USER MOD reduce.3.24.130724 H: found=0, std=0, add=396, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 397 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 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 159:sc= 0.0215 USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 ASN : amide:sc= -0.0261 K(o=-0.026,f=-1.1) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0.294 USER MOD Single : A 43 ASN : amide:sc= -0.0182 X(o=-0.018,f=0) USER MOD Single : A 46 LYS NZ :NH3+ -128:sc= 1.67 (180deg=-0.308) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 70 N TRP A 6 13.717 1.416 0.111 1.00 0.00 N ATOM 71 CA TRP A 6 13.543 1.406 1.559 1.00 0.00 C ATOM 72 C TRP A 6 12.429 2.352 1.986 1.00 0.00 C ATOM 73 O TRP A 6 11.611 2.016 2.843 1.00 0.00 O ATOM 74 CB TRP A 6 14.852 1.789 2.254 1.00 0.00 C ATOM 75 CG TRP A 6 15.924 0.748 2.127 1.00 0.00 C ATOM 76 CD1 TRP A 6 15.751 -0.563 1.800 1.00 0.00 C ATOM 77 CD2 TRP A 6 17.331 0.933 2.323 1.00 0.00 C ATOM 78 NE1 TRP A 6 16.963 -1.209 1.782 1.00 0.00 N ATOM 79 CE2 TRP A 6 17.950 -0.309 2.099 1.00 0.00 C ATOM 80 CE3 TRP A 6 18.127 2.032 2.667 1.00 0.00 C ATOM 81 CZ2 TRP A 6 19.320 -0.488 2.207 1.00 0.00 C ATOM 82 CZ3 TRP A 6 19.502 1.854 2.775 1.00 0.00 C ATOM 83 CH2 TRP A 6 20.081 0.630 2.552 1.00 0.00 C ATOM 0 HA TRP A 6 13.264 0.395 1.856 1.00 0.00 H new ATOM 0 HB2 TRP A 6 15.216 2.727 1.834 1.00 0.00 H new ATOM 0 HB3 TRP A 6 14.654 1.968 3.311 1.00 0.00 H new ATOM 0 HD1 TRP A 6 14.799 -1.027 1.586 1.00 0.00 H new ATOM 0 HE1 TRP A 6 17.106 -2.196 1.568 1.00 0.00 H new ATOM 0 HE3 TRP A 6 17.682 3.000 2.845 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 19.779 -1.450 2.032 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 20.126 2.695 3.039 1.00 0.00 H new ATOM 0 HH2 TRP A 6 21.152 0.529 2.646 1.00 0.00 H new ATOM 94 N LEU A 7 12.402 3.536 1.385 1.00 0.00 N ATOM 95 CA LEU A 7 11.332 4.495 1.632 1.00 0.00 C ATOM 96 C LEU A 7 9.989 3.959 1.154 1.00 0.00 C ATOM 97 O LEU A 7 8.986 4.048 1.863 1.00 0.00 O ATOM 98 CB LEU A 7 11.648 5.830 0.945 1.00 0.00 C ATOM 99 CG LEU A 7 12.957 6.497 1.386 1.00 0.00 C ATOM 100 CD1 LEU A 7 13.396 7.521 0.347 1.00 0.00 C ATOM 101 CD2 LEU A 7 12.760 7.157 2.742 1.00 0.00 C ATOM 0 H LEU A 7 13.109 3.855 0.723 1.00 0.00 H new ATOM 0 HA LEU A 7 11.265 4.656 2.708 1.00 0.00 H new ATOM 0 HB2 LEU A 7 11.687 5.666 -0.132 1.00 0.00 H new ATOM 0 HB3 LEU A 7 10.826 6.521 1.133 1.00 0.00 H new ATOM 0 HG LEU A 7 13.738 5.742 1.474 1.00 0.00 H new ATOM 0 HD11 LEU A 7 14.326 7.990 0.668 1.00 0.00 H new ATOM 0 HD12 LEU A 7 13.552 7.024 -0.610 1.00 0.00 H new ATOM 0 HD13 LEU A 7 12.624 8.283 0.239 1.00 0.00 H new ATOM 0 HD21 LEU A 7 13.691 7.631 3.055 1.00 0.00 H new ATOM 0 HD22 LEU A 7 11.976 7.911 2.669 1.00 0.00 H new ATOM 0 HD23 LEU A 7 12.472 6.403 3.475 1.00 0.00 H new ATOM 113 N LEU A 8 9.976 3.401 -0.051 1.00 0.00 N ATOM 114 CA LEU A 8 8.762 2.819 -0.612 1.00 0.00 C ATOM 115 C LEU A 8 8.288 1.629 0.214 1.00 0.00 C ATOM 116 O LEU A 8 7.089 1.451 0.431 1.00 0.00 O ATOM 117 CB LEU A 8 9.001 2.395 -2.068 1.00 0.00 C ATOM 118 CG LEU A 8 7.952 1.440 -2.651 1.00 0.00 C ATOM 119 CD1 LEU A 8 6.562 2.050 -2.521 1.00 0.00 C ATOM 120 CD2 LEU A 8 8.281 1.151 -4.108 1.00 0.00 C ATOM 0 H LEU A 8 10.793 3.339 -0.659 1.00 0.00 H new ATOM 0 HA LEU A 8 7.980 3.578 -0.587 1.00 0.00 H new ATOM 0 HB2 LEU A 8 9.039 3.290 -2.689 1.00 0.00 H new ATOM 0 HB3 LEU A 8 9.979 1.919 -2.135 1.00 0.00 H new ATOM 0 HG LEU A 8 7.966 0.502 -2.097 1.00 0.00 H new ATOM 0 HD11 LEU A 8 5.824 1.365 -2.938 1.00 0.00 H new ATOM 0 HD12 LEU A 8 6.339 2.227 -1.469 1.00 0.00 H new ATOM 0 HD13 LEU A 8 6.527 2.995 -3.064 1.00 0.00 H new ATOM 0 HD21 LEU A 8 7.535 0.472 -4.522 1.00 0.00 H new ATOM 0 HD22 LEU A 8 8.277 2.083 -4.674 1.00 0.00 H new ATOM 0 HD23 LEU A 8 9.267 0.691 -4.174 1.00 0.00 H new ATOM 132 N LYS A 9 9.236 0.819 0.673 1.00 0.00 N ATOM 133 CA LYS A 9 8.930 -0.275 1.586 1.00 0.00 C ATOM 134 C LYS A 9 8.177 0.225 2.813 1.00 0.00 C ATOM 135 O LYS A 9 7.259 -0.436 3.301 1.00 0.00 O ATOM 136 CB LYS A 9 10.214 -0.990 2.014 1.00 0.00 C ATOM 137 CG LYS A 9 9.992 -2.199 2.913 1.00 0.00 C ATOM 138 CD LYS A 9 11.276 -2.990 3.104 1.00 0.00 C ATOM 139 CE LYS A 9 11.838 -3.465 1.771 1.00 0.00 C ATOM 140 NZ LYS A 9 13.162 -4.126 1.930 1.00 0.00 N ATOM 0 H LYS A 9 10.223 0.900 0.427 1.00 0.00 H new ATOM 0 HA LYS A 9 8.290 -0.981 1.057 1.00 0.00 H new ATOM 0 HB2 LYS A 9 10.752 -1.310 1.122 1.00 0.00 H new ATOM 0 HB3 LYS A 9 10.855 -0.279 2.534 1.00 0.00 H new ATOM 0 HG2 LYS A 9 9.618 -1.870 3.882 1.00 0.00 H new ATOM 0 HG3 LYS A 9 9.227 -2.843 2.478 1.00 0.00 H new ATOM 0 HD2 LYS A 9 12.015 -2.370 3.612 1.00 0.00 H new ATOM 0 HD3 LYS A 9 11.084 -3.849 3.747 1.00 0.00 H new ATOM 0 HE2 LYS A 9 11.138 -4.161 1.309 1.00 0.00 H new ATOM 0 HE3 LYS A 9 11.935 -2.616 1.095 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 13.510 -4.435 1.000 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 13.838 -3.454 2.347 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 13.065 -4.952 2.555 1.00 0.00 H new ATOM 154 N GLU A 10 8.569 1.394 3.306 1.00 0.00 N ATOM 155 CA GLU A 10 7.873 2.028 4.419 1.00 0.00 C ATOM 156 C GLU A 10 6.535 2.605 3.975 1.00 0.00 C ATOM 157 O GLU A 10 5.564 2.599 4.730 1.00 0.00 O ATOM 158 CB GLU A 10 8.740 3.127 5.039 1.00 0.00 C ATOM 159 CG GLU A 10 9.955 2.615 5.799 1.00 0.00 C ATOM 160 CD GLU A 10 10.790 3.750 6.322 1.00 0.00 C ATOM 161 OE1 GLU A 10 10.461 4.880 6.050 1.00 0.00 O ATOM 162 OE2 GLU A 10 11.691 3.495 7.086 1.00 0.00 O ATOM 0 H GLU A 10 9.366 1.923 2.952 1.00 0.00 H new ATOM 0 HA GLU A 10 7.682 1.262 5.171 1.00 0.00 H new ATOM 0 HB2 GLU A 10 9.077 3.797 4.248 1.00 0.00 H new ATOM 0 HB3 