USER MOD reduce.3.24.130724 H: found=0, std=0, add=396, rem=0, adj=8 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+ 177:sc= 0.858 (180deg=0.849) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0.834 (180deg=0.834) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 160:sc= 0.039 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= -0.0215 K(o=-0.022,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= 0.281 USER MOD Single : A 43 ASN : amide:sc= -0.0178 X(o=-0.018,f=0) USER MOD Single : A 46 LYS NZ :NH3+ -136:sc= 0.709 (180deg=0.147) USER MOD Single : A 51 LYS NZ :NH3+ 168:sc= 0.959 (180deg=0.861) USER MOD ----------------------------------------------------------------- ATOM 70 N TRP A 6 13.776 1.557 0.008 1.00 0.00 N ATOM 71 CA TRP A 6 13.584 1.565 1.454 1.00 0.00 C ATOM 72 C TRP A 6 12.438 2.487 1.852 1.00 0.00 C ATOM 73 O TRP A 6 11.629 2.149 2.716 1.00 0.00 O ATOM 74 CB TRP A 6 14.871 1.995 2.161 1.00 0.00 C ATOM 75 CG TRP A 6 15.969 0.978 2.075 1.00 0.00 C ATOM 76 CD1 TRP A 6 15.832 -0.346 1.782 1.00 0.00 C ATOM 77 CD2 TRP A 6 17.369 1.201 2.282 1.00 0.00 C ATOM 78 NE1 TRP A 6 17.059 -0.964 1.795 1.00 0.00 N ATOM 79 CE2 TRP A 6 18.019 -0.032 2.099 1.00 0.00 C ATOM 80 CE3 TRP A 6 18.135 2.328 2.604 1.00 0.00 C ATOM 81 CZ2 TRP A 6 19.391 -0.174 2.227 1.00 0.00 C ATOM 82 CZ3 TRP A 6 19.512 2.185 2.732 1.00 0.00 C ATOM 83 CH2 TRP A 6 20.122 0.970 2.549 1.00 0.00 C ATOM 0 HA TRP A 6 13.330 0.551 1.763 1.00 0.00 H new ATOM 0 HB2 TRP A 6 15.219 2.932 1.726 1.00 0.00 H new ATOM 0 HB3 TRP A 6 14.651 2.193 3.210 1.00 0.00 H new ATOM 0 HD1 TRP A 6 14.894 -0.838 1.570 1.00 0.00 H new ATOM 0 HE1 TRP A 6 17.228 -1.953 1.609 1.00 0.00 H new ATOM 0 HE3 TRP A 6 17.665 3.290 2.750 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 19.874 -1.129 2.084 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 20.113 3.047 2.980 1.00 0.00 H new ATOM 0 HH2 TRP A 6 21.194 0.897 2.657 1.00 0.00 H new ATOM 94 N LEU A 7 12.375 3.652 1.216 1.00 0.00 N ATOM 95 CA LEU A 7 11.268 4.578 1.423 1.00 0.00 C ATOM 96 C LEU A 7 9.951 3.979 0.945 1.00 0.00 C ATOM 97 O LEU A 7 8.936 4.056 1.637 1.00 0.00 O ATOM 98 CB LEU A 7 11.543 5.903 0.701 1.00 0.00 C ATOM 99 CG LEU A 7 12.812 6.640 1.150 1.00 0.00 C ATOM 100 CD1 LEU A 7 13.224 7.659 0.097 1.00 0.00 C ATOM 101 CD2 LEU A 7 12.559 7.318 2.488 1.00 0.00 C ATOM 0 H LEU A 7 13.078 3.977 0.553 1.00 0.00 H new ATOM 0 HA LEU A 7 11.182 4.768 2.493 1.00 0.00 H new ATOM 0 HB2 LEU A 7 11.615 5.707 -0.369 1.00 0.00 H new ATOM 0 HB3 LEU A 7 10.688 6.563 0.848 1.00 0.00 H new ATOM 0 HG LEU A 7 13.626 5.925 1.268 1.00 0.00 H new ATOM 0 HD11 LEU A 7 14.125 8.177 0.425 1.00 0.00 H new ATOM 0 HD12 LEU A 7 13.421 7.149 -0.846 1.00 0.00 H new ATOM 0 HD13 LEU A 7 12.421 8.382 -0.043 1.00 0.00 H new ATOM 0 HD21 LEU A 7 13.460 7.841 2.807 1.00 0.00 H new ATOM 0 HD22 LEU A 7 11.742 8.032 2.385 1.00 0.00 H new ATOM 0 HD23 LEU A 7 12.293 6.567 3.232 1.00 0.00 H new ATOM 113 N LEU A 8 9.975 3.381 -0.242 1.00 0.00 N ATOM 114 CA LEU A 8 8.795 2.726 -0.793 1.00 0.00 C ATOM 115 C LEU A 8 8.360 1.553 0.076 1.00 0.00 C ATOM 116 O LEU A 8 7.167 1.333 0.288 1.00 0.00 O ATOM 117 CB LEU A 8 9.070 2.255 -2.226 1.00 0.00 C ATOM 118 CG LEU A 8 8.065 1.240 -2.786 1.00 0.00 C ATOM 119 CD1 LEU A 8 6.651 1.795 -2.679 1.00 0.00 C ATOM 120 CD2 LEU A 8 8.413 0.924 -4.232 1.00 0.00 C ATOM 0 H LEU A 8 10.800 3.337 -0.841 1.00 0.00 H new ATOM 0 HA LEU A 8 7.982 3.452 -0.809 1.00 0.00 H new ATOM 0 HB2 LEU A 8 9.085 3.126 -2.881 1.00 0.00 H new ATOM 0 HB3 LEU A 8 10.066 1.813 -2.261 1.00 0.00 H new ATOM 0 HG LEU A 8 8.115 0.319 -2.205 1.00 0.00 H new ATOM 0 HD11 LEU A 8 5.944 1.068 -3.079 1.00 0.00 H new ATOM 0 HD12 LEU A 8 6.416 1.993 -1.633 1.00 0.00 H new ATOM 0 HD13 LEU A 8 6.580 2.722 -3.248 1.00 0.00 H new ATOM 0 HD21 LEU A 8 7.699 0.203 -4.629 1.00 0.00 H new ATOM 0 HD22 LEU A 8 8.373 1.838 -4.824 1.00 0.00 H new ATOM 0 HD23 LEU A 8 9.418 0.504 -4.281 1.00 0.00 H new ATOM 132 N LYS A 9 9.333 0.800 0.577 1.00 0.00 N ATOM 133 CA LYS A 9 9.063 -0.269 1.530 1.00 0.00 C ATOM 134 C LYS A 9 8.293 0.253 2.738 1.00 0.00 C ATOM 135 O LYS A 9 7.396 -0.417 3.250 1.00 0.00 O ATOM 136 CB LYS A 9 10.368 -0.925 1.983 1.00 0.00 C ATOM 137 CG LYS A 9 10.183 -2.112 2.920 1.00 0.00 C ATOM 138 CD LYS A 9 11.493 -2.855 3.137 1.00 0.00 C ATOM 139 CE LYS A 9 12.077 -3.344 1.819 1.00 0.00 C ATOM 140 NZ LYS A 9 13.431 -3.937 1.997 1.00 0.00 N ATOM 0 H LYS A 9 10.318 0.911 0.338 1.00 0.00 H new ATOM 0 HA LYS A 9 8.447 -1.016 1.028 1.00 0.00 H new ATOM 0 HB2 LYS A 9 10.919 -1.255 1.103 1.00 0.00 H new ATOM 0 HB3 LYS A 9 10.983 -0.176 2.482 1.00 0.00 H new ATOM 0 HG2 LYS A 9 9.796 -1.765 3.878 1.00 0.00 H new ATOM 0 HG3 LYS A 9 9.440 -2.793 2.505 1.00 0.00 H new ATOM 0 HD2 LYS A 9 12.208 -2.198 3.633 1.00 0.00 H new ATOM 0 HD3 LYS A 9 11.327 -3.704 3.800 1.00 0.00 H new ATOM 0 HE2 LYS A 9 11.411 -4.086 1.380 1.00 0.00 H new ATOM 0 HE3 LYS A 9 12.134 -2.512 1.117 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 13.793 -4.258 1.076 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 14.074 -3.222 2.392 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 13.373 -4.747 2.647 1.00 0.00 H new ATOM 154 N GLU A 10 8.649 1.451 3.188 1.00 0.00 N ATOM 155 CA GLU A 10 7.933 2.103 4.277 1.00 0.00 C ATOM 156 C GLU A 10 6.575 2.616 3.815 1.00 0.00 C ATOM 157 O GLU A 10 5.606 2.606 4.573 1.00 0.00 O ATOM 158 CB GLU A 10 8.763 3.255 4.850 1.00 0.00 C ATOM 159 CG GLU A 10 9.999 2.815 5.623 1.00 0.00 C ATOM 160 CD GLU A 10 10.817 3.998 6.062 1.00 0.00 C ATOM 161 OE1 GLU A 10 10.463 5.100 5.721 1.00 0.00 O ATOM 162 OE2 GLU A 10 11.732 3.809 6.829 1.00 0.00 O ATOM 0 H GLU A 10 9.430 1.990 2.815 1.00 0.00 H new