USER MOD reduce.3.24.130724 H: found=0, std=0, add=334, rem=0, adj=11 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 Set 1.1: A 170 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 501 C2E O2' : rot -12:sc= 0.363 USER MOD Single : A 139 SER OG : rot 28:sc= 0.0646 USER MOD Single : A 140 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 150 TYR OH : rot 172:sc= 0.566 USER MOD Single : A 159 ASN :FLIP amide:sc= -0.263 F(o=-4.1!,f=-0.26) 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 168 LYS NZ :NH3+ 161:sc= -0.0276 (180deg=-0.299) USER MOD Single : A 174 SER OG : rot 180:sc= 0 USER MOD Single : A 501 C2E O2A : rot -24:sc= 0.285 USER MOD Single : A 502 C2E O2' : rot -22:sc= 0.274 USER MOD Single : A 502 C2E O2A : rot -12:sc= 0.341 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 139 7.595 12.295 -1.829 1.00 0.00 N ATOM 2 CA SER A 139 7.100 11.141 -1.026 1.00 0.00 C ATOM 3 C SER A 139 8.263 10.177 -0.753 1.00 0.00 C ATOM 4 O SER A 139 9.392 10.418 -1.183 1.00 0.00 O ATOM 5 CB SER A 139 5.964 10.440 -1.803 1.00 0.00 C ATOM 6 OG SER A 139 4.882 11.349 -1.964 1.00 0.00 O ATOM 0 HA SER A 139 6.707 11.482 -0.068 1.00 0.00 H new ATOM 0 HB2 SER A 139 6.324 10.107 -2.777 1.00 0.00 H new ATOM 0 HB3 SER A 139 5.632 9.552 -1.265 1.00 0.00 H new ATOM 0 HG SER A 139 5.224 12.268 -1.963 1.00 0.00 H new ATOM 14 N LYS A 140 7.963 9.088 -0.029 1.00 0.00 N ATOM 15 CA LYS A 140 8.959 8.057 0.332 1.00 0.00 C ATOM 16 C LYS A 140 9.694 7.523 -0.936 1.00 0.00 C ATOM 17 O LYS A 140 9.055 6.859 -1.755 1.00 0.00 O ATOM 18 CB LYS A 140 8.208 6.886 1.047 1.00 0.00 C ATOM 19 CG LYS A 140 9.195 5.776 1.562 1.00 0.00 C ATOM 20 CD LYS A 140 8.422 4.667 2.353 1.00 0.00 C ATOM 21 CE LYS A 140 9.379 3.532 2.811 1.00 0.00 C ATOM 22 NZ LYS A 140 8.605 2.515 3.580 1.00 0.00 N ATOM 0 H LYS A 140 7.026 8.894 0.324 1.00 0.00 H new ATOM 0 HA LYS A 140 9.710 8.490 0.992 1.00 0.00 H new ATOM 0 HB2 LYS A 140 7.638 7.282 1.888 1.00 0.00 H new ATOM 0 HB3 LYS A 140 7.491 6.441 0.357 1.00 0.00 H new ATOM 0 HG2 LYS A 140 9.718 5.328 0.717 1.00 0.00 H new ATOM 0 HG3 LYS A 140 9.952 6.226 2.204 1.00 0.00 H new ATOM 0 HD2 LYS A 140 7.936 5.109 3.223 1.00 0.00 H new ATOM 0 HD3 LYS A 140 7.635 4.251 1.725 1.00 0.00 H new ATOM 0 HE2 LYS A 140 9.852 3.068 1.945 1.00 0.00 H new ATOM 0 HE3 LYS A 140 10.178 3.942 3.429 1.00 0.00 H new ATOM 0 HZ1 LYS A 140 9.243 1.754 3.888 1.00 0.00 H new ATOM 0 HZ2 LYS A 140 8.174 2.964 4.413 1.00 0.00 H new ATOM 0 HZ3 LYS A 140 7.858 2.117 2.976 1.00 0.00 H new ATOM 36 N PRO A 141 11.004 7.777 -1.128 1.00 0.00 N ATOM 37 CA PRO A 141 11.748 7.273 -2.335 1.00 0.00 C ATOM 38 C PRO A 141 12.300 5.856 -2.099 1.00 0.00 C ATOM 39 O PRO A 141 12.240 5.343 -0.979 1.00 0.00 O ATOM 40 CB PRO A 141 12.877 8.310 -2.482 1.00 0.00 C ATOM 41 CG PRO A 141 13.241 8.659 -1.064 1.00 0.00 C ATOM 42 CD PRO A 141 11.926 8.558 -0.247 1.00 0.00 C ATOM 0 HA PRO A 141 11.128 7.182 -3.227 1.00 0.00 H new ATOM 0 HB2 PRO A 141 13.729 7.898 -3.022 1.00 0.00 H new ATOM 0 HB3 PRO A 141 12.543 9.188 -3.035 1.00 0.00 H new ATOM 0 HG2 PRO A 141 13.995 7.975 -0.675 1.00 0.00 H new ATOM 0 HG3 PRO A 141 13.661 9.663 -1.005 1.00 0.00 H new ATOM 0 HD2 PRO A 141 12.087 8.054 0.706 1.00 0.00 H new ATOM 0 HD3 PRO A 141 11.521 9.544 -0.022 1.00 0.00 H new ATOM 50 N ARG A 142 12.841 5.241 -3.163 1.00 0.00 N ATOM 51 CA ARG A 142 13.413 3.880 -3.072 1.00 0.00 C ATOM 52 C ARG A 142 14.738 3.939 -2.272 1.00 0.00 C ATOM 53 O ARG A 142 14.797 4.617 -1.244 1.00 0.00 O ATOM 54 CB ARG A 142 13.621 3.292 -4.504 1.00 0.00 C ATOM 55 CG ARG A 142 12.285 3.314 -5.320 1.00 0.00 C ATOM 56 CD ARG A 142 12.500 2.752 -6.752 1.00 0.00 C ATOM 57 NE ARG A 142 12.965 1.356 -6.684 1.00 0.00 N ATOM 58 CZ ARG A 142 13.125 0.596 -7.781 1.00 0.00 C ATOM 59 NH1 ARG A 142 12.858 1.074 -8.968 1.00 0.00 N ATOM 60 NH2 ARG A 142 13.550 -0.632 -7.659 1.00 0.00 N ATOM 0 H ARG A 142 12.896 5.658 -4.092 1.00 0.00 H new ATOM 0 HA ARG A 142 12.727 3.217 -2.545 1.00 0.00 H new ATOM 0 HB2 ARG A 142 14.382 3.868 -5.030 1.00 0.00 H new ATOM 0 HB3 ARG A 142 13.990 2.269 -4.431 1.00 0.00 H new ATOM 0 HG2 ARG A 142 11.529 2.723 -4.803 1.00 0.00 H new ATOM 0 HG3 ARG A 142 11.907 4.335 -5.379 1.00 0.00 H new ATOM 0 HD2 ARG A 142 11.569 2.806 -7.316 1.00 0.00 H new ATOM 0 HD3 ARG A 142 13.231 3.361 -7.284 1.00 0.00 H new ATOM 0 HE ARG A 142 13.173 0.951 -5.771 1.00 0.00 H new ATOM 0 HH11 ARG A 142 12.525 2.033 -9.069 1.00 0.00 H new ATOM 0 HH12 ARG A 142 12.983 0.488 -9.794 1.00 0.00 H new ATOM 0 HH21 ARG A 142 13.759 -1.010 -6.735 1.00 0.00 H new ATOM 0 HH22 ARG A 142 13.673 -1.214 -8.488 1.00 0.00 H new ATOM 74 N GLU A 143 15.795 3.244 -2.748 1.00 0.00 N ATOM 75 CA GLU A 143 17.118 3.240 -2.076 1.00 0.00 C ATOM 76 C GLU A 143 16.992 2.830 -0.589 1.00 0.00 C ATOM 77 O GLU A 143 17.225 3.657 0.299 1.00 0.00 O ATOM 78 CB GLU A 143 17.770 4.666 -2.192 1.00 0.00 C ATOM 79 CG GLU A 143 17.880 5.115 -3.684 1.00 0.00 C ATOM 80 CD GLU A 143 18.584 6.478 -3.790 1.00 0.00 C ATOM 81 OE1 GLU A 143 17.925 7.483 -3.578 1.00 0.00 O ATOM 82 OE2 GLU A 143 19.771 6.493 -4.080 1.00 0.00 O ATOM 0 H GLU A 143 15.760 2.678 -3.596 1.00 