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+ 167:sc= 1.31 (180deg=1.19) USER MOD Single : A 7 ASN : amide:sc= 0.177 X(o=0.18,f=0) USER MOD Single : A 9 ASN : amide:sc=-0.00792 K(o=-0.0079,f=-0.58) USER MOD Single : A 12 HIS : no HD1:sc= -1.21 K(o=-1.2,f=-2.6) USER MOD Single : A 14 HIS : no HD1:sc= 0 X(o=0,f=-0.043) USER MOD Single : A 17 SER OG : rot 180:sc= 0.0171 USER MOD Single : A 21 LYS NZ :NH3+ 166:sc= 1.17 (180deg=0.847) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot -170:sc= -0.0318 USER MOD Single : A 37 LYS NZ :NH3+ 169:sc=-0.00335 (180deg=-0.15) USER MOD Single : A 38 GLN : amide:sc= -1.19 K(o=-1.2,f=-4.1!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -10.757 1.631 0.578 1.00 0.00 N ATOM 2 CA GLY A 1 -10.199 0.913 1.750 1.00 0.00 C ATOM 3 C GLY A 1 -9.423 1.843 2.646 1.00 0.00 C ATOM 4 O GLY A 1 -9.798 3.003 2.795 1.00 0.00 O ATOM 0 H1 GLY A 1 -11.092 0.941 -0.125 1.00 0.00 H new ATOM 0 H2 GLY A 1 -11.552 2.228 0.883 1.00 0.00 H new ATOM 0 H3 GLY A 1 -10.019 2.228 0.153 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -11.009 0.452 2.316 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -9.549 0.107 1.409 1.00 0.00 H new ATOM 10 N PHE A 2 -8.344 1.342 3.233 1.00 0.00 N ATOM 11 CA PHE A 2 -7.508 2.148 4.114 1.00 0.00 C ATOM 12 C PHE A 2 -6.813 3.236 3.307 1.00 0.00 C ATOM 13 O PHE A 2 -6.880 4.419 3.638 1.00 0.00 O ATOM 14 CB PHE A 2 -6.476 1.263 4.822 1.00 0.00 C ATOM 15 CG PHE A 2 -5.609 2.004 5.802 1.00 0.00 C ATOM 16 CD1 PHE A 2 -6.128 2.456 7.004 1.00 0.00 C ATOM 17 CD2 PHE A 2 -4.274 2.243 5.520 1.00 0.00 C ATOM 18 CE1 PHE A 2 -5.331 3.135 7.907 1.00 0.00 C ATOM 19 CE2 PHE A 2 -3.472 2.921 6.419 1.00 0.00 C ATOM 20 CZ PHE A 2 -4.002 3.368 7.614 1.00 0.00 C ATOM 0 H PHE A 2 -8.027 0.380 3.115 1.00 0.00 H new ATOM 0 HA PHE A 2 -8.135 2.617 4.872 1.00 0.00 H new ATOM 0 HB2 PHE A 2 -6.997 0.462 5.346 1.00 0.00 H new ATOM 0 HB3 PHE A 2 -5.840 0.792 4.072 1.00 0.00 H new ATOM 0 HD1 PHE A 2 -7.167 2.276 7.238 1.00 0.00 H new ATOM 0 HD2 PHE A 2 -3.855 1.896 4.587 1.00 0.00 H new ATOM 0 HE1 PHE A 2 -5.748 3.483 8.841 1.00 0.00 H new ATOM 0 HE2 PHE A 2 -2.433 3.101 6.187 1.00 0.00 H new ATOM 0 HZ PHE A 2 -3.378 3.899 8.318 1.00 0.00 H new ATOM 30 N GLY A 3 -6.152 2.823 2.238 1.00 0.00 N ATOM 31 CA GLY A 3 -5.472 3.768 1.386 1.00 0.00 C ATOM 32 C GLY A 3 -6.297 4.101 0.163 1.00 0.00 C ATOM 33 O GLY A 3 -7.087 5.045 0.173 1.00 0.00 O ATOM 0 H GLY A 3 -6.075 1.849 1.947 1.00 0.00 H new ATOM 0 HA2 GLY A 3 -5.263 4.680 1.945 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -4.511 3.356 1.078 1.00 0.00 H new ATOM 37 N CYS A 4 -6.126 3.307 -0.881 1.00 0.00 N ATOM 38 CA CYS A 4 -6.847 3.492 -2.133 1.00 0.00 C ATOM 39 C CYS A 4 -8.358 3.420 -1.916 1.00 0.00 C ATOM 40 O CYS A 4 -8.838 2.707 -1.026 1.00 0.00 O ATOM 41 CB CYS A 4 -6.413 2.417 -3.126 1.00 0.00 C ATOM 42 SG CYS A 4 -4.821 1.632 -2.707 1.00 0.00 S ATOM 0 H CYS A 4 -5.483 2.515 -0.886 1.00 0.00 H new ATOM 0 HA CYS A 4 -6.611 4.480 -2.528 1.00 0.00 H new ATOM 0 HB2 CYS A 4 -7.185 1.649 -3.177 1.00 0.00 H new ATOM 0 HB3 CYS A 4 -6.339 2.861 -4.119 1.00 0.00 H new ATOM 47 N PRO A 5 -9.139 4.149 -2.729 1.00 0.00 N ATOM 48 CA PRO A 5 -8.633 5.005 -3.804 1.00 0.00 C ATOM 49 C PRO A 5 -8.442 6.455 -3.375 1.00 0.00 C ATOM 50 O PRO A 5 -8.395 7.359 -4.206 1.00 0.00 O ATOM 51 CB PRO A 5 -9.752 4.937 -4.846 1.00 0.00 C ATOM 52 CG PRO A 5 -10.925 4.276 -4.176 1.00 0.00 C ATOM 53 CD PRO A 5 -10.596 4.173 -2.712 1.00 0.00 C ATOM 0 HA PRO A 5 -7.654 4.673 -4.149 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -10.017 5.935 -5.195 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -9.434 4.368 -5.719 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -11.834 4.859 -4.327 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -11.105 3.289 -4.601 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -10.983 