USER MOD reduce.3.24.130724 H: found=0, std=0, add=261, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 261 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 GLY N :NH3+ -178:sc= 1.2 (180deg=1.2) USER MOD Single : A 7 ASN : amide:sc= 0.587 K(o=0.59,f=-1.1) USER MOD Single : A 9 ASN : amide:sc= -0.229 K(o=-0.23,f=-1.6!) USER MOD Single : A 12 HIS : no HD1:sc= -0.462 K(o=-0.46,f=-2.3!) USER MOD Single : A 14 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 17 SER OG : rot 65:sc= 0.973 USER MOD Single : A 21 LYS NZ :NH3+ -170:sc= 0.83 (180deg=0.641) USER MOD Single : A 32 THR OG1 : rot 180:sc= -0.0235 USER MOD Single : A 34 THR OG1 : rot -150:sc= -0.593 USER MOD Single : A 37 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00142) USER MOD Single : A 38 GLN : amide:sc= -0.105 X(o=-0.1,f=-0.33) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -9.290 1.375 -2.889 1.00 0.00 N ATOM 2 CA GLY A 1 -8.764 0.738 -1.655 1.00 0.00 C ATOM 3 C GLY A 1 -8.616 1.749 -0.546 1.00 0.00 C ATOM 4 O GLY A 1 -9.339 2.739 -0.533 1.00 0.00 O ATOM 0 H1 GLY A 1 -9.415 0.652 -3.627 1.00 0.00 H new ATOM 0 H2 GLY A 1 -10.206 1.823 -2.685 1.00 0.00 H new ATOM 0 H3 GLY A 1 -8.618 2.096 -3.221 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -9.436 -0.059 -1.338 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -7.798 0.277 -1.863 1.00 0.00 H new ATOM 10 N PHE A 2 -7.691 1.498 0.378 1.00 0.00 N ATOM 11 CA PHE A 2 -7.443 2.414 1.488 1.00 0.00 C ATOM 12 C PHE A 2 -7.124 3.809 0.955 1.00 0.00 C ATOM 13 O PHE A 2 -7.826 4.773 1.246 1.00 0.00 O ATOM 14 CB PHE A 2 -6.287 1.895 2.351 1.00 0.00 C ATOM 15 CG PHE A 2 -6.016 2.731 3.571 1.00 0.00 C ATOM 16 CD1 PHE A 2 -6.873 2.690 4.658 1.00 0.00 C ATOM 17 CD2 PHE A 2 -4.903 3.556 3.630 1.00 0.00 C ATOM 18 CE1 PHE A 2 -6.626 3.456 5.782 1.00 0.00 C ATOM 19 CE2 PHE A 2 -4.651 4.324 4.749 1.00 0.00 C ATOM 20 CZ PHE A 2 -5.514 4.274 5.828 1.00 0.00 C ATOM 0 H PHE A 2 -7.100 0.666 0.379 1.00 0.00 H new ATOM 0 HA PHE A 2 -8.339 2.473 2.105 1.00 0.00 H new ATOM 0 HB2 PHE A 2 -6.509 0.875 2.664 1.00 0.00 H new ATOM 0 HB3 PHE A 2 -5.383 1.853 1.743 1.00 0.00 H new ATOM 0 HD1 PHE A 2 -7.744 2.052 4.627 1.00 0.00 H new ATOM 0 HD2 PHE A 2 -4.225 3.598 2.790 1.00 0.00 H new ATOM 0 HE1 PHE A 2 -7.302 3.415 6.623 1.00 0.00 H new ATOM 0 HE2 PHE A 2 -3.781 4.963 4.782 1.00 0.00 H new ATOM 0 HZ PHE A 2 -5.319 4.873 6.705 1.00 0.00 H new ATOM 30 N GLY A 3 -6.063 3.897 0.168 1.00 0.00 N ATOM 31 CA GLY A 3 -5.677 5.163 -0.419 1.00 0.00 C ATOM 32 C GLY A 3 -5.795 5.127 -1.927 1.00 0.00 C ATOM 33 O GLY A 3 -6.430 5.989 -2.535 1.00 0.00 O ATOM 0 H GLY A 3 -5.460 3.111 -0.076 1.00 0.00 H new ATOM 0 HA2 GLY A 3 -6.308 5.958 -0.021 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -4.651 5.399 -0.138 1.00 0.00 H new ATOM 37 N CYS A 4 -5.175 4.116 -2.523 1.00 0.00 N ATOM 38 CA CYS A 4 -5.183 3.912 -3.965 1.00 0.00 C ATOM 39 C CYS A 4 -6.607 3.891 -4.524 1.00 0.00 C ATOM 40 O CYS A 4 -7.528 3.351 -3.891 1.00 0.00 O ATOM 41 CB CYS A 4 -4.484 2.590 -4.263 1.00 0.00 C ATOM 42 SG CYS A 4 -3.356 2.063 -2.930 1.00 0.00 S ATOM 0 H CYS A 4 -4.647 3.408 -2.013 1.00 0.00 H new ATOM 0 HA CYS A 4 -4.661 4.740 -4.445 1.00 0.00 H new ATOM 0 HB2 CYS A 4 -5.235 1.816 -4.423 1.00 0.00 H new ATOM 0 HB3 CYS A 4 -3.921 2.684 -5.192 1.00 0.00 H new ATOM 47 N PRO A 5 -6.807 4.448 -5.730 1.00 0.00 N ATOM 48 CA PRO A 5 -5.731 5.052 -6.526 1.00 0.00 C ATOM 49 C PRO A 5 -5.489 6.531 -6.214 1.00 0.00 C ATOM 50 O PRO A 5 -4.503 7.112 -6.660 1.00 0.00 O ATOM 51 CB PRO A 5 -6.255 4.893 -7.947 1.00 0.00 C ATOM 52 CG PRO A 5 -7.739 4.997 -7.820 1.00 0.00 C ATOM 53 CD PRO A 5 -8.098 4.505 -6.437 1.00 0.00 C ATOM 0 HA PRO A 5 -4.768 4.580 -6.330 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -5.859 5.668 -8.604 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -5.961 3.933 -8.372 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -8.067 