USER MOD reduce.3.24.130724 H: found=0, std=0, add=396, rem=0, adj=7 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+ 176:sc= 0.925 (180deg=0.912) 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 170:sc= 0.0264 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= -0.0222 K(o=-0.022,f=-1.2) 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= 0.321 USER MOD Single : A 43 ASN : amide:sc= -0.0192 X(o=-0.019,f=0) USER MOD Single : A 46 LYS NZ :NH3+ -126:sc= 1.61 (180deg=-0.357) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 70 N TRP A 6 13.758 1.552 0.020 1.00 0.00 N ATOM 71 CA TRP A 6 13.560 1.541 1.465 1.00 0.00 C ATOM 72 C TRP A 6 12.406 2.448 1.870 1.00 0.00 C ATOM 73 O TRP A 6 11.592 2.091 2.722 1.00 0.00 O ATOM 74 CB TRP A 6 14.842 1.970 2.182 1.00 0.00 C ATOM 75 CG TRP A 6 15.952 0.971 2.072 1.00 0.00 C ATOM 76 CD1 TRP A 6 15.836 -0.343 1.728 1.00 0.00 C ATOM 77 CD2 TRP A 6 17.347 1.203 2.305 1.00 0.00 C ATOM 78 NE1 TRP A 6 17.070 -0.945 1.735 1.00 0.00 N ATOM 79 CE2 TRP A 6 18.015 -0.015 2.085 1.00 0.00 C ATOM 80 CE3 TRP A 6 18.095 2.326 2.679 1.00 0.00 C ATOM 81 CZ2 TRP A 6 19.388 -0.144 2.225 1.00 0.00 C ATOM 82 CZ3 TRP A 6 19.471 2.196 2.819 1.00 0.00 C ATOM 83 CH2 TRP A 6 20.100 0.996 2.597 1.00 0.00 C ATOM 0 HA TRP A 6 13.311 0.522 1.761 1.00 0.00 H new ATOM 0 HB2 TRP A 6 15.178 2.921 1.770 1.00 0.00 H new ATOM 0 HB3 TRP A 6 14.620 2.140 3.236 1.00 0.00 H new ATOM 0 HD1 TRP A 6 14.908 -0.839 1.485 1.00 0.00 H new ATOM 0 HE1 TRP A 6 17.254 -1.924 1.516 1.00 0.00 H new ATOM 0 HE3 TRP A 6 17.611 3.275 2.855 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 19.885 -1.087 2.053 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 20.057 3.056 3.108 1.00 0.00 H new ATOM 0 HH2 TRP A 6 21.172 0.933 2.713 1.00 0.00 H new ATOM 94 N LEU A 7 12.340 3.624 1.255 1.00 0.00 N ATOM 95 CA LEU A 7 11.226 4.540 1.469 1.00 0.00 C ATOM 96 C LEU A 7 9.915 3.936 0.982 1.00 0.00 C ATOM 97 O LEU A 7 8.896 4.002 1.670 1.00 0.00 O ATOM 98 CB LEU A 7 11.495 5.876 0.764 1.00 0.00 C ATOM 99 CG LEU A 7 12.755 6.617 1.228 1.00 0.00 C ATOM 100 CD1 LEU A 7 13.165 7.650 0.188 1.00 0.00 C ATOM 101 CD2 LEU A 7 12.488 7.281 2.572 1.00 0.00 C ATOM 0 H LEU A 7 13.046 3.966 0.603 1.00 0.00 H new ATOM 0 HA LEU A 7 11.135 4.718 2.540 1.00 0.00 H new ATOM 0 HB2 LEU A 7 11.574 5.694 -0.308 1.00 0.00 H new ATOM 0 HB3 LEU A 7 10.634 6.527 0.914 1.00 0.00 H new ATOM 0 HG LEU A 7 13.573 5.907 1.344 1.00 0.00 H new ATOM 0 HD11 LEU A 7 14.061 8.171 0.526 1.00 0.00 H new ATOM 0 HD12 LEU A 7 13.371 7.151 -0.759 1.00 0.00 H new ATOM 0 HD13 LEU A 7 12.357 8.369 0.051 1.00 0.00 H new ATOM 0 HD21 LEU A 7 13.383 7.808 2.902 1.00 0.00 H new ATOM 0 HD22 LEU A 7 11.667 7.990 2.471 1.00 0.00 H new ATOM 0 HD23 LEU A 7 12.223 6.521 3.307 1.00 0.00 H new ATOM 113 N LEU A 8 9.947 3.350 -0.210 1.00 0.00 N ATOM 114 CA LEU A 8 8.774 2.690 -0.771 1.00 0.00 C ATOM 115 C LEU A 8 8.348 1.503 0.084 1.00 0.00 C ATOM 116 O LEU A 8 7.157 1.269 0.289 1.00 0.00 O ATOM 117 CB LEU A 8 9.057 2.238 -2.209 1.00 0.00 C ATOM 118 CG LEU A 8 8.052 1.233 -2.788 1.00 0.00 C ATOM 119 CD1 LEU A 8 6.638 1.789 -2.682 1.00 0.00 C ATOM 120 CD2 LEU A 8 8.407 0.935 -4.235 1.00 0.00 C ATOM 0 H LEU A 8 10.774 3.319 -0.807 1.00 0.00 H new ATOM 0 HA LEU A 8 7.954 3.408 -0.781 1.00 0.00 H new ATOM 0 HB2 LEU A 8 9.078 3.118 -2.852 1.00 0.00 H new ATOM 0 HB3 LEU A 8 10.052 1.794 -2.244 1.00 0.00 H new ATOM 0 HG LEU A 8 8.097 0.305 -2.218 1.00 0.00 H new ATOM 0 HD11 LEU A 8 5.932 1.069 -3.095 1.00 0.00 H new ATOM 0 HD12 LEU A 8 6.397 1.973 -1.635 1.00 0.00 H new ATOM 0 HD13 LEU A 8 6.572 2.723 -3.240 1.00 0.00 H new ATOM 0 HD21 LEU A 8 7.693 0.221 -4.645 1.00 0.00 H new ATOM 0 HD22 LEU A 8 8.373 1.857 -4.815 1.00 0.00 H new ATOM 0 HD23 LEU A 8 9.411 0.513 -4.284 1.00 0.00 H new ATOM 132 N LYS A 9 9.329 0.756 0.580 1.00 0.00 N ATOM 133 CA LYS A 9 9.066 -0.328 1.519 1.00 0.00 C ATOM 134 C LYS A 9 8.294 0.171 2.733 1.00 0.00 C ATOM 135 O LYS A 9 7.413 -0.519 3.246 1.00 0.00 O ATOM 136 CB LYS A 9 10.376 -0.983 1.962 1.00 0.00 C ATOM 137 CG LYS A 9 10.203 -2.144 2.931 1.00 0.00 C ATOM 138 CD LYS A 9 11.544 -2.629 3.458 1.00 0.00 C ATOM 139 CE LYS A 9 12.316 -1.503 4.132 1.00 0.00 C ATOM 140 NZ LYS A 9 13.684 -1.930 4.534 1.00 0.00 N ATOM 0 H LYS A 9 10.314 0.882 0.347 1.00 0.00 H new ATOM 0 HA LYS A 9 8.454 -1.071 1.007 1.00 0.00 H new ATOM 0 HB2 LYS A 9 10.907 -1.339 1.079 1.00 0.00 H new ATOM 0 HB3 LYS A 9 11.006 -0.226 2.429 1.00 0.00 H new ATOM 0 HG2 LYS A 9 9.573 -1.834 3.765 1.00 0.00 H new ATOM 0 HG3 LYS A 9 9.688 -2.964 2.431 1.00 0.00 H new ATOM 0 HD2 LYS A 9 11.386 -3.440 4.169 1.00 0.00 H new ATOM 0 HD3 LYS A 9 12.134 -3.036 2.637 1.00 0.00 H new ATOM 0 HE2 LYS A 9 12.386 -0.654 3.453 1.00 0.00 H new ATOM 0 HE3 LYS A 9 11.769 -1.163 5.011 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 14.176 -1.135 4.989 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 13.617 -2.724 5.