5.020 -2.146 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -11.014 3.272 -2.263 1.00 0.00 H new ATOM 61 N PHE A 6 -8.360 6.673 -2.081 1.00 0.00 N ATOM 62 CA PHE A 6 -8.195 8.016 -1.546 1.00 0.00 C ATOM 63 C PHE A 6 -6.741 8.319 -1.204 1.00 0.00 C ATOM 64 O PHE A 6 -6.127 9.199 -1.799 1.00 0.00 O ATOM 65 CB PHE A 6 -9.072 8.203 -0.306 1.00 0.00 C ATOM 66 CG PHE A 6 -10.542 8.053 -0.581 1.00 0.00 C ATOM 67 CD1 PHE A 6 -11.243 9.056 -1.234 1.00 0.00 C ATOM 68 CD2 PHE A 6 -11.222 6.911 -0.190 1.00 0.00 C ATOM 69 CE1 PHE A 6 -12.594 8.921 -1.490 1.00 0.00 C ATOM 70 CE2 PHE A 6 -12.574 6.771 -0.443 1.00 0.00 C ATOM 71 CZ PHE A 6 -13.260 7.778 -1.094 1.00 0.00 C ATOM 0 H PHE A 6 -8.405 5.939 -1.374 1.00 0.00 H new ATOM 0 HA PHE A 6 -8.506 8.716 -2.322 1.00 0.00 H new ATOM 0 HB2 PHE A 6 -8.776 7.476 0.451 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -8.888 9.192 0.113 1.00 0.00 H new ATOM 0 HD1 PHE A 6 -10.727 9.952 -1.546 1.00 0.00 H new ATOM 0 HD2 PHE A 6 -10.690 6.121 0.318 1.00 0.00 H new ATOM 0 HE1 PHE A 6 -13.129 9.709 -1.999 1.00 0.00 H new ATOM 0 HE2 PHE A 6 -13.093 5.876 -0.132 1.00 0.00 H new ATOM 0 HZ PHE A 6 -14.316 7.671 -1.293 1.00 0.00 H new ATOM 81 N ASN A 7 -6.188 7.568 -0.262 1.00 0.00 N ATOM 82 CA ASN A 7 -4.815 7.788 0.180 1.00 0.00 C ATOM 83 C ASN A 7 -3.912 6.618 -0.201 1.00 0.00 C ATOM 84 O ASN A 7 -3.247 6.029 0.658 1.00 0.00 O ATOM 85 CB ASN A 7 -4.761 8.000 1.704 1.00 0.00 C ATOM 86 CG ASN A 7 -6.112 8.325 2.320 1.00 0.00 C ATOM 87 OD1 ASN A 7 -6.540 9.477 2.340 1.00 0.00 O ATOM 88 ND2 ASN A 7 -6.790 7.312 2.847 1.00 0.00 N ATOM 0 H ASN A 7 -6.667 6.802 0.211 1.00 0.00 H new ATOM 0 HA ASN A 7 -4.453 8.685 -0.323 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -4.363 7.100 2.174 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -4.065 8.809 1.926 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -7.696 7.478 3.286 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -6.405 6.368 2.813 1.00 0.00 H new ATOM 95 N GLU A 8 -3.879 6.267 -1.481 1.00 0.00 N ATOM 96 CA GLU A 8 -3.041 5.163 -1.924 1.00 0.00 C ATOM 97 C GLU A 8 -1.575 5.567 -1.961 1.00 0.00 C ATOM 98 O GLU A 8 -0.696 4.763 -1.644 1.00 0.00 O ATOM 99 CB GLU A 8 -3.486 4.620 -3.284 1.00 0.00 C ATOM 100 CG GLU A 8 -4.138 5.638 -4.204 1.00 0.00 C ATOM 101 CD GLU A 8 -4.896 4.960 -5.326 1.00 0.00 C ATOM 102 OE1 GLU A 8 -4.265 4.240 -6.125 1.00 0.00 O ATOM 103 OE2 GLU A 8 -6.132 5.104 -5.388 1.00 0.00 O ATOM 0 H GLU A 8 -4.414 6.724 -2.219 1.00 0.00 H new ATOM 0 HA GLU A 8 -3.157 4.361 -1.195 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -2.618 4.199 -3.791 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -4.187 3.802 -3.119 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -4.819 6.266 -3.630 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -3.375 6.294 -4.622 1.00 0.00 H new ATOM 110 N ASN A 9 -1.315 6.815 -2.321 1.00 0.00 N ATOM 111 CA ASN A 9 0.051 7.323 -2.372 1.00 0.00 C ATOM 112 C ASN A 9 0.601 7.408 -0.961 1.00 0.00 C ATOM 113 O ASN A 9 1.766 7.111 -0.711 1.00 0.00 O ATOM 114 CB ASN A 9 0.091 8.703 -3.030 1.00 0.00 C ATOM 115 CG ASN A 9 -0.115 8.642 -4.530 1.00 0.00 C ATOM 116 OD1 ASN A 9 0.420 7.768 -5.210 1.00 0.00 O ATOM 117 ND2 ASN A 9 -0.904 9.568 -5.054 1.00 0.00 N ATOM 0 H ASN A 9 -2.029 7.495 -2.582 1.00 0.00 H new ATOM 0 HA ASN A 9 0.661 6.644 -2.968 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -0.679 9.335 -2.587 1.00 0.00 H new ATOM 0 HB3 ASN A 9 1.051 9.174 -2.818 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -1.087 9.574 -6.057 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -1.328 10.275 -4.454 1.00 0.00 H new ATOM 124 N GLU A 10 -0.273 7.791 -0.044 1.00 0.00 N ATOM 125 CA GLU A 10 0.066 7.924 1.361 1.00 0.00 C ATOM 126 C GLU A 10 0.316 6.550 1.962 1.00 0.00 C ATOM 127 O GLU A 10 1.241 6.366 2.755 1.00 0.00 O ATOM 128 CB GLU A 10 -1.059 