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 -29:sc= 0.0715 USER MOD Single : A 140 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 150 TYR OH : rot -4:sc= 0.0608 USER MOD Single : A 159 ASN :FLIP amide:sc= -0.396 F(o=-1.9,f=-0.4) USER MOD Single : A 160 SER OG : rot 19:sc= 0.0236 USER MOD Single : A 163 TYR OH : rot 180:sc= 0 USER MOD Single : A 164 LYS NZ :NH3+ 166:sc= -0.0227 (180deg=-0.281) USER MOD Single : A 168 LYS NZ :NH3+ 159:sc= -0.051 (180deg=-0.495) USER MOD Single : A 170 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 174 SER OG : rot 180:sc= 0 USER MOD Single : A 501 C2E O2' : rot -13:sc= 0.366 USER MOD Single : A 501 C2E O2A : rot -14:sc= 0.357 USER MOD Single : A 502 C2E O2' : rot -16:sc= 0.326 USER MOD Single : A 502 C2E O2A : rot -7:sc= 0.346 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 139 9.799 12.194 -2.847 1.00 0.00 N ATOM 2 CA SER A 139 10.433 11.745 -1.575 1.00 0.00 C ATOM 3 C SER A 139 10.189 10.243 -1.392 1.00 0.00 C ATOM 4 O SER A 139 9.398 9.641 -2.121 1.00 0.00 O ATOM 5 CB SER A 139 9.826 12.541 -0.400 1.00 0.00 C ATOM 6 OG SER A 139 8.433 12.265 -0.315 1.00 0.00 O ATOM 0 HA SER A 139 11.508 11.924 -1.605 1.00 0.00 H new ATOM 0 HB2 SER A 139 10.320 12.268 0.533 1.00 0.00 H new ATOM 0 HB3 SER A 139 9.989 13.609 -0.547 1.00 0.00 H new ATOM 0 HG SER A 139 8.086 12.054 -1.207 1.00 0.00 H new ATOM 14 N LYS A 140 10.883 9.653 -0.408 1.00 0.00 N ATOM 15 CA LYS A 140 10.768 8.215 -0.094 1.00 0.00 C ATOM 16 C LYS A 140 11.076 7.339 -1.341 1.00 0.00 C ATOM 17 O LYS A 140 10.216 6.575 -1.792 1.00 0.00 O ATOM 18 CB LYS A 140 9.343 7.915 0.483 1.00 0.00 C ATOM 19 CG LYS A 140 9.273 6.510 1.179 1.00 0.00 C ATOM 20 CD LYS A 140 7.849 6.261 1.782 1.00 0.00 C ATOM 21 CE LYS A 140 7.762 4.875 2.475 1.00 0.00 C ATOM 22 NZ LYS A 140 6.395 4.700 3.044 1.00 0.00 N ATOM 0 H LYS A 140 11.538 10.154 0.192 1.00 0.00 H new ATOM 0 HA LYS A 140 11.510 7.959 0.662 1.00 0.00 H new ATOM 0 HB2 LYS A 140 9.073 8.689 1.201 1.00 0.00 H new ATOM 0 HB3 LYS A 140 8.610 7.957 -0.322 1.00 0.00 H new ATOM 0 HG2 LYS A 140 9.509 5.729 0.457 1.00 0.00 H new ATOM 0 HG3 LYS A 140 10.023 6.452 1.968 1.00 0.00 H new ATOM 0 HD2 LYS A 140 7.615 7.045 2.502 1.00 0.00 H new ATOM 0 HD3 LYS A 140 7.102 6.322 0.991 1.00 0.00 H new ATOM 0 HE2 LYS A 140 7.975 4.082 1.758 1.00 0.00 H new ATOM 0 HE3 LYS A 140 8.510 4.801 3.264 1.00 0.00 H new ATOM 0 HZ1 LYS A 140 6.329 3.773 3.510 1.00 0.00 H new ATOM 0 HZ2 LYS A 140 6.210 5.451 3.739 1.00 0.00 H new ATOM 0 HZ3 LYS A 140 5.691 4.754 2.280 1.00 0.00 H new ATOM 36 N PRO A 141 12.284 7.429 -1.906 1.00 0.00 N ATOM 37 CA PRO A 141 12.679 6.618 -3.106 1.00 0.00 C ATOM 38 C PRO A 141 13.266 5.263 -2.689 1.00 0.00 C ATOM 39 O PRO A 141 13.278 4.925 -1.503 1.00 0.00 O ATOM 40 CB PRO A 141 13.743 7.522 -3.763 1.00 0.00 C ATOM 41 CG PRO A 141 14.479 8.121 -2.592 1.00 0.00 C ATOM 42 CD PRO A 141 13.416 8.307 -1.478 1.00 0.00 C ATOM 0 HA PRO A 141 11.849 6.369 -3.768 1.00 0.00 H new ATOM 0 HB2 PRO A 141 14.412 6.950 -4.406 1.00 0.00 H new ATOM 0 HB3 PRO A 141 13.285 8.292 -4.384 1.00 0.00 H new ATOM 0 HG2 PRO A 141 15.284 7.466 -2.259 1.00 0.00 H new ATOM 0 HG3 PRO A 141 14.934 9.074 -2.862 1.00 0.00 H new ATOM 0 HD2 PRO A 141 13.804 8.011 -0.503 1.00 0.00 H new ATOM 0 HD3 PRO A 141 13.104 9.348 -1.394 1.00 0.00 H new ATOM 50 N ARG A 142 13.758 4.506 -3.681 1.00 0.00 N ATOM 51 CA ARG A 142 14.371 3.185 -3.425 1.00 0.00 C ATOM 52 C ARG A 142 15.681 3.380 -2.609 1.00 0.00 C ATOM 53 O ARG A 142 15.687 4.173 -1.667 1.00 0.00 O ATOM 54 CB ARG A 142 14.577 2.410 -4.768 1.00 0.00 C ATOM 55 CG ARG A 142 15.419 3.236 -5.795 1.00 0.00 C ATOM 56 CD ARG A 142 15.469 2.526 -7.174 1.00 0.00 C ATOM 57 NE ARG A 142 14.114 2.430 -7.745 1.00 0.00 N ATOM 58 CZ ARG A 142 13.889 2.034 -9.009 1.00 0.00 C ATOM 59 NH1 ARG A 142 14.886 1.719 -9.795 1.00 0.00 N ATOM 60 NH2 ARG A 142 12.665 1.966 -9.456 1.00 0.00 N ATOM 0 H ARG A 142 13.746 4.780 -4.664 1.00 0.00 H new ATOM 0 HA ARG A 142 13.707 2.564 -2.823 1.00 0.00 H new ATOM 0 HB2 ARG A 142 15.077 1.463 -4.567 1.00 0.00 H new ATOM 0 HB3 ARG A 142 13.606 2.172 -5.203 1.00 0.00 H new ATOM 0 HG2 ARG A 142 14.986 4.230 -5.909 1.00 0.00 H new ATOM 0 HG3 ARG A 142 16.432 3.371 -5.415 1.00 0.00 H new ATOM 0 HD2 ARG A 142 16.119 3.078 -7.852 1.00 0.00 H new ATOM 0 HD3 ARG A 142 15.897 1.529 -7.063 1.00 0.00 H new ATOM 0 HE ARG A 142 13.316 2.674 -7.158 1.00 0.00 H new ATOM 0 HH11 ARG