6.027 -7.960 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -8.235 4.398 -8.584 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -8.794 5.181 -5.941 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -8.576 3.526 -6.474 1.00 0.00 H new ATOM 61 N PHE A 6 -6.390 7.131 -5.446 1.00 0.00 N ATOM 62 CA PHE A 6 -6.275 8.544 -5.091 1.00 0.00 C ATOM 63 C PHE A 6 -5.017 8.796 -4.269 1.00 0.00 C ATOM 64 O PHE A 6 -4.093 9.478 -4.710 1.00 0.00 O ATOM 65 CB PHE A 6 -7.511 9.001 -4.312 1.00 0.00 C ATOM 66 CG PHE A 6 -8.794 8.854 -5.079 1.00 0.00 C ATOM 67 CD1 PHE A 6 -9.155 9.788 -6.035 1.00 0.00 C ATOM 68 CD2 PHE A 6 -9.639 7.781 -4.843 1.00 0.00 C ATOM 69 CE1 PHE A 6 -10.334 9.656 -6.744 1.00 0.00 C ATOM 70 CE2 PHE A 6 -10.819 7.642 -5.548 1.00 0.00 C ATOM 71 CZ PHE A 6 -11.167 8.581 -6.500 1.00 0.00 C ATOM 0 H PHE A 6 -7.209 6.664 -5.056 1.00 0.00 H new ATOM 0 HA PHE A 6 -6.206 9.120 -6.014 1.00 0.00 H new ATOM 0 HB2 PHE A 6 -7.581 8.426 -3.389 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -7.385 10.046 -4.028 1.00 0.00 H new ATOM 0 HD1 PHE A 6 -8.507 10.630 -6.229 1.00 0.00 H new ATOM 0 HD2 PHE A 6 -9.372 7.045 -4.099 1.00 0.00 H new ATOM 0 HE1 PHE A 6 -10.604 10.392 -7.487 1.00 0.00 H new ATOM 0 HE2 PHE A 6 -11.468 6.801 -5.355 1.00 0.00 H new ATOM 0 HZ PHE A 6 -12.089 8.475 -7.053 1.00 0.00 H new ATOM 81 N ASN A 7 -4.976 8.220 -3.082 1.00 0.00 N ATOM 82 CA ASN A 7 -3.834 8.375 -2.197 1.00 0.00 C ATOM 83 C ASN A 7 -2.894 7.188 -2.350 1.00 0.00 C ATOM 84 O ASN A 7 -2.409 6.626 -1.368 1.00 0.00 O ATOM 85 CB ASN A 7 -4.294 8.505 -0.739 1.00 0.00 C ATOM 86 CG ASN A 7 -4.802 9.895 -0.403 1.00 0.00 C ATOM 87 OD1 ASN A 7 -5.305 10.614 -1.266 1.00 0.00 O ATOM 88 ND2 ASN A 7 -4.681 10.281 0.857 1.00 0.00 N ATOM 0 H ASN A 7 -5.724 7.637 -2.706 1.00 0.00 H new ATOM 0 HA ASN A 7 -3.302 9.286 -2.470 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -5.083 7.778 -0.546 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -3.464 8.257 -0.078 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -5.010 11.203 1.142 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -4.258 9.656 1.543 1.00 0.00 H new ATOM 95 N GLU A 8 -2.642 6.806 -3.597 1.00 0.00 N ATOM 96 CA GLU A 8 -1.764 5.681 -3.893 1.00 0.00 C ATOM 97 C GLU A 8 -0.354 5.967 -3.392 1.00 0.00 C ATOM 98 O GLU A 8 0.286 5.114 -2.775 1.00 0.00 O ATOM 99 CB GLU A 8 -1.751 5.398 -5.395 1.00 0.00 C ATOM 100 CG GLU A 8 -1.245 4.010 -5.747 1.00 0.00 C ATOM 101 CD GLU A 8 -1.985 3.405 -6.921 1.00 0.00 C ATOM 102 OE1 GLU A 8 -3.232 3.323 -6.855 1.00 0.00 O ATOM 103 OE2 GLU A 8 -1.326 3.015 -7.903 1.00 0.00 O ATOM 0 H GLU A 8 -3.035 7.261 -4.421 1.00 0.00 H new ATOM 0 HA GLU A 8 -2.142 4.797 -3.379 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -2.761 5.518 -5.788 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -1.126 6.140 -5.891 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -0.181 4.062 -5.980 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -1.350 3.358 -4.880 1.00 0.00 H new ATOM 110 N ASN A 9 0.112 7.186 -3.637 1.00 0.00 N ATOM 111 CA ASN A 9 1.443 7.598 -3.202 1.00 0.00 C ATOM 112 C ASN A 9 1.533 7.598 -1.684 1.00 0.00 C ATOM 113 O ASN A 9 2.581 7.298 -1.124 1.00 0.00 O ATOM 114 CB ASN A 9 1.793 8.984 -3.751 1.00 0.00 C ATOM 115 CG ASN A 9 2.493 8.913 -5.095 1.00 0.00 C ATOM 116 OD1 ASN A 9 3.202 7.953 -5.387 1.00 0.00 O ATOM 117 ND2 ASN A 9 2.303 9.932 -5.921 1.00 0.00 N ATOM 0 H ASN A 9 -0.411 7.907 -4.134 1.00 0.00 H new ATOM 0 HA ASN A 9 2.162 6.880 -3.596 1.00 0.00 H new ATOM 0 HB2 ASN A 9 0.882 9.574 -3.850 1.00 0.00 H new ATOM 0 HB3 ASN A 9 2.433 9.503 -3.038 1.00 0.00 H new ATOM 0 HD21 ASN A 9 2.753 9.937 -6.836 1.00 0.00 H new ATOM 0 HD22 ASN A 9 1.707 10.711 -5.641 1.00 0.00 H new ATOM 124 N GLU A 10 0.425 7.917 -1.023 1.00 0.00 N ATOM 125 CA GLU A 10 0.381 7.938 0.436 1.00 0.00 C ATOM 126 C GLU A 10 0.473 