8.650 2.111 1.00 0.00 C ATOM 129 CG GLU A 10 -1.255 10.107 1.688 1.00 0.00 C ATOM 130 CD GLU A 10 -1.646 10.268 0.226 1.00 0.00 C ATOM 131 OE1 GLU A 10 -2.344 9.376 -0.311 1.00 0.00 O ATOM 132 OE2 GLU A 10 -1.231 11.267 -0.394 1.00 0.00 O ATOM 0 H GLU A 10 -1.244 8.020 -0.257 1.00 0.00 H new ATOM 0 HA GLU A 10 0.976 8.516 1.456 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -1.992 8.109 1.955 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -0.847 8.619 3.180 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -2.025 10.558 2.314 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -0.332 10.658 1.872 1.00 0.00 H new ATOM 139 N CYS A 11 -0.508 5.581 1.579 1.00 0.00 N ATOM 140 CA CYS A 11 -0.337 4.217 2.059 1.00 0.00 C ATOM 141 C CYS A 11 0.988 3.682 1.524 1.00 0.00 C ATOM 142 O CYS A 11 1.724 2.978 2.221 1.00 0.00 O ATOM 143 CB CYS A 11 -1.505 3.329 1.612 1.00 0.00 C ATOM 144 SG CYS A 11 -1.896 1.976 2.772 1.00 0.00 S ATOM 0 H CYS A 11 -1.294 5.714 0.943 1.00 0.00 H new ATOM 0 HA CYS A 11 -0.325 4.209 3.149 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -2.391 3.950 1.483 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -1.270 2.901 0.637 1.00 0.00 H new ATOM 149 N HIS A 12 1.299 4.062 0.286 1.00 0.00 N ATOM 150 CA HIS A 12 2.544 3.666 -0.356 1.00 0.00 C ATOM 151 C HIS A 12 3.712 4.355 0.343 1.00 0.00 C ATOM 152 O HIS A 12 4.745 3.739 0.596 1.00 0.00 O ATOM 153 CB HIS A 12 2.517 4.035 -1.847 1.00 0.00 C ATOM 154 CG HIS A 12 3.666 3.482 -2.642 1.00 0.00 C ATOM 155 ND1 HIS A 12 3.502 2.655 -3.732 1.00 0.00 N ATOM 156 CD2 HIS A 12 5.001 3.647 -2.500 1.00 0.00 C ATOM 157 CE1 HIS A 12 4.689 2.339 -4.223 1.00 0.00 C ATOM 158 NE2 HIS A 12 5.616 2.927 -3.492 1.00 0.00 N ATOM 0 H HIS A 12 0.698 4.648 -0.294 1.00 0.00 H new ATOM 0 HA HIS A 12 2.664 2.586 -0.276 1.00 0.00 H new ATOM 0 HB2 HIS A 12 1.584 3.676 -2.281 1.00 0.00 H new ATOM 0 HB3 HIS A 12 2.515 5.121 -1.941 1.00 0.00 H new ATOM 0 HD2 HIS A 12 5.493 4.239 -1.742 1.00 0.00 H new ATOM 0 HE1 HIS A 12 4.869 1.706 -5.079 1.00 0.00 H new ATOM 0 HE2 HIS A 12 6.623 2.858 -3.640 1.00 0.00 H new ATOM 167 N ALA A 13 3.537 5.641 0.645 1.00 0.00 N ATOM 168 CA ALA A 13 4.557 6.421 1.332 1.00 0.00 C ATOM 169 C ALA A 13 4.847 5.809 2.692 1.00 0.00 C ATOM 170 O ALA A 13 5.999 5.706 3.105 1.00 0.00 O ATOM 171 CB ALA A 13 4.118 7.871 1.478 1.00 0.00 C ATOM 0 H ALA A 13 2.691 6.165 0.421 1.00 0.00 H new ATOM 0 HA ALA A 13 5.470 6.405 0.738 1.00 0.00 H new ATOM 0 HB1 ALA A 13 4.894 8.436 1.994 1.00 0.00 H new ATOM 0 HB2 ALA A 13 3.951 8.302 0.491 1.00 0.00 H new ATOM 0 HB3 ALA A 13 3.194 7.915 2.054 1.00 0.00 H new ATOM 177 N HIS A 14 3.785 5.407 3.386 1.00 0.00 N ATOM 178 CA HIS A 14 3.926 4.764 4.685 1.00 0.00 C ATOM 179 C HIS A 14 4.739 3.491 4.529 1.00 0.00 C ATOM 180 O HIS A 14 5.652 3.221 5.304 1.00 0.00 O ATOM 181 CB HIS A 14 2.563 4.421 5.279 1.00 0.00 C ATOM 182 CG HIS A 14 2.648 3.843 6.661 1.00 0.00 C ATOM 183 ND1 HIS A 14 3.503 4.328 7.631 1.00 0.00 N ATOM 184 CD2 HIS A 14 2.001 2.795 7.225 1.00 0.00 C ATOM 185 CE1 HIS A 14 3.379 3.602 8.728 1.00 0.00 C ATOM 186 NE2 HIS A 14 2.474 2.667 8.507 1.00 0.00 N ATOM 0 H HIS A 14 2.821 5.516 3.070 1.00 0.00 H new ATOM 0 HA HIS A 14 4.432 5.456 5.359 1.00 0.00 H new ATOM 0 HB2 HIS A 14 1.949 5.321 5.306 1.00 0.00 H new ATOM 0 HB3 HIS A 14 2.058 3.710 4.625 1.00 0.00 H new ATOM 0 HD2 HIS A 14 1.252 2.176 6.754 1.00 0.00 H new ATOM 0 HE1 HIS A 14 3.925 3.749 9.648 1.00 0.00 H new ATOM 0 HE2 HIS A 14 2.174 1.962 9.181 1.00 0.00 H new ATOM 195 N CYS A 15 4.371 2.710 3.527 1.00 0.00 N ATOM 196 CA CYS A 15 5.068 1.465 3.217 1.00 0.00 C ATOM 197 C CYS A 15 6.557 1.744 3.013 1.00 0.00 C ATOM 198 O CYS A 15 7.423 1.013 3.494 1.00 0.00 O ATOM 199 CB CYS A 15 4.451 0.824 1.966 1.00 0.00 C ATOM 200 SG CYS A 15 5.176 -0.777 1.491 1.00 0.00 S ATOM 0 H CYS A 15 3.587 2.916 2.908 1.00 0.00 H new