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 147:sc=-0.000277 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= -0.0253 K(o=-0.025,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= 0.338 USER MOD Single : A 43 ASN : amide:sc= -0.0197 X(o=-0.02,f=0) USER MOD Single : A 46 LYS NZ :NH3+ 139:sc= 1.23 (180deg=0.456) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 70 N TRP A 6 13.673 1.271 0.115 1.00 0.00 N ATOM 71 CA TRP A 6 13.516 1.275 1.564 1.00 0.00 C ATOM 72 C TRP A 6 12.429 2.250 1.998 1.00 0.00 C ATOM 73 O TRP A 6 11.611 1.938 2.863 1.00 0.00 O ATOM 74 CB TRP A 6 14.840 1.631 2.243 1.00 0.00 C ATOM 75 CG TRP A 6 15.880 0.558 2.124 1.00 0.00 C ATOM 76 CD1 TRP A 6 15.667 -0.756 1.834 1.00 0.00 C ATOM 77 CD2 TRP A 6 17.296 0.710 2.287 1.00 0.00 C ATOM 78 NE1 TRP A 6 16.860 -1.435 1.811 1.00 0.00 N ATOM 79 CE2 TRP A 6 17.877 -0.555 2.083 1.00 0.00 C ATOM 80 CE3 TRP A 6 18.128 1.796 2.586 1.00 0.00 C ATOM 81 CZ2 TRP A 6 19.244 -0.767 2.169 1.00 0.00 C ATOM 82 CZ3 TRP A 6 19.500 1.583 2.671 1.00 0.00 C ATOM 83 CH2 TRP A 6 20.041 0.339 2.468 1.00 0.00 C ATOM 0 HA TRP A 6 13.217 0.272 1.870 1.00 0.00 H new ATOM 0 HB2 TRP A 6 15.227 2.551 1.806 1.00 0.00 H new ATOM 0 HB3 TRP A 6 14.656 1.832 3.298 1.00 0.00 H new ATOM 0 HD1 TRP A 6 14.700 -1.199 1.649 1.00 0.00 H new ATOM 0 HE1 TRP A 6 16.972 -2.431 1.622 1.00 0.00 H new ATOM 0 HE3 TRP A 6 17.713 2.780 2.747 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 19.674 -1.745 2.012 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 20.152 2.413 2.901 1.00 0.00 H new ATOM 0 HH2 TRP A 6 21.111 0.212 2.541 1.00 0.00 H new ATOM 94 N LEU A 7 12.425 3.432 1.391 1.00 0.00 N ATOM 95 CA LEU A 7 11.380 4.419 1.642 1.00 0.00 C ATOM 96 C LEU A 7 10.020 3.910 1.184 1.00 0.00 C ATOM 97 O LEU A 7 9.028 4.030 1.902 1.00 0.00 O ATOM 98 CB LEU A 7 11.720 5.740 0.940 1.00 0.00 C ATOM 99 CG LEU A 7 13.048 6.381 1.365 1.00 0.00 C ATOM 100 CD1 LEU A 7 13.502 7.384 0.313 1.00 0.00 C ATOM 101 CD2 LEU A 7 12.877 7.058 2.716 1.00 0.00 C ATOM 0 H LEU A 7 13.134 3.730 0.721 1.00 0.00 H new ATOM 0 HA LEU A 7 11.328 4.592 2.717 1.00 0.00 H new ATOM 0 HB2 LEU A 7 11.747 5.565 -0.136 1.00 0.00 H new ATOM 0 HB3 LEU A 7 10.915 6.451 1.128 1.00 0.00 H new ATOM 0 HG LEU A 7 13.812 5.609 1.454 1.00 0.00 H new ATOM 0 HD11 LEU A 7 14.445 7.834 0.623 1.00 0.00 H new ATOM 0 HD12 LEU A 7 13.639 6.874 -0.641 1.00 0.00 H new ATOM 0 HD13 LEU A 7 12.747 8.163 0.203 1.00 0.00 H new ATOM 0 HD21 LEU A 7 13.821 7.513 3.017 1.00 0.00 H new ATOM 0 HD22 LEU A 7 12.110 7.829 2.642 1.00 0.00 H new ATOM 0 HD23 LEU A 7 12.578 6.318 3.458 1.00 0.00 H new ATOM 113 N LEU A 8 9.980 3.341 -0.016 1.00 0.00 N ATOM 114 CA LEU A 8 8.749 2.777 -0.556 1.00 0.00 C ATOM 115 C LEU A 8 8.263 1.606 0.288 1.00 0.00 C ATOM 116 O LEU A 8 7.062 1.444 0.509 1.00 0.00 O ATOM 117 CB LEU A 8 8.961 2.336 -2.010 1.00 0.00 C ATOM 118 CG LEU A 8 7.881 1.403 -2.573 1.00 0.00 C ATOM 119 CD1 LEU A 8 6.510 2.052 -2.440 1.00 0.00 C ATOM 120 CD2 LEU A 8 8.190 1.088 -4.030 1.00 0.00 C ATOM 0 H LEU A 8 10.787 3.258 -0.634 1.00 0.00 H new ATOM 0 HA LEU A 8 7.982 3.551 -0.529 1.00 0.00 H new ATOM 0 HB2 LEU A 8 9.014 3.225 -2.639 1.00 0.00 H new ATOM 0 HB3 LEU A 8 9.926 1.835 -2.084 1.00 0.00 H new ATOM 0 HG LEU A 8 7.874 0.472 -2.007 1.00 0.00 H new ATOM 0 HD11 LEU A 8 5.750 1.382 -2.842 1.00 0.00 H new ATOM 0 HD12 LEU A 8 6.301 2.248 -1.388 1.00 0.00 H new ATOM 0 HD13 LEU A 8 6.496 2.991 -2.994 1.00 0.00 H new ATOM 0 HD21 LEU A 8 7.423 0.425 -4.430 1.00 0.00 H new ATOM 0 HD22 LEU A 8 8.207 2.013 -4.607 1.00 0.00 H new ATOM 0 HD23 LEU A 8 9.162 0.600 -4.098 1.00 0.00 H new ATOM 132 N LYS A 9 9.201 0.791 0.757 1.00 0.00 N ATOM 133 CA LYS A 9 8.885 -0.293 1.678 1.00 0.00 C ATOM 134 C LYS A 9 8.153 0.226 2.910 1.00 0.00 C ATOM 135 O LYS A 9 7.236 -0.420 3.417 1.00 0.00 O ATOM 136 CB LYS A 9 10.158 -1.031 2.095 1.00 0.00 C ATOM 137 CG LYS A 9 9.926 -2.192 3.054 1.00 0.00 C ATOM 138 CD LYS A 9 11.243 -2.778 3.541 1.00 0.00 C ATOM 139 CE LYS A 9 12.110 -1.718 4.204 1.00 0.00 C ATOM 140 NZ LYS A 9 13.456 -2.243 4.561 1.00 0.00 N ATOM 0 H LYS A 9 10.189 0.861 0.513 1.00 0.00 H new ATOM 0 HA LYS A 9 8.227 -0.989 1.159 1.00 0.00 H new ATOM 0 HB2 LYS A 9 10.655 -1.408 1.201 1.00 0.00 H new ATOM 0 HB3 LYS A 9 10.839 -0.320 2.562 1.00 0.00 H new ATOM 0 HG2 LYS A 9 9.340 -1.850 3.907 1.00 0.00 H new ATOM 0 HG3 LYS A 9 9.343 -2.967 2.556 1.00 0.00 H new ATOM 0 HD2 LYS A 9 11.045 -3.583 4.248 1.00 0.00 H new ATOM 0 HD3 LYS A 9 11.781 -3.217 2.701 1.00 0.00 H new ATOM 0 HE2 LYS A 9 12.219 -0.867 3.532 1.00 0.00 H new ATOM 0 HE3 LYS A 9 11.613 -1.353 5.103 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 14.015 -1.489 5.010 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 13.354 -3.039 5.222 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 13.941 -2.568 3.700 1.00 0.00 H new ATOM 154 N GLU A 10 8.564 1.396 3.385 1.00 0.00 N ATOM 155 CA GLU A 10 7.888 2.049 4.501 1.00 0.00 C ATOM 156 C GLU A 10 6.563 2.658 4.061 1.00 0.00 C ATOM 157 O GLU A 10 5.597 2.683 4.824 1.00 0.00 O ATOM 158 CB GLU A 10 8.786 3.126 5.114 1.00 0.00 C ATOM 159 CG GLU A 10 10.000 2.587 5.854 1.00 0.00 C ATOM 160 CD GLU A 10 10.874 3.702 6.358 1.00 0.00 C ATOM 161 OE1 GLU A 10 10.565 4.839 6.091 1.00 0.00 O ATOM 162 OE2 GLU A 10 11.785 3.427 7.103 1.00 0.00 O ATOM 0 H GLU A 10 9.362 1.912 3.015 1.00 0.00 H new ATOM 0 HA GLU A 10 7.680 1.291 5.256 1.00 0.00 H new ATOM 0 HB2 GLU A 10 9.126 3.793 4.321 1.00 0.00 H new ATOM 0 HB3 GLU A 10 8.193 3.727 5.803 1.00 0.00 H new ATOM 0 HG2 GLU A 10 9.674 1.971 6.692 1.00 0.00 H new ATOM 0 HG3 GLU A 10 10.576 1.942 5.190 1.00 0.00 H new ATOM 169 N