USER MOD reduce.3.24.130724 H: found=0, std=0, add=334, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 337 hydrogens (44 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 139 SER OG : rot -31:sc= 0.716 USER MOD Single : A 140 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 150 TYR OH : rot -171:sc= 1.23 USER MOD Single : A 159 ASN :FLIP amide:sc= -0.362 F(o=-1.9!,f=-0.36) USER MOD Single : A 160 SER OG : rot 180:sc= 0 USER MOD Single : A 163 TYR OH : rot 180:sc= 0 USER MOD Single : A 164 LYS NZ :NH3+ -162:sc= -0.0393 (180deg=-0.411) USER MOD Single : A 168 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 170 LYS NZ :NH3+ 164:sc= -0.0458 (180deg=-0.389) USER MOD Single : A 174 SER OG : rot -18:sc= 0.925 USER MOD Single : A 501 C2E O2' : rot -16:sc= 0.366 USER MOD Single : A 501 C2E O2A : rot -13:sc= 0.329 USER MOD Single : A 502 C2E O2' : rot -26:sc= 0.292 USER MOD Single : A 502 C2E O2A : rot -15:sc= 0.334 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 139 12.604 9.343 2.605 1.00 0.00 N ATOM 2 CA SER A 139 12.078 7.975 2.894 1.00 0.00 C ATOM 3 C SER A 139 10.926 7.655 1.936 1.00 0.00 C ATOM 4 O SER A 139 10.297 6.598 2.046 1.00 0.00 O ATOM 5 CB SER A 139 11.597 7.916 4.355 1.00 0.00 C ATOM 6 OG SER A 139 11.102 6.613 4.637 1.00 0.00 O ATOM 0 HA SER A 139 12.866 7.236 2.750 1.00 0.00 H new ATOM 0 HB2 SER A 139 12.418 8.159 5.030 1.00 0.00 H new ATOM 0 HB3 SER A 139 10.816 8.658 4.523 1.00 0.00 H new ATOM 0 HG SER A 139 10.714 6.227 3.824 1.00 0.00 H new ATOM 14 N LYS A 140 10.660 8.580 1.000 1.00 0.00 N ATOM 15 CA LYS A 140 9.585 8.421 0.007 1.00 0.00 C ATOM 16 C LYS A 140 10.044 7.575 -1.213 1.00 0.00 C ATOM 17 O LYS A 140 9.221 6.843 -1.770 1.00 0.00 O ATOM 18 CB LYS A 140 9.088 9.823 -0.468 1.00 0.00 C ATOM 19 CG LYS A 140 8.520 10.654 0.733 1.00 0.00 C ATOM 20 CD LYS A 140 8.096 12.089 0.271 1.00 0.00 C ATOM 21 CE LYS A 140 7.490 12.900 1.447 1.00 0.00 C ATOM 22 NZ LYS A 140 7.140 14.268 0.969 1.00 0.00 N ATOM 0 H LYS A 140 11.180 9.453 0.910 1.00 0.00 H new ATOM 0 HA LYS A 140 8.766 7.886 0.487 1.00 0.00 H new ATOM 0 HB2 LYS A 140 9.911 10.366 -0.934 1.00 0.00 H new ATOM 0 HB3 LYS A 140 8.316 9.701 -1.228 1.00 0.00 H new ATOM 0 HG2 LYS A 140 7.662 10.138 1.163 1.00 0.00 H new ATOM 0 HG3 LYS A 140 9.273 10.728 1.517 1.00 0.00 H new ATOM 0 HD2 LYS A 140 8.962 12.616 -0.130 1.00 0.00 H new ATOM 0 HD3 LYS A 140 7.367 12.014 -0.536 1.00 0.00 H new ATOM 0 HE2 LYS A 140 6.602 12.398 1.832 1.00 0.00 H new ATOM 0 HE3 LYS A 140 8.203 12.960 2.269 1.00 0.00 H new ATOM 0 HZ1 LYS A 140 6.733 14.816 1.753 1.00 0.00 H new ATOM 0 HZ2 LYS A 140 7.997 14.744 0.622 1.00 0.00 H new ATOM 0 HZ3 LYS A 140 6.445 14.199 0.198 1.00 0.00 H new ATOM 36 N PRO A 141 11.312 7.656 -1.664 1.00 0.00 N ATOM 37 CA PRO A 141 11.794 6.872 -2.851 1.00 0.00 C ATOM 38 C PRO A 141 12.414 5.525 -2.444 1.00 0.00 C ATOM 39 O PRO A 141 12.484 5.195 -1.259 1.00 0.00 O ATOM 40 CB PRO A 141 12.845 7.830 -3.445 1.00 0.00 C ATOM 41 CG PRO A 141 13.513 8.438 -2.238 1.00 0.00 C ATOM 42 CD PRO A 141 12.436 8.478 -1.121 1.00 0.00 C ATOM 0 HA PRO A 141 11.001 6.594 -3.546 1.00 0.00 H new ATOM 0 HB2 PRO A 141 13.561 7.297 -4.071 1.00 0.00 H new ATOM 0 HB3 PRO A 141 12.381 8.593 -4.070 1.00 0.00 H new ATOM 0 HG2 PRO A 141 14.373 7.844 -1.928 1.00 0.00 H new ATOM 0 HG3 PRO A 141 13.881 9.440 -2.460 1.00 0.00 H new ATOM 0 HD2 PRO A 141 12.816 8.065 -0.187 1.00 0.00 H new ATOM 0 HD3 PRO A 141 12.117 9.499 -0.912 1.00 0.00 H new ATOM 50 N ARG A 142 12.860 4.765 -3.456 1.00 0.00 N ATOM 51 CA ARG A 142 13.490 3.444 -3.249 1.00 0.00 C ATOM 52 C ARG A 142 14.842 3.601 -2.495 1.00 0.00 C ATOM 53 O ARG A 142 14.878 4.291 -1.475 1.00 0.00 O ATOM 54 CB ARG A 142 13.622 2.697 -4.619 1.00 0.00 C ATOM 55 CG ARG A 142 14.334 3.575 -5.702 1.00 0.00 C ATOM 56 CD ARG A 142 14.362 2.853 -7.079 1.00 0.00 C ATOM 57 NE ARG A 142 15.060 3.687 -8.072 1.00 0.00 N ATOM 58 CZ ARG A 142 15.124 3.355 -9.372 1.00 0.00 C ATOM 59 NH1 ARG A 142 14.547 2.265 -9.809 1.00 0.00 N ATOM 60 NH2 ARG A 142 15.766 4.127 -10.206 1.00 0.00 N ATOM 0 H ARG A 142 12.797 5.043 -4.435 1.00 0.00 H new ATOM 0 HA ARG A 142 12.858 2.824 -2.613 1.00 0.00 H new ATOM 0 HB2 ARG A 142 14.183 1.774 -4.475 1.00 0.00 H new ATOM 0 HB3 ARG A 142 12.631 2.416 -4.975 1.00 0.00 H new ATOM 0 HG2 ARG A 142 13.816 4.529 -5.799 1.00 0.00 H new ATOM 0 HG3 ARG A 142 15.353 3.796 -5.383 1.00 0.00 H new ATOM 0 HD2 ARG A 142 14.864 1.890 -6.984 1.00 0.00 H new ATOM 0 HD3 ARG A 142 13.344 2.650 -7.413 1.00 0.00 H new ATOM 0 HE ARG A 142 15.511 4.548 -7.761 1.00 0.00 H new ATOM 0 HH11 ARG A 142 14.043 1.660 -9.161 1.00 0.00 H new ATOM 0 HH12 ARG A 142 14.601 2.021 -10.798 1.00 0.00 H new ATOM 0 HH21 ARG A 142 16.216 4.978 -9.870 1.00 0.00 H new ATOM 0 HH22 ARG A 142 15.817 3.879 -11.194 1.00 0.00 H new ATOM 74 N GLU A 143 15.939 2.960 -2.966 1.00 0.00 N ATOM 75 CA GLU A 143 17.264 3.046 -2.289 1.00 0.00 C ATOM 76 C GLU A 143 17.129 2.690 -0.786 1.00 0.00 C ATOM 77 O GLU A 143 17.292 3.566 0.069 1.00 0.00 O ATOM 78 CB GLU A 143 17.862 4.491 -2.439 1.00 0.00 C ATOM 79 CG GLU A 143 18.177 4.825 -3.930 1.00 0.00 C ATOM 80 CD GLU A 143 18.793 6.228 -4.051 1.00 0.00 C ATOM 81 OE1 GLU A 143 20.011 6.322 -4.097 1.00 0.00 O ATOM 82 OE2 GLU A 143 18.038 7.187 -4.091 1.00 0.00 O ATOM 0 H GLU A 143 15.937 2.381 -3.806 1.00 0.00 H new ATOM 0 HA GLU A 143 17.937 2.331 -2.763 1.00 0.00 H new ATOM 0 HB2 GLU A 143 17.157 5.221 -2.042 1.00 0.00 H new ATOM 0 HB3 GLU A 143 18.773 4.573 -1.846 1.00 0.00 H new ATOM 0 HG2 GLU A 143 18.865 4.084 -4.337 1.00 0.00 H new ATOM 0 HG3 GLU A 143 17.263 4.771 -4.521 1.00 0.00 H new ATOM 89 N TRP A 144 16.781 1.426 -0.476 1.00 0.00 N ATOM 90 CA TRP A 144 16.569 0.996 0.930 1.00 0.00 C ATOM 91 C TRP A 144 17.403 -0.240 1.326 1.00 0.00 C ATOM 92 O TRP A 144 17.245 -1.310 0.733 1.00 0.00 O ATOM 93 CB TRP A 144 15.064 0.696 1.133 1.00 0.00 C ATOM 94 CG TRP A 144 14.717 0.675 2.603 1.00 0.00 C ATOM 95 CD1 TRP A 144 14.729 -0.422 3.400 1.00 0.00 C ATOM 96 CD2 TRP A 144 14.316 1.790 3.454 1.00 0.00 C ATOM 97 NE1 TRP A 144 14.344 -0.051 4.676 1.00 0.00 N ATOM 98 CE2 TRP A 144 14.076 1.299 4.757 1.00 0.00 C ATOM 99 CE3 TRP A 144 14.132 3.162 3.215 1.00 0.00 C ATOM 100 CZ2 TRP A 144 13.663 2.137 5.792 1.00 0.00 C ATOM 101 CZ3 TRP A 144 13.717 4.017 4.257 1.00 0.00 C ATOM 102 CH2 TRP A 144 13.479 3.502 5.543 1.00 0.00 C ATOM 0 H TRP A 144 16.641 0.689 -1.167 1.00 0.00 H new ATOM 0 HA TRP A 144 16.902 1.810 1.574 1.00 0.00 H new ATOM 0 HB2 TRP A 144 14.466 1.452 0.624 1.00 0.00 H new ATOM 0 HB3 TRP A 144 14.816 -0.265 0.682 1.00 0.00 H new ATOM 0 HD1 TRP A 144 14.995 -1.422 3.090 1.00 0.00 H new ATOM 0 HE1 TRP A 144 14.268 -0.698 5.461 1.00 0.00 H new ATOM 0 HE3 TRP A 144 14.309 3.564 2.228 1.00 0.00 H new ATOM 0 HZ2 TRP A 144 13.486 1.736 6.779 1.00 0.00 H new ATOM 0 HZ3 TRP A 144 13.582 5.071 4.066 1.00 0.00 H new ATOM 0 HH2 TRP A 144 13.155 4.158 6.337 1.00 0.00 H new ATOM 113 N VAL A 145 18.250 -0.077 2.367 1.00 0.00 N ATOM 114 CA VAL A 145 19.078 -1.174 2.908 1.00 0.00 C ATOM 115 C VAL A 145 18.587 -1.480 4.336 1.00 0.00 C ATOM 116 O VAL A 145 18.417 -0.550 5.135 1.00 0.00 O ATOM 117 CB VAL A 145 20.596 -0.766 2.886 1.00 0.00 C ATOM 118 CG1 VAL A 145 20.853 0.548 3.689 1.00 0.00 C ATOM 119 CG2 VAL A 145 21.497 -1.924 3.442 1.00 0.00 C ATOM 0 H VAL A 145 18.377 0.812 2.851 1.00 0.00 H new ATOM 0 HA VAL A 145 18.982 -2.072 2.297 1.00 0.00 H new ATOM 0 HB VAL A 145 20.863 -0.582 1.845 1.00 0.00 H new ATOM 0 HG11 VAL A 145 21.914 0.797 3.650 1.00 0.00 H new ATOM 0 HG12 VAL A 145 20.273 1.361 3.252 1.00 0.00 H new ATOM 0 HG13 VAL A 145 20.552 0.405 4.727 1.00 0.00 H new ATOM 0 HG21 VAL A 145 22.542 -1.616 3.416 1.00 0.00 H new ATOM 0 HG22 VAL A 145 21.210 -2.147 4.470 1.00 0.00 H new ATOM 0 HG23 VAL A 145 21.366 -2.814 2.827 1.00 0.00 H new ATOM 129 N GLU A 146 18.328 -2.765 4.648 1.00 0.00 N ATOM 130 CA GLU A 146 17.829 -3.162 5.983 1.00 0.00 C ATOM 131 C GLU A 146 18.849 -4.066 6.702 1.00 0.00 C ATOM 132 O GLU A 146 19.031 -5.225 6.322 1.00 0.00 O ATOM 133 CB GLU A 146 16.460 -3.898 5.825 1.00 0.00 C ATOM 134 CG GLU A 146 15.782 -4.172 7.208 1.00 0.00 C ATOM 135 CD GLU A 146 14.430 -4.877 7.017 1.00 0.00 C ATOM 136 OE1 GLU A 146 13.592 -4.325 6.323 1.00 0.00 O ATOM 137 OE2 GLU A 146 14.254 -5.954 7.569 1.00 0.00 O ATOM 0 H GLU A 146 18.454 -3.542 4.000 1.00 0.00 H new ATOM 0 HA GLU A 146 17.690 -2.268 6.591 1.00 0.00 H new ATOM 0 HB2 GLU A 146 15.794 -3.296 5.207 1.00 0.00 H new ATOM 0 HB3 GLU A 146 16.614 -4.842 5.303 1.00 0.00 H new ATOM 0 HG2 GLU A 146 16.436 -4.789 7.824 1.00 0.00 H new ATOM 0 HG3 GLU A 146 15.636 -3.232 7.740 1.00 0.00 H new ATOM 144 N ALA A 147 19.485 -3.517 7.754 1.00 0.00 N ATOM 145 CA ALA A 147 20.472 -4.245 8.574 1.00 0.00 C ATOM 146 C ALA A 147 20.014 -4.194 10.040 1.00 0.00 C ATOM 147 O ALA A 147 19.279 -3.284 10.427 1.00 0.00 O ATOM 148 CB ALA A 147 21.863 -3.602 8.400 1.00 0.00 C ATOM 0 H ALA A 147 19.329 -2.556 8.059 1.00 0.00 H new ATOM 0 HA ALA A 147 20.544 -5.286 8.259 1.00 0.00 H new ATOM 0 HB1 ALA A 147 22.591 -4.141 9.006 1.00 0.00 H new ATOM 0 HB2 ALA A 147 22.157 -3.650 7.352 1.00 0.00 H new ATOM 0 HB3 ALA A 147 21.825 -2.560 8.719 1.00 0.00 H new ATOM 154 N VAL A 148 20.407 -5.194 10.842 1.00 0.00 N ATOM 155 CA VAL A 148 19.970 -5.299 12.247 1.00 0.00 C ATOM 156 C VAL A 148 20.283 -4.048 13.088 1.00 0.00 C ATOM 157 O VAL A 148 19.456 -3.645 13.914 1.00 0.00 O ATOM 158 CB VAL A 148 20.641 -6.565 12.894 1.00 0.00 C ATOM 159 CG1 VAL A 148 20.198 -7.860 12.137 1.00 0.00 C ATOM 160 CG2 VAL A 148 22.208 -6.448 12.858 1.00 0.00 C ATOM 0 H VAL A 148 21.029 -5.945 10.543 1.00 0.00 H new ATOM 0 HA VAL A 148 18.884 -5.391 12.241 1.00 0.00 H new ATOM 0 HB VAL A 148 20.316 -6.624 13.933 1.00 0.00 H new ATOM 0 HG11 VAL A 148 20.670 -8.729 12.595 1.00 0.00 H new ATOM 0 HG12 VAL A 148 19.114 -7.963 12.195 1.00 0.00 H new ATOM 0 HG13 VAL A 148 20.500 -7.792 11.092 1.00 0.00 H new ATOM 0 HG21 VAL A 148 22.650 -7.336 13.311 1.00 0.00 H new ATOM 0 HG22 VAL A 148 22.543 -6.364 11.824 1.00 0.00 H new ATOM 0 HG23 VAL A 148 22.520 -5.564 13.414 1.00 0.00 H new ATOM 170 N ALA A 149 21.463 -3.448 12.896 1.00 0.00 N ATOM 171 CA ALA A 149 21.845 -2.259 13.680 1.00 0.00 C ATOM 172 C ALA A 149 21.523 -0.958 12.925 1.00 0.00 C ATOM 173 O ALA A 149 21.311 0.085 13.549 