 0.00 N ATOM 116 CD2 HIS A 9 -2.305 -3.943 1.957 1.00 0.00 C ATOM 117 CE1 HIS A 9 -2.070 -4.295 4.104 1.00 0.00 C ATOM 118 NE2 HIS A 9 -1.425 -4.282 2.953 1.00 0.00 N ATOM 0 H HIS A 9 -4.663 -1.281 0.634 1.00 0.00 H new ATOM 0 HA HIS A 9 -3.965 -3.866 0.034 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -5.112 -2.380 2.314 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -5.596 -4.065 2.302 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -2.076 -3.846 0.906 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -1.638 -4.525 5.067 1.00 0.00 H new ATOM 0 HE2 HIS A 9 -0.435 -4.490 2.825 1.00 0.00 H new ATOM 127 N PHE A 10 -5.938 -4.703 -1.262 1.00 0.00 N ATOM 128 CA PHE A 10 -7.007 -5.501 -1.839 1.00 0.00 C ATOM 129 C PHE A 10 -7.018 -6.873 -1.174 1.00 0.00 C ATOM 130 O PHE A 10 -6.917 -7.901 -1.847 1.00 0.00 O ATOM 131 CB PHE A 10 -6.818 -5.645 -3.354 1.00 0.00 C ATOM 132 CG PHE A 10 -7.311 -4.471 -4.155 1.00 0.00 C ATOM 133 CD1 PHE A 10 -7.437 -3.213 -3.583 1.00 0.00 C ATOM 134 CD2 PHE A 10 -7.656 -4.632 -5.487 1.00 0.00 C ATOM 135 CE1 PHE A 10 -7.896 -2.143 -4.326 1.00 0.00 C ATOM 136 CE2 PHE A 10 -8.115 -3.565 -6.234 1.00 0.00 C ATOM 137 CZ PHE A 10 -8.234 -2.319 -5.652 1.00 0.00 C ATOM 0 H PHE A 10 -5.097 -4.648 -1.836 1.00 0.00 H new ATOM 0 HA PHE A 10 -7.961 -5.003 -1.666 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -5.759 -5.793 -3.563 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -7.338 -6.542 -3.689 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -7.173 -3.069 -2.546 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -7.565 -5.605 -5.947 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -7.990 -1.169 -3.869 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -8.380 -3.705 -7.271 1.00 0.00 H new ATOM 0 HZ PHE A 10 -8.591 -1.483 -6.234 1.00 0.00 H new ATOM 147 N GLY A 11 -7.099 -6.883 0.153 1.00 0.00 N ATOM 148 CA GLY A 11 -7.086 -8.137 0.880 1.00 0.00 C ATOM 149 C GLY A 11 -5.711 -8.769 0.863 1.00 0.00 C ATOM 150 O GLY A 11 -5.566 -9.977 0.666 1.00 0.00 O ATOM 0 H GLY A 11 -7.173 -6.048 0.735 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -7.397 -7.965 1.911 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -7.809 -8.823 0.439 1.00 0.00 H new ATOM 154 N GLY A 12 -4.699 -7.940 1.065 1.00 0.00 N ATOM 155 CA GLY A 12 -3.329 -8.405 1.071 1.00 0.00 C ATOM 156 C GLY A 12 -2.410 -7.435 0.363 1.00 0.00 C ATOM 157 O GLY A 12 -2.603 -6.221 0.438 1.00 0.00 O ATOM 0 H GLY A 12 -4.806 -6.939 1.227 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -2.994 -8.540 2.100 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -3.273 -9.380 0.587 1.00 0.00 H new ATOM 161 N CYS A 13 -1.422 -7.971 -0.334 1.00 0.00 N ATOM 162 CA CYS A 13 -0.464 -7.163 -1.075 1.00 0.00 C ATOM 163 C CYS A 13 0.472 -8.098 -1.844 1.00 0.00 C ATOM 164 O CYS A 13 0.632 -9.263 -1.471 1.00 0.00 O ATOM 165 CB CYS A 13 0.337 -6.255 -0.125 1.00 0.00 C