USER MOD reduce.3.24.130724 H: found=0, std=0, add=278, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 278 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLU N :NH3+ -161:sc= 0.762 (180deg=-0.00984!) USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 GLN : amide:sc=-0.00175 X(o=-0.0017,f=-0.18) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 GLN : amide:sc= -0.051 X(o=-0.051,f=-0.46) USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=-0.0044) USER MOD Single : A 18 LYS NZ :NH3+ -108:sc= 2.2 (180deg=-1.5!) USER MOD Single : A 22 ASN : amide:sc= -0.155 K(o=-0.15,f=-0.75) USER MOD Single : A 24 SER OG : rot -74:sc= 1.15 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 ASN : amide:sc= 0.00687 K(o=0.0069,f=-0.51) USER MOD Single : A 38 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00525) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 0.039 0.765 23.272 1.00 0.00 N ATOM 2 CA GLU A 1 1.301 -0.004 23.419 1.00 0.00 C ATOM 3 C GLU A 1 2.302 0.538 22.452 1.00 0.00 C ATOM 4 O GLU A 1 2.012 1.510 21.755 1.00 0.00 O ATOM 5 CB GLU A 1 1.055 -1.541 23.194 1.00 0.00 C ATOM 6 CG GLU A 1 -0.217 -2.108 23.871 1.00 0.00 C ATOM 7 CD GLU A 1 -0.423 -1.417 25.206 1.00 0.00 C ATOM 8 OE1 GLU A 1 0.263 -1.774 26.192 1.00 0.00 O ATOM 9 OE2 GLU A 1 -1.183 -0.405 25.181 1.00 0.00 O ATOM 0 H1 GLU A 1 -0.547 0.637 24.122 1.00 0.00 H new ATOM 0 H2 GLU A 1 0.259 1.774 23.152 1.00 0.00 H new ATOM 0 H3 GLU A 1 -0.481 0.423 22.439 1.00 0.00 H new ATOM 0 HA GLU A 1 1.684 0.106 24.433 1.00 0.00 H new ATOM 0 HB2 GLU A 1 0.993 -1.730 22.122 1.00 0.00 H new ATOM 0 HB3 GLU A 1 1.921 -2.090 23.565 1.00 0.00 H new ATOM 0 HG2 GLU A 1 -1.085 -1.952 23.230 1.00 0.00 H new ATOM 0 HG3 GLU A 1 -0.117 -3.184 24.016 1.00 0.00 H new ATOM 18 N ALA A 2 3.491 -0.112 22.357 1.00 0.00 N ATOM 19 CA ALA A 2 4.461 0.112 21.318 1.00 0.00 C ATOM 20 C ALA A 2 4.791 -1.284 20.891 1.00 0.00 C ATOM 21 O ALA A 2 4.859 -2.194 21.712 1.00 0.00 O ATOM 22 CB ALA A 2 5.750 0.863 21.748 1.00 0.00 C ATOM 0 H ALA A 2 3.784 -0.819 23.031 1.00 0.00 H new ATOM 0 HA ALA A 2 4.054 0.766 20.547 1.00 0.00 H new ATOM 0 HB1 ALA A 2 6.409 0.977 20.887 1.00 0.00 H new ATOM 0 HB2 ALA A 2 5.486 1.847 22.135 1.00 0.00 H new ATOM 0 HB3 ALA A 2 6.261 0.293 22.524 1.00 0.00 H new ATOM 28 N TYR A 3 4.961 -1.447 19.568 1.00 0.00 N ATOM 29 CA TYR A 3 5.163 -2.679 18.848 1.00 0.00 C ATOM 30 C TYR A 3 6.047 -2.182 17.731 1.00 0.00 C ATOM 31 O TYR A 3 7.248 -2.016 17.923 1.00 0.00 O ATOM 32 CB TYR A 3 3.796 -3.306 18.388 1.00 0.00 C ATOM 33 CG TYR A 3 3.857 -4.491 17.440 1.00 0.00 C ATOM 34 CD1 TYR A 3 4.492 -5.700 17.787 1.00 0.00 C ATOM 35 CD2 TYR A 3 3.209 -4.404 16.191 1.00 0.00 C ATOM 36 CE1 TYR A 3 4.460 -6.803 16.912 1.00 0.00 C ATOM 37 CE2 TYR A 3 3.176 -5.497 15.316 1.00 0.00 C ATOM 38 CZ TYR A 3 3.792 -6.702 15.679 1.00 0.00 C ATOM 39 OH TYR A 3 3.713 -7.803 14.799 1.00 0.00 O ATOM 0 H TYR A 3 4.957 -0.644 18.939 1.00 0.00 H new ATOM 0 HA TYR A 3 5.607 -3.503 19.407 1.00 0.00 H new ATOM 0 HB2 TYR A 3 3.250 -3.615 19.279 1.00 0.00 H new ATOM 0 HB3 TYR A 3 3.209 -2.522 17.910 1.00 0.00 H new ATOM 0 HD1 TYR A 3 5.008 -5.782 18.732 1.00 0.00 H new ATOM 0 HD2 TYR A 3 2.730 -3.479 15.904 1.00 0.00 H new ATOM 0 HE1 TYR A 3 4.948 -7.726 17.188 1.00 0.00 H new ATOM 0 HE2 TYR A 3 2.676 -5.411 14.362 1.00 0.00 H new ATOM 0 HH TYR A 3 3.212 -7.545 13.997 1.00 0.00 H new ATOM 49 N LYS A 4 5.462 -1.872 16.552 1.00 0.00 N ATOM 50 CA LYS A 4 6.162 -1.298 15.431 1.00 0.00 C ATOM 51 C LYS A 4 5.041 -0.847 14.538 1.00 0.00 C ATOM 52 O LYS A 4 4.027 -1.539 14.451 1.00 0.00 O ATOM 53 CB LYS A 4 7.085 -2.338 14.694 1.00 0.00 C ATOM 54 CG LYS A 4 8.577 -1.976 14.794 1.00 0.00 C ATOM 55 CD LYS A 4 9.507 -3.193 14.676 1.00 0.00 C ATOM 56 CE LYS A 4 10.986 -2.795 14.546 1.00 0.00 C ATOM 57 NZ LYS A 4 11.887 -3.982 14.551 1.00 0.00 N ATOM 0 H LYS A 4 4.470 -2.025 16.372 1.00 0.00 H new ATOM 0 HA LYS A 4 6.841 -0.500 15.730 1.00 0.00 H new ATOM 0 HB2 LYS A 4 6.925 -3.328 15.122 1.00 0.00 H new ATOM 0 HB3 LYS A 4 6.798 -2.394 13.644 1.00 0.00 H new ATOM 0 HG2 LYS A 4 8.824 -1.261 14.009 1.00 0.00 H new ATOM 0 HG3 LYS A 4 8.760 -1.479 15.746 1.00 0.00 H new ATOM 0 HD2 LYS A 4 9.381 -3.828 15.553 1.00 0.00 H new ATOM 0 HD3 LYS A 4 9.216 -3.785 13.808 1.00 0.00 H new ATOM 0 HE2 LYS A 4 11.131 -2.234 13.623 1.00 0.00 H new ATOM 0 HE3 LYS A 4 11.256 -2.131 15.367 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 12.875 -3.669 14.461 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 11.769 -4.504 15.443 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 11.647 -4.603 13.752 1.00 0.00 H new ATOM 71 N LYS A 5 5.214 0.308 13.846 1.00 0.00 N ATOM 72 CA LYS A 5 4.426 0.782 12.729 1.00 0.00 C ATOM 73 C LYS A 5 5.513 1.601 12.070 1.00 0.00 C ATOM 74 O LYS A 5 6.416 2.051 12.780 1.00 0.00 O ATOM 75 CB LYS A 5 3.172 1.681 13.057 1.00 0.00 C ATOM 76 CG LYS A 5 1.810 0.937 13.168 1.00 0.00 C ATOM 77 CD LYS A 5 1.457 0.375 14.566 1.00 0.00 C ATOM 78 CE LYS A 5 0.824 -1.039 14.589 1.00 0.00 C ATOM 79 NZ LYS A 5 -0.534 -1.089 13.971 1.00 0.00 N ATOM 0 H LYS A 5 5.961 0.959 14.086 1.00 0.00 H new ATOM 0 HA LYS A 5 3.946 -0.022 12.171 1.00 0.00 H new ATOM 0 HB2 LYS A 5 3.358 2.200 13.997 1.00 0.00 H new ATOM 0 HB3 LYS A 5 3.085 2.444 12.284 1.00 0.00 H new ATOM 0 HG2 LYS A 5 1.019 1.622 12.863 1.00 0.00 H new ATOM 0 HG3 LYS A 5 1.810 0.112 12.456 1.00 0.00 H new ATOM 0 HD2 LYS A 5 2.366 0.355 15.168 1.00 0.00 H new ATOM 0 HD3 LYS A 5 0.769 1.067 15.051 1.00 0.00 H new ATOM 0 HE2 LYS A 5 1.481 -1.732 14.063 1.00 0.00 H new ATOM 0 HE3 LYS A 5 0.759 -1.383 15.621 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -0.901 -2.061 14.018 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -1.174 -0.452 14.487 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -0.474 -0.789 12.977 1.00 0.00 H new ATOM 93 N ALA A 6 5.483 1.742 10.711 1.00 0.00 N ATOM 94 CA ALA A 6 6.340 2.626 9.934 1.00 0.00 C ATOM 95 C ALA A 6 5.702 3.998 9.728 1.00 0.00 C ATOM 96 O ALA A 6 5.010 4.548 10.586 1.00 0.00 O ATOM 97 CB ALA A 6 6.697 1.997 8.551 1.00 0.00 C ATOM 0 H ALA A 6 4.832 1.216 10.128 1.00 0.00 H new ATOM 0 HA ALA A 6 7.257 2.758 10.509 1.00 0.00 H new ATOM 0 HB1 ALA A 6 7.338 2.681 7.995 1.00 0.00 H new ATOM 0 HB2 ALA A 6 7.221 1.053 8.705 1.00 0.00 H new ATOM 0 HB3 ALA A 6 5.782 1.817 7.986 1.00 0.00 H new ATOM 103 N LYS A 7 5.932 4.572 8.517 1.00 0.00 N ATOM 104 CA LYS A 7 5.297 5.736 7.938 1.00 0.00 C ATOM 105 C LYS A 7 4.278 5.186 6.966 1.00 0.00 C ATOM 106 O LYS A 7 4.640 4.465 6.038 1.00 0.00 O ATOM 107 CB LYS A 7 6.279 6.687 7.192 1.00 0.00 C ATOM 108 CG LYS A 7 7.348 7.327 8.095 1.00 0.00 C ATOM 109 CD LYS A 7 8.638 6.517 8.347 1.00 0.00 C ATOM 110 CE LYS A 7 9.474 7.210 9.433 1.00 0.00 C ATOM 111 NZ LYS A 7 10.846 6.681 9.572 1.00 0.00 N ATOM 0 H LYS A 7 6.630 4.181 7.885 1.00 0.00 H new ATOM 0 HA LYS A 7 4.863 6.347 8.729 1.00 0.00 H new ATOM 0 HB2 LYS A 7 6.777 6.128 6.400 1.00 0.00 H new ATOM 0 HB3 LYS A 7 5.705 7.479 6.711 1.00 0.00 H new ATOM 0 HG2 LYS A 7 7.631 8.284 7.657 1.00 0.00 H new ATOM 0 HG3 LYS A 7 6.890 7.541 9.061 1.00 0.00 H new ATOM 0 HD2 LYS A 7 8.388 5.502 8.657 1.00 0.00 H new ATOM 0 HD3 LYS A 7 9.215 6.436 7.426 1.00 0.00 H new ATOM 0 HE2 LYS A 7 9.529 8.275 9.209 1.00 0.00 H new ATOM 0 HE3 LYS A 7 8.960 7.111 10.389 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 11.344 7.200 10.323 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 10.806 5.671 9.817 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 11.356 6.799 8.673 1.00 0.00 H new ATOM 125 N GLN A 8 2.979 5.489 7.209 1.00 0.00 N ATOM 126 CA GLN A 8 1.856 4.824 6.590 1.00 0.00 C ATOM 127 C GLN A 8 0.803 5.886 6.410 1.00 0.00 C ATOM 128 O GLN A 8 0.470 6.245 5.285 1.00 0.00 O ATOM 129 CB GLN A 8 1.342 3.629 7.455 1.00 0.00 C ATOM 130 CG GLN A 8 0.234 2.750 6.826 1.00 0.00 C ATOM 131 CD GLN A 8 0.838 1.755 5.829 1.00 0.00 C ATOM 132 OE1 GLN A 8 1.693 0.976 6.240 1.00 0.00 O ATOM 