0.00 H new ATOM 0 HA GLU A 143 17.754 2.506 -2.571 1.00 0.00 H new ATOM 0 HB2 GLU A 143 17.173 5.388 -1.635 1.00 0.00 H new ATOM 0 HB3 GLU A 143 18.761 4.654 -1.739 1.00 0.00 H new ATOM 0 HG2 GLU A 143 18.434 4.369 -4.254 1.00 0.00 H new ATOM 0 HG3 GLU A 143 16.885 5.179 -4.124 1.00 0.00 H new ATOM 89 N TRP A 144 16.585 1.573 -0.325 1.00 0.00 N ATOM 90 CA TRP A 144 16.389 1.093 1.066 1.00 0.00 C ATOM 91 C TRP A 144 17.173 -0.199 1.369 1.00 0.00 C ATOM 92 O TRP A 144 16.915 -1.241 0.761 1.00 0.00 O ATOM 93 CB TRP A 144 14.875 0.865 1.310 1.00 0.00 C ATOM 94 CG TRP A 144 14.577 0.812 2.792 1.00 0.00 C ATOM 95 CD1 TRP A 144 14.534 -0.313 3.544 1.00 0.00 C ATOM 96 CD2 TRP A 144 14.291 1.918 3.700 1.00 0.00 C ATOM 97 NE1 TRP A 144 14.223 0.035 4.849 1.00 0.00 N ATOM 98 CE2 TRP A 144 14.061 1.395 4.993 1.00 0.00 C ATOM 99 CE3 TRP A 144 14.202 3.309 3.523 1.00 0.00 C ATOM 100 CZ2 TRP A 144 13.751 2.219 6.074 1.00 0.00 C ATOM 101 CZ3 TRP A 144 13.892 4.149 4.611 1.00 0.00 C ATOM 102 CH2 TRP A 144 13.663 3.603 5.884 1.00 0.00 C ATOM 0 H TRP A 144 16.387 0.876 -1.043 1.00 0.00 H new ATOM 0 HA TRP A 144 16.777 1.857 1.739 1.00 0.00 H new ATOM 0 HB2 TRP A 144 14.301 1.668 0.847 1.00 0.00 H new ATOM 0 HB3 TRP A 144 14.561 -0.065 0.837 1.00 0.00 H new ATOM 0 HD1 TRP A 144 14.713 -1.316 3.186 1.00 0.00 H new ATOM 0 HE1 TRP A 144 14.126 -0.636 5.611 1.00 0.00 H new ATOM 0 HE3 TRP A 144 14.372 3.737 2.546 1.00 0.00 H new ATOM 0 HZ2 TRP A 144 13.580 1.792 7.051 1.00 0.00 H new ATOM 0 HZ3 TRP A 144 13.830 5.217 4.465 1.00 0.00 H new ATOM 0 HH2 TRP A 144 13.420 4.249 6.714 1.00 0.00 H new ATOM 113 N VAL A 145 18.098 -0.112 2.347 1.00 0.00 N ATOM 114 CA VAL A 145 18.907 -1.262 2.801 1.00 0.00 C ATOM 115 C VAL A 145 18.486 -1.606 4.243 1.00 0.00 C ATOM 116 O VAL A 145 18.406 -0.705 5.089 1.00 0.00 O ATOM 117 CB VAL A 145 20.439 -0.914 2.705 1.00 0.00 C ATOM 118 CG1 VAL A 145 20.793 0.367 3.527 1.00 0.00 C ATOM 119 CG2 VAL A 145 21.320 -2.123 3.180 1.00 0.00 C ATOM 0 H VAL A 145 18.305 0.755 2.843 1.00 0.00 H new ATOM 0 HA VAL A 145 18.736 -2.131 2.166 1.00 0.00 H new ATOM 0 HB VAL A 145 20.658 -0.712 1.656 1.00 0.00 H new ATOM 0 HG11 VAL A 145 21.859 0.575 3.436 1.00 0.00 H new ATOM 0 HG12 VAL A 145 20.224 1.214 3.144 1.00 0.00 H new ATOM 0 HG13 VAL A 145 20.543 0.207 4.576 1.00 0.00 H new ATOM 0 HG21 VAL A 145 22.374 -1.857 3.104 1.00 0.00 H new ATOM 0 HG22 VAL A 145 21.080 -2.363 4.216 1.00 0.00 H new ATOM 0 HG23 VAL A 145 21.118 -2.990 2.551 1.00 0.00 H new ATOM 129 N GLU A 146 18.198 -2.894 4.514 1.00 0.00 N ATOM 130 CA GLU A 146 17.767 -3.341 5.858 1.00 0.00 C ATOM 131 C GLU A 146 18.784 -4.318 6.481 1.00 0.00 C ATOM 132 O GLU A 146 18.916 -5.463 6.045 1.00 0.00 O ATOM 133 CB GLU A 146 16.334 -3.974 5.800 1.00 0.00 C ATOM 134 CG GLU A 146 16.217 -5.149 4.772 1.00 0.00 C ATOM 135 CD GLU A 146 16.367 -4.652 3.327 1.00 0.00 C ATOM 136 OE1 GLU A 146 17.414 -4.885 2.741 1.00 0.00 O ATOM 137 OE2 GLU A 146 15.433 -4.044 2.831 1.00 0.00 O ATOM 0 H GLU A 146 18.255 -3.643 3.824 1.00 0.00 H new ATOM 0 HA GLU A 146 17.723 -2.463 6.503 1.00 0.00 H new ATOM 0 HB2 GLU A 146 16.066 -4.340 6.791 1.00 0.00 H new ATOM 0 HB3 GLU A 146 15.613 -3.200 5.540 1.00 0.00 H new ATOM 0 HG2 GLU A 146 16.983 -5.895 4.982 1.00 0.00 H new ATOM 0 HG3 GLU A 146 15.252 -5.642 4.890 1.00 0.00 H new ATOM 144 N ALA A 147 19.486 -3.839 7.522 1.00 0.00 N ATOM 145 CA ALA A 147 20.487 -4.630 8.263 1.00 0.00 C ATOM 146 C ALA A 147 20.095 -4.639 9.750 1.00 0.00 C ATOM 147 O ALA A 147 19.394 -3.736 10.210 1.00 0.00 O ATOM 148 CB ALA A 147 21.891 -4.022 8.060 1.00 0.00 C ATOM 0 H ALA A 147 19.376 -2.889 7.876 1.00 0.00 H new ATOM 0 HA ALA A 147 20.513 -5.655 7.893 1.00 0.00 H new ATOM 0 HB1 ALA A 147 22.625 -4.611 8.610 1.00 0.00 H new ATOM 0 HB2 ALA A 147 22.141 -4.029 6.999 1.00 0.00 H new ATOM 0 HB3 ALA A 147 21.900 -2.996 8.428 1.00 0.00 H new ATOM 154 N VAL A 148 20.498 -5.686 10.484 1.00 0.00 N ATOM 155 CA VAL A 148 20.118 -5.856 11.900 1.00 0.00 C ATOM 156 C VAL A 148 20.485 -4.658 12.794 1.00 0.00 C ATOM 157 O VAL A 148 19.702 -4.298 13.681 1.00 0.00 O ATOM 158 CB VAL A 148 20.791 -7.167 12.451 1.00 0.00 C ATOM 159 CG1 VAL A 148 20.280 -8.413 11.656 1.00 0.00 C ATOM 160 CG2 VAL A 148 22.355 -7.083 12.336 1.00 0.00 C ATOM 0 H VAL A 148 21.090 -6.433 10.121 1.00 0.00 H new ATOM 0 HA VAL A 148 19.031 -5.927 11.933 1.00 0.00 H new ATOM 0 HB VAL A 148 20.519 -7.269 13.502 1.00 0.00 H new ATOM 0 HG11 VAL A 148 20.753 -9.313 12.047 1.00 0.00 H new ATOM 0 HG12 VAL A 148 19.199 -8.495 11.764 1.00 0.00 H new ATOM 0 HG13 VAL A 148 20.531 -8.300 10.601 1.00 0.00 H new ATOM 0 HG21 VAL A 148 22.798 -8.001 12.723 1.00 0.00 H new ATOM 0 HG22 VAL A 148 22.637 -6.957 11.291 1.00 0.00 H new ATOM 0 HG23 VAL A 148 22.717 -6.233 12.914 1.00 0.00 H new ATOM 170 N ALA A 149 21.661 -4.059 12.583 1.00 0.00 N ATOM 171 CA ALA A 149 22.095 -2.921 13.413 1.00 0.00 C ATOM 172 C ALA A 149 21.769 -1.580 12.743 1.00 0.00 C ATOM 173 O ALA A 149 21.598 -0.566 13.428 1.00 0.00 O ATOM 174 CB ALA A 149 23.625 -3.028 13.629 1.00 0.00 C ATOM 0 H ALA A 149 22.323 -4.334 11.858 1.00 0.00 H new ATOM 0 HA ALA A 149 