ATOM 166 SG CYS A 13 0.955 -4.710 -0.881 1.00 0.00 S ATOM 0 H CYS A 13 -1.260 -8.976 -0.403 1.00 0.00 H new ATOM 0 HA CYS A 13 -0.995 -6.517 -1.774 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -0.293 -5.999 0.727 1.00 0.00 H new ATOM 0 HB3 CYS A 13 1.186 -6.818 0.263 1.00 0.00 H new ATOM 171 N PRO A 14 1.099 -7.612 -2.921 1.00 0.00 N ATOM 172 CA PRO A 14 2.012 -8.413 -3.741 1.00 0.00 C ATOM 173 C PRO A 14 2.986 -9.225 -2.897 1.00 0.00 C ATOM 174 O PRO A 14 3.348 -10.346 -3.255 1.00 0.00 O ATOM 175 CB PRO A 14 2.753 -7.359 -4.562 1.00 0.00 C ATOM 176 CG PRO A 14 1.771 -6.250 -4.704 1.00 0.00 C ATOM 177 CD PRO A 14 0.970 -6.239 -3.428 1.00 0.00 C ATOM 0 HA PRO A 14 1.486 -9.151 -4.346 1.00 0.00 H new ATOM 0 HB2 PRO A 14 3.660 -7.026 -4.057 1.00 0.00 H new ATOM 0 HB3 PRO A 14 3.055 -7.751 -5.533 1.00 0.00 H new ATOM 0 HG2 PRO A 14 2.278 -5.297 -4.855 1.00 0.00 H new ATOM 0 HG3 PRO A 14 1.126 -6.408 -5.568 1.00 0.00 H new ATOM 0 HD2 PRO A 14 1.361 -5.512 -2.717 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -0.072 -5.977 -3.612 1.00 0.00 H new ATOM 185 N SER A 15 3.404 -8.654 -1.778 1.00 0.00 N ATOM 186 CA SER A 15 4.335 -9.321 -0.879 1.00 0.00 C ATOM 187 C SER A 15 4.370 -8.613 0.474 1.00 0.00 C ATOM 188 O SER A 15 5.431 -8.208 0.957 1.00 0.00 O ATOM 189 CB SER A 15 5.732 -9.369 -1.506 1.00 0.00 C ATOM 190 OG SER A 15 6.121 -8.095 -1.988 1.00 0.00 O ATOM 0 H SER A 15 3.112 -7.727 -1.469 1.00 0.00 H new ATOM 0 HA SER A 15 3.996 -10.344 -0.717 1.00 0.00 H new ATOM 0 HB2 SER A 15 6.454 -9.717 -0.767 1.00 0.00 H new ATOM 0 HB3 SER A 15 5.742 -10.089 -2.324 1.00 0.00 H new ATOM 0 HG SER A 15 6.283 -8.146 -2.953 1.00 0.00 H new ATOM 196 N HIS A 16 3.195 -8.466 1.082 1.00 0.00 N ATOM 197 CA HIS A 16 3.079 -7.810 2.381 1.00 0.00 C ATOM 198 C HIS A 16 3.848 -6.498 2.379 1.00 0.00 C ATOM 199 O HIS A 16 4.617 -6.206 3.295 1.00 0.00 O ATOM 200 CB HIS A 16 3.607 -8.722 3.486 1.00 0.00 C ATOM 201 CG HIS A 16 2.909 -10.040 3.557 1.00 0.00 C ATOM 202 ND1 HIS A 16 1.585 -10.176 3.910 1.00 0.00 N ATOM 203 CD2 HIS A 16 3.360 -11.289 3.309 1.00 0.00 C ATOM 204 CE1 HIS A 16 1.253 -11.453 3.878 1.00 0.00 C ATOM 205 NE2 HIS A 16 2.312 -12.147 3.516 1.00 0.00 N ATOM 0 H HIS A 16 2.310 -8.793 0.695 1.00 0.00 H new ATOM 0 HA HIS A 16 2.026 -7.602 2.570 1.00 0.00 H new ATOM 0 HB2 HIS A 16 4.672 -8.892 3.327 1.00 0.00 H new ATOM 0 HB3 HIS A 16 3.505 -8.214 4.445 1.00 0.00 H new ATOM 0 HD2 HIS A 16 4.360 -11.561 3.004 1.00 0.00 H new ATOM 0 HE1 HIS A 16 0.279 -11.859 4.109 1.00 0.00 H new ATOM 0 HE2 HIS A 16 2.347 -13.161 3.407 1.00 0.00 H new ATOM 214 N LEU A 17 3.643 -5.720 1.333 1.00 0.00 N ATOM 215 CA LEU A 17 4.317 -4.441 1.180 1.00 0.00 C ATOM 216 C LEU A 17 3.945 -3.494 2.319 1.00 0.00 C ATOM 217 O LEU A 17 2.821 -3.528 2.823 1.00 0.00 O ATOM 218 CB LEU A 17 3.952 -3.807 -0.161 1.00 0.00 C ATOM 219 CG LEU A 17 3.866 -4.769 -1.345 1.00 0.00 C ATOM 220 CD1 LEU A 17 3.488 -4.013 -2.609 1.00 0.00 C ATOM 221 CD2 LEU A 17 5.176 -5.520 -1.528 1.00 0.00 C ATOM 0 H LEU A 17 3.009 -5.953 0.569 1.00 0.00 H new ATOM 0 HA LEU A 17 5.392 -4.618 1.211 1.00 0.00 H new ATOM 0 HB2 LEU A 17 2.991 -3.303 -0.055 1.00 0.00 H new ATOM 0 HB3 LEU A 17 4.690 -3.039 -0.393 1.00 0.00 H new ATOM 0 HG LEU A 17 3.088 -5.505 -1.140 1.00 0.00 H new ATOM 0 HD11 LEU A 17 3.430 -4.709 -3.446 1.00 0.00 H new ATOM 0 HD12 LEU A 17 2.520 -3.532 -2.469 1.00 0.00 H new ATOM 0 HD13 LEU A 17 4.243 -3.255 -2.819 1.00 0.00 H new ATOM 0 HD21 LEU A 17 5.091 -6.199 -2.377 1.00 0.00 H new ATOM 0 HD22 LEU A 17 5.981 -4.808 -1.712 1.00 0.00 H new ATOM 0 HD23 LEU A 17 5.397 -6.092 -0.627 1.00 0.00 H new ATOM 233 N ILE A 18 4.889 -2.656 2.720 1.00 0.00 N ATOM 234 CA ILE A 18 4.655 -1.701 3.794 1.00 0.00 C ATOM 235 C ILE A 18 3.480 -0.795 3.457 1.00 0.00 C ATOM 236 O ILE A 18 3.381 -0.284 2.341 1.00 0.00 O ATOM 237 CB ILE A 18 5.902 -0.829 4.059 1.00 0.00 C ATOM 238 CG1 ILE A 18 7.084 -1.706 4.479 1.00 0.00 C ATOM 239 CG2 ILE A 18 5.604 0.219 5.126 1.00 0.00 C ATOM 240 CD1 ILE A 18 8.369 -0.935 4.692 1.00 0.00 C ATOM 0 H ILE A 18 5.826 -2.617 2.318 1.00 0.00 H new ATOM 0 HA ILE A 18 4.432 -2.276 4.692 1.00 0.00 H new ATOM 0 HB ILE A 18 6.167 -0.312 3.137 1.00 0.00 H new ATOM 0 HG12 ILE A 18 6.828 -2.229 5.400 1.00 0.00 H new ATOM 0 HG13 ILE A 18 7.249 -2.467 3.716 1.00 0.00 H new ATOM 0 HG21 ILE A 18 6.494 0.824 5.300 1.00 0.00 H new ATOM 0 HG22 ILE A 18 4.789 0.860 4.789 1.00 0.00 H new ATOM 0 HG23 ILE A 18 5.316 -0.277 6.053 1.00 0.00 H new ATOM 0 HD11 ILE A 18 9.161 -1.623 4.988 1.00 0.00 H new ATOM 0 HD12 ILE A 18 8.650 -0.434 3.766 1.00 0.00 H new ATOM 0 HD13 ILE A 18 8.222 -0.192 5.476 1.00 0.00 H new ATOM 252 N LYS A 19 2.596 -0.592 4.420 1.00 0.00 N ATOM 253 CA LYS A 19 1.438 0.261 4.217 1.00 0.00 C ATOM 254 C LYS A 19 1.878 1.714 4.037 1.00 0.00 C ATOM 255 O LYS A 19 2.553 2.278 4.900 1.00 0.00 O ATOM 256 CB LYS A 19 0.477 0.129 5.400 1.00 0.00 C ATOM 257 CG LYS A 19 -0.578 1.221 5.476 1.00 0.00 C ATOM 258 CD LYS A 19 -1.293 1.222 6.822 1.00 0.00 C ATOM 259 CE LYS A 19 -0.441 1.841 7.928 1.00 0.00 C ATOM 260 NZ LYS A 19 0.798 1.065 8.209 1.00 0.00 N ATOM 0 H LYS A 19 2.659 -1.007 5.350 1.00 0.00 H new ATOM 0 HA LYS A 19 0.918 -0.054 3.312 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -0.022 -0.838 5.341 1.00 0.00 H new ATOM 0 HB3 LYS A 19 1.055 0.134 6.324 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -0.110 2.191 5.312 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -1.306 1.080 4.677 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -2.228 1.775 6.734 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -1.552 0.199 7.095 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -0.170 2.858 7.645 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -1.034 1.911 8.840 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 1.070 1.194 9.205 