133 NE2 GLN A 8 0.409 1.729 4.544 1.00 0.00 N ATOM 0 H GLN A 8 2.700 6.223 7.860 1.00 0.00 H new ATOM 0 HA GLN A 8 2.134 4.380 5.634 1.00 0.00 H new ATOM 0 HB2 GLN A 8 2.192 2.989 7.693 1.00 0.00 H new ATOM 0 HB3 GLN A 8 0.968 4.026 8.399 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -0.299 2.211 7.609 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -0.496 3.382 6.321 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -0.303 2.389 4.231 1.00 0.00 H new ATOM 0 HE22 GLN A 8 0.798 1.050 3.890 1.00 0.00 H new ATOM 142 N ALA A 9 0.267 6.468 7.522 1.00 0.00 N ATOM 143 CA ALA A 9 -0.636 7.626 7.490 1.00 0.00 C ATOM 144 C ALA A 9 0.195 8.849 7.815 1.00 0.00 C ATOM 145 O ALA A 9 1.366 8.881 7.454 1.00 0.00 O ATOM 146 CB ALA A 9 -1.859 7.501 8.446 1.00 0.00 C ATOM 0 H ALA A 9 0.460 6.134 8.466 1.00 0.00 H new ATOM 0 HA ALA A 9 -1.078 7.697 6.496 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -2.477 8.395 8.365 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -2.448 6.626 8.171 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -1.509 7.394 9.473 1.00 0.00 H new ATOM 152 N SER A 10 -0.348 9.870 8.530 1.00 0.00 N ATOM 153 CA SER A 10 0.357 11.131 8.756 1.00 0.00 C ATOM 154 C SER A 10 0.857 11.278 10.155 1.00 0.00 C ATOM 155 O SER A 10 1.202 12.377 10.572 1.00 0.00 O ATOM 156 CB SER A 10 -0.489 12.384 8.351 1.00 0.00 C ATOM 157 OG SER A 10 -0.129 12.787 7.032 1.00 0.00 O ATOM 0 H SER A 10 -1.274 9.830 8.955 1.00 0.00 H new ATOM 0 HA SER A 10 1.223 11.085 8.096 1.00 0.00 H new ATOM 0 HB2 SER A 10 -1.552 12.149 8.395 1.00 0.00 H new ATOM 0 HB3 SER A 10 -0.313 13.199 9.054 1.00 0.00 H new ATOM 0 HG SER A 10 -0.658 13.571 6.774 1.00 0.00 H new ATOM 163 N GLN A 11 0.984 10.173 10.919 1.00 0.00 N ATOM 164 CA GLN A 11 1.258 10.217 12.348 1.00 0.00 C ATOM 165 C GLN A 11 2.726 10.367 12.702 1.00 0.00 C ATOM 166 O GLN A 11 3.064 10.578 13.860 1.00 0.00 O ATOM 167 CB GLN A 11 0.597 9.029 13.080 1.00 0.00 C ATOM 168 CG GLN A 11 1.110 7.610 12.763 1.00 0.00 C ATOM 169 CD GLN A 11 2.214 7.177 13.747 1.00 0.00 C ATOM 170 OE1 GLN A 11 2.037 7.283 14.958 1.00 0.00 O ATOM 171 NE2 GLN A 11 3.350 6.640 13.234 1.00 0.00 N ATOM 0 H GLN A 11 0.897 9.227 10.548 1.00 0.00 H new ATOM 0 HA GLN A 11 0.797 11.137 12.708 1.00 0.00 H new ATOM 0 HB2 GLN A 11 0.708 9.193 14.152 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -0.471 9.055 12.863 1.00 0.00 H new ATOM 0 HG2 GLN A 11 0.281 6.903 12.810 1.00 0.00 H new ATOM 0 HG3 GLN A 11 1.497 7.581 11.744 1.00 0.00 H new ATOM 0 HE21 GLN A 11 3.468 6.565 12.224 1.00 0.00 H new ATOM 0 HE22 GLN A 11 4.086 6.311 13.859 1.00 0.00 H new ATOM 180 N ASP A 12 3.614 10.315 11.669 1.00 0.00 N ATOM 181 CA ASP A 12 5.052 10.574 11.788 1.00 0.00 C ATOM 182 C ASP A 12 5.325 12.002 11.326 1.00 0.00 C ATOM 183 O ASP A 12 6.221 12.708 11.793 1.00 0.00 O ATOM 184 CB ASP A 12 5.865 9.565 10.911 1.00 0.00 C ATOM 185 CG ASP A 12 7.257 9.235 11.495 1.00 0.00 C ATOM 186 OD1 ASP A 12 7.281 8.659 12.614 1.00 0.00 O ATOM 187 OD2 ASP A 12 8.301 9.497 10.830 1.00 0.00 O ATOM 0 H ASP A 12 3.330 10.086 10.717 1.00 0.00 H new ATOM 0 HA ASP A 12 5.362 10.448 12.825 1.00 0.00 H new ATOM 0 HB2 ASP A 12 5.294 8.642 10.806 1.00 0.00 H new ATOM 0 HB3 ASP A 12 5.987 9.980 9.910 1.00 0.00 H new ATOM 192 N ALA A 13 4.467 12.464 10.376 1.00 0.00 N ATOM 193 CA ALA A 13 4.563 13.682 9.587 1.00 0.00 C ATOM 194 C ALA A 13 3.978 14.860 10.320 1.00 0.00 C ATOM 195 O ALA A 13 4.392 15.996 10.111 1.00 0.00 O ATOM 196 CB ALA A 13 3.799 13.545 8.239 1.00 0.00 C ATOM 0 H ALA A 13 3.627 11.936 10.137 1.00 0.00 H new ATOM 0 HA ALA A 13 5.625 13.843 9.404 1.00 0.00 H new ATOM 0 HB1 ALA A 13 3.890 14.472 7.673 1.00 0.00 H new ATOM 0 HB2 ALA A 13 4.224 12.724 7.662 1.00 0.00 H new ATOM 0 HB3 ALA A 13 2.746 13.343 8.436 1.00 0.00 H new ATOM 202 N GLU A 14 2.996 14.583 11.227 1.00 0.00 N ATOM 203 CA GLU A 14 2.409 15.540 12.158 1.00 0.00 C ATOM 204 C GLU A 14 3.163 15.568 13.478 1.00 0.00 C ATOM 205 O GLU A 14 2.999 