1.00 0.00 O ATOM 174 CB ALA A 149 23.367 -2.325 13.959 1.00 0.00 C ATOM 0 H ALA A 149 22.161 -3.756 12.219 1.00 0.00 H new ATOM 0 HA ALA A 149 21.277 -2.255 14.610 1.00 0.00 H new ATOM 0 HB1 ALA A 149 23.669 -1.453 14.539 1.00 0.00 H new ATOM 0 HB2 ALA A 149 23.595 -3.231 14.521 1.00 0.00 H new ATOM 0 HB3 ALA A 149 23.910 -2.338 13.014 1.00 0.00 H new ATOM 180 N TYR A 150 21.483 -1.042 11.580 1.00 0.00 N ATOM 181 CA TYR A 150 21.177 0.121 10.718 1.00 0.00 C ATOM 182 C TYR A 150 19.902 -0.107 9.891 1.00 0.00 C ATOM 183 O TYR A 150 19.812 -1.095 9.161 1.00 0.00 O ATOM 184 CB TYR A 150 22.383 0.435 9.793 1.00 0.00 C ATOM 185 CG TYR A 150 22.117 1.734 9.001 1.00 0.00 C ATOM 186 CD1 TYR A 150 22.224 2.987 9.643 1.00 0.00 C ATOM 187 CD2 TYR A 150 21.746 1.685 7.637 1.00 0.00 C ATOM 188 CE1 TYR A 150 21.967 4.169 8.930 1.00 0.00 C ATOM 189 CE2 TYR A 150 21.494 2.873 6.935 1.00 0.00 C ATOM 190 CZ TYR A 150 21.604 4.110 7.581 1.00 0.00 C ATOM 191 OH TYR A 150 21.349 5.276 6.885 1.00 0.00 O ATOM 0 H TYR A 150 21.659 -1.905 11.065 1.00 0.00 H new ATOM 0 HA TYR A 150 20.996 0.979 11.365 1.00 0.00 H new ATOM 0 HB2 TYR A 150 23.290 0.541 10.388 1.00 0.00 H new ATOM 0 HB3 TYR A 150 22.549 -0.393 9.104 1.00 0.00 H new ATOM 0 HD1 TYR A 150 22.504 3.036 10.685 1.00 0.00 H new ATOM 0 HD2 TYR A 150 21.657 0.733 7.136 1.00 0.00 H new ATOM 0 HE1 TYR A 150 22.050 5.126 9.425 1.00 0.00 H new ATOM 0 HE2 TYR A 150 21.214 2.833 5.893 1.00 0.00 H new ATOM 0 HH TYR A 150 20.971 5.057 6.008 1.00 0.00 H new ATOM 201 N VAL A 151 18.951 0.834 9.970 1.00 0.00 N ATOM 202 CA VAL A 151 17.704 0.767 9.186 1.00 0.00 C ATOM 203 C VAL A 151 17.485 2.143 8.545 1.00 0.00 C ATOM 204 O VAL A 151 17.350 3.142 9.257 1.00 0.00 O ATOM 205 CB VAL A 151 16.495 0.386 10.114 1.00 0.00 C ATOM 206 CG1 VAL A 151 15.166 0.254 9.291 1.00 0.00 C ATOM 207 CG2 VAL A 151 16.790 -0.961 10.857 1.00 0.00 C ATOM 0 H VAL A 151 19.020 1.655 10.571 1.00 0.00 H new ATOM 0 HA VAL A 151 17.777 0.000 8.415 1.00 0.00 H new ATOM 0 HB VAL A 151 16.369 1.185 10.844 1.00 0.00 H new ATOM 0 HG11 VAL A 151 14.348 -0.010 9.961 1.00 0.00 H new ATOM 0 HG12 VAL A 151 14.944 1.203 8.804 1.00 0.00 H new ATOM 0 HG13 VAL A 151 15.282 -0.523 8.535 1.00 0.00 H new ATOM 0 HG21 VAL A 151 15.946 -1.216 11.498 1.00 0.00 H new ATOM 0 HG22 VAL A 151 16.943 -1.754 10.125 1.00 0.00 H new ATOM 0 HG23 VAL A 151 17.687 -0.852 11.466 1.00 0.00 H new ATOM 217 N GLY A 152 17.451 2.185 7.200 1.00 0.00 N ATOM 218 CA GLY A 152 17.250 3.440 6.460 1.00 0.00 C ATOM 219 C GLY A 152 18.040 3.441 5.142 1.00 0.00 C ATOM 220 O GLY A 152 18.694 2.447 4.821 1.00 0.00 O ATOM 0 H GLY A 152 17.560 1.363 6.606 1.00 0.00 H new ATOM 0 HA2 GLY A 152 16.189 3.576 6.251 1.00 0.00 H new ATOM 0 HA3 GLY A 152 17.564 4.283 7.076 1.00 0.00 H new ATOM 224 N PRO A 153 18.003 4.537 4.368 1.00 0.00 N ATOM 225 CA PRO A 153 18.757 4.636 3.066 1.00 0.00 C ATOM 226 C PRO A 153 20.278 4.470 3.240 1.00 0.00 C ATOM 227 O PRO A 153 20.833 4.752 4.302 1.00 0.00 O ATOM 228 CB PRO A 153 18.422 6.053 2.530 1.00 0.00 C ATOM 229 CG PRO A 153 17.169 6.461 3.249 1.00 0.00 C ATOM 230 CD PRO A 153 17.235 5.780 4.626 1.00 0.00 C ATOM 0 HA PRO A 153 18.464 3.837 2.385 1.00 0.00 H new ATOM 0 HB2 PRO A 153 19.235 6.751 2.729 1.00 0.00 H new ATOM 0 HB3 PRO A 153 18.270 6.040 1.451 1.00 0.00 H new ATOM 0 HG2 PRO A 153 17.112 7.545 3.351 1.00 0.00 H new ATOM 0 HG3 PRO A 153 16.282 6.146 2.699 1.00 0.00 H new ATOM 0 HD2 PRO A 153 17.732 6.412 5.362 1.00 0.00 H new ATOM 0 HD3 PRO A 153 16.240 5.562 5.013 1.00 0.00 H new ATOM 238 N ASP A 154 20.923 4.018 2.164 1.00 0.00 N ATOM 239 CA ASP A 154 22.377 3.792 2.109 1.00 0.00 C ATOM 240 C ASP A 154 23.174 5.101 2.259 1.00 0.00 C ATOM 241 O ASP A 154 22.942 6.064 1.527 1.00 0.00 O ATOM 242 CB ASP A 154 22.691 3.138 0.739 1.00 0.00 C ATOM 243 CG ASP A 154 24.161 2.755 0.581 1.00 0.00 C ATOM 244 OD1 ASP A 154 24.478 2.124 -0.415 1.00 0.00 O ATOM 245 OD2 ASP A 154 24.942 3.083 1.449 1.00 0.00 O ATOM 0 H ASP A 154 20.447 3.794 1.290 1.00 0.00 H new ATOM 0 HA ASP A 154 22.673 3.148 2.938 1.00 0.00 H new ATOM 0 HB2 ASP A 154 22.075 2.247 0.619 1.00 0.00 H new ATOM 0 HB3 ASP A 154 22.414 3.828 -0.058 1.00 0.00 H new ATOM 250 N ARG A 155 24.111 5.109 3.215 1.00 0.00 N ATOM 251 CA ARG A 155 24.967 6.284 3.483 1.00 0.00 C ATOM 252 C ARG A 155 26.067 6.423 2.408 1.00 0.00 C ATOM 253 O ARG A 155 26.868 7.359 2.456 1.00 0.00 O ATOM 254 CB ARG A 155 25.614 6.149 4.898 1.00 0.00 C ATOM 255 CG ARG A 155 24.540 6.272 6.028 1.00 0.00 C ATOM 256 CD ARG A 155 25.159 6.014 7.435 1.00 0.00 C ATOM 257 NE ARG A 155 25.377 4.570 7.667 1.00 0.00 N ATOM 258 CZ ARG A 155 25.820 4.096 8.844 1.00 0.00 C ATOM 259 NH1 ARG A 155 26.168 4.910 9.807 1.00 0.00 N ATOM 260 NH2 ARG A 155 25.912 2.813 9.024 1.00 0.00 N ATOM 0 H ARG A 155 24.301 4.312 3.823 1.00 0.00 H new ATOM 0 HA ARG A 155 24.347 7.180 3.451 1.00 0.00 H new ATOM 0 HB2 ARG A 155 26.121 5.187 4.978 1.00 0.00 H new ATOM 0 HB3 ARG A 155 26.372 6.921 5.029 1.00 0.00 H new ATOM 0 HG2 ARG A 155 24.095 7.267 6.002 1.00 0.00 H new ATOM 0 HG3 ARG A 155 23.736 5.559 5.847 1.00 0.00 H new ATOM 0 HD2 ARG A 155 26.106 6.546 7.521 1.00 0.00 