ALA A 11 6.524 3.150 2.829 1.00 0.00 N ATOM 170 CA ALA A 11 5.298 3.700 2.261 1.00 0.00 C ATOM 171 C ALA A 11 4.215 2.633 2.154 1.00 0.00 C ATOM 172 O ALA A 11 3.042 2.898 2.419 1.00 0.00 O ATOM 173 CB ALA A 11 5.575 4.316 0.897 1.00 0.00 C ATOM 0 H ALA A 11 7.328 3.180 2.202 1.00 0.00 H new ATOM 0 HA ALA A 11 4.936 4.480 2.931 1.00 0.00 H new ATOM 0 HB1 ALA A 11 4.650 4.722 0.487 1.00 0.00 H new ATOM 0 HB2 ALA A 11 6.308 5.116 1.001 1.00 0.00 H new ATOM 0 HB3 ALA A 11 5.965 3.552 0.225 1.00 0.00 H new ATOM 179 N LYS A 12 4.614 1.428 1.764 1.00 0.00 N ATOM 180 CA LYS A 12 3.676 0.322 1.613 1.00 0.00 C ATOM 181 C LYS A 12 3.062 -0.066 2.951 1.00 0.00 C ATOM 182 O LYS A 12 1.850 -0.263 3.054 1.00 0.00 O ATOM 183 CB LYS A 12 4.371 -0.887 0.983 1.00 0.00 C ATOM 184 CG LYS A 12 4.794 -0.685 -0.467 1.00 0.00 C ATOM 185 CD LYS A 12 5.824 -1.721 -0.892 1.00 0.00 C ATOM 186 CE LYS A 12 6.148 -1.605 -2.374 1.00 0.00 C ATOM 187 NZ LYS A 12 6.983 -2.740 -2.852 1.00 0.00 N ATOM 0 H LYS A 12 5.582 1.192 1.546 1.00 0.00 H new ATOM 0 HA LYS A 12 2.874 0.653 0.953 1.00 0.00 H new ATOM 0 HB2 LYS A 12 5.253 -1.133 1.575 1.00 0.00 H new ATOM 0 HB3 LYS A 12 3.701 -1.745 1.037 1.00 0.00 H new ATOM 0 HG2 LYS A 12 3.920 -0.751 -1.115 1.00 0.00 H new ATOM 0 HG3 LYS A 12 5.209 0.315 -0.591 1.00 0.00 H new ATOM 0 HD2 LYS A 12 6.735 -1.592 -0.308 1.00 0.00 H new ATOM 0 HD3 LYS A 12 5.447 -2.721 -0.678 1.00 0.00 H new ATOM 0 HE2 LYS A 12 5.221 -1.571 -2.946 1.00 0.00 H new ATOM 0 HE3 LYS A 12 6.671 -0.667 -2.558 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 7.181 -2.622 -3.866 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 7.879 -2.758 -2.324 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 6.474 -3.634 -2.700 1.00 0.00 H new ATOM 201 N GLU A 13 3.902 -0.175 3.973 1.00 0.00 N ATOM 202 CA GLU A 13 3.442 -0.545 5.307 1.00 0.00 C ATOM 203 C GLU A 13 2.579 0.551 5.917 1.00 0.00 C ATOM 204 O GLU A 13 1.539 0.274 6.516 1.00 0.00 O ATOM 205 CB GLU A 13 4.634 -0.846 6.219 1.00 0.00 C ATOM 206 CG GLU A 13 5.382 -2.126 5.877 1.00 0.00 C ATOM 207 CD GLU A 13 6.598 -2.297 6.744 1.00 0.00 C ATOM 208 OE1 GLU A 13 6.874 -1.420 7.526 1.00 0.00 O ATOM 209 OE2 GLU A 13 7.186 -3.353 6.706 1.00 0.00 O ATOM 0 H GLU A 13 4.907 -0.012 3.904 1.00 0.00 H new ATOM 0 HA GLU A 13 2.832 -1.443 5.212 1.00 0.00 H new ATOM 0 HB2 GLU A 13 5.331 -0.009 6.173 1.00 0.00 H new ATOM 0 HB3 GLU A 13 4.281 -0.910 7.248 1.00 0.00 H new ATOM 0 HG2 GLU A 13 4.719 -2.982 6.004 1.00 0.00 H new ATOM 0 HG3 GLU A 13 5.680 -2.106 4.829 1.00 0.00 H new ATOM 216 N LYS A 14 3.015 1.796 5.760 1.00 0.00 N ATOM 217 CA LYS A 14 2.339 2.929 6.382 1.00 0.00 C ATOM 218 C LYS A 14 0.954 3.138 5.784 1.00 0.00 C ATOM 219 O LYS A 14 0.001 3.458 6.495 1.00 0.00 O ATOM 220 CB LYS A 14 3.175 4.200 6.231 1.00 0.00 C ATOM 221 CG LYS A 14 4.378 4.276 7.160 1.00 0.00 C ATOM 222 CD LYS A 14 5.180 5.547 6.926 1.00 0.00 C ATOM 223 CE LYS A 14 4.324 6.788 7.134 1.00 0.00 C ATOM 224 NZ LYS A 14 5.046 8.032 6.750 1.00 0.00 N ATOM 0 H LYS A 14 3.834 2.047 5.207 1.00 0.00 H new ATOM 0 HA LYS A 14 2.222 2.707 7.443 1.00 0.00 H new ATOM 0 HB2 LYS A 14 3.522 4.271 5.200 1.00 0.00 H new ATOM 0 HB3 LYS A 14 2.536 5.064 6.413 1.00 0.00 H new ATOM 0 HG2 LYS A 14 4.042 4.241 8.196 1.00 0.00 H new ATOM 0 HG3 LYS A 14 5.017 3.407 7.003 1.00 0.00 H new ATOM 0 HD2 LYS A 14 6.032 5.572 7.606 1.00 0.00 H new ATOM 0 HD3 LYS A 14 5.581 5.545 5.912 1.00 0.00 H new ATOM 0 HE2 LYS A 14 3.411 6.702 6.545 1.00 0.00 H new ATOM 0 HE3 LYS A 14 4.024 6.851 8.180 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 4.429 8.854 6.907 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 5.904 8.128 7.329 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 5.310 7.984 5.745 1.00 0.00 H new ATOM 238 N ALA A 15 0.848 2.956 4.471 1.00 0.00 N ATOM 239 CA ALA A 15 -0.380 3.274 3.751 1.00 0.00 C ATOM 240 C ALA A 15 -1.506 2.323 4.135 1.00 0.00 C ATOM 241 O ALA A 15 -2.634 2.749 4.378 1.00 0.00 O ATOM 242 CB ALA A 15 -0.137 3.234 2.249 1.00 0.00 C ATOM 0 H ALA A 15 1.598 2.590 3.884 1.00 0.00 H new ATOM 0 HA ALA A 15 -0.684 4.282 4.031 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -1.062 3.473 1.724 1.00 0.00 H new ATOM 0 HB2 ALA A 15 0.629 3.963 1.985 1.00 0.00 H new ATOM 0 HB3 ALA A 15 0.196 2.237 1.961 1.00 0.00 H new ATOM 248 N ILE A 16 -1.192 1.033 4.188 1.00 0.00 N ATOM 249 CA ILE A 16 -2.203 0.007 4.416 1.00 0.00 C ATOM 250 C ILE A 16 -2.649 -0.014 5.872 1.00 0.00 C ATOM 251 O ILE A 16 -3.751 -0.463 6.188 1.00 0.00 O ATOM 252 CB ILE A 16 -1.688 -1.390 4.026 1.00 0.00 C ATOM 253 CG1 ILE A 16 -1.174 -1.386 2.583 1.00 0.00 C ATOM 254 CG2 ILE A 16 -2.784 -2.429 4.200 1.00 0.00 C ATOM 255 CD1 ILE A 16 -2.072 -0.646 1.618 1.00 0.00 C ATOM 0 H ILE A 16 -0.244 0.673 4.076 1.00 0.00 H new ATOM 0 HA ILE A 16 -3.054 0.259 3.783 1.00 0.00 H new ATOM 0 HB ILE A 16 -0.861 -1.651 4.686 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -0.182 -0.934 2.562 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -1.062 -2.416 2.244 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -2.402 -3.411 3.920 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -3.105 -2.448 5.241 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -3.631 -2.174 3.564 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -1.642 -0.687 0.617 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -3.058 -1.111 1.609 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -2.164 0.394 1.931 1.00 0.00 H new ATOM 267 N GLU A 17 -1.786 0.473 6.757 1.00 0.00 N ATOM 268 CA GLU A 17 -2.124 0.597 8.170 1.00 0.00 C ATOM 269 C GLU A 17 -3.475 1.275 8.356 1.00 0.00 C ATOM 270 O GLU A 17 -4.230 0.937 9.267 1.00 0.00 O ATOM 271 CB GLU A 17 -1.038 1.375 8.915 1.00 0.00 C ATOM 272 CG GLU A 17 -1.248 1.464 10.420 1.00 0.00 C ATOM 273 CD GLU A 17 -0.105 2.173 11.091 1.00 0.00 C ATOM 274 OE1 GLU A 17 0.801 2.581 10.404 1.00 0.00 O ATOM 275 OE2 GLU A 17 -0.189 2.410 12.273 1.00 0.00 O ATOM 0 H GLU A 17 -0.846 0.789 6.520 1.00 0.00 H new ATOM 0 HA GLU A 17 -2.187 -0.408 8.586 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -0.074 0.904 8.722 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -0.987 2.385 8.507 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -2.179 1.992 10.629 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -1.350 0.461 10.835 1.00 0.00 H new ATOM 282 N GLU A 18 -3.774 2.233 7.486 1.00 0.00 N ATOM 283 CA GLU A 18 -5.085 2.871 7.470 1.00 0.00 C ATOM 284 C GLU A 18 -6.181 1.873 7.117 1.00 0.00 C ATOM 285 O GLU A 18 -7.260 1.885 7.711 1.00 0.00 O ATOM 286 CB GLU A 18 -5.101 4.040 6.482 1.00 0.00 C ATOM 287 CG GLU A 18 -4.211 5.210 6.877 1.00 0.00 C ATOM 288 CD GLU A 18 -4.089 6.205 5.757 1.00 0.00 C ATOM 289 OE1 GLU A 18 -4.570 5.927 4.685 1.00 0.00 O ATOM 290 OE2 GLU A 18 -3.613 7.289 6.002 1.00 0.00 O ATOM 0 H GLU A 18 -3.126 2.585 6.782 1.00 0.00 H new ATOM 0 HA GLU A 18 -5.281 3.252 8.472 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -4.789 3.676 5.503 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -6.125 4.398 6.378 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -4.622 5.701 7.759 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -3.222 4.842 7.149 1.00 0.00 H new ATOM 297 N LEU A 19 -5.897 1.009 6.150 1.00 0.00 N ATOM 298 CA LEU A 19 -6.847 -0.015 5.734 1.00 0.00 C ATOM 299 C LEU A 19 -7.110 -1.011 6.856 1.00 0.00 C ATOM 300 O LEU A 19 -8.237 -1.473 7.038 1.00 0.00 O ATOM 301 CB LEU A 19 -6.331 -0.742 4.486 1.00 0.00 C ATOM 302 CG LEU A 19 -6.843 -0.191 3.149 1.00 0.00 C ATOM 303 CD1 LEU A 19 -6.874 1.332 3.191 1.00 0.00 C ATOM 304 CD2 LEU A 19 -5.950 -0.681 2.020 1.00 0.00 C ATOM 0 H LEU A 19 -5.015 0.997 5.638 1.00 0.00 H new ATOM 0 HA LEU A 19 -7.790 0.477 5.493 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -5.242 -0.699 4.485 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -6.609 -1.794 4.557 1.00 0.00 H new ATOM 0 HG LEU A 19 -7.857 -0.549 2.973 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -7.239 1.715 2.238 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -7.537 1.660 3.992 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -5.869 1.711 3.374 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -6.315 -0.289 1.071 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -4.930 -0.336 2.187 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -5.964 -1.771 1.992 1.00 0.00 H new ATOM 316 N LYS A 20 -6.064 -1.338 7.607 1.00 0.00 N ATOM 317 CA LYS A 20 -6.202 -2.188 8.784 1.00 0.00 C ATOM 318 C LYS A 20 -7.125 -1.554 9.816 1.00 0.00 C ATOM 319 O LYS A 20 -7.929 -2.241 10.449 1.00 0.00 O ATOM 320 CB LYS A 20 -4.832 -2.467 9.405 1.00 0.00 C ATOM 321 CG LYS A 20 -3.877 -3.235 8.503 1.00 0.00 C ATOM 322 CD LYS A 20 -2.590 -3.592 9.234 1.00 0.00 C ATOM 323 CE LYS A 20 -1.594 -4.269 8.305 1.00 0.00 C ATOM 324 NZ LYS A 20 -0.303 -4.557 8.988 1.00 0.00 N ATOM 0 H LYS A 20 -5.110 -1.027 7.421 1.00 0.00 H new ATOM 0 HA LYS A 20 -6.645 -3.131 8.465 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -4.370 -1.518 9.678 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -4.973 -3.030 10.328 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -4.361 -4.145 8.149 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -3.643 -2.635 7.623 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -2.145 -2.689 9.652 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -2.816 -4.253 10.071 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -2.022 -5.199 7.930 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -1.412 -3.631 7.440 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 0.348 -5.018 8.320 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 0.118 -3.667 9.323 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -0.472 -5.187 9.798 1.00 0.00 H new ATOM 338 N LYS A 21 -7.009 -0.241 9.981 1.00 0.00 N ATOM 339 CA LYS A 21 -7.915 0.506 10.844 1.00 0.00 C ATOM 340 C LYS A 21 -9.315 0.570 10.249 1.00 0.00 C ATOM 341 O LYS A 21 -10.304 0.689 10.973 1.00 0.00 O ATOM 342 CB LYS A 21 -7.381 1.920 11.086 1.00 0.00 C ATOM 343 CG LYS A 21 -6.139 1.981 11.965 1.00 0.00 C ATOM 344 CD LYS A 21 -5.625 3.406 12.096 1.00 0.00 C ATOM 345 CE LYS A 21 -4.349 3.461 12.924 1.00 0.00 C ATOM 346 NZ LYS A 21 -3.800 4.842 13.010 1.00 0.00 N ATOM 0 H LYS A 21 -6.295 0.329 9.527 1.00 0.00 H new ATOM 0 HA LYS A 21 -7.974 -0.018 11.798 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -7.153 2.379 10.124 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -8.167 2.518 11.547 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -6.370 1.583 12.953 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -5.359 1.348 11.541 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -5.436 3.819 11.105 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -6.389 4.029 12.560 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -4.552 3.088 13.928 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -3.602 2.801 12.484 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -2.932 4.835 13.582 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -3.582 5.189 12.054 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -4.502 5.468 13.454 1.00 0.00 H new ATOM 360 N ALA A 22 -9.394 0.490 8.925 1.00 0.00 N ATOM 361 CA ALA A 22 -10.663 0.639 8.222 1.00 0.00 C ATOM 362 C ALA A 22 -11.428 -0.678 