16.473 14.295 1.00 0.00 O ATOM 206 CB GLU A 14 0.896 15.272 12.388 1.00 0.00 C ATOM 207 CG GLU A 14 0.507 13.927 13.076 1.00 0.00 C ATOM 208 CD GLU A 14 -0.291 14.093 14.359 1.00 0.00 C ATOM 209 OE1 GLU A 14 -0.496 15.254 14.797 1.00 0.00 O ATOM 210 OE2 GLU A 14 -0.694 13.070 14.960 1.00 0.00 O ATOM 0 H GLU A 14 2.592 13.651 11.317 1.00 0.00 H new ATOM 0 HA GLU A 14 2.501 16.524 11.699 1.00 0.00 H new ATOM 0 HB2 GLU A 14 0.496 16.088 12.990 1.00 0.00 H new ATOM 0 HB3 GLU A 14 0.395 15.314 11.421 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -0.074 13.328 12.375 1.00 0.00 H new ATOM 0 HG3 GLU A 14 1.416 13.368 13.296 1.00 0.00 H new ATOM 217 N GLN A 15 4.031 14.537 13.700 1.00 0.00 N ATOM 218 CA GLN A 15 4.864 14.328 14.885 1.00 0.00 C ATOM 219 C GLN A 15 6.209 14.987 14.728 1.00 0.00 C ATOM 220 O GLN A 15 6.764 15.557 15.664 1.00 0.00 O ATOM 221 CB GLN A 15 5.089 12.824 15.228 1.00 0.00 C ATOM 222 CG GLN A 15 4.658 12.420 16.647 1.00 0.00 C ATOM 223 CD GLN A 15 5.462 13.087 17.753 1.00 0.00 C ATOM 224 OE1 GLN A 15 4.847 13.807 18.534 1.00 0.00 O ATOM 225 NE2 GLN A 15 6.796 12.885 17.850 1.00 0.00 N ATOM 0 H GLN A 15 4.162 13.799 13.008 1.00 0.00 H new ATOM 0 HA GLN A 15 4.310 14.783 15.706 1.00 0.00 H new ATOM 0 HB2 GLN A 15 4.541 12.215 14.509 1.00 0.00 H new ATOM 0 HB3 GLN A 15 6.146 12.591 15.103 1.00 0.00 H new ATOM 0 HG2 GLN A 15 3.604 12.666 16.779 1.00 0.00 H new ATOM 0 HG3 GLN A 15 4.748 11.338 16.749 1.00 0.00 H new ATOM 0 HE21 GLN A 15 7.270 12.279 17.181 1.00 0.00 H new ATOM 0 HE22 GLN A 15 7.328 13.339 18.593 1.00 0.00 H new ATOM 234 N ALA A 16 6.770 14.963 13.483 1.00 0.00 N ATOM 235 CA ALA A 16 8.099 15.492 13.145 1.00 0.00 C ATOM 236 C ALA A 16 8.217 17.008 13.274 1.00 0.00 C ATOM 237 O ALA A 16 9.298 17.561 13.461 1.00 0.00 O ATOM 238 CB ALA A 16 8.508 15.077 11.713 1.00 0.00 C ATOM 0 H ALA A 16 6.288 14.563 12.678 1.00 0.00 H new ATOM 0 HA ALA A 16 8.774 15.054 13.880 1.00 0.00 H new ATOM 0 HB1 ALA A 16 9.495 15.480 11.485 1.00 0.00 H new ATOM 0 HB2 ALA A 16 8.535 13.990 11.643 1.00 0.00 H new ATOM 0 HB3 ALA A 16 7.783 15.468 11.000 1.00 0.00 H new ATOM 244 N ALA A 17 7.034 17.680 13.251 1.00 0.00 N ATOM 245 CA ALA A 17 6.850 19.095 13.524 1.00 0.00 C ATOM 246 C ALA A 17 6.650 19.356 15.013 1.00 0.00 C ATOM 247 O ALA A 17 6.839 20.477 15.478 1.00 0.00 O ATOM 248 CB ALA A 17 5.670 19.698 12.716 1.00 0.00 C ATOM 0 H ALA A 17 6.156 17.211 13.030 1.00 0.00 H new ATOM 0 HA ALA A 17 7.766 19.591 13.203 1.00 0.00 H new ATOM 0 HB1 ALA A 17 5.571 20.757 12.953 1.00 0.00 H new ATOM 0 HB2 ALA A 17 5.862 19.581 11.649 1.00 0.00 H new ATOM 0 HB3 ALA A 17 4.747 19.180 12.978 1.00 0.00 H new ATOM 254 N LYS A 18 6.326 18.306 15.830 1.00 0.00 N ATOM 255 CA LYS A 18 6.116 18.421 17.272 1.00 0.00 C ATOM 256 C LYS A 18 7.457 18.404 17.977 1.00 0.00 C ATOM 257 O LYS A 18 7.679 19.118 18.945 1.00 0.00 O ATOM 258 CB LYS A 18 5.152 17.340 17.856 1.00 0.00 C ATOM 259 CG LYS A 18 3.698 17.591 17.419 1.00 0.00 C ATOM 260 CD LYS A 18 2.732 16.438 17.744 1.00 0.00 C ATOM 261 CE LYS A 18 1.252 16.782 17.479 1.00 0.00 C ATOM 262 NZ LYS A 18 0.967 16.906 16.023 1.00 0.00 N ATOM 0 H LYS A 18 6.207 17.355 15.482 1.00 0.00 H new ATOM 0 HA LYS A 18 5.615 19.373 17.451 1.00 0.00 H new ATOM 0 HB2 LYS A 18 5.468 16.351 17.524 1.00 0.00 H new ATOM 0 HB3 LYS A 18 5.213 17.346 18.944 1.00 0.00 H new ATOM 0 HG2 LYS A 18 3.337 18.499 17.902 1.00 0.00 H new ATOM 0 HG3 LYS A 18 3.680 17.773 16.344 1.00 0.00 H new ATOM 0 HD2 LYS A 18 3.006 15.566 17.150 1.00 0.00 H new ATOM 0 HD3 LYS A 18 2.850 16.160 18.791 1.00 0.00 H new ATOM 0 HE2 LYS A 18 0.616 16.009 17.910 1.00 0.00 H new ATOM 0 HE3 LYS A 18 1.000 17.717 17.980 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 0.815 17.906 15.783 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 1.773 16.538 15.479 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 0.113 16.361 15.789 1.00 0.00 H new ATOM 276 N ASP A 19 8.450 17.680 17.403 1.00 0.00 N ATOM 277 