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 0.625 0.056 8.025 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 1.566 1.402 7.594 1.00 0.00 H new ATOM 274 N VAL A 20 1.495 2.310 2.915 1.00 0.00 N ATOM 275 CA VAL A 20 1.850 3.691 2.613 1.00 0.00 C ATOM 276 C VAL A 20 0.629 4.490 2.157 1.00 0.00 C ATOM 277 O VAL A 20 0.734 5.376 1.309 1.00 0.00 O ATOM 278 CB VAL A 20 2.942 3.756 1.522 1.00 0.00 C ATOM 279 CG1 VAL A 20 4.225 3.090 2.004 1.00 0.00 C ATOM 280 CG2 VAL A 20 2.453 3.114 0.227 1.00 0.00 C ATOM 0 H VAL A 20 0.935 1.855 2.194 1.00 0.00 H new ATOM 0 HA VAL A 20 2.237 4.132 3.532 1.00 0.00 H new ATOM 0 HB VAL A 20 3.158 4.805 1.319 1.00 0.00 H new ATOM 0 HG11 VAL A 20 4.981 3.147 1.221 1.00 0.00 H new ATOM 0 HG12 VAL A 20 4.587 3.601 2.896 1.00 0.00 H new ATOM 0 HG13 VAL A 20 4.026 2.045 2.241 1.00 0.00 H new ATOM 0 HG21 VAL A 20 3.238 3.171 -0.527 1.00 0.00 H new ATOM 0 HG22 VAL A 20 2.202 2.069 0.411 1.00 0.00 H new ATOM 0 HG23 VAL A 20 1.569 3.642 -0.130 1.00 0.00 H new ATOM 290 N GLY A 21 -0.525 4.182 2.731 1.00 0.00 N ATOM 291 CA GLY A 21 -1.750 4.886 2.382 1.00 0.00 C ATOM 292 C GLY A 21 -2.976 4.066 2.720 1.00 0.00 C ATOM 293 O GLY A 21 -2.891 3.135 3.522 1.00 0.00 O ATOM 0 H GLY A 21 -0.639 3.454 3.436 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -1.789 5.837 2.914 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -1.748 5.117 1.317 1.00 0.00 H new ATOM 297 N SER A 22 -4.115 4.375 2.103 1.00 0.00 N ATOM 298 CA SER A 22 -5.329 3.617 2.366 1.00 0.00 C ATOM 299 C SER A 22 -6.528 4.080 1.542 1.00 0.00 C ATOM 300 O SER A 22 -6.824 5.274 1.446 1.00 0.00 O ATOM 301 CB SER A 22 -5.673 3.687 3.855 1.00 0.00 C ATOM 302 OG SER A 22 -5.543 5.013 4.350 1.00 0.00 O ATOM 0 H SER A 22 -4.219 5.133 1.429 1.00 0.00 H new ATOM 0 HA SER A 22 -5.121 2.590 2.067 1.00 0.00 H new ATOM 0 HB2 SER A 22 -6.693 3.335 4.012 1.00 0.00 H new ATOM 0 HB3 SER A 22 -5.016 3.021 4.415 1.00 0.00 H new ATOM 0 HG SER A 22 -5.770 5.030 5.303 1.00 0.00 H new ATOM 308 N CYS A 23 -7.236 3.098 1.006 1.00 0.00 N ATOM 309 CA CYS A 23 -8.457 3.312 0.240 1.00 0.00 C ATOM 310 C CYS A 23 -9.637 3.041 1.167 1.00 0.00 C ATOM 311 O CYS A 23 -9.494 2.290 2.138 1.00 0.00 O ATOM 312 CB CYS A 23 -8.533 2.360 -0.965 1.00 0.00 C ATOM 313 SG CYS A 23 -7.751 2.954 -2.500 1.00 0.00 S ATOM 0 H CYS A 23 -6.976 2.115 1.091 1.00 0.00 H new ATOM 0 HA CYS A 23 -8.473 4.334 -0.139 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -8.068 1.414 -0.686 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -9.582 2.151 -1.172 1.00 0.00 H new ATOM 318 N PHE A 24 -10.789 3.629 0.884 1.00 0.00 N ATOM 319 CA PHE A 24 -11.960 3.406 1.717 1.00 0.00 C ATOM 320 C PHE A 24 -12.143 1.910 1.956 1.00 0.00 C ATOM 321 O PHE A 24 -11.849 1.095 1.078 1.00 0.00 O ATOM 322 CB PHE A 24 -13.215 3.991 1.064 1.00 0.00 C ATOM 323 CG PHE A 24 -14.457 3.845 1.902 1.00 0.00 C ATOM 324 CD1 PHE A 24 -14.437 4.143 3.256 1.00 0.00 