ATOM 0 HA CYS A 15 4.961 0.768 4.048 1.00 0.00 H new ATOM 0 HB2 CYS A 15 3.383 0.687 2.134 1.00 0.00 H new ATOM 0 HB3 CYS A 15 4.556 1.516 1.131 1.00 0.00 H new ATOM 205 N LEU A 16 6.836 2.844 2.340 1.00 0.00 N ATOM 206 CA LEU A 16 8.204 3.267 2.074 1.00 0.00 C ATOM 207 C LEU A 16 8.955 3.537 3.375 1.00 0.00 C ATOM 208 O LEU A 16 10.164 3.314 3.470 1.00 0.00 O ATOM 209 CB LEU A 16 8.195 4.538 1.228 1.00 0.00 C ATOM 210 CG LEU A 16 8.121 4.328 -0.285 1.00 0.00 C ATOM 211 CD1 LEU A 16 7.706 5.615 -0.980 1.00 0.00 C ATOM 212 CD2 LEU A 16 9.458 3.844 -0.824 1.00 0.00 C ATOM 0 H LEU A 16 6.125 3.470 1.962 1.00 0.00 H new ATOM 0 HA LEU A 16 8.710 2.465 1.537 1.00 0.00 H new ATOM 0 HB2 LEU A 16 7.346 5.149 1.533 1.00 0.00 H new ATOM 0 HB3 LEU A 16 9.096 5.109 1.453 1.00 0.00 H new ATOM 0 HG LEU A 16 7.370 3.565 -0.489 1.00 0.00 H new ATOM 0 HD11 LEU A 16 7.658 5.448 -2.056 1.00 0.00 H new ATOM 0 HD12 LEU A 16 6.726 5.925 -0.617 1.00 0.00 H new ATOM 0 HD13 LEU A 16 8.436 6.396 -0.766 1.00 0.00 H new ATOM 0 HD21 LEU A 16 9.385 3.700 -1.902 1.00 0.00 H new ATOM 0 HD22 LEU A 16 10.227 4.585 -0.608 1.00 0.00 H new ATOM 0 HD23 LEU A 16 9.721 2.899 -0.349 1.00 0.00 H new ATOM 224 N SER A 17 8.220 3.996 4.382 1.00 0.00 N ATOM 225 CA SER A 17 8.801 4.323 5.678 1.00 0.00 C ATOM 226 C SER A 17 9.260 3.077 6.438 1.00 0.00 C ATOM 227 O SER A 17 10.049 3.181 7.374 1.00 0.00 O ATOM 228 CB SER A 17 7.795 5.100 6.529 1.00 0.00 C ATOM 229 OG SER A 17 6.967 5.925 5.725 1.00 0.00 O ATOM 0 H SER A 17 7.213 4.151 4.324 1.00 0.00 H new ATOM 0 HA SER A 17 9.679 4.940 5.488 1.00 0.00 H new ATOM 0 HB2 SER A 17 7.177 4.402 7.094 1.00 0.00 H new ATOM 0 HB3 SER A 17 8.328 5.714 7.255 1.00 0.00 H new ATOM 0 HG SER A 17 6.333 6.408 6.296 1.00 0.00 H new ATOM 235 N ILE A 18 8.780 1.897 6.048 1.00 0.00 N ATOM 236 CA ILE A 18 9.181 0.681 6.743 1.00 0.00 C ATOM 237 C ILE A 18 10.255 -0.068 5.961 1.00 0.00 C ATOM 238 O ILE A 18 10.404 -1.283 6.087 1.00 0.00 O ATOM 239 CB ILE A 18 7.992 -0.261 7.059 1.00 0.00 C ATOM 240 CG1 ILE A 18 6.786 0.043 6.169 1.00 0.00 C ATOM 241 CG2 ILE A 18 7.607 -0.138 8.526 1.00 0.00 C ATOM 242 CD1 ILE A 18 5.660 -0.961 6.303 1.00 0.00 C ATOM 0 H ILE A 18 8.130 1.760 5.274 1.00 0.00 H new ATOM 0 HA ILE A 18 9.593 1.003 7.700 1.00 0.00 H new ATOM 0 HB ILE A 18 8.308 -1.284 6.854 1.00 0.00 H new ATOM 0 HG12 ILE A 18 6.407 1.035 6.413 1.00 0.00 H new ATOM 0 HG13 ILE A 18 7.112 0.073 5.129 1.00 0.00 H new ATOM 0 HG21 ILE A 18 6.771 -0.803 8.740 1.00 0.00 H new ATOM 0 HG22 ILE A 18 8.458 -0.413 9.150 1.00 0.00 H new ATOM 0 HG23 ILE A 18 7.317 0.890 8.741 1.00 0.00 H new ATOM 0 HD11 ILE A 18 4.841 -0.679 5.642 1.00 0.00 H new ATOM 0 HD12 ILE A 18 6.022 -1.952 6.030 1.00 0.00 H new ATOM 0 HD13 ILE A 18 5.306 -0.975 7.334 1.00 0.00 H new ATOM 254 N GLY A 19 10.993 0.668 5.138 1.00 0.00 N ATOM 255 CA GLY A 19 12.070 0.077 4.365 1.00 0.00 C ATOM 256 C GLY A 19 11.617 -0.516 3.046 1.00 0.00 C ATOM 257 O GLY A 19 12.445 -0.854 2.195 1.00 0.00 O ATOM 0 H GLY A 19 10.864 1.669 4.992 1.00 0.00 H new ATOM 0 HA2 GLY A 19 12.826 0.838 4.171 1.00 0.00 H new ATOM 0 HA3 GLY A 19 12.547 -0.702 4.959 1.00 0.00 H new ATOM 261 N ARG A 20 10.312 -0.634 2.861 1.00 0.00 N ATOM 262 CA ARG A 20 9.771 -1.200 1.632 1.00 0.00 C ATOM 263 C ARG A 20 9.818 -0.153 0.523 1.00 0.00 C ATOM 264 O ARG A 20 9.930 1.037 0.796 1.00 0.00 O ATOM 265 CB ARG A 20 8.335 -1.696 1.835 1.00 0.00 C ATOM 266 CG ARG A 20 7.964 -2.004 3.283 1.00 0.00 C ATOM 267 CD ARG A 20 8.743 -3.184 3.843 1.00 0.00 C ATOM 268 NE ARG A 20 7.907 -4.022 4.696 1.00 0.00 N ATOM 269 CZ ARG A 20 8.085 -4.200 6.002 1.00 0.00 C ATOM 270 NH1 ARG A 20 9.038 -3.539 6.650 1.00 0.00 N ATOM 271 NH2 ARG A 20 7.278 -5.019 6.667 1.00 0.00 N ATOM 0 H ARG A 20 9.609 -0.347 3.542 1.00 0.00 H new ATOM 0 HA ARG A 20 10.381 -2.057 1.348 1.00 0.00 H new ATOM 0 HB2 ARG A 20 7.647 -0.943 1.451 1.00 