GLU A 10 8.125 3.719 5.717 1.00 0.00 H new ATOM 0 HG2 GLU A 10 9.630 1.988 6.629 1.00 0.00 H new ATOM 0 HG3 GLU A 10 10.559 1.988 5.143 1.00 0.00 H new ATOM 169 N ALA A 11 6.492 3.105 2.744 1.00 0.00 N ATOM 170 CA ALA A 11 5.256 3.622 2.169 1.00 0.00 C ATOM 171 C ALA A 11 4.203 2.527 2.052 1.00 0.00 C ATOM 172 O ALA A 11 3.022 2.758 2.307 1.00 0.00 O ATOM 173 CB ALA A 11 5.525 4.252 0.811 1.00 0.00 C ATOM 0 H ALA A 11 7.301 3.163 2.125 1.00 0.00 H new ATOM 0 HA ALA A 11 4.868 4.389 2.839 1.00 0.00 H new ATOM 0 HB1 ALA A 11 4.592 4.633 0.395 1.00 0.00 H new ATOM 0 HB2 ALA A 11 6.234 5.073 0.924 1.00 0.00 H new ATOM 0 HB3 ALA A 11 5.942 3.503 0.139 1.00 0.00 H new ATOM 179 N LYS A 12 4.640 1.334 1.664 1.00 0.00 N ATOM 180 CA LYS A 12 3.734 0.203 1.502 1.00 0.00 C ATOM 181 C LYS A 12 3.115 -0.203 2.833 1.00 0.00 C ATOM 182 O LYS A 12 1.909 -0.429 2.925 1.00 0.00 O ATOM 183 CB LYS A 12 4.467 -0.986 0.878 1.00 0.00 C ATOM 184 CG LYS A 12 4.891 -0.775 -0.570 1.00 0.00 C ATOM 185 CD LYS A 12 5.982 -1.754 -0.975 1.00 0.00 C ATOM 186 CE LYS A 12 6.329 -1.619 -2.450 1.00 0.00 C ATOM 187 NZ LYS A 12 7.304 -2.652 -2.890 1.00 0.00 N ATOM 0 H LYS A 12 5.616 1.125 1.456 1.00 0.00 H new ATOM 0 HA LYS A 12 2.931 0.513 0.834 1.00 0.00 H new ATOM 0 HB2 LYS A 12 5.352 -1.205 1.475 1.00 0.00 H new ATOM 0 HB3 LYS A 12 3.822 -1.863 0.931 1.00 0.00 H new ATOM 0 HG2 LYS A 12 4.028 -0.897 -1.225 1.00 0.00 H new ATOM 0 HG3 LYS A 12 5.249 0.246 -0.701 1.00 0.00 H new ATOM 0 HD2 LYS A 12 6.873 -1.578 -0.372 1.00 0.00 H new ATOM 0 HD3 LYS A 12 5.654 -2.773 -0.769 1.00 0.00 H new ATOM 0 HE2 LYS A 12 5.420 -1.702 -3.045 1.00 0.00 H new ATOM 0 HE3 LYS A 12 6.742 -0.628 -2.636 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 7.513 -2.524 -3.901 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 8.182 -2.557 -2.340 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 6.900 -3.598 -2.737 1.00 0.00 H new ATOM 201 N GLU A 13 3.950 -0.295 3.863 1.00 0.00 N ATOM 202 CA GLU A 13 3.492 -0.702 5.186 1.00 0.00 C ATOM 203 C GLU A 13 2.616 0.371 5.821 1.00 0.00 C ATOM 204 O GLU A 13 1.570 0.072 6.397 1.00 0.00 O ATOM 205 CB GLU A 13 4.684 -1.013 6.094 1.00 0.00 C ATOM 206 CG GLU A 13 5.452 -2.271 5.714 1.00 0.00 C ATOM 207 CD GLU A 13 6.671 -2.448 6.576 1.00 0.00 C ATOM 208 OE1 GLU A 13 6.930 -1.592 7.388 1.00 0.00 O ATOM 209 OE2 GLU A 13 7.281 -3.489 6.501 1.00 0.00 O ATOM 0 H GLU A 13 4.948 -0.093 3.807 1.00 0.00 H new ATOM 0 HA GLU A 13 2.893 -1.605 5.067 1.00 0.00 H new ATOM 0 HB2 GLU A 13 5.369 -0.165 6.078 1.00 0.00 H new ATOM 0 HB3 GLU A 13 4.328 -1.115 7.119 1.00 0.00 H new ATOM 0 HG2 GLU A 13 4.803 -3.141 5.816 1.00 0.00 H new ATOM 0 HG3 GLU A 13 5.749 -2.216 4.667 1.00 0.00 H new ATOM 216 N LYS A 14 3.051 1.622 5.712 1.00 0.00 N ATOM 217 CA LYS A 14 2.384 2.725 6.393 1.00 0.00 C ATOM 218 C LYS A 14 1.004 2.985 5.800 1.00 0.00 C ATOM 219 O LYS A 14 0.069 3.342 6.516 1.00 0.00 O ATOM 220 CB LYS A 14 3.236 3.994 6.318 1.00 0.00 C ATOM 221 CG LYS A 14 4.449 3.992 7.238 1.00 0.00 C ATOM 222 CD LYS A 14 5.215 5.303 7.147 1.00 0.00 C ATOM 223 CE LYS A 14 4.308 6.495 7.419 1.00 0.00 C ATOM 224 NZ LYS A 14 4.052 6.679 8.873 1.00 0.00 N ATOM 0 H LYS A 14 3.862 1.897 5.159 1.00 0.00 H new ATOM 0 HA LYS A 14 2.258 2.444 7.439 1.00 0.00 H new ATOM 0 HB2 LYS A 14 3.574 4.130 5.291 1.00 0.00 H new ATOM 0 HB3 LYS A 14 2.610 4.852 6.563 1.00 0.00 H new ATOM 0 HG2 LYS A 14 4.128 3.827 8.266 1.00 0.00 H new ATOM 0 HG3 LYS A 14 5.107 3.165 6.973 1.00 0.00 H new ATOM 0 HD2 LYS A 14 6.036 5.297 7.864 1.00 0.00 H new ATOM 0 HD3 LYS A 14 5.658 5.399 6.156 1.00 0.00 H new ATOM 0 HE2 LYS A 14 4.765 7.398 7.014 1.00 0.00 H new ATOM 0 HE3 LYS A 14 3.360 6.356 6.899 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 3.431 7.501 9.015 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 3.593 5.828 9.255 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 4.953 6.837 9.367 1.00 0.00 H new ATOM 238 N ALA A 15 0.885 2.804 4.490 1.00 0.00 N ATOM 239 CA ALA A 15 -0.336 3.156 3.776 1.00 0.00 C ATOM 240 C ALA A 15 -1.484 2.231 4.162 1.00 0.00 C ATOM 241 O ALA A 15 -2.603 2.684 4.405 1.00 0.00 O ATOM 242 CB ALA A 15 -0.102 3.116 2.273 1.00 0.00 C ATOM 0 H ALA A 15 1.620 2.415 3.900 1.00 0.00 H new ATOM 0 HA ALA A 15 -0.612 4.171 4.060 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -1.023 3.381 1.754 1.00 0.00 H new ATOM 0 HB2 ALA A 15 0.681 3.826 2.008 1.00 0.00 H new ATOM 0 HB3 ALA A 15 0.204 2.112 1.979 1.00 0.00 H new ATOM 248 N ILE A 16 -1.200 0.934 4.216 1.00 0.00 N ATOM 249 CA ILE A 16 -2.234 -0.067 4.446 1.00 0.00 C ATOM 250 C ILE A 16 -2.705 -0.051 5.894 1.00 0.00 C ATOM 251 O ILE A 16 -3.822 -0.470 6.198 1.00 0.00 O ATOM 252 CB ILE A 16 -1.739 -1.481 4.092 1.00 0.00 C ATOM 253 CG1 ILE A 16 -1.203 -1.517 2.659 1.00 0.00 C ATOM 254 CG2 ILE A 16 -2.857 -2.497 4.271 1.00 0.00 C ATOM 255 CD1 ILE A 16 -2.074 -0.787 1.662 1.00 0.00 C ATOM 0 H ILE A 16 -0.261 0.552 4.103 1.00 0.00 H new ATOM 0 HA ILE A 16 -3.069 0.189 3.794 1.00 0.00 H new ATOM 0 HB ILE A 16 -0.926 -1.742 4.770 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -0.205 -1.080 2.644 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -1.101 -2.556 2.345 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -2.489 -3.491 4.016 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -3.193 -2.489 5.308 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -3.690 -2.240 3.617 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -1.628 -0.857 0.670 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -3.066 -1.238 1.647 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -2.156 0.261 1.950 1.00 0.00 H new ATOM 267 N GLU A 17 -1.847 0.434 