H new ATOM 0 HD3 ARG A 155 24.498 6.413 8.205 1.00 0.00 H new ATOM 0 HE ARG A 155 25.185 3.913 6.910 1.00 0.00 H new ATOM 0 HH11 ARG A 155 26.105 5.919 9.670 1.00 0.00 H new ATOM 0 HH12 ARG A 155 26.502 4.536 10.695 1.00 0.00 H new ATOM 0 HH21 ARG A 155 25.649 2.173 8.275 1.00 0.00 H new ATOM 0 HH22 ARG A 155 26.247 2.446 9.915 1.00 0.00 H new ATOM 274 N ARG A 156 26.093 5.478 1.452 1.00 0.00 N ATOM 275 CA ARG A 156 27.091 5.465 0.353 1.00 0.00 C ATOM 276 C ARG A 156 26.533 6.142 -0.911 1.00 0.00 C ATOM 277 O ARG A 156 25.422 5.841 -1.352 1.00 0.00 O ATOM 278 CB ARG A 156 27.480 3.995 0.011 1.00 0.00 C ATOM 279 CG ARG A 156 28.065 3.275 1.271 1.00 0.00 C ATOM 280 CD ARG A 156 28.365 1.780 0.991 1.00 0.00 C ATOM 281 NE ARG A 156 28.630 1.091 2.264 1.00 0.00 N ATOM 282 CZ ARG A 156 28.819 -0.232 2.346 1.00 0.00 C ATOM 283 NH1 ARG A 156 28.883 -0.969 1.267 1.00 0.00 N ATOM 284 NH2 ARG A 156 28.944 -0.781 3.519 1.00 0.00 N ATOM 0 H ARG A 156 25.430 4.704 1.414 1.00 0.00 H new ATOM 0 HA ARG A 156 27.969 6.017 0.689 1.00 0.00 H new ATOM 0 HB2 ARG A 156 26.604 3.455 -0.349 1.00 0.00 H new ATOM 0 HB3 ARG A 156 28.214 3.985 -0.794 1.00 0.00 H new ATOM 0 HG2 ARG A 156 28.980 3.777 1.585 1.00 0.00 H new ATOM 0 HG3 ARG A 156 27.358 3.356 2.097 1.00 0.00 H new ATOM 0 HD2 ARG A 156 27.520 1.317 0.482 1.00 0.00 H new ATOM 0 HD3 ARG A 156 29.225 1.688 0.328 1.00 0.00 H new ATOM 0 HE ARG A 156 28.671 1.644 3.120 1.00 0.00 H new ATOM 0 HH11 ARG A 156 28.789 -0.537 0.348 1.00 0.00 H new ATOM 0 HH12 ARG A 156 29.027 -1.976 1.345 1.00 0.00 H new ATOM 0 HH21 ARG A 156 28.897 -0.205 4.359 1.00 0.00 H new ATOM 0 HH22 ARG A 156 29.088 -1.788 3.598 1.00 0.00 H new ATOM 298 N ARG A 157 27.342 7.035 -1.489 1.00 0.00 N ATOM 299 CA ARG A 157 27.004 7.765 -2.721 1.00 0.00 C ATOM 300 C ARG A 157 28.304 8.205 -3.406 1.00 0.00 C ATOM 301 O ARG A 157 28.287 8.657 -4.554 1.00 0.00 O ATOM 302 CB ARG A 157 26.096 8.994 -2.407 1.00 0.00 C ATOM 303 CG ARG A 157 26.719 9.894 -1.285 1.00 0.00 C ATOM 304 CD ARG A 157 25.796 11.103 -0.966 1.00 0.00 C ATOM 305 NE ARG A 157 24.492 10.626 -0.477 1.00 0.00 N ATOM 306 CZ ARG A 157 23.555 11.457 0.004 1.00 0.00 C ATOM 307 NH1 ARG A 157 23.773 12.746 0.062 1.00 0.00 N ATOM 308 NH2 ARG A 157 22.417 10.975 0.420 1.00 0.00 N ATOM 0 H ARG A 157 28.259 7.276 -1.114 1.00 0.00 H new ATOM 0 HA ARG A 157 26.444 7.111 -3.390 1.00 0.00 H new ATOM 0 HB2 ARG A 157 25.954 9.584 -3.312 1.00 0.00 H new ATOM 0 HB3 ARG A 157 25.110 8.650 -2.094 1.00 0.00 H new ATOM 0 HG2 ARG A 157 26.874 9.302 -0.383 1.00 0.00 H new ATOM 0 HG3 ARG A 157 27.698 10.253 -1.603 1.00 0.00 H new ATOM 0 HD2 ARG A 157 26.264 11.740 -0.216 1.00 0.00 H new ATOM 0 HD3 ARG A 157 25.658 11.711 -1.860 1.00 0.00 H new ATOM 0 HE ARG A 157 24.293 9.626 -0.505 1.00 0.00 H new ATOM 0 HH11 ARG A 157 24.662 13.128 -0.260 1.00 0.00 H new ATOM 0 HH12 ARG A 157 23.054 13.369 0.429 1.00 0.00 H new ATOM 0 HH21 ARG A 157 22.243 9.971 0.379 1.00 0.00 H new ATOM 0 HH22 ARG A 157 21.701 11.602 0.787 1.00 0.00 H new ATOM 322 N PHE A 158 29.429 8.018 -2.694 1.00 0.00 N ATOM 323 CA PHE A 158 30.778 8.329 -3.192 1.00 0.00 C ATOM 324 C PHE A 158 31.558 7.014 -3.316 1.00 0.00 C ATOM 325 O PHE A 158 31.337 6.107 -2.508 1.00 0.00 O ATOM 326 CB PHE A 158 31.492 9.285 -2.193 1.00 0.00 C ATOM 327 CG PHE A 158 32.505 10.187 -2.925 1.00 0.00 C ATOM 328 CD1 PHE A 158 32.046 11.281 -3.693 1.00 0.00 C ATOM 329 CD2 PHE A 158 33.895 9.936 -2.840 1.00 0.00 C ATOM 330 CE1 PHE A 158 32.962 12.108 -4.363 1.00 0.00 C ATOM 331 CE2 PHE A 158 34.804 10.769 -3.513 1.00 0.00 C ATOM 332 CZ PHE A 158 34.338 11.852 -4.273 1.00 0.00 C ATOM 0 H PHE A 158 29.426 7.642 -1.746 1.00 0.00 H new ATOM 0 HA PHE A 158 30.724 8.820 -4.164 1.00 0.00 H new ATOM 0 HB2 PHE A 158 30.753 9.902 -1.682 1.00 0.00 H new ATOM 0 HB3 PHE A 158 32.004 8.702 -1.428 1.00 0.00 H new ATOM 0 HD1 PHE A 158 30.987 11.482 -3.765 1.00 0.00 H new ATOM 0 HD2 PHE A 158 34.258 9.103 -2.257 1.00 0.00 H new ATOM 0 HE1 PHE A 158 32.606 12.943 -4.949 1.00 0.00 H new ATOM 0 HE2 PHE A 158 35.864 10.575 -3.445 1.00 0.00 H new ATOM 0 HZ PHE A 158 35.040 12.490 -4.790 1.00 0.00 H new ATOM 342 N ASN A 159 32.482 6.907 -4.289 1.00 0.00 N ATOM 343 CA ASN A 159 33.293 5.692 -4.445 1.00 0.00 C ATOM 344 C ASN A 159 34.642 6.108 -5.050 1.00 0.00 C ATOM 345 O ASN A 159 34.678 6.638 -6.163 1.00 0.00 O ATOM 346 CB ASN A 159 32.541 4.674 -5.338 1.00 0.00 C ATOM 347 CG ASN A 159 33.341 3.379 -5.491 1.00 0.00 C ATOM 348 OD1 ASN A 159 34.502 3.420 -6.076 1.00 0.00 O flip ATOM 349 ND2 ASN A 159 32.898 2.308 -5.069 1.00 0.00 N flip ATOM 0 H ASN A 159 32.682 7.640 -4.970 1.00 0.00 H new ATOM 0 HA ASN A 159 33.470 5.203 -3.487 1.00 0.00 H new ATOM 0 HB2 ASN A 159 31.566 4.454 -4.902 1.00 0.00 H new ATOM 0 HB3 ASN A 159 32.360 5.111 -6.320 1.00 0.00 H new ATOM 0 HD21 ASN A 159 31.987 2.278 -4.611 1.00 0.00 H new ATOM 0 HD22 ASN A 159 33.442 1.452 -5.178 1.00 0.00 H new ATOM 356 N SER A 160 35.740 5.868 -4.311 1.00 0.00 N ATOM 357 CA SER A 160 37.098 6.219 -4.762 1.00 0.00 C ATOM 358 C SER A 160 37.875 4.941 -5.119 1.00 0.00 C ATOM 359 O SER A 160 38.202 4.181 -4.204 1.00 0.00 O ATOM 360 CB SER A 160 