ATOM 0 HA GLU A 10 7.769 1.361 5.059 1.00 0.00 H new ATOM 0 HB2 GLU A 10 9.073 3.905 4.032 1.00 0.00 H new ATOM 0 HB3 GLU A 10 8.130 3.850 5.508 1.00 0.00 H new ATOM 0 HG2 GLU A 10 9.698 2.234 6.495 1.00 0.00 H new ATOM 0 HG3 GLU A 10 10.607 2.161 4.999 1.00 0.00 H new ATOM 169 N ALA A 11 6.512 3.066 2.566 1.00 0.00 N ATOM 170 CA ALA A 11 5.258 3.525 1.980 1.00 0.00 C ATOM 171 C ALA A 11 4.235 2.399 1.915 1.00 0.00 C ATOM 172 O ALA A 11 3.049 2.609 2.170 1.00 0.00 O ATOM 173 CB ALA A 11 5.503 4.106 0.594 1.00 0.00 C ATOM 0 H ALA A 11 7.315 3.123 1.940 1.00 0.00 H new ATOM 0 HA ALA A 11 4.852 4.308 2.621 1.00 0.00 H new ATOM 0 HB1 ALA A 11 4.558 4.444 0.169 1.00 0.00 H new ATOM 0 HB2 ALA A 11 6.190 4.949 0.669 1.00 0.00 H new ATOM 0 HB3 ALA A 11 5.937 3.341 -0.050 1.00 0.00 H new ATOM 179 N LYS A 12 4.700 1.203 1.571 1.00 0.00 N ATOM 180 CA LYS A 12 3.822 0.045 1.452 1.00 0.00 C ATOM 181 C LYS A 12 3.221 -0.332 2.800 1.00 0.00 C ATOM 182 O LYS A 12 2.019 -0.574 2.909 1.00 0.00 O ATOM 183 CB LYS A 12 4.583 -1.145 0.865 1.00 0.00 C ATOM 184 CG LYS A 12 5.019 -0.961 -0.583 1.00 0.00 C ATOM 185 CD LYS A 12 6.158 -1.903 -0.942 1.00 0.00 C ATOM 186 CE LYS A 12 6.495 -1.826 -2.424 1.00 0.00 C ATOM 187 NZ LYS A 12 7.495 -2.853 -2.821 1.00 0.00 N ATOM 0 H LYS A 12 5.681 1.010 1.369 1.00 0.00 H new ATOM 0 HA LYS A 12 3.007 0.312 0.779 1.00 0.00 H new ATOM 0 HB2 LYS A 12 5.466 -1.333 1.476 1.00 0.00 H new ATOM 0 HB3 LYS A 12 3.953 -2.032 0.932 1.00 0.00 H new ATOM 0 HG2 LYS A 12 4.173 -1.142 -1.245 1.00 0.00 H new ATOM 0 HG3 LYS A 12 5.334 0.070 -0.742 1.00 0.00 H new ATOM 0 HD2 LYS A 12 7.040 -1.651 -0.353 1.00 0.00 H new ATOM 0 HD3 LYS A 12 5.883 -2.925 -0.682 1.00 0.00 H new ATOM 0 HE2 LYS A 12 5.586 -1.959 -3.010 1.00 0.00 H new ATOM 0 HE3 LYS A 12 6.882 -0.834 -2.657 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 7.697 -2.766 -3.838 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 8.372 -2.711 -2.281 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 7.116 -3.801 -2.623 1.00 0.00 H new ATOM 201 N GLU A 13 4.064 -0.379 3.825 1.00 0.00 N ATOM 202 CA GLU A 13 3.626 -0.774 5.159 1.00 0.00 C ATOM 203 C GLU A 13 2.740 0.294 5.787 1.00 0.00 C ATOM 204 O GLU A 13 1.704 -0.013 6.376 1.00 0.00 O ATOM 205 CB GLU A 13 4.833 -1.051 6.059 1.00 0.00 C ATOM 206 CG GLU A 13 5.621 -2.299 5.688 1.00 0.00 C ATOM 207 CD GLU A 13 6.849 -2.445 6.542 1.00 0.00 C ATOM 208 OE1 GLU A 13 7.098 -1.576 7.344 1.00 0.00 O ATOM 209 OE2 GLU A 13 7.477 -3.475 6.476 1.00 0.00 O ATOM 0 H GLU A 13 5.055 -0.148 3.758 1.00 0.00 H new ATOM 0 HA GLU A 13 3.040 -1.688 5.060 1.00 0.00 H new ATOM 0 HB2 GLU A 13 5.501 -0.191 6.025 1.00 0.00 H new ATOM 0 HB3 GLU A 13 4.489 -1.146 7.089 1.00 0.00 H new ATOM 0 HG2 GLU A 13 4.988 -3.179 5.804 1.00 0.00 H new ATOM 0 HG3 GLU A 13 5.910 -2.250 4.638 1.00 0.00 H new ATOM 216 N LYS A 14 3.153 1.551 5.655 1.00 0.00 N ATOM 217 CA LYS A 14 2.497 2.649 6.355 1.00 0.00 C ATOM 218 C LYS A 14 1.089 2.878 5.822 1.00 0.00 C ATOM 219 O LYS A 14 0.167 3.167 6.584 1.00 0.00 O ATOM 220 CB LYS A 14 3.321 3.931 6.228 1.00 0.00 C ATOM 221 CG LYS A 14 4.570 3.964 7.101 1.00 0.00 C ATOM 222 CD LYS A 14 5.357 5.250 6.891 1.00 0.00 C ATOM 223 CE LYS A 14 4.510 6.475 7.204 1.00 0.00 C ATOM 224 NZ LYS A 14 5.202 7.739 6.832 1.00 0.00 N ATOM 0 H LYS A 14 3.939 1.834 5.070 1.00 0.00 H new ATOM 0 HA LYS A 14 2.423 2.377 7.408 1.00 0.00 H new ATOM 0 HB2 LYS A 14 3.617 4.057 5.186 1.00 0.00 H new ATOM 0 HB3 LYS A 14 2.690 4.782 6.485 1.00 0.00 H new ATOM 0 HG2 LYS A 14 4.286 3.876 8.150 1.00 0.00 H new ATOM 0 HG3 LYS A 14 5.202 3.106 6.869 1.00 0.00 H new ATOM 0 HD2 LYS A 14 6.242 5.245 7.527 1.00 0.00 H new ATOM 0 HD3 LYS A 14 5.706 5.301 5.860 1.00 0.00 H new ATOM 0 HE2 LYS A 14 3.563 6.408 6.668 1.00 0.00 H new ATOM 0 HE3 LYS A 14 4.273 6.490 8.268 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 4.592 8.549 7.061 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 6.093 7.816 7.362 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 5.405 7.736 5.812 1.00 0.00 H new ATOM 238 N ALA A 15 0.928 2.746 4.510 1.00 0.00 N ATOM 239 CA ALA A 15 -0.304 3.150 3.844 1.00 0.00 C ATOM 240 C ALA A 15 -1.472 2.264 4.261 1.00 0.00 C ATOM 241 O ALA A 15 -2.576 2.749 4.502 1.00 0.00 O ATOM 242 CB ALA A 15 -0.124 3.121 2.333 1.00 0.00 C ATOM 0 H ALA A 15 1.637 2.361 3.886 1.00 0.00 H new ATOM 0 HA ALA A 15 -0.533 4.171 4.149 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -1.053 3.425 1.850 1.00 0.00 H new ATOM 0 HB2 ALA A 15 0.674 3.806 2.048 1.00 0.00 H new ATOM 0 HB3 ALA A 15 0.135 2.111 2.017 1.00 0.00 H new ATOM 248 N ILE A 16 -1.219 0.962 4.342 1.00 0.00 N ATOM 249 CA ILE A 16 -2.284 -0.013 4.548 1.00 0.00 C ATOM 250 C ILE A 16 -2.808 0.037 5.977 1.00 0.00 C ATOM 251 O ILE A 16 -3.937 -0.371 6.249 1.00 0.00 O ATOM 252 CB ILE A 16 -1.808 -1.443 4.234 1.00 0.00 C ATOM 253 CG1 ILE A 16 -1.207 -1.510 2.827 1.00 0.00 C ATOM 254 CG2 ILE A 16 -2.958 -2.428 4.371 1.00 0.00 C ATOM 255 CD1 ILE A 16 -2.019 -0.782 1.781 1.00 0.00 C ATOM 0 H ILE A 16 -0.286 0.557 4.268 1.00 0.00 H new ATOM 0 HA ILE A 16 -3.089 0.250 3.862 1.00 0.00 H new ATOM 0 HB ILE A 16 -1.034 -1.716 4.952 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -0.202 -1.089 2.851 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -1.108 -2.555 2.534 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -2.604 -3.434 4.146 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -3.343 -2.399 5.390 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -3.753 -2.159 3.675 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -1.530 -0.874 0.811 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -3.017 -1.217 1.727 