21.564 -2.957 14.364 1.00 0.00 H new ATOM 0 HB1 ALA A 149 23.965 -2.193 14.242 1.00 0.00 H new ATOM 0 HB2 ALA A 149 23.857 -3.966 14.133 1.00 0.00 H new ATOM 0 HB3 ALA A 149 24.132 -3.000 12.664 1.00 0.00 H new ATOM 180 N TYR A 150 21.672 -1.597 11.401 1.00 0.00 N ATOM 181 CA TYR A 150 21.350 -0.390 10.615 1.00 0.00 C ATOM 182 C TYR A 150 20.044 -0.561 9.821 1.00 0.00 C ATOM 183 O TYR A 150 19.913 -1.512 9.050 1.00 0.00 O ATOM 184 CB TYR A 150 22.527 -0.032 9.672 1.00 0.00 C ATOM 185 CG TYR A 150 22.266 1.334 9.006 1.00 0.00 C ATOM 186 CD1 TYR A 150 22.455 2.528 9.738 1.00 0.00 C ATOM 187 CD2 TYR A 150 21.814 1.409 7.669 1.00 0.00 C ATOM 188 CE1 TYR A 150 22.199 3.770 9.140 1.00 0.00 C ATOM 189 CE2 TYR A 150 21.565 2.657 7.082 1.00 0.00 C ATOM 190 CZ TYR A 150 21.756 3.833 7.816 1.00 0.00 C ATOM 191 OH TYR A 150 21.504 5.058 7.232 1.00 0.00 O ATOM 0 H TYR A 150 21.812 -2.435 10.837 1.00 0.00 H new ATOM 0 HA TYR A 150 21.199 0.433 11.313 1.00 0.00 H new ATOM 0 HB2 TYR A 150 23.460 0.000 10.235 1.00 0.00 H new ATOM 0 HB3 TYR A 150 22.642 -0.803 8.910 1.00 0.00 H new ATOM 0 HD1 TYR A 150 22.798 2.484 10.761 1.00 0.00 H new ATOM 0 HD2 TYR A 150 21.660 0.504 7.100 1.00 0.00 H new ATOM 0 HE1 TYR A 150 22.344 4.680 9.704 1.00 0.00 H new ATOM 0 HE2 TYR A 150 21.224 2.711 6.059 1.00 0.00 H new ATOM 0 HH TYR A 150 21.323 4.934 6.277 1.00 0.00 H new ATOM 201 N VAL A 151 19.118 0.399 9.968 1.00 0.00 N ATOM 202 CA VAL A 151 17.850 0.403 9.218 1.00 0.00 C ATOM 203 C VAL A 151 17.666 1.817 8.656 1.00 0.00 C ATOM 204 O VAL A 151 17.600 2.782 9.423 1.00 0.00 O ATOM 205 CB VAL A 151 16.653 0.011 10.153 1.00 0.00 C ATOM 206 CG1 VAL A 151 15.297 0.011 9.363 1.00 0.00 C ATOM 207 CG2 VAL A 151 16.900 -1.405 10.776 1.00 0.00 C ATOM 0 H VAL A 151 19.224 1.189 10.604 1.00 0.00 H new ATOM 0 HA VAL A 151 17.874 -0.329 8.411 1.00 0.00 H new ATOM 0 HB VAL A 151 16.589 0.753 10.949 1.00 0.00 H new ATOM 0 HG11 VAL A 151 14.484 -0.264 10.035 1.00 0.00 H new ATOM 0 HG12 VAL A 151 15.112 1.006 8.958 1.00 0.00 H new ATOM 0 HG13 VAL A 151 15.352 -0.709 8.546 1.00 0.00 H new ATOM 0 HG21 VAL A 151 16.064 -1.668 11.424 1.00 0.00 H new ATOM 0 HG22 VAL A 151 16.988 -2.143 9.979 1.00 0.00 H new ATOM 0 HG23 VAL A 151 17.820 -1.390 11.360 1.00 0.00 H new ATOM 217 N GLY A 152 17.599 1.931 7.319 1.00 0.00 N ATOM 218 CA GLY A 152 17.442 3.231 6.654 1.00 0.00 C ATOM 219 C GLY A 152 18.130 3.224 5.283 1.00 0.00 C ATOM 220 O GLY A 152 18.628 2.182 4.857 1.00 0.00 O ATOM 0 H GLY A 152 17.651 1.138 6.680 1.00 0.00 H new ATOM 0 HA2 GLY A 152 16.383 3.458 6.534 1.00 0.00 H new ATOM 0 HA3 GLY A 152 17.868 4.018 7.277 1.00 0.00 H new ATOM 224 N PRO A 153 18.173 4.358 4.576 1.00 0.00 N ATOM 225 CA PRO A 153 18.832 4.447 3.223 1.00 0.00 C ATOM 226 C PRO A 153 20.364 4.323 3.311 1.00 0.00 C ATOM 227 O PRO A 153 20.965 4.582 4.354 1.00 0.00 O ATOM 228 CB PRO A 153 18.398 5.835 2.692 1.00 0.00 C ATOM 229 CG PRO A 153 18.147 6.653 3.922 1.00 0.00 C ATOM 230 CD PRO A 153 17.598 5.672 4.974 1.00 0.00 C ATOM 0 HA PRO A 153 18.533 3.632 2.564 1.00 0.00 H new ATOM 0 HB2 PRO A 153 19.175 6.282 2.071 1.00 0.00 H new ATOM 0 HB3 PRO A 153 17.502 5.761 2.076 1.00 0.00 H new ATOM 0 HG2 PRO A 153 19.065 7.127 4.271 1.00 0.00 H new ATOM 0 HG3 PRO A 153 17.433 7.451 3.721 1.00 0.00 H new ATOM 0 HD2 PRO A 153 17.905 5.954 5.981 1.00 0.00 H new ATOM 0 HD3 PRO A 153 16.508 5.649 4.968 1.00 0.00 H new ATOM 238 N ASP A 154 20.967 3.911 2.190 1.00 0.00 N ATOM 239 CA ASP A 154 22.419 3.712 2.064 1.00 0.00 C ATOM 240 C ASP A 154 23.201 5.027 2.213 1.00 0.00 C ATOM 241 O ASP A 154 22.944 6.001 1.503 1.00 0.00 O ATOM 242 CB ASP A 154 22.691 3.087 0.673 1.00 0.00 C ATOM 243 CG ASP A 154 24.161 2.734 0.454 1.00 0.00 C ATOM 244 OD1 ASP A 154 24.457 2.156 -0.579 1.00 0.00 O ATOM 245 OD2 ASP A 154 24.963 3.034 1.315 1.00 0.00 O ATOM 0 H ASP A 154 20.455 3.703 1.332 1.00 0.00 H new ATOM 0 HA ASP A 154 22.758 3.055 2.865 1.00 0.00 H new ATOM 0 HB2 ASP A 154 22.086 2.187 0.561 1.00 0.00 H new ATOM 0 HB3 ASP A 154 22.371 3.784 -0.101 1.00 0.00 H new ATOM 250 N ARG A 155 24.152 5.023 3.152 1.00 0.00 N ATOM 251 CA ARG A 155 25.000 6.196 3.437 1.00 0.00 C ATOM 252 C ARG A 155 26.106 6.347 2.373 1.00 0.00 C ATOM 253 O ARG A 155 26.906 7.283 2.437 1.00 0.00 O ATOM 254 CB ARG A 155 25.625 6.045 4.857 1.00 0.00 C ATOM 255 CG ARG A 155 24.521 6.127 5.962 1.00 0.00 C ATOM 256 CD ARG A 155 25.108 5.841 7.375 1.00 0.00 C ATOM 257 NE ARG A 155 25.336 4.393 7.572 1.00 0.00 N ATOM 258 CZ ARG A 155 25.777 3.898 8.738 1.00 0.00 C ATOM 259 NH1 ARG A 155 26.112 4.697 9.717 1.00 0.00 N ATOM 260 NH2 ARG A 155 25.879 2.610 8.890 1.00 0.00 N ATOM 0 H ARG A 155 24.359 4.213 3.736 1.00 0.00 H new ATOM 0 HA ARG A 155 24.385 7.095 3.406 1.00 0.00 H new ATOM 0 HB2 ARG A 155 26.148 5.091 4.929 1.00 0.00 H new ATOM 0 HB3 ARG A 155 26.366 6.828 5.018 1.00 0.00 H new ATOM 0 HG2 ARG A 155 24.065 7.117 5.950 1.00 0.00 H new ATOM 0 HG3 ARG A 155 23.731 5.409 5.743 1.00 0.00 H new ATOM 0 HD2 ARG A 155 26.047 6.381 7.498 1.00 0.00 H new ATOM 0 HD3 ARG A 155 24.424 6.212 8.139 1.00 0.00 H new ATOM 0 HE ARG A 155 25.153 3.753 6.799 1.00 0.00 H new ATOM 