37.805 6.951 -3.597 1.00 0.00 C ATOM 361 OG SER A 160 39.108 7.349 -4.009 1.00 0.00 O ATOM 0 H SER A 160 35.712 5.428 -3.391 1.00 0.00 H new ATOM 0 HA SER A 160 37.055 6.856 -5.646 1.00 0.00 H new ATOM 0 HB2 SER A 160 37.225 7.823 -3.296 1.00 0.00 H new ATOM 0 HB3 SER A 160 37.871 6.296 -2.728 1.00 0.00 H new ATOM 0 HG SER A 160 39.556 7.814 -3.272 1.00 0.00 H new ATOM 367 N ALA A 161 38.186 4.655 -6.400 1.00 0.00 N ATOM 368 CA ALA A 161 38.936 3.427 -6.748 1.00 0.00 C ATOM 369 C ALA A 161 40.424 3.569 -6.374 1.00 0.00 C ATOM 370 O ALA A 161 41.177 2.593 -6.382 1.00 0.00 O ATOM 371 CB ALA A 161 38.785 3.148 -8.262 1.00 0.00 C ATOM 0 H ALA A 161 37.937 5.242 -7.196 1.00 0.00 H new ATOM 0 HA ALA A 161 38.528 2.590 -6.182 1.00 0.00 H new ATOM 0 HB1 ALA A 161 39.336 2.244 -8.522 1.00 0.00 H new ATOM 0 HB2 ALA A 161 37.731 3.012 -8.504 1.00 0.00 H new ATOM 0 HB3 ALA A 161 39.182 3.991 -8.829 1.00 0.00 H new ATOM 377 N ASP A 162 40.810 4.812 -6.053 1.00 0.00 N ATOM 378 CA ASP A 162 42.188 5.171 -5.667 1.00 0.00 C ATOM 379 C ASP A 162 42.246 5.432 -4.152 1.00 0.00 C ATOM 380 O ASP A 162 43.012 6.283 -3.686 1.00 0.00 O ATOM 381 CB ASP A 162 42.593 6.457 -6.445 1.00 0.00 C ATOM 382 CG ASP A 162 42.560 6.199 -7.960 1.00 0.00 C ATOM 383 OD1 ASP A 162 41.471 6.070 -8.495 1.00 0.00 O ATOM 384 OD2 ASP A 162 43.624 6.132 -8.560 1.00 0.00 O ATOM 0 H ASP A 162 40.170 5.606 -6.053 1.00 0.00 H new ATOM 0 HA ASP A 162 42.874 4.359 -5.908 1.00 0.00 H new ATOM 0 HB2 ASP A 162 41.913 7.271 -6.193 1.00 0.00 H new ATOM 0 HB3 ASP A 162 43.592 6.772 -6.145 1.00 0.00 H new ATOM 389 N TYR A 163 41.399 4.720 -3.387 1.00 0.00 N ATOM 390 CA TYR A 163 41.318 4.907 -1.930 1.00 0.00 C ATOM 391 C TYR A 163 42.551 4.330 -1.213 1.00 0.00 C ATOM 392 O TYR A 163 42.751 3.112 -1.213 1.00 0.00 O ATOM 393 CB TYR A 163 40.030 4.216 -1.412 1.00 0.00 C ATOM 394 CG TYR A 163 39.870 4.401 0.105 1.00 0.00 C ATOM 395 CD1 TYR A 163 40.068 3.317 0.988 1.00 0.00 C ATOM 396 CD2 TYR A 163 39.522 5.664 0.627 1.00 0.00 C ATOM 397 CE1 TYR A 163 39.918 3.500 2.368 1.00 0.00 C ATOM 398 CE2 TYR A 163 39.373 5.836 2.012 1.00 0.00 C ATOM 399 CZ TYR A 163 39.571 4.756 2.880 1.00 0.00 C ATOM 400 OH TYR A 163 39.424 4.929 4.241 1.00 0.00 O ATOM 0 H TYR A 163 40.763 4.012 -3.754 1.00 0.00 H new ATOM 0 HA TYR A 163 41.289 5.975 -1.715 1.00 0.00 H new ATOM 0 HB2 TYR A 163 39.161 4.629 -1.925 1.00 0.00 H new ATOM 0 HB3 TYR A 163 40.064 3.153 -1.649 1.00 0.00 H new ATOM 0 HD1 TYR A 163 40.335 2.346 0.599 1.00 0.00 H new ATOM 0 HD2 TYR A 163 39.370 6.500 -0.040 1.00 0.00 H new ATOM 0 HE1 TYR A 163 40.071 2.669 3.040 1.00 0.00 H new ATOM 0 HE2 TYR A 163 39.105 6.804 2.409 1.00 0.00 H new ATOM 0 HH TYR A 163 39.183 5.860 4.428 1.00 0.00 H new ATOM 410 N LYS A 164 43.343 5.211 -0.575 1.00 0.00 N ATOM 411 CA LYS A 164 44.532 4.796 0.188 1.00 0.00 C ATOM 412 C LYS A 164 44.173 4.786 1.686 1.00 0.00 C ATOM 413 O LYS A 164 44.147 5.830 2.342 1.00 0.00 O ATOM 414 CB LYS A 164 45.741 5.749 -0.102 1.00 0.00 C ATOM 415 CG LYS A 164 45.304 7.254 -0.183 1.00 0.00 C ATOM 416 CD LYS A 164 46.551 8.184 -0.377 1.00 0.00 C ATOM 417 CE LYS A 164 46.118 9.663 -0.574 1.00 0.00 C ATOM 418 NZ LYS A 164 45.299 9.784 -1.813 1.00 0.00 N ATOM 0 H LYS A 164 43.179 6.218 -0.574 1.00 0.00 H new ATOM 0 HA LYS A 164 44.837 3.795 -0.117 1.00 0.00 H new ATOM 0 HB2 LYS A 164 46.490 5.632 0.681 1.00 0.00 H new ATOM 0 HB3 LYS A 164 46.213 5.459 -1.041 1.00 0.00 H new ATOM 0 HG2 LYS A 164 44.609 7.392 -1.011 1.00 0.00 H new ATOM 0 HG3 LYS A 164 44.774 7.533 0.728 1.00 0.00 H new ATOM 0 HD2 LYS A 164 47.206 8.106 0.491 1.00 0.00 H new ATOM 0 HD3 LYS A 164 47.126 7.852 -1.241 1.00 0.00 H new ATOM 0 HE2 LYS A 164 45.544 10.002 0.288 1.00 0.00 H new ATOM 0 HE3 LYS A 164 46.997 10.304 -0.643 1.00 0.00 H new ATOM 0 HZ1 LYS A 164 45.266 10.780 -2.112 1.00 0.00 H new ATOM 0 HZ2 LYS A 164 45.725 9.210 -2.568 1.00 0.00 H new ATOM 0 HZ3 LYS A 164 44.333 9.447 -1.625 1.00 0.00 H new ATOM 432 N GLY A 165 43.872 3.586 2.210 1.00 0.00 N ATOM 433 CA GLY A 165 43.486 3.409 3.619 1.00 0.00 C ATOM 434 C GLY A 165 42.869 2.017 3.831 1.00 0.00 C ATOM 435 O GLY A 165 42.775 1.242 2.876 1.00 0.00 O ATOM 0 H GLY A 165 43.889 2.719 1.674 1.00 0.00 H new ATOM 0 HA2 GLY A 165 44.359 3.529 4.260 1.00 0.00 H new ATOM 0 HA3 GLY A 165 42.771 4.179 3.907 1.00 0.00 H new ATOM 439 N PRO A 166 42.449 1.670 5.052 1.00 0.00 N ATOM 440 CA PRO A 166 41.837 0.320 5.338 1.00 0.00 C ATOM 441 C PRO A 166 40.411 0.205 4.760 1.00 0.00 C ATOM 442 O PRO A 166 39.588 1.106 4.935 1.00 0.00 O ATOM 443 CB PRO A 166 41.857 0.239 6.881 1.00 0.00 C ATOM 444 CG PRO A 166 41.742 1.669 7.332 1.00 0.00 C ATOM 445 CD PRO A 166 42.506 2.506 6.285 1.00 0.00 C ATOM 0 HA PRO A 166 42.379 -0.503 4.872 1.00 0.00 H new ATOM 0 HB2 PRO A 166 41.031 -0.364 7.258 1.00 0.00 H new ATOM 0 HB3 PRO A 166 42.777 -0.219 7.243 1.00 0.00 H new ATOM 0 HG2 PRO A 166 40.698 1.977 7.392 1.00 0.00 H new ATOM 0 HG3 PRO A 166 42.171 1.801 8.326 1.00 0.00 H new ATOM 0 HD2 PRO A 166 42.038 3.478 6.131 1.00 0.00 H new ATOM 0 HD3 PRO A 166 43.534 2.693 6.595 1.00 0.00 H new ATOM 453 N ARG A 167 40.144 -0.925 4.083 1.00 0.00 N ATOM 454 CA