C ATOM 325 CD2 PHE A 24 -15.644 3.407 1.335 1.00 0.00 C ATOM 326 CE1 PHE A 24 -15.577 4.009 4.026 1.00 0.00 C ATOM 327 CE2 PHE A 24 -16.785 3.270 2.101 1.00 0.00 C ATOM 328 CZ PHE A 24 -16.752 3.571 3.449 1.00 0.00 C ATOM 0 H PHE A 24 -10.938 4.257 0.094 1.00 0.00 H new ATOM 0 HA PHE A 24 -11.808 3.910 2.671 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -13.048 5.048 0.859 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -13.376 3.502 0.103 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -13.520 4.484 3.714 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -15.677 3.170 0.282 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -15.548 4.247 5.079 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -17.703 2.928 1.646 1.00 0.00 H new ATOM 0 HZ PHE A 24 -17.643 3.464 4.050 1.00 0.00 H new ATOM 338 N GLY A 25 -12.609 1.552 3.143 1.00 0.00 N ATOM 339 CA GLY A 25 -12.803 0.155 3.473 1.00 0.00 C ATOM 340 C GLY A 25 -11.528 -0.486 3.981 1.00 0.00 C ATOM 341 O GLY A 25 -11.195 -1.616 3.621 1.00 0.00 O ATOM 0 H GLY A 25 -12.857 2.206 3.886 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -13.582 0.065 4.231 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -13.153 -0.381 2.591 1.00 0.00 H new ATOM 345 N PHE A 26 -10.814 0.247 4.824 1.00 0.00 N ATOM 346 CA PHE A 26 -9.563 -0.227 5.405 1.00 0.00 C ATOM 347 C PHE A 26 -8.655 -0.818 4.333 1.00 0.00 C ATOM 348 O PHE A 26 -7.863 -1.726 4.599 1.00 0.00 O ATOM 349 CB PHE A 26 -9.839 -1.265 6.497 1.00 0.00 C ATOM 350 CG PHE A 26 -8.604 -1.710 7.236 1.00 0.00 C ATOM 351 CD1 PHE A 26 -7.673 -0.783 7.676 1.00 0.00 C ATOM 352 CD2 PHE A 26 -8.377 -3.053 7.488 1.00 0.00 C ATOM 353 CE1 PHE A 26 -6.538 -1.186 8.353 1.00 0.00 C ATOM 354 CE2 PHE A 26 -7.245 -3.461 8.165 1.00 0.00 C ATOM 355 CZ PHE A 26 -6.324 -2.527 8.598 1.00 0.00 C ATOM 0 H PHE A 26 -11.083 1.184 5.124 1.00 0.00 H new ATOM 0 HA PHE A 26 -9.054 0.626 5.853 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -10.549 -0.848 7.212 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -10.315 -2.136 6.046 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -7.837 0.268 7.487 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -9.093 -3.788 7.151 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -5.820 -0.453 8.690 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -7.080 -4.511 8.356 1.00 0.00 H new ATOM 0 HZ PHE A 26 -5.438 -2.846 9.127 1.00 0.00 H new ATOM 365 N ARG A 27 -8.758 -0.294 3.126 1.00 0.00 N ATOM 366 CA ARG A 27 -7.936 -0.756 2.020 1.00 0.00 C ATOM 367 C ARG A 27 -6.555 -0.122 2.120 1.00 0.00 C ATOM 368 O ARG A 27 -6.114 0.596 1.222 1.00 0.00 O ATOM 369 CB ARG A 27 -8.600 -0.425 0.683 1.00 0.00 C ATOM 370 CG ARG A 27 -9.803 -1.272 0.371 1.00 0.00 C ATOM 371 CD ARG A 27 -9.417 -2.722 0.213 1.00 0.00 C ATOM 372 NE ARG A 27 -10.580 -3.535 -0.077 1.00 0.00 N ATOM 373 CZ ARG A 27 -10.603 -4.865 -0.002 1.00 0.00 C ATOM 374 NH1 ARG