CA ASP A 19 9.831 17.628 17.877 1.00 0.00 C ATOM 278 C ASP A 19 10.677 18.776 17.314 1.00 0.00 C ATOM 279 O ASP A 19 11.860 18.926 17.606 1.00 0.00 O ATOM 280 CB ASP A 19 10.446 16.220 17.593 1.00 0.00 C ATOM 281 CG ASP A 19 11.287 15.744 18.777 1.00 0.00 C ATOM 282 OD1 ASP A 19 10.819 15.887 19.941 1.00 0.00 O ATOM 283 OD2 ASP A 19 12.389 15.191 18.528 1.00 0.00 O ATOM 0 H ASP A 19 8.294 17.105 16.575 1.00 0.00 H new ATOM 0 HA ASP A 19 9.831 17.772 18.957 1.00 0.00 H new ATOM 0 HB2 ASP A 19 9.649 15.503 17.397 1.00 0.00 H new ATOM 0 HB3 ASP A 19 11.064 16.263 16.696 1.00 0.00 H new ATOM 288 N ALA A 20 10.011 19.671 16.524 1.00 0.00 N ATOM 289 CA ALA A 20 10.474 20.998 16.147 1.00 0.00 C ATOM 290 C ALA A 20 10.005 22.036 17.149 1.00 0.00 C ATOM 291 O ALA A 20 10.743 22.974 17.446 1.00 0.00 O ATOM 292 CB ALA A 20 10.018 21.442 14.728 1.00 0.00 C ATOM 0 H ALA A 20 9.097 19.455 16.126 1.00 0.00 H new ATOM 0 HA ALA A 20 11.562 20.930 16.139 1.00 0.00 H new ATOM 0 HB1 ALA A 20 10.401 22.441 14.518 1.00 0.00 H new ATOM 0 HB2 ALA A 20 10.403 20.742 13.986 1.00 0.00 H new ATOM 0 HB3 ALA A 20 8.929 21.455 14.683 1.00 0.00 H new ATOM 298 N GLU A 21 8.748 21.894 17.690 1.00 0.00 N ATOM 299 CA GLU A 21 8.101 22.861 18.586 1.00 0.00 C ATOM 300 C GLU A 21 8.482 22.615 20.030 1.00 0.00 C ATOM 301 O GLU A 21 8.903 23.529 20.732 1.00 0.00 O ATOM 302 CB GLU A 21 6.543 22.952 18.440 1.00 0.00 C ATOM 303 CG GLU A 21 5.674 21.908 19.191 1.00 0.00 C ATOM 304 CD GLU A 21 4.254 21.913 18.674 1.00 0.00 C ATOM 305 OE1 GLU A 21 4.052 21.369 17.556 1.00 0.00 O ATOM 306 OE2 GLU A 21 3.375 22.451 19.397 1.00 0.00 O ATOM 0 H GLU A 21 8.163 21.081 17.498 1.00 0.00 H new ATOM 0 HA GLU A 21 8.484 23.830 18.267 1.00 0.00 H new ATOM 0 HB2 GLU A 21 6.235 23.943 18.773 1.00 0.00 H new ATOM 0 HB3 GLU A 21 6.303 22.883 17.379 1.00 0.00 H new ATOM 0 HG2 GLU A 21 6.106 20.915 19.069 1.00 0.00 H new ATOM 0 HG3 GLU A 21 5.677 22.128 20.259 1.00 0.00 H new ATOM 313 N ASN A 22 8.452 21.317 20.471 1.00 0.00 N ATOM 314 CA ASN A 22 8.806 20.748 21.774 1.00 0.00 C ATOM 315 C ASN A 22 10.259 20.899 22.095 1.00 0.00 C ATOM 316 O ASN A 22 10.652 20.695 23.237 1.00 0.00 O ATOM 317 CB ASN A 22 8.548 19.199 21.899 1.00 0.00 C ATOM 318 CG ASN A 22 7.067 18.825 21.850 1.00 0.00 C ATOM 319 OD1 ASN A 22 6.204 19.586 22.274 1.00 0.00 O ATOM 320 ND2 ASN A 22 6.756 17.600 21.349 1.00 0.00 N ATOM 0 H ASN A 22 8.142 20.580 19.837 1.00 0.00 H new ATOM 0 HA ASN A 22 8.162 21.310 22.451 1.00 0.00 H new ATOM 0 HB2 ASN A 22 9.072 18.685 21.093 1.00 0.00 H new ATOM 0 HB3 ASN A 22 8.975 18.841 22.836 1.00 0.00 H new ATOM 0 HD21 ASN A 22 5.784 17.293 21.319 1.00 0.00 H new ATOM 0 HD22 ASN A 22 7.495 16.988 21.003 1.00 0.00 H new ATOM 327 N ALA A 23 11.088 21.321 21.107 1.00 0.00 N ATOM 328 CA ALA A 23 12.516 21.566 21.222 1.00 0.00 C ATOM 329 C ALA A 23 12.823 22.865 21.946 1.00 0.00 C ATOM 330 O ALA A 23 13.836 22.981 22.623 1.00 0.00 O ATOM 331 CB ALA A 23 13.199 21.608 19.831 1.00 0.00 C ATOM 0 H ALA A 23 10.742 21.504 20.165 1.00 0.00 H new ATOM 0 HA ALA A 23 12.912 20.734 21.804 1.00 0.00 H new ATOM 0 HB1 ALA A 23 14.266 21.793 19.955 1.00 0.00 H new ATOM 0 HB2 ALA A 23 13.053 20.654 19.325 1.00 0.00 H new ATOM 0 HB3 ALA A 23 12.759 22.407 19.234 1.00 0.00 H new ATOM 337 N SER A 24 11.931 23.887 21.827 1.00 0.00 N ATOM 338 CA SER A 24 12.031 25.185 22.491 1.00 0.00 C ATOM 339 C SER A 24 11.330 25.218 23.833 1.00 0.00 C ATOM 340 O SER A 24 11.653 26.021 24.712 1.00 0.00 O ATOM 341 CB SER A 24 11.508 26.305 21.520 1.00 0.00 C ATOM 342 OG SER A 24 11.767 27.635 21.955 1.00 0.00 O ATOM 0 H SER A 24 11.099 23.811 21.242 1.00 0.00 H new ATOM 0 HA SER A 24 13.081 25.372 22.717 1.00 0.00 H new ATOM 0 HB2 SER A 24 11.965 26.161 20.541 1.00 0.00 H new ATOM 0 HB3 SER A 24 10.433 26.182 21.390 1.00 0.00 H new ATOM 0 HG SER A 24 11.163 27.861 22.693 1.00 0.00 H new ATOM 348 N LYS A 25 10.364 24.294 24.057 1.00 0.00 N ATOM 349 CA LYS A 25 9.407 24.291 25.164 1.00 0.00 C