8.180 1.00 0.00 C ATOM 363 O ALA A 22 -12.578 -0.725 7.748 1.00 0.00 O ATOM 364 CB ALA A 22 -10.430 1.165 6.813 1.00 0.00 C ATOM 0 H ALA A 22 -8.593 0.323 8.316 1.00 0.00 H new ATOM 0 HA ALA A 22 -11.269 1.361 8.770 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -11.387 1.271 6.301 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -9.936 2.136 6.864 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -9.800 0.466 6.263 1.00 0.00 H new ATOM 370 N GLY A 23 -10.781 -1.746 8.635 1.00 0.00 N ATOM 371 CA GLY A 23 -11.423 -3.052 8.718 1.00 0.00 C ATOM 372 C GLY A 23 -11.223 -3.848 7.435 1.00 0.00 C ATOM 373 O GLY A 23 -11.963 -4.793 7.157 1.00 0.00 O ATOM 0 H GLY A 23 -9.812 -1.732 8.952 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -11.014 -3.608 9.561 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -12.489 -2.925 8.907 1.00 0.00 H new ATOM 377 N ILE A 24 -10.220 -3.460 6.654 1.00 0.00 N ATOM 378 CA ILE A 24 -9.906 -4.153 5.411 1.00 0.00 C ATOM 379 C ILE A 24 -8.961 -5.323 5.657 1.00 0.00 C ATOM 380 O ILE A 24 -7.897 -5.159 6.253 1.00 0.00 O ATOM 381 CB ILE A 24 -9.272 -3.202 4.379 1.00 0.00 C ATOM 382 CG1 ILE A 24 -10.202 -2.019 4.102 1.00 0.00 C ATOM 383 CG2 ILE A 24 -8.957 -3.948 3.091 1.00 0.00 C ATOM 384 CD1 ILE A 24 -11.533 -2.414 3.503 1.00 0.00 C ATOM 0 H ILE A 24 -9.611 -2.669 6.861 1.00 0.00 H new ATOM 0 HA ILE A 24 -10.849 -4.529 5.014 1.00 0.00 H new ATOM 0 HB ILE A 24 -8.338 -2.817 4.790 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -10.379 -1.482 5.034 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -9.701 -1.326 3.426 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -8.510 -3.261 2.373 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -8.259 -4.758 3.301 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -9.876 -4.360 2.675 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -12.136 -1.521 3.336 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -11.368 -2.924 2.554 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -12.056 -3.082 4.187 1.00 0.00 H new ATOM 396 N THR A 25 -9.356 -6.504 5.192 1.00 0.00 N ATOM 397 CA THR A 25 -8.592 -7.720 5.440 1.00 0.00 C ATOM 398 C THR A 25 -8.257 -8.436 4.139 1.00 0.00 C ATOM 399 O THR A 25 -7.880 -9.607 4.142 1.00 0.00 O ATOM 400 CB THR A 25 -9.354 -8.687 6.365 1.00 0.00 C ATOM 401 OG1 THR A 25 -10.618 -9.019 5.776 1.00 0.00 O ATOM 402 CG2 THR A 25 -9.584 -8.052 7.728 1.00 0.00 C ATOM 0 H THR A 25 -10.203 -6.644 4.640 1.00 0.00 H new ATOM 0 HA THR A 25 -7.668 -7.415 5.931 1.00 0.00 H new ATOM 0 HB THR A 25 -8.757 -9.590 6.493 1.00 0.00 H new ATOM 0 HG1 THR A 25 -11.101 -9.636 6.365 1.00 0.00 H new ATOM 0 HG21 THR A 25 -10.124 -8.750 8.368 1.00 0.00 H new ATOM 0 HG22 THR A 25 -8.624 -7.810 8.183 1.00 0.00 H new ATOM 0 HG23 THR A 25 -10.170 -7.140 7.610 1.00 0.00 H new ATOM 410 N SER A 26 -8.396 -7.724 3.025 1.00 0.00 N ATOM 411 CA SER A 26 -8.150 -8.302 1.710 1.00 0.00 C ATOM 412 C SER A 26 -6.659 -8.371 1.408 1.00 0.00 C ATOM 413 O SER A 26 -6.036 -7.363 1.072 1.00 0.00 O ATOM 414 CB SER A 26 -8.868 -7.499 0.643 1.00 0.00 C ATOM 415 OG SER A 26 -8.555 -7.942 -0.649 1.00 0.00 O ATOM 0 H SER A 26 -8.678 -6.744 3.008 1.00 0.00 H new ATOM 0 HA SER A 26 -8.539 -9.320 1.710 1.00 0.00 H new ATOM 0 HB2 SER A 26 -9.944 -7.570 0.799 1.00 0.00 H new ATOM 0 HB3 SER A 26 -8.600 -6.447 0.740 1.00 0.00 H new ATOM 0 HG SER A 26 -9.334 -7.827 -1.232 1.00 0.00 H new ATOM 421 N ASP A 27 -6.089 -9.565 1.530 1.00 0.00 N ATOM 422 CA ASP A 27 -4.687 -9.784 1.194 1.00 0.00 C ATOM 423 C ASP A 27 -4.445 -9.602 -0.299 1.00 0.00 C ATOM 424 O ASP A 27 -3.342 -9.254 -0.721 1.00 0.00 O ATOM 425 CB ASP A 27 -4.242 -11.181 1.633 1.00 0.00 C ATOM 426 CG ASP A 27 -4.076 -11.346 3.137 1.00 0.00 C ATOM 427 OD1 ASP A 27 -4.073 -10.353 3.826 1.00 0.00 O ATOM 428 OD2 ASP A 27 -4.113 -12.460 3.600 1.00 0.00 O ATOM 0 H ASP A 27 -6.578 -10.397 1.860 1.00 0.00 H new ATOM 0 HA ASP A 27 -4.096 -9.041 1.729 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -4.971 -11.909 1.279 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -3.295 -11.416 1.148 1.00 0.00 H new ATOM 433 N TYR A 28 -5.482 -9.839 -1.095 1.00 0.00 N ATOM 434 CA TYR A 28 -5.396 -9.660 -2.540 1.00 0.00 C ATOM 435 C TYR A 28 -4.949 -8.248 -2.894 1.00 0.00 C ATOM 436 O TYR A 28 -3.937 -8.057 -3.568 1.00 0.00 O ATOM 437 CB TYR A 28 -6.742 -9.966 -3.198 1.00 0.00 C ATOM 438 CG TYR A 28 -6.767 -9.714 -4.689 1.00 0.00 C ATOM 439 CD1 TYR A 28 -6.237 -10.638 -5.578 1.00 0.00 C ATOM 440 CD2 TYR A 28 -7.323 -8.552 -5.205 1.00 0.00 C ATOM 441 CE1 TYR A 28 -6.256 -10.412 -6.941 1.00 0.00 C ATOM 442 CE2 TYR A 28 -7.348 -8.316 -6.566 1.00 0.00 C ATOM 443 CZ TYR A 28 -6.814 -9.249 -7.431 1.00 0.00 C ATOM 444 OH TYR A 28 -6.838 -9.019 -8.787 1.00 0.00 O ATOM 0 H TYR A 28 -6.393 -10.156 -0.764 1.00 0.00 H new ATOM 0 HA TYR A 28 -4.650 -10.358 -2.919 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -6.998 -11.009 -3.011 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -7.513 -9.359 -2.724 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -5.802 -11.550 -5.198 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -7.743 -7.820 -4.531 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -5.837 -11.141 -7.619 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -7.783 -7.406 -6.951 1.00 0.00 H new ATOM 0 HH TYR A 28 -7.266 -8.156 -8.965 1.00 0.00 H new ATOM 454 N TYR A 29 -5.710 -7.260 -2.436 1.00 0.00 N ATOM 455 CA TYR A 29 -5.431 -5.865 -2.758 1.00 0.00 C ATOM 456 C TYR A 29 -4.178 -5.375 -2.044 1.00 0.00 C ATOM 457 O TYR A 29 -3.469 -4.501 -2.542 1.00 0.00 O ATOM 458 CB TYR A 29 -6.625 -4.981 -2.389 1.00 0.00 C ATOM 459 