A 27 -9.540 -5.525 0.440 1.00 0.00 N ATOM 375 NH2 ARG A 27 -11.700 -5.528 -0.339 1.00 0.00 N ATOM 0 H ARG A 27 -9.406 0.456 2.884 1.00 0.00 H new ATOM 0 HA ARG A 27 -7.830 -1.839 2.074 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -8.898 0.624 0.687 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -7.867 -0.545 -0.115 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -10.539 -1.173 1.169 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -10.275 -0.916 -0.544 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -8.687 -2.823 -0.590 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -8.938 -3.077 1.125 1.00 0.00 H new ATOM 0 HE ARG A 27 -11.437 -3.058 -0.357 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -8.704 -5.014 0.723 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -9.559 -6.543 0.497 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -12.526 -5.020 -0.656 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -11.718 -6.546 -0.282 1.00 0.00 H new ATOM 389 N SER A 28 -5.893 -0.379 3.237 1.00 0.00 N ATOM 390 CA SER A 28 -4.573 0.171 3.505 1.00 0.00 C ATOM 391 C SER A 28 -3.650 0.000 2.304 1.00 0.00 C ATOM 392 O SER A 28 -3.336 -1.116 1.899 1.00 0.00 O ATOM 393 CB SER A 28 -3.981 -0.515 4.733 1.00 0.00 C ATOM 394 OG SER A 28 -4.958 -0.630 5.755 1.00 0.00 O ATOM 0 H SER A 28 -6.255 -0.974 3.983 1.00 0.00 H new ATOM 0 HA SER A 28 -4.671 1.240 3.695 1.00 0.00 H new ATOM 0 HB2 SER A 28 -3.611 -1.504 4.462 1.00 0.00 H new ATOM 0 HB3 SER A 28 -3.127 0.055 5.100 1.00 0.00 H new ATOM 0 HG SER A 28 -4.710 -1.356 6.365 1.00 0.00 H new ATOM 400 N CYS A 29 -3.211 1.112 1.745 1.00 0.00 N ATOM 401 CA CYS A 29 -2.321 1.089 0.601 1.00 0.00 C ATOM 402 C CYS A 29 -0.960 0.587 1.039 1.00 0.00 C ATOM 403 O CYS A 29 -0.506 0.911 2.133 1.00 0.00 O ATOM 404 CB CYS A 29 -2.241 2.483 -0.021 1.00 0.00 C ATOM 405 SG CYS A 29 -3.886 3.235 -0.282 1.00 0.00 S ATOM 0 H CYS A 29 -3.458 2.048 2.067 1.00 0.00 H new ATOM 0 HA CYS A 29 -2.703 0.411 -0.162 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -1.648 3.131 0.625 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -1.719 2.421 -0.976 1.00 0.00 H new ATOM 410 N CYS A 30 -0.340 -0.237 0.212 1.00 0.00 N ATOM 411 CA CYS A 30 0.950 -0.824 0.535 1.00 0.00 C ATOM 412 C CYS A 30 1.911 -0.722 -0.646 1.00 0.00 C ATOM 413 O CYS A 30 1.496 -0.791 -1.805 1.00 0.00 O ATOM 414 CB CYS A 30 0.745 -2.282 0.955 1.00 0.00 C ATOM 415 SG CYS A 30 -0.281 -3.250 -0.205 1.00 0.00 S ATOM 0 H CYS A 30 -0.712 -0.517 -0.695 1.00 0.00 H new ATOM 0 HA CYS A 30 1.398 -0.273 1.361 1.00 0.00 H new ATOM 0 HB2 CYS A 30 1.719 -2.762 1.051 1.00 0.00 H new ATOM 0 HB3 CYS A 30 0.280 -2.304 1.941 1.00 0.00 H new ATOM 420 N LYS A 31 3.193 -0.543 -0.343 1.00 0.00 N ATOM 421 CA LYS A 31 4.226 -0.416 -1.360 1.00 0.00 C ATOM 422 C LYS A 31 5.506 -1.093 -0.899 1.00 0.00 C ATOM 423 O LYS A 31 5.836 -1.083 0.287 1.00 0.00 O ATOM 424 CB LYS A 31 