0.00 H new ATOM 0 HB3 ARG A 20 8.188 -2.596 1.238 1.00 0.00 H new ATOM 0 HG2 ARG A 20 8.151 -1.124 3.898 1.00 0.00 H new ATOM 0 HG3 ARG A 20 6.896 -2.215 3.345 1.00 0.00 H new ATOM 0 HD2 ARG A 20 9.140 -3.781 3.022 1.00 0.00 H new ATOM 0 HD3 ARG A 20 9.597 -2.819 4.414 1.00 0.00 H new ATOM 0 HE ARG A 20 7.126 -4.509 4.257 1.00 0.00 H new ATOM 0 HH11 ARG A 20 9.641 -2.889 6.146 1.00 0.00 H new ATOM 0 HH12 ARG A 20 9.167 -3.682 7.652 1.00 0.00 H new ATOM 0 HH21 ARG A 20 6.528 -5.506 6.176 1.00 0.00 H new ATOM 0 HH22 ARG A 20 7.408 -5.161 7.669 1.00 0.00 H new ATOM 285 N LYS A 21 9.768 -0.596 -0.726 1.00 0.00 N ATOM 286 CA LYS A 21 9.822 0.330 -1.855 1.00 0.00 C ATOM 287 C LYS A 21 8.464 0.484 -2.522 1.00 0.00 C ATOM 288 O LYS A 21 8.076 1.576 -2.943 1.00 0.00 O ATOM 289 CB LYS A 21 10.865 -0.124 -2.881 1.00 0.00 C ATOM 290 CG LYS A 21 12.303 0.039 -2.407 1.00 0.00 C ATOM 291 CD LYS A 21 12.790 -1.187 -1.650 1.00 0.00 C ATOM 292 CE LYS A 21 14.117 -0.925 -0.957 1.00 0.00 C ATOM 293 NZ LYS A 21 13.981 0.049 0.162 1.00 0.00 N ATOM 0 H LYS A 21 9.691 -1.580 -0.984 1.00 0.00 H new ATOM 0 HA LYS A 21 10.114 1.303 -1.461 1.00 0.00 H new ATOM 0 HB2 LYS A 21 10.689 -1.172 -3.125 1.00 0.00 H new ATOM 0 HB3 LYS A 21 10.728 0.445 -3.801 1.00 0.00 H new ATOM 0 HG2 LYS A 21 12.951 0.217 -3.265 1.00 0.00 H new ATOM 0 HG3 LYS A 21 12.377 0.916 -1.764 1.00 0.00 H new ATOM 0 HD2 LYS A 21 12.044 -1.479 -0.911 1.00 0.00 H new ATOM 0 HD3 LYS A 21 12.898 -2.023 -2.341 1.00 0.00 H new ATOM 0 HE2 LYS A 21 14.517 -1.864 -0.574 1.00 0.00 H new ATOM 0 HE3 LYS A 21 14.836 -0.545 -1.683 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 14.837 0.022 0.751 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 13.856 1.006 -0.224 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 13.154 -0.201 0.741 1.00 0.00 H new ATOM 307 N PHE A 22 7.742 -0.611 -2.618 1.00 0.00 N ATOM 308 CA PHE A 22 6.432 -0.596 -3.244 1.00 0.00 C ATOM 309 C PHE A 22 5.393 -1.218 -2.332 1.00 0.00 C ATOM 310 O PHE A 22 5.707 -2.062 -1.492 1.00 0.00 O ATOM 311 CB PHE A 22 6.433 -1.336 -4.584 1.00 0.00 C ATOM 312 CG PHE A 22 7.735 -1.264 -5.334 1.00 0.00 C ATOM 313 CD1 PHE A 22 8.053 -0.147 -6.089 1.00 0.00 C ATOM 314 CD2 PHE A 22 8.639 -2.314 -5.283 1.00 0.00 C ATOM 315 CE1 PHE A 22 9.247 -0.076 -6.779 1.00 0.00 C ATOM 316 CE2 PHE A 22 9.836 -2.249 -5.971 1.00 0.00 C ATOM 317 CZ PHE A 22 10.141 -1.129 -6.720 1.00 0.00 C ATOM 0 H PHE A 22 8.037 -1.524 -2.272 1.00 0.00 H new ATOM 0 HA PHE A 22 6.181 0.449 -3.426 1.00 0.00 H new ATOM 0 HB2 PHE A 22 6.187 -2.383 -4.407 1.00 0.00 H new ATOM 0 HB3 PHE A 22 5.643 -0.925 -5.212 1.00 0.00 H new ATOM 0 HD1 PHE A 22 7.358 0.679 -6.139 1.00 0.00 H new ATOM 0 HD2 PHE A 22 8.405 -3.192 -4.699 1.00 0.00 H new ATOM 0 HE1 PHE A 22 9.482 0.801 -7.364 1.00 0.00 H new ATOM 0 HE2 PHE A 22 10.532 -3.073 -5.923 1.00 0.00 H new ATOM 0 HZ PHE A 22 11.076 -1.076 -7.258 1.00 0.00 H new ATOM 327 N GLY A 23 4.158 -0.811 -2.542 1.00 0.00 N ATOM 328 CA GLY A 23 3.053 -1.299 -1.751 1.00 0.00 C ATOM 329 C GLY A 23 1.798 -0.495 -2.006 1.00 0.00 C ATOM 330 O GLY A 23 1.854 0.733 -2.099 1.00 0.00 O ATOM 0 H GLY A 23 3.896 -0.137 -3.261 1.00 0.00 H new ATOM 0 HA2 GLY A 23 2.870 -2.348 -1.986 1.00 0.00 H new ATOM 0 HA3 GLY A 23 3.310 -1.250 -0.693 1.00 0.00 H new ATOM 334 N PHE A 24 0.681 -1.187 -2.154 1.00 0.00 N ATOM 335 CA PHE A 24 -0.607 -0.552 -2.403 1.00 0.00 C ATOM 336 C PHE A 24 -1.712 -1.562 -2.149 1.00 0.00 C ATOM 337 O PHE A 24 -1.430 -2.734 -1.929 1.00 0.00 O ATOM 338 CB PHE A 24 -0.698 -0.009 -3.838 1.00 0.00 C ATOM 339 CG PHE A 24 -0.445 -1.039 -4.909 1.00 0.00 C ATOM 340 CD1 PHE A 24 0.842 -1.282 -5.365 1.00 0.00 C ATOM 341 CD2 PHE A 24 -1.493 -1.758 -5.460 1.00 0.00 C ATOM 342 CE1 PHE A 24 1.078 -2.223 -6.349 1.00 0.00 C ATOM 343 CE2 PHE A 24 -1.264 -2.702 -6.444 1.00 0.00 C ATOM 344 CZ PHE A 24 0.023 -2.934 -6.889 