0 HH11 ARG A 155 26.039 5.707 9.598 1.00 0.00 H new ATOM 0 HH12 ARG A 155 26.446 4.310 10.600 1.00 0.00 H new ATOM 0 HH21 ARG A 155 25.624 1.985 8.126 1.00 0.00 H new ATOM 0 HH22 ARG A 155 26.214 2.226 9.774 1.00 0.00 H new ATOM 274 N ARG A 156 26.135 5.416 1.405 1.00 0.00 N ATOM 275 CA ARG A 156 27.137 5.423 0.314 1.00 0.00 C ATOM 276 C ARG A 156 26.583 6.156 -0.919 1.00 0.00 C ATOM 277 O ARG A 156 25.444 5.928 -1.329 1.00 0.00 O ATOM 278 CB ARG A 156 27.517 3.956 -0.058 1.00 0.00 C ATOM 279 CG ARG A 156 28.099 3.217 1.198 1.00 0.00 C ATOM 280 CD ARG A 156 28.361 1.715 0.923 1.00 0.00 C ATOM 281 NE ARG A 156 28.690 1.046 2.194 1.00 0.00 N ATOM 282 CZ ARG A 156 28.873 -0.276 2.291 1.00 0.00 C ATOM 283 NH1 ARG A 156 28.892 -1.028 1.223 1.00 0.00 N ATOM 284 NH2 ARG A 156 29.041 -0.809 3.467 1.00 0.00 N ATOM 0 H ARG A 156 25.473 4.642 1.352 1.00 0.00 H new ATOM 0 HA ARG A 156 28.028 5.949 0.655 1.00 0.00 H new ATOM 0 HB2 ARG A 156 26.639 3.427 -0.427 1.00 0.00 H new ATOM 0 HB3 ARG A 156 28.251 3.955 -0.863 1.00 0.00 H new ATOM 0 HG2 ARG A 156 29.029 3.697 1.501 1.00 0.00 H new ATOM 0 HG3 ARG A 156 27.403 3.316 2.031 1.00 0.00 H new ATOM 0 HD2 ARG A 156 27.481 1.256 0.472 1.00 0.00 H new ATOM 0 HD3 ARG A 156 29.180 1.599 0.213 1.00 0.00 H new ATOM 0 HE ARG A 156 28.782 1.615 3.036 1.00 0.00 H new ATOM 0 HH11 ARG A 156 28.767 -0.609 0.302 1.00 0.00 H new ATOM 0 HH12 ARG A 156 29.032 -2.035 1.310 1.00 0.00 H new ATOM 0 HH21 ARG A 156 29.032 -0.220 4.300 1.00 0.00 H new ATOM 0 HH22 ARG A 156 29.181 -1.815 3.555 1.00 0.00 H new ATOM 298 N ARG A 157 27.414 7.039 -1.490 1.00 0.00 N ATOM 299 CA ARG A 157 27.061 7.834 -2.673 1.00 0.00 C ATOM 300 C ARG A 157 28.350 8.242 -3.404 1.00 0.00 C ATOM 301 O ARG A 157 28.305 8.687 -4.555 1.00 0.00 O ATOM 302 CB ARG A 157 26.245 9.089 -2.223 1.00 0.00 C ATOM 303 CG ARG A 157 25.687 9.901 -3.443 1.00 0.00 C ATOM 304 CD ARG A 157 24.858 11.131 -2.976 1.00 0.00 C ATOM 305 NE ARG A 157 24.359 11.869 -4.151 1.00 0.00 N ATOM 306 CZ ARG A 157 23.797 13.087 -4.063 1.00 0.00 C ATOM 307 NH1 ARG A 157 23.680 13.691 -2.907 1.00 0.00 N ATOM 308 NH2 ARG A 157 23.367 13.674 -5.146 1.00 0.00 N ATOM 0 H ARG A 157 28.355 7.222 -1.142 1.00 0.00 H new ATOM 0 HA ARG A 157 26.444 7.251 -3.357 1.00 0.00 H new ATOM 0 HB2 ARG A 157 25.416 8.773 -1.589 1.00 0.00 H new ATOM 0 HB3 ARG A 157 26.881 9.736 -1.618 1.00 0.00 H new ATOM 0 HG2 ARG A 157 26.515 10.235 -4.069 1.00 0.00 H new ATOM 0 HG3 ARG A 157 25.063 9.253 -4.059 1.00 0.00 H new ATOM 0 HD2 ARG A 157 24.022 10.805 -2.358 1.00 0.00 H new ATOM 0 HD3 ARG A 157 25.475 11.784 -2.359 1.00 0.00 H new ATOM 0 HE ARG A 157 24.444 11.436 -5.071 1.00 0.00 H new ATOM 0 HH11 ARG A 157 24.018 13.237 -2.058 1.00 0.00 H new ATOM 0 HH12 ARG A 157 23.251 14.615 -2.856 1.00 0.00 H new ATOM 0 HH21 ARG A 157 23.459 13.209 -6.049 1.00 0.00 H new ATOM 0 HH22 ARG A 157 22.939 14.598 -5.090 1.00 0.00 H new ATOM 322 N PHE A 158 29.498 8.029 -2.740 1.00 0.00 N ATOM 323 CA PHE A 158 30.830 8.315 -3.304 1.00 0.00 C ATOM 324 C PHE A 158 31.572 6.984 -3.479 1.00 0.00 C ATOM 325 O PHE A 158 31.379 6.077 -2.666 1.00 0.00 O ATOM 326 CB PHE A 158 31.615 9.249 -2.330 1.00 0.00 C ATOM 327 CG PHE A 158 32.636 10.116 -3.094 1.00 0.00 C ATOM 328 CD1 PHE A 158 34.023 9.848 -3.016 1.00 0.00 C ATOM 329 CD2 PHE A 158 32.185 11.194 -3.889 1.00 0.00 C ATOM 330 CE1 PHE A 158 34.936 10.647 -3.723 1.00 0.00 C ATOM 331 CE2 PHE A 158 33.105 11.988 -4.592 1.00 0.00 C ATOM 332 CZ PHE A 158 34.478 11.715 -4.509 1.00 0.00 C ATOM 0 H PHE A 158 29.530 7.652 -1.793 1.00 0.00 H new ATOM 0 HA PHE A 158 30.740 8.816 -4.268 1.00 0.00 H new ATOM 0 HB2 PHE A 158 30.916 9.892 -1.795 1.00 0.00 H new ATOM 0 HB3 PHE A 158 32.132 8.648 -1.582 1.00 0.00 H new ATOM 0 HD1 PHE A 158 34.380 9.027 -2.412 1.00 0.00 H new ATOM 0 HD2 PHE A 158 31.128 11.408 -3.956 1.00 0.00 H new ATOM 0 HE1 PHE A 158 35.994 10.439 -3.661 1.00 0.00 H new ATOM 0 HE2 PHE A 158 32.755 12.811 -5.198 1.00 0.00 H new ATOM 0 HZ PHE A 158 35.184 12.328 -5.051 1.00 0.00 H new ATOM 342 N ASN A 159 32.439 6.873 -4.504 1.00 0.00 N ATOM 343 CA ASN A 159 33.228 5.653 -4.726 1.00 0.00 C ATOM 344 C ASN A 159 34.607 6.105 -5.216 1.00 0.00 C ATOM 345 O ASN A 159 34.706 6.708 -6.288 1.00 0.00 O ATOM 346 CB ASN A 159 32.524 4.733 -5.760 1.00 0.00 C ATOM 347 CG ASN A 159 33.202 3.355 -5.856 1.00 0.00 C ATOM 348 OD1 ASN A 159 34.443 3.210 -5.478 1.00 0.00 O flip ATOM 349 ND2 ASN A 159 32.577 2.386 -6.290 1.00 0.00 N flip ATOM 0 H ASN A 159 32.608 7.612 -5.187 1.00 0.00 H new ATOM 0 HA ASN A 159 33.327 5.069 -3.811 1.00 0.00 H new ATOM 0 HB2 ASN A 159 31.479 4.605 -5.479 1.00 0.00 H new ATOM 0 HB3 ASN A 159 32.535 5.212 -6.739 1.00 0.00 H new ATOM 0 HD21 ASN A 159 31.607 2.496 -6.586 1.00 0.00 H new ATOM 0 HD22 ASN A 159 33.029 1.474 -6.353 1.00 0.00 H new ATOM 356 N SER A 160 35.657 5.824 -4.428 1.00 0.00 N ATOM 357 CA SER A 160 37.033 6.211 -4.775 1.00 0.00 C ATOM 358 C SER A 160 37.855 4.967 -5.156 1.00 0.00 C ATOM 359 O SER A 160 38.227 4.215 -4.252 1.00 0.00 O ATOM 360 CB SER A 160 37.655 6.880 -3.527 1.00 0.00 C ATOM 361 OG SER A 160 38.988 7.280 -3.817 1.00 0.00 O ATOM 0 