A 142 15.844 1.773 -9.450 1.00 0.00 H new ATOM 0 HH12 ARG A 142 14.705 1.419 -10.753 1.00 0.00 H new ATOM 0 HH21 ARG A 142 11.885 2.213 -8.847 1.00 0.00 H new ATOM 0 HH22 ARG A 142 12.488 1.666 -10.415 1.00 0.00 H new ATOM 74 N GLU A 143 16.772 2.662 -2.940 1.00 0.00 N ATOM 75 CA GLU A 143 18.053 2.786 -2.195 1.00 0.00 C ATOM 76 C GLU A 143 17.834 2.509 -0.685 1.00 0.00 C ATOM 77 O GLU A 143 18.175 3.352 0.151 1.00 0.00 O ATOM 78 CB GLU A 143 18.661 4.227 -2.373 1.00 0.00 C ATOM 79 CG GLU A 143 18.869 4.580 -3.878 1.00 0.00 C ATOM 80 CD GLU A 143 19.683 5.875 -4.028 1.00 0.00 C ATOM 81 OE1 GLU A 143 20.791 5.915 -3.521 1.00 0.00 O ATOM 82 OE2 GLU A 143 19.188 6.802 -4.654 1.00 0.00 O ATOM 0 H GLU A 143 16.799 1.994 -3.710 1.00 0.00 H new ATOM 0 HA GLU A 143 18.747 2.050 -2.600 1.00 0.00 H new ATOM 0 HB2 GLU A 143 17.999 4.961 -1.915 1.00 0.00 H new ATOM 0 HB3 GLU A 143 19.615 4.287 -1.849 1.00 0.00 H new ATOM 0 HG2 GLU A 143 19.384 3.761 -4.380 1.00 0.00 H new ATOM 0 HG3 GLU A 143 17.901 4.695 -4.366 1.00 0.00 H new ATOM 89 N TRP A 144 17.223 1.357 -0.352 1.00 0.00 N ATOM 90 CA TRP A 144 16.909 1.021 1.061 1.00 0.00 C ATOM 91 C TRP A 144 17.642 -0.235 1.550 1.00 0.00 C ATOM 92 O TRP A 144 17.489 -1.316 0.976 1.00 0.00 O ATOM 93 CB TRP A 144 15.379 0.825 1.217 1.00 0.00 C ATOM 94 CG TRP A 144 14.985 0.869 2.680 1.00 0.00 C ATOM 95 CD1 TRP A 144 14.925 -0.201 3.512 1.00 0.00 C ATOM 96 CD2 TRP A 144 14.610 2.027 3.486 1.00 0.00 C ATOM 97 NE1 TRP A 144 14.523 0.230 4.765 1.00 0.00 N ATOM 98 CE2 TRP A 144 14.314 1.591 4.797 1.00 0.00 C ATOM 99 CE3 TRP A 144 14.494 3.399 3.204 1.00 0.00 C ATOM 100 CZ2 TRP A 144 13.913 2.477 5.796 1.00 0.00 C ATOM 101 CZ3 TRP A 144 14.090 4.301 4.208 1.00 0.00 C ATOM 102 CH2 TRP A 144 13.797 3.841 5.502 1.00 0.00 C ATOM 0 H TRP A 144 16.938 0.648 -1.027 1.00 0.00 H new ATOM 0 HA TRP A 144 17.253 1.853 1.676 1.00 0.00 H new ATOM 0 HB2 TRP A 144 14.849 1.603 0.668 1.00 0.00 H new ATOM 0 HB3 TRP A 144 15.083 -0.130 0.783 1.00 0.00 H new ATOM 0 HD1 TRP A 144 15.153 -1.221 3.241 1.00 0.00 H new ATOM 0 HE1 TRP A 144 14.397 -0.386 5.568 1.00 0.00 H new ATOM 0 HE3 TRP A 144 14.716 3.764 2.212 1.00 0.00 H new ATOM 0 HZ2 TRP A 144 13.693 2.114 6.789 1.00 0.00 H new ATOM 0 HZ3 TRP A 144 14.005 5.353 3.981 1.00 0.00 H new ATOM 0 HH2 TRP A 144 13.484 4.536 6.267 1.00 0.00 H new ATOM 113 N VAL A 145 18.419 -0.062 2.639 1.00 0.00 N ATOM 114 CA VAL A 145 19.179 -1.153 3.270 1.00 0.00 C ATOM 115 C VAL A 145 18.666 -1.351 4.711 1.00 0.00 C ATOM 116 O VAL A 145 18.583 -0.379 5.474 1.00 0.00 O ATOM 117 CB VAL A 145 20.712 -0.805 3.241 1.00 0.00 C ATOM 118 CG1 VAL A 145 21.009 0.535 3.991 1.00 0.00 C ATOM 119 CG2 VAL A 145 21.566 -1.969 3.855 1.00 0.00 C ATOM 0 H VAL A 145 18.535 0.839 3.103 1.00 0.00 H new ATOM 0 HA VAL A 145 19.038 -2.086 2.725 1.00 0.00 H new ATOM 0 HB VAL A 145 20.995 -0.680 2.196 1.00 0.00 H new ATOM 0 HG11 VAL A 145 22.078 0.745 3.951 1.00 0.00 H new ATOM 0 HG12 VAL A 145 20.462 1.348 3.514 1.00 0.00 H new ATOM 0 HG13 VAL A 145 20.695 0.447 5.031 1.00 0.00 H new ATOM 0 HG21 VAL A 145 22.622 -1.702 3.822 1.00 0.00 H new ATOM 0 HG22 VAL A 145 21.265 -2.134 4.890 1.00 0.00 H new ATOM 0 HG23 VAL A 145 21.405 -2.881 3.280 1.00 0.00 H new ATOM 129 N GLU A 146 18.311 -2.597 5.072 1.00 0.00 N ATOM 130 CA GLU A 146 17.802 -2.914 6.424 1.00 0.00 C ATOM 131 C GLU A 146 18.761 -3.879 7.149 1.00 0.00 C ATOM 132 O GLU A 146 18.881 -5.048 6.781 1.00 0.00 O ATOM 133 CB GLU A 146 16.355 -3.505 6.340 1.00 0.00 C ATOM 134 CG GLU A 146 16.258 -4.689 5.328 1.00 0.00 C ATOM 135 CD GLU A 146 14.797 -5.148 5.181 1.00 0.00 C ATOM 136 OE1 GLU A 146 14.027 -4.417 4.577 1.00 0.00 O ATOM 137 OE2 GLU A 146 14.470 -6.215 5.678 1.00 0.00 O ATOM 0 H GLU A 146 18.366 -3.402 4.449 1.00 0.00 H new ATOM 0 HA GLU A 146 17.753 -1.993 7.005 1.00 0.00 H new ATOM 0 HB2 GLU A 146 16.047 -3.848 7.328 1.00 0.00 H new ATOM 0 HB3 GLU A 146 15.660 -2.719 6.044 1.00 0.00 H new ATOM 0 HG2 GLU A 146 16.649 -4.380 4.358 1.00 0.00 H new ATOM 0 HG3 GLU A 146 16.875 -5.520 5.670 1.00 0.00 H new ATOM 144 N ALA A 147 19.433 -3.359 8.192 1.00 0.00 N ATOM 145 CA ALA A 147 20.383 -4.130 9.019 1.00 0.00 C ATOM 146 C ALA A 147 19.942 -4.033 10.487 1.00 0.00 C ATOM 147 O ALA A 147 19.214 -3.110 10.858 1.00 0.00 O ATOM 148 CB ALA A 147 21.810 -3.573 8.831 1.00 0.00 C ATOM 0 H ALA A 147 19.333 -2.388 8.487 1.00 0.00 H new ATOM 0 HA ALA A 147 20.389 -5.177 8.716 1.00 0.00 H