CG TYR A 29 -7.825 -5.167 -3.291 1.00 0.00 C ATOM 460 CD1 TYR A 29 -7.761 -4.836 -4.636 1.00 0.00 C ATOM 461 CD2 TYR A 29 -9.019 -5.668 -2.794 1.00 0.00 C ATOM 462 CE1 TYR A 29 -8.854 -5.002 -5.465 1.00 0.00 C ATOM 463 CE2 TYR A 29 -10.119 -5.839 -3.614 1.00 0.00 C ATOM 464 CZ TYR A 29 -10.031 -5.504 -4.949 1.00 0.00 C ATOM 465 OH TYR A 29 -11.123 -5.670 -5.770 1.00 0.00 O ATOM 0 H TYR A 29 -6.526 -7.399 -1.840 1.00 0.00 H new ATOM 0 HA TYR A 29 -5.259 -5.799 -3.832 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -6.919 -5.194 -1.361 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -6.316 -3.936 -2.422 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -6.841 -4.442 -5.043 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -9.091 -5.929 -1.748 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -8.787 -4.740 -6.511 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -11.041 -6.232 -3.212 1.00 0.00 H new ATOM 0 HH TYR A 29 -11.870 -6.034 -5.251 1.00 0.00 H new ATOM 475 N PHE A 30 -3.911 -5.944 -0.872 1.00 0.00 N ATOM 476 CA PHE A 30 -2.664 -5.685 -0.163 1.00 0.00 C ATOM 477 C PHE A 30 -1.461 -6.156 -0.971 1.00 0.00 C ATOM 478 O PHE A 30 -0.368 -5.605 -0.854 1.00 0.00 O ATOM 479 CB PHE A 30 -2.677 -6.366 1.207 1.00 0.00 C ATOM 480 CG PHE A 30 -3.680 -5.786 2.163 1.00 0.00 C ATOM 481 CD1 PHE A 30 -4.612 -4.853 1.733 1.00 0.00 C ATOM 482 CD2 PHE A 30 -3.694 -6.171 3.495 1.00 0.00 C ATOM 483 CE1 PHE A 30 -5.535 -4.318 2.610 1.00 0.00 C ATOM 484 CE2 PHE A 30 -4.617 -5.638 4.375 1.00 0.00 C ATOM 485 CZ PHE A 30 -5.537 -4.712 3.934 1.00 0.00 C ATOM 0 H PHE A 30 -4.542 -6.587 -0.394 1.00 0.00 H new ATOM 0 HA PHE A 30 -2.578 -4.607 -0.023 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -2.888 -7.427 1.073 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -1.683 -6.292 1.649 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -4.616 -4.541 0.699 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -2.976 -6.896 3.849 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -6.255 -3.592 2.261 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -4.617 -5.948 5.410 1.00 0.00 H new ATOM 0 HZ PHE A 30 -6.258 -4.295 4.622 1.00 0.00 H new ATOM 495 N ASP A 31 -1.672 -7.181 -1.791 1.00 0.00 N ATOM 496 CA ASP A 31 -0.626 -7.684 -2.673 1.00 0.00 C ATOM 497 C ASP A 31 -0.318 -6.690 -3.785 1.00 0.00 C ATOM 498 O ASP A 31 0.828 -6.560 -4.216 1.00 0.00 O ATOM 499 CB ASP A 31 -1.031 -9.034 -3.270 1.00 0.00 C ATOM 500 CG ASP A 31 0.096 -9.768 -3.985 1.00 0.00 C ATOM 501 OD1 ASP A 31 1.073 -10.079 -3.348 1.00 0.00 O ATOM 502 OD2 ASP A 31 -0.095 -10.150 -5.115 1.00 0.00 O ATOM 0 H ASP A 31 -2.559 -7.680 -1.863 1.00 0.00 H new ATOM 0 HA ASP A 31 0.277 -7.818 -2.077 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -1.414 -9.670 -2.472 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -1.849 -8.876 -3.973 1.00 0.00 H new ATOM 507 N LEU A 32 -1.349 -5.990 -4.247 1.00 0.00 N ATOM 508 CA LEU A 32 -1.237 -5.159 -5.440 1.00 0.00 C ATOM 509 C LEU A 32 -0.234 -4.031 -5.235 1.00 0.00 C ATOM 510 O LEU A 32 0.474 -3.642 -6.163 1.00 0.00 O ATOM 511 CB LEU A 32 -2.610 -4.592 -5.821 1.00 0.00 C ATOM 512 CG LEU A 32 -3.369 -5.382 -6.894 1.00 0.00 C ATOM 513 CD1 LEU A 32 -3.714 -6.770 -6.373 1.00 0.00 C ATOM 514 CD2 LEU A 32 -4.630 -4.624 -7.286 1.00 0.00 C ATOM 0 H LEU A 32 -2.272 -5.982 -3.813 1.00 0.00 H new ATOM 0 HA LEU A 32 -0.874 -5.785 -6.255 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -3.227 -4.544 -4.924 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -2.478 -3.569 -6.172 1.00 0.00 H new ATOM 0 HG LEU A 32 -2.739 -5.496 -7.776 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -4.253 -7.324 -7.142 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -2.797 -7.301 -6.119 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -4.340 -6.680 -5.485 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -5.170 -5.185 -8.049 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -5.266 -4.498 -6.410 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -4.358 -3.645 -7.680 1.00 0.00 H new ATOM 526 N ILE A 33 -0.180 -3.510 -4.013 1.00 0.00 N ATOM 527 CA ILE A 33 0.746 -2.435 -3.681 1.00 0.00 C ATOM 528 C ILE A 33 2.186 -2.931 -3.673 1.00 0.00 C ATOM 529 O ILE A 33 3.125 -2.142 -3.779 1.00 0.00 O ATOM 530 CB ILE A 33 0.420 -1.812 -2.311 1.00 0.00 C ATOM 531 CG1 ILE A 33 0.498 -2.873 -1.209 1.00 0.00 C ATOM 532 CG2 ILE A 33 -0.956 -1.165 -2.335 1.00 0.00 C ATOM 533 CD1 ILE A 33 0.975 -2.338 0.120 1.00 0.00 C ATOM 0 H ILE A 33 -0.767 -3.816 -3.237 1.00 0.00 H new ATOM 0 HA ILE A 33 0.632 -1.673 -4.452 1.00 0.00 H new ATOM 0 HB ILE A 33 1.159 -1.039 -2.097 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -0.487 -3.320 -1.078 1.00 0.00 H new ATOM 0 HG13 ILE A 33 1.169 -3.669 -1.531 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -1.170 -0.730 -1.359 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -0.977 -0.383 -3.094 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -1.708 -1.918 -2.569 1.00 0.00 H new ATOM 0 HD11 ILE A 33 1.004 -3.148 0.849 1.00 0.00 H new ATOM 0 HD12 ILE A 33 1.974 -1.917 0.005 1.00 0.00 H new ATOM 0 HD13 ILE A 33 0.292 -1.562 0.466 1.00 0.00 H new ATOM 545 N ASN A 34 2.354 -4.244 -3.546 1.00 0.00 N ATOM 546 CA ASN A 34 3.679 -4.852 -3.562 1.00 0.00 C ATOM 547 C ASN A 34 4.248 -4.895 -4.974 1.00 0.00 C ATOM 548 O ASN A 34 5.458 -4.775 -5.171 1.00 0.00 O ATOM 549 CB ASN A 34 3.657 -6.245 -2.962 1.00 0.00 C ATOM 550 CG ASN A 34 3.448 -6.260 -1.473 1.00 0.00 C ATOM 551 OD1 ASN A 34 3.807 -5.311 -0.766 1.00 0.00 O ATOM 552 ND2 ASN A 34 2.945 -7.365 -0.985 1.00 0.00 N ATOM 0 H ASN A 34 1.588 -4.907 -3.431 