6.784 1.00 0.00 N ATOM 268 CA GLU A 17 -2.196 0.562 8.195 1.00 0.00 C ATOM 269 C GLU A 17 -3.545 1.246 8.369 1.00 0.00 C ATOM 270 O GLU A 17 -4.313 0.907 9.269 1.00 0.00 O ATOM 271 CB GLU A 17 -1.112 1.338 8.947 1.00 0.00 C ATOM 272 CG GLU A 17 -1.343 1.445 10.447 1.00 0.00 C ATOM 273 CD GLU A 17 -0.204 2.155 11.125 1.00 0.00 C ATOM 274 OE1 GLU A 17 0.718 2.541 10.448 1.00 0.00 O ATOM 275 OE2 GLU A 17 -0.306 2.409 12.302 1.00 0.00 O ATOM 0 H GLU A 17 -0.903 0.746 6.554 1.00 0.00 H new ATOM 0 HA GLU A 17 -2.267 -0.442 8.613 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -0.150 0.856 8.773 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -1.045 2.343 8.529 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -2.273 1.981 10.637 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -1.457 0.448 10.872 1.00 0.00 H new ATOM 282 N GLU A 18 -3.829 2.212 7.502 1.00 0.00 N ATOM 283 CA GLU A 18 -5.132 2.868 7.484 1.00 0.00 C ATOM 284 C GLU A 18 -6.239 1.883 7.129 1.00 0.00 C ATOM 285 O GLU A 18 -7.319 1.910 7.718 1.00 0.00 O ATOM 286 CB GLU A 18 -5.130 4.037 6.496 1.00 0.00 C ATOM 287 CG GLU A 18 -4.240 5.202 6.903 1.00 0.00 C ATOM 288 CD GLU A 18 -4.165 6.237 5.816 1.00 0.00 C ATOM 289 OE1 GLU A 18 -4.690 5.997 4.756 1.00 0.00 O ATOM 290 OE2 GLU A 18 -3.681 7.313 6.080 1.00 0.00 O ATOM 0 H GLU A 18 -3.174 2.559 6.802 1.00 0.00 H new ATOM 0 HA GLU A 18 -5.326 3.252 8.485 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -4.807 3.672 5.521 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -6.151 4.399 6.379 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -4.627 5.657 7.815 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -3.239 4.836 7.129 1.00 0.00 H new ATOM 297 N LEU A 19 -5.963 1.015 6.162 1.00 0.00 N ATOM 298 CA LEU A 19 -6.923 -0.003 5.750 1.00 0.00 C ATOM 299 C LEU A 19 -7.187 -0.997 6.872 1.00 0.00 C ATOM 300 O LEU A 19 -8.315 -1.456 7.054 1.00 0.00 O ATOM 301 CB LEU A 19 -6.417 -0.732 4.498 1.00 0.00 C ATOM 302 CG LEU A 19 -6.885 -0.139 3.163 1.00 0.00 C ATOM 303 CD1 LEU A 19 -6.807 1.381 3.210 1.00 0.00 C ATOM 304 CD2 LEU A 19 -6.026 -0.688 2.034 1.00 0.00 C ATOM 0 H LEU A 19 -5.082 0.996 5.648 1.00 0.00 H new ATOM 0 HA LEU A 19 -7.864 0.494 5.515 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -5.327 -0.734 4.514 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -6.739 -1.772 4.548 1.00 0.00 H new ATOM 0 HG LEU A 19 -7.922 -0.421 2.984 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -7.141 1.792 2.257 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -7.446 1.754 4.010 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -5.777 1.687 3.396 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -6.359 -0.266 1.086 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -4.984 -0.418 2.205 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -6.119 -1.774 2.001 1.00 0.00 H new ATOM 316 N LYS A 20 -6.142 -1.326 7.623 1.00 0.00 N ATOM 317 CA LYS A 20 -6.280 -2.184 8.794 1.00 0.00 C ATOM 318 C LYS A 20 -7.184 -1.544 9.840 1.00 0.00 C ATOM 319 O LYS A 20 -7.985 -2.225 10.481 1.00 0.00 O ATOM 320 CB LYS A 20 -4.908 -2.487 9.400 1.00 0.00 C ATOM 321 CG LYS A 20 -3.974 -3.265 8.482 1.00 0.00 C ATOM 322 CD LYS A 20 -2.695 -3.662 9.202 1.00 0.00 C ATOM 323 CE LYS A 20 -1.714 -4.340 8.258 1.00 0.00 C ATOM 324 NZ LYS A 20 -0.425 -4.661 8.930 1.00 0.00 N ATOM 0 H LYS A 20 -5.189 -1.011 7.442 1.00 0.00 H new ATOM 0 HA LYS A 20 -6.739 -3.119 8.472 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -4.429 -1.547 9.673 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -5.048 -3.053 10.321 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -4.481 -4.158 8.117 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -3.730 -2.659 7.610 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -2.231 -2.777 9.637 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -2.933 -4.335 10.026 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -2.159 -5.256 7.870 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -1.525 -3.690 7.403 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 0.215 -5.122 8.252 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 0.013 -3.784 9.278 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -0.601 -5.302 9.730 1.00 0.00 H new ATOM 338 N LYS A 21 -7.051 -0.233 10.010 1.00 0.00 N ATOM 339 CA LYS A 21 -7.947 0.523 10.876 1.00 0.00 C ATOM 340 C LYS A 21 -9.357 0.572 10.301 1.00 0.00 C ATOM 341 O LYS A 21 -10.335 0.690 11.040 1.00 0.00 O ATOM 342 CB LYS A 21 -7.416 1.940 11.089 1.00 0.00 C ATOM 343 CG LYS A 21 -6.169 2.021 11.960 1.00 0.00 C ATOM 344 CD LYS A 21 -5.663 3.451 12.071 1.00 0.00 C ATOM 345 CE LYS A 21 -4.382 3.525 12.890 1.00 0.00 C ATOM 346 NZ LYS A 21 -3.843 4.910 12.957 1.00 0.00 N ATOM 0 H LYS A 21 -6.329 0.329 9.558 1.00 0.00 H new ATOM 0 HA LYS A 21 -7.990 0.013 11.839 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -7.195 2.382 10.117 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -8.201 2.545 11.543 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -6.392 1.634 12.954 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -5.387 1.388 11.539 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -5.483 3.853 11.074 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -6.428 4.075 12.533 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -4.576 3.162 13.899 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -3.633 2.865 12.452 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -2.971 4.916 13.524 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -3.634 5.248 11.996 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -4.547 5.536 13.398 1.00 0.00 H new ATOM 360 N ALA A 22 -9.455 0.481 8.979 1.00 0.00 N ATOM 361 CA ALA A 22 -10.739 0.596 8.296 1.00 0.00 C ATOM 362 C ALA A 22 -11.474 -0.737 8.280 1.00 0.00 C ATOM 363 O ALA A 22 -12.634 -0.813 7.874 1.00 0.00 O ATOM 364 CB ALA A 22 -10.540 1.113 6.880 1.00 0.00 C ATOM 0 H ALA A 22 -8.660 0.328 8.358 1.00 0.00 H new ATOM 0 HA ALA A 22 -11.352 1.310 8.846 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -11.507 1.194 6.383 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -10.067 2.094 6.914 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -9.904 0.422 6.327 1.00 0.00 H new ATOM 370 N GLY A 23 -10.794 -1.789 8.723 1.00 0.00 N ATOM 371 CA GLY A 23 -11.404 -3.109 8.825 1.00 0.00 C ATOM 372 C GLY A 23 -11.239 -3.893 7.530 1.00 0.00 C ATOM 373 O GLY A 23 -11.962 -4.859 7.282 1.00 0.00 O ATOM 0 H GLY A 23 -9.818 -1.753 9.018 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -10.949 -3.660 9.648 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -12.464 -3.006 9.058 1.00 0.00 H new ATOM 377 N ILE A 24 -10.285 -3.473 6.706 1.00 0.00 N ATOM 378 CA ILE A 24 -9.994 -4.162 5.455 1.00 0.00 C ATOM 379 C ILE A 24 -9.094 -5.368 5.687 1.00 0.00 C ATOM 380 O ILE A 24 -8.020 -5.249 6.277 1.00 0.00 O ATOM 381 CB ILE A 24 -9.326 -3.223 4.435 1.00 0.00 C ATOM 382 CG1 ILE A 24 -10.218 -2.008 4.162 1.00 0.00 C ATOM 383 CG2 ILE A 24 -9.026 -3.967 3.143 1.00 0.00 C ATOM 384 CD1 ILE A 24 -11.556 -2.359 3.552 1.00 0.00 C ATOM 0 H ILE A 24 -9.699 -2.657 6.883 1.00 0.00 H new ATOM 0 HA ILE A 24 -10.949 -4.499 5.052 1.00 0.00 H new ATOM 0 HB ILE A 24 -8.384 -2.871 4.855 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -10.384 -1.474 5.097 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -9.692 -1.326 3.494 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -8.554 -3.288 2.433 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -8.354 -4.800 3.350 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -9.955 -4.348 2.718 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -12.131 -1.448 3.388 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -11.400 -2.866 2.600 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -12.103 -3.016 4.228 1.00 0.00 H new ATOM 396 N THR A 25 -9.538 -6.531 5.220 1.00 0.00 N ATOM 397 CA THR A 25 -8.834 -7.780 5.479 1.00 0.00 C ATOM 398 C THR A 25 -8.421 -8.460 4.180 1.00 0.00 C ATOM 399 O THR A 25 -7.895 -9.572 4.191 1.00 0.00 O ATOM 400 CB THR A 25 -9.695 -8.753 6.304 1.00 0.00 C ATOM 401 OG1 THR A 25 -10.911 -9.037 5.599 1.00 0.00 O ATOM 402 CG2 THR A 25 -10.029 -8.152 7.661 1.00 0.00 C ATOM 0 H THR A 25 -10.384 -6.633 4.659 1.00 0.00 H new ATOM 0 HA THR A 25 -7.942 -7.524 6.051 1.00 0.00 H new ATOM 0 HB THR A 25 -9.131 -9.673 6.455 1.00 0.00 H new ATOM 0 HG1 THR A 25 -11.457 -9.658 6.125 1.00 0.00 H new ATOM 0 HG21 THR A 25 -10.638 -8.854 8.230 1.00 0.00 H new ATOM 0 HG22 THR A 25 -9.107 -7.948 8.205 1.00 0.00 H new ATOM 0 HG23 THR A 25 -10.581 -7.223 7.521 1.00 0.00 H new ATOM 410 N SER A 26 -8.662 -7.783 3.062 1.00 0.00 N ATOM 411 CA SER A 26 -8.374 -8.348 1.749 1.00 0.00 C ATOM 412 C SER A 26 -6.877 -8.355 1.469 1.00 0.00 C ATOM 413 O SER A 26 -6.279 -7.311 1.208 1.00 0.00 O ATOM 414 CB SER A 26 -9.108 -7.569 0.674 1.00 0.00 C ATOM 415 OG SER A 26 -8.800 -8.030 -0.613 1.00 0.00 O ATOM 0 H SER A 26 -9.056 -6.842 3.039 1.00 0.00 H new ATOM 0 HA SER A 26 -8.722 -9.381 1.740 1.00 0.00 H new ATOM 0 HB2 SER A 26 -10.182 -7.648 0.839 1.00 0.00 H new ATOM 0 HB3 SER A 26 -8.850 -6.513 0.752 1.00 0.00 H new ATOM 0 HG SER A 26 -9.508 -7.760 -1.235 1.00 0.00 H new ATOM 421 N ASP A 27 -6.275 -9.538 1.525 1.00 0.00 N ATOM 422 CA ASP A 27 -4.856 -9.691 1.227 1.00 0.00 C ATOM 423 C ASP A 27 -4.585 -9.522 -0.262 1.00 0.00 C ATOM 424 O ASP A 27 -3.476 -9.169 -0.665 1.00 0.00 O ATOM 425 CB ASP A 27 -4.352 -11.057 1.701 1.00 0.00 C ATOM 426 CG ASP A 27 -4.220 -11.188 3.212 1.00 0.00 C ATOM 427 OD1 ASP A 27 -4.279 -10.186 3.884 1.00 0.00 O ATOM 428 OD2 ASP A 27 -4.219 -12.297 3.694 1.00 0.00 O ATOM 0 H ASP A 27 -6.749 -10.406 1.774 1.00 0.00 H new ATOM 0 HA ASP A 27 -4.317 -8.910 1.763 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -5.033 -11.828 1.340 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -3.381 -11.251 1.245 1.00 0.00 H new ATOM 433 N TYR A 28 -5.603 -9.774 -1.077 1.00 0.00 N ATOM 434 CA TYR A 28 -5.489 -9.611 -2.521 1.00 0.00 C ATOM 435 C TYR A 28 -5.024 -8.206 -2.881 1.00 0.00 C ATOM 436 O TYR A 28 -4.008 -8.031 -3.554 1.00 0.00 O ATOM 437 CB TYR A 28 -6.826 -9.912 -3.202 1.00 0.00 C ATOM 438 CG TYR A 28 -6.822 -9.667 -4.694 1.00 0.00 C ATOM 439 CD1 TYR A 28 -6.282 -10.600 -5.569 1.00 0.00 C ATOM 440 CD2 TYR A 28 -7.362 -8.506 -5.226 1.00 0.00 C ATOM 441 CE1 TYR A 28 -6.276 -10.382 -6.933 1.00 0.00 C ATOM 442 CE2 TYR A 28 -7.362 -8.276 -6.588 1.00 0.00 C ATOM 443 CZ TYR A 28 -6.818 -9.217 -7.439 1.00 0.00 C ATOM 444 OH TYR A 28 -6.816 -8.994 -8.797 1.00 0.00 O ATOM 0 H TYR A 28 -6.519 -10.093 -0.761 1.00 0.00 H new ATOM 0 HA TYR A 28 -4.742 -10.320 -2.878 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -7.092 -10.952 -3.015 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -7.602 -9.298 -2.745 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -5.859 -11.513 -5.176 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -7.790 -7.768 -4.564 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -5.850 -11.118 -7.599 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -7.785 -7.365 -6.985 1.00 0.00 H new ATOM 0 HH TYR A 28 -7.235 -8.129 -8.987 1.00 0.00 H new ATOM 454 N TYR A 29 -5.773 -7.206 -2.429 1.00 0.00 N ATOM 455 CA TYR A 29 -5.471 -5.817 -2.751 1.00 0.00 C ATOM 456 C TYR A 29 -4.224 -5.340 -2.017 1.00 0.00 C ATOM 457 O TYR A 