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -2.097 0.272 2.049 1.00 0.00 H new ATOM 267 N GLU A 17 -1.980 0.537 6.888 1.00 0.00 N ATOM 268 CA GLU A 17 -2.364 0.651 8.290 1.00 0.00 C ATOM 269 C GLU A 17 -3.741 1.285 8.435 1.00 0.00 C ATOM 270 O GLU A 17 -4.514 0.917 9.320 1.00 0.00 O ATOM 271 CB GLU A 17 -1.325 1.467 9.064 1.00 0.00 C ATOM 272 CG GLU A 17 -0.006 0.746 9.297 1.00 0.00 C ATOM 273 CD GLU A 17 -0.202 -0.504 10.110 1.00 0.00 C ATOM 274 OE1 GLU A 17 -0.827 -0.428 11.140 1.00 0.00 O ATOM 275 OE2 GLU A 17 0.176 -1.554 9.648 1.00 0.00 O ATOM 0 H GLU A 17 -1.038 0.870 6.680 1.00 0.00 H new ATOM 0 HA GLU A 17 -2.408 -0.355 8.707 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -1.129 2.391 8.521 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -1.747 1.748 10.029 1.00 0.00 H new ATOM 0 HG2 GLU A 17 0.446 0.492 8.338 1.00 0.00 H new ATOM 0 HG3 GLU A 17 0.689 1.411 9.810 1.00 0.00 H new ATOM 282 N GLU A 18 -4.043 2.239 7.561 1.00 0.00 N ATOM 283 CA GLU A 18 -5.353 2.879 7.546 1.00 0.00 C ATOM 284 C GLU A 18 -6.442 1.893 7.141 1.00 0.00 C ATOM 285 O GLU A 18 -7.547 1.915 7.683 1.00 0.00 O ATOM 286 CB GLU A 18 -5.353 4.080 6.599 1.00 0.00 C ATOM 287 CG GLU A 18 -4.427 5.213 7.020 1.00 0.00 C ATOM 288 CD GLU A 18 -4.772 5.717 8.394 1.00 0.00 C ATOM 289 OE1 GLU A 18 -5.910 6.052 8.614 1.00 0.00 O ATOM 290 OE2 GLU A 18 -3.924 5.662 9.255 1.00 0.00 O ATOM 0 H GLU A 18 -3.397 2.587 6.852 1.00 0.00 H new ATOM 0 HA GLU A 18 -5.565 3.227 8.557 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -5.065 3.742 5.604 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -6.369 4.467 6.522 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -3.394 4.866 7.006 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -4.498 6.030 6.302 1.00 0.00 H new ATOM 297 N LEU A 19 -6.123 1.028 6.183 1.00 0.00 N ATOM 298 CA LEU A 19 -7.048 -0.012 5.751 1.00 0.00 C ATOM 299 C LEU A 19 -7.319 -1.009 6.872 1.00 0.00 C ATOM 300 O LEU A 19 -8.436 -1.505 7.017 1.00 0.00 O ATOM 301 CB LEU A 19 -6.495 -0.735 4.517 1.00 0.00 C ATOM 302 CG LEU A 19 -6.919 -0.141 3.168 1.00 0.00 C ATOM 303 CD1 LEU A 19 -6.824 1.377 3.214 1.00 0.00 C ATOM 304 CD2 LEU A 19 -6.035 -0.703 2.064 1.00 0.00 C ATOM 0 H LEU A 19 -5.229 1.028 5.691 1.00 0.00 H new ATOM 0 HA LEU A 19 -7.993 0.464 5.489 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -5.406 -0.732 4.571 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -6.813 -1.777 4.553 1.00 0.00 H new ATOM 0 HG LEU A 19 -7.954 -0.412 2.961 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -7.127 1.790 2.252 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -7.480 1.759 3.996 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -5.796 1.671 3.428 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -6.337 -0.280 1.106 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -4.995 -0.444 2.263 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -6.139 -1.788 2.031 1.00 0.00 H new ATOM 316 N LYS A 20 -6.290 -1.297 7.662 1.00 0.00 N ATOM 317 CA LYS A 20 -6.446 -2.129 8.848 1.00 0.00 C ATOM 318 C LYS A 20 -7.383 -1.481 9.859 1.00 0.00 C ATOM 319 O LYS A 20 -8.179 -2.159 10.506 1.00 0.00 O ATOM 320 CB LYS A 20 -5.086 -2.402 9.493 1.00 0.00 C ATOM 321 CG LYS A 20 -4.115 -3.177 8.611 1.00 0.00 C ATOM 322 CD LYS A 20 -2.833 -3.510 9.359 1.00 0.00 C ATOM 323 CE LYS A 20 -1.802 -4.144 8.436 1.00 0.00 C ATOM 324 NZ LYS A 20 -0.491 -4.334 9.113 1.00 0.00 N ATOM 0 H LYS A 20 -5.339 -0.966 7.502 1.00 0.00 H new ATOM 0 HA LYS A 20 -6.887 -3.075 8.534 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -4.630 -1.451 9.766 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -5.241 -2.958 10.418 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -4.588 -4.097 8.268 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -3.879 -2.590 7.724 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -2.420 -2.602 9.799 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -3.055 -4.190 10.181 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -2.172 -5.108 8.086 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -1.668 -3.515 7.556 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 0.167 -4.814 8.467 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -0.100 -3.408 9.380 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -0.622 -4.913 9.967 1.00 0.00 H new ATOM 338 N LYS A 21 -7.283 -0.162 9.988 1.00 0.00 N ATOM 339 CA LYS A 21 -8.213 0.599 10.816 1.00 0.00 C ATOM 340 C LYS A 21 -9.626 0.543 10.249 1.00 0.00 C ATOM 341 O LYS A 21 -10.605 0.616 10.992 1.00 0.00 O ATOM 342 CB LYS A 21 -7.752 2.053 10.939 1.00 0.00 C ATOM 343 CG LYS A 21 -6.489 2.244 11.767 1.00 0.00 C ATOM 344 CD LYS A 21 -6.028 3.693 11.745 1.00 0.00 C ATOM 345 CE LYS A 21 -4.643 3.844 12.358 1.00 0.00 C ATOM 346 NZ LYS A 21 -4.088 5.209 12.151 1.00 0.00 N ATOM 0 H LYS A 21 -6.567 0.402 9.530 1.00 0.00 H new ATOM 0 HA LYS A 21 -8.226 0.147 11.808 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -7.581 2.453 9.940 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -8.556 2.640 11.384 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -6.676 1.935 12.796 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -5.697 1.602 11.380 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -6.014 4.057 10.718 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -6.739 4.311 12.293 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -4.694 3.631 13.426 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -3.970 3.108 11.918 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -3.144 5.269 12.584 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -4.015 5.403 11.132 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -4.717 