4.490 1.055 -1.675 1.00 0.00 C ATOM 425 CG LYS A 31 5.621 1.293 -2.666 1.00 0.00 C ATOM 426 CD LYS A 31 6.861 1.857 -1.989 1.00 0.00 C ATOM 427 CE LYS A 31 6.658 3.300 -1.546 1.00 0.00 C ATOM 428 NZ LYS A 31 7.889 3.870 -0.943 1.00 0.00 N ATOM 0 H LYS A 31 3.542 -0.482 0.613 1.00 0.00 H new ATOM 0 HA LYS A 31 3.878 -0.907 -2.269 1.00 0.00 H new ATOM 0 HB2 LYS A 31 3.577 1.499 -2.071 1.00 0.00 H new ATOM 0 HB3 LYS A 31 4.721 1.577 -0.746 1.00 0.00 H new ATOM 0 HG2 LYS A 31 5.873 0.355 -3.161 1.00 0.00 H new ATOM 0 HG3 LYS A 31 5.285 1.982 -3.441 1.00 0.00 H new ATOM 0 HD2 LYS A 31 7.113 1.244 -1.124 1.00 0.00 H new ATOM 0 HD3 LYS A 31 7.706 1.803 -2.675 1.00 0.00 H new ATOM 0 HE2 LYS A 31 6.359 3.905 -2.402 1.00 0.00 H new ATOM 0 HE3 LYS A 31 5.844 3.347 -0.823 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 7.711 4.853 -0.654 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 8.160 3.308 -0.111 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 8.660 3.848 -1.641 1.00 0.00 H new ATOM 442 N TRP A 32 6.200 -1.701 -1.844 1.00 0.00 N ATOM 443 CA TRP A 32 7.437 -2.416 -1.556 1.00 0.00 C ATOM 444 C TRP A 32 8.383 -1.550 -0.729 1.00 0.00 C ATOM 445 O TRP A 32 8.557 -0.366 -1.015 1.00 0.00 O ATOM 446 CB TRP A 32 8.130 -2.842 -2.852 1.00 0.00 C ATOM 447 CG TRP A 32 7.249 -3.630 -3.772 1.00 0.00 C ATOM 448 CD1 TRP A 32 6.220 -3.155 -4.534 1.00 0.00 C ATOM 449 CD2 TRP A 32 7.311 -5.038 -4.016 1.00 0.00 C ATOM 450 NE1 TRP A 32 5.649 -4.180 -5.245 1.00 0.00 N ATOM 451 CE2 TRP A 32 6.300 -5.347 -4.944 1.00 0.00 C ATOM 452 CE3 TRP A 32 8.129 -6.066 -3.544 1.00 0.00 C ATOM 453 CZ2 TRP A 32 6.084 -6.642 -5.406 1.00 0.00 C ATOM 454 CZ3 TRP A 32 7.915 -7.351 -4.003 1.00 0.00 C ATOM 455 CH2 TRP A 32 6.900 -7.629 -4.927 1.00 0.00 C ATOM 0 H TRP A 32 5.927 -1.715 -2.827 1.00 0.00 H new ATOM 0 HA TRP A 32 7.181 -3.306 -0.982 1.00 0.00 H new ATOM 0 HB2 TRP A 32 8.484 -1.953 -3.374 1.00 0.00 H new ATOM 0 HB3 TRP A 32 9.009 -3.438 -2.605 1.00 0.00 H new ATOM 0 HD1 TRP A 32 5.902 -2.123 -4.571 1.00 0.00 H new ATOM 0 HE1 TRP A 32 4.867 -4.088 -5.893 1.00 0.00 H new ATOM 0 HE3 TRP A 32 8.915 -5.860 -2.833 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 5.301 -6.859 -6.117 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 8.541 -8.155 -3.643 1.00 0.00 H new ATOM 0 HH2 TRP A 32 6.759 -8.644 -5.268 1.00 0.00 H new ATOM 466 N PRO A 33 9.011 -2.124 0.307 1.00 0.00 N ATOM 467 CA PRO A 33 9.937 -1.381 1.161 1.00 0.00 C ATOM 468 C PRO A 33 11.030 -0.702 0.342 1.00 0.00 C ATOM 469 O PRO A 33 11.271 0.502 0.476 1.00 0.00 O ATOM 470 CB PRO A 33 10.534 -2.457 2.074 1.00 0.00 C ATOM 471 CG PRO A 33 9.526 -3.554 2.081 1.00 0.00 C ATOM 472 CD PRO A 33 8.873 -3.531 0.726 1.00 0.00 C ATOM 0 HA PRO A 33 9.442 -0.580 1.710 1.00 0.00 H new ATOM 0 HB2 PRO A 33 11.496 -2.806 1.697 1.00 0.00 H new ATOM 0 HB3 PRO A 33 10.706 -2.072 3.079 1.00 0.00 H new ATOM 0 HG2 PRO A 33 10.000 -4.517 