1.00 0.00 H new ATOM 0 HA ASN A 34 4.328 -4.227 -2.948 1.00 0.00 H new ATOM 0 HB2 ASN A 34 2.864 -6.823 -3.437 1.00 0.00 H new ATOM 0 HB3 ASN A 34 4.598 -6.745 -3.193 1.00 0.00 H new ATOM 0 HD21 ASN A 34 2.834 -7.473 0.023 1.00 0.00 H new ATOM 0 HD22 ASN A 34 2.664 -8.118 -1.613 1.00 0.00 H new ATOM 559 N LYS A 35 3.369 -5.066 -5.956 1.00 0.00 N ATOM 560 CA LYS A 35 3.734 -4.867 -7.354 1.00 0.00 C ATOM 561 C LYS A 35 4.065 -3.407 -7.634 1.00 0.00 C ATOM 562 O LYS A 35 4.822 -3.098 -8.554 1.00 0.00 O ATOM 563 CB LYS A 35 2.605 -5.335 -8.274 1.00 0.00 C ATOM 564 CG LYS A 35 2.931 -5.260 -9.759 1.00 0.00 C ATOM 565 CD LYS A 35 1.805 -5.839 -10.603 1.00 0.00 C ATOM 566 CE LYS A 35 2.131 -5.765 -12.088 1.00 0.00 C ATOM 567 NZ LYS A 35 1.035 -6.322 -12.926 1.00 0.00 N ATOM 0 H LYS A 35 2.398 -5.342 -5.809 1.00 0.00 H new ATOM 0 HA LYS A 35 4.624 -5.463 -7.554 1.00 0.00 H new ATOM 0 HB2 LYS A 35 2.351 -6.365 -8.022 1.00 0.00 H new ATOM 0 HB3 LYS A 35 1.719 -4.731 -8.078 1.00 0.00 H new ATOM 0 HG2 LYS A 35 3.104 -4.222 -10.043 1.00 0.00 H new ATOM 0 HG3 LYS A 35 3.854 -5.804 -9.959 1.00 0.00 H new ATOM 0 HD2 LYS A 35 1.631 -6.877 -10.318 1.00 0.00 H new ATOM 0 HD3 LYS A 35 0.882 -5.295 -10.404 1.00 0.00 H new ATOM 0 HE2 LYS A 35 2.311 -4.727 -12.369 1.00 0.00 H new ATOM 0 HE3 LYS A 35 3.053 -6.313 -12.285 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 1.296 -6.253 -13.930 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 0.880 -7.320 -12.677 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 0.161 -5.783 -12.758 1.00 0.00 H new ATOM 581 N ALA A 36 3.495 -2.512 -6.834 1.00 0.00 N ATOM 582 CA ALA A 36 3.613 -1.080 -7.079 1.00 0.00 C ATOM 583 C ALA A 36 5.015 -0.579 -6.752 1.00 0.00 C ATOM 584 O ALA A 36 5.224 0.092 -5.742 1.00 0.00 O ATOM 585 CB ALA A 36 2.572 -0.316 -6.274 1.00 0.00 C ATOM 0 H ALA A 36 2.946 -2.754 -6.009 1.00 0.00 H new ATOM 0 HA ALA A 36 3.433 -0.904 -8.139 1.00 0.00 H new ATOM 0 HB1 ALA A 36 2.674 0.752 -6.468 1.00 0.00 H new ATOM 0 HB2 ALA A 36 1.574 -0.644 -6.565 1.00 0.00 H new ATOM 0 HB3 ALA A 36 2.721 -0.507 -5.211 1.00 0.00 H new ATOM 591 N LYS A 37 5.971 -0.909 -7.612 1.00 0.00 N ATOM 592 CA LYS A 37 7.360 -0.518 -7.402 1.00 0.00 C ATOM 593 C LYS A 37 7.507 0.997 -7.370 1.00 0.00 C ATOM 594 O LYS A 37 8.594 1.521 -7.126 1.00 0.00 O ATOM 595 CB LYS A 37 8.254 -1.111 -8.491 1.00 0.00 C ATOM 596 CG LYS A 37 9.746 -1.027 -8.194 1.00 0.00 C ATOM 597 CD LYS A 37 10.561 -1.778 -9.237 1.00 0.00 C ATOM 598 CE LYS A 37 12.035 -1.822 -8.863 1.00 0.00 C ATOM 599 NZ LYS A 37 12.834 -2.611 -9.839 1.00 0.00 N ATOM 0 H LYS A 37 5.810 -1.447 -8.463 1.00 0.00 H new ATOM 0 HA LYS A 37 7.674 -0.911 -6.435 1.00 0.00 H new ATOM 0 HB2 LYS A 37 7.983 -2.157 -8.637 1.00 0.00 H new ATOM 0 HB3 LYS A 37 8.053 -0.595 -9.430 1.00 0.00 H new ATOM 0 HG2 LYS A 37 10.056 0.018 -8.170 1.00 0.00 H new ATOM 0 HG3 LYS A 37 9.946 -1.441 -7.206 1.00 0.00 H new ATOM 0 HD2 LYS A 37 10.179 -2.794 -9.337 1.00 0.00 H new ATOM 0 HD3 LYS A 37 10.445 -1.296 -10.208 1.00 0.00 H new ATOM 0 HE2 LYS A 37 12.426 -0.806 -8.811 1.00 0.00 H new ATOM 0 HE3 LYS A 37 12.144 -2.257 -7.869 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 13.832 -2.616 -9.547 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 12.478 -3.588 -9.870 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 12.751 -2.182 -10.783 1.00 0.00 H new ATOM 613 N THR A 38 6.406 1.699 -7.620 1.00 0.00 N ATOM 614 CA THR A 38 6.352 3.141 -7.412 1.00 0.00 C ATOM 615 C THR A 38 5.517 3.489 -6.186 1.00 0.00 C ATOM 616 O THR A 38 4.595 2.759 -5.824 1.00 0.00 O ATOM 617 CB THR A 38 5.773 3.868 -8.639 1.00 0.00 C ATOM 618 OG1 THR A 38 4.386 3.535 -8.785 1.00 0.00 O ATOM 619 CG2 THR A 38 6.521 3.466 -9.900 1.00 0.00 C ATOM 0 H THR A 38 5.538 1.291 -7.967 1.00 0.00 H new ATOM 0 HA THR A 38 7.378 3.474 -7.256 1.00 0.00 H new ATOM 0 HB THR A 38 5.883 4.942 -8.490 1.00 0.00 H new ATOM 0 HG1 THR A 38 4.018 4.000 -9.565 1.00 0.00 H new ATOM 0 HG21 THR A 38 6.098 3.990 -10.757 1.00 0.00 H new ATOM 0 HG22 THR A 38 7.574 3.729 -9.798 1.00 0.00 H new ATOM 0 HG23 THR A 38 6.429 2.390 -10.051 1.00 0.00 H new ATOM 627 N VAL A 39 5.846 4.609 -5.551 1.00 0.00 N ATOM 628 CA VAL A 39 5.064 5.111 -4.428 1.00 0.00 C ATOM 629 C VAL A 39 3.676 5.551 -4.877 1.00 0.00 C ATOM 630 O VAL A 39 2.691 5.347 -4.167 1.00 0.00 O ATOM 631 CB VAL A 39 5.766 6.292 -3.733 1.00 0.00 C ATOM 632 CG1 VAL A 39 4.852 6.916 -2.689 1.00 0.00 C ATOM 633 CG2 VAL A 39 7.069 5.837 -3.095 1.00 0.00 C ATOM 0 H VAL A 39 6.650 5.187 -5.796 1.00 0.00 H new ATOM 0 HA VAL A 39 4.970 4.289 -3.719 1.00 0.00 H new ATOM 0 HB VAL A 39 5.996 7.046 -4.485 1.00 0.00 H new ATOM 0 HG11 VAL A 39 5.365 7.749 -2.208 1.00 0.00 H new ATOM 0 HG12 VAL A 39 3.944 7.278 -3.170 1.00 0.00 H new ATOM 0 HG13 VAL A 39 4.592 6.168 -1.940 1.00 0.00 H new ATOM 0 HG21 VAL A 39 7.551 6.685 -2.609 1.00 0.00 H new ATOM 0 HG22 VAL A 39 6.861 5.064 -2.355 1.00 0.00 H new ATOM 0 HG23 VAL A 39 7.730 5.436 -3.863 1.00 0.00 H new ATOM 643 N GLU A 40 3.605 6.155 -6.058 1.00 0.00 N ATOM 644 CA GLU A 40 2.339 6.634 -6.599 1.00 0.00 C ATOM 645 C GLU A 40 1.380 5.480 -6.863 1.00 0.00 C ATOM 646 O GLU A 40 0.170 5.613 -6.684 1.00 0.00 O ATOM 647 CB GLU A 40 2.571 7.429 -7.885 1.00 0.00 C ATOM 648 CG GLU A 40 3.248 8.777 -7.678 1.00 0.00 C ATOM 649 CD GLU A 40 3.541 9.449 -8.990 1.00 0.00 C ATOM 650 OE1 GLU A 40 3.286 8.855 -10.010 1.00 0.00 O ATOM 651 OE2 GLU A 40 3.914 10.598 -8.976 1.00 0.00 O ATOM 0 H GLU A 40 4.411 6.325 -6.660 1.00 0.00 H new ATOM 0 HA GLU A 40 1.887 7.290 -5.855 1.00 0.00 H new ATOM 0 HB2 GLU A 40 3.180 6.831 -8.563 1.00 0.00 H new ATOM 0 HB3 GLU A 40 1.611 7.590 -8.376 1.00 0.00 H new ATOM 0 HG2 GLU A 40 2.607 9.419 -7.073 1.00 0.00 H new ATOM 0 HG3 GLU A 40 4.176 8.639 -7.123 1.00 0.00 H new ATOM 658 N GLY A 41 1.930 4.348 -7.290 1.00 0.00 N ATOM 659 CA GLY A 41 1.136 3.142 -7.498 1.00 0.00 C ATOM 660 C GLY A 41 0.467 2.692 -6.205 1.00 0.00 C ATOM 661 O GLY A 41 -0.729 2.403 -6.182 1.00 0.00 O ATOM 0 H GLY A 41 2.923 4.240 -7.499 1.00 0.00 H new ATOM 0 HA2 GLY A 41 0.377 3.330 -8.257 1.00 0.00 H new ATOM 0 HA3 GLY A 41 1.775 2.344 -7.877 1.00 0.00 H new ATOM 665 N VAL A 42 1.248 2.635 -5.131 1.00 0.00 N ATOM 666 CA VAL A 42 0.751 2.151 -3.849 1.00 0.00 C ATOM 667 C VAL A 42 -0.411 3.003 -3.351 1.00 0.00 C ATOM 668 O VAL A 42 -1.395 2.482 -2.827 1.00 0.00 O ATOM 669 CB VAL A 42 1.860 2.138 -2.780 1.00 0.00 C ATOM 670 CG1 VAL A 42 1.280 1.802 -1.415 1.00 0.00 C ATOM 671 CG2 VAL A 42 2.950 1.145 -3.155 1.00 0.00 C ATOM 0 H VAL A 42 2.228 2.918 -5.124 1.00 0.00 H new ATOM 0 HA VAL A 42 0.405 1.130 -4.012 1.00 0.00 H new ATOM 0 HB VAL A 42 2.303 3.133 -2.731 1.00 0.00 H new ATOM 0 HG11 VAL A 42 2.077 1.797 -0.672 1.00 0.00 H new ATOM 0 HG12 VAL A 42 0.535 2.549 -1.142 1.00 0.00 H new ATOM 0 HG13 VAL A 42 0.812 0.818 -1.451 1.00 0.00 H new ATOM 0 HG21 VAL A 42 3.725 1.149 -2.389 1.00 0.00 H new ATOM 0 HG22 VAL A 42 2.521 0.146 -3.232 1.00 0.00 H new ATOM 0 HG23 VAL A 42 3.386 1.428 -4.113 1.00 0.00 H new ATOM 681 N ASN A 43 -0.288 4.316 -3.518 1.00 0.00 N ATOM 682 CA ASN A 43 -1.344 5.240 -3.120 1.00 0.00 C ATOM 683 C ASN A 43 -2.545 5.138 -4.051 1.00 0.00 C ATOM 684 O ASN A 43 -3.692 5.154 -3.604 1.00 0.00 O ATOM 685 CB ASN A 43 -0.838 6.670 -3.069 1.00 0.00 C ATOM 686 CG ASN A 43 -1.843 7.647 -2.524 1.00 0.00 C ATOM 687 OD1 ASN A 43 -2.262 7.556 -1.365 1.00 0.00 O ATOM 688 ND2 ASN A 43 -2.290 8.531 -3.379 1.00 0.00 N ATOM 0 H ASN A 43 0.532 4.764 -3.926 1.00 0.00 H new ATOM 0 HA ASN A 43 -1.661 4.955 -2.117 1.00 0.00 H new ATOM 0 HB2 ASN A 43 0.061 6.706 -2.454 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -0.550 6.980 -4.073 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -3.019 9.188 -3.100 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -1.909 8.564 -4.325 1.00 0.00 H new ATOM 695 N ALA A 44 -2.275 5.035 -5.348 1.00 0.00 N ATOM 696 CA ALA A 44 -3.334 4.952 -6.347 1.00 0.00 C ATOM 697 C ALA A 44 -4.148 3.675 -6.183 1.00 0.00 C ATOM 698 O ALA A 44 -5.377 3.700 -6.234 1.00 0.00 O ATOM 699 CB ALA A 44 -2.747 5.035 -7.748 1.00 0.00 C ATOM 0 H ALA A 44 -1.331 5.007 -5.732 1.00 0.00 H new ATOM 0 HA ALA A 44 -4.006 5.797 -6.198 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -3.549 4.972 -8.483 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -2.220 5.982 -7.866 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -2.050 4.211 -7.900 1.00 0.00 H new ATOM 705 N LEU A 45 -3.454 2.559 -5.986 1.00 0.00 N ATOM 706 CA LEU A 45 -4.112 1.278 -5.759 1.00 0.00 C ATOM 707 C LEU A 45 -4.954 1.307 -4.490 1.00 0.00 C ATOM 708 O LEU A 45 -6.139 0.974 -4.511 1.00 0.00 O ATOM 709 CB LEU A 45 -3.072 0.153 -5.684 1.00 0.00 C ATOM 710 CG LEU A 45 -2.226 -0.039 -6.950 1.00 0.00 C ATOM 711 CD1 LEU A 45 -0.844 -0.561 -6.580 1.00 0.00 C ATOM 712 CD2 LEU A 45 -2.932 -1.003 -7.892 1.00 0.00 C ATOM 0 H LEU A 45 -2.435 2.516 -5.979 1.00 0.00 H new ATOM 0 HA LEU A 45 -4.779 1.088 -6.600 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -2.404 0.353 -4.846 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -3.587 -0.782 -5.465 1.00 0.00 H new ATOM 0 HG LEU A 45 -2.105 0.919 -7.455 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -0.251 -0.694 -7.485 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -0.349 0.154 -5.923 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -0.942 -1.517 -6.066 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -2.331 -1.139 -8.791 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -3.066 -1.964 -7.396 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -3.906 -0.597 -8.165 1.00 0.00 H new ATOM 724 N LYS A 46 -4.334 1.708 -3.385 1.00 0.00 N ATOM 725 CA LYS A 46 -5.017 1.755 -2.097 1.00 0.00 C ATOM 726 C LYS A 46 -6.215 2.696 -2.144 1.00 0.00 C ATOM 727 O LYS A 46 -7.235 2.449 -1.500 1.00 0.00 O ATOM 728 CB LYS A 46 -4.051 2.187 -0.994 1.00 0.00 C ATOM 729 CG LYS A 46 -4.529 1.876 0.418 1.00 0.00 C ATOM 730 CD LYS A 46 -3.880 2.799 1.438 1.00 0.00 C ATOM 731 CE LYS A 46 -4.361 4.234 1.274 1.00 0.00 C ATOM 732 NZ LYS A 46 -3.673 5.162 2.212 1.00 0.00 N ATOM 0 H LYS A 46 -3.359 2.005 -3.356 1.00 0.00 H new ATOM 0 HA LYS A 46 -5.380 0.752 -1.875 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -3.091 1.697 -1.156 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -3.879 3.260 -1.078 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -5.613 1.980 0.468 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -4.297 0.840 0.663 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -4.109 2.450 2.445 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -2.796 2.762 1.327 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -4.187 4.560 0.249 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -5.437 4.278 1.444 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -3.444 6.048 1.718 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -4.297 5.367 3.018 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -2.796 4.721 2.556 1.00 0.00 H new ATOM 746 N ASP A 47 -6.084 3.774 -2.908 1.00 0.00 N ATOM 747 CA ASP A 47 -7.091 4.828 -2.925 1.00 0.00 C ATOM 748 C ASP A 47 -8.491 4.251 -3.090 1.00 0.00 C ATOM 749 O ASP A 47 -9.438 4.703 -2.447 1.00 0.00 O ATOM 750 CB ASP A 47 -6.802 5.830 -4.045 1.00 0.00 C ATOM 751 CG ASP A 47 -7.622 7.111 -3.972 1.00 0.00 C ATOM 752 