ARG A 167 38.837 -1.221 3.455 1.00 0.00 C ATOM 455 C ARG A 167 38.022 -2.111 4.412 1.00 0.00 C ATOM 456 O ARG A 167 38.611 -2.984 5.054 1.00 0.00 O ATOM 457 CB ARG A 167 39.102 -1.940 2.097 1.00 0.00 C ATOM 458 CG ARG A 167 39.985 -1.033 1.166 1.00 0.00 C ATOM 459 CD ARG A 167 40.326 -1.738 -0.171 1.00 0.00 C ATOM 460 NE ARG A 167 41.245 -0.893 -0.955 1.00 0.00 N ATOM 461 CZ ARG A 167 41.785 -1.296 -2.117 1.00 0.00 C ATOM 462 NH1 ARG A 167 41.505 -2.475 -2.608 1.00 0.00 N ATOM 463 NH2 ARG A 167 42.599 -0.503 -2.762 1.00 0.00 N ATOM 0 H ARG A 167 40.832 -1.667 3.953 1.00 0.00 H new ATOM 0 HA ARG A 167 38.268 -0.311 3.265 1.00 0.00 H new ATOM 0 HB2 ARG A 167 39.604 -2.891 2.273 1.00 0.00 H new ATOM 0 HB3 ARG A 167 38.155 -2.165 1.606 1.00 0.00 H new ATOM 0 HG2 ARG A 167 39.458 -0.101 0.961 1.00 0.00 H new ATOM 0 HG3 ARG A 167 40.908 -0.770 1.684 1.00 0.00 H new ATOM 0 HD2 ARG A 167 40.784 -2.708 0.024 1.00 0.00 H new ATOM 0 HD3 ARG A 167 39.414 -1.925 -0.738 1.00 0.00 H new ATOM 0 HE ARG A 167 41.480 0.034 -0.601 1.00 0.00 H new ATOM 0 HH11 ARG A 167 40.871 -3.098 -2.108 1.00 0.00 H new ATOM 0 HH12 ARG A 167 41.920 -2.771 -3.491 1.00 0.00 H new ATOM 0 HH21 ARG A 167 42.822 0.417 -2.383 1.00 0.00 H new ATOM 0 HH22 ARG A 167 43.012 -0.804 -3.645 1.00 0.00 H new ATOM 477 N LYS A 168 36.684 -1.898 4.519 1.00 0.00 N ATOM 478 CA LYS A 168 35.840 -2.711 5.437 1.00 0.00 C ATOM 479 C LYS A 168 34.446 -3.012 4.833 1.00 0.00 C ATOM 480 O LYS A 168 33.544 -3.436 5.564 1.00 0.00 O ATOM 481 CB LYS A 168 35.640 -1.980 6.813 1.00 0.00 C ATOM 482 CG LYS A 168 36.990 -1.558 7.501 1.00 0.00 C ATOM 483 CD LYS A 168 37.449 -0.102 7.111 1.00 0.00 C ATOM 484 CE LYS A 168 36.604 1.001 7.813 1.00 0.00 C ATOM 485 NZ LYS A 168 37.205 2.334 7.522 1.00 0.00 N ATOM 0 H LYS A 168 36.175 -1.187 3.994 1.00 0.00 H new ATOM 0 HA LYS A 168 36.370 -3.652 5.587 1.00 0.00 H new ATOM 0 HB2 LYS A 168 35.027 -1.092 6.658 1.00 0.00 H new ATOM 0 HB3 LYS A 168 35.087 -2.635 7.487 1.00 0.00 H new ATOM 0 HG2 LYS A 168 36.875 -1.619 8.583 1.00 0.00 H new ATOM 0 HG3 LYS A 168 37.770 -2.266 7.223 1.00 0.00 H new ATOM 0 HD2 LYS A 168 38.499 0.027 7.375 1.00 0.00 H new ATOM 0 HD3 LYS A 168 37.375 0.021 6.031 1.00 0.00 H new ATOM 0 HE2 LYS A 168 35.574 0.968 7.459 1.00 0.00 H new ATOM 0 HE3 LYS A 168 36.578 0.827 8.889 1.00 0.00 H new ATOM 0 HZ1 LYS A 168 36.645 3.076 7.988 1.00 0.00 H new ATOM 0 HZ2 LYS A 168 38.181 2.360 7.880 1.00 0.00 H new ATOM 0 HZ3 LYS A 168 37.208 2.497 6.495 1.00 0.00 H new ATOM 499 N ARG A 169 34.270 -2.807 3.516 1.00 0.00 N ATOM 500 CA ARG A 169 32.970 -3.074 2.850 1.00 0.00 C ATOM 501 C ARG A 169 32.931 -4.481 2.236 1.00 0.00 C ATOM 502 O ARG A 169 33.875 -4.904 1.565 1.00 0.00 O ATOM 503 CB ARG A 169 32.722 -2.049 1.713 1.00 0.00 C ATOM 504 CG ARG A 169 32.528 -0.606 2.271 1.00 0.00 C ATOM 505 CD ARG A 169 32.309 0.403 1.112 1.00 0.00 C ATOM 506 NE ARG A 169 32.062 1.746 1.660 1.00 0.00 N ATOM 507 CZ ARG A 169 31.919 2.827 0.879 1.00 0.00 C ATOM 508 NH1 ARG A 169 31.997 2.727 -0.423 1.00 0.00 N ATOM 509 NH2 ARG A 169 31.700 3.986 1.427 1.00 0.00 N ATOM 0 H ARG A 169 34.999 -2.461 2.892 1.00 0.00 H new ATOM 0 HA ARG A 169 32.198 -2.990 3.615 1.00 0.00 H new ATOM 0 HB2 ARG A 169 33.564 -2.062 1.021 1.00 0.00 H new ATOM 0 HB3 ARG A 169 31.839 -2.342 1.145 1.00 0.00 H new ATOM 0 HG2 ARG A 169 31.673 -0.583 2.946 1.00 0.00 H new ATOM 0 HG3 ARG A 169 33.402 -0.315 2.854 1.00 0.00 H new ATOM 0 HD2 ARG A 169 33.184 0.421 0.463 1.00 0.00 H new ATOM 0 HD3 ARG A 169 31.464 0.089 0.499 1.00 0.00 H new ATOM 0 HE ARG A 169 31.997 1.859 2.672 1.00 0.00 H new ATOM 0 HH11 ARG A 169 32.168 1.819 -0.855 1.00 0.00 H new ATOM 0 HH12 ARG A 169 31.886 3.557 -1.006 1.00 0.00 H new ATOM 0 HH21 ARG A 169 31.638 4.067 2.442 1.00 0.00 H new ATOM 0 HH22 ARG A 169 31.590 4.814 0.842 1.00 0.00 H new ATOM 523 N LYS A 170 31.814 -5.186 2.462 1.00 0.00 N ATOM 524 CA LYS A 170 31.596 -6.541 1.931 1.00 0.00 C ATOM 525 C LYS A 170 31.669 -6.574 0.392 1.00 0.00 C ATOM 526 O LYS A 170 32.027 -7.596 -0.201 1.00 0.00 O ATOM 527 CB LYS A 170 30.189 -7.044 2.398 1.00 0.00 C ATOM 528 CG LYS A 170 29.028 -6.101 1.922 1.00 0.00 C ATOM 529 CD LYS A 170 27.648 -6.601 2.477 1.00 0.00 C ATOM 530 CE LYS A 170 26.487 -5.701 1.974 1.00 0.00 C ATOM 531 NZ LYS A 170 26.413 -5.766 0.487 1.00 0.00 N ATOM 0 H LYS A 170 31.035 -4.834 3.018 1.00 0.00 H new ATOM 0 HA LYS A 170 32.385 -7.190 2.312 1.00 0.00 H new ATOM 0 HB2 LYS A 170 30.019 -8.049 2.012 1.00 0.00 H new ATOM 0 HB3 LYS A 170 30.174 -7.114 3.486 1.00 0.00 H new ATOM 0 HG2 LYS A 170 29.216 -5.083 2.263 1.00 0.00 H new ATOM 0 HG3 LYS A 170 28.999 -6.072 0.833 1.00 0.00 H new ATOM 0 HD2 LYS A 170 27.477 -7.631 2.163 1.00 0.00 H new ATOM 0 HD3 LYS A 170 27.668 -6.600 3.567 1.00 0.00 H new ATOM 0 HE2 LYS A 170 25.544 -6.030 2.410 1.00 0.00 H new ATOM 0 HE3 LYS A 170 26.646 -4.672 2.296 1.00 0.00 H new ATOM 0 HZ1 LYS A 170 25.495 -5.396 0.169 1.00 0.00 H new ATOM 0 HZ2 LYS A 170 27.178 -5.194 0.076 1.00 0.00 H new ATOM 0 HZ3 LYS A 170 26.515 -6.754 0.177 1.00 0.00 H new ATOM 545 N ALA A 171 31.278 -5.451 -0.236 1.00 0.00 N ATOM 546 CA ALA A 171 31.238 -5.331 -1.707 1.00 