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 14.216 -2.230 3.692 1.00 0.00 H new ATOM 154 N GLU A 10 8.629 1.373 3.188 1.00 0.00 N ATOM 155 CA GLU A 10 7.907 2.006 4.286 1.00 0.00 C ATOM 156 C GLU A 10 6.550 2.524 3.825 1.00 0.00 C ATOM 157 O GLU A 10 5.579 2.505 4.581 1.00 0.00 O ATOM 158 CB GLU A 10 8.732 3.148 4.882 1.00 0.00 C ATOM 159 CG GLU A 10 9.970 2.699 5.644 1.00 0.00 C ATOM 160 CD GLU A 10 10.785 3.875 6.106 1.00 0.00 C ATOM 161 OE1 GLU A 10 10.421 4.984 5.794 1.00 0.00 O ATOM 162 OE2 GLU A 10 11.704 3.674 6.864 1.00 0.00 O ATOM 0 H GLU A 10 9.397 1.930 2.813 1.00 0.00 H new ATOM 0 HA GLU A 10 7.741 1.252 5.055 1.00 0.00 H new ATOM 0 HB2 GLU A 10 9.038 3.817 4.078 1.00 0.00 H new ATOM 0 HB3 GLU A 10 8.097 3.726 5.553 1.00 0.00 H new ATOM 0 HG2 GLU A 10 9.672 2.100 6.505 1.00 0.00 H new ATOM 0 HG3 GLU A 10 10.580 2.059 5.006 1.00 0.00 H new ATOM 169 N ALA A 11 6.490 2.988 2.582 1.00 0.00 N ATOM 170 CA ALA A 11 5.240 3.462 2.001 1.00 0.00 C ATOM 171 C ALA A 11 4.209 2.342 1.923 1.00 0.00 C ATOM 172 O ALA A 11 3.024 2.557 2.181 1.00 0.00 O ATOM 173 CB ALA A 11 5.488 4.054 0.622 1.00 0.00 C ATOM 0 H ALA A 11 7.294 3.046 1.957 1.00 0.00 H new ATOM 0 HA ALA A 11 4.840 4.241 2.650 1.00 0.00 H new ATOM 0 HB1 ALA A 11 4.545 4.403 0.201 1.00 0.00 H new ATOM 0 HB2 ALA A 11 6.181 4.891 0.705 1.00 0.00 H new ATOM 0 HB3 ALA A 11 5.916 3.292 -0.030 1.00 0.00 H new ATOM 179 N LYS A 12 4.667 1.147 1.566 1.00 0.00 N ATOM 180 CA LYS A 12 3.782 -0.005 1.438 1.00 0.00 C ATOM 181 C LYS A 12 3.181 -0.390 2.783 1.00 0.00 C ATOM 182 O LYS A 12 1.979 -0.633 2.890 1.00 0.00 O ATOM 183 CB LYS A 12 4.534 -1.193 0.837 1.00 0.00 C ATOM 184 CG LYS A 12 4.973 -0.996 -0.608 1.00 0.00 C ATOM 185 CD LYS A 12 6.113 -1.935 -0.974 1.00 0.00 C ATOM 186 CE LYS A 12 6.468 -1.826 -2.450 1.00 0.00 C ATOM 187 NZ LYS A 12 7.487 -2.832 -2.852 1.00 0.00 N ATOM 0 H LYS A 12 5.647 0.951 1.360 1.00 0.00 H new ATOM 0 HA LYS A 12 2.967 0.273 0.769 1.00 0.00 H new ATOM 0 HB2 LYS A 12 5.415 -1.396 1.447 1.00 0.00 H new ATOM 0 HB3 LYS A 12 3.897 -2.076 0.893 1.00 0.00 H new ATOM 0 HG2 LYS A 12 4.128 -1.170 -1.274 1.00 0.00 H new ATOM 0 HG3 LYS A 12 5.288 0.037 -0.757 1.00 0.00 H new ATOM 0 HD2 LYS A 12 6.989 -1.700 -0.369 1.00 0.00 H new ATOM 0 HD3 LYS A 12 5.830 -2.962 -0.741 1.00 0.00 H new ATOM 0 HE2 LYS A 12 5.568 -1.961 -3.050 1.00 0.00 H new ATOM 0 HE3 LYS A 12 6.844 -0.825 -2.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 7.701 -2.724 -3.864 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 8.355 -2.688 -2.297 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 7.119 -3.789 -2.676 1.00 0.00 H new ATOM 201 N GLU A 13 4.025 -0.447 3.807 1.00 0.00 N ATOM 202 CA GLU A 13 3.585 -0.840 5.141 1.00 0.00 C ATOM 203 C GLU A 13 2.704 0.233 5.769 1.00 0.00 C ATOM 204 O GLU A 13 1.663 -0.068 6.352 1.00 0.00 O ATOM 205 CB GLU A 13 4.790 -1.123 6.041 1.00 0.00 C ATOM 206 CG GLU A 13 5.572 -2.374 5.669 1.00 0.00 C ATOM 207 CD GLU A 13 6.800 -2.526 6.524 1.00 0.00 C ATOM 208 OE1 GLU A 13 7.054 -1.659 7.324 1.00 0.00 O ATOM 209 OE2 GLU A 13 7.422 -3.560 6.456 1.00 0.00 O ATOM 0 H GLU A 13 5.018 -0.226 3.739 1.00 0.00 H new ATOM 0 HA GLU A 13 2.995 -1.751 5.042 1.00 0.00 H new ATOM 0 HB2 GLU A 13 5.462 -0.266 6.008 1.00 0.00 H new ATOM 0 HB3 GLU A 13 4.445 -1.218 7.071 1.00 0.00 H new ATOM 0 HG2 GLU A 13 4.935 -3.251 5.784 1.00 0.00 H new ATOM 0 HG3 GLU A 13 5.861 -2.326 4.619 1.00 0.00 H new ATOM 216 N LYS A 14 3.128 1.487 5.645 1.00 0.00 N ATOM 217 CA LYS A 14 2.480 2.587 6.347 1.00 0.00 C ATOM 218 C LYS A 14 1.075 2.831 5.812 1.00 0.00 C ATOM 219 O LYS A 14 0.156 3.139 6.571 1.00 0.00 O ATOM 220 CB LYS A 14 3.316 3.863 6.231 1.00 0.00 C ATOM 221 CG LYS A 14 4.559 3.884 7.110 1.00 0.00 C ATOM 222 CD LYS A 14 5.349 5.169 6.921 1.00 0.00 C ATOM 223 CE LYS A 14 4.511 6.392 7.266 1.00 0.00 C ATOM 224 NZ LYS A 14 5.219 7.660 6.945 1.00 0.00 N ATOM 0 H LYS A 14 3.919 1.766 5.064 1.00 0.00 H new ATOM 0 HA LYS A 14 2.400 2.310 7.398 1.00 0.00 H new ATOM 0 HB2 LYS A 14 3.619 3.991 5.192 1.00 0.00 H new ATOM 0 HB3 LYS A 14 2.690 4.717 6.488 1.00 0.00 H new ATOM 0 HG2 LYS A 14 4.269 3.784 8.156 1.00 0.00 H new ATOM 0 HG3 LYS A 14 5.190 3.028 6.871 1.00 0.00 H new ATOM 0 HD2 LYS A 14 6.239 5.147 7.550 1.00 0.00 H new ATOM 0 HD3 LYS A 14 5.690 5.239 5.888 1.00 0.00 H new ATOM 0 HE2 LYS A 14 3.570 6.353 6.718 1.00 0.00 H new ATOM 0 HE3 LYS A 14 4.263 6.374 8.327 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 4.614 8.468 7.195 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 6.105 7.710 7.487 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 5.434 7.690 5.928 1.00 0.00 H new ATOM 238 N ALA A 15 0.914 2.692 4.501 1.00 0.00 N ATOM 239 CA ALA A 15 -0.323 3.082 3.835 1.00 0.00 C ATOM 240 C ALA A 15 -1.483 2.191 4.258 1.00 0.00 C ATOM 241 O ALA A 15 -2.591 2.670 4.497 1.00 0.00 O ATOM 242 CB ALA A 15 -0.145 3.044 2.324 1.00 0.00 C ATOM 0 H ALA A 15 1.626 2.312 3.877 1.00 0.00 H new ATOM 0 HA ALA A 15 -0.560 4.103 4.135 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -1.077 3.338 1.840 1.00 0.00 H new ATOM 0 HB2 ALA A 15 0.648 3.734 2.034 1.00 0.00 H new ATOM 0 HB3 ALA A 15 0.122 2.034 2.014 1.00 0.00 H new ATOM 248 N ILE A 16 -1.221 0.892 4.350 1.00 0.00 N ATOM 249 CA ILE A 16 -2.277 -0.089 4.572 1.00 0.00 C ATOM 250 C ILE A 16 -2.772 -0.050 6.011 1.00 0.00 C ATOM 251 O ILE A 16 -3.896 -0.459 6.303 1.00 0.00 O ATOM 252 CB ILE A 16 -1.803 -1.516 4.240 1.00 0.00 C ATOM 253 CG1 ILE A 16 -1.234 -1.572 2.820 1.00 0.00 C ATOM 254 CG2 ILE A 16 -2.945 -2.506 4.399 1.00 0.00 C ATOM 255 CD1 ILE A 16 -2.071 -0.839 1.797 1.00 0.00 C ATOM 0 H ILE A 16 -0.285 0.493 4.274 1.00 0.00 H new ATOM 0 HA ILE A 16 -3.096 0.176 3.903 1.00 0.00 H new ATOM 0 HB ILE A 16 -1.012 -1.790 4.938 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -0.230 -1.149 2.824 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -1.139 -2.615 2.518 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -2.593 -3.509 4.160 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -3.306 -2.483 5.427 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -3.757 -2.237 3.723 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -1.603 -0.924 0.816 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -3.069 -1.276 1.762 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -2.145 0.213 2.074 1.00 0.00 H new ATOM 267 N GLU A 17 -1.926 0.442 6.910 1.00 