ATOM 350 C LYS A 25 10.024 24.015 26.541 1.00 0.00 C ATOM 351 O LYS A 25 9.487 24.420 27.573 1.00 0.00 O ATOM 352 CB LYS A 25 8.311 23.230 24.867 1.00 0.00 C ATOM 353 CG LYS A 25 7.337 23.585 23.733 1.00 0.00 C ATOM 354 CD LYS A 25 6.352 24.744 23.962 1.00 0.00 C ATOM 355 CE LYS A 25 5.320 24.783 22.811 1.00 0.00 C ATOM 356 NZ LYS A 25 4.349 25.901 22.935 1.00 0.00 N ATOM 0 H LYS A 25 10.234 23.497 23.434 1.00 0.00 H new ATOM 0 HA LYS A 25 8.996 25.299 25.222 1.00 0.00 H new ATOM 0 HB2 LYS A 25 8.800 22.287 24.621 1.00 0.00 H new ATOM 0 HB3 LYS A 25 7.736 23.063 25.778 1.00 0.00 H new ATOM 0 HG2 LYS A 25 7.927 23.819 22.847 1.00 0.00 H new ATOM 0 HG3 LYS A 25 6.755 22.693 23.502 1.00 0.00 H new ATOM 0 HD2 LYS A 25 5.842 24.618 24.917 1.00 0.00 H new ATOM 0 HD3 LYS A 25 6.892 25.689 24.012 1.00 0.00 H new ATOM 0 HE2 LYS A 25 5.847 24.872 21.861 1.00 0.00 H new ATOM 0 HE3 LYS A 25 4.776 23.839 22.787 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 3.684 25.874 22.135 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 3.822 25.806 23.827 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 4.860 26.807 22.930 1.00 0.00 H new ATOM 370 N GLU A 26 11.215 23.357 26.522 1.00 0.00 N ATOM 371 CA GLU A 26 12.100 23.092 27.659 1.00 0.00 C ATOM 372 C GLU A 26 13.015 24.284 27.979 1.00 0.00 C ATOM 373 O GLU A 26 13.477 24.452 29.105 1.00 0.00 O ATOM 374 CB GLU A 26 12.919 21.766 27.437 1.00 0.00 C ATOM 375 CG GLU A 26 14.066 21.485 28.454 1.00 0.00 C ATOM 376 CD GLU A 26 14.464 20.003 28.620 1.00 0.00 C ATOM 377 OE1 GLU A 26 14.271 19.209 27.662 1.00 0.00 O ATOM 378 OE2 GLU A 26 14.980 19.653 29.713 1.00 0.00 O ATOM 0 H GLU A 26 11.594 22.980 25.653 1.00 0.00 H new ATOM 0 HA GLU A 26 11.467 22.951 28.535 1.00 0.00 H new ATOM 0 HB2 GLU A 26 12.225 20.926 27.464 1.00 0.00 H new ATOM 0 HB3 GLU A 26 13.348 21.793 26.436 1.00 0.00 H new ATOM 0 HG2 GLU A 26 14.947 22.046 28.144 1.00 0.00 H new ATOM 0 HG3 GLU A 26 13.767 21.873 29.428 1.00 0.00 H new ATOM 385 N ALA A 27 13.269 25.203 27.003 1.00 0.00 N ATOM 386 CA ALA A 27 14.104 26.387 27.161 1.00 0.00 C ATOM 387 C ALA A 27 13.277 27.578 27.615 1.00 0.00 C ATOM 388 O ALA A 27 13.685 28.321 28.507 1.00 0.00 O ATOM 389 CB ALA A 27 14.877 26.721 25.864 1.00 0.00 C ATOM 0 H ALA A 27 12.878 25.120 26.065 1.00 0.00 H new ATOM 0 HA ALA A 27 14.840 26.164 27.934 1.00 0.00 H new ATOM 0 HB1 ALA A 27 15.488 27.610 26.023 1.00 0.00 H new ATOM 0 HB2 ALA A 27 15.520 25.882 25.597 1.00 0.00 H new ATOM 0 HB3 ALA A 27 14.169 26.907 25.056 1.00 0.00 H new ATOM 395 N GLU A 28 12.039 27.718 27.047 1.00 0.00 N ATOM 396 CA GLU A 28 11.025 28.727 27.391 1.00 0.00 C ATOM 397 C GLU A 28 10.291 28.450 28.718 1.00 0.00 C ATOM 398 O GLU A 28 9.487 29.260 29.176 1.00 0.00 O ATOM 399 CB GLU A 28 9.974 28.914 26.237 1.00 0.00 C ATOM 400 CG GLU A 28 10.499 29.695 25.006 1.00 0.00 C ATOM 401 CD GLU A 28 9.592 29.486 23.784 1.00 0.00 C ATOM 402 OE1 GLU A 28 9.723 28.356 23.230 1.00 0.00 O ATOM 403 OE2 GLU A 28 8.799 30.382 23.381 1.00 0.00 O ATOM 0 H GLU A 28 11.722 27.094 26.305 1.00 0.00 H new ATOM 0 HA GLU A 28 11.589 29.651 27.523 1.00 0.00 H new ATOM 0 HB2 GLU A 28 9.635 27.931 25.910 1.00 0.00 H new ATOM 0 HB3 GLU A 28 9.104 29.435 26.637 1.00 0.00 H new ATOM 0 HG2 GLU A 28 10.554 30.757 25.243 1.00 0.00 H new ATOM 0 HG3 GLU A 28 11.512 29.368 24.770 1.00 0.00 H new ATOM 410 N GLU A 29 10.610 27.315 29.402 1.00 0.00 N ATOM 411 CA GLU A 29 10.079 26.872 30.689 1.00 0.00 C ATOM 412 C GLU A 29 10.829 27.523 31.834 1.00 0.00 C ATOM 413 O GLU A 29 10.234 27.895 32.842 1.00 0.00 O ATOM 414 CB GLU A 29 10.099 25.321 30.835 1.00 0.00 C ATOM 415 CG GLU A 29 9.600 24.723 32.184 1.00 0.00 C ATOM 416 CD GLU A 29 10.773 24.154 32.994 1.00 0.00 C ATOM 417 OE1 GLU A 29 11.836 24.831 33.024 1.00 0.00 O ATOM 418 OE2 GLU A 29 10.620 23.039 33.557 1.00 0.00 O ATOM 0 H GLU A 29 11.291 26.654 29.030 1.00 0.00 H new ATOM 0 HA GLU A 29 9.036 27.187 30.727 1.00 0.00 H new ATOM 0 HB2 GLU A 29 9.492 