6.516 0.968 1.00 0.00 C ATOM 127 O GLU A 10 1.211 6.239 1.910 1.00 0.00 O ATOM 128 CB GLU A 10 -0.905 8.609 0.919 1.00 0.00 C ATOM 129 CG GLU A 10 -1.058 8.632 2.429 1.00 0.00 C ATOM 130 CD GLU A 10 -2.410 9.159 2.858 1.00 0.00 C ATOM 131 OE1 GLU A 10 -3.431 8.543 2.486 1.00 0.00 O ATOM 132 OE2 GLU A 10 -2.454 10.192 3.553 1.00 0.00 O ATOM 0 H GLU A 10 -0.456 8.165 -1.474 1.00 0.00 H new ATOM 0 HA GLU A 10 1.227 8.513 0.812 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -0.931 9.633 0.546 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -1.759 8.089 0.485 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -0.921 7.624 2.822 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -0.274 9.252 2.863 1.00 0.00 H new ATOM 139 N CYS A 11 -0.273 5.618 0.347 1.00 0.00 N ATOM 140 CA CYS A 11 -0.259 4.214 0.724 1.00 0.00 C ATOM 141 C CYS A 11 1.143 3.652 0.510 1.00 0.00 C ATOM 142 O CYS A 11 1.691 2.942 1.365 1.00 0.00 O ATOM 143 CB CYS A 11 -1.294 3.453 -0.107 1.00 0.00 C ATOM 144 SG CYS A 11 -1.356 1.666 0.210 1.00 0.00 S ATOM 0 H CYS A 11 -0.901 5.838 -0.426 1.00 0.00 H new ATOM 0 HA CYS A 11 -0.519 4.102 1.777 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -2.279 3.877 0.087 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -1.081 3.614 -1.164 1.00 0.00 H new ATOM 149 N HIS A 12 1.731 4.009 -0.628 1.00 0.00 N ATOM 150 CA HIS A 12 3.077 3.581 -0.961 1.00 0.00 C ATOM 151 C HIS A 12 4.058 4.172 0.047 1.00 0.00 C ATOM 152 O HIS A 12 4.964 3.485 0.519 1.00 0.00 O ATOM 153 CB HIS A 12 3.440 4.019 -2.385 1.00 0.00 C ATOM 154 CG HIS A 12 4.649 3.330 -2.944 1.00 0.00 C ATOM 155 ND1 HIS A 12 4.617 2.546 -4.077 1.00 0.00 N ATOM 156 CD2 HIS A 12 5.931 3.314 -2.518 1.00 0.00 C ATOM 157 CE1 HIS A 12 5.830 2.078 -4.320 1.00 0.00 C ATOM 158 NE2 HIS A 12 6.647 2.528 -3.387 1.00 0.00 N ATOM 0 H HIS A 12 1.290 4.597 -1.335 1.00 0.00 H new ATOM 0 HA HIS A 12 3.131 2.493 -0.918 1.00 0.00 H new ATOM 0 HB2 HIS A 12 2.590 3.829 -3.041 1.00 0.00 H new ATOM 0 HB3 HIS A 12 3.612 5.095 -2.391 1.00 0.00 H new ATOM 0 HD2 HIS A 12 6.322 3.826 -1.651 1.00 0.00 H new ATOM 0 HE1 HIS A 12 6.105 1.436 -5.143 1.00 0.00 H new ATOM 0 HE2 HIS A 12 7.645 2.326 -3.322 1.00 0.00 H new ATOM 167 N ALA A 13 3.862 5.449 0.372 1.00 0.00 N ATOM 168 CA ALA A 13 4.706 6.139 1.339 1.00 0.00 C ATOM 169 C ALA A 13 4.570 5.482 2.700 1.00 0.00 C ATOM 170 O ALA A 13 5.546 5.348 3.432 1.00 0.00 O ATOM 171 CB ALA A 13 4.345 7.616 1.421 1.00 0.00 C ATOM 0 H ALA A 13 3.121 6.027 -0.024 1.00 0.00 H new ATOM 0 HA ALA A 13 5.743 6.066 1.010 1.00 0.00 H new ATOM 0 HB1 ALA A 13 4.989 8.108 2.150 1.00 0.00 H new ATOM 0 HB2 ALA A 13 4.482 8.079 0.444 1.00 0.00 H new ATOM 0 HB3 ALA A 13 3.304 7.720 1.728 1.00 0.00 H new ATOM 177 N HIS A 14 3.345 5.083 3.037 1.00 0.00 N ATOM 178 CA HIS A 14 3.084 4.397 4.294 1.00 0.00 C ATOM 179 C HIS A 14 3.968 3.170 4.393 1.00 0.00 C ATOM 180 O HIS A 14 4.713 3.010 5.357 1.00 0.00 O ATOM 181 CB HIS A 14 1.618 3.975 4.408 1.00 0.00 C ATOM 182 CG HIS A 14 1.320 3.219 5.670 1.00 0.00 C ATOM 183 ND1 HIS A 14 1.583 3.720 6.928 1.00 0.00 N ATOM 184 CD2 HIS A 14 0.817 1.976 5.861 1.00 0.00 C ATOM 185 CE1 HIS A 14 1.260 2.817 7.837 1.00 0.00 C ATOM 186 NE2 HIS A 14 0.791 1.751 7.216 1.00 0.00 N ATOM 0 H HIS A 14 2.520 5.225 2.455 1.00 0.00 H new ATOM 0 HA HIS A 14 3.304 5.088 5.108 1.00 0.00 H new ATOM 0 HB2 HIS A 14 0.986 4.862 4.365 1.00 0.00 H new ATOM 0 HB3 HIS A 14 1.356 3.356 3.550 1.00 0.00 H new ATOM 0 HD2 HIS A 14 0.496 1.290 5.091 1.00 0.00 H new ATOM 0 HE1 HIS A 14 1.362 2.932 8.906 1.00 0.00 H new ATOM 0 HE2 HIS A 14 0.462 0.898 7.669 1.00 0.00 H new ATOM 195 N CYS A 15 3.865 2.300 3.393 1.00 0.00 N ATOM 196 CA CYS A 15 4.690 1.089 3.358 1.00 0.00 C ATOM 197 C CYS A 15 6.168 1.469 3.469 1.00 0.00 C ATOM 198 O CYS A 15 6.937 0.842 4.197 1.00 0.00 O ATOM 199 CB CYS A 15 4.432 0.281 2.078 1.00 0.00 C ATOM 200 SG CYS A 15 