0.00 N ATOM 268 CA GLU A 17 -2.300 0.597 8.311 1.00 0.00 C ATOM 269 C GLU A 17 -3.654 1.280 8.447 1.00 0.00 C ATOM 270 O GLU A 17 -4.434 0.959 9.345 1.00 0.00 O ATOM 271 CB GLU A 17 -1.231 1.391 9.066 1.00 0.00 C ATOM 272 CG GLU A 17 0.063 0.628 9.312 1.00 0.00 C ATOM 273 CD GLU A 17 -0.175 -0.595 10.153 1.00 0.00 C ATOM 274 OE1 GLU A 17 -0.789 -0.472 11.186 1.00 0.00 O ATOM 275 OE2 GLU A 17 0.158 -1.670 9.712 1.00 0.00 O ATOM 0 H GLU A 17 -0.975 0.741 6.693 1.00 0.00 H new ATOM 0 HA GLU A 17 -2.376 -0.399 8.748 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -1.003 2.296 8.503 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -1.640 1.707 10.026 1.00 0.00 H new ATOM 0 HG2 GLU A 17 0.502 0.336 8.358 1.00 0.00 H new ATOM 0 HG3 GLU A 17 0.783 1.279 9.809 1.00 0.00 H new ATOM 282 N GLU A 18 -3.928 2.224 7.554 1.00 0.00 N ATOM 283 CA GLU A 18 -5.229 2.881 7.507 1.00 0.00 C ATOM 284 C GLU A 18 -6.329 1.896 7.132 1.00 0.00 C ATOM 285 O GLU A 18 -7.427 1.936 7.689 1.00 0.00 O ATOM 286 CB GLU A 18 -5.206 4.046 6.516 1.00 0.00 C ATOM 287 CG GLU A 18 -4.323 5.212 6.937 1.00 0.00 C ATOM 288 CD GLU A 18 -4.223 6.243 5.848 1.00 0.00 C ATOM 289 OE1 GLU A 18 -4.729 6.001 4.778 1.00 0.00 O ATOM 290 OE2 GLU A 18 -3.742 7.319 6.117 1.00 0.00 O ATOM 0 H GLU A 18 -3.265 2.552 6.851 1.00 0.00 H new ATOM 0 HA GLU A 18 -5.443 3.269 8.503 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -4.864 3.678 5.549 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -6.224 4.409 6.377 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -4.728 5.671 7.839 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -3.327 4.845 7.186 1.00 0.00 H new ATOM 297 N LEU A 19 -6.030 1.014 6.186 1.00 0.00 N ATOM 298 CA LEU A 19 -6.979 -0.011 5.766 1.00 0.00 C ATOM 299 C LEU A 19 -7.287 -0.975 6.903 1.00 0.00 C ATOM 300 O LEU A 19 -8.426 -1.414 7.067 1.00 0.00 O ATOM 301 CB LEU A 19 -6.432 -0.774 4.553 1.00 0.00 C ATOM 302 CG LEU A 19 -6.918 -0.267 3.189 1.00 0.00 C ATOM 303 CD1 LEU A 19 -6.993 1.253 3.194 1.00 0.00 C ATOM 304 CD2 LEU A 19 -5.976 -0.757 2.099 1.00 0.00 C ATOM 0 H LEU A 19 -5.137 0.988 5.694 1.00 0.00 H new ATOM 0 HA LEU A 19 -7.909 0.483 5.484 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -5.343 -0.725 4.574 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -6.706 -1.824 4.651 1.00 0.00 H new ATOM 0 HG LEU A 19 -7.916 -0.657 2.991 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -7.339 1.603 2.222 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -7.689 1.580 3.966 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -6.005 1.665 3.398 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -6.322 -0.397 1.130 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -4.971 -0.379 2.289 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -5.959 -1.847 2.096 1.00 0.00 H new ATOM 316 N LYS A 20 -6.266 -1.303 7.688 1.00 0.00 N ATOM 317 CA LYS A 20 -6.447 -2.131 8.874 1.00 0.00 C ATOM 318 C LYS A 20 -7.395 -1.472 9.868 1.00 0.00 C ATOM 319 O LYS A 20 -8.218 -2.140 10.493 1.00 0.00 O ATOM 320 CB LYS A 20 -5.099 -2.412 9.541 1.00 0.00 C ATOM 321 CG LYS A 20 -4.126 -3.208 8.681 1.00 0.00 C ATOM 322 CD LYS A 20 -2.857 -3.544 9.449 1.00 0.00 C ATOM 323 CE LYS A 20 -1.829 -4.219 8.553 1.00 0.00 C ATOM 324 NZ LYS A 20 -0.533 -4.431 9.253 1.00 0.00 N ATOM 0 H LYS A 20 -5.304 -1.007 7.524 1.00 0.00 H new ATOM 0 HA LYS A 20 -6.890 -3.075 8.556 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -4.635 -1.463 9.809 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -5.273 -2.956 10.470 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -4.604 -4.128 8.344 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -3.873 -2.635 7.789 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -2.433 -2.633 9.870 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -3.099 -4.199 10.286 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -2.219 -5.179 8.213 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -1.666 -3.609 7.665 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 0.116 -4.953 8.631 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -0.115 -3.510 9.495 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -0.694 -4.978 10.123 1.00 0.00 H new ATOM 338 N LYS A 21 -7.275 -0.155 10.008 1.00 0.00 N ATOM 339 CA LYS A 21 -8.203 0.615 10.827 1.00 0.00 C ATOM 340 C LYS A 21 -9.587 0.663 10.192 1.00 0.00 C ATOM 341 O LYS A 21 -10.594 0.799 10.886 1.00 0.00 O ATOM 342 CB LYS A 21 -7.674 2.034 11.044 1.00 0.00 C ATOM 343 CG LYS A 21 -6.462 2.119 11.962 1.00 0.00 C ATOM 344 CD LYS A 21 -5.946 3.547 12.066 1.00 0.00 C ATOM 345 CE LYS A 21 -4.698 3.624 12.934 1.00 0.00 C ATOM 346 NZ LYS A 21 -4.140 5.002 12.984 1.00 0.00 N ATOM 0 H LYS A 21 -6.544 0.401 9.564 1.00 0.00 H new ATOM 0 HA LYS A 21 -8.288 0.118 11.793 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -7.413 2.463 10.077 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -8.473 2.647 11.460 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -6.728 1.753 12.954 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -5.671 1.471 11.585 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -5.722 3.928 11.070 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -6.723 4.187 12.485 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -4.938 3.293 13.944 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -3.943 2.941 12.545 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -3.291 5.011 13.585 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -3.887 5.309 12.023 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -4.851 5.650 13.379 1.00 0.00 H new ATOM 360 N ALA A 22 -9.630 0.553 8.869 1.00 0.00 N ATOM 361 