1.00 0.00 C ATOM 0 H PHE A 24 0.639 -2.205 -2.105 1.00 0.00 H new ATOM 0 HA PHE A 24 -0.717 0.296 -1.727 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -1.689 0.420 -3.989 1.00 0.00 H new ATOM 0 HB3 PHE A 24 0.021 0.802 -3.953 1.00 0.00 H new ATOM 0 HD1 PHE A 24 1.670 -0.729 -4.946 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -2.501 -1.579 -5.117 1.00 0.00 H new ATOM 0 HE1 PHE A 24 2.085 -2.403 -6.695 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -2.090 -3.257 -6.864 1.00 0.00 H new ATOM 0 HZ PHE A 24 0.205 -3.670 -7.658 1.00 0.00 H new ATOM 354 N CYS A 25 -2.957 -1.116 -2.172 1.00 0.00 N ATOM 355 CA CYS A 25 -4.084 -2.008 -1.929 1.00 0.00 C ATOM 356 C CYS A 25 -4.138 -3.120 -2.964 1.00 0.00 C ATOM 357 O CYS A 25 -4.328 -2.868 -4.155 1.00 0.00 O ATOM 358 CB CYS A 25 -5.390 -1.226 -1.934 1.00 0.00 C ATOM 359 SG CYS A 25 -5.272 0.410 -1.153 1.00 0.00 S ATOM 0 H CYS A 25 -3.215 -0.146 -2.355 1.00 0.00 H new ATOM 0 HA CYS A 25 -3.945 -2.462 -0.948 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -5.724 -1.103 -2.964 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -6.153 -1.809 -1.419 1.00 0.00 H new ATOM 364 N ALA A 26 -3.965 -4.343 -2.497 1.00 0.00 N ATOM 365 CA ALA A 26 -3.984 -5.503 -3.369 1.00 0.00 C ATOM 366 C ALA A 26 -4.884 -6.592 -2.799 1.00 0.00 C ATOM 367 O ALA A 26 -5.519 -6.406 -1.759 1.00 0.00 O ATOM 368 CB ALA A 26 -2.572 -6.031 -3.580 1.00 0.00 C ATOM 0 H ALA A 26 -3.809 -4.559 -1.512 1.00 0.00 H new ATOM 0 HA ALA A 26 -4.388 -5.200 -4.335 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -2.603 -6.901 -4.236 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -1.958 -5.255 -4.036 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -2.143 -6.316 -2.619 1.00 0.00 H new ATOM 374 N GLY A 27 -4.940 -7.722 -3.487 1.00 0.00 N ATOM 375 CA GLY A 27 -5.765 -8.824 -3.041 1.00 0.00 C ATOM 376 C GLY A 27 -7.020 -8.954 -3.878 1.00 0.00 C ATOM 377 O GLY A 27 -7.022 -8.572 -5.046 1.00 0.00 O ATOM 0 H GLY A 27 -4.426 -7.896 -4.351 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -5.194 -9.751 -3.093 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -6.037 -8.676 -1.996 1.00 0.00 H new ATOM 381 N PRO A 28 -8.109 -9.488 -3.305 1.00 0.00 N ATOM 382 CA PRO A 28 -9.375 -9.653 -4.027 1.00 0.00 C ATOM 383 C PRO A 28 -10.092 -8.321 -4.237 1.00 0.00 C ATOM 384 O PRO A 28 -10.944 -8.191 -5.114 1.00 0.00 O ATOM 385 CB PRO A 28 -10.188 -10.566 -3.108 1.00 0.00 C ATOM 386 CG PRO A 28 -9.651 -10.306 -1.740 1.00 0.00 C ATOM 387 CD PRO A 28 -8.190 -9.982 -1.917 1.00 0.00 C ATOM 0 HA PRO A 28 -9.231 -10.059 -5.028 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -11.252 -10.338 -3.165 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -10.071 -11.613 -3.386 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -10.179 -9.479 -1.265 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -9.782 -11.177 -1.098 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -7.857 -9.228 -1.203 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -7.563 -10.861 -1.767 1.00 0.00 H new ATOM 395 N LEU A 29 -9.734 -7.337 -3.423 1.00 0.00 N ATOM 396 CA LEU A 29 -10.327 -6.012 -3.499 1.00 0.00 C ATOM 397 C LEU A 29 -9.268 -4.959 -3.210 1.00 0.00 C ATOM 398 O LEU A 29 -8.467 -5.115 -2.288 1.00 0.00 O ATOM 399 CB LEU A 29 -11.480 -5.877 -2.497 1.00 0.00 C ATOM 400 CG LEU A 29 -12.757 -6.643 -2.854 1.00 0.00 C ATOM 401 CD1 LEU A 29 -13.716 -6.655 -1.675 1.00 0.00 C ATOM 402 CD2 LEU A 29 -13.424 -6.028 -4.075 1.00 0.00 C ATOM 0 H LEU A 29 -9.027 -7.436 -2.695 1.00 0.00 H new ATOM 0 HA LEU A 29 -10.722 -5.865 -4.504 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -11.133 -6.219 -1.522 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -11.728 -4.820 -2.395 1.00 0.00 H new ATOM 0 HG LEU A 29 -12.487 -7.672 -3.091 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -14.618 -7.203 -1.946 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -13.239 -7.139 -0.823 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -13.979 -5.631 -1.410 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -14.330 -6.585 -4.314 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -13.681 -4.990 -3.865 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -12.739 -6.068 -4.922 1.00 0.00 H new ATOM 414 N ARG A 30 -9.265 -3.888 -3.996 1.00 0.00 N ATOM 415 CA ARG A 30 -8.298 -2.811 -3.813 1.00 0.00 C ATOM 416 C ARG A 30 -8.692 -1.944 -2.616 1.00 0.00 C ATOM 417 O ARG A 30 -9.074 -0.782 -2.767 1.00 0.00 O ATOM 418 CB ARG A 30 -8.194 -1.959 -5.084 1.00 0.00 C ATOM 419 CG ARG A 30 -6.842 -1.282 -5.252 1.00 0.00 C ATOM 420 CD ARG A 30 -6.707 -0.601 -6.607 1.00 0.00 C ATOM 421 NE ARG A 30 -7.332 0.723 -6.626 1.00 0.00 N ATOM 422 CZ ARG A 30 -6.652 1.871 -6.535 1.00 0.00 C ATOM 423 NH1 ARG A 30 -5.327 1.863 -6.447 1.00 0.00 N ATOM 424 NH2 ARG A 30 -7.295 3.030 -6.539 1.00 0.00 N ATOM 0 H ARG A 30 -9.920 -3.742 -4.764 1.00 0.00 H new ATOM 0 HA ARG A 30 -7.321 -3.251 -3.616 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -8.386 -2.590 -5.952 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -8.973 -1.197 -5.066 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -6.706 -0.545 -4.461 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -6.050 -2.022 -5.138 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -5.651 -0.506 -6.860 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -7.163 -1.227 -7.373 1.00 0.00 H new ATOM 0 HE ARG A 30 -8.347 0.773 -6.714 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -4.821 0.977 -6.449 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -4.815 2.743 -6.378 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -8.312 3.049 -6.612 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -6.773 3.903 -6.469 1.00 0.00 H new ATOM 438 N ALA A 31 -8.601 -2.525 -1.427 1.00 0.00 N ATOM 439 CA ALA A 31 -8.952 -1.826 -0.201 1.00 0.00 C ATOM 440 C ALA A 31 -7.852 -1.953 0.850 1.00 0.00 C ATOM 441 O ALA A 31 -7.528 -0.984 1.541 1.00 0.00 O ATOM 442 CB ALA A 31 -10.267 -2.362 0.345 1.00 0.00 C ATOM 0 H ALA A 31 -8.285 -3.485 -1.287 1.00 0.00 H new ATOM 0 HA ALA A 31 -9.065 -0.768 -0.437 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -10.522 -1.833 1.263 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -11.056 -2.211 -0.392 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -10.166 -3.427 0.556 1.00 0.00 H new ATOM 448 N THR A 32 -7.291 -3.147 0.973 1.00 0.00 N ATOM 449 CA THR A 32 -6.235 -3.403 1.940 1.00 0.00 C ATOM 450 C THR A 32 -4.860 -3.262 1.293 1.00 0.00 C ATOM 451 O THR A 32 -4.562 -3.926 0.300 1.00 0.00 O ATOM 452 CB THR A 32 -6.379 -4.812 2.540 1.00 0.00 C ATOM 453 OG1 THR A 32 -7.770 -5.117 2.724 1.00 0.00 O ATOM 454 CG2 THR A 32 -5.653 -4.914 3.874 1.00 0.00 C ATOM 0 H THR A 32 -7.552 -3.958 0.412 1.00 0.00 H new ATOM 0 HA THR A 32 -6.328 -2.665 2.736 1.00 0.00 H new ATOM 0 HB THR A 32 -5.932 -5.527 1.850 1.00 0.00 H new ATOM 0 HG1 THR A 32 -7.860 -6.016 3.105 1.00 0.00 H new ATOM 0 HG21 THR A 32 -5.771 -5.920 4.276 1.00 0.00 H new ATOM 0 HG22 THR A 32 -4.594 -4.703 3.729 1.00 0.00 H new ATOM 0 HG23 THR A 32 -6.074 -4.192 4.574 1.00 0.00 H new ATOM 462 N CYS A 33 -4.032 -2.384 1.846 1.00 0.00 N ATOM 463 CA CYS A 33 -2.696 -2.163 1.312 1.00 0.00 C ATOM 464 C CYS A 33 -1.800 -3.368 1.539 1.00 0.00 C ATOM 465 O CYS A 33 -1.741 -3.925 2.634 1.00 0.00 O ATOM 466 CB CYS A 33 -2.047 -0.930 1.940 1.00 0.00 C ATOM 467 SG CYS A 33 -2.945 0.633 1.663 1.00 0.00 S ATOM 0 H CYS A 33 -4.262 -1.816 2.661 1.00 0.00 H new ATOM 0 HA CYS A 33 -2.808 -2.003 0.240 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -1.953 -1.093 3.014 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -1.037 -0.827 1.544 1.00 0.00 H new ATOM 472 N THR A 34 -1.128 -3.765 0.480 1.00 