3.228 -1.082 2.265 1.00 0.00 S ATOM 0 H CYS A 15 3.228 2.405 2.603 1.00 0.00 H new ATOM 0 HA CYS A 15 4.420 0.459 4.205 1.00 0.00 H new ATOM 0 HB2 CYS A 15 4.075 0.959 1.302 1.00 0.00 H new ATOM 0 HB3 CYS A 15 5.378 -0.133 1.729 1.00 0.00 H new ATOM 205 N LEU A 16 6.538 2.534 2.782 1.00 0.00 N ATOM 206 CA LEU A 16 7.910 3.033 2.803 1.00 0.00 C ATOM 207 C LEU A 16 8.336 3.406 4.223 1.00 0.00 C ATOM 208 O LEU A 16 9.487 3.213 4.611 1.00 0.00 O ATOM 209 CB LEU A 16 8.030 4.269 1.909 1.00 0.00 C ATOM 210 CG LEU A 16 8.222 3.999 0.415 1.00 0.00 C ATOM 211 CD1 LEU A 16 7.981 5.268 -0.387 1.00 0.00 C ATOM 212 CD2 LEU A 16 9.616 3.460 0.138 1.00 0.00 C ATOM 0 H LEU A 16 5.904 3.078 2.196 1.00 0.00 H new ATOM 0 HA LEU A 16 8.561 2.240 2.434 1.00 0.00 H new ATOM 0 HB2 LEU A 16 7.132 4.874 2.036 1.00 0.00 H new ATOM 0 HB3 LEU A 16 8.870 4.868 2.261 1.00 0.00 H new ATOM 0 HG LEU A 16 7.496 3.246 0.109 1.00 0.00 H new ATOM 0 HD11 LEU A 16 8.121 5.060 -1.448 1.00 0.00 H new ATOM 0 HD12 LEU A 16 6.963 5.618 -0.217 1.00 0.00 H new ATOM 0 HD13 LEU A 16 8.686 6.037 -0.072 1.00 0.00 H new ATOM 0 HD21 LEU A 16 9.729 3.276 -0.930 1.00 0.00 H new ATOM 0 HD22 LEU A 16 10.359 4.189 0.461 1.00 0.00 H new ATOM 0 HD23 LEU A 16 9.761 2.528 0.684 1.00 0.00 H new ATOM 224 N SER A 17 7.383 3.910 4.999 1.00 0.00 N ATOM 225 CA SER A 17 7.641 4.344 6.369 1.00 0.00 C ATOM 226 C SER A 17 7.980 3.178 7.299 1.00 0.00 C ATOM 227 O SER A 17 8.555 3.386 8.366 1.00 0.00 O ATOM 228 CB SER A 17 6.432 5.100 6.925 1.00 0.00 C ATOM 229 OG SER A 17 5.949 6.060 5.999 1.00 0.00 O ATOM 0 H SER A 17 6.415 4.029 4.700 1.00 0.00 H new ATOM 0 HA SER A 17 8.509 5.003 6.331 1.00 0.00 H new ATOM 0 HB2 SER A 17 5.638 4.393 7.165 1.00 0.00 H new ATOM 0 HB3 SER A 17 6.708 5.597 7.855 1.00 0.00 H new ATOM 0 HG SER A 17 5.604 5.603 5.204 1.00 0.00 H new ATOM 235 N ILE A 18 7.635 1.951 6.912 1.00 0.00 N ATOM 236 CA ILE A 18 7.927 0.811 7.769 1.00 0.00 C ATOM 237 C ILE A 18 9.173 0.071 7.296 1.00 0.00 C ATOM 238 O ILE A 18 9.505 -0.997 7.808 1.00 0.00 O ATOM 239 CB ILE A 18 6.738 -0.178 7.885 1.00 0.00 C ATOM 240 CG1 ILE A 18 5.778 -0.038 6.704 1.00 0.00 C ATOM 241 CG2 ILE A 18 5.994 0.052 9.194 1.00 0.00 C ATOM 242 CD1 ILE A 18 4.682 -1.084 6.681 1.00 0.00 C ATOM 0 H ILE A 18 7.166 1.727 6.035 1.00 0.00 H new ATOM 0 HA ILE A 18 8.108 1.221 8.763 1.00 0.00 H new ATOM 0 HB ILE A 18 7.141 -1.191 7.871 1.00 0.00 H new ATOM 0 HG12 ILE A 18 5.322 0.952 6.733 1.00 0.00 H new ATOM 0 HG13 ILE A 18 6.346 -0.100 5.776 1.00 0.00 H new ATOM 0 HG21 ILE A 18 5.161 -0.647 9.267 1.00 0.00 H new ATOM 0 HG22 ILE A 18 6.674 -0.105 10.031 1.00 0.00 H new ATOM 0 HG23 ILE A 18 5.614 1.073 9.222 1.00 0.00 H new ATOM 0 HD11 ILE A 18 4.041 -0.920 5.815 1.00 0.00 H new ATOM 0 HD12 ILE A 18 5.128 -2.077 6.620 1.00 0.00 H new ATOM 0 HD13 ILE A 18 4.088 -1.009 7.592 1.00 0.00 H new ATOM 254 N GLY A 19 9.868 0.652 6.324 1.00 0.00 N ATOM 255 CA GLY A 19 11.081 0.042 5.813 1.00 0.00 C ATOM 256 C GLY A 19 10.859 -0.713 4.518 1.00 0.00 C ATOM 257 O GLY A 19 11.767 -1.379 4.012 1.00 0.00 O ATOM 0 H GLY A 19 9.613 1.535 5.881 1.00 0.00 H new ATOM 0 HA2 GLY A 19 11.832 0.816 5.653 1.00 0.00 H new ATOM 0 HA3 GLY A 19 11.482 -0.641 6.562 1.00 0.00 H new ATOM 261 N ARG A 20 9.652 -0.625 3.983 1.00 0.00 N ATOM 262 CA ARG A 20 9.325 -1.303 2.737 1.00 0.00 C ATOM 263 C ARG A 20 9.671 -0.405 1.558 1.00 0.00 C ATOM 264 O ARG A 20 9.765 0.807 1.707 1.00 0.00 O ATOM 265 CB ARG A 20 7.843 -1.681 2.706 1.00 0.00 C ATOM 266 CG ARG A 20 7.315 -2.214 4.032 1.00 0.00 C ATOM 267 CD ARG A 20 7.672 -3.676 4.252 1.00 0.00 C ATOM 268 NE ARG A 20 9.077 -3.854 4.613 1.00 0.00 N ATOM 269 CZ ARG A 20 9.548 -3.707 5.847 1.00 0.00 C ATOM 270 NH1 ARG A 20 8.719 -3.415 6.842 1.00 0.00 N ATOM 271 NH2 ARG A 20 10.846 -3.855 6.084 1.00 0.00 N ATOM 0 H ARG A 20 8.883 -0.092 4.390 1.00 0.00 H new ATOM 0 HA ARG A 20 9.911 -2.220 2.668 1.00 