24.899 30.034 1.00 0.00 H new ATOM 0 HB3 GLU A 29 11.122 24.980 30.673 1.00 0.00 H new ATOM 0 HG2 GLU A 29 9.092 25.494 32.763 1.00 0.00 H new ATOM 0 HG3 GLU A 29 8.870 23.937 31.991 1.00 0.00 H new ATOM 425 N ALA A 30 12.156 27.781 31.667 1.00 0.00 N ATOM 426 CA ALA A 30 13.043 28.353 32.680 1.00 0.00 C ATOM 427 C ALA A 30 12.910 29.873 32.739 1.00 0.00 C ATOM 428 O ALA A 30 13.216 30.530 33.733 1.00 0.00 O ATOM 429 CB ALA A 30 14.512 27.941 32.405 1.00 0.00 C ATOM 0 H ALA A 30 12.638 27.585 30.790 1.00 0.00 H new ATOM 0 HA ALA A 30 12.746 27.957 33.651 1.00 0.00 H new ATOM 0 HB1 ALA A 30 15.160 28.374 33.167 1.00 0.00 H new ATOM 0 HB2 ALA A 30 14.596 26.855 32.432 1.00 0.00 H new ATOM 0 HB3 ALA A 30 14.814 28.304 31.423 1.00 0.00 H new ATOM 435 N ALA A 31 12.310 30.432 31.654 1.00 0.00 N ATOM 436 CA ALA A 31 11.868 31.809 31.498 1.00 0.00 C ATOM 437 C ALA A 31 10.538 32.048 32.171 1.00 0.00 C ATOM 438 O ALA A 31 10.169 33.183 32.471 1.00 0.00 O ATOM 439 CB ALA A 31 11.718 32.189 30.005 1.00 0.00 C ATOM 0 H ALA A 31 12.118 29.879 30.819 1.00 0.00 H new ATOM 0 HA ALA A 31 12.635 32.426 31.966 1.00 0.00 H new ATOM 0 HB1 ALA A 31 11.386 33.224 29.925 1.00 0.00 H new ATOM 0 HB2 ALA A 31 12.679 32.076 29.502 1.00 0.00 H new ATOM 0 HB3 ALA A 31 10.983 31.535 29.535 1.00 0.00 H new ATOM 445 N LYS A 32 9.787 30.956 32.482 1.00 0.00 N ATOM 446 CA LYS A 32 8.518 31.044 33.178 1.00 0.00 C ATOM 447 C LYS A 32 8.695 31.179 34.679 1.00 0.00 C ATOM 448 O LYS A 32 8.043 32.022 35.276 1.00 0.00 O ATOM 449 CB LYS A 32 7.602 29.818 32.884 1.00 0.00 C ATOM 450 CG LYS A 32 6.130 29.980 33.308 1.00 0.00 C ATOM 451 CD LYS A 32 5.346 28.668 33.378 1.00 0.00 C ATOM 452 CE LYS A 32 5.278 27.914 32.045 1.00 0.00 C ATOM 453 NZ LYS A 32 4.371 26.741 32.154 1.00 0.00 N ATOM 0 H LYS A 32 10.063 30.002 32.248 1.00 0.00 H new ATOM 0 HA LYS A 32 8.038 31.945 32.797 1.00 0.00 H new ATOM 0 HB2 LYS A 32 7.634 29.609 31.815 1.00 0.00 H new ATOM 0 HB3 LYS A 32 8.015 28.946 33.391 1.00 0.00 H new ATOM 0 HG2 LYS A 32 6.097 30.462 34.285 1.00 0.00 H new ATOM 0 HG3 LYS A 32 5.633 30.649 32.605 1.00 0.00 H new ATOM 0 HD2 LYS A 32 5.804 28.022 34.127 1.00 0.00 H new ATOM 0 HD3 LYS A 32 4.332 28.880 33.717 1.00 0.00 H new ATOM 0 HE2 LYS A 32 4.924 28.583 31.260 1.00 0.00 H new ATOM 0 HE3 LYS A 32 6.276 27.584 31.756 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 4.337 26.242 31.242 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 4.725 26.096 32.889 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 3.415 27.063 32.408 1.00 0.00 H new ATOM 467 N GLU A 33 9.546 30.341 35.330 1.00 0.00 N ATOM 468 CA GLU A 33 9.619 30.291 36.786 1.00 0.00 C ATOM 469 C GLU A 33 10.793 31.060 37.373 1.00 0.00 C ATOM 470 O GLU A 33 10.924 31.148 38.591 1.00 0.00 O ATOM 471 CB GLU A 33 9.579 28.833 37.331 1.00 0.00 C ATOM 472 CG GLU A 33 8.388 28.014 36.765 1.00 0.00 C ATOM 473 CD GLU A 33 8.057 26.770 37.594 1.00 0.00 C ATOM 474 OE1 GLU A 33 8.783 26.452 38.572 1.00 0.00 O ATOM 475 OE2 GLU A 33 7.031 26.122 37.243 1.00 0.00 O ATOM 0 H GLU A 33 10.182 29.699 34.857 1.00 0.00 H new ATOM 0 HA GLU A 33 8.719 30.804 37.125 1.00 0.00 H new ATOM 0 HB2 GLU A 33 10.513 28.330 37.080 1.00 0.00 H new ATOM 0 HB3 GLU A 33 9.513 28.858 38.419 1.00 0.00 H new ATOM 0 HG2 GLU A 33 7.507 28.654 36.716 1.00 0.00 H new ATOM 0 HG3 GLU A 33 8.618 27.710 35.744 1.00 0.00 H new ATOM 482 N ALA A 34 11.724 31.595 36.537 1.00 0.00 N ATOM 483 CA ALA A 34 12.807 32.483 36.968 1.00 0.00 C ATOM 484 C ALA A 34 12.475 33.970 36.903 1.00 0.00 C ATOM 485 O ALA A 34 12.728 34.716 37.846 1.00 0.00 O ATOM 486 CB ALA A 34 14.156 32.188 36.258 1.00 0.00 C ATOM 0 H ALA A 34 11.732 31.411 35.534 1.00 0.00 H new ATOM 0 HA ALA A 34 12.924 32.245 38.025 1.00 0.00 H new ATOM 0 HB1 ALA A 34 14.917 32.879 36.621 1.00 0.00 H new ATOM 0 HB2 ALA A 34 14.464 31.165 36.472 1.00 0.00 H new ATOM 0 HB3 ALA A 34 14.036 32.313 35.182 1.00 0.00 H new ATOM 492 N VAL A 35 11.952 34.446 35.736 1.00 0.00 N