OD1 ASP A 47 -7.493 7.821 -3.003 1.00 0.00 O ATOM 753 OD2 ASP A 47 -8.249 7.448 -4.948 1.00 0.00 O ATOM 0 H ASP A 47 -5.289 3.941 -3.525 1.00 0.00 H new ATOM 0 HA ASP A 47 -7.045 5.345 -1.967 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -5.744 6.089 -4.020 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -6.989 5.348 -5.004 1.00 0.00 H new ATOM 758 N GLU A 48 -8.614 3.249 -3.953 1.00 0.00 N ATOM 759 CA GLU A 48 -9.895 2.592 -4.187 1.00 0.00 C ATOM 760 C GLU A 48 -10.379 1.867 -2.938 1.00 0.00 C ATOM 761 O GLU A 48 -11.574 1.851 -2.642 1.00 0.00 O ATOM 762 CB GLU A 48 -9.788 1.611 -5.356 1.00 0.00 C ATOM 763 CG GLU A 48 -9.617 2.271 -6.718 1.00 0.00 C ATOM 764 CD GLU A 48 -9.414 1.247 -7.799 1.00 0.00 C ATOM 765 OE1 GLU A 48 -9.343 0.083 -7.483 1.00 0.00 O ATOM 766 OE2 GLU A 48 -9.441 1.614 -8.950 1.00 0.00 O ATOM 0 H GLU A 48 -7.841 2.873 -4.503 1.00 0.00 H new ATOM 0 HA GLU A 48 -10.624 3.363 -4.437 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -8.943 0.946 -5.180 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -10.684 0.990 -5.377 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -10.496 2.874 -6.945 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -8.764 2.949 -6.691 1.00 0.00 H new ATOM 773 N ILE A 49 -9.445 1.269 -2.208 1.00 0.00 N ATOM 774 CA ILE A 49 -9.779 0.503 -1.014 1.00 0.00 C ATOM 775 C ILE A 49 -10.085 1.422 0.163 1.00 0.00 C ATOM 776 O ILE A 49 -11.026 1.184 0.920 1.00 0.00 O ATOM 777 CB ILE A 49 -8.641 -0.458 -0.621 1.00 0.00 C ATOM 778 CG1 ILE A 49 -8.309 -1.396 -1.784 1.00 0.00 C ATOM 779 CG2 ILE A 49 -9.022 -1.255 0.617 1.00 0.00 C ATOM 780 CD1 ILE A 49 -9.444 -2.316 -2.171 1.00 0.00 C ATOM 0 H ILE A 49 -8.448 1.300 -2.423 1.00 0.00 H new ATOM 0 HA ILE A 49 -10.667 -0.081 -1.255 1.00 0.00 H new ATOM 0 HB ILE A 49 -7.754 0.131 -0.390 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -8.027 -0.798 -2.651 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -7.441 -1.998 -1.516 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -8.207 -1.929 0.881 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -9.211 -0.572 1.445 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -9.922 -1.836 0.413 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -9.132 -2.949 -3.002 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -9.712 -2.941 -1.319 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -10.307 -1.722 -2.472 1.00 0.00 H new ATOM 792 N LEU A 50 -9.284 2.472 0.310 1.00 0.00 N ATOM 793 CA LEU A 50 -9.471 3.432 1.390 1.00 0.00 C ATOM 794 C LEU A 50 -10.804 4.159 1.257 1.00 0.00 C ATOM 795 O LEU A 50 -11.450 4.480 2.254 1.00 0.00 O ATOM 796 CB LEU A 50 -8.314 4.438 1.412 1.00 0.00 C ATOM 797 CG LEU A 50 -8.356 5.458 2.558 1.00 0.00 C ATOM 798 CD1 LEU A 50 -8.189 4.747 3.894 1.00 0.00 C ATOM 799 CD2 LEU A 50 -7.261 6.495 2.357 1.00 0.00 C ATOM 0 H LEU A 50 -8.498 2.679 -0.306 1.00 0.00 H new ATOM 0 HA LEU A 50 -9.481 2.883 2.332 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -7.376 3.887 1.472 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -8.306 4.979 0.466 1.00 0.00 H new ATOM 0 HG LEU A 50 -9.321 5.965 2.560 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -8.220 5.478 4.702 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -8.996 4.026 4.026 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -7.231 4.227 3.912 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -7.292 7.219 3.171 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -6.289 6.001 2.347 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -7.416 7.009 1.408 1.00 0.00 H new ATOM 811 N LYS A 51 -11.210 4.415 0.018 1.00 0.00 N ATOM 812 CA LYS A 51 -12.465 5.108 -0.249 1.00 0.00 C ATOM 813 C LYS A 51 -13.574 4.125 -0.595 1.00 0.00 C ATOM 814 O LYS A 51 -14.618 4.512 -1.122 1.00 0.00 O ATOM 815 CB LYS A 51 -12.287 6.120 -1.382 1.00 0.00 C ATOM 816 CG LYS A 51 -11.333 7.263 -1.060 1.00 0.00 C ATOM 817 CD LYS A 51 -11.247 8.252 -2.214 1.00 0.00 C ATOM 818 CE LYS A 51 -10.312 9.407 -1.885 1.00 0.00 C ATOM 819 NZ LYS A 51 -10.197 10.370 -3.014 1.00 0.00 N ATOM 0 H LYS A 51 -10.688 4.153 -0.818 1.00 0.00 H new ATOM 0 HA LYS A 51 -12.752 5.639 0.658 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -11.923 5.597 -2.266 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -13.261 6.537 -1.637 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -11.670 7.778 -0.161 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -10.342 6.863 -0.846 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -10.894 7.740 -3.109 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -12.241 8.639 -2.439 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -10.677 9.928 -1.000 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -9.325 9.016 -1.640 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -9.551 11.141 -2.748 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -9.825 9.880 -3.852 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -11.135 10.764 -3.232 1.00 0.00 H new ATOM 833 N ALA A 52 -13.345 2.851 -0.295 1.00 0.00 N ATOM 834 CA ALA A 52 -14.327 1.809 -0.570 1.00 0.00 C ATOM 835 C ALA A 52 -15.600 2.024 0.238 1.00 0.00 C ATOM 836 O ALA A 52 -16.416 2.824 -0.128 1.00 0.00 O ATOM 837 CB ALA A 52 -13.738 0.436 -0.282 1.00 0.00 C ATOM 838 OXT ALA A 52 -15.786 1.395 1.243 1.00 0.00 O ATOM 0 H ALA A 52 -12.486 2.515 0.140 1.00 0.00 H new ATOM 0 HA ALA A 52 -14.589 1.863 -1.627 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -14.483 -0.331 -0.492 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -12.864 0.275 -0.913 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -13.444 0.379 0.766 1.00 0.00 H new