CA ALA A 22 -10.881 0.675 8.130 1.00 0.00 C ATOM 362 C ALA A 22 -11.630 -0.650 8.092 1.00 0.00 C ATOM 363 O ALA A 22 -12.764 -0.720 7.620 1.00 0.00 O ATOM 364 CB ALA A 22 -10.616 1.179 6.719 1.00 0.00 C ATOM 0 H ALA A 22 -8.812 0.379 8.286 1.00 0.00 H new ATOM 0 HA ALA A 22 -11.509 1.399 8.648 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -11.560 1.265 6.180 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -10.135 2.156 6.766 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -9.963 0.478 6.199 1.00 0.00 H new ATOM 370 N GLY A 23 -10.988 -1.701 8.593 1.00 0.00 N ATOM 371 CA GLY A 23 -11.616 -3.015 8.671 1.00 0.00 C ATOM 372 C GLY A 23 -11.370 -3.819 7.401 1.00 0.00 C ATOM 373 O GLY A 23 -12.076 -4.788 7.122 1.00 0.00 O ATOM 0 H GLY A 23 -10.033 -1.668 8.951 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -11.223 -3.558 9.530 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -12.688 -2.900 8.830 1.00 0.00 H new ATOM 377 N ILE A 24 -10.365 -3.411 6.633 1.00 0.00 N ATOM 378 CA ILE A 24 -10.003 -4.113 5.408 1.00 0.00 C ATOM 379 C ILE A 24 -9.028 -5.249 5.693 1.00 0.00 C ATOM 380 O ILE A 24 -7.999 -5.050 6.337 1.00 0.00 O ATOM 381 CB ILE A 24 -9.378 -3.160 4.374 1.00 0.00 C ATOM 382 CG1 ILE A 24 -10.340 -2.012 4.057 1.00 0.00 C ATOM 383 CG2 ILE A 24 -9.010 -3.917 3.107 1.00 0.00 C ATOM 384 CD1 ILE A 24 -11.641 -2.461 3.432 1.00 0.00 C ATOM 0 H ILE A 24 -9.786 -2.597 6.838 1.00 0.00 H new ATOM 0 HA ILE A 24 -10.925 -4.524 4.997 1.00 0.00 H new ATOM 0 HB ILE A 24 -8.467 -2.738 4.797 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -10.558 -1.469 4.976 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -9.846 -1.312 3.383 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -8.569 -3.228 2.386 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -8.291 -4.700 3.347 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -9.906 -4.366 2.678 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -12.270 -1.592 3.237 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -11.435 -2.978 2.495 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -12.158 -3.137 4.113 1.00 0.00 H new ATOM 396 N THR A 25 -9.359 -6.442 5.207 1.00 0.00 N ATOM 397 CA THR A 25 -8.547 -7.625 5.465 1.00 0.00 C ATOM 398 C THR A 25 -8.084 -8.267 4.164 1.00 0.00 C ATOM 399 O THR A 25 -7.239 -9.162 4.169 1.00 0.00 O ATOM 400 CB THR A 25 -9.316 -8.669 6.296 1.00 0.00 C ATOM 401 OG1 THR A 25 -10.477 -9.098 5.572 1.00 0.00 O ATOM 402 CG2 THR A 25 -9.744 -8.078 7.630 1.00 0.00 C ATOM 0 H THR A 25 -10.184 -6.614 4.632 1.00 0.00 H new ATOM 0 HA THR A 25 -7.678 -7.292 6.033 1.00 0.00 H new ATOM 0 HB THR A 25 -8.660 -9.520 6.481 1.00 0.00 H new ATOM 0 HG1 THR A 25 -10.965 -9.764 6.101 1.00 0.00 H new ATOM 0 HG21 THR A 25 -10.286 -8.830 8.204 1.00 0.00 H new ATOM 0 HG22 THR A 25 -8.862 -7.762 8.188 1.00 0.00 H new ATOM 0 HG23 THR A 25 -10.391 -7.218 7.456 1.00 0.00 H new ATOM 410 N SER A 26 -8.643 -7.806 3.050 1.00 0.00 N ATOM 411 CA SER A 26 -8.340 -8.382 1.744 1.00 0.00 C ATOM 412 C SER A 26 -6.844 -8.336 1.456 1.00 0.00 C ATOM 413 O SER A 26 -6.285 -7.271 1.197 1.00 0.00 O ATOM 414 CB SER A 26 -9.109 -7.654 0.661 1.00 0.00 C ATOM 415 OG SER A 26 -8.843 -8.171 -0.614 1.00 0.00 O ATOM 0 H SER A 26 -9.309 -7.034 3.025 1.00 0.00 H new ATOM 0 HA SER A 26 -8.647 -9.428 1.754 1.00 0.00 H new ATOM 0 HB2 SER A 26 -10.177 -7.726 0.865 1.00 0.00 H new ATOM 0 HB3 SER A 26 -8.851 -6.595 0.683 1.00 0.00 H new ATOM 0 HG SER A 26 -9.472 -7.788 -1.260 1.00 0.00 H new ATOM 421 N ASP A 27 -6.202 -9.498 1.504 1.00 0.00 N ATOM 422 CA ASP A 27 -4.785 -9.603 1.177 1.00 0.00 C ATOM 423 C ASP A 27 -4.555 -9.477 -0.324 1.00 0.00 C ATOM 424 O ASP A 27 -3.450 -9.164 -0.768 1.00 0.00 O ATOM 425 CB ASP A 27 -4.214 -10.929 1.686 1.00 0.00 C ATOM 426 CG ASP A 27 -4.044 -11.002 3.198 1.00 0.00 C ATOM 427 OD1 ASP A 27 -4.125 -9.978 3.835 1.00 0.00 O ATOM 428 OD2 ASP A 27 -3.993 -12.090 3.718 1.00 0.00 O ATOM 0 H ASP A 27 -6.641 -10.381 1.766 1.00 0.00 H new ATOM 0 HA ASP A 27 -4.268 -8.781 1.672 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -4.870 -11.739 1.367 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -3.246 -11.098 1.215 1.00 0.00 H new ATOM 433 N TYR A 28 -5.605 -9.723 -1.101 1.00 0.00 N ATOM 434 CA TYR A 28 -5.531 -9.592 -2.550 1.00 0.00 C ATOM 435 C TYR A 28 -5.037 -8.209 -2.956 1.00 0.00 C ATOM 436 O TYR A 28 -4.049 -8.079 -3.677 1.00 0.00 O ATOM 437 CB TYR A 28 -6.898 -9.867 -3.183 1.00 0.00 C ATOM 438 CG TYR A 28 -6.933 -9.659 -4.681 1.00 0.00 C ATOM 439 CD1 TYR A 28 -6.467 -10.637 -5.548 1.00 0.00 C ATOM 440 CD2 TYR A 28 -7.435 -8.486 -5.224 1.00 0.00 C ATOM 441 CE1 TYR A 28 -6.497 -10.453 -6.916 1.00 0.00 C ATOM 442 CE2 TYR A 28 -7.471 -8.290 -6.591 1.00 0.00 C ATOM 443 CZ TYR A 28 -7.000 -9.277 -7.434 1.00 0.00 C ATOM 444 OH TYR A 28 -7.034 -9.088 -8.797 1.00 0.00 O ATOM 0 H TYR A 28 -6.517 -10.014 -0.750 1.00 0.00 H new ATOM 0 HA TYR A 28 -4.815 -10.329 -2.914 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -7.190 -10.894 -2.962 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -7.640 -9.217 -2.718 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -6.074 -11.559 -5.145 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -7.804 -7.712 -4.567 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -6.129 -11.224 -7.576 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -7.865 -7.370 -6.998 1.00 0.00 H new ATOM 0 HH TYR A 28 -7.418 -8.209 -8.996 1.00 0.00 H new ATOM 454 N TYR A 29 -5.731 -7.177 -2.484 1.00 0.00 N ATOM 455 CA TYR A 29 -5.390 -5.803 -2.830 1.00 0.00 C ATOM 456 C TYR A 29 -4.116 -5.357 -2.123 1.00 0.00 C ATOM 457 O TYR A 29 -3.380 -4.509 -2.626 1.00 