ATOM 493 CA VAL A 35 12.018 35.822 35.239 1.00 0.00 C ATOM 494 C VAL A 35 10.744 36.591 35.586 1.00 0.00 C ATOM 495 O VAL A 35 10.646 37.817 35.489 1.00 0.00 O ATOM 496 CB VAL A 35 12.279 35.772 33.719 1.00 0.00 C ATOM 497 CG1 VAL A 35 12.484 37.159 33.079 1.00 0.00 C ATOM 498 CG2 VAL A 35 13.543 34.914 33.470 1.00 0.00 C ATOM 0 H VAL A 35 11.449 33.834 35.094 1.00 0.00 H new ATOM 0 HA VAL A 35 12.834 36.361 35.720 1.00 0.00 H new ATOM 0 HB VAL A 35 11.392 35.342 33.254 1.00 0.00 H new ATOM 0 HG11 VAL A 35 12.662 37.044 32.010 1.00 0.00 H new ATOM 0 HG12 VAL A 35 11.593 37.767 33.235 1.00 0.00 H new ATOM 0 HG13 VAL A 35 13.342 37.649 33.539 1.00 0.00 H new ATOM 0 HG21 VAL A 35 13.745 34.866 32.400 1.00 0.00 H new ATOM 0 HG22 VAL A 35 14.395 35.364 33.980 1.00 0.00 H new ATOM 0 HG23 VAL A 35 13.381 33.907 33.854 1.00 0.00 H new ATOM 508 N ASN A 36 9.728 35.835 36.033 1.00 0.00 N ATOM 509 CA ASN A 36 8.455 36.291 36.511 1.00 0.00 C ATOM 510 C ASN A 36 8.128 35.080 37.336 1.00 0.00 C ATOM 511 O ASN A 36 8.840 34.087 37.198 1.00 0.00 O ATOM 512 CB ASN A 36 7.402 36.640 35.396 1.00 0.00 C ATOM 513 CG ASN A 36 6.744 35.459 34.653 1.00 0.00 C ATOM 514 OD1 ASN A 36 5.576 35.203 34.939 1.00 0.00 O ATOM 515 ND2 ASN A 36 7.420 34.757 33.718 1.00 0.00 N ATOM 0 H ASN A 36 9.802 34.818 36.063 1.00 0.00 H new ATOM 0 HA ASN A 36 8.455 37.248 37.033 1.00 0.00 H new ATOM 0 HB2 ASN A 36 6.611 37.235 35.853 1.00 0.00 H new ATOM 0 HB3 ASN A 36 7.891 37.274 34.656 1.00 0.00 H new ATOM 0 HD21 ASN A 36 6.962 33.990 33.226 1.00 0.00 H new ATOM 0 HD22 ASN A 36 8.389 34.994 33.503 1.00 0.00 H new ATOM 522 N LEU A 37 7.082 35.117 38.175 1.00 0.00 N ATOM 523 CA LEU A 37 6.613 33.943 38.874 1.00 0.00 C ATOM 524 C LEU A 37 5.159 34.253 39.068 1.00 0.00 C ATOM 525 O LEU A 37 4.712 34.356 40.201 1.00 0.00 O ATOM 526 CB LEU A 37 7.281 33.675 40.276 1.00 0.00 C ATOM 527 CG LEU A 37 8.753 33.186 40.247 1.00 0.00 C ATOM 528 CD1 LEU A 37 9.779 34.300 40.531 1.00 0.00 C ATOM 529 CD2 LEU A 37 8.974 31.980 41.174 1.00 0.00 C ATOM 0 H LEU A 37 6.550 35.963 38.378 1.00 0.00 H new ATOM 0 HA LEU A 37 6.848 33.042 38.307 1.00 0.00 H new ATOM 0 HB2 LEU A 37 7.236 34.595 40.859 1.00 0.00 H new ATOM 0 HB3 LEU A 37 6.683 32.933 40.805 1.00 0.00 H new ATOM 0 HG LEU A 37 8.930 32.863 39.221 1.00 0.00 H new ATOM 0 HD11 LEU A 37 10.786 33.885 40.494 1.00 0.00 H new ATOM 0 HD12 LEU A 37 9.682 35.084 39.780 1.00 0.00 H new ATOM 0 HD13 LEU A 37 9.596 34.720 41.520 1.00 0.00 H new ATOM 0 HD21 LEU A 37 10.018 31.669 41.124 1.00 0.00 H new ATOM 0 HD22 LEU A 37 8.727 32.258 42.198 1.00 0.00 H new ATOM 0 HD23 LEU A 37 8.334 31.156 40.858 1.00 0.00 H new ATOM 541 N LYS A 38 4.389 34.473 37.974 1.00 0.00 N ATOM 542 CA LYS A 38 2.959 34.735 38.054 1.00 0.00 C ATOM 543 C LYS A 38 2.163 33.467 37.706 1.00 0.00 C ATOM 544 O LYS A 38 1.064 33.286 38.303 1.00 0.00 O ATOM 545 CB LYS A 38 2.461 35.801 37.057 1.00 0.00 C ATOM 546 CG LYS A 38 3.149 37.160 37.190 1.00 0.00 C ATOM 547 CD LYS A 38 2.459 38.215 36.314 1.00 0.00 C ATOM 548 CE LYS A 38 3.258 39.509 36.136 1.00 0.00 C ATOM 549 NZ LYS A 38 3.515 40.166 37.445 1.00 0.00 N ATOM 550 OXT LYS A 38 2.587 32.738 36.776 1.00 0.00 O ATOM 0 H LYS A 38 4.755 34.471 37.022 1.00 0.00 H new ATOM 0 HA LYS A 38 2.803 35.081 39.076 1.00 0.00 H new ATOM 0 HB2 LYS A 38 2.609 35.430 36.043 1.00 0.00 H new ATOM 0 HB3 LYS A 38 1.388 35.936 37.193 1.00 0.00 H new ATOM 0 HG2 LYS A 38 3.132 37.480 38.232 1.00 0.00 H new ATOM 0 HG3 LYS A 38 4.196 37.071 36.901 1.00 0.00 H new ATOM 0 HD2 LYS A 38 2.265 37.784 35.332 1.00 0.00 H new ATOM 0 HD3 LYS A 38 1.491 38.457 36.753 1.00 0.00 H new ATOM 0 HE2 LYS A 38 4.206 39.290 35.644 1.00 0.00 H new ATOM 0 HE3 LYS A 38 2.711 40.191 35.485 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 4.028 41.057 37.291 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 2.610 40.365 37.917 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 4.087 39.536 38.043 1.00 0.00 H new TER 564 LYS A 38