0.00 H new ATOM 0 HB2 ARG A 20 7.261 -0.805 2.420 1.00 0.00 H new ATOM 0 HB3 ARG A 20 7.686 -2.435 1.934 1.00 0.00 H new ATOM 0 HG2 ARG A 20 7.721 -1.617 4.848 1.00 0.00 H new ATOM 0 HG3 ARG A 20 6.231 -2.099 4.061 1.00 0.00 H new ATOM 0 HD2 ARG A 20 7.041 -4.087 5.040 1.00 0.00 H new ATOM 0 HD3 ARG A 20 7.458 -4.241 3.345 1.00 0.00 H new ATOM 0 HE ARG A 20 9.734 -4.106 3.875 1.00 0.00 H new ATOM 0 HH11 ARG A 20 7.722 -3.304 6.659 1.00 0.00 H new ATOM 0 HH12 ARG A 20 9.079 -3.302 7.790 1.00 0.00 H new ATOM 0 HH21 ARG A 20 11.482 -4.081 5.319 1.00 0.00 H new ATOM 0 HH22 ARG A 20 11.208 -3.742 7.031 1.00 0.00 H new ATOM 285 N LYS A 21 9.870 -1.000 0.390 1.00 0.00 N ATOM 286 CA LYS A 21 10.219 -0.229 -0.802 1.00 0.00 C ATOM 287 C LYS A 21 9.012 -0.040 -1.703 1.00 0.00 C ATOM 288 O LYS A 21 8.856 0.987 -2.368 1.00 0.00 O ATOM 289 CB LYS A 21 11.349 -0.918 -1.569 1.00 0.00 C ATOM 290 CG LYS A 21 12.677 -0.906 -0.830 1.00 0.00 C ATOM 291 CD LYS A 21 13.407 -2.235 -0.959 1.00 0.00 C ATOM 292 CE LYS A 21 12.676 -3.348 -0.221 1.00 0.00 C ATOM 293 NZ LYS A 21 12.507 -3.040 1.227 1.00 0.00 N ATOM 0 H LYS A 21 9.797 -2.006 0.239 1.00 0.00 H new ATOM 0 HA LYS A 21 10.559 0.755 -0.480 1.00 0.00 H new ATOM 0 HB2 LYS A 21 11.064 -1.950 -1.771 1.00 0.00 H new ATOM 0 HB3 LYS A 21 11.475 -0.427 -2.534 1.00 0.00 H new ATOM 0 HG2 LYS A 21 13.305 -0.107 -1.224 1.00 0.00 H new ATOM 0 HG3 LYS A 21 12.505 -0.687 0.224 1.00 0.00 H new ATOM 0 HD2 LYS A 21 13.503 -2.498 -2.013 1.00 0.00 H new ATOM 0 HD3 LYS A 21 14.417 -2.136 -0.562 1.00 0.00 H new ATOM 0 HE2 LYS A 21 11.697 -3.503 -0.675 1.00 0.00 H new ATOM 0 HE3 LYS A 21 13.229 -4.281 -0.331 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 12.161 -3.886 1.724 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 13.422 -2.752 1.630 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 11.820 -2.267 1.340 1.00 0.00 H new ATOM 307 N PHE A 22 8.149 -1.032 -1.712 1.00 0.00 N ATOM 308 CA PHE A 22 6.952 -0.986 -2.531 1.00 0.00 C ATOM 309 C PHE A 22 5.730 -1.238 -1.672 1.00 0.00 C ATOM 310 O PHE A 22 5.839 -1.753 -0.562 1.00 0.00 O ATOM 311 CB PHE A 22 7.003 -2.023 -3.655 1.00 0.00 C ATOM 312 CG PHE A 22 8.368 -2.214 -4.260 1.00 0.00 C ATOM 313 CD1 PHE A 22 8.855 -1.318 -5.199 1.00 0.00 C ATOM 314 CD2 PHE A 22 9.160 -3.289 -3.891 1.00 0.00 C ATOM 315 CE1 PHE A 22 10.107 -1.493 -5.759 1.00 0.00 C ATOM 316 CE2 PHE A 22 10.412 -3.468 -4.446 1.00 0.00 C ATOM 317 CZ PHE A 22 10.886 -2.569 -5.382 1.00 0.00 C ATOM 0 H PHE A 22 8.252 -1.884 -1.161 1.00 0.00 H new ATOM 0 HA PHE A 22 6.894 0.005 -2.980 1.00 0.00 H new ATOM 0 HB2 PHE A 22 6.653 -2.980 -3.267 1.00 0.00 H new ATOM 0 HB3 PHE A 22 6.309 -1.725 -4.441 1.00 0.00 H new ATOM 0 HD1 PHE A 22 8.250 -0.474 -5.496 1.00 0.00 H new ATOM 0 HD2 PHE A 22 8.794 -3.995 -3.161 1.00 0.00 H new ATOM 0 HE1 PHE A 22 10.475 -0.789 -6.490 1.00 0.00 H new ATOM 0 HE2 PHE A 22 11.020 -4.310 -4.149 1.00 0.00 H new ATOM 0 HZ PHE A 22 11.864 -2.708 -5.818 1.00 0.00 H new ATOM 327 N GLY A 23 4.572 -0.891 -2.197 1.00 0.00 N ATOM 328 CA GLY A 23 3.343 -1.086 -1.466 1.00 0.00 C ATOM 329 C GLY A 23 2.188 -0.344 -2.085 1.00 0.00 C ATOM 330 O GLY A 23 2.369 0.742 -2.641 1.00 0.00 O ATOM 0 H GLY A 23 4.459 -0.475 -3.122 1.00 0.00 H new ATOM 0 HA2 GLY A 23 3.110 -2.150 -1.428 1.00 0.00 H new ATOM 0 HA3 GLY A 23 3.477 -0.752 -0.437 1.00 0.00 H new ATOM 334 N PHE A 24 1.016 -0.947 -2.011 1.00 0.00 N ATOM 335 CA PHE A 24 -0.205 -0.365 -2.542 1.00 0.00 C ATOM 336 C PHE A 24 -1.395 -1.058 -1.906 1.00 0.00 C ATOM 337 O PHE A 24 -1.227 -1.921 -1.054 1.00 0.00 O ATOM 338 CB PHE A 24 -0.273 -0.478 -4.072 1.00 0.00 C ATOM 339 CG PHE A 24 -0.116 -1.883 -4.596 1.00 0.00 C ATOM 340 CD1 PHE A 24 1.143 -2.405 -4.857 1.00 0.00 C ATOM 341 CD2 PHE A 24 -1.227 -2.678 -4.831 1.00 0.00 C ATOM 342 CE1 PHE A 24 1.289 -3.691 -5.339 1.00 0.00 C ATOM 343 CE2 PHE A 24 -1.087 -3.966 -5.313 