29 -3.505 -4.466 -2.500 1.00 0.00 O ATOM 458 CB TYR A 29 -6.660 -4.916 -2.405 1.00 0.00 C ATOM 459 CG TYR A 29 -7.867 -5.128 -3.292 1.00 0.00 C ATOM 460 CD1 TYR A 29 -7.825 -4.799 -4.639 1.00 0.00 C ATOM 461 CD2 TYR A 29 -9.045 -5.651 -2.780 1.00 0.00 C ATOM 462 CE1 TYR A 29 -8.924 -4.990 -5.454 1.00 0.00 C ATOM 463 CE2 TYR A 29 -10.150 -5.846 -3.585 1.00 0.00 C ATOM 464 CZ TYR A 29 -10.085 -5.513 -4.923 1.00 0.00 C ATOM 465 OH TYR A 29 -11.183 -5.703 -5.731 1.00 0.00 O ATOM 0 H TYR A 29 -6.595 -7.332 -1.838 1.00 0.00 H new ATOM 0 HA TYR A 29 -5.280 -5.757 -3.823 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -6.947 -5.092 -1.368 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -6.347 -3.874 -2.476 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -6.919 -4.387 -5.057 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -9.099 -5.910 -1.733 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -8.875 -4.731 -6.501 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -11.059 -6.256 -3.170 1.00 0.00 H new ATOM 0 HH TYR A 29 -11.917 -6.080 -5.202 1.00 0.00 H new ATOM 475 N PHE A 30 -3.974 -5.919 -0.848 1.00 0.00 N ATOM 476 CA PHE A 30 -2.730 -5.680 -0.126 1.00 0.00 C ATOM 477 C PHE A 30 -1.525 -6.144 -0.935 1.00 0.00 C ATOM 478 O PHE A 30 -0.431 -5.593 -0.809 1.00 0.00 O ATOM 479 CB PHE A 30 -2.756 -6.386 1.231 1.00 0.00 C ATOM 480 CG PHE A 30 -3.758 -5.813 2.193 1.00 0.00 C ATOM 481 CD1 PHE A 30 -4.676 -4.860 1.776 1.00 0.00 C ATOM 482 CD2 PHE A 30 -3.786 -6.228 3.516 1.00 0.00 C ATOM 483 CE1 PHE A 30 -5.597 -4.333 2.658 1.00 0.00 C ATOM 484 CE2 PHE A 30 -4.709 -5.703 4.401 1.00 0.00 C ATOM 485 CZ PHE A 30 -5.614 -4.755 3.973 1.00 0.00 C ATOM 0 H PHE A 30 -4.617 -6.558 -0.380 1.00 0.00 H new ATOM 0 HA PHE A 30 -2.638 -4.606 0.035 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -2.977 -7.442 1.077 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -1.764 -6.330 1.678 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -4.670 -4.527 0.749 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -3.079 -6.969 3.858 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -6.305 -3.590 2.320 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -4.721 -6.036 5.428 1.00 0.00 H new ATOM 0 HZ PHE A 30 -6.334 -4.343 4.664 1.00 0.00 H new ATOM 495 N ASP A 31 -1.732 -7.160 -1.765 1.00 0.00 N ATOM 496 CA ASP A 31 -0.677 -7.665 -2.636 1.00 0.00 C ATOM 497 C ASP A 31 -0.349 -6.666 -3.739 1.00 0.00 C ATOM 498 O ASP A 31 0.803 -6.540 -4.153 1.00 0.00 O ATOM 499 CB ASP A 31 -1.084 -9.008 -3.247 1.00 0.00 C ATOM 500 CG ASP A 31 0.046 -9.744 -3.955 1.00 0.00 C ATOM 501 OD1 ASP A 31 1.017 -10.062 -3.310 1.00 0.00 O ATOM 502 OD2 ASP A 31 -0.135 -10.121 -5.088 1.00 0.00 O ATOM 0 H ASP A 31 -2.622 -7.651 -1.853 1.00 0.00 H new ATOM 0 HA ASP A 31 0.217 -7.809 -2.029 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -1.480 -9.647 -2.458 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -1.893 -8.840 -3.957 1.00 0.00 H new ATOM 507 N LEU A 32 -1.369 -5.959 -4.212 1.00 0.00 N ATOM 508 CA LEU A 32 -1.239 -5.130 -5.405 1.00 0.00 C ATOM 509 C LEU A 32 -0.217 -4.021 -5.196 1.00 0.00 C ATOM 510 O LEU A 32 0.504 -3.645 -6.121 1.00 0.00 O ATOM 511 CB LEU A 32 -2.601 -4.536 -5.789 1.00 0.00 C ATOM 512 CG LEU A 32 -3.374 -5.317 -6.859 1.00 0.00 C ATOM 513 CD1 LEU A 32 -3.706 -6.713 -6.349 1.00 0.00 C ATOM 514 CD2 LEU A 32 -4.644 -4.560 -7.222 1.00 0.00 C ATOM 0 H LEU A 32 -2.296 -5.943 -3.787 1.00 0.00 H new ATOM 0 HA LEU A 32 -0.886 -5.762 -6.220 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -3.217 -4.471 -4.892 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -2.448 -3.517 -6.145 1.00 0.00 H new ATOM 0 HG LEU A 32 -2.757 -5.418 -7.752 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -4.255 -7.260 -7.116 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -2.783 -7.244 -6.115 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -4.318 -6.636 -5.450 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -5.194 -5.115 -7.982 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -5.267 -4.447 -6.334 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -4.382 -3.575 -7.609 1.00 0.00 H new ATOM 526 N ILE A 33 -0.159 -3.500 -3.975 1.00 0.00 N ATOM 527 CA ILE A 33 0.783 -2.438 -3.639 1.00 0.00 C ATOM 528 C ILE A 33 2.216 -2.955 -3.634 1.00 0.00 C ATOM 529 O ILE A 33 3.166 -2.179 -3.740 1.00 0.00 O ATOM 530 CB ILE A 33 0.467 -1.815 -2.267 1.00 0.00 C ATOM 531 CG1 ILE A 33 0.520 -2.883 -1.171 1.00 0.00 C ATOM 532 CG2 ILE A 33 -0.895 -1.139 -2.291 1.00 0.00 C ATOM 533 CD1 ILE A 33 0.998 -2.363 0.165 1.00 0.00 C ATOM 0 H ILE A 33 -0.754 -3.796 -3.201 1.00 0.00 H new ATOM 0 HA ILE A 33 0.679 -1.672 -4.407 1.00 0.00 H new ATOM 0 HB ILE A 33 1.221 -1.059 -2.047 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -0.474 -3.314 -1.048 1.00 0.00 H new ATOM 0 HG13 ILE A 33 1.179 -3.689 -1.494 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -1.103 -0.704 -1.313 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -0.898 -0.353 -3.046 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -1.662 -1.875 -2.531 1.00 0.00 H new ATOM 0 HD11 ILE A 33 1.009 -3.177 0.890 1.00 0.00 H new ATOM 0 HD12 ILE A 33 2.005 -1.959 0.059 1.00 0.00 H new ATOM 0 HD13 ILE A 33 0.326 -1.578 0.511 1.00 0.00 H new ATOM 545 N ASN A 34 2.365 -4.270 -3.513 1.00 0.00 N ATOM 546 CA ASN A 34 3.681 -4.896 -3.535 1.00 0.00 C ATOM 547 C ASN A 34 4.247 -4.942 -4.949 1.00 0.00 C ATOM 548 O ASN A 34 5.456 -4.834 -5.148 1.00 0.00 O ATOM 549 CB ASN A 34 3.641 -6.293 -2.941 1.00 0.00 C ATOM 550 CG ASN A 34 3.432 -6.311 -1.452 1.00 0.00 C ATOM 551 OD1 ASN A 34 3.798 -5.368 -0.742 1.00 0.00 O ATOM 552 ND2 ASN A 