H SER A 160 35.578 5.327 -3.541 1.00 0.00 H new ATOM 0 HA SER A 160 37.032 6.894 -5.625 1.00 0.00 H new ATOM 0 HB2 SER A 160 37.061 7.745 -3.231 1.00 0.00 H new ATOM 0 HB3 SER A 160 37.647 6.185 -2.687 1.00 0.00 H new ATOM 0 HG SER A 160 39.381 7.705 -3.026 1.00 0.00 H new ATOM 367 N ALA A 161 38.159 4.700 -6.441 1.00 0.00 N ATOM 368 CA ALA A 161 38.954 3.500 -6.797 1.00 0.00 C ATOM 369 C ALA A 161 40.434 3.707 -6.421 1.00 0.00 C ATOM 370 O ALA A 161 41.232 2.766 -6.432 1.00 0.00 O ATOM 371 CB ALA A 161 38.814 3.210 -8.310 1.00 0.00 C ATOM 0 H ALA A 161 37.877 5.278 -7.233 1.00 0.00 H new ATOM 0 HA ALA A 161 38.576 2.644 -6.238 1.00 0.00 H new ATOM 0 HB1 ALA A 161 39.400 2.327 -8.567 1.00 0.00 H new ATOM 0 HB2 ALA A 161 37.766 3.033 -8.551 1.00 0.00 H new ATOM 0 HB3 ALA A 161 39.178 4.065 -8.880 1.00 0.00 H new ATOM 377 N ASP A 162 40.756 4.965 -6.091 1.00 0.00 N ATOM 378 CA ASP A 162 42.110 5.392 -5.698 1.00 0.00 C ATOM 379 C ASP A 162 42.148 5.631 -4.174 1.00 0.00 C ATOM 380 O ASP A 162 42.849 6.526 -3.691 1.00 0.00 O ATOM 381 CB ASP A 162 42.438 6.714 -6.462 1.00 0.00 C ATOM 382 CG ASP A 162 43.898 7.166 -6.256 1.00 0.00 C ATOM 383 OD1 ASP A 162 44.704 6.364 -5.808 1.00 0.00 O ATOM 384 OD2 ASP A 162 44.186 8.314 -6.559 1.00 0.00 O ATOM 0 H ASP A 162 40.077 5.726 -6.089 1.00 0.00 H new ATOM 0 HA ASP A 162 42.846 4.627 -5.947 1.00 0.00 H new ATOM 0 HB2 ASP A 162 42.252 6.571 -7.526 1.00 0.00 H new ATOM 0 HB3 ASP A 162 41.765 7.502 -6.124 1.00 0.00 H new ATOM 389 N TYR A 163 41.347 4.853 -3.422 1.00 0.00 N ATOM 390 CA TYR A 163 41.247 5.016 -1.963 1.00 0.00 C ATOM 391 C TYR A 163 42.520 4.549 -1.235 1.00 0.00 C ATOM 392 O TYR A 163 42.873 3.369 -1.298 1.00 0.00 O ATOM 393 CB TYR A 163 40.021 4.210 -1.448 1.00 0.00 C ATOM 394 CG TYR A 163 39.824 4.391 0.068 1.00 0.00 C ATOM 395 CD1 TYR A 163 39.419 5.642 0.580 1.00 0.00 C ATOM 396 CD2 TYR A 163 40.044 3.316 0.961 1.00 0.00 C ATOM 397 CE1 TYR A 163 39.239 5.814 1.961 1.00 0.00 C ATOM 398 CE2 TYR A 163 39.860 3.502 2.337 1.00 0.00 C ATOM 399 CZ TYR A 163 39.460 4.746 2.834 1.00 0.00 C ATOM 400 OH TYR A 163 39.282 4.918 4.192 1.00 0.00 O ATOM 0 H TYR A 163 40.762 4.108 -3.801 1.00 0.00 H new ATOM 0 HA TYR A 163 41.126 6.078 -1.750 1.00 0.00 H new ATOM 0 HB2 TYR A 163 39.123 4.535 -1.974 1.00 0.00 H new ATOM 0 HB3 TYR A 163 40.158 3.153 -1.675 1.00 0.00 H new ATOM 0 HD1 TYR A 163 39.247 6.469 -0.093 1.00 0.00 H new ATOM 0 HD2 TYR A 163 40.353 2.353 0.582 1.00 0.00 H new ATOM 0 HE1 TYR A 163 38.929 6.773 2.349 1.00 0.00 H new ATOM 0 HE2 TYR A 163 40.028 2.680 3.017 1.00 0.00 H new ATOM 0 HH TYR A 163 39.476 4.077 4.656 1.00 0.00 H new ATOM 410 N LYS A 164 43.165 5.481 -0.510 1.00 0.00 N ATOM 411 CA LYS A 164 44.368 5.181 0.284 1.00 0.00 C ATOM 412 C LYS A 164 43.959 5.101 1.767 1.00 0.00 C ATOM 413 O LYS A 164 43.810 6.131 2.431 1.00 0.00 O ATOM 414 CB LYS A 164 45.433 6.301 0.070 1.00 0.00 C ATOM 415 CG LYS A 164 45.878 6.364 -1.432 1.00 0.00 C ATOM 416 CD LYS A 164 47.062 7.373 -1.655 1.00 0.00 C ATOM 417 CE LYS A 164 46.624 8.850 -1.437 1.00 0.00 C ATOM 418 NZ LYS A 164 47.735 9.755 -1.855 1.00 0.00 N ATOM 0 H LYS A 164 42.869 6.456 -0.459 1.00 0.00 H new ATOM 0 HA LYS A 164 44.804 4.232 -0.028 1.00 0.00 H new ATOM 0 HB2 LYS A 164 45.021 7.264 0.373 1.00 0.00 H new ATOM 0 HB3 LYS A 164 46.300 6.111 0.703 1.00 0.00 H new ATOM 0 HG2 LYS A 164 46.182 5.370 -1.762 1.00 0.00 H new ATOM 0 HG3 LYS A 164 45.029 6.659 -2.049 1.00 0.00 H new ATOM 0 HD2 LYS A 164 47.876 7.132 -0.971 1.00 0.00 H new ATOM 0 HD3 LYS A 164 47.451 7.257 -2.667 1.00 0.00 H new ATOM 0 HE2 LYS A 164 45.726 9.065 -2.016 1.00 0.00 H new ATOM 0 HE3 LYS A 164 46.376 9.018 -0.389 1.00 0.00 H new ATOM 0 HZ1 LYS A 164 47.449 10.745 -1.712 1.00 0.00 H new ATOM 0 HZ2 LYS A 164 48.581 9.553 -1.284 1.00 0.00 H new ATOM 0 HZ3 LYS A 164 47.950 9.599 -2.860 1.00 0.00 H new ATOM 432 N GLY A 165 43.766 3.870 2.269 1.00 0.00 N ATOM 433 CA GLY A 165 43.357 3.644 3.665 1.00 0.00 C ATOM 434 C GLY A 165 42.784 2.227 3.837 1.00 0.00 C ATOM 435 O GLY A 165 42.711 1.476 2.861 1.00 0.00 O ATOM 0 H GLY A 165 43.887 3.014 1.727 1.00 0.00 H new ATOM 0 HA2 GLY A 165 44.212 3.779 4.327 1.00 0.00 H new ATOM 0 HA3 GLY A 165 42.609 4.382 3.955 1.00 0.00 H new ATOM 439 N PRO A 166 42.377 1.833 5.051 1.00 0.00 N ATOM 440 CA PRO A 166 41.805 0.458 5.306 1.00 0.00 C ATOM 441 C PRO A 166 40.373 0.312 4.747 1.00 0.00 C ATOM 442 O PRO A 166 39.530 1.189 4.947 1.00 0.00 O ATOM 443 CB PRO A 166 41.846 0.337 6.844 1.00 0.00 C ATOM 444 CG PRO A 166 41.673 1.748 7.331 1.00 0.00 C ATOM 445 CD PRO A 166 42.409 2.637 6.308 1.00 0.00 C ATOM 0 HA PRO A 166 42.365 -0.333 4.806 1.00 0.00 H new ATOM 0 HB2 PRO A 166 41.052 -0.312 7.213 1.00 0.00 H new ATOM 0 HB3 PRO A 166 42.790 -0.089 7.185 1.00 0.00 H new ATOM 0 HG2 PRO A 166 40.618 2.014 7.393 1.00 0.00 H new ATOM 0 HG3 PRO A 166 42.092 1.871 8.330 1.00 0.00 H new ATOM 0 HD2 PRO A 166 41.911 3.598 6.181 1.00 0.00 H new ATOM 0 HD3 PRO A 166 43.431 2.847 6.623 1.00 0.00 H new ATOM 453 N ARG A 167 40.123 -0.816 4.060 1.00 0.00 N ATOM 454 CA ARG A 167 38.812 -1.143 3.453 1.00 0.00 C ATOM 455 C ARG A 167 38.039 -2.076 4.407 1.00 0.00 C ATOM 456 O ARG A 167 38.665 -2.940 5.025 1.00 0.00 O ATOM 457 CB ARG A 167 39.068 -1.830 2.078 1.00 0.00 C ATOM 458 CG ARG A 167 39.813 -0.844 1.109 1.00 0.00 C ATOM 459 CD ARG A 167 40.216 -1.550 -0.211 1.00 0.00 C ATOM 460 NE ARG A 167 41.173 -2.630 0.073 1.00 0.00 N ATOM 461 CZ ARG A 167 41.537 -3.537 -0.848 1.00 0.00 C ATOM 462 NH1 ARG A 167 41.044 -3.491 -2.060 1.00 0.00 N ATOM 463 NH2 ARG A 167 42.391 -4.472 -0.533 1.00 0.00 N ATOM 0 H ARG A 167 40.829 -1.536 3.907 1.00 0.00 H new ATOM 0 HA ARG A 167 38.215 -0.245 3.294 1.00 0.00 H new ATOM 0 HB2 ARG A 167 39.664 -2.732 2.219 1.00 0.00 H new ATOM 0 HB3 ARG A 167 38.121 -2.139 1.636 1.00 0.00 H new ATOM 0 HG2 ARG A 167 39.169 0.007 0.887 1.00 0.00 H new ATOM 0 HG3 ARG A 167 40.703 -0.451 1.600 1.00 0.00 H new ATOM 0 HD2 ARG A 167 39.331 -1.956 -0.702 1.00 0.00 H new ATOM 0 HD3 ARG A 167 40.660 -0.830 -0.898 1.00 0.00 H new ATOM 0 HE ARG A 167 41.577 -2.693 1.008 1.00 0.00 H new ATOM 0 HH11 ARG A 167 40.377 -2.762 -2.312 1.00 0.00 H new ATOM 0 HH12 ARG A 167 41.327 -4.185 -2.752 1.00 0.00 H new ATOM 0 HH21 ARG A 167 42.779 -4.512 0.409 1.00 0.00 H new ATOM 0 HH22 ARG A 167 42.670 -5.163 -1.229 1.00 0.00 H new ATOM 477 N LYS A 168 36.691 -1.912 4.533 1.00 0.00 N ATOM 478 CA LYS A 168 35.882 -2.772 5.445 1.00 0.00 C ATOM 479 C LYS A 168 34.480 -3.072 4.860 1.00 0.00 C ATOM 480 O LYS A 168 33.594 -3.524 5.593 1.00 0.00 O ATOM 481 CB LYS A 168 35.699 -2.100 6.852 1.00 0.00 C ATOM 482 CG LYS A 168 37.057 -1.692 7.530 1.00 0.00 C ATOM 483 CD LYS A 168 37.485 -0.222 7.177 1.00 0.00 C ATOM 484 CE LYS A 168 36.700 0.829 8.015 1.00 0.00 C ATOM 485 NZ LYS A 168 37.095 0.729 9.451 1.00 0.00 N ATOM 0 H LYS A 168 36.152 -1.209 4.027 1.00 0.00 H new ATOM 0 HA LYS A 168 36.434 -3.706 5.552 1.00 0.00 H new ATOM 0 HB2 LYS A 168 35.074 -1.213 6.744 1.00 0.00 H new ATOM 0 HB3 LYS A 168 35.166 -2.788 7.508 1.00 0.00 H new ATOM 0 HG2 LYS A 168 36.964 -1.791 8.612 1.00 0.00 H new ATOM 0 HG3 LYS A 168 37.840 -2.381 7.213 1.00 0.00 H new ATOM 0 HD2 LYS A 168 38.554 -0.103 7.355 1.00 0.00 H new ATOM 0 HD3 LYS A 168 37.316 -0.040 6.116 1.00 0.00 H new ATOM 0 HE2 LYS A 168 36.905 1.832 7.641 1.00 0.00 H new ATOM 0 HE3 LYS A 168 35.628 0.663 7.911 1.00 0.00 H new ATOM 0 HZ1 LYS A 168 36.834 1.606 9.945 1.00 0.00 H new ATOM 0 HZ2 LYS A 168 36.604 -0.075 9.891 1.00 0.00 H new ATOM 0 HZ3 LYS A 168 38.123 0.586 9.519 1.00 0.00 H new ATOM 499 N ARG A 169 34.283 -2.828 3.554 1.00 0.00 N ATOM 500 CA ARG A 169 32.975 -3.083 2.900 1.00 0.00 C ATOM 501 C ARG A 169 32.929 -4.478 2.256 1.00 0.00 C ATOM 502 O ARG A 169 33.858 -4.878 1.552 1.00 0.00 O ATOM 503 CB ARG A 169 32.706 -2.036 1.789 1.00 0.00 C ATOM 504 CG ARG A 169 32.544 -0.603 2.376 1.00 0.00 C ATOM 505 CD ARG A 169 32.314 0.430 1.240 1.00 0.00 C ATOM 506 NE ARG A 169 32.069 1.758 1.819 1.00 0.00 N ATOM 507 CZ ARG A 169 31.923 2.859 1.067 1.00 0.00 C ATOM 508 NH1 ARG A 169 32.003 2.795 -0.238 1.00 0.00 N ATOM 509 NH2 ARG A 169 31.697 3.999 1.648 1.00 0.00 N ATOM 0 H ARG A 169 35.000 -2.458 2.930 1.00 0.00 H new ATOM 0 HA ARG A 169 32.216 -3.015 3.679 1.00 0.00 H new ATOM 0 HB2 ARG A 169 33.528 -2.045 1.073 1.00 0.00 H new ATOM 0 HB3 ARG A 169 31.804 -2.309 1.242 1.00 0.00 H new ATOM 0 HG2 ARG A 169 31.704 -0.581 3.070 1.00 0.00 H new ATOM 0 HG3 ARG A 169 33.434 -0.334 2.945 1.00 0.00 H new ATOM 0 HD2 ARG A 169 33.184 0.464 0.584 1.00 0.00 H new ATOM 0 HD3 ARG A 169 31.465 0.128 0.627 1.00 0.00 H new ATOM 0 HE ARG A 169 32.007 1.846 2.833 1.00 0.00 H new ATOM 0 HH11 ARG A 169 32.178 1.900 -0.695 1.00 0.00 H new ATOM 0 HH12 ARG A 169 31.890 3.640 -0.798 1.00 0.00 H new ATOM 0 HH21 ARG A 169 31.633 4.049 2.665 1.00 0.00 H new ATOM 0 HH22 ARG A 169 31.584 4.844 1.087 1.00 0.00 H new ATOM 523 N LYS A 170 31.826 -5.195 2.501 1.00 0.00 N ATOM 524 CA LYS A 170 31.603 -6.542 1.953 1.00 0.00 C ATOM 525 C LYS A 170 31.631 -6.549 0.411 1.00 0.00 C ATOM 526 O LYS A 170 31.975 -7.559 -0.210 1.00 0.00 O ATOM 527 CB LYS A 170 30.217 -7.061 2.460 1.00 0.00 C ATOM 528 CG LYS A 170 29.042 -6.089 2.088 1.00 0.00 C ATOM 529 CD LYS A 170 27.676 -6.641 2.626 1.00 0.00 C ATOM 530 CE LYS A 170 26.504 -5.684 2.277 1.00 0.00 C ATOM 531 NZ LYS A 170 25.227 -6.278 2.770 1.00 0.00 N ATOM 0 H LYS A 170 31.061 -4.859 3.085 1.00 0.00 H new ATOM 0 HA LYS A 170 32.408 -7.193 2.294 1.00 0.00 H new ATOM 0 HB2 LYS A 170 30.021 -8.044 2.032 1.00 0.00 H new ATOM 0 HB3 LYS A 170 30.253 -7.186 3.542 1.00 0.00 H new ATOM 0 HG2 LYS A 170 29.233 -5.102 2.509 1.00 0.00 H new ATOM 0 HG3 LYS A 170 28.991 -5.969 1.006 1.00 0.00 H new ATOM 0 HD2 LYS A 170 27.485 -7.625 2.198 1.00 0.00 H new ATOM 0 HD3 LYS A 170 27.734 -6.770 3.707 1.00 0.00 H new ATOM 0 HE2 LYS A 170 26.666 -4.708 2.734 1.00 0.00 H new ATOM 0 HE3 LYS A 170 26.455 -5.527 1.200 1.00 0.00 H new ATOM 0 HZ1 LYS A 170 24.437 -5.642 2.540 1.00 0.00 H new ATOM 0 HZ2 LYS A 170 25.074 -7.200 2.314 1.00 0.00 H new ATOM 0 HZ3 LYS A 170 25.279 -6.406 3.801 1.00 0.00 H new ATOM 545 N ALA A 171 31.216 -5.419 -0.186 1.00 0.00 N ATOM 546 CA ALA A 171 31.132 -5.276 -1.654 1.00 0.00 C ATOM 547 C ALA A 171 32.510 -5.037 -2.289 