2.269 1.00 0.00 H new ATOM 0 HG3 PRO A 33 8.790 -3.402 2.871 1.00 0.00 H new ATOM 0 HD2 PRO A 33 9.367 -4.208 0.030 1.00 0.00 H new ATOM 0 HD3 PRO A 33 7.827 -3.835 0.778 1.00 0.00 H new ATOM 480 N TRP A 34 11.679 -1.477 -0.516 1.00 0.00 N ATOM 481 CA TRP A 34 12.740 -0.957 -1.360 1.00 0.00 C ATOM 482 C TRP A 34 12.165 -0.281 -2.597 1.00 0.00 C ATOM 483 O TRP A 34 12.486 0.870 -2.891 1.00 0.00 O ATOM 484 CB TRP A 34 13.700 -2.073 -1.776 1.00 0.00 C ATOM 485 CG TRP A 34 14.210 -2.878 -0.632 1.00 0.00 C ATOM 486 CD1 TRP A 34 15.441 -2.780 -0.087 1.00 0.00 C ATOM 487 CD2 TRP A 34 13.527 -3.914 0.089 1.00 0.00 C ATOM 488 NE1 TRP A 34 15.575 -3.666 0.949 1.00 0.00 N ATOM 489 CE2 TRP A 34 14.414 -4.377 1.077 1.00 0.00 C ATOM 490 CE3 TRP A 34 12.254 -4.491 0.005 1.00 0.00 C ATOM 491 CZ2 TRP A 34 14.072 -5.383 1.973 1.00 0.00 C ATOM 492 CZ3 TRP A 34 11.919 -5.493 0.895 1.00 0.00 C ATOM 493 CH2 TRP A 34 12.824 -5.929 1.869 1.00 0.00 C ATOM 0 H TRP A 34 11.487 -2.470 -0.644 1.00 0.00 H new ATOM 0 HA TRP A 34 13.293 -0.217 -0.781 1.00 0.00 H new ATOM 0 HB2 TRP A 34 13.192 -2.735 -2.477 1.00 0.00 H new ATOM 0 HB3 TRP A 34 14.545 -1.635 -2.306 1.00 0.00 H new ATOM 0 HD1 TRP A 34 16.211 -2.100 -0.420 1.00 0.00 H new ATOM 0 HE1 TRP A 34 16.406 -3.777 1.530 1.00 0.00 H new ATOM 0 HE3 TRP A 34 11.547 -4.159 -0.741 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 14.769 -5.721 2.726 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 10.941 -5.948 0.838 1.00 0.00 H new ATOM 0 HH2 TRP A 34 12.530 -6.712 2.552 1.00 0.00 H new ATOM 504 N ASN A 35 11.323 -1.003 -3.327 1.00 0.00 N ATOM 505 CA ASN A 35 10.719 -0.469 -4.541 1.00 0.00 C ATOM 506 C ASN A 35 11.820 0.053 -5.459 1.00 0.00 C ATOM 507 O ASN A 35 11.741 1.155 -5.999 1.00 0.00 O ATOM 508 CB ASN A 35 9.718 0.647 -4.203 1.00 0.00 C ATOM 509 CG ASN A 35 8.882 1.084 -5.399 1.00 0.00 C ATOM 510 OD1 ASN A 35 9.397 1.597 -6.391 1.00 0.00 O ATOM 511 ND2 ASN A 35 7.576 0.887 -5.310 1.00 0.00 N ATOM 0 H ASN A 35 11.044 -1.957 -3.100 1.00 0.00 H new ATOM 0 HA ASN A 35 10.171 -1.262 -5.051 1.00 0.00 H new ATOM 0 HB2 ASN A 35 9.054 0.303 -3.410 1.00 0.00 H new ATOM 0 HB3 ASN A 35 10.261 1.508 -3.813 1.00 0.00 H new ATOM 0 HD21 ASN A 35 6.965 1.163 -6.079 1.00 0.00 H new ATOM 0 HD22 ASN A 35 7.181 0.459 -4.473 1.00 0.00 H new ATOM 518 N ALA A 36 12.864 -0.746 -5.607 1.00 0.00 N ATOM 519 CA ALA A 36 14.001 -0.382 -6.435 1.00 0.00 C ATOM 520 C ALA A 36 15.032 -1.498 -6.425 1.00 0.00 C ATOM 521 O ALA A 36 15.923 -1.499 -7.295 1.00 0.00 O ATOM 522 CB ALA A 36 14.624 0.918 -5.946 1.00 0.00 C ATOM 523 OXT ALA A 36 14.950 -2.373 -5.538 1.00 0.00 O ATOM 0 H ALA A 36 12.947 -1.659 -5.160 1.00 0.00 H new ATOM 0 HA ALA A 36 13.653 -0.233 -7.457 1.00 0.00 H new ATOM 0 HB1 ALA A 36 15.474 1.175 -6.578 1.00 0.00 H new ATOM 0 HB2 ALA A 36 13.883 1.716 -5.992 1.00 0.00 H new ATOM 0 HB3 ALA A 36 14.961 0.795 -4.917 1.00 0.00 H new TER 529 ALA A 36