34 2.921 -7.415 -0.968 1.00 0.00 N ATOM 0 H ASN A 34 1.590 -4.923 -3.399 1.00 0.00 H new ATOM 0 HA ASN A 34 4.339 -4.282 -2.920 1.00 0.00 H new ATOM 0 HB2 ASN A 34 2.840 -6.858 -3.418 1.00 0.00 H new ATOM 0 HB3 ASN A 34 4.575 -6.804 -3.174 1.00 0.00 H new ATOM 0 HD21 ASN A 34 2.809 -7.526 0.040 1.00 0.00 H new ATOM 0 HD22 ASN A 34 2.635 -8.164 -1.599 1.00 0.00 H new ATOM 559 N LYS A 35 3.364 -5.102 -5.929 1.00 0.00 N ATOM 560 CA LYS A 35 3.728 -4.910 -7.328 1.00 0.00 C ATOM 561 C LYS A 35 4.074 -3.455 -7.613 1.00 0.00 C ATOM 562 O LYS A 35 4.826 -3.156 -8.541 1.00 0.00 O ATOM 563 CB LYS A 35 2.593 -5.371 -8.244 1.00 0.00 C ATOM 564 CG LYS A 35 2.919 -5.305 -9.731 1.00 0.00 C ATOM 565 CD LYS A 35 1.787 -5.875 -10.571 1.00 0.00 C ATOM 566 CE LYS A 35 2.112 -5.810 -12.056 1.00 0.00 C ATOM 567 NZ LYS A 35 1.009 -6.357 -12.892 1.00 0.00 N ATOM 0 H LYS A 35 2.390 -5.365 -5.780 1.00 0.00 H new ATOM 0 HA LYS A 35 4.612 -5.515 -7.529 1.00 0.00 H new ATOM 0 HB2 LYS A 35 2.329 -6.397 -7.987 1.00 0.00 H new ATOM 0 HB3 LYS A 35 1.713 -4.757 -8.050 1.00 0.00 H new ATOM 0 HG2 LYS A 35 3.103 -4.270 -10.019 1.00 0.00 H new ATOM 0 HG3 LYS A 35 3.836 -5.859 -9.929 1.00 0.00 H new ATOM 0 HD2 LYS A 35 1.603 -6.910 -10.282 1.00 0.00 H new ATOM 0 HD3 LYS A 35 0.870 -5.320 -10.373 1.00 0.00 H new ATOM 0 HE2 LYS A 35 2.304 -4.775 -12.340 1.00 0.00 H new ATOM 0 HE3 LYS A 35 3.027 -6.369 -12.252 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 1.271 -6.294 -13.897 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 0.843 -7.352 -12.639 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 0.142 -5.808 -12.725 1.00 0.00 H new ATOM 581 N ALA A 36 3.522 -2.553 -6.809 1.00 0.00 N ATOM 582 CA ALA A 36 3.650 -1.123 -7.061 1.00 0.00 C ATOM 583 C ALA A 36 5.059 -0.632 -6.752 1.00 0.00 C ATOM 584 O ALA A 36 5.285 0.045 -5.749 1.00 0.00 O ATOM 585 CB ALA A 36 2.625 -0.347 -6.247 1.00 0.00 C ATOM 0 H ALA A 36 2.981 -2.787 -5.977 1.00 0.00 H new ATOM 0 HA ALA A 36 3.460 -0.950 -8.120 1.00 0.00 H new ATOM 0 HB1 ALA A 36 2.734 0.719 -6.446 1.00 0.00 H new ATOM 0 HB2 ALA A 36 1.621 -0.668 -6.525 1.00 0.00 H new ATOM 0 HB3 ALA A 36 2.785 -0.536 -5.185 1.00 0.00 H new ATOM 591 N LYS A 37 6.004 -0.980 -7.618 1.00 0.00 N ATOM 592 CA LYS A 37 7.397 -0.596 -7.427 1.00 0.00 C ATOM 593 C LYS A 37 7.557 0.920 -7.428 1.00 0.00 C ATOM 594 O LYS A 37 8.651 1.438 -7.210 1.00 0.00 O ATOM 595 CB LYS A 37 8.279 -1.217 -8.511 1.00 0.00 C ATOM 596 CG LYS A 37 9.773 -1.138 -8.230 1.00 0.00 C ATOM 597 CD LYS A 37 10.573 -1.923 -9.259 1.00 0.00 C ATOM 598 CE LYS A 37 12.051 -1.958 -8.903 1.00 0.00 C ATOM 599 NZ LYS A 37 12.836 -2.779 -9.865 1.00 0.00 N ATOM 0 H LYS A 37 5.830 -1.528 -8.460 1.00 0.00 H new ATOM 0 HA LYS A 37 7.714 -0.972 -6.454 1.00 0.00 H new ATOM 0 HB2 LYS A 37 8.000 -2.263 -8.634 1.00 0.00 H new ATOM 0 HB3 LYS A 37 8.073 -0.719 -9.459 1.00 0.00 H new ATOM 0 HG2 LYS A 37 10.092 -0.096 -8.237 1.00 0.00 H new ATOM 0 HG3 LYS A 37 9.978 -1.527 -7.233 1.00 0.00 H new ATOM 0 HD2 LYS A 37 10.188 -2.941 -9.322 1.00 0.00 H new ATOM 0 HD3 LYS A 37 10.445 -1.472 -10.243 1.00 0.00 H new ATOM 0 HE2 LYS A 37 12.445 -0.942 -8.888 1.00 0.00 H new ATOM 0 HE3 LYS A 37 12.173 -2.362 -7.898 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 13.838 -2.777 -9.586 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 12.478 -3.755 -9.861 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 12.741 -2.379 -10.820 1.00 0.00 H new ATOM 613 N THR A 38 6.457 1.624 -7.676 1.00 0.00 N ATOM 614 CA THR A 38 6.415 3.069 -7.485 1.00 0.00 C ATOM 615 C THR A 38 5.590 3.439 -6.259 1.00 0.00 C ATOM 616 O THR A 38 4.666 2.720 -5.881 1.00 0.00 O ATOM 617 CB THR A 38 5.834 3.785 -8.718 1.00 0.00 C ATOM 618 OG1 THR A 38 4.445 3.457 -8.853 1.00 0.00 O ATOM 619 CG2 THR A 38 6.575 3.365 -9.977 1.00 0.00 C ATOM 0 H THR A 38 5.583 1.217 -8.010 1.00 0.00 H new ATOM 0 HA THR A 38 7.444 3.396 -7.338 1.00 0.00 H new ATOM 0 HB THR A 38 5.949 4.860 -8.583 1.00 0.00 H new ATOM 0 HG1 THR A 38 4.076 3.914 -9.637 1.00 0.00 H new ATOM 0 HG21 THR A 38 6.151 3.881 -10.838 1.00 0.00 H new ATOM 0 HG22 THR A 38 7.629 3.624 -9.882 1.00 0.00 H new ATOM 0 HG23 THR A 38 6.477 2.288 -10.115 1.00 0.00 H new ATOM 627 N VAL A 39 5.930 4.566 -5.642 1.00 0.00 N ATOM 628 CA VAL A 39 5.159 5.085 -4.517 1.00 0.00 C ATOM 629 C VAL A 39 3.769 5.524 -4.957 1.00 0.00 C ATOM 630 O VAL A 39 2.790 5.332 -4.236 1.00 0.00 O ATOM 631 CB VAL A 39 5.872 6.273 -3.845 1.00 0.00 C ATOM 632 CG1 VAL A 39 4.970 6.914 -2.800 1.00 0.00 C ATOM 633 CG2 VAL A 39 7.180 5.821 -3.213 1.00 0.00 C ATOM 0 H VAL A 39 6.734 5.138 -5.902 1.00 0.00 H new ATOM 0 HA VAL A 39 5.068 4.272 -3.797 1.00 0.00 H new ATOM 0 HB VAL A 39 6.097 7.017 -4.610 1.00 0.00 H new ATOM 0 HG11 VAL A 39 5.490 7.752 -2.335 1.00 0.00 H new ATOM 0 HG12 VAL A 39 4.058 7.273 -3.277 1.00 0.00 H new ATOM 0 HG13 VAL A 39 4.715 6.177 -2.038 1.00 0.00 H new ATOM 0 HG21 VAL A 39 7.670 6.673 -2.743 1.00 0.00 H new ATOM 0 HG22 VAL A 39 6.976 5.059 -2.461 1.00 0.00 H new ATOM 0 HG23 VAL A 39 7.832 5.406 -3.982 1.00 0.00 H new ATOM 643 N GLU A 40 3.688 6.112 -6.145 1.00 0.00 N ATOM 644 CA GLU A 40 2.417 6.585 -6.682 1.00 0.00 C ATOM 645 C GLU A 40 1.454 5.430 -6.917 1.00 0.00 C ATOM 646 O GLU A 40 0.244 5.570 -6.735 1.00 0.00 O ATOM 647 CB GLU A 40 2.640 7.358 -7.984 1.00 0.00 C ATOM 648 CG GLU A 40 3.321 8.708 -7.807 1.00 0.00 C ATOM 649 CD GLU A 40 3.601 9.358 -9.133 1.00 0.00 C ATOM 650 OE1 GLU A 40 3.333 8.747 -10.139 1.00 0.00 O ATOM 651 OE2 GLU A 40 3.977 10.506 -9.141 1.00 0.00 O ATOM 0 H GLU A 40 4.489 6.273 -6.756 1.00 0.00 H new ATOM 0 HA GLU A 40 1.972 7.254 -5.945 1.00 0.00 H new ATOM 0 HB2 GLU A 40 3.242 6.747 -8.656 