1.00 0.00 C ATOM 548 O ALA A 171 32.621 -4.987 -3.517 1.00 0.00 O ATOM 549 CB ALA A 171 30.166 -4.120 -2.006 1.00 0.00 C ATOM 0 H ALA A 171 30.931 -4.585 0.327 1.00 0.00 H new ATOM 0 HA ALA A 171 30.750 -6.211 -2.063 1.00 0.00 H new ATOM 0 HB1 ALA A 171 30.104 -4.015 -3.089 1.00 0.00 H new ATOM 0 HB2 ALA A 171 29.176 -4.338 -1.606 1.00 0.00 H new ATOM 0 HB3 ALA A 171 30.536 -3.191 -1.572 1.00 0.00 H new ATOM 555 N ASP A 172 33.548 -4.921 -1.452 1.00 0.00 N ATOM 556 CA ASP A 172 34.936 -4.719 -1.915 1.00 0.00 C ATOM 557 C ASP A 172 35.617 -6.079 -2.124 1.00 0.00 C ATOM 558 O ASP A 172 36.805 -6.143 -2.447 1.00 0.00 O ATOM 559 CB ASP A 172 35.720 -3.876 -0.884 1.00 0.00 C ATOM 560 CG ASP A 172 37.031 -3.358 -1.494 1.00 0.00 C ATOM 561 OD1 ASP A 172 38.021 -4.069 -1.419 1.00 0.00 O ATOM 562 OD2 ASP A 172 37.022 -2.261 -2.032 1.00 0.00 O ATOM 0 H ASP A 172 33.455 -4.964 -0.437 1.00 0.00 H new ATOM 0 HA ASP A 172 34.923 -4.183 -2.864 1.00 0.00 H new ATOM 0 HB2 ASP A 172 35.109 -3.036 -0.554 1.00 0.00 H new ATOM 0 HB3 ASP A 172 35.936 -4.479 -0.002 1.00 0.00 H new ATOM 567 N ALA A 173 34.832 -7.152 -1.947 1.00 0.00 N ATOM 568 CA ALA A 173 35.316 -8.531 -2.122 1.00 0.00 C ATOM 569 C ALA A 173 34.990 -9.006 -3.547 1.00 0.00 C ATOM 570 O ALA A 173 33.864 -8.842 -4.020 1.00 0.00 O ATOM 571 CB ALA A 173 34.658 -9.455 -1.070 1.00 0.00 C ATOM 0 H ALA A 173 33.849 -7.090 -1.680 1.00 0.00 H new ATOM 0 HA ALA A 173 36.396 -8.565 -1.979 1.00 0.00 H new ATOM 0 HB1 ALA A 173 35.020 -10.474 -1.204 1.00 0.00 H new ATOM 0 HB2 ALA A 173 34.915 -9.108 -0.069 1.00 0.00 H new ATOM 0 HB3 ALA A 173 33.575 -9.435 -1.194 1.00 0.00 H new ATOM 577 N SER A 174 35.995 -9.592 -4.221 1.00 0.00 N ATOM 578 CA SER A 174 35.841 -10.095 -5.599 1.00 0.00 C ATOM 579 C SER A 174 34.938 -11.337 -5.628 1.00 0.00 C ATOM 580 O SER A 174 34.662 -11.873 -4.566 1.00 0.00 O ATOM 581 CB SER A 174 37.232 -10.442 -6.175 1.00 0.00 C ATOM 582 OG SER A 174 37.793 -11.518 -5.433 1.00 0.00 O ATOM 583 OXT SER A 174 34.538 -11.730 -6.712 1.00 0.00 O ATOM 0 H SER A 174 36.928 -9.730 -3.832 1.00 0.00 H new ATOM 0 HA SER A 174 35.374 -9.320 -6.207 1.00 0.00 H new ATOM 0 HB2 SER A 174 37.145 -10.717 -7.226 1.00 0.00 H new ATOM 0 HB3 SER A 174 37.886 -9.571 -6.126 1.00 0.00 H new ATOM 0 HG SER A 174 38.675 -11.742 -5.797 1.00 0.00 H new TER 589 SER A 174 HETATM 590 P1 C2E A 501 28.622 -1.451 10.840 1.00 23.22 P HETATM 591 O2P C2E A 501 28.274 -2.041 12.154 1.00 27.82 O HETATM 592 O1P C2E A 501 28.454 0.003 10.622 1.00 26.89 O HETATM 593 O5' C2E A 501 27.799 -2.234 9.682 1.00 25.51 O HETATM 594 C5' C2E A 501 27.287 -3.568 9.877 1.00 25.60 C HETATM 595 C4' C2E A 501 26.781 -4.189 8.554 1.00 25.10 C HETATM 596 O4' C2E A 501 25.548 -3.561 8.182 1.00 25.66 O HETATM 597 C3' C2E A 501 27.744 -4.050 7.362 1.00 22.74 C HETATM 598 O3' C2E A 501 28.488 -5.271 7.180 1.00 22.93 O HETATM 599 C2' C2E A 501 26.812 -3.857 6.167 1.00 24.36 C HETATM 600 O2' C2E A 501 26.484 -5.112 5.559 1.00 24.56 O HETATM 601 C1' C2E A 501 25.566 -3.211 6.787 1.00 23.97 C HETATM 602 N9 C2E A 501 25.501 -1.720 6.692 1.00 24.40 N HETATM 603 C8 C2E A 501 25.313 -0.800 7.695 1.00 24.12 C HETATM 604 N7 C2E A 501 25.260 0.438 7.279 1.00 22.11 N HETATM 605 C5 C2E A 501 25.425 0.335 5.905 1.00 22.56 C HETATM 606 C6 C2E A 501 25.458 1.355 4.922 1.00 23.36 C HETATM 607 O6 C2E A 501 25.339 2.566 5.083 1.00 24.78 O HETATM 608 N1 C2E A 501 25.650 0.831 3.649 1.00 24.35 N HETATM 609 C2 C2E A 501 25.793 -0.516 3.361 1.00 23.45 C HETATM 610 N2 C2E A 501 25.975 -0.845 2.079 1.00 23.60 N HETATM 611 N3 C2E A 501 25.759 -1.472 4.289 1.00 24.32 N HETATM 612 C4 C2E A 501 25.574 -0.975 5.533 1.00 23.20 C HETATM 613 P11 C2E A 501 29.615 -5.769 8.231 1.00 23.09 P HETATM 614 O21 C2E A 501 28.925 -6.420 9.368 1.00 22.92 O HETATM 615 O11 C2E A 501 30.650 -6.514 7.478 1.00 20.03 O HETATM 616 O5A C2E A 501 30.265 -4.386 8.769 1.00 23.30 O HETATM 617 C5A C2E A 501 31.320 -3.705 8.065 1.00 24.34 C HETATM 618 C4A C2E A 501 31.834 -2.499 8.873 1.00 26.03 C HETATM 619 O4A C2E A 501 32.816 -1.786 8.118 1.00 25.66 O HETATM 620 C3A C2E A 501 30.770 -1.462 9.253 1.00 25.65 C HETATM 621 O3A C2E A 501 30.157 -1.837 10.502 1.00 26.70 O HETATM 622 C2A C2E A 501 31.599 -0.185 9.441 1.00 24.34 C HETATM 623 O2A C2E A 501 32.052 -0.061 10.796 1.00 23.55 O HETATM 624 C1A C2E A 501 32.786 -0.390 8.486 1.00 24.17 C HETATM 625 N91 C2E A 501 32.735 0.431 7.233 1.00 24.45 N HETATM 626 C81 C2E A 501 32.495 0.028 5.938 1.00 24.20 C HETATM 627 N71 C2E A 501 32.491 0.997 5.071 1.00 23.82 N HETATM 628 C51 C2E A 501 32.750 2.128 5.824 1.00 23.12 C HETATM 629 C61 C2E A 501 32.869 3.477 5.406 1.00 24.00 C HETATM 630 O61 C2E A 501 32.763 3.935 4.272 1.00 23.59 O HETATM 631 N11 C2E A 501 33.144 4.320 6.469 1.00 25.00 N HETATM 632 C21 C2E A 501 33.283 3.913 7.789 1.00 24.24 C HETATM 633 N21 C2E A 501 33.546 4.863 8.691 1.00 25.28 N HETATM 634 N31 C2E A 501 33.168 2.638 8.181 1.00 22.58 N HETATM 635 C41 C2E A 501 32.904 1.803 7.149 1.00 23.31 C HETATM 0 HO2A C2E A 501 31.459 -0.570 11.387 1.00 23.55 H new HETATM 0 HO2' C2E A 501 27.078 -5.809 5.907 1.00 24.56 H new HETATM 0 HN24 