new ATOM 0 HB1 ALA A 147 22.507 -4.145 9.443 1.00 0.00 H new ATOM 0 HB2 ALA A 147 22.097 -3.654 7.783 1.00 0.00 H new ATOM 0 HB3 ALA A 147 21.835 -2.526 9.134 1.00 0.00 H new ATOM 154 N VAL A 148 20.343 -5.014 11.308 1.00 0.00 N ATOM 155 CA VAL A 148 19.929 -5.085 12.720 1.00 0.00 C ATOM 156 C VAL A 148 20.251 -3.817 13.530 1.00 0.00 C ATOM 157 O VAL A 148 19.435 -3.404 14.362 1.00 0.00 O ATOM 158 CB VAL A 148 20.618 -6.334 13.383 1.00 0.00 C ATOM 159 CG1 VAL A 148 20.155 -7.649 12.672 1.00 0.00 C ATOM 160 CG2 VAL A 148 22.184 -6.219 13.296 1.00 0.00 C ATOM 0 H VAL A 148 20.957 -5.775 11.018 1.00 0.00 H new ATOM 0 HA VAL A 148 18.843 -5.177 12.732 1.00 0.00 H new ATOM 0 HB VAL A 148 20.323 -6.364 14.432 1.00 0.00 H new ATOM 0 HG11 VAL A 148 20.639 -8.506 13.141 1.00 0.00 H new ATOM 0 HG12 VAL A 148 19.073 -7.750 12.762 1.00 0.00 H new ATOM 0 HG13 VAL A 148 20.429 -7.609 11.618 1.00 0.00 H new ATOM 0 HG21 VAL A 148 22.639 -7.094 13.761 1.00 0.00 H new ATOM 0 HG22 VAL A 148 22.487 -6.164 12.250 1.00 0.00 H new ATOM 0 HG23 VAL A 148 22.512 -5.319 13.817 1.00 0.00 H new ATOM 170 N ALA A 149 21.425 -3.219 13.311 1.00 0.00 N ATOM 171 CA ALA A 149 21.814 -2.015 14.066 1.00 0.00 C ATOM 172 C ALA A 149 21.504 -0.736 13.276 1.00 0.00 C ATOM 173 O ALA A 149 21.303 0.327 13.870 1.00 0.00 O ATOM 174 CB ALA A 149 23.336 -2.084 14.352 1.00 0.00 C ATOM 0 H ALA A 149 22.115 -3.538 12.631 1.00 0.00 H new ATOM 0 HA ALA A 149 21.245 -1.984 14.995 1.00 0.00 H new ATOM 0 HB1 ALA A 149 23.642 -1.199 14.911 1.00 0.00 H new ATOM 0 HB2 ALA A 149 23.556 -2.977 14.937 1.00 0.00 H new ATOM 0 HB3 ALA A 149 23.882 -2.124 13.409 1.00 0.00 H new ATOM 180 N TYR A 150 21.464 -0.863 11.937 1.00 0.00 N ATOM 181 CA TYR A 150 21.172 0.273 11.042 1.00 0.00 C ATOM 182 C TYR A 150 19.899 0.037 10.214 1.00 0.00 C ATOM 183 O TYR A 150 19.794 -0.975 9.521 1.00 0.00 O ATOM 184 CB TYR A 150 22.382 0.553 10.109 1.00 0.00 C ATOM 185 CG TYR A 150 22.182 1.902 9.390 1.00 0.00 C ATOM 186 CD1 TYR A 150 21.756 1.948 8.044 1.00 0.00 C ATOM 187 CD2 TYR A 150 22.401 3.112 10.086 1.00 0.00 C ATOM 188 CE1 TYR A 150 21.558 3.184 7.411 1.00 0.00 C ATOM 189 CE2 TYR A 150 22.201 4.343 9.443 1.00 0.00 C ATOM 190 CZ TYR A 150 21.782 4.377 8.110 1.00 0.00 C ATOM 191 OH TYR A 150 21.584 5.590 7.482 1.00 0.00 O ATOM 0 H TYR A 150 21.631 -1.743 11.450 1.00 0.00 H new ATOM 0 HA TYR A 150 20.997 1.147 11.669 1.00 0.00 H new ATOM 0 HB2 TYR A 150 23.304 0.572 10.689 1.00 0.00 H new ATOM 0 HB3 TYR A 150 22.483 -0.249 9.377 1.00 0.00 H new ATOM 0 HD1 TYR A 150 21.583 1.030 7.502 1.00 0.00 H new ATOM 0 HD2 TYR A 150 22.723 3.089 11.116 1.00 0.00 H new ATOM 0 HE1 TYR A 150 21.232 3.216 6.382 1.00 0.00 H new ATOM 0 HE2 TYR A 150 22.371 5.265 9.979 1.00 0.00 H new ATOM 0 HH TYR A 150 21.359 5.438 6.540 1.00 0.00 H new ATOM 201 N VAL A 151 18.975 1.009 10.242 1.00 0.00 N ATOM 202 CA VAL A 151 17.740 0.955 9.438 1.00 0.00 C ATOM 203 C VAL A 151 17.568 2.336 8.802 1.00 0.00 C ATOM 204 O VAL A 151 17.460 3.334 9.518 1.00 0.00 O ATOM 205 CB VAL A 151 16.498 0.597 10.329 1.00 0.00 C ATOM 206 CG1 VAL A 151 15.211 0.415 9.446 1.00 0.00 C ATOM 207 CG2 VAL A 151 16.776 -0.714 11.136 1.00 0.00 C ATOM 0 H VAL A 151 19.059 1.848 10.816 1.00 0.00 H new ATOM 0 HA VAL A 151 17.812 0.178 8.677 1.00 0.00 H new ATOM 0 HB VAL A 151 16.328 1.419 11.024 1.00 0.00 H new ATOM 0 HG11 VAL A 151 14.363 0.167 10.085 1.00 0.00 H new ATOM 0 HG12 VAL A 151 15.003 1.341 8.910 1.00 0.00 H new ATOM 0 HG13 VAL A 151 15.372 -0.390 8.729 1.00 0.00 H new ATOM 0 HG21 VAL A 151 15.908 -0.954 11.751 1.00 0.00 H new ATOM 0 HG22 VAL A 151 16.968 -1.534 10.444 1.00 0.00 H new ATOM 0 HG23 VAL A 151 17.646 -0.569 11.777 1.00 0.00 H new ATOM 217 N GLY A 152 17.560 2.386 7.461 1.00 0.00 N ATOM 218 CA GLY A 152 17.422 3.656 6.738 1.00 0.00 C ATOM 219 C GLY A 152 18.111 3.581 5.370 1.00 0.00 C ATOM 220 O GLY A 152 18.595 2.514 4.987 1.00 0.00 O ATOM 0 H GLY A 152 17.647 1.566 6.860 1.00 0.00 H new ATOM 0 HA2 GLY A 152 16.366 3.892 6.606 1.00 0.00 H new ATOM 0 HA3 GLY A 152 17.858 4.464 7.326 1.00 0.00 H new ATOM 224 N PRO A 153 18.171 4.686 4.619 1.00 0.00 N ATOM 225 CA PRO A 153 18.832 4.708 3.267 1.00 0.00 C ATOM 226 C PRO A 153 20.358 4.534 3.365 1.00 0.00 C ATOM 227 O PRO A 153 20.965 4.812 4.399 1.00 0.00 O ATOM 228 CB PRO A 153 18.442 6.087 2.684 1.00 0.00 C ATOM 229 CG PRO A 153 18.203 6.953 3.886 1.00 0.00 C ATOM 230 CD PRO A 153 17.613 6.022 4.960 1.00 0.00 C