0.00 C ATOM 547 C ALA A 171 32.632 -5.108 -2.307 1.00 0.00 C ATOM 548 O ALA A 171 32.779 -5.074 -3.532 1.00 0.00 O ATOM 549 CB ALA A 171 30.289 -4.175 -2.104 1.00 0.00 C ATOM 0 H ALA A 171 30.983 -4.607 0.255 1.00 0.00 H new ATOM 0 HA ALA A 171 30.864 -6.272 -2.111 1.00 0.00 H new ATOM 0 HB1 ALA A 171 30.259 -4.086 -3.190 1.00 0.00 H new ATOM 0 HB2 ALA A 171 29.287 -4.382 -1.729 1.00 0.00 H new ATOM 0 HB3 ALA A 171 30.652 -3.242 -1.673 1.00 0.00 H new ATOM 555 N ASP A 172 33.648 -4.991 -1.445 1.00 0.00 N ATOM 556 CA ASP A 172 35.048 -4.807 -1.872 1.00 0.00 C ATOM 557 C ASP A 172 35.703 -6.177 -2.098 1.00 0.00 C ATOM 558 O ASP A 172 36.895 -6.260 -2.403 1.00 0.00 O ATOM 559 CB ASP A 172 35.827 -3.991 -0.816 1.00 0.00 C ATOM 560 CG ASP A 172 37.167 -3.506 -1.386 1.00 0.00 C ATOM 561 OD1 ASP A 172 37.172 -2.482 -2.052 1.00 0.00 O ATOM 562 OD2 ASP A 172 38.166 -4.170 -1.154 1.00 0.00 O ATOM 0 H ASP A 172 33.528 -5.021 -0.433 1.00 0.00 H new ATOM 0 HA ASP A 172 35.069 -4.252 -2.810 1.00 0.00 H new ATOM 0 HB2 ASP A 172 35.231 -3.136 -0.497 1.00 0.00 H new ATOM 0 HB3 ASP A 172 36.003 -4.604 0.068 1.00 0.00 H new ATOM 567 N ALA A 173 34.887 -7.235 -1.968 1.00 0.00 N ATOM 568 CA ALA A 173 35.336 -8.620 -2.177 1.00 0.00 C ATOM 569 C ALA A 173 34.983 -9.050 -3.611 1.00 0.00 C ATOM 570 O ALA A 173 33.848 -8.866 -4.057 1.00 0.00 O ATOM 571 CB ALA A 173 34.659 -9.552 -1.147 1.00 0.00 C ATOM 0 H ALA A 173 33.902 -7.155 -1.716 1.00 0.00 H new ATOM 0 HA ALA A 173 36.415 -8.685 -2.040 1.00 0.00 H new ATOM 0 HB1 ALA A 173 34.995 -10.576 -1.307 1.00 0.00 H new ATOM 0 HB2 ALA A 173 34.926 -9.235 -0.139 1.00 0.00 H new ATOM 0 HB3 ALA A 173 33.577 -9.503 -1.268 1.00 0.00 H new ATOM 577 N SER A 174 35.977 -9.611 -4.320 1.00 0.00 N ATOM 578 CA SER A 174 35.817 -10.074 -5.716 1.00 0.00 C ATOM 579 C SER A 174 35.284 -8.954 -6.629 1.00 0.00 C ATOM 580 O SER A 174 34.959 -9.250 -7.768 1.00 0.00 O ATOM 581 CB SER A 174 34.885 -11.312 -5.780 1.00 0.00 C ATOM 582 OG SER A 174 33.538 -10.914 -5.562 1.00 0.00 O ATOM 583 OXT SER A 174 35.220 -7.822 -6.178 1.00 0.00 O ATOM 0 H SER A 174 36.914 -9.758 -3.945 1.00 0.00 H new ATOM 0 HA SER A 174 36.804 -10.359 -6.080 1.00 0.00 H new ATOM 0 HB2 SER A 174 34.977 -11.798 -6.751 1.00 0.00 H new ATOM 0 HB3 SER A 174 35.184 -12.043 -5.028 1.00 0.00 H new ATOM 0 HG SER A 174 33.522 -10.031 -5.138 1.00 0.00 H new TER 589 SER A 174 HETATM 590 P1 C2E A 501 28.687 -1.288 10.992 1.00 23.22 P HETATM 591 O2P C2E A 501 28.401 -1.875 12.322 1.00 27.82 O HETATM 592 O1P C2E A 501 28.527 0.169 10.784 1.00 26.89 O HETATM 593 O5' C2E A 501 27.793 -2.056 9.879 1.00 25.51 O HETATM 594 C5' C2E A 501 27.215 -3.355 10.126 1.00 25.60 C HETATM 595 C4' C2E A 501 26.679 -3.998 8.827 1.00 25.10 C HETATM 596 O4' C2E A 501 25.457 -3.354 8.448 1.00 25.66 O HETATM 597 C3' C2E A 501 27.635 -3.913 7.624 1.00 22.74 C HETATM 598 O3' C2E A 501 28.340 -5.161 7.463 1.00 22.93 O HETATM 599 C2' C2E A 501 26.706 -3.706 6.431 1.00 24.36 C HETATM 600 O2' C2E A 501 26.349 -4.957 5.829 1.00 24.56 O HETATM 601 C1' C2E A 501 25.475 -3.030 7.048 1.00 23.97 C HETATM 602 N9 C2E A 501 25.425 -1.540 6.927 1.00 24.40 N HETATM 603 C8 C2E A 501 25.237 -0.598 7.913 1.00 24.12 C HETATM 604 N7 C2E A 501 25.193 0.630 7.471 1.00 22.11 N HETATM 605 C5 C2E A 501 25.366 0.500 6.102 1.00 22.56 C HETATM 606 C6 C2E A 501 25.410 1.501 5.101 1.00 23.36 C HETATM 607 O6 C2E A 501 25.300 2.714 5.241 1.00 24.78 O HETATM 608 N1 C2E A 501 25.606 0.953 3.839 1.00 24.35 N HETATM 609 C2 C2E A 501 25.742 -0.400 3.575 1.00 23.45 C HETATM 610 N2 C2E A 501 25.928 -0.751 2.300 1.00 23.60 N HETATM 611 N3 C2E A 501 25.699 -1.339 4.520 1.00 24.32 N HETATM 612 C4 C2E A 501 25.509 -0.818 5.755 1.00 23.20 C HETATM 613 P11 C2E A 501 29.451 -5.670 8.526 1.00 23.09 P HETATM 614 O21 C2E A 501 28.741 -6.217 9.704 1.00 22.92 O HETATM 615 O11 C2E A 501 30.430 -6.514 7.803 1.00 20.03 O HETATM 616 O5A C2E A 501 30.188 -4.302 8.979 1.00 23.30 O HETATM 617 C5A C2E A 501 31.207 -3.675 8.177 1.00 24.34 C HETATM 618 C4A C2E A 501 31.774 -2.430 8.885 1.00 26.03 C HETATM 619 O4A C2E A 501 32.700 -1.758 8.030 1.00 25.66 O HETATM 620 C3A C2E A 501 30.738 -1.371 9.281 1.00 25.65 C HETATM 621 O3A C2E A 501 30.197 -1.692 10.577 1.00 26.70 O HETATM 622 C2A C2E A 501 31.578 -0.093 9.362 1.00 24.34 C HETATM 623 O2A C2E A 501 32.088 0.106 10.686 1.00 23.55 O HETATM 624 C1A C2E A 501 32.724 -0.355 8.368 1.00 24.17 C HETATM 625 N91 C2E A 501 32.652 0.444 7.104 1.00 24.45 N HETATM 626 C81 C2E A 501 32.393 0.033 5.812 1.00 24.20 C HETATM 627 N71 C2E A 501 32.405 0.997 4.939 1.00 23.82 N HETATM 628 C51 C2E A 501 32.694 2.127 5.684 1.00 23.12 C HETATM 629 C61 C2E A 501 32.842 3.471 5.262 1.00 24.00 C HETATM 630 O61 C2E A 501 32.739 3.927 4.126 1.00 23.59 O HETATM 631 N11 C2E A 501 33.142 4.308 6.322 1.00 25.00 N HETATM 632 C21 C2E A 501 33.278 3.902 7.641 1.00 24.24 C HETATM 633 N21 C2E A 501 33.563 4.848 8.540 1.00 25.28 N HETATM 634 N31 C2E A 501 33.136 2.638 8.036 1.00 22.58 N HETATM 635 C41 C2E A 501 32.847 1.807 7.007 1.00 23.31 C HETATM 0 HO2A C2E A 501 31.628 -0.496 11.308 1.00 23.55 H new HETATM 0 HO2' C2E A 501 26.964 -5.655 6.137 1.00 24.56 