C2E A 501 33.636 5.835 8.396 1.00 25.28 H new HETATM 0 HN23 C2E A 501 33.657 4.616 9.674 1.00 25.28 H new HETATM 0 HN22 C2E A 501 26.086 -1.824 1.814 1.00 23.60 H new HETATM 0 HN21 C2E A 501 26.003 -0.117 1.365 1.00 23.60 H new HETATM 0 HN11 C2E A 501 33.253 5.314 6.267 1.00 25.00 H new HETATM 0 H512 C2E A 501 32.141 -4.397 7.875 1.00 24.34 H new HETATM 0 H511 C2E A 501 30.956 -3.368 7.094 1.00 24.34 H new HETATM 0 H5'2 C2E A 501 28.069 -4.199 10.299 1.00 25.60 H new HETATM 0 H5'1 C2E A 501 26.473 -3.542 10.601 1.00 25.60 H new HETATM 0 HN1 C2E A 501 25.688 1.487 2.869 1.00 24.35 H new HETATM 0 H81 C2E A 501 32.323 -1.013 5.664 1.00 24.20 H new HETATM 0 H8 C2E A 501 25.217 -1.078 8.745 1.00 24.12 H new HETATM 0 H4A C2E A 501 32.221 -2.945 9.789 1.00 26.03 H new HETATM 0 H4' C2E A 501 26.675 -5.254 8.759 1.00 25.10 H new HETATM 0 H3A C2E A 501 29.970 -1.359 8.520 1.00 25.65 H new HETATM 0 H3' C2E A 501 28.462 -3.241 7.495 1.00 22.74 H new HETATM 0 H2A C2E A 501 31.033 0.723 9.233 1.00 24.34 H new HETATM 0 H2' C2E A 501 27.259 -3.254 5.377 1.00 24.36 H new HETATM 0 H1A C2E A 501 33.679 -0.065 9.020 1.00 24.17 H new HETATM 0 H1' C2E A 501 24.714 -3.586 6.221 1.00 23.97 H new HETATM 658 P1 C2E A 502 32.283 9.939 1.697 1.00 23.09 P HETATM 659 O2P C2E A 502 33.277 11.001 1.967 1.00 22.92 O HETATM 660 O1P C2E A 502 31.120 10.230 0.826 1.00 20.03 O HETATM 661 O5' C2E A 502 31.733 9.396 3.123 1.00 23.30 O HETATM 662 C5' C2E A 502 30.482 8.689 3.249 1.00 24.34 C HETATM 663 C4' C2E A 502 30.171 8.362 4.725 1.00 26.03 C HETATM 664 O4' C2E A 502 29.070 7.447 4.814 1.00 25.66 O HETATM 665 C3' C2E A 502 31.312 7.696 5.499 1.00 25.65 C HETATM 666 O3' C2E A 502 32.191 8.706 6.032 1.00 26.70 O HETATM 667 C2' C2E A 502 30.573 6.987 6.638 1.00 24.34 C HETATM 668 O2' C2E A 502 30.413 7.853 7.767 1.00 23.55 O HETATM 669 C1' C2E A 502 29.208 6.647 6.013 1.00 24.17 C HETATM 670 N9 C2E A 502 29.021 5.202 5.651 1.00 24.45 N HETATM 671 C8 C2E A 502 28.830 4.628 4.413 1.00 24.20 C HETATM 672 N7 C2E A 502 28.668 3.335 4.444 1.00 23.82 N HETATM 673 C5 C2E A 502 28.752 3.013 5.793 1.00 23.12 C HETATM 674 C6 C2E A 502 28.645 1.747 6.434 1.00 24.00 C HETATM 675 O6 C2E A 502 28.447 0.648 5.922 1.00 23.59 O HETATM 676 N1 C2E A 502 28.788 1.854 7.810 1.00 25.00 N HETATM 677 C2 C2E A 502 29.008 3.042 8.491 1.00 24.24 C HETATM 678 N2 C2E A 502 29.126 2.965 9.820 1.00 25.28 N HETATM 679 N3 C2E A 502 29.105 4.231 7.888 1.00 22.58 N HETATM 680 C4 C2E A 502 28.967 4.142 6.543 1.00 23.31 C HETATM 681 P11 C2E A 502 33.767 8.423 6.264 1.00 23.22 P HETATM 682 O21 C2E A 502 34.415 9.698 6.653 1.00 27.82 O HETATM 683 O11 C2E A 502 33.897 7.238 7.141 1.00 26.89 O HETATM 684 O5A C2E A 502 34.277 8.009 4.780 1.00 25.51 O HETATM 685 C5A C2E A 502 34.929 8.949 3.901 1.00 25.60 C HETATM 686 C4A C2E A 502 35.065 8.392 2.465 1.00 25.10 C HETATM 687 O4A C2E A 502 36.103 7.403 2.437 1.00 25.66 O HETATM 688 C3A C2E A 502 33.794 7.729 1.906 1.00 22.74 C HETATM 689 O3A C2E A 502 33.069 8.663 1.079 1.00 22.93 O HETATM 690 C2A C2E A 502 34.339 6.599 1.032 1.00 24.36 C HETATM 691 O2A C2E A 502 34.536 7.034 -0.320 1.00 24.56 O HETATM 692 C1A C2E A 502 35.677 6.252 1.686 1.00 23.97 C HETATM 693 N91 C2E A 502 35.647 5.084 2.616 1.00 24.40 N HETATM 694 C81 C2E A 502 35.617 5.076 3.992 1.00 24.12 C HETATM 695 N71 C2E A 502 35.632 3.884 4.516 1.00 22.11 N HETATM 696 C51 C2E A 502 35.671 3.031 3.419 1.00 22.56 C HETATM 697 C61 C2E A 502 35.702 1.610 3.378 1.00 23.36 C HETATM 698 O61 C2E A 502 35.678 0.822 4.317 1.00 24.78 O HETATM 699 N11 C2E A 502 35.743 1.134 2.075 1.00 24.35 N HETATM 700 C21 C2E A 502 35.750 1.933 0.942 1.00 23.45 C HETATM 701 N21 C2E A 502 35.792 1.306 -0.238 1.00 23.60 N HETATM 702 N31 C2E A 502 35.719 3.271 0.983 1.00 24.32 N HETATM 703 C41 C2E A 502 35.681 3.748 2.252 1.00 23.20 C HETATM 0 HO2A C2E A 502 34.108 7.906 -0.449 1.00 24.56 H new HETATM 0 HO2' C2E A 502 31.090 8.561 7.735 1.00 23.55 H new HETATM 0 HN24 C2E A 502 35.817 0.287 -0.273 1.00 23.60 H new HETATM 0 HN23 C2E A 502 35.799 1.847 -1.103 1.00 23.60 H new HETATM 0 HN22 C2E A 502 29.289 3.810 10.367 1.00 25.28 H new HETATM 0 HN21 C2E A 502 29.054 2.061 10.287 1.00 25.28 H new HETATM 0 HN11 C2E A 502 35.770 0.123 1.941 1.00 24.35 H new HETATM 0 H512 C2E A 502 34.361 9.879 3.878 1.00 25.60 H new HETATM 0 H511 C2E A 502 35.917 9.188 4.293 1.00 25.60 H new HETATM 0 H5'2 C2E A 502 29.677 9.292 2.830 1.00 24.34 H new HETATM 0 H5'1 C2E A 502 30.523 7.766 2.670 1.00 24.34 H new HETATM 0 HN1 C2E A 502 28.727 0.997 8.360 1.00 25.00 H new HETATM 0 H81 C2E A 502 35.584 5.987 4.590 1.00 24.12 H new HETATM 0 H8 C2E A 502 28.816 5.205 3.488 1.00 24.20 H new HETATM 0 H4A C2E A 502 35.282 9.260 1.842 1.00 25.10 H new HETATM 0 H4' C2E A 502 29.968 9.338 5.166 1.00 26.03 H new HETATM 0 H3A C2E A 502 33.114 7.390 2.687 1.00 22.74 H new HETATM 0 H3' C2E A 502 31.926 7.028 4.895 1.00 25.65 H new HETATM 0 H2A C2E A 502 33.657 5.751 0.973 1.00 24.36 H new HETATM 0 H2' C2E A 502 31.106 6.112 7.011 1.00 24.34 H new HETATM 0 H1A C2E A 502 36.353 5.976 0.877 1.00 23.97 H new HETATM 0 H1' C2E A 502 28.450 6.862 6.766 1.00 24.17 H new