ATOM 0 HA PRO A 153 18.507 3.882 2.634 1.00 0.00 H new ATOM 0 HB2 PRO A 153 19.236 6.491 2.056 1.00 0.00 H new ATOM 0 HB3 PRO A 153 17.549 6.016 2.063 1.00 0.00 H new ATOM 0 HG2 PRO A 153 19.131 7.409 4.230 1.00 0.00 H new ATOM 0 HG3 PRO A 153 17.516 7.766 3.652 1.00 0.00 H new ATOM 0 HD2 PRO A 153 17.905 6.333 5.963 1.00 0.00 H new ATOM 0 HD3 PRO A 153 16.523 6.019 4.932 1.00 0.00 H new ATOM 238 N ASP A 154 20.945 4.059 2.263 1.00 0.00 N ATOM 239 CA ASP A 154 22.388 3.802 2.151 1.00 0.00 C ATOM 240 C ASP A 154 23.210 5.094 2.256 1.00 0.00 C ATOM 241 O ASP A 154 23.004 6.038 1.491 1.00 0.00 O ATOM 242 CB ASP A 154 22.641 3.117 0.787 1.00 0.00 C ATOM 243 CG ASP A 154 24.099 2.715 0.578 1.00 0.00 C ATOM 244 OD1 ASP A 154 24.380 2.116 -0.448 1.00 0.00 O ATOM 245 OD2 ASP A 154 24.906 2.997 1.439 1.00 0.00 O ATOM 0 H ASP A 154 20.428 3.839 1.412 1.00 0.00 H new ATOM 0 HA ASP A 154 22.704 3.161 2.974 1.00 0.00 H new ATOM 0 HB2 ASP A 154 22.012 2.230 0.711 1.00 0.00 H new ATOM 0 HB3 ASP A 154 22.339 3.792 -0.013 1.00 0.00 H new ATOM 250 N ARG A 155 24.134 5.106 3.218 1.00 0.00 N ATOM 251 CA ARG A 155 25.010 6.264 3.464 1.00 0.00 C ATOM 252 C ARG A 155 26.126 6.345 2.398 1.00 0.00 C ATOM 253 O ARG A 155 26.944 7.270 2.423 1.00 0.00 O ATOM 254 CB ARG A 155 25.616 6.154 4.897 1.00 0.00 C ATOM 255 CG ARG A 155 24.502 6.293 5.988 1.00 0.00 C ATOM 256 CD ARG A 155 25.079 6.088 7.420 1.00 0.00 C ATOM 257 NE ARG A 155 25.330 4.656 7.694 1.00 0.00 N ATOM 258 CZ ARG A 155 25.837 4.235 8.864 1.00 0.00 C ATOM 259 NH1 ARG A 155 26.251 5.096 9.758 1.00 0.00 N ATOM 260 NH2 ARG A 155 25.928 2.960 9.104 1.00 0.00 N ATOM 0 H ARG A 155 24.300 4.321 3.848 1.00 0.00 H new ATOM 0 HA ARG A 155 24.423 7.180 3.394 1.00 0.00 H new ATOM 0 HB2 ARG A 155 26.123 5.195 5.009 1.00 0.00 H new ATOM 0 HB3 ARG A 155 26.368 6.930 5.039 1.00 0.00 H new ATOM 0 HG2 ARG A 155 24.042 7.279 5.917 1.00 0.00 H new ATOM 0 HG3 ARG A 155 23.716 5.561 5.803 1.00 0.00 H new ATOM 0 HD2 ARG A 155 26.007 6.650 7.525 1.00 0.00 H new ATOM 0 HD3 ARG A 155 24.381 6.485 8.157 1.00 0.00 H new ATOM 0 HE ARG A 155 25.112 3.968 6.973 1.00 0.00 H new ATOM 0 HH11 ARG A 155 26.190 6.096 9.569 1.00 0.00 H new ATOM 0 HH12 ARG A 155 26.635 4.767 10.644 1.00 0.00 H new ATOM 0 HH21 ARG A 155 25.615 2.286 8.405 1.00 0.00 H new ATOM 0 HH22 ARG A 155 26.312 2.634 9.991 1.00 0.00 H new ATOM 274 N ARG A 156 26.135 5.375 1.465 1.00 0.00 N ATOM 275 CA ARG A 156 27.134 5.317 0.369 1.00 0.00 C ATOM 276 C ARG A 156 26.581 6.020 -0.883 1.00 0.00 C ATOM 277 O ARG A 156 25.420 5.824 -1.248 1.00 0.00 O ATOM 278 CB ARG A 156 27.469 3.830 0.039 1.00 0.00 C ATOM 279 CG ARG A 156 27.997 3.097 1.320 1.00 0.00 C ATOM 280 CD ARG A 156 28.239 1.587 1.063 1.00 0.00 C ATOM 281 NE ARG A 156 28.505 0.912 2.345 1.00 0.00 N ATOM 282 CZ ARG A 156 28.745 -0.401 2.437 1.00 0.00 C ATOM 283 NH1 ARG A 156 28.874 -1.134 1.363 1.00 0.00 N ATOM 284 NH2 ARG A 156 28.856 -0.946 3.616 1.00 0.00 N ATOM 0 H ARG A 156 25.458 4.613 1.445 1.00 0.00 H new ATOM 0 HA ARG A 156 28.044 5.826 0.688 1.00 0.00 H new ATOM 0 HB2 ARG A 156 26.580 3.324 -0.338 1.00 0.00 H new ATOM 0 HB3 ARG A 156 28.220 3.785 -0.750 1.00 0.00 H new ATOM 0 HG2 ARG A 156 28.926 3.563 1.648 1.00 0.00 H new ATOM 0 HG3 ARG A 156 27.277 3.217 2.130 1.00 0.00 H new ATOM 0 HD2 ARG A 156 27.368 1.144 0.580 1.00 0.00 H new ATOM 0 HD3 ARG A 156 29.082 1.452 0.386 1.00 0.00 H new ATOM 0 HE ARG A 156 28.506 1.469 3.199 1.00 0.00 H new ATOM 0 HH11 ARG A 156 28.792 -0.706 0.441 1.00 0.00 H new ATOM 0 HH12 ARG A 156 29.057 -2.134 1.447 1.00 0.00 H new ATOM 0 HH21 ARG A 156 28.760 -0.373 4.454 1.00 0.00 H new ATOM 0 HH22 ARG A 156 29.039 -1.946 3.700 1.00 0.00 H new ATOM 298 N ARG A 157 27.423 6.853 -1.516 1.00 0.00 N ATOM 299 CA ARG A 157 27.043 7.616 -2.712 1.00 0.00 C ATOM 300 C ARG A 157 28.298 7.955 -3.538 1.00 0.00 C ATOM 301 O ARG A 157 28.192 8.303 -4.718 1.00 0.00 O ATOM 302 CB ARG A 157 26.302 8.911 -2.257 1.00 0.00 C ATOM 303 CG ARG A 157 25.688 9.698 -3.461 1.00 0.00 C ATOM 304 CD ARG A 157 24.822 10.885 -2.952 1.00 0.00 C ATOM 305 NE ARG A 157 23.689 10.380 -2.156 1.00 0.00 N ATOM 306 CZ ARG A 157 22.860 11.193 -1.481 1.00 0.00 C ATOM 307 NH1 ARG A 157 23.044 12.487 -1.489 1.00 0.00 N ATOM 308 NH2 ARG A 157 21.865 10.684 -0.805 1.00 0.00 N ATOM 0 H ARG A 157 28.383 7.015 -1.213 1.00 0.00 H new ATOM 0 HA ARG A 157 26.379 7.027 -3.344 1.00 0.00 H new ATOM 0 HB2 ARG A 157 25.510 8.646 -1.557 