0.00 N ATOM 473 CA THR A 34 -0.204 -4.881 0.506 1.00 0.00 C ATOM 474 C THR A 34 1.128 -4.444 -0.098 1.00 0.00 C ATOM 475 O THR A 34 1.170 -3.915 -1.212 1.00 0.00 O ATOM 476 CB THR A 34 -0.762 -6.076 -0.288 1.00 0.00 C ATOM 477 OG1 THR A 34 -2.183 -6.153 -0.107 1.00 0.00 O ATOM 478 CG2 THR A 34 -0.117 -7.379 0.159 1.00 0.00 C ATOM 0 H THR A 34 -1.208 -3.318 -0.433 1.00 0.00 H new ATOM 0 HA THR A 34 -0.062 -5.193 1.541 1.00 0.00 H new ATOM 0 HB THR A 34 -0.532 -5.925 -1.343 1.00 0.00 H new ATOM 0 HG1 THR A 34 -2.515 -6.997 -0.479 1.00 0.00 H new ATOM 0 HG21 THR A 34 -0.530 -8.206 -0.418 1.00 0.00 H new ATOM 0 HG22 THR A 34 0.960 -7.326 -0.002 1.00 0.00 H new ATOM 0 HG23 THR A 34 -0.318 -7.540 1.218 1.00 0.00 H new ATOM 486 N CYS A 35 2.206 -4.631 0.639 1.00 0.00 N ATOM 487 CA CYS A 35 3.521 -4.242 0.157 1.00 0.00 C ATOM 488 C CYS A 35 4.205 -5.418 -0.530 1.00 0.00 C ATOM 489 O CYS A 35 3.748 -6.554 -0.405 1.00 0.00 O ATOM 490 CB CYS A 35 4.375 -3.704 1.306 1.00 0.00 C ATOM 491 SG CYS A 35 3.760 -2.138 2.012 1.00 0.00 S ATOM 0 H CYS A 35 2.200 -5.048 1.570 1.00 0.00 H new ATOM 0 HA CYS A 35 3.402 -3.444 -0.576 1.00 0.00 H new ATOM 0 HB2 CYS A 35 4.420 -4.455 2.095 1.00 0.00 H new ATOM 0 HB3 CYS A 35 5.394 -3.555 0.950 1.00 0.00 H new ATOM 496 N GLY A 36 5.289 -5.137 -1.262 1.00 0.00 N ATOM 497 CA GLY A 36 6.023 -6.180 -1.978 1.00 0.00 C ATOM 498 C GLY A 36 6.280 -7.415 -1.132 1.00 0.00 C ATOM 499 O GLY A 36 6.052 -8.539 -1.573 1.00 0.00 O ATOM 0 H GLY A 36 5.674 -4.199 -1.372 1.00 0.00 H new ATOM 0 HA2 GLY A 36 5.461 -6.466 -2.867 1.00 0.00 H new ATOM 0 HA3 GLY A 36 6.976 -5.776 -2.320 1.00 0.00 H new ATOM 503 N LYS A 37 6.781 -7.200 0.070 1.00 0.00 N ATOM 504 CA LYS A 37 7.044 -8.286 1.000 1.00 0.00 C ATOM 505 C LYS A 37 6.358 -7.978 2.319 1.00 0.00 C ATOM 506 O LYS A 37 6.874 -8.294 3.390 1.00 0.00 O ATOM 507 CB LYS A 37 8.549 -8.480 1.201 1.00 0.00 C ATOM 508 CG LYS A 37 9.183 -9.378 0.151 1.00 0.00 C ATOM 509 CD LYS A 37 10.689 -9.476 0.326 1.00 0.00 C ATOM 510 CE LYS A 37 11.284 -10.548 -0.574 1.00 0.00 C ATOM 511 NZ LYS A 37 10.904 -10.353 -2.001 1.00 0.00 N ATOM 0 H LYS A 37 7.016 -6.275 0.429 1.00 0.00 H new ATOM 0 HA LYS A 37 6.648 -9.216 0.593 1.00 0.00 H new ATOM 0 HB2 LYS A 37 9.040 -7.507 1.182 1.00 0.00 H new ATOM 0 HB3 LYS A 37 8.725 -8.906 2.189 1.00 0.00 H new ATOM 0 HG2 LYS A 37 8.745 -10.374 0.212 1.00 0.00 H new ATOM 0 HG3 LYS A 37 8.957 -8.991 -0.843 1.00 0.00 H new ATOM 0 HD2 LYS A 37 11.147 -8.513 0.099 1.00 0.00 H new ATOM 0 HD3 LYS A 37 10.922 -9.702 1.367 1.00 0.00 H new ATOM 0 HE2 LYS A 37 12.370 -10.536 -0.483 1.00 0.00 H new ATOM 0 HE3 LYS A 37 10.947 -11.529 -0.240 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 11.473 -10.984 -2.601 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 9.895 -10.574 -2.125 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 11.078 -9.365 -2.275 1.00 0.00 H new ATOM 525 N GLN A 38 5.185 -7.357 2.204 1.00 0.00 N ATOM 526 CA GLN A 38 4.392 -6.945 3.355 1.00 0.00 C ATOM 527 C GLN A 38 5.206 -6.024 4.250 1.00 0.00 C ATOM 528 O GLN A 38 5.797 -5.067 3.709 1.00 0.00 O ATOM 529 CB GLN A 38 3.869 -8.153 4.137 1.00 0.00 C ATOM 530 CG GLN A 38 2.408 -8.456 3.853 1.00 0.00 C ATOM 531 CD GLN A 38 1.526 -7.224 3.965 1.00 0.00 C ATOM 532 OE1 GLN A 38 1.296 -6.515 2.985 1.00 0.00 O ATOM 533 NE2 GLN A 38 1.037 -6.954 5.164 1.00 0.00 N ATOM 534 OXT GLN A 38 5.260 -6.253 5.476 1.00 0.00 O ATOM 0 H GLN A 38 4.759 -7.126 1.306 1.00 0.00 H new ATOM 0 HA GLN A 38 3.523 -6.397 2.991 1.00 0.00 H new ATOM 0 HB2 GLN A 38 4.471 -9.028 3.889 1.00 0.00 H new ATOM 0 HB3 GLN A 38 3.996 -7.971 5.204 1.00 0.00 H new ATOM 0 HG2 GLN A 38 2.315 -8.875 2.851 1.00 0.00 H new ATOM 0 HG3 GLN A 38 2.056 -9.216 4.551 1.00 0.00 H new ATOM 0 HE21 GLN A 38 1.250 -7.566 5.952 1.00 0.00 H new ATOM 0 HE22 GLN A 38 0.446 -6.134 5.301 1.00 0.00 H new TER 543 GLN A 38