0.00 O ATOM 458 CB TYR A 29 -6.543 -4.861 -2.479 1.00 0.00 C ATOM 459 CG TYR A 29 -7.793 -5.091 -3.299 1.00 0.00 C ATOM 460 CD1 TYR A 29 -7.825 -4.778 -4.650 1.00 0.00 C ATOM 461 CD2 TYR A 29 -8.939 -5.618 -2.719 1.00 0.00 C ATOM 462 CE1 TYR A 29 -8.965 -4.986 -5.403 1.00 0.00 C ATOM 463 CE2 TYR A 29 -10.083 -5.830 -3.463 1.00 0.00 C ATOM 464 CZ TYR A 29 -10.092 -5.512 -4.806 1.00 0.00 C ATOM 465 OH TYR A 29 -11.229 -5.720 -5.552 1.00 0.00 O ATOM 0 H TYR A 29 -6.533 -7.268 -1.861 1.00 0.00 H new ATOM 0 HA TYR A 29 -5.215 -5.763 -3.905 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -6.786 -4.978 -1.423 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -6.213 -3.831 -2.618 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -6.945 -4.365 -5.121 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -8.936 -5.866 -1.668 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -8.974 -4.738 -6.454 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -10.966 -6.242 -2.997 1.00 0.00 H new ATOM 0 HH TYR A 29 -11.931 -6.096 -4.981 1.00 0.00 H new ATOM 475 N PHE A 30 -3.863 -5.933 -0.953 1.00 0.00 N ATOM 476 CA PHE A 30 -2.610 -5.705 -0.242 1.00 0.00 C ATOM 477 C PHE A 30 -1.420 -6.207 -1.048 1.00 0.00 C ATOM 478 O PHE A 30 -0.303 -5.712 -0.897 1.00 0.00 O ATOM 479 CB PHE A 30 -2.642 -6.385 1.128 1.00 0.00 C ATOM 480 CG PHE A 30 -3.675 -5.820 2.062 1.00 0.00 C ATOM 481 CD1 PHE A 30 -4.618 -4.910 1.609 1.00 0.00 C ATOM 482 CD2 PHE A 30 -3.706 -6.199 3.396 1.00 0.00 C ATOM 483 CE1 PHE A 30 -5.567 -4.389 2.465 1.00 0.00 C ATOM 484 CE2 PHE A 30 -4.656 -5.679 4.255 1.00 0.00 C ATOM 485 CZ PHE A 30 -5.586 -4.774 3.791 1.00 0.00 C ATOM 0 H PHE A 30 -4.509 -6.562 -0.476 1.00 0.00 H new ATOM 0 HA PHE A 30 -2.496 -4.630 -0.102 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -2.833 -7.449 0.991 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -1.659 -6.295 1.591 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -4.610 -4.605 0.573 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -2.980 -6.908 3.767 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -6.295 -3.680 2.098 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -4.669 -5.982 5.291 1.00 0.00 H new ATOM 0 HZ PHE A 30 -6.328 -4.367 4.463 1.00 0.00 H new ATOM 495 N ASP A 31 -1.665 -7.192 -1.905 1.00 0.00 N ATOM 496 CA ASP A 31 -0.637 -7.695 -2.808 1.00 0.00 C ATOM 497 C ASP A 31 -0.295 -6.668 -3.881 1.00 0.00 C ATOM 498 O ASP A 31 0.854 -6.559 -4.305 1.00 0.00 O ATOM 499 CB ASP A 31 -1.089 -9.004 -3.459 1.00 0.00 C ATOM 500 CG ASP A 31 0.007 -9.741 -4.218 1.00 0.00 C ATOM 501 OD1 ASP A 31 0.981 -10.111 -3.605 1.00 0.00 O ATOM 502 OD2 ASP A 31 -0.205 -10.065 -5.361 1.00 0.00 O ATOM 0 H ASP A 31 -2.568 -7.658 -1.993 1.00 0.00 H new ATOM 0 HA ASP A 31 0.260 -7.884 -2.218 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -1.484 -9.663 -2.686 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -1.909 -8.790 -4.145 1.00 0.00 H new ATOM 507 N LEU A 32 -1.302 -5.917 -4.315 1.00 0.00 N ATOM 508 CA LEU A 32 -1.149 -5.014 -5.450 1.00 0.00 C ATOM 509 C LEU A 32 -0.145 -3.910 -5.144 1.00 0.00 C ATOM 510 O LEU A 32 0.601 -3.475 -6.021 1.00 0.00 O ATOM 511 CB LEU A 32 -2.506 -4.410 -5.832 1.00 0.00 C ATOM 512 CG LEU A 32 -3.292 -5.190 -6.894 1.00 0.00 C ATOM 513 CD1 LEU A 32 -3.560 -6.608 -6.408 1.00 0.00 C ATOM 514 CD2 LEU A 32 -4.597 -4.469 -7.194 1.00 0.00 C ATOM 0 H LEU A 32 -2.233 -5.916 -3.898 1.00 0.00 H new ATOM 0 HA LEU A 32 -0.767 -5.590 -6.293 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -3.118 -4.334 -4.933 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -2.345 -3.395 -6.195 1.00 0.00 H new ATOM 0 HG LEU A 32 -2.705 -5.248 -7.810 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -4.118 -7.154 -7.169 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -2.613 -7.114 -6.221 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -4.141 -6.573 -5.486 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -5.154 -5.024 -7.949 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -5.191 -4.398 -6.283 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -4.382 -3.467 -7.566 1.00 0.00 H new ATOM 526 N ILE A 33 -0.132 -3.459 -3.894 1.00 0.00 N ATOM 527 CA ILE A 33 0.806 -2.431 -3.460 1.00 0.00 C ATOM 528 C ILE A 33 2.229 -2.974 -3.398 1.00 0.00 C ATOM 529 O ILE A 33 3.195 -2.212 -3.416 1.00 0.00 O ATOM 530 CB ILE A 33 0.424 -1.862 -2.081 1.00 0.00 C ATOM 531 CG1 ILE A 33 0.447 -2.968 -1.022 1.00 0.00 C ATOM 532 CG2 ILE A 33 -0.946 -1.204 -2.139 1.00 0.00 C ATOM 533 CD1 ILE A 33 0.942 -2.509 0.330 1.00 0.00 C ATOM 0 H ILE A 33 -0.762 -3.790 -3.163 1.00 0.00 H new ATOM 0 HA ILE A 33 0.757 -1.631 -4.198 1.00 0.00 H new ATOM 0 HB ILE A 33 1.157 -1.105 -1.803 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -0.559 -3.373 -0.912 1.00 0.00 H new ATOM 0 HG13 ILE A 33 1.082 -3.781 -1.374 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -1.201 -0.807 -1.156 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -0.929 -0.391 -2.865 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -1.691 -1.941 -2.437 1.00 0.00 H new ATOM 0 HD11 ILE A 33 0.929 -3.348 1.026 1.00 0.00 H new ATOM 0 HD12 ILE A 33 1.960 -2.131 0.236 1.00 0.00 H new ATOM 0 HD13 ILE A 33 0.294 -1.717 0.705 1.00 0.00 H new ATOM 545 N ASN A 34 2.349 -4.295 -3.327 1.00 0.00 N ATOM 546 CA ASN A 34 3.647 -4.951 -3.424 1.00 0.00 C ATOM 547 C ASN A 34 4.131 -5.004 -4.867 1.00 0.00 C ATOM 548 O ASN A 34 5.327 -4.888 -5.136 1.00 0.00 O ATOM 549 CB ASN A 34 3.608 -6.349 -2.833 1.00 0.00 C ATOM 550 CG ASN A 34 3.472 -6.369 -1.336 1.00 0.00 C ATOM 551 OD1 ASN A 34 3.845 -5.413 -0.645 1.00 0.00 O ATOM 552 ND2 ASN A 34 3.018 -7.485 -0.825 