1.00 0.00 H new ATOM 0 HB3 ARG A 157 26.998 9.556 -1.721 1.00 0.00 H new ATOM 0 HG2 ARG A 157 26.485 10.071 -4.103 1.00 0.00 H new ATOM 0 HG3 ARG A 157 25.078 9.029 -4.067 1.00 0.00 H new ATOM 0 HD2 ARG A 157 25.431 11.557 -2.347 1.00 0.00 H new ATOM 0 HD3 ARG A 157 24.453 11.465 -3.798 1.00 0.00 H new ATOM 0 HE ARG A 157 23.528 9.374 -2.116 1.00 0.00 H new ATOM 0 HH11 ARG A 157 23.823 12.888 -2.011 1.00 0.00 H new ATOM 0 HH12 ARG A 157 22.409 13.096 -0.973 1.00 0.00 H new ATOM 0 HH21 ARG A 157 21.721 9.674 -0.792 1.00 0.00 H new ATOM 0 HH22 ARG A 157 21.232 11.296 -0.290 1.00 0.00 H new ATOM 322 N PHE A 158 29.479 7.801 -2.920 1.00 0.00 N ATOM 323 CA PHE A 158 30.778 8.035 -3.582 1.00 0.00 C ATOM 324 C PHE A 158 31.530 6.699 -3.675 1.00 0.00 C ATOM 325 O PHE A 158 31.392 5.871 -2.771 1.00 0.00 O ATOM 326 CB PHE A 158 31.604 9.057 -2.751 1.00 0.00 C ATOM 327 CG PHE A 158 32.614 9.803 -3.643 1.00 0.00 C ATOM 328 CD1 PHE A 158 33.996 9.509 -3.577 1.00 0.00 C ATOM 329 CD2 PHE A 158 32.160 10.797 -4.536 1.00 0.00 C ATOM 330 CE1 PHE A 158 34.903 10.201 -4.393 1.00 0.00 C ATOM 331 CE2 PHE A 158 33.074 11.485 -5.351 1.00 0.00 C ATOM 332 CZ PHE A 158 34.444 11.188 -5.279 1.00 0.00 C ATOM 0 H PHE A 158 29.564 7.510 -1.946 1.00 0.00 H new ATOM 0 HA PHE A 158 30.625 8.438 -4.583 1.00 0.00 H new ATOM 0 HB2 PHE A 158 30.933 9.773 -2.277 1.00 0.00 H new ATOM 0 HB3 PHE A 158 32.133 8.538 -1.951 1.00 0.00 H new ATOM 0 HD1 PHE A 158 34.354 8.750 -2.897 1.00 0.00 H new ATOM 0 HD2 PHE A 158 31.107 11.029 -4.593 1.00 0.00 H new ATOM 0 HE1 PHE A 158 35.957 9.974 -4.339 1.00 0.00 H new ATOM 0 HE2 PHE A 158 32.722 12.244 -6.034 1.00 0.00 H new ATOM 0 HZ PHE A 158 35.145 11.719 -5.906 1.00 0.00 H new ATOM 342 N ASN A 159 32.347 6.493 -4.733 1.00 0.00 N ATOM 343 CA ASN A 159 33.138 5.257 -4.878 1.00 0.00 C ATOM 344 C ASN A 159 34.536 5.670 -5.363 1.00 0.00 C ATOM 345 O ASN A 159 34.663 6.214 -6.464 1.00 0.00 O ATOM 346 CB ASN A 159 32.438 4.304 -5.880 1.00 0.00 C ATOM 347 CG ASN A 159 33.242 3.012 -6.062 1.00 0.00 C ATOM 348 OD1 ASN A 159 34.421 3.076 -6.607 1.00 0.00 O flip ATOM 349 ND2 ASN A 159 32.781 1.927 -5.703 1.00 0.00 N flip ATOM 0 H ASN A 159 32.473 7.163 -5.492 1.00 0.00 H new ATOM 0 HA ASN A 159 33.223 4.719 -3.934 1.00 0.00 H new ATOM 0 HB2 ASN A 159 31.436 4.066 -5.522 1.00 0.00 H new ATOM 0 HB3 ASN A 159 32.322 4.803 -6.842 1.00 0.00 H new ATOM 0 HD21 ASN A 159 31.856 1.882 -5.276 1.00 0.00 H new ATOM 0 HD22 ASN A 159 33.325 1.074 -5.833 1.00 0.00 H new ATOM 356 N SER A 160 35.574 5.415 -4.545 1.00 0.00 N ATOM 357 CA SER A 160 36.965 5.768 -4.893 1.00 0.00 C ATOM 358 C SER A 160 37.781 4.498 -5.196 1.00 0.00 C ATOM 359 O SER A 160 38.145 3.796 -4.247 1.00 0.00 O ATOM 360 CB SER A 160 37.576 6.495 -3.673 1.00 0.00 C ATOM 361 OG SER A 160 38.925 6.849 -3.954 1.00 0.00 O ATOM 0 H SER A 160 35.476 4.964 -3.635 1.00 0.00 H new ATOM 0 HA SER A 160 36.983 6.403 -5.779 1.00 0.00 H new ATOM 0 HB2 SER A 160 36.996 7.388 -3.441 1.00 0.00 H new ATOM 0 HB3 SER A 160 37.534 5.851 -2.795 1.00 0.00 H new ATOM 0 HG SER A 160 39.071 6.840 -4.923 1.00 0.00 H new ATOM 367 N ALA A 161 38.088 4.154 -6.464 1.00 0.00 N ATOM 368 CA ALA A 161 38.871 2.928 -6.746 1.00 0.00 C ATOM 369 C ALA A 161 40.358 3.133 -6.398 1.00 0.00 C ATOM 370 O ALA A 161 41.137 2.178 -6.356 1.00 0.00 O ATOM 371 CB ALA A 161 38.713 2.536 -8.233 1.00 0.00 C ATOM 0 H ALA A 161 37.816 4.689 -7.289 1.00 0.00 H new ATOM 0 HA ALA A 161 38.489 2.120 -6.122 1.00 0.00 H new ATOM 0 HB1 ALA A 161 39.291 1.634 -8.435 1.00 0.00 H new ATOM 0 HB2 ALA A 161 37.661 2.350 -8.450 1.00 0.00 H new ATOM 0 HB3 ALA A 161 39.075 3.348 -8.864 1.00 0.00 H new ATOM 377 N ASP A 162 40.713 4.404 -6.157 1.00 0.00 N ATOM 378 CA ASP A 162 42.086 4.821 -5.811 1.00 0.00 C ATOM 379 C ASP A 162 42.178 5.148 -4.311 1.00 0.00 C ATOM 380 O ASP A 162 42.951 6.021 -3.901 1.00 0.00 O ATOM 381 CB ASP A 162 42.451 6.074 -6.659 1.00 0.00 C ATOM 382 CG ASP A 162 41.471 7.226 -6.381 1.00 0.00 C ATOM 383 OD1 ASP A 162 40.342 7.140 -6.839 1.00 0.00 O ATOM 384 OD2 ASP A 162 41.863 8.172 -5.713 1.00 0.00 O ATOM 0 H ASP A 162 40.052 5.180 -6.196 1.00 0.00 H new ATOM 0 HA ASP A 162 42.785 4.013 -6.027 1.00 0.00 H new ATOM 0 HB2 ASP A 162 43.468 6.392 -6.428 1.00 0.00 H new ATOM 0 HB3 ASP A 162 42.430 5.820 -7.719 1.00 0.00 H new ATOM 389 N TYR A 163 41.357 4.462 -3.497 1.00 0.00 N ATOM 390 CA TYR A 163 41.311 4.704 -2.049 1.00 0.00 C ATOM 391 C TYR A 163 