5.910 12.593 1.00 0.00 H new ATOM 360 N ALA A 22 -9.725 0.413 8.932 1.00 0.00 N ATOM 361 CA ALA A 22 -11.017 0.430 8.255 1.00 0.00 C ATOM 362 C ALA A 22 -11.656 -0.953 8.254 1.00 0.00 C ATOM 363 O ALA A 22 -12.810 -1.114 7.857 1.00 0.00 O ATOM 364 CB ALA A 22 -10.863 0.947 6.833 1.00 0.00 C ATOM 0 H ALA A 22 -8.925 0.294 8.310 1.00 0.00 H new ATOM 0 HA ALA A 22 -11.676 1.103 8.803 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -11.836 0.954 6.341 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -10.461 1.960 6.856 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -10.182 0.298 6.282 1.00 0.00 H new ATOM 370 N GLY A 23 -10.900 -1.949 8.703 1.00 0.00 N ATOM 371 CA GLY A 23 -11.412 -3.310 8.817 1.00 0.00 C ATOM 372 C GLY A 23 -11.261 -4.066 7.503 1.00 0.00 C ATOM 373 O GLY A 23 -11.964 -5.045 7.255 1.00 0.00 O ATOM 0 H GLY A 23 -9.929 -1.839 8.994 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -10.878 -3.838 9.607 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -12.463 -3.283 9.106 1.00 0.00 H new ATOM 377 N ILE A 24 -10.339 -3.607 6.664 1.00 0.00 N ATOM 378 CA ILE A 24 -10.061 -4.266 5.394 1.00 0.00 C ATOM 379 C ILE A 24 -9.201 -5.508 5.596 1.00 0.00 C ATOM 380 O ILE A 24 -8.122 -5.438 6.182 1.00 0.00 O ATOM 381 CB ILE A 24 -9.356 -3.319 4.407 1.00 0.00 C ATOM 382 CG1 ILE A 24 -10.216 -2.079 4.149 1.00 0.00 C ATOM 383 CG2 ILE A 24 -9.052 -4.040 3.103 1.00 0.00 C ATOM 384 CD1 ILE A 24 -11.554 -2.385 3.518 1.00 0.00 C ATOM 0 H ILE A 24 -9.770 -2.779 6.842 1.00 0.00 H new ATOM 0 HA ILE A 24 -11.024 -4.558 4.974 1.00 0.00 H new ATOM 0 HB ILE A 24 -8.413 -2.998 4.849 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -10.380 -1.560 5.093 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -9.667 -1.396 3.501 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -8.554 -3.356 2.417 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -8.402 -4.892 3.301 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -9.982 -4.390 2.655 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -12.105 -1.457 3.366 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -11.399 -2.876 2.557 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -12.124 -3.043 4.174 1.00 0.00 H new ATOM 396 N THR A 25 -9.686 -6.643 5.106 1.00 0.00 N ATOM 397 CA THR A 25 -9.028 -7.923 5.341 1.00 0.00 C ATOM 398 C THR A 25 -8.573 -8.558 4.033 1.00 0.00 C ATOM 399 O THR A 25 -8.094 -9.692 4.016 1.00 0.00 O ATOM 400 CB THR A 25 -9.952 -8.906 6.082 1.00 0.00 C ATOM 401 OG1 THR A 25 -11.144 -9.118 5.314 1.00 0.00 O ATOM 402 CG2 THR A 25 -10.328 -8.357 7.451 1.00 0.00 C ATOM 0 H THR A 25 -10.534 -6.703 4.543 1.00 0.00 H new ATOM 0 HA THR A 25 -8.157 -7.717 5.964 1.00 0.00 H new ATOM 0 HB THR A 25 -9.422 -9.850 6.212 1.00 0.00 H new ATOM 0 HG1 THR A 25 -11.730 -9.745 5.786 1.00 0.00 H new ATOM 0 HG21 THR A 25 -10.981 -9.065 7.960 1.00 0.00 H new ATOM 0 HG22 THR A 25 -9.425 -8.206 8.043 1.00 0.00 H new ATOM 0 HG23 THR A 25 -10.847 -7.406 7.332 1.00 0.00 H new ATOM 410 N SER A 26 -8.727 -7.820 2.938 1.00 0.00 N ATOM 411 CA SER A 26 -8.404 -8.338 1.615 1.00 0.00 C ATOM 412 C SER A 26 -6.901 -8.310 1.364 1.00 0.00 C ATOM 413 O SER A 26 -6.327 -7.257 1.087 1.00 0.00 O ATOM 414 CB SER A 26 -9.131 -7.539 0.550 1.00 0.00 C ATOM 415 OG SER A 26 -8.802 -7.964 -0.744 1.00 0.00 O ATOM 0 H SER A 26 -9.074 -6.861 2.942 1.00 0.00 H new ATOM 0 HA SER A 26 -8.733 -9.376 1.567 1.00 0.00 H new ATOM 0 HB2 SER A 26 -10.207 -7.632 0.699 1.00 0.00 H new ATOM 0 HB3 SER A 26 -8.884 -6.483 0.658 1.00 0.00 H new ATOM 0 HG SER A 26 -9.496 -7.671 -1.371 1.00 0.00 H new ATOM 421 N ASP A 27 -6.269 -9.475 1.463 1.00 0.00 N ATOM 422 CA ASP A 27 -4.843 -9.597 1.185 1.00 0.00 C ATOM 423 C ASP A 27 -4.556 -9.437 -0.302 1.00 0.00 C ATOM 424 O ASP A 27 -3.441 -9.097 -0.697 1.00 0.00 O ATOM 425 CB ASP A 27 -4.314 -10.947 1.680 1.00 0.00 C ATOM 426 CG ASP A 27 -4.199 -11.059 3.194 1.00 0.00 C ATOM 427 OD1 ASP A 27 -4.290 -10.051 3.854 1.00 0.00 O ATOM 428 OD2 ASP A 27 -4.177 -12.162 3.687 1.00 0.00 O ATOM 0 H ASP A 27 -6.722 -10.348 1.734 1.00 0.00 H new ATOM 0 HA ASP A 27 -4.330 -8.797 1.719 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -4.973 -11.737 1.318 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -3.333 -11.123 1.239 1.00 0.00 H new ATOM 433 N TYR A 28 -5.569 -9.686 -1.126 1.00 0.00 N ATOM 434 CA TYR A 28 -5.442 -9.523 -2.569 1.00 0.00 C ATOM 435 C TYR A 28 -4.966 -8.120 -2.925 1.00 0.00 C ATOM 436 O TYR A 28 -3.946 -7.950 -3.592 1.00 0.00 O ATOM 437 CB TYR A 28 -6.775 -9.817 -3.261 1.00 0.00 C ATOM 438 CG TYR A 28 -6.760 -9.565 -4.753 1.00 0.00 C ATOM 439 CD1 TYR A 28 -6.218 -10.497 -5.626 1.00 0.00 C ATOM 440 CD2 TYR A 28 -7.288 -8.398 -5.282 1.00 0.00 C ATOM 441 CE1 TYR A 28 -6.202 -10.273 -6.990 1.00 0.00 C ATOM 442 CE2 TYR A 28 -7.278 -8.163 -6.643 1.00 0.00 C ATOM 443 CZ TYR A 28 -6.733 -9.104 -7.494 1.00 0.00 C ATOM 444 OH TYR A 28 -6.721 -8.875 -8.851 1.00 0.00 O ATOM 0 H TYR A 28 -6.488 -10.002 -0.818 1.00 0.00 H new ATOM 0 HA TYR A 28 -4.696 -10.236 -2.920 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -7.045 -10.858 -3.081 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -7.552 -9.203 -2.806 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -5.802 -11.413 -5.233 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -7.714 -7.660 -4.619 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -5.777 -11.008 -7.657 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -7.694 -7.249 -7.039 1.00 0.00 H new ATOM 0 HH TYR A 28 -7.134 -8.007 -9.040 1.00 0.00 H new ATOM 454 N TYR A 29 -5.713 -7.116 -2.477 1.00 0.00 N ATOM 455 CA TYR A 29 -5.394 -5.728 -2.785 1.00 0.00 C ATOM 456 C TYR A 29 -4.142 -5.272 -2.047 1.00 0.00 C ATOM 457 O TYR A 29 -3.415 -4.398 -2.518 1.00 0.00 O ATOM 458 CB TYR A 29 -6.573 -4.817 -2.431 1.00 0.00 C ATOM 459 CG TYR A 29 -7.787 -5.016 -3.311 1.00 0.00 C ATOM 460 CD1 TYR A 29 -7.755 -4.673 -4.654 1.00 0.00 C ATOM 461 CD2 TYR A 29 -8.962 -5.543 -2.795 1.00 0.00 C ATOM 462 CE1 TYR A 29 -8.861 -4.851 -5.463 1.00 0.00 C ATOM 463 CE2 TYR A 29 -10.073 -5.726 -3.595 1.00 0.00 C ATOM 464 CZ TYR A 29 -10.018 -5.378 -4.929 1.00 0.00 C ATOM 465 OH TYR A 29 -11.123 -5.558 -5.731 1.00 0.00 O ATOM 0 H TYR A 29 -6.544 -7.239 -1.899 1.00 0.00 H new ATOM 0 HA TYR A 29 -5.201 -5.661 -3.856 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -6.856 -4.992 -1.393 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -6.251 -3.778 -2.502 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -6.850 -4.260 -5.075 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -9.009 -5.815 -1.751 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -8.820 -4.579 -6.507 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -10.980 -6.139 -3.179 1.00 0.00 H new ATOM 0 HH TYR A 29 -11.853 -5.940 -5.201 1.00 0.00 H new ATOM 475 N PHE A 30 -3.896 -5.870 -0.886 1.00 0.00 N ATOM 476 CA PHE A 30 -2.659 -5.637 -0.151 1.00 0.00 C ATOM 477 C PHE A 30 -1.447 -6.102 -0.951 1.00 0.00 C ATOM 478 O PHE A 30 -0.352 -5.558 -0.809 1.00 0.00 O ATOM 479 CB PHE A 30 -2.699 -6.348 1.203 1.00 0.00 C ATOM 480 CG PHE A 30 -3.727 -5.793 2.148 1.00 0.00 C ATOM 481 CD1 PHE A 30 -4.657 -4.862 1.715 1.00 0.00 C ATOM 482 CD2 PHE A 30 -3.765 -6.203 3.472 1.00 0.00 C ATOM 483 CE1 PHE A 30 -5.603 -4.349 2.582 1.00 0.00 C ATOM 484 CE2 PHE A 30 -4.710 -5.693 4.342 1.00 0.00 C ATOM 485 CZ PHE A 30 -5.629 -4.766 3.897 1.00 0.00 C ATOM 0 H PHE A 30 -4.538 -6.521 -0.434 1.00 0.00 H new ATOM 0 HA PHE A 30 -2.567 -4.564 0.015 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -2.901 -7.407 1.041 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -1.716 -6.279 1.669 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -4.643 -4.533 0.686 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -3.048 -6.929 3.827 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -6.321 -3.623 2.231 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -4.729 -6.021 5.371 1.00 0.00 H new ATOM 0 HZ PHE A 30 -6.368 -4.367 4.577 1.00 0.00 H new ATOM 495 N ASP A 31 -1.651 -7.111 -1.791 1.00 0.00 N ATOM 496 CA ASP A 31 -0.590 -7.613 -2.655 1.00 0.00 C ATOM 497 C ASP A 31 -0.250 -6.609 -3.749 1.00 0.00 C ATOM 498 O ASP A 31 0.903 -6.499 -4.168 1.00 0.00 O ATOM 499 CB ASP A 31 -0.995 -8.952 -3.278 1.00 0.00 C ATOM 500 CG ASP A 31 -0.961 -10.129 -2.313 1.00 0.00 C ATOM 501 OD1 ASP A 31 -0.406 -9.986 -1.250 1.00 0.00 O ATOM 502 OD2 ASP A 31 -1.622 -11.106 -2.577 1.00 0.00 O ATOM 0 H ASP A 31 -2.542 -7.597 -1.892 1.00 0.00 H new ATOM 0 HA ASP A 31 0.298 -7.762 -2.041 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -2.002 -8.860 -3.685 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -0.331 -9.165 -4.116 1.00 0.00 H new ATOM 507 N LEU A 32 -1.260 -5.878 -4.209 1.00 0.00 N ATOM 508 CA LEU A 32 -1.105 -4.999 -5.362 1.00 0.00 C ATOM 509 C LEU A 32 -0.101 -3.889 -5.078 1.00 0.00 C ATOM 510 O LEU A 32 0.649 -3.476 -5.962 1.00 0.00 O ATOM 511 CB LEU A 32 -2.462 -4.402 -5.758 1.00 0.00 C ATOM 512 CG LEU A 32 -3.238 -5.192 -6.820 1.00 0.00 C ATOM 513 CD1 LEU A 32 -3.507 -6.606 -6.326 1.00 0.00 C ATOM 514 CD2 LEU A 32 -4.541 -4.474 -7.138 1.00 0.00 C ATOM 0 H LEU A 32 -2.195 -5.877 -3.801 1.00 0.00 H new ATOM 0 HA LEU A 32 -0.722 -5.593 -6.192 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -3.080 -4.322 -4.864 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -2.302 -3.389 -6.127 1.00 0.00 H new ATOM 0 HG LEU A 32 -2.643 -5.257 -7.731 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -4.058 -7.159 -7.087 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -2.560 -7.108 -6.127 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -4.095 -6.565 -5.409 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -5.091 -5.036 -7.893 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -5.143 -4.395 -6.233 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -4.323 -3.475 -7.517 1.00 0.00 H new ATOM 526 N ILE A 33 -0.092 -3.410 -3.839 1.00 0.00 N ATOM 527 CA ILE A 33 0.849 -2.376 -3.424 1.00 0.00 C ATOM 528 C ILE A 33 2.269 -2.925 -3.341 1.00 0.00 C ATOM 529 O ILE A 33 3.239 -2.169 -3.371 1.00 0.00 O ATOM 530 CB ILE A 33 0.462 -1.771 -2.063 1.00 0.00 C ATOM 531 CG1 ILE A 33 0.484 -2.849 -0.975 1.00 0.00 C ATOM 532 CG2 ILE A 33 -0.909 -1.117 -2.142 1.00 0.00 C ATOM 533 CD1 ILE A 33 0.999 -2.359 0.359 1.00 0.00 C ATOM 0 H ILE A 33 -0.726 -3.722 -3.104 1.00 0.00 H new ATOM 0 HA ILE A 33 0.809 -1.593 -4.182 1.00 0.00 H new ATOM 0 HB ILE A 33 1.192 -1.005 -1.803 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -0.525 -3.240 -0.843 1.00 0.00 H new ATOM 0 HG13 ILE A 33 1.106 -3.679 -1.311 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -1.167 -0.694 -1.171 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -0.891 -0.324 -2.890 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -1.653 -1.863 -2.422 1.00 0.00 H new ATOM 0 HD11 ILE A 33 0.985 -3.178 1.078 1.00 0.00 H new ATOM 0 HD12 ILE A 33 2.020 -1.995 0.244 1.00 0.00 H new ATOM 0 HD13 ILE A 33 0.364 -1.549 0.719 1.00 0.00 H new ATOM 545 N ASN A 34 2.381 -4.245 -3.236 1.00 0.00 N ATOM 546 CA ASN A 34 3.673 -4.914 -3.338 1.00 0.00 C ATOM 547 C ASN A 34 4.134 -5.003 -4.787 1.00 0.00 C ATOM 548 O ASN A 34 5.326 -4.899 -5.076 1.00 0.00 O ATOM 549 CB ASN A 34 3.632 -6.297 -2.714 1.00 0.00 C ATOM 550 CG ASN A 34 3.517 -6.280 -1.214 1.00 0.00 C ATOM 551 OD1 ASN A 34 3.895 -5.307 -0.552 1.00 