1.00 0.00 H new ATOM 0 HB3 GLU A 40 1.677 7.512 -8.470 1.00 0.00 H new ATOM 0 HG2 GLU A 40 2.688 9.361 -7.206 1.00 0.00 H new ATOM 0 HG3 GLU A 40 4.254 8.578 -7.259 1.00 0.00 H new ATOM 658 N GLY A 41 1.996 4.286 -7.323 1.00 0.00 N ATOM 659 CA GLY A 41 1.196 3.083 -7.510 1.00 0.00 C ATOM 660 C GLY A 41 0.535 2.652 -6.207 1.00 0.00 C ATOM 661 O GLY A 41 -0.664 2.373 -6.170 1.00 0.00 O ATOM 0 H GLY A 41 2.988 4.168 -7.529 1.00 0.00 H new ATOM 0 HA2 GLY A 41 0.432 3.265 -8.265 1.00 0.00 H new ATOM 0 HA3 GLY A 41 1.828 2.277 -7.884 1.00 0.00 H new ATOM 665 N VAL A 42 1.322 2.602 -5.138 1.00 0.00 N ATOM 666 CA VAL A 42 0.833 2.132 -3.848 1.00 0.00 C ATOM 667 C VAL A 42 -0.323 2.990 -3.350 1.00 0.00 C ATOM 668 O VAL A 42 -1.306 2.476 -2.818 1.00 0.00 O ATOM 669 CB VAL A 42 1.950 2.128 -2.787 1.00 0.00 C ATOM 670 CG1 VAL A 42 1.380 1.807 -1.414 1.00 0.00 C ATOM 671 CG2 VAL A 42 3.037 1.130 -3.159 1.00 0.00 C ATOM 0 H VAL A 42 2.303 2.882 -5.140 1.00 0.00 H new ATOM 0 HA VAL A 42 0.484 1.110 -3.999 1.00 0.00 H new ATOM 0 HB VAL A 42 2.394 3.123 -2.752 1.00 0.00 H new ATOM 0 HG11 VAL A 42 2.183 1.809 -0.677 1.00 0.00 H new ATOM 0 HG12 VAL A 42 0.638 2.558 -1.143 1.00 0.00 H new ATOM 0 HG13 VAL A 42 0.910 0.824 -1.436 1.00 0.00 H new ATOM 0 HG21 VAL A 42 3.817 1.141 -2.398 1.00 0.00 H new ATOM 0 HG22 VAL A 42 2.607 0.130 -3.223 1.00 0.00 H new ATOM 0 HG23 VAL A 42 3.467 1.402 -4.123 1.00 0.00 H new ATOM 681 N ASN A 43 -0.198 4.301 -3.528 1.00 0.00 N ATOM 682 CA ASN A 43 -1.250 5.231 -3.133 1.00 0.00 C ATOM 683 C ASN A 43 -2.453 5.129 -4.062 1.00 0.00 C ATOM 684 O ASN A 43 -3.599 5.145 -3.613 1.00 0.00 O ATOM 685 CB ASN A 43 -0.739 6.660 -3.089 1.00 0.00 C ATOM 686 CG ASN A 43 -1.741 7.643 -2.548 1.00 0.00 C ATOM 687 OD1 ASN A 43 -2.160 7.558 -1.388 1.00 0.00 O ATOM 688 ND2 ASN A 43 -2.185 8.526 -3.406 1.00 0.00 N ATOM 0 H ASN A 43 0.622 4.744 -3.943 1.00 0.00 H new ATOM 0 HA ASN A 43 -1.566 4.952 -2.128 1.00 0.00 H new ATOM 0 HB2 ASN A 43 0.161 6.696 -2.475 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -0.451 6.965 -4.095 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -2.911 9.186 -3.129 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -1.805 8.554 -4.352 1.00 0.00 H new ATOM 695 N ALA A 44 -2.185 5.024 -5.359 1.00 0.00 N ATOM 696 CA ALA A 44 -3.245 4.953 -6.357 1.00 0.00 C ATOM 697 C ALA A 44 -4.070 3.683 -6.193 1.00 0.00 C ATOM 698 O ALA A 44 -5.301 3.723 -6.226 1.00 0.00 O ATOM 699 CB ALA A 44 -2.659 5.030 -7.759 1.00 0.00 C ATOM 0 H ALA A 44 -1.241 4.986 -5.744 1.00 0.00 H new ATOM 0 HA ALA A 44 -3.908 5.805 -6.207 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -3.463 4.976 -8.493 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -2.122 5.971 -7.878 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -1.971 4.198 -7.912 1.00 0.00 H new ATOM 705 N LEU A 45 -3.387 2.558 -6.016 1.00 0.00 N ATOM 706 CA LEU A 45 -4.057 1.280 -5.804 1.00 0.00 C ATOM 707 C LEU A 45 -4.909 1.309 -4.541 1.00 0.00 C ATOM 708 O LEU A 45 -6.102 1.003 -4.578 1.00 0.00 O ATOM 709 CB LEU A 45 -3.026 0.147 -5.724 1.00 0.00 C ATOM 710 CG LEU A 45 -2.166 -0.042 -6.981 1.00 0.00 C ATOM 711 CD1 LEU A 45 -0.792 -0.573 -6.598 1.00 0.00 C ATOM 712 CD2 LEU A 45 -2.867 -0.996 -7.937 1.00 0.00 C ATOM 0 H LEU A 45 -2.368 2.505 -6.015 1.00 0.00 H new ATOM 0 HA LEU A 45 -4.717 1.099 -6.652 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -2.367 0.336 -4.877 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -3.550 -0.786 -5.518 1.00 0.00 H new ATOM 0 HG LEU A 45 -2.033 0.918 -7.479 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -0.189 -0.704 -7.497 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -0.301 0.136 -5.931 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -0.901 -1.532 -6.091 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -2.256 -1.130 -8.830 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -3.012 -1.959 -7.448 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -3.835 -0.583 -8.219 1.00 0.00 H new ATOM 724 N LYS A 46 -4.292 1.679 -3.424 1.00 0.00 N ATOM 725 CA LYS A 46 -4.983 1.707 -2.141 1.00 0.00 C ATOM 726 C LYS A 46 -6.158 2.675 -2.168 1.00 0.00 C ATOM 727 O LYS A 46 -7.183 2.442 -1.529 1.00 0.00 O ATOM 728 CB LYS A 46 -4.014 2.088 -1.019 1.00 0.00 C ATOM 729 CG LYS A 46 -4.479 1.690 0.376 1.00 0.00 C ATOM 730 CD LYS A 46 -3.780 2.513 1.447 1.00 0.00 C ATOM 731 CE LYS A 46 -4.333 3.930 1.505 1.00 0.00 C ATOM 732 NZ LYS A 46 -3.670 4.743 2.560 1.00 0.00 N ATOM 0 H LYS A 46 -3.314 1.964 -3.382 1.00 0.00 H new ATOM 0 HA LYS A 46 -5.371 0.706 -1.950 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -3.049 1.620 -1.214 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -3.856 3.166 -1.042 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -5.557 1.827 0.455 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -4.279 0.631 0.540 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -3.904 2.032 2.417 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -2.710 2.546 1.242 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -4.198 4.412 0.537 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -5.406 3.893 1.696 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -4.393 5.177 3.169 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -3.055 4.132 3.134 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -3.099 5.490 2.115 1.00 0.00 H new ATOM 746 N ASP A 47 -6.004 3.764 -2.913 1.00 0.00 N ATOM 747 CA ASP A 47 -6.986 4.842 -2.910 1.00 0.00 C ATOM 748 C ASP A 47 -8.400 4.298 -3.067 1.00 0.00 C ATOM 749 O ASP A 47 -9.332 4.763 -2.411 1.00 0.00 O ATOM 750 CB ASP A 47 -6.684 5.847 -4.022 1.00 0.00 C ATOM 751 CG ASP A 47 -7.473 7.147 -3.928 1.00 0.00 C ATOM 752 OD1 ASP A 47 -7.316 7.845 -2.954 1.00 0.00 O ATOM 753 OD2 ASP A 47 -8.104 7.507 -4.893 1.00 0.00 O ATOM 0 H ASP A 47 -5.206 3.924 -3.528 1.00 0.00 H new ATOM 0 HA ASP A 47 -6.920 5.350 -1.948 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -5.619 6.080 -4.005 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -6.892 5.379 -4.984 1.00 0.00 H new ATOM 758 N GLU A 48 -8.555 3.308 -3.941 1.00 0.00 N ATOM 759 CA GLU A 48 -9.851 2.680 -4.166 1.00 0.00 C ATOM 760 C GLU A 48 -10.337 1.958 -2.917 1.00 0.00 C ATOM 761 O GLU A 48 -11.522 2.003 -2.584 1.00 0.00 O ATOM 762 CB GLU A 48 -9.776 1.703 -5.342 1.00 0.00 C ATOM 763 CG GLU A 48 -9.605 2.367 -6.702 1.00 0.00 C ATOM 764 CD GLU A 48 -9.423 1.346 -7.790 1.00 0.00 C ATOM 765 OE1 GLU A 48 -9.364 0.180 -7.479 1.00 0.00 O ATOM 766 OE2 GLU A 48 -9.457 1.719 -8.938 1.00 0.00 O ATOM 0 H GLU A 48 -7.797 2.923 -4.505 1.00 0.00 H new ATOM 0 HA GLU A 48 -10.566 3.467 -4.405 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -8.943 1.019 -5.178 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -10.685 1.101 -5.357 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -10.477 2.983 -6.921 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -8.743 3.033 -6.678 1.00 0.00 H new ATOM 773 N ILE A 49 -9.417 1.292 -2.227 1.00 0.00 N ATOM 774 CA ILE A 49 -9.761 0.510 -1.046 1.00 0.00 C ATOM 775 C ILE A 49 -10.038 1.412 0.150 1.00 0.00 C ATOM 776 O ILE A 49 -10.950 1.153 0.935 1.00 0.00 O ATOM 777 CB ILE A 49 -8.642 -0.482 -0.680 1.00 0.00 C ATOM 778 CG1 ILE A 49 -8.348 -1.415 -1.859 1.00 0.00 C ATOM 779 CG2 ILE A 49 -9.025 -1.284 0.554 1.00 0.00 C ATOM 780 CD1 ILE A 49 -9.519 -2.285 -2.255 1.00 0.00 C ATOM 0 H ILE A 49 -8.426 1.279 -2.466 1.00 0.00 H new ATOM 0 HA ILE A 49 -10.664 -0.050 -1.292 1.00 0.00 H new ATOM 0 HB ILE A 49 -7.738 0.083 -0.455 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -8.046 -0.816 -2.718 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -7.503 -2.054 -1.603 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -8.223 -1.980 0.799 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -9.186 -0.607 1.393 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -9.941 -1.841 0.356 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -9.234 -2.918 -3.096 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -9.809 -2.911 -1.411 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -10.360 -1.654 -2.544 1.00 0.00 H new ATOM 792 N LEU A 50 -9.246 2.470 0.283 1.00 0.00 N ATOM 793 CA LEU A 50 -9.417 3.421 1.375 1.00 0.00 C ATOM 794 C LEU A 50 -10.749 4.152 1.265 1.00 0.00 C ATOM 795 O LEU A 50 -11.406 4.417 2.272 1.00 0.00 O ATOM 796 CB LEU A 50 -8.257 4.426 1.388 1.00 0.00 C ATOM 797 CG LEU A 50 -8.298 5.455 2.524 1.00 0.00 C ATOM 798 CD1 LEU A 50 -8.152 4.754 3.868 1.00 0.00 C ATOM 799 CD2 LEU A 50 -7.189 6.477 2.326 1.00 0.00 C ATOM 0 H LEU A 50 -8.479 2.691 -0.352 1.00 0.00 H new ATOM 0 HA LEU A 50 -9.415 2.865 2.312 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -7.320 3.874 1.453 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -8.248 4.958 0.437 1.00 0.00 H new ATOM 0 HG LEU A 50 -9.257 5.973 2.511 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -8.182 5.493 4.669 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -8.968 4.044 3.998 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -7.201 4.223 3.900 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -7.219 7.208 3.134 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -6.223 5.971 2.330 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -7.329 6.985 1.372 1.00 0.00 H new ATOM 811 N LYS A 51 -11.143 4.475 0.039 1.00 0.00 N ATOM 812 CA LYS A 51 -12.411 5.152 -0.206 1.00 0.00 C ATOM 813 C LYS A 51 -13.576 4.172 -0.164 1.00 0.00 C ATOM 814 O LYS A 51 -14.717 4.560 0.083 1.00 0.00 O ATOM 815 CB LYS A 51 -12.381 5.875 -1.554 1.00 0.00 C ATOM 816 CG LYS A 51 -11.469 7.094 -1.593 1.00 0.00 C ATOM 817 CD LYS A 51 -11.464 7.737 -2.972 1.00 0.00 C ATOM 818 CE LYS A 51 -10.646 9.020 -2.982 1.00 0.00 C ATOM 819 NZ LYS A 51 -10.595 9.637 -4.336 1.00 0.00 N ATOM 0 H LYS A 51 -10.601 4.279 -0.803 1.00 0.00 H new ATOM 0 HA LYS A 51 -12.555 5.886 0.587 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -12.061 5.172 -2.323 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -13.394 6.186 -1.809 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -11.799 7.822 -0.851 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -10.455 6.801 -1.322 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -11.055 7.037 -3.700 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -12.487 7.954 -3.278 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -11.076 9.730 -2.276 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -9.633 8.807 -2.642 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -10.028 10.508 -4.299 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -10.161 8.970 -5.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -11.560 9.864 -4.650 1.00 0.00 H new ATOM 833 N ALA A 52 -13.282 2.900 -0.406 1.00 0.00 N ATOM 834 CA ALA A 52 -14.296 1.854 -0.354 1.00 0.00 C ATOM 835 C ALA A 52 -14.844 1.688 1.058 1.00 0.00 C ATOM 836 O ALA A 52 -15.674 2.447 1.473 1.00 0.00 O ATOM 837 CB ALA A 52 -13.728 0.538 -0.864 1.00 0.00 C ATOM 838 OXT ALA A 52 -14.444 0.797 1.756 1.00 0.00 O ATOM 0 H ALA A 52 -12.347 2.567 -0.641 1.00 0.00 H new ATOM 0 HA ALA A 52 -15.121 2.152 -1.001 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -14.498 -0.232 -0.819 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -13.397 0.660 -1.895 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -12.882 0.242 -0.244 1.00 0.00 H new