42.546 4.123 -1.336 1.00 0.00 C ATOM 392 O TYR A 163 42.742 2.905 -1.338 1.00 0.00 O ATOM 393 CB TYR A 163 40.020 4.057 -1.487 1.00 0.00 C ATOM 394 CG TYR A 163 39.880 4.306 0.023 1.00 0.00 C ATOM 395 CD1 TYR A 163 39.536 5.588 0.496 1.00 0.00 C ATOM 396 CD2 TYR A 163 40.087 3.258 0.946 1.00 0.00 C ATOM 397 CE1 TYR A 163 39.399 5.816 1.875 1.00 0.00 C ATOM 398 CE2 TYR A 163 39.950 3.496 2.320 1.00 0.00 C ATOM 399 CZ TYR A 163 39.606 4.772 2.782 1.00 0.00 C ATOM 400 OH TYR A 163 39.471 5.001 4.137 1.00 0.00 O ATOM 0 H TYR A 163 40.717 3.736 -3.820 1.00 0.00 H new ATOM 0 HA TYR A 163 41.311 5.779 -1.870 1.00 0.00 H new ATOM 0 HB2 TYR A 163 39.152 4.463 -2.006 1.00 0.00 H new ATOM 0 HB3 TYR A 163 40.035 2.984 -1.681 1.00 0.00 H new ATOM 0 HD1 TYR A 163 39.378 6.396 -0.203 1.00 0.00 H new ATOM 0 HD2 TYR A 163 40.351 2.272 0.593 1.00 0.00 H new ATOM 0 HE1 TYR A 163 39.133 6.799 2.235 1.00 0.00 H new ATOM 0 HE2 TYR A 163 40.110 2.693 3.024 1.00 0.00 H new ATOM 0 HH TYR A 163 39.648 4.172 4.628 1.00 0.00 H new ATOM 410 N LYS A 164 43.341 5.001 -0.701 1.00 0.00 N ATOM 411 CA LYS A 164 44.532 4.586 0.059 1.00 0.00 C ATOM 412 C LYS A 164 44.187 4.632 1.557 1.00 0.00 C ATOM 413 O LYS A 164 44.192 5.702 2.172 1.00 0.00 O ATOM 414 CB LYS A 164 45.724 5.539 -0.251 1.00 0.00 C ATOM 415 CG LYS A 164 46.136 5.454 -1.761 1.00 0.00 C ATOM 416 CD LYS A 164 47.389 6.350 -2.044 1.00 0.00 C ATOM 417 CE LYS A 164 47.787 6.302 -3.545 1.00 0.00 C ATOM 418 NZ LYS A 164 46.685 6.870 -4.373 1.00 0.00 N ATOM 0 H LYS A 164 43.179 6.008 -0.700 1.00 0.00 H new ATOM 0 HA LYS A 164 44.825 3.575 -0.224 1.00 0.00 H new ATOM 0 HB2 LYS A 164 45.448 6.564 -0.003 1.00 0.00 H new ATOM 0 HB3 LYS A 164 46.576 5.277 0.377 1.00 0.00 H new ATOM 0 HG2 LYS A 164 46.355 4.420 -2.026 1.00 0.00 H new ATOM 0 HG3 LYS A 164 45.304 5.774 -2.389 1.00 0.00 H new ATOM 0 HD2 LYS A 164 47.176 7.379 -1.754 1.00 0.00 H new ATOM 0 HD3 LYS A 164 48.226 6.013 -1.432 1.00 0.00 H new ATOM 0 HE2 LYS A 164 48.705 6.867 -3.706 1.00 0.00 H new ATOM 0 HE3 LYS A 164 47.988 5.274 -3.846 1.00 0.00 H new ATOM 0 HZ1 LYS A 164 47.034 7.058 -5.334 1.00 0.00 H new ATOM 0 HZ2 LYS A 164 45.898 6.191 -4.417 1.00 0.00 H new ATOM 0 HZ3 LYS A 164 46.352 7.758 -3.946 1.00 0.00 H new ATOM 432 N GLY A 165 43.871 3.460 2.128 1.00 0.00 N ATOM 433 CA GLY A 165 43.500 3.348 3.546 1.00 0.00 C ATOM 434 C GLY A 165 42.879 1.974 3.819 1.00 0.00 C ATOM 435 O GLY A 165 42.778 1.158 2.898 1.00 0.00 O ATOM 0 H GLY A 165 43.865 2.572 1.626 1.00 0.00 H new ATOM 0 HA2 GLY A 165 44.380 3.489 4.173 1.00 0.00 H new ATOM 0 HA3 GLY A 165 42.792 4.135 3.808 1.00 0.00 H new ATOM 439 N PRO A 166 42.460 1.681 5.051 1.00 0.00 N ATOM 440 CA PRO A 166 41.844 0.348 5.388 1.00 0.00 C ATOM 441 C PRO A 166 40.418 0.223 4.808 1.00 0.00 C ATOM 442 O PRO A 166 39.598 1.131 4.954 1.00 0.00 O ATOM 443 CB PRO A 166 41.870 0.321 6.932 1.00 0.00 C ATOM 444 CG PRO A 166 41.767 1.768 7.336 1.00 0.00 C ATOM 445 CD PRO A 166 42.522 2.565 6.249 1.00 0.00 C ATOM 0 HA PRO A 166 42.379 -0.498 4.957 1.00 0.00 H new ATOM 0 HB2 PRO A 166 41.041 -0.263 7.333 1.00 0.00 H new ATOM 0 HB3 PRO A 166 42.789 -0.131 7.306 1.00 0.00 H new ATOM 0 HG2 PRO A 166 40.725 2.083 7.399 1.00 0.00 H new ATOM 0 HG3 PRO A 166 42.209 1.932 8.319 1.00 0.00 H new ATOM 0 HD2 PRO A 166 42.050 3.529 6.059 1.00 0.00 H new ATOM 0 HD3 PRO A 166 43.552 2.767 6.544 1.00 0.00 H new ATOM 453 N ARG A 167 40.158 -0.921 4.156 1.00 0.00 N ATOM 454 CA ARG A 167 38.859 -1.236 3.520 1.00 0.00 C ATOM 455 C ARG A 167 38.040 -2.110 4.481 1.00 0.00 C ATOM 456 O ARG A 167 38.625 -2.962 5.154 1.00 0.00 O ATOM 457 CB ARG A 167 39.139 -1.968 2.174 1.00 0.00 C ATOM 458 CG ARG A 167 40.033 -1.067 1.249 1.00 0.00 C ATOM 459 CD ARG A 167 40.376 -1.769 -0.090 1.00 0.00 C ATOM 460 NE ARG A 167 41.334 -0.939 -0.843 1.00 0.00 N ATOM 461 CZ ARG A 167 41.865 -1.324 -2.014 1.00 0.00 C ATOM 462 NH1 ARG A 167 41.536 -2.470 -2.550 1.00 0.00 N ATOM 463 NH2 ARG A 167 42.716 -0.544 -2.624 1.00 0.00 N ATOM 0 H ARG A 167 40.848 -1.665 4.052 1.00 0.00 H new ATOM 0 HA ARG A 167 38.286 -0.333 3.311 1.00 0.00 H new ATOM 0 HB2 ARG A 167 39.639 -2.918 2.364 1.00 0.00 H new ATOM 0 HB3 ARG A 167 38.199 -2.198 1.673 1.00 0.00 H new ATOM 0 HG2 ARG A 167 39.514 -0.130 1.045 1.00 0.00 H new ATOM 0 HG3 ARG A 167 40.955 -0.813 1.772 1.00 0.00 H new ATOM 0 HD2 ARG A 167 40.802 -2.754 0.101 1.00 0.00 H new ATOM 0 HD3 ARG A 167 39.470 -1.922 -0.676 1.00 0.00 H new