1.00 0.00 N ATOM 0 H ASN A 34 1.563 -4.933 -3.203 1.00 0.00 H new ATOM 0 HA ASN A 34 4.352 -4.355 -2.844 1.00 0.00 H new ATOM 0 HB2 ASN A 34 2.774 -6.896 -3.272 1.00 0.00 H new ATOM 0 HB3 ASN A 34 4.519 -6.878 -3.113 1.00 0.00 H new ATOM 0 HD21 ASN A 34 2.959 -7.596 0.187 1.00 0.00 H new ATOM 0 HD22 ASN A 34 2.723 -8.244 -1.439 1.00 0.00 H new ATOM 559 N LYS A 35 3.195 -5.179 -5.794 1.00 0.00 N ATOM 560 CA LYS A 35 3.478 -5.001 -7.213 1.00 0.00 C ATOM 561 C LYS A 35 3.790 -3.544 -7.534 1.00 0.00 C ATOM 562 O LYS A 35 4.415 -3.243 -8.550 1.00 0.00 O ATOM 563 CB LYS A 35 2.300 -5.485 -8.059 1.00 0.00 C ATOM 564 CG LYS A 35 2.131 -6.997 -8.096 1.00 0.00 C ATOM 565 CD LYS A 35 0.943 -7.402 -8.955 1.00 0.00 C ATOM 566 CE LYS A 35 0.789 -8.914 -9.013 1.00 0.00 C ATOM 567 NZ LYS A 35 -0.369 -9.324 -9.853 1.00 0.00 N ATOM 0 H LYS A 35 2.232 -5.444 -5.587 1.00 0.00 H new ATOM 0 HA LYS A 35 4.357 -5.599 -7.455 1.00 0.00 H new ATOM 0 HB2 LYS A 35 1.384 -5.039 -7.673 1.00 0.00 H new ATOM 0 HB3 LYS A 35 2.427 -5.121 -9.079 1.00 0.00 H new ATOM 0 HG2 LYS A 35 3.039 -7.457 -8.488 1.00 0.00 H new ATOM 0 HG3 LYS A 35 1.994 -7.374 -7.083 1.00 0.00 H new ATOM 0 HD2 LYS A 35 0.033 -6.957 -8.552 1.00 0.00 H new ATOM 0 HD3 LYS A 35 1.071 -7.009 -9.964 1.00 0.00 H new ATOM 0 HE2 LYS A 35 1.702 -9.356 -9.413 1.00 0.00 H new ATOM 0 HE3 LYS A 35 0.661 -9.305 -8.003 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -0.438 -10.362 -9.866 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -1.244 -8.923 -9.458 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -0.235 -8.974 -10.823 1.00 0.00 H new ATOM 581 N ALA A 36 3.350 -2.645 -6.661 1.00 0.00 N ATOM 582 CA ALA A 36 3.513 -1.213 -6.888 1.00 0.00 C ATOM 583 C ALA A 36 4.965 -0.789 -6.709 1.00 0.00 C ATOM 584 O ALA A 36 5.316 -0.145 -5.720 1.00 0.00 O ATOM 585 CB ALA A 36 2.607 -0.423 -5.955 1.00 0.00 C ATOM 0 H ALA A 36 2.877 -2.882 -5.789 1.00 0.00 H new ATOM 0 HA ALA A 36 3.227 -0.999 -7.918 1.00 0.00 H new ATOM 0 HB1 ALA A 36 2.740 0.644 -6.136 1.00 0.00 H new ATOM 0 HB2 ALA A 36 1.568 -0.696 -6.139 1.00 0.00 H new ATOM 0 HB3 ALA A 36 2.864 -0.650 -4.920 1.00 0.00 H new ATOM 591 N LYS A 37 5.806 -1.153 -7.671 1.00 0.00 N ATOM 592 CA LYS A 37 7.227 -0.837 -7.607 1.00 0.00 C ATOM 593 C LYS A 37 7.456 0.668 -7.568 1.00 0.00 C ATOM 594 O LYS A 37 8.587 1.130 -7.421 1.00 0.00 O ATOM 595 CB LYS A 37 7.967 -1.452 -8.796 1.00 0.00 C ATOM 596 CG LYS A 37 9.484 -1.446 -8.664 1.00 0.00 C ATOM 597 CD LYS A 37 10.141 -2.219 -9.798 1.00 0.00 C ATOM 598 CE LYS A 37 11.646 -2.320 -9.601 1.00 0.00 C ATOM 599 NZ LYS A 37 12.294 -3.130 -10.669 1.00 0.00 N ATOM 0 H LYS A 37 5.527 -1.668 -8.506 1.00 0.00 H new ATOM 0 HA LYS A 37 7.622 -1.265 -6.686 1.00 0.00 H new ATOM 0 HB2 LYS A 37 7.630 -2.480 -8.926 1.00 0.00 H new ATOM 0 HB3 LYS A 37 7.691 -0.910 -9.700 1.00 0.00 H new ATOM 0 HG2 LYS A 37 9.847 -0.418 -8.664 1.00 0.00 H new ATOM 0 HG3 LYS A 37 9.770 -1.885 -7.708 1.00 0.00 H new ATOM 0 HD2 LYS A 37 9.712 -3.219 -9.855 1.00 0.00 H new ATOM 0 HD3 LYS A 37 9.929 -1.727 -10.747 1.00 0.00 H new ATOM 0 HE2 LYS A 37 12.079 -1.320 -9.592 1.00 0.00 H new ATOM 0 HE3 LYS A 37 11.855 -2.767 -8.629 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 13.319 -3.174 -10.498 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 11.900 -4.092 -10.662 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 12.116 -2.690 -11.594 1.00 0.00 H new ATOM 613 N THR A 38 6.375 1.429 -7.701 1.00 0.00 N ATOM 614 CA THR A 38 6.418 2.869 -7.472 1.00 0.00 C ATOM 615 C THR A 38 5.654 3.249 -6.211 1.00 0.00 C ATOM 616 O THR A 38 4.723 2.555 -5.805 1.00 0.00 O ATOM 617 CB THR A 38 5.838 3.649 -8.666 1.00 0.00 C ATOM 618 OG1 THR A 38 4.432 3.393 -8.771 1.00 0.00 O ATOM 619 CG2 THR A 38 6.523 3.232 -9.959 1.00 0.00 C ATOM 0 H THR A 38 5.457 1.072 -7.967 1.00 0.00 H new ATOM 0 HA THR A 38 7.468 3.136 -7.351 1.00 0.00 H new ATOM 0 HB THR A 38 6.009 4.713 -8.502 1.00 0.00 H new ATOM 0 HG1 THR A 38 4.065 3.892 -9.530 1.00 0.00 H new ATOM 0 HG21 THR A 38 6.100 3.794 -10.792 1.00 0.00 H new ATOM 0 HG22 THR A 38 7.591 3.438 -9.888 1.00 0.00 H new ATOM 0 HG23 THR A 38 6.369 2.166 -10.125 1.00 0.00 H new ATOM 627 N VAL A 39 6.053 4.356 -5.594 1.00 0.00 N ATOM 628 CA VAL A 39 5.344 4.887 -4.436 1.00 0.00 C ATOM 629 C VAL A 39 3.954 5.381 -4.821 1.00 0.00 C ATOM 630 O VAL A 39 2.995 5.212 -4.069 1.00 0.00 O ATOM 631 CB VAL A 39 6.123 6.039 -3.775 1.00 0.00 C ATOM 632 CG1 VAL A 39 5.283 6.696 -2.689 1.00 0.00 C ATOM 633 CG2 VAL A 39 7.435 5.531 -3.197 1.00 0.00 C ATOM 0 H VAL A 39 6.865 4.904 -5.877 1.00 0.00 H new ATOM 0 HA VAL A 39 5.251 4.069 -3.722 1.00 0.00 H new ATOM 0 HB VAL A 39 6.347 6.785 -4.537 1.00 0.00 H new ATOM 0 HG11 VAL A 39 5.849 7.508 -2.232 1.00 0.00 H new ATOM 0 HG12 VAL A 39 4.368 7.094 -3.128 1.00 0.00 H new ATOM 0 HG13 VAL A 39 5.030 5.958 -1.928 1.00 0.00 H new ATOM 0 HG21 VAL A 39 7.973 6.358 -2.734 1.00 0.00 H new ATOM 0 HG22 VAL A 39 7.231 4.766 -2.448 1.00 0.00 H new ATOM 0 HG23 VAL A 39 8.043 5.104 -3.995 1.00 0.00 H new ATOM 643 N GLU A 40 3.854 5.993 -5.996 1.00 0.00 N ATOM 644 CA GLU A 40 2.582 6.514 -6.483 1.00 0.00 C ATOM 645 C GLU A 40 1.577 5.391 -6.709 1.00 0.00 C ATOM 646 O GLU A 40 0.379 5.564 -6.487 1.00 0.00 O ATOM 647 CB GLU A 40 2.787 7.305 -7.776 1.00 0.00 C ATOM 648 CG GLU A 40 3.513 8.630 -7.594 1.00 0.00 C ATOM 649 CD GLU A 40 3.771 9.298 -8.917 1.00 0.00 C ATOM 650 OE1 GLU A 40 3.453 8.716 -9.926 1.00 0.00 O ATOM 651 OE2 GLU A 40 4.180 10.435 -8.916 1.00 0.00 O ATOM 0 H GLU A 40 4.640 6.141 -6.630 1.00 0.00 H new ATOM 0 HA GLU A 40 2.181 7.181 -5.720 1.00 0.00 H new ATOM 0 HB2 GLU A 40 3.349 6.690 -8.479 1.00 0.00 H new ATOM 