H new HETATM 0 HN24 C2E A 501 33.671 5.818 8.243 1.00 25.28 H new HETATM 0 HN23 C2E A 501 33.673 4.600 9.523 1.00 25.28 H new HETATM 0 HN22 C2E A 501 26.034 -1.735 2.052 1.00 23.60 H new HETATM 0 HN21 C2E A 501 25.964 -0.035 1.574 1.00 23.60 H new HETATM 0 HN11 C2E A 501 33.273 5.299 6.118 1.00 25.00 H new HETATM 0 H512 C2E A 501 32.011 -4.385 7.982 1.00 24.34 H new HETATM 0 H511 C2E A 501 30.791 -3.391 7.210 1.00 24.34 H new HETATM 0 H5'2 C2E A 501 27.965 -4.008 10.573 1.00 25.60 H new HETATM 0 H5'1 C2E A 501 26.403 -3.261 10.847 1.00 25.60 H new HETATM 0 HN1 C2E A 501 25.653 1.595 3.048 1.00 24.35 H new HETATM 0 H81 C2E A 501 32.196 -1.006 5.547 1.00 24.20 H new HETATM 0 H8 C2E A 501 25.134 -0.854 8.968 1.00 24.12 H new HETATM 0 H4A C2E A 501 32.223 -2.831 9.794 1.00 26.03 H new HETATM 0 H4' C2E A 501 26.547 -5.054 9.063 1.00 25.10 H new HETATM 0 H3A C2E A 501 29.897 -1.293 8.593 1.00 25.65 H new HETATM 0 H3' C2E A 501 28.379 -3.125 7.736 1.00 22.74 H new HETATM 0 H2A C2E A 501 31.006 0.805 9.128 1.00 24.34 H new HETATM 0 H2' C2E A 501 27.166 -3.117 5.638 1.00 24.36 H new HETATM 0 H1A C2E A 501 33.647 -0.049 8.861 1.00 24.17 H new HETATM 0 H1' C2E A 501 24.616 -3.405 6.491 1.00 23.97 H new HETATM 658 P1 C2E A 502 32.369 9.967 1.688 1.00 23.09 P HETATM 659 O2P C2E A 502 33.411 10.986 1.951 1.00 22.92 O HETATM 660 O1P C2E A 502 31.197 10.320 0.856 1.00 20.03 O HETATM 661 O5' C2E A 502 31.837 9.418 3.116 1.00 23.30 O HETATM 662 C5' C2E A 502 30.568 8.750 3.259 1.00 24.34 C HETATM 663 C4' C2E A 502 30.275 8.426 4.738 1.00 26.03 C HETATM 664 O4' C2E A 502 29.145 7.552 4.846 1.00 25.66 O HETATM 665 C3' C2E A 502 31.409 7.715 5.478 1.00 25.65 C HETATM 666 O3' C2E A 502 32.336 8.691 5.992 1.00 26.70 O HETATM 667 C2' C2E A 502 30.672 7.030 6.633 1.00 24.34 C HETATM 668 O2' C2E A 502 30.569 7.901 7.766 1.00 23.55 O HETATM 669 C1' C2E A 502 29.282 6.740 6.037 1.00 24.17 C HETATM 670 N9 C2E A 502 29.041 5.305 5.670 1.00 24.45 N HETATM 671 C8 C2E A 502 28.807 4.748 4.432 1.00 24.20 C HETATM 672 N7 C2E A 502 28.611 3.460 4.458 1.00 23.82 N HETATM 673 C5 C2E A 502 28.717 3.126 5.801 1.00 23.12 C HETATM 674 C6 C2E A 502 28.591 1.858 6.432 1.00 24.00 C HETATM 675 O6 C2E A 502 28.357 0.771 5.914 1.00 23.59 O HETATM 676 N1 C2E A 502 28.767 1.949 7.804 1.00 25.00 N HETATM 677 C2 C2E A 502 29.035 3.122 8.491 1.00 24.24 C HETATM 678 N2 C2E A 502 29.185 3.026 9.816 1.00 25.28 N HETATM 679 N3 C2E A 502 29.151 4.315 7.896 1.00 22.58 N HETATM 680 C4 C2E A 502 28.981 4.241 6.554 1.00 23.31 C HETATM 681 P11 C2E A 502 33.906 8.351 6.178 1.00 23.22 P HETATM 682 O21 C2E A 502 34.604 9.595 6.580 1.00 27.82 O HETATM 683 O11 C2E A 502 34.016 7.144 7.026 1.00 26.89 O HETATM 684 O5A C2E A 502 34.368 7.954 4.676 1.00 25.51 O HETATM 685 C5A C2E A 502 35.027 8.894 3.803 1.00 25.60 C HETATM 686 C4A C2E A 502 35.121 8.366 2.355 1.00 25.10 C HETATM 687 O4A C2E A 502 36.158 7.378 2.275 1.00 25.66 O HETATM 688 C3A C2E A 502 33.834 7.717 1.815 1.00 22.74 C HETATM 689 O3A C2E A 502 33.090 8.672 1.027 1.00 22.93 O HETATM 690 C2A C2E A 502 34.358 6.608 0.901 1.00 24.36 C HETATM 691 O2A C2E A 502 34.540 7.086 -0.438 1.00 24.56 O HETATM 692 C1A C2E A 502 35.700 6.234 1.532 1.00 23.97 C HETATM 693 N91 C2E A 502 35.660 5.071 2.470 1.00 24.40 N HETATM 694 C81 C2E A 502 35.622 5.073 3.845 1.00 24.12 C HETATM 695 N71 C2E A 502 35.633 3.886 4.378 1.00 22.11 N HETATM 696 C51 C2E A 502 35.677 3.024 3.289 1.00 22.56 C HETATM 697 C61 C2E A 502 35.705 1.603 3.260 1.00 23.36 C HETATM 698 O61 C2E A 502 35.683 0.823 4.207 1.00 24.78 O HETATM 699 N11 C2E A 502 35.751 1.117 1.962 1.00 24.35 N HETATM 700 C21 C2E A 502 35.766 1.907 0.822 1.00 23.45 C HETATM 701 N21 C2E A 502 35.813 1.272 -0.353 1.00 23.60 N HETATM 702 N31 C2E A 502 35.738 3.245 0.851 1.00 24.32 N HETATM 703 C41 C2E A 502 35.694 3.733 2.114 1.00 23.20 C HETATM 0 HO2A C2E A 502 34.070 7.939 -0.547 1.00 24.56 H new HETATM 0 HO2' C2E A 502 31.299 8.554 7.744 1.00 23.55 H new HETATM 0 HN24 C2E A 502 35.836 0.253 -0.381 1.00 23.60 H new HETATM 0 HN23 C2E A 502 35.826 1.807 -1.222 1.00 23.60 H new HETATM 0 HN22 C2E A 502 29.384 3.860 10.369 1.00 25.28 H new HETATM 0 HN21 C2E A 502 29.101 2.119 10.274 1.00 25.28 H new HETATM 0 HN11 C2E A 502 35.776 0.105 1.836 1.00 24.35 H new HETATM 0 H512 C2E A 502 34.484 9.839 3.810 1.00 25.60 H new HETATM 0 H511 C2E A 502 36.029 9.099 4.180 1.00 25.60 H new HETATM 0 H5'2 C2E A 502 29.774 9.380 2.857 1.00 24.34 H new HETATM 0 H5'1 C2E A 502 30.570 7.829 2.675 1.00 24.34 H new HETATM 0 HN1 C2E A 502 28.694 1.089 8.348 1.00 25.00 H new HETATM 0 H81 C2E A 502 35.586 5.988 4.436 1.00 24.12 H new HETATM 0 H8 C2E A 502 28.788 5.333 3.512 1.00 24.20 H new HETATM 0 H4A C2E A 502 35.321 9.247 1.746 1.00 25.10 H new HETATM 0 H4' C2E A 502 30.114 9.404 5.190 1.00 26.03 H new HETATM 0 H3A C2E A 502 33.173 7.360 2.605 1.00 22.74 H new HETATM 0 H3' C2E A 502 31.983 7.027 4.857 1.00 25.65 H new HETATM 0 H2A C2E A 502 33.672 5.765 0.822 1.00 24.36 H new HETATM 0 H2' C2E A 502 31.181 6.136 6.994 1.00 24.34 H new HETATM 0 H1A C2E A 502 36.356 5.941 0.713 1.00 23.97 H new HETATM 0 H1' C2E A 502 28.548 6.975 6.808 1.00 24.17 H new