1.00 0.00 C ATOM 344 CZ PHE A 24 0.173 -4.474 -5.567 1.00 0.00 C ATOM 0 H PHE A 24 0.882 -1.861 -1.578 1.00 0.00 H new ATOM 0 HA PHE A 24 -0.218 0.698 -2.300 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -1.229 -0.080 -4.412 1.00 0.00 H new ATOM 0 HB3 PHE A 24 0.506 0.149 -4.506 1.00 0.00 H new ATOM 0 HD1 PHE A 24 2.019 -1.798 -4.681 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -2.214 -2.286 -4.635 1.00 0.00 H new ATOM 0 HE1 PHE A 24 2.275 -4.085 -5.538 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -1.961 -4.575 -5.491 1.00 0.00 H new ATOM 0 HZ PHE A 24 0.285 -5.480 -5.943 1.00 0.00 H new ATOM 354 N CYS A 25 -2.587 -0.698 -2.323 1.00 0.00 N ATOM 355 CA CYS A 25 -3.786 -1.283 -1.759 1.00 0.00 C ATOM 356 C CYS A 25 -4.120 -2.618 -2.410 1.00 0.00 C ATOM 357 O CYS A 25 -4.414 -2.683 -3.603 1.00 0.00 O ATOM 358 CB CYS A 25 -4.961 -0.323 -1.920 1.00 0.00 C ATOM 359 SG CYS A 25 -4.588 1.399 -1.452 1.00 0.00 S ATOM 0 H CYS A 25 -2.754 -0.003 -3.051 1.00 0.00 H new ATOM 0 HA CYS A 25 -3.600 -1.462 -0.700 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -5.292 -0.342 -2.958 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -5.793 -0.680 -1.314 1.00 0.00 H new ATOM 364 N ALA A 26 -4.081 -3.670 -1.614 1.00 0.00 N ATOM 365 CA ALA A 26 -4.391 -5.006 -2.094 1.00 0.00 C ATOM 366 C ALA A 26 -5.374 -5.691 -1.151 1.00 0.00 C ATOM 367 O ALA A 26 -5.312 -5.508 0.064 1.00 0.00 O ATOM 368 CB ALA A 26 -3.119 -5.830 -2.237 1.00 0.00 C ATOM 0 H ALA A 26 -3.836 -3.625 -0.625 1.00 0.00 H new ATOM 0 HA ALA A 26 -4.856 -4.924 -3.077 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -3.370 -6.828 -2.597 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -2.449 -5.345 -2.948 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -2.625 -5.908 -1.268 1.00 0.00 H new ATOM 374 N GLY A 27 -6.299 -6.454 -1.717 1.00 0.00 N ATOM 375 CA GLY A 27 -7.278 -7.153 -0.908 1.00 0.00 C ATOM 376 C GLY A 27 -8.656 -7.147 -1.540 1.00 0.00 C ATOM 377 O GLY A 27 -8.957 -6.285 -2.367 1.00 0.00 O ATOM 0 H GLY A 27 -6.389 -6.602 -2.722 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -6.954 -8.183 -0.758 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -7.330 -6.689 0.077 1.00 0.00 H new ATOM 381 N PRO A 28 -9.515 -8.113 -1.180 1.00 0.00 N ATOM 382 CA PRO A 28 -10.871 -8.203 -1.721 1.00 0.00 C ATOM 383 C PRO A 28 -11.809 -7.167 -1.105 1.00 0.00 C ATOM 384 O PRO A 28 -12.060 -7.186 0.104 1.00 0.00 O ATOM 385 CB PRO A 28 -11.304 -9.620 -1.346 1.00 0.00 C ATOM 386 CG PRO A 28 -10.524 -9.951 -0.118 1.00 0.00 C ATOM 387 CD PRO A 28 -9.225 -9.194 -0.218 1.00 0.00 C ATOM 0 HA PRO A 28 -10.902 -8.006 -2.793 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -12.376 -9.668 -1.157 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -11.091 -10.324 -2.151 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -11.072 -9.663 0.779 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -10.343 -11.024 -0.051 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -8.920 -8.796 0.750 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -8.416 -9.834 -0.569 1.00 0.00 H new ATOM 395 N LEU A 29 -12.313 -6.265 -1.950 1.00 0.00 N ATOM 396 CA LEU A 29 -13.228 -5.196 -1.534 1.00 0.00 C ATOM 397 C LEU A 29 -12.504 -4.166 -0.670 1.00 0.00 C ATOM 398 O LEU A 29 -12.205 -3.060 -1.124 1.00 0.00 O ATOM 399 CB LEU A 29 -14.446 -5.761 -0.786 1.00 0.00 C ATOM 400 CG LEU A 29 -15.313 -6.732 -1.592 1.00 0.00 C ATOM 401 CD1 LEU A 29 -16.358 -7.381 -0.696 1.00 0.00 C ATOM 402 CD2 LEU A 29 -15.982 -6.014 -2.755 1.00 0.00 C ATOM 0 H LEU A 29 -12.098 -6.254 -2.947 1.00 0.00 H new ATOM 0 HA LEU A 29 -13.586 -4.701 -2.437 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -14.097 -6.271 0.112 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -15.069 -4.929 -0.458 1.00 0.00 H new ATOM 0 HG LEU A 29 -14.669 -7.513 -1.996 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -16.966 -8.068 -1.285 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -15.861 -7.930 0.104 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -16.997 -6.610 -0.265 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -16.594 -6.721 -3.316 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -16.613 -5.212 -2.373 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -15.219 -5.594 -3.411 1.00 0.00 H new ATOM 414 N ARG A 30 -12.204 -4.538 0.566 1.00 0.00 N ATOM 415 CA ARG A 30 -11.507 -3.653 1.484 1.00 0.00 C ATOM 416 C ARG A 30 -10.005 -3.776 1.271 1.00 0.00 C ATOM 417 O ARG A 30 -9.275 -4.253 2.139 1.00 0.00 O ATOM 418 CB ARG A 30 -11.871 -3.981 2.934 1.00 0.00 C ATOM 419 CG ARG A 30 -13.297 -3.607 3.303 1.00 0.00 C ATOM 420 CD ARG A 30 -13.551 -3.775 4.792 1.00 0.00 C ATOM 421 NE ARG A 30 -14.880 -3.302 5.180 1.00 0.00 N ATOM 422 CZ ARG A 30 -15.115 -2.516 6.234 1.00 0.00 C ATOM 423 NH1 ARG A 30 -14.106 -2.108 7.000 1.00 0.00 N ATOM 424 NH2 ARG A 30 -16.357 -2.138 6.519 1.00 0.00 N ATOM 0 H ARG A 30 -12.434 -5.452 0.956 1.00 0.00 H new ATOM 0 HA ARG A 30 -11.813 -2.626 1.284 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -11.729 -5.048 3.103 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -11.184 -3.459 3.599 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -13.489 -2.574 3.015 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -13.994 -4.229 2.742 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -13.448 -4.826 5.061 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -12.794 -3.227 5.353 1.00 0.00 H new ATOM 0 HE ARG A 30 -15.676 -3.590 4.611 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -13.152 -2.396 6.782 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -14.287 -1.508 7.805 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -17.132 -2.448 5.933 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -16.535 -1.538 7.324 1.00 0.00 H new ATOM 438 N ALA A 31 -9.562 -3.354 0.093 1.00 0.00 N ATOM 439 CA ALA A 31 -8.156 -3.411 -0.277 1.00 0.00 C ATOM 440 C ALA A 31 -7.311 -2.478 0.583 1.00 0.00 C ATOM 441 O ALA A 31 -7.175 -1.286 0.283 1.00 0.00 O ATOM 442 CB ALA A 31 -7.990 -3.070 -1.751 1.00 0.00 C ATOM 0 H ALA A 31 -10.167 -2.964 -0.630 1.00 0.00 H new ATOM 0 HA ALA A 31 -7.804 -4.428 -0.103 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -6.934 -3.115 -2.018 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -8.548 -3.785 -2.355 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -8.368 -2.065 -1.937 1.00 0.00 H new ATOM 448 N THR A 32 -6.755 -3.025 1.653 1.00 0.00 N ATOM 449 CA THR A 32 -5.908 -2.265 2.552 1.00 0.00 C ATOM 450 C THR A 32 -4.506 -2.165 1.957 1.00 0.00 C ATOM 451 O THR A 32 -4.234 -2.752 0.912 1.00 0.00 O ATOM 452 CB THR A 32 -5.848 -2.918 3.953 1.00 0.00 C ATOM 453 OG1 THR A 32 -5.218 -2.034 4.889 1.00 0.00 O ATOM 454 CG2 THR A 32 -5.094 -4.241 3.914 1.00 0.00 C ATOM 0 H THR A 32 -6.878 -4.002 1.919 1.00 0.00 H new ATOM 0 HA THR A 32 -6.331 -1.267 2.670 1.00 0.00 H new ATOM 0 HB THR A 32 -6.872 -3.113 4.271 1.00 0.00 H new ATOM 0 HG1 THR A 32 -5.188 -2.459 5.771 1.00 0.00 H new ATOM 0 HG21 THR A 32 -5.069 -4.675 4.913 1.00 0.00 H new ATOM 0 HG22 THR A 32 -5.598 -4.927 3.233 1.00 0.00 H new ATOM 0 HG23 THR A 32 -4.075 -4.069 3.568 1.00 0.00 H new ATOM 462 N CYS A 33 -3.619 -1.433 2.600 1.00 0.00 N ATOM 463 CA CYS A 33 -2.276 -1.291 2.075 1.00 0.00 C ATOM 464 C CYS A 33 -1.440 -2.522 2.342 1.00 0.00 C ATOM 465 O CYS A 33 -1.257 -2.949 3.481 1.00 0.00 O ATOM 466 CB CYS A 33 -1.563 -0.073 2.641 1.00 0.00 C ATOM 467 SG CYS A 33 -2.211 1.515 2.042 1.00 0.00 S ATOM 0 H CYS A 33 -3.798 -0.935 3.472 1.00 0.00 H new ATOM 0 HA CYS A 33 -2.388 -1.160 0.999 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -1.637 -0.096 3.728 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -0.504 -0.138 2.392 1.00 0.00 H new ATOM 472 N THR A 34 -0.952 -3.075 1.264 1.00 0.00 N ATOM 473 CA THR A 34 -0.100 -4.241 1.296 1.00 0.00 C ATOM 474 C THR A 34 1.198 -3.921 0.571 1.00 0.00 C ATOM 475 O THR A 34 1.189 -3.500 -0.590 1.00 0.00 O ATOM 476 CB THR A 34 -0.779 -5.450 0.633 1.00 0.00 C ATOM 477 OG1 THR A 34 -2.179 -5.444 0.937 1.00 0.00 O ATOM 478 CG2 THR A 34 -0.158 -6.754 1.110 1.00 0.00 C ATOM 0 H THR A 34 -1.136 -2.726 0.324 1.00 0.00 H new ATOM 0 HA THR A 34 0.099 -4.499 2.336 1.00 0.00 H new ATOM 0 HB THR A 34 -0.636 -5.375 -0.445 1.00 0.00 H new ATOM 0 HG1 THR A 34 -2.514 -6.365 0.955 1.00 0.00 H new ATOM 0 HG21 THR A 34 -0.657 -7.593 0.625 1.00 0.00 H new ATOM 0 HG22 THR A 34 0.902 -6.766 0.856 1.00 0.00 H new ATOM 0 HG23 THR A 34 -0.273 -6.838 2.191 1.00 0.00 H new ATOM 486 N CYS A 35 2.308 -4.084 1.262 1.00 0.00 N ATOM 487 CA CYS A 35 3.606 -3.797 0.682 1.00 0.00 C ATOM 488 C CYS A 35 3.940 -4.815 -0.409 1.00 0.00 C ATOM 489 O CYS A 35 3.665 -6.004 -0.264 1.00 0.00 O ATOM 490 CB CYS A 35 4.666 -3.762 1.777 1.00 0.00 C ATOM 491 SG CYS A 35 4.277 -2.597 3.135 1.00 0.00 S ATOM 0 H CYS A 35 2.338 -4.414 2.227 1.00 0.00 H new ATOM 0 HA CYS A 35 3.584 -2.815 0.209 1.00 0.00 H new ATOM 0 HB2 CYS A 35 4.782 -4.764 2.191 1.00 0.00 H new ATOM 0 HB3 CYS A 35 5.624 -3.486 1.336 1.00 0.00 H new ATOM 496 N GLY A 36 4.524 -4.326 -1.500 1.00 0.00 N ATOM 497 CA GLY A 36 4.849 -5.177 -2.636 1.00 0.00 C ATOM 498 C GLY A 36 5.882 -6.246 -2.340 1.00 0.00 C ATOM 499 O GLY A 36 5.563 -7.433 -2.306 1.00 0.00 O ATOM 0 H GLY A 36 4.781 -3.346 -1.619 1.00 0.00 H new ATOM 0 HA2 GLY A 36 3.936 -5.658 -2.987 1.00 0.00 H new ATOM 0 HA3 GLY A 36 5.214 -4.552 -3.451 1.00 0.00 H new ATOM 503 N LYS A 37 7.126 -5.835 -2.156 1.00 0.00 N ATOM 504 CA LYS A 37 8.201 -6.777 -1.879 1.00 0.00 C ATOM 505 C LYS A 37 8.923 -6.393 -0.602 1.00 0.00 C ATOM 506 O LYS A 37 10.152 -6.450 -0.526 1.00 0.00 O ATOM 507 CB LYS A 37 9.181 -6.836 -3.053 1.00 0.00 C ATOM 508 CG LYS A 37 8.624 -7.555 -4.272 1.00 0.00 C ATOM 509 CD LYS A 37 8.220 -8.984 -3.938 1.00 0.00 C ATOM 510 CE LYS A 37 7.440 -9.626 -5.073 1.00 0.00 C ATOM 511 NZ LYS A 37 8.272 -9.791 -6.297 1.00 0.00 N ATOM 0 H LYS A 37 7.417 -4.858 -2.193 1.00 0.00 H new ATOM 0 HA LYS A 37 7.766 -7.768 -1.746 1.00 0.00 H new ATOM 0 HB2 LYS A 37 9.459 -5.821 -3.335 1.00 0.00 H new ATOM 0 HB3 LYS A 37 10.093 -7.338 -2.730 1.00 0.00 H new ATOM 0 HG2 LYS A 37 7.760 -7.011 -4.654 1.00 0.00 H new ATOM 0 HG3 LYS A 37 9.372 -7.563 -5.065 1.00 0.00 H new ATOM 0 HD2 LYS A 37 9.112 -9.575 -3.729 1.00 0.00 H new ATOM 0 HD3 LYS A 37 7.615 -8.989 -3.032 1.00 0.00 H new ATOM 0 HE2 LYS A 37 7.069 -10.600 -4.753 1.00 0.00 H new ATOM 0 HE3 LYS A 37 6.569 -9.014 -5.306 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 7.707 -10.248 -7.042 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 8.592 -8.858 -6.628 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 9.099 -10.382 -6.078 1.00 0.00 H new ATOM 525 N GLN A 38 8.136 -6.002 0.392 1.00 0.00 N ATOM 526 CA GLN A 38 8.651 -5.594 1.691 1.00 0.00 C ATOM 527 C GLN A 38 9.686 -4.480 1.553 1.00 0.00 C ATOM 528 O GLN A 38 9.564 -3.658 0.616 1.00 0.00 O ATOM 529 CB GLN A 38 9.245 -6.798 2.432 1.00 0.00 C ATOM 530 CG GLN A 38 8.200 -7.813 2.873 1.00 0.00 C ATOM 531 CD GLN A 38 7.295 -7.282 3.969 1.00 0.00 C ATOM 532 OE1 GLN A 38 6.279 -6.643 3.703 1.00 0.00 O ATOM 533 NE2 GLN A 38 7.661 -7.544 5.216 1.00 0.00 N ATOM 534 OXT GLN A 38 10.599 -4.401 2.405 1.00 0.00 O ATOM 0 H GLN A 38 7.120 -5.959 0.319 1.00 0.00 H new ATOM 0 HA GLN A 38 7.819 -5.201 2.275 1.00 0.00 H new ATOM 0 HB2 GLN A 38 9.970 -7.292 1.785 1.00 0.00 H new ATOM 0 HB3 GLN A 38 9.789 -6.444 3.308 1.00 0.00 H new ATOM 0 HG2 GLN A 38 7.594 -8.101 2.014 1.00 0.00 H new ATOM 0 HG3 GLN A 38 8.701 -8.714 3.226 1.00 0.00 H new ATOM 0 HE21 GLN A 38 8.511 -8.078 5.397 1.00 0.00 H new ATOM 0 HE22 GLN A 38 7.092 -7.212 5.995 1.00 0.00 H new TER 543 GLN A 38