0.00 O ATOM 552 ND2 ASN A 34 3.072 -7.384 -0.671 1.00 0.00 N ATOM 0 H ASN A 34 1.592 -4.873 -3.080 1.00 0.00 H new ATOM 0 HA ASN A 34 4.393 -4.312 -2.784 1.00 0.00 H new ATOM 0 HB2 ASN A 34 2.788 -6.848 -3.128 1.00 0.00 H new ATOM 0 HB3 ASN A 34 4.535 -6.839 -2.994 1.00 0.00 H new ATOM 0 HD21 ASN A 34 3.025 -7.470 0.344 1.00 0.00 H new ATOM 0 HD22 ASN A 34 2.772 -8.159 -1.263 1.00 0.00 H new ATOM 559 N LYS A 35 3.183 -5.198 -5.694 1.00 0.00 N ATOM 560 CA LYS A 35 3.444 -5.053 -7.121 1.00 0.00 C ATOM 561 C LYS A 35 3.757 -3.606 -7.479 1.00 0.00 C ATOM 562 O LYS A 35 4.368 -3.330 -8.511 1.00 0.00 O ATOM 563 CB LYS A 35 2.251 -5.551 -7.938 1.00 0.00 C ATOM 564 CG LYS A 35 2.066 -7.063 -7.924 1.00 0.00 C ATOM 565 CD LYS A 35 0.850 -7.479 -8.738 1.00 0.00 C ATOM 566 CE LYS A 35 0.672 -8.990 -8.736 1.00 0.00 C ATOM 567 NZ LYS A 35 -0.520 -9.412 -9.519 1.00 0.00 N ATOM 0 H LYS A 35 2.223 -5.457 -5.466 1.00 0.00 H new ATOM 0 HA LYS A 35 4.316 -5.660 -7.363 1.00 0.00 H new ATOM 0 HB2 LYS A 35 1.344 -5.083 -7.556 1.00 0.00 H new ATOM 0 HB3 LYS A 35 2.370 -5.221 -8.970 1.00 0.00 H new ATOM 0 HG2 LYS A 35 2.957 -7.544 -8.326 1.00 0.00 H new ATOM 0 HG3 LYS A 35 1.954 -7.408 -6.896 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -0.043 -7.005 -8.330 1.00 0.00 H new ATOM 0 HD3 LYS A 35 0.958 -7.125 -9.763 1.00 0.00 H new ATOM 0 HE2 LYS A 35 1.563 -9.461 -9.151 1.00 0.00 H new ATOM 0 HE3 LYS A 35 0.574 -9.342 -7.709 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -0.604 -10.448 -9.492 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -1.374 -8.984 -9.108 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -0.416 -9.099 -10.505 1.00 0.00 H new ATOM 581 N ALA A 36 3.334 -2.684 -6.620 1.00 0.00 N ATOM 582 CA ALA A 36 3.505 -1.260 -6.879 1.00 0.00 C ATOM 583 C ALA A 36 4.959 -0.839 -6.705 1.00 0.00 C ATOM 584 O ALA A 36 5.311 -0.179 -5.728 1.00 0.00 O ATOM 585 CB ALA A 36 2.601 -0.443 -5.968 1.00 0.00 C ATOM 0 H ALA A 36 2.870 -2.899 -5.738 1.00 0.00 H new ATOM 0 HA ALA A 36 3.223 -1.070 -7.914 1.00 0.00 H new ATOM 0 HB1 ALA A 36 2.740 0.618 -6.174 1.00 0.00 H new ATOM 0 HB2 ALA A 36 1.561 -0.714 -6.149 1.00 0.00 H new ATOM 0 HB3 ALA A 36 2.853 -0.647 -4.927 1.00 0.00 H new ATOM 591 N LYS A 37 5.799 -1.225 -7.660 1.00 0.00 N ATOM 592 CA LYS A 37 7.222 -0.912 -7.599 1.00 0.00 C ATOM 593 C LYS A 37 7.456 0.594 -7.588 1.00 0.00 C ATOM 594 O LYS A 37 8.587 1.054 -7.436 1.00 0.00 O ATOM 595 CB LYS A 37 7.961 -1.550 -8.777 1.00 0.00 C ATOM 596 CG LYS A 37 9.478 -1.538 -8.647 1.00 0.00 C ATOM 597 CD LYS A 37 10.135 -2.333 -9.766 1.00 0.00 C ATOM 598 CE LYS A 37 11.641 -2.425 -9.571 1.00 0.00 C ATOM 599 NZ LYS A 37 12.288 -3.260 -10.619 1.00 0.00 N ATOM 0 H LYS A 37 5.519 -1.755 -8.485 1.00 0.00 H new ATOM 0 HA LYS A 37 7.614 -1.324 -6.669 1.00 0.00 H new ATOM 0 HB2 LYS A 37 7.626 -2.581 -8.885 1.00 0.00 H new ATOM 0 HB3 LYS A 37 7.682 -1.027 -9.692 1.00 0.00 H new ATOM 0 HG2 LYS A 37 9.839 -0.510 -8.668 1.00 0.00 H new ATOM 0 HG3 LYS A 37 9.766 -1.957 -7.683 1.00 0.00 H new ATOM 0 HD2 LYS A 37 9.709 -3.336 -9.801 1.00 0.00 H new ATOM 0 HD3 LYS A 37 9.919 -1.862 -10.725 1.00 0.00 H new ATOM 0 HE2 LYS A 37 12.071 -1.423 -9.589 1.00 0.00 H new ATOM 0 HE3 LYS A 37 11.854 -2.846 -8.589 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 13.313 -3.297 -10.449 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 11.897 -4.223 -10.586 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 12.107 -2.844 -11.555 1.00 0.00 H new ATOM 613 N THR A 38 6.379 1.355 -7.750 1.00 0.00 N ATOM 614 CA THR A 38 6.426 2.799 -7.553 1.00 0.00 C ATOM 615 C THR A 38 5.668 3.208 -6.296 1.00 0.00 C ATOM 616 O THR A 38 4.733 2.527 -5.875 1.00 0.00 O ATOM 617 CB THR A 38 5.841 3.554 -8.761 1.00 0.00 C ATOM 618 OG1 THR A 38 4.433 3.301 -8.849 1.00 0.00 O ATOM 619 CG2 THR A 38 6.515 3.103 -10.048 1.00 0.00 C ATOM 0 H THR A 38 5.463 0.996 -8.017 1.00 0.00 H new ATOM 0 HA THR A 38 7.477 3.067 -7.444 1.00 0.00 H new ATOM 0 HB THR A 38 6.018 4.621 -8.625 1.00 0.00 H new ATOM 0 HG1 THR A 38 4.061 3.783 -9.617 1.00 0.00 H new ATOM 0 HG21 THR A 38 6.089 3.647 -10.891 1.00 0.00 H new ATOM 0 HG22 THR A 38 7.585 3.305 -9.989 1.00 0.00 H new ATOM 0 HG23 THR A 38 6.355 2.034 -10.187 1.00 0.00 H new ATOM 627 N VAL A 39 6.077 4.323 -5.702 1.00 0.00 N ATOM 628 CA VAL A 39 5.382 4.873 -4.544 1.00 0.00 C ATOM 629 C VAL A 39 3.994 5.373 -4.922 1.00 0.00 C ATOM 630 O VAL A 39 3.039 5.220 -4.160 1.00 0.00 O ATOM 631 CB VAL A 39 6.176 6.027 -3.903 1.00 0.00 C ATOM 632 CG1 VAL A 39 5.351 6.706 -2.820 1.00 0.00 C ATOM 633 CG2 VAL A 39 7.489 5.516 -3.329 1.00 0.00 C ATOM 0 H VAL A 39 6.887 4.864 -6.003 1.00 0.00 H new ATOM 0 HA VAL A 39 5.289 4.063 -3.820 1.00 0.00 H new ATOM 0 HB VAL A 39 6.400 6.761 -4.677 1.00 0.00 H new ATOM 0 HG11 VAL A 39 5.928 7.518 -2.379 1.00 0.00 H new ATOM 0 HG12 VAL A 39 4.436 7.106 -3.257 1.00 0.00 H new ATOM 0 HG13 VAL A 39 5.097 5.980 -2.048 1.00 0.00 H new ATOM 0 HG21 VAL A 39 8.037 6.345 -2.880 1.00 0.00 H new ATOM 0 HG22 VAL A 39 7.285 4.762 -2.569 1.00 0.00 H new ATOM 0 HG23 VAL A 39 8.087 5.075 -4.126 1.00 0.00 H new ATOM 643 N GLU A 40 3.887 5.973 -6.102 1.00 0.00 N ATOM 644 CA GLU A 40 2.615 6.498 -6.583 1.00 0.00 C ATOM 645 C GLU A 40 1.601 5.380 -6.788 1.00 0.00 C ATOM 646 O GLU A 40 0.404 5.567 -6.566 1.00 0.00 O ATOM 647 CB GLU A 40 2.814 7.273 -7.889 1.00 0.00 C ATOM 648 CG GLU A 40 3.552 8.594 -7.729 1.00 0.00 C ATOM 649 CD GLU A 40 3.804 9.243 -9.061 1.00 0.00 C ATOM 650 OE1 GLU A 40 3.473 8.652 -10.061 1.00 0.00 O ATOM 651 OE2 GLU A 40 4.221 10.378 -9.078 1.00 0.00 O ATOM 0 H GLU A 40 4.668 6.108 -6.744 1.00 0.00 H new ATOM 0 HA GLU A 40 2.226 7.177 -5.824 1.00 0.00 H new ATOM 0 HB2 