0 HB3 GLU A 40 1.814 7.497 -8.228 1.00 0.00 H new ATOM 0 HG2 GLU A 40 2.918 9.289 -6.961 1.00 0.00 H new ATOM 0 HG3 GLU A 40 4.459 8.461 -7.079 1.00 0.00 H new ATOM 658 N GLY A 41 2.074 4.241 -7.150 1.00 0.00 N ATOM 659 CA GLY A 41 1.231 3.066 -7.340 1.00 0.00 C ATOM 660 C GLY A 41 0.563 2.651 -6.035 1.00 0.00 C ATOM 661 O GLY A 41 -0.644 2.407 -5.996 1.00 0.00 O ATOM 0 H GLY A 41 3.057 4.097 -7.383 1.00 0.00 H new ATOM 0 HA2 GLY A 41 0.469 3.279 -8.090 1.00 0.00 H new ATOM 0 HA3 GLY A 41 1.833 2.241 -7.722 1.00 0.00 H new ATOM 665 N VAL A 42 1.352 2.574 -4.969 1.00 0.00 N ATOM 666 CA VAL A 42 0.856 2.106 -3.681 1.00 0.00 C ATOM 667 C VAL A 42 -0.293 2.974 -3.185 1.00 0.00 C ATOM 668 O VAL A 42 -1.282 2.468 -2.656 1.00 0.00 O ATOM 669 CB VAL A 42 1.971 2.091 -2.618 1.00 0.00 C ATOM 670 CG1 VAL A 42 1.393 1.787 -1.245 1.00 0.00 C ATOM 671 CG2 VAL A 42 3.041 1.073 -2.982 1.00 0.00 C ATOM 0 H VAL A 42 2.339 2.830 -4.972 1.00 0.00 H new ATOM 0 HA VAL A 42 0.498 1.088 -3.833 1.00 0.00 H new ATOM 0 HB VAL A 42 2.431 3.079 -2.588 1.00 0.00 H new ATOM 0 HG11 VAL A 42 2.194 1.780 -0.506 1.00 0.00 H new ATOM 0 HG12 VAL A 42 0.662 2.551 -0.981 1.00 0.00 H new ATOM 0 HG13 VAL A 42 0.908 0.811 -1.263 1.00 0.00 H new ATOM 0 HG21 VAL A 42 3.820 1.076 -2.220 1.00 0.00 H new ATOM 0 HG22 VAL A 42 2.594 0.080 -3.040 1.00 0.00 H new ATOM 0 HG23 VAL A 42 3.476 1.332 -3.947 1.00 0.00 H new ATOM 681 N ASN A 43 -0.156 4.284 -3.359 1.00 0.00 N ATOM 682 CA ASN A 43 -1.200 5.222 -2.963 1.00 0.00 C ATOM 683 C ASN A 43 -2.396 5.144 -3.902 1.00 0.00 C ATOM 684 O ASN A 43 -3.546 5.158 -3.462 1.00 0.00 O ATOM 685 CB ASN A 43 -0.673 6.644 -2.902 1.00 0.00 C ATOM 686 CG ASN A 43 -1.666 7.635 -2.360 1.00 0.00 C ATOM 687 OD1 ASN A 43 -2.099 7.543 -1.205 1.00 0.00 O ATOM 688 ND2 ASN A 43 -2.092 8.531 -3.214 1.00 0.00 N ATOM 0 H ASN A 43 0.668 4.721 -3.772 1.00 0.00 H new ATOM 0 HA ASN A 43 -1.527 4.936 -1.963 1.00 0.00 H new ATOM 0 HB2 ASN A 43 0.222 6.664 -2.281 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -0.373 6.954 -3.903 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -2.815 9.196 -2.938 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -1.701 8.564 -4.156 1.00 0.00 H new ATOM 695 N ALA A 44 -2.120 5.062 -5.199 1.00 0.00 N ATOM 696 CA ALA A 44 -3.173 5.027 -6.207 1.00 0.00 C ATOM 697 C ALA A 44 -4.018 3.765 -6.076 1.00 0.00 C ATOM 698 O ALA A 44 -5.247 3.823 -6.115 1.00 0.00 O ATOM 699 CB ALA A 44 -2.576 5.126 -7.603 1.00 0.00 C ATOM 0 H ALA A 44 -1.174 5.018 -5.577 1.00 0.00 H new ATOM 0 HA ALA A 44 -3.824 5.886 -6.044 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -3.375 5.098 -8.343 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -2.026 6.062 -7.698 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -1.899 4.288 -7.769 1.00 0.00 H new ATOM 705 N LEU A 45 -3.351 2.626 -5.921 1.00 0.00 N ATOM 706 CA LEU A 45 -4.041 1.354 -5.746 1.00 0.00 C ATOM 707 C LEU A 45 -4.901 1.361 -4.489 1.00 0.00 C ATOM 708 O LEU A 45 -6.095 1.064 -4.541 1.00 0.00 O ATOM 709 CB LEU A 45 -3.026 0.204 -5.691 1.00 0.00 C ATOM 710 CG LEU A 45 -2.158 0.041 -6.945 1.00 0.00 C ATOM 711 CD1 LEU A 45 -0.798 -0.533 -6.568 1.00 0.00 C ATOM 712 CD2 LEU A 45 -2.867 -0.865 -7.940 1.00 0.00 C ATOM 0 H LEU A 45 -2.333 2.558 -5.913 1.00 0.00 H new ATOM 0 HA LEU A 45 -4.699 1.206 -6.602 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -2.372 0.358 -4.833 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -3.565 -0.727 -5.518 1.00 0.00 H new ATOM 0 HG LEU A 45 -2.001 1.016 -7.407 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -0.189 -0.645 -7.465 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -0.299 0.141 -5.872 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -0.932 -1.507 -6.097 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -2.250 -0.980 -8.831 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -3.036 -1.842 -7.487 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -3.824 -0.423 -8.217 1.00 0.00 H new ATOM 724 N LYS A 46 -4.288 1.701 -3.360 1.00 0.00 N ATOM 725 CA LYS A 46 -4.987 1.712 -2.081 1.00 0.00 C ATOM 726 C LYS A 46 -6.153 2.693 -2.098 1.00 0.00 C ATOM 727 O LYS A 46 -7.183 2.460 -1.467 1.00 0.00 O ATOM 728 CB LYS A 46 -4.024 2.059 -0.947 1.00 0.00 C ATOM 729 CG LYS A 46 -4.500 1.632 0.436 1.00 0.00 C ATOM 730 CD LYS A 46 -3.833 2.454 1.529 1.00 0.00 C ATOM 731 CE LYS A 46 -4.374 3.876 1.561 1.00 0.00 C ATOM 732 NZ LYS A 46 -3.712 4.700 2.609 1.00 0.00 N ATOM 0 H LYS A 46 -3.306 1.973 -3.305 1.00 0.00 H new ATOM 0 HA LYS A 46 -5.386 0.712 -1.912 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -3.061 1.589 -1.148 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -3.858 3.136 -0.944 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -5.582 1.746 0.502 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -4.281 0.575 0.588 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -3.997 1.978 2.496 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -2.756 2.476 1.364 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -4.227 4.342 0.587 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -5.448 3.851 1.744 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -4.435 5.122 3.227 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -3.080 4.099 3.176 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -3.158 5.456 2.158 1.00 0.00 H new ATOM 746 N ASP A 47 -5.983 3.793 -2.825 1.00 0.00 N ATOM 747 CA ASP A 47 -6.958 4.877 -2.815 1.00 0.00 C ATOM 748 C ASP A 47 -8.373 4.344 -3.000 1.00 0.00 C ATOM 749 O ASP A 47 -9.310 4.804 -2.346 1.00 0.00 O ATOM 750 CB ASP A 47 -6.635 5.900 -3.905 1.00 0.00 C ATOM 751 CG ASP A 47 -7.416 7.202 -3.797 1.00 