ATOM 0 HE ARG A 167 41.605 -0.034 -0.458 1.00 0.00 H new ATOM 0 HH11 ARG A 167 40.870 -3.081 -2.078 1.00 0.00 H new ATOM 0 HH12 ARG A 167 41.945 -2.753 -3.440 1.00 0.00 H new ATOM 0 HH21 ARG A 167 42.974 0.352 -2.210 1.00 0.00 H new ATOM 0 HH22 ARG A 167 43.123 -0.831 -3.514 1.00 0.00 H new ATOM 477 N LYS A 168 36.698 -1.905 4.559 1.00 0.00 N ATOM 478 CA LYS A 168 35.844 -2.701 5.481 1.00 0.00 C ATOM 479 C LYS A 168 34.444 -2.974 4.882 1.00 0.00 C ATOM 480 O LYS A 168 33.527 -3.342 5.624 1.00 0.00 O ATOM 481 CB LYS A 168 35.660 -1.969 6.858 1.00 0.00 C ATOM 482 CG LYS A 168 37.016 -1.527 7.521 1.00 0.00 C ATOM 483 CD LYS A 168 37.473 -0.090 7.073 1.00 0.00 C ATOM 484 CE LYS A 168 36.651 1.031 7.773 1.00 0.00 C ATOM 485 NZ LYS A 168 36.867 0.973 9.247 1.00 0.00 N ATOM 0 H LYS A 168 36.193 -1.211 4.008 1.00 0.00 H new ATOM 0 HA LYS A 168 36.359 -3.650 5.631 1.00 0.00 H new ATOM 0 HB2 LYS A 168 35.033 -1.090 6.712 1.00 0.00 H new ATOM 0 HB3 LYS A 168 35.128 -2.629 7.543 1.00 0.00 H new ATOM 0 HG2 LYS A 168 36.909 -1.548 8.606 1.00 0.00 H new ATOM 0 HG3 LYS A 168 37.793 -2.247 7.264 1.00 0.00 H new ATOM 0 HD2 LYS A 168 38.531 0.041 7.301 1.00 0.00 H new ATOM 0 HD3 LYS A 168 37.366 0.004 5.992 1.00 0.00 H new ATOM 0 HE2 LYS A 168 36.951 2.007 7.391 1.00 0.00 H new ATOM 0 HE3 LYS A 168 35.591 0.912 7.547 1.00 0.00 H new ATOM 0 HZ1 LYS A 168 36.628 1.893 9.669 1.00 0.00 H new ATOM 0 HZ2 LYS A 168 36.260 0.235 9.658 1.00 0.00 H new ATOM 0 HZ3 LYS A 168 37.864 0.751 9.443 1.00 0.00 H new ATOM 499 N ARG A 169 34.277 -2.803 3.558 1.00 0.00 N ATOM 500 CA ARG A 169 32.968 -3.042 2.900 1.00 0.00 C ATOM 501 C ARG A 169 32.903 -4.436 2.260 1.00 0.00 C ATOM 502 O ARG A 169 33.860 -4.881 1.622 1.00 0.00 O ATOM 503 CB ARG A 169 32.725 -1.994 1.786 1.00 0.00 C ATOM 504 CG ARG A 169 32.513 -0.566 2.375 1.00 0.00 C ATOM 505 CD ARG A 169 32.214 0.446 1.241 1.00 0.00 C ATOM 506 NE ARG A 169 31.938 1.771 1.816 1.00 0.00 N ATOM 507 CZ ARG A 169 31.797 2.870 1.064 1.00 0.00 C ATOM 508 NH1 ARG A 169 31.932 2.818 -0.235 1.00 0.00 N ATOM 509 NH2 ARG A 169 31.524 4.000 1.644 1.00 0.00 N ATOM 0 H ARG A 169 35.019 -2.504 2.925 1.00 0.00 H new ATOM 0 HA ARG A 169 32.205 -2.963 3.675 1.00 0.00 H new ATOM 0 HB2 ARG A 169 33.575 -1.984 1.104 1.00 0.00 H new ATOM 0 HB3 ARG A 169 31.851 -2.280 1.201 1.00 0.00 H new ATOM 0 HG2 ARG A 169 31.688 -0.578 3.087 1.00 0.00 H new ATOM 0 HG3 ARG A 169 33.403 -0.256 2.923 1.00 0.00 H new ATOM 0 HD2 ARG A 169 33.063 0.505 0.560 1.00 0.00 H new ATOM 0 HD3 ARG A 169 31.359 0.108 0.656 1.00 0.00 H new ATOM 0 HE ARG A 169 31.850 1.856 2.829 1.00 0.00 H new ATOM 0 HH11 ARG A 169 32.148 1.931 -0.690 1.00 0.00 H new ATOM 0 HH12 ARG A 169 31.821 3.664 -0.794 1.00 0.00 H new ATOM 0 HH21 ARG A 169 31.420 4.041 2.658 1.00 0.00 H new ATOM 0 HH22 ARG A 169 31.413 4.846 1.085 1.00 0.00 H new ATOM 523 N LYS A 170 31.756 -5.105 2.436 1.00 0.00 N ATOM 524 CA LYS A 170 31.520 -6.448 1.883 1.00 0.00 C ATOM 525 C LYS A 170 31.577 -6.466 0.343 1.00 0.00 C ATOM 526 O LYS A 170 31.888 -7.501 -0.252 1.00 0.00 O ATOM 527 CB LYS A 170 30.104 -6.941 2.318 1.00 0.00 C ATOM 528 CG LYS A 170 30.003 -7.098 3.870 1.00 0.00 C ATOM 529 CD LYS A 170 28.680 -7.842 4.269 1.00 0.00 C ATOM 530 CE LYS A 170 28.624 -8.115 5.795 1.00 0.00 C ATOM 531 NZ LYS A 170 27.342 -8.800 6.127 1.00 0.00 N ATOM 0 H LYS A 170 30.967 -4.733 2.964 1.00 0.00 H new ATOM 0 HA LYS A 170 32.307 -7.097 2.266 1.00 0.00 H new ATOM 0 HB2 LYS A 170 29.350 -6.234 1.973 1.00 0.00 H new ATOM 0 HB3 LYS A 170 29.888 -7.896 1.840 1.00 0.00 H new ATOM 0 HG2 LYS A 170 30.864 -7.654 4.241 1.00 0.00 H new ATOM 0 HG3 LYS A 170 30.030 -6.116 4.342 1.00 0.00 H new ATOM 0 HD2 LYS A 170 27.820 -7.242 3.973 1.00 0.00 H new ATOM 0 HD3 LYS A 170 28.613 -8.785 3.726 1.00 0.00 H new ATOM 0 HE2 LYS A 170 29.469 -8.734 6.096 1.00 0.00 H new ATOM 0 HE3 LYS A 170 28.702 -7.178 6.347 1.00 0.00 H new ATOM 0 HZ1 LYS A 170 27.302 -8.984 7.150 1.00 0.00 H new ATOM 0 HZ2 LYS A 170 26.543 -8.193 5.853 1.00 0.00 H new ATOM 0 HZ3 LYS A 170 27.286 -9.701 5.610 1.00 0.00 H new ATOM 545 N ALA A 171 31.229 -5.332 -0.291 1.00 0.00 N ATOM 546 CA ALA A 171 31.190 -5.239 -1.767 1.00 0.00 C ATOM 547 C ALA A 171 32.583 -5.020 -2.373 1.00 0.00 C ATOM 548 O ALA A 171 32.725 -5.006 -3.598 1.00 0.00 O ATOM 549 CB ALA A 171 30.229 -4.105 -2.195 1.00 0.00 C ATOM 0 H ALA A 171 30.972 -4.470 0.190 1.00 0.00 H new ATOM 0 HA ALA A 171 30.824 -6.192 -2.149 