GLU A 40 3.365 6.645 -8.590 1.00 0.00 H new ATOM 0 HB3 GLU A 40 1.838 7.467 -8.334 1.00 0.00 H new ATOM 0 HG2 GLU A 40 2.968 9.265 -7.100 1.00 0.00 H new ATOM 0 HG3 GLU A 40 4.501 8.424 -7.220 1.00 0.00 H new ATOM 658 N GLY A 41 2.086 4.218 -7.211 1.00 0.00 N ATOM 659 CA GLY A 41 1.233 3.048 -7.380 1.00 0.00 C ATOM 660 C GLY A 41 0.576 2.650 -6.064 1.00 0.00 C ATOM 661 O GLY A 41 -0.629 2.406 -6.010 1.00 0.00 O ATOM 0 H GLY A 41 3.067 4.061 -7.443 1.00 0.00 H new ATOM 0 HA2 GLY A 41 0.465 3.259 -8.124 1.00 0.00 H new ATOM 0 HA3 GLY A 41 1.825 2.215 -7.761 1.00 0.00 H new ATOM 665 N VAL A 42 1.375 2.587 -5.005 1.00 0.00 N ATOM 666 CA VAL A 42 0.893 2.134 -3.706 1.00 0.00 C ATOM 667 C VAL A 42 -0.254 3.007 -3.211 1.00 0.00 C ATOM 668 O VAL A 42 -1.239 2.505 -2.668 1.00 0.00 O ATOM 669 CB VAL A 42 2.017 2.133 -2.653 1.00 0.00 C ATOM 670 CG1 VAL A 42 1.452 1.848 -1.270 1.00 0.00 C ATOM 671 CG2 VAL A 42 3.084 1.112 -3.013 1.00 0.00 C ATOM 0 H VAL A 42 2.362 2.845 -5.021 1.00 0.00 H new ATOM 0 HA VAL A 42 0.537 1.113 -3.842 1.00 0.00 H new ATOM 0 HB VAL A 42 2.477 3.121 -2.640 1.00 0.00 H new ATOM 0 HG11 VAL A 42 2.260 1.851 -0.539 1.00 0.00 H new ATOM 0 HG12 VAL A 42 0.724 2.616 -1.009 1.00 0.00 H new ATOM 0 HG13 VAL A 42 0.966 0.872 -1.269 1.00 0.00 H new ATOM 0 HG21 VAL A 42 3.870 1.125 -2.258 1.00 0.00 H new ATOM 0 HG22 VAL A 42 2.638 0.118 -3.055 1.00 0.00 H new ATOM 0 HG23 VAL A 42 3.511 1.359 -3.985 1.00 0.00 H new ATOM 681 N ASN A 43 -0.120 4.314 -3.400 1.00 0.00 N ATOM 682 CA ASN A 43 -1.160 5.257 -3.007 1.00 0.00 C ATOM 683 C ASN A 43 -2.365 5.166 -3.934 1.00 0.00 C ATOM 684 O ASN A 43 -3.511 5.186 -3.485 1.00 0.00 O ATOM 685 CB ASN A 43 -0.635 6.680 -2.966 1.00 0.00 C ATOM 686 CG ASN A 43 -1.625 7.675 -2.429 1.00 0.00 C ATOM 687 OD1 ASN A 43 -2.049 7.596 -1.270 1.00 0.00 O ATOM 688 ND2 ASN A 43 -2.057 8.563 -3.288 1.00 0.00 N ATOM 0 H ASN A 43 0.701 4.746 -3.824 1.00 0.00 H new ATOM 0 HA ASN A 43 -1.477 4.984 -2.001 1.00 0.00 H new ATOM 0 HB2 ASN A 43 0.265 6.708 -2.351 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -0.343 6.979 -3.973 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -2.776 9.232 -3.012 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -1.674 8.586 -4.233 1.00 0.00 H new ATOM 695 N ALA A 44 -2.099 5.067 -5.232 1.00 0.00 N ATOM 696 CA ALA A 44 -3.161 5.025 -6.231 1.00 0.00 C ATOM 697 C ALA A 44 -4.007 3.767 -6.081 1.00 0.00 C ATOM 698 O ALA A 44 -5.237 3.830 -6.099 1.00 0.00 O ATOM 699 CB ALA A 44 -2.574 5.109 -7.632 1.00 0.00 C ATOM 0 H ALA A 44 -1.156 5.014 -5.617 1.00 0.00 H new ATOM 0 HA ALA A 44 -3.810 5.886 -6.071 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -3.379 5.076 -8.366 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -2.022 6.043 -7.740 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -1.900 4.268 -7.795 1.00 0.00 H new ATOM 705 N LEU A 45 -3.343 2.627 -5.935 1.00 0.00 N ATOM 706 CA LEU A 45 -4.033 1.356 -5.744 1.00 0.00 C ATOM 707 C LEU A 45 -4.884 1.377 -4.481 1.00 0.00 C ATOM 708 O LEU A 45 -6.082 1.097 -4.524 1.00 0.00 O ATOM 709 CB LEU A 45 -3.020 0.206 -5.686 1.00 0.00 C ATOM 710 CG LEU A 45 -2.161 0.030 -6.945 1.00 0.00 C ATOM 711 CD1 LEU A 45 -0.796 -0.534 -6.570 1.00 0.00 C ATOM 712 CD2 LEU A 45 -2.875 -0.891 -7.923 1.00 0.00 C ATOM 0 H LEU A 45 -2.326 2.556 -5.945 1.00 0.00 H new ATOM 0 HA LEU A 45 -4.697 1.200 -6.594 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -2.359 0.367 -4.834 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -3.559 -0.723 -5.500 1.00 0.00 H new ATOM 0 HG LEU A 45 -2.011 0.999 -7.422 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -0.193 -0.656 -7.470 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -0.294 0.151 -5.887 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -0.923 -1.502 -6.085 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -2.264 -1.016 -8.817 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -3.037 -1.862 -7.456 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -3.836 -0.456 -8.198 1.00 0.00 H new ATOM 724 N LYS A 46 -4.259 1.709 -3.357 1.00 0.00 N ATOM 725 CA LYS A 46 -4.949 1.726 -2.072 1.00 0.00 C ATOM 726 C LYS A 46 -6.108 2.713 -2.082 1.00 0.00 C ATOM 727 O LYS A 46 -7.137 2.483 -1.449 1.00 0.00 O ATOM 728 CB LYS A 46 -3.973 2.071 -0.945 1.00 0.00 C ATOM 729 CG LYS A 46 -4.450 1.668 0.444 1.00 0.00 C ATOM 730 CD LYS A 46 -3.766 2.493 1.524 1.00 0.00 C ATOM 731 CE LYS A 46 -4.326 3.907 1.578 1.00 0.00 C ATOM 732 NZ LYS A 46 -3.674 4.724 2.639 1.00 0.00 N ATOM 0 H LYS A 46 -3.274 1.970 -3.309 1.00 0.00 H new ATOM 0 HA LYS A 46 -5.353 0.729 -1.897 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -3.019 1.583 -1.144 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -3.789 3.145 -0.956 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -5.530 1.799 0.512 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -4.246 0.610 0.608 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -3.898 2.010 2.492 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -2.694 2.531 1.331 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -4.186 4.390 0.611 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -5.400 3.865 1.761 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -4.398 5.261 3.158 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -3.169 4.098 3.298 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -2.999 5.384 2.203 1.00 0.00 H new ATOM 746 N ASP A 47 -5.935 3.814 -2.805 1.00 0.00 N ATOM 747 CA ASP A 47 -6.908 4.900 -2.793 1.00 0.00 C ATOM 748 C ASP A 47 -8.324 4.372 -2.979 1.00 0.00 C ATOM 749 O ASP A 47 -9.260 4.836 -2.328 1.00 0.00 O ATOM 750 CB ASP A 47 -6.582 5.925 -3.883 1.00 0.00 C ATOM 751 CG ASP A 47 -7.370 7.224 -3.780 1.00 0.00 C ATOM 752 OD1 ASP A 47 -7.222 7.910 -2.796 1.00 0.00 O ATOM 753 OD2 ASP A 47 -7.989 7.597 -4.747 1.00 0.00 O ATOM 0 H ASP A 47 -5.129 3.978 -3.408 1.00 0.00 H new ATOM 0 HA ASP A 47 -6.850 5.388 -1.820 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -5.517 6.156 -3.841 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -6.773 5.475 -4.857 1.00 0.00 H new ATOM 758 N GLU A 48 -8.475 3.399 -3.870 1.00 0.00 N ATOM 759 CA GLU A 48 -9.774 2.786 -4.123 1.00 0.00 C ATOM 760 C GLU A 48 -10.284 2.050 -2.891 1.00 0.00 C ATOM 761 O GLU A 48 -11.472 2.100 -2.573 1.00 0.00 O ATOM 762 CB GLU A 48 -9.692 1.826 -5.311 1.00 0.00 C ATOM 763 CG GLU A 48 -9.495 2.508 -6.658 1.00 0.00 C ATOM 764 CD GLU A 48 -9.308 1.501 -7.758 1.00 0.00 C ATOM 765 OE1 GLU A 48 -9.263 0.330 -7.466 1.00 0.00 O ATOM 766 OE2 GLU A 48 -9.322 1.891 -8.902 1.00 0.00 O ATOM 0 H GLU A 48 -7.713 3.017 -4.430 1.00 0.00 H new ATOM 0 HA GLU A 48 -10.478 3.584 -4.361 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -8.868 1.131 -5.145 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -10.606 1.234 -5.348 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -10.358 3.136 -6.880 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -8.626 3.165 -6.612 1.00 0.00 H new ATOM 773 N ILE A 49 -9.379 1.365 -2.199 1.00 0.00 N ATOM 774 CA ILE A 49 -9.745 0.568 -1.034 1.00 0.00 C ATOM 775 C ILE A 49 -10.032 1.454 0.171 1.00 0.00 C ATOM 776 O ILE A 49 -10.961 1.194 0.938 1.00 0.00 O ATOM 777 CB ILE A 49 -8.639 -0.439 -0.668 1.00 0.00 C ATOM 778 CG1 ILE A 49 -8.326 -1.345 -1.861 1.00 0.00 C ATOM 779 CG2 ILE A 49 -9.052 -1.266 0.540 1.00 0.00 C ATOM 780 CD1 ILE A 49 -9.498 -2.184 -2.315 1.00 0.00 C ATOM 0 H ILE A 49 -8.385 1.346 -2.426 1.00 0.00 H new ATOM 0 HA ILE A 49 -10.648 0.019 -1.300 1.00 0.00 H new ATOM 0 HB ILE A 49 -7.736 0.115 -0.411 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -7.988 -0.729 -2.694 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -7.500 -2.005 -1.597 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -8.259 -1.973 0.785 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -9.226 -0.606 1.390 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -9.967 -1.812 0.311 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -9.198 -2.799 -3.164 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -9.823 -2.827 -1.498 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -10.319 -1.532 -2.612 1.00 0.00 H new ATOM 792 N LEU A 50 -9.232 2.502 0.334 1.00 0.00 N ATOM 793 CA LEU A 50 -9.417 3.444 1.431 1.00 0.00 C ATOM 794 C LEU A 50 -10.742 4.185 1.304 1.00 0.00 C ATOM 795 O LEU A 50 -11.425 4.428 2.297 1.00 0.00 O ATOM 796 CB LEU A 50 -8.250 4.438 1.477 1.00 0.00 C ATOM 797 CG LEU A 50 -8.307 5.459 2.622 1.00 0.00 C ATOM 798 CD1 LEU A 50 -8.205 4.745 3.963 1.00 0.00 C ATOM 799 CD2 LEU A 50 -7.180 6.468 2.461 1.00 0.00 C ATOM 0 H LEU A 50 -8.448 2.721 -0.281 1.00 0.00 H new ATOM 0 HA LEU A 50 -9.438 2.879 2.363 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -7.319 3.877 1.557 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -8.216 4.978 0.531 1.00 0.00 H new ATOM 0 HG LEU A 50 -9.259 5.989 2.589 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -8.246 5.477 4.769 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -9.034 4.045 4.066 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -7.262 4.201 4.015 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -7.221 7.192 3.274 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -6.221 5.950 2.485 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -7.289 6.986 1.508 1.00 0.00 H new ATOM 811 N LYS A 51 -11.097 4.542 0.075 1.00 0.00 N ATOM 812 CA LYS A 51 -12.349 5.244 -0.187 1.00 0.00 C ATOM 813 C LYS A 51 -13.529 4.280 -0.190 1.00 0.00 C ATOM 814 O LYS A 51 -14.670 4.681 0.040 1.00 0.00 O ATOM 815 CB LYS A 51 -12.276 5.990 -1.520 1.00 0.00 C ATOM 816 CG LYS A 51 -11.364 7.209 -1.508 1.00 0.00 C ATOM 817 CD LYS A 51 -11.207 7.796 -2.904 1.00 0.00 C ATOM 818 CE LYS A 51 -10.437 9.107 -2.869 1.00 0.00 C ATOM 819 NZ LYS A 51 -10.031 9.550 -4.231 1.00 0.00 N ATOM 0 H LYS A 51 -10.536 4.357 -0.756 1.00 0.00 H new ATOM 0 HA LYS A 51 -12.501 5.967 0.615 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -11.931 5.300 -2.290 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -13.281 6.305 -1.802 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -11.772 7.965 -0.837 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -10.386 6.930 -1.116 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -10.687 7.083 -3.544 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -12.190 7.961 -3.344 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -11.053 9.877 -2.406 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -9.550 8.990 -2.246 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -9.693 10.533 -4.190 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -9.269 8.936 -4.583 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -10.847 9.491 -4.873 1.00 0.00 H new ATOM 833 N ALA A 52 -13.248 3.009 -0.450 1.00 0.00 N ATOM 834 CA ALA A 52 -14.279 1.977 -0.435 1.00 0.00 C ATOM 835 C ALA A 52 -14.855 1.794 0.963 1.00 0.00 C ATOM 836 O ALA A 52 -15.683 2.560 1.374 1.00 0.00 O ATOM 837 CB ALA A 52 -13.720 0.662 -0.957 1.00 0.00 C ATOM 838 OXT ALA A 52 -14.481 0.887 1.652 1.00 0.00 O ATOM 0 H ALA A 52 -12.313 2.667 -0.674 1.00 0.00 H new ATOM 0 HA ALA A 52 -15.088 2.299 -1.091 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -14.501 -0.098 -0.940 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -13.368 0.797 -1.980 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -12.890 0.344 -0.326 1.00 0.00 H new