0.00 C ATOM 752 OD1 ASP A 47 -7.263 7.884 -2.811 1.00 0.00 O ATOM 753 OD2 ASP A 47 -8.035 7.582 -4.763 1.00 0.00 O ATOM 0 H ASP A 47 -5.178 3.957 -3.429 1.00 0.00 H new ATOM 0 HA ASP A 47 -6.901 5.367 -1.843 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -5.569 6.126 -3.870 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -6.834 5.451 -4.878 1.00 0.00 H new ATOM 758 N GLU A 48 -8.523 3.374 -3.896 1.00 0.00 N ATOM 759 CA GLU A 48 -9.819 2.754 -4.143 1.00 0.00 C ATOM 760 C GLU A 48 -10.316 2.005 -2.913 1.00 0.00 C ATOM 761 O GLU A 48 -11.504 2.038 -2.592 1.00 0.00 O ATOM 762 CB GLU A 48 -9.738 1.802 -5.340 1.00 0.00 C ATOM 763 CG GLU A 48 -9.556 2.496 -6.682 1.00 0.00 C ATOM 764 CD GLU A 48 -9.371 1.498 -7.792 1.00 0.00 C ATOM 765 OE1 GLU A 48 -9.319 0.326 -7.509 1.00 0.00 O ATOM 766 OE2 GLU A 48 -9.394 1.897 -8.932 1.00 0.00 O ATOM 0 H GLU A 48 -7.762 3.000 -4.463 1.00 0.00 H new ATOM 0 HA GLU A 48 -10.530 3.549 -4.369 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -8.908 1.113 -5.185 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -10.648 1.203 -5.375 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -10.425 3.120 -6.892 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -8.691 3.158 -6.637 1.00 0.00 H new ATOM 773 N ILE A 49 -9.399 1.330 -2.227 1.00 0.00 N ATOM 774 CA ILE A 49 -9.752 0.528 -1.061 1.00 0.00 C ATOM 775 C ILE A 49 -10.054 1.410 0.143 1.00 0.00 C ATOM 776 O ILE A 49 -10.982 1.139 0.905 1.00 0.00 O ATOM 777 CB ILE A 49 -8.628 -0.458 -0.694 1.00 0.00 C ATOM 778 CG1 ILE A 49 -8.320 -1.381 -1.877 1.00 0.00 C ATOM 779 CG2 ILE A 49 -9.013 -1.271 0.533 1.00 0.00 C ATOM 780 CD1 ILE A 49 -9.482 -2.258 -2.286 1.00 0.00 C ATOM 0 H ILE A 49 -8.406 1.323 -2.459 1.00 0.00 H new ATOM 0 HA ILE A 49 -10.646 -0.037 -1.326 1.00 0.00 H new ATOM 0 HB ILE A 49 -7.729 0.113 -0.459 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -8.017 -0.774 -2.730 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -7.471 -2.015 -1.620 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -8.207 -1.963 0.779 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -9.184 -0.600 1.375 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -9.924 -1.833 0.326 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -9.187 -2.883 -3.129 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -9.772 -2.892 -1.448 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -10.326 -1.632 -2.576 1.00 0.00 H new ATOM 792 N LEU A 50 -9.266 2.467 0.309 1.00 0.00 N ATOM 793 CA LEU A 50 -9.457 3.398 1.414 1.00 0.00 C ATOM 794 C LEU A 50 -10.788 4.129 1.296 1.00 0.00 C ATOM 795 O LEU A 50 -11.457 4.386 2.296 1.00 0.00 O ATOM 796 CB LEU A 50 -8.299 4.403 1.467 1.00 0.00 C ATOM 797 CG LEU A 50 -8.354 5.403 2.628 1.00 0.00 C ATOM 798 CD1 LEU A 50 -8.224 4.669 3.956 1.00 0.00 C ATOM 799 CD2 LEU A 50 -7.243 6.430 2.470 1.00 0.00 C ATOM 0 H LEU A 50 -8.488 2.700 -0.309 1.00 0.00 H new ATOM 0 HA LEU A 50 -9.471 2.824 2.341 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -7.362 3.850 1.529 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -8.279 4.960 0.530 1.00 0.00 H new ATOM 0 HG LEU A 50 -9.313 5.920 2.616 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -8.264 5.388 4.774 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -9.042 3.956 4.059 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -7.273 4.137 3.986 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -7.284 7.140 3.296 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -6.277 5.925 2.473 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -7.371 6.962 1.527 1.00 0.00 H new ATOM 811 N LYS A 51 -11.166 4.462 0.066 1.00 0.00 N ATOM 812 CA LYS A 51 -12.431 5.143 -0.188 1.00 0.00 C ATOM 813 C LYS A 51 -13.593 4.160 -0.197 1.00 0.00 C ATOM 814 O LYS A 51 -14.748 4.547 -0.016 1.00 0.00 O ATOM 815 CB LYS A 51 -12.373 5.901 -1.515 1.00 0.00 C ATOM 816 CG LYS A 51 -11.452 7.113 -1.508 1.00 0.00 C ATOM 817 CD LYS A 51 -11.420 7.793 -2.870 1.00 0.00 C ATOM 818 CE LYS A 51 -10.587 9.065 -2.834 1.00 0.00 C ATOM 819 NZ LYS A 51 -10.512 9.718 -4.170 1.00 0.00 N ATOM 0 H LYS A 51 -10.614 4.271 -0.771 1.00 0.00 H new ATOM 0 HA LYS A 51 -12.595 5.856 0.620 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -12.045 5.216 -2.297 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -13.380 6.226 -1.778 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -11.788 7.823 -0.753 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -10.444 6.805 -1.230 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -11.009 7.108 -3.611 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -12.436 8.030 -3.184 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -11.018 9.761 -2.114 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -9.580 8.830 -2.488 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -9.936 10.581 -4.103 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -10.078 9.064 -4.852 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -11.470 9.966 -4.490 1.00 0.00 H new ATOM 833 N ALA A 52 -13.283 2.885 -0.406 1.00 0.00 N ATOM 834 CA ALA A 52 -14.298 1.838 -0.396 1.00 0.00 C ATOM 835 C ALA A 52 -14.892 1.661 0.995 1.00 0.00 C ATOM 836 O ALA A 52 -15.739 2.416 1.385 1.00 0.00 O ATOM 837 CB ALA A 52 -13.709 0.526 -0.895 1.00 0.00 C ATOM 838 OXT ALA A 52 -14.514 0.766 1.700 1.00 0.00 O ATOM 0 H ALA A 52 -12.336 2.551 -0.585 1.00 0.00 H new ATOM 0 HA ALA A 52 -15.102 2.140 -1.067 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -14.478 -0.246 -0.882 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -13.342 0.656 -1.913 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -12.884 0.228 -0.248 1.00 0.00 H new