1.00 0.00 H new ATOM 0 HB1 ALA A 171 30.204 -4.041 -3.283 1.00 0.00 H new ATOM 0 HB2 ALA A 171 29.227 -4.316 -1.821 1.00 0.00 H new ATOM 0 HB3 ALA A 171 30.578 -3.158 -1.783 1.00 0.00 H new ATOM 555 N ASP A 172 33.606 -4.884 -1.516 1.00 0.00 N ATOM 556 CA ASP A 172 35.002 -4.701 -1.958 1.00 0.00 C ATOM 557 C ASP A 172 35.675 -6.073 -2.114 1.00 0.00 C ATOM 558 O ASP A 172 36.867 -6.158 -2.419 1.00 0.00 O ATOM 559 CB ASP A 172 35.777 -3.834 -0.934 1.00 0.00 C ATOM 560 CG ASP A 172 37.078 -3.299 -1.551 1.00 0.00 C ATOM 561 OD1 ASP A 172 37.040 -2.226 -2.134 1.00 0.00 O ATOM 562 OD2 ASP A 172 38.089 -3.974 -1.438 1.00 0.00 O ATOM 0 H ASP A 172 33.493 -4.897 -0.502 1.00 0.00 H new ATOM 0 HA ASP A 172 35.011 -4.188 -2.920 1.00 0.00 H new ATOM 0 HB2 ASP A 172 35.153 -3.001 -0.609 1.00 0.00 H new ATOM 0 HB3 ASP A 172 36.005 -4.426 -0.048 1.00 0.00 H new ATOM 567 N ALA A 173 34.875 -7.132 -1.911 1.00 0.00 N ATOM 568 CA ALA A 173 35.339 -8.524 -2.031 1.00 0.00 C ATOM 569 C ALA A 173 34.955 -9.078 -3.413 1.00 0.00 C ATOM 570 O ALA A 173 33.820 -8.903 -3.860 1.00 0.00 O ATOM 571 CB ALA A 173 34.700 -9.381 -0.911 1.00 0.00 C ATOM 0 H ALA A 173 33.890 -7.048 -1.660 1.00 0.00 H new ATOM 0 HA ALA A 173 36.423 -8.559 -1.927 1.00 0.00 H new ATOM 0 HB1 ALA A 173 35.044 -10.411 -1.000 1.00 0.00 H new ATOM 0 HB2 ALA A 173 34.991 -8.984 0.062 1.00 0.00 H new ATOM 0 HB3 ALA A 173 33.614 -9.351 -1.005 1.00 0.00 H new ATOM 577 N SER A 174 35.918 -9.744 -4.072 1.00 0.00 N ATOM 578 CA SER A 174 35.719 -10.341 -5.409 1.00 0.00 C ATOM 579 C SER A 174 35.203 -9.299 -6.427 1.00 0.00 C ATOM 580 O SER A 174 36.018 -8.764 -7.165 1.00 0.00 O ATOM 581 CB SER A 174 34.752 -11.547 -5.325 1.00 0.00 C ATOM 582 OG SER A 174 34.670 -12.170 -6.602 1.00 0.00 O ATOM 583 OXT SER A 174 34.007 -9.053 -6.449 1.00 0.00 O ATOM 0 H SER A 174 36.856 -9.885 -3.696 1.00 0.00 H new ATOM 0 HA SER A 174 36.688 -10.693 -5.762 1.00 0.00 H new ATOM 0 HB2 SER A 174 35.105 -12.261 -4.581 1.00 0.00 H new ATOM 0 HB3 SER A 174 33.764 -11.215 -5.005 1.00 0.00 H new ATOM 0 HG SER A 174 34.060 -12.935 -6.554 1.00 0.00 H new TER 589 SER A 174 HETATM 590 P1 C2E A 501 28.817 -1.115 11.172 1.00 23.22 P HETATM 591 O2P C2E A 501 28.572 -1.710 12.506 1.00 27.82 O HETATM 592 O1P C2E A 501 28.585 0.331 10.961 1.00 26.89 O HETATM 593 O5' C2E A 501 27.950 -1.931 10.069 1.00 25.51 O HETATM 594 C5' C2E A 501 27.378 -3.226 10.347 1.00 25.60 C HETATM 595 C4' C2E A 501 26.819 -3.889 9.068 1.00 25.10 C HETATM 596 O4' C2E A 501 25.577 -3.268 8.719 1.00 25.66 O HETATM 597 C3' C2E A 501 27.739 -3.792 7.839 1.00 22.74 C HETATM 598 O3' C2E A 501 28.475 -5.018 7.675 1.00 22.93 O HETATM 599 C2' C2E A 501 26.769 -3.634 6.671 1.00 24.36 C HETATM 600 O2' C2E A 501 26.429 -4.908 6.108 1.00 24.56 O HETATM 601 C1' C2E A 501 25.541 -2.975 7.311 1.00 23.97 C HETATM 602 N9 C2E A 501 25.451 -1.489 7.157 1.00 24.40 N HETATM 603 C8 C2E A 501 25.280 -0.527 8.126 1.00 24.12 C HETATM 604 N7 C2E A 501 25.202 0.692 7.658 1.00 22.11 N HETATM 605 C5 C2E A 501 25.333 0.533 6.285 1.00 22.56 C HETATM 606 C6 C2E A 501 25.328 1.510 5.258 1.00 23.36 C HETATM 607 O6 C2E A 501 25.202 2.726 5.370 1.00 24.78 O HETATM 608 N1 C2E A 501 25.491 0.935 4.004 1.00 24.35 N HETATM 609 C2 C2E A 501 25.640 -0.421 3.767 1.00 23.45 C HETATM 610 N2 C2E A 501 25.789 -0.802 2.496 1.00 23.60 N HETATM 611 N3 C2E A 501 25.642 -1.339 4.737 1.00 24.32 N HETATM 612 C4 C2E A 501 25.484 -0.792 5.965 1.00 23.20 C HETATM 613 P11 C2E A 501 29.633 -5.481 8.707 1.00 23.09 P HETATM 614 O21 C2E A 501 28.978 -6.053 9.903 1.00 22.92 O HETATM 615 O11 C2E A 501 30.625 -6.287 7.958 1.00 20.03 O HETATM 616 O5A C2E A 501 30.326 -4.084 9.135 1.00 23.30 O HETATM 617 C5A C2E A 501 31.313 -3.434 8.314 1.00 24.34 C HETATM 618 C4A C2E A 501 31.883 -2.194 9.024 1.00 26.03 C HETATM 619 O4A C2E A 501 32.807 -1.525 8.167 1.00 25.66 O HETATM 620 C3A C2E A 501 30.848 -1.137 9.430 1.00 25.65 C HETATM 621 O3A C2E A 501 30.341 -1.447 10.744 1.00 26.70 O HETATM 622 C2A C2E A 501 31.680 0.152 9.479 1.00 24.34 C HETATM 623 O2A C2E A 501 32.198 0.379 10.796 1.00 23.55 O HETATM 624 C1A C2E A 501 32.822 -0.118 8.484 1.00 24.17 C HETATM 625 N91 C2E A 501 32.740 0.654 7.202 1.00 24.45 N HETATM 626 C81 C2E A 501 32.503 0.198 5.923 1.00 24.20 C HETATM 627 N71 C2E A 501 32.497 1.131 5.018 1.00 23.82 N HETATM 628 C51 C2E A 501 32.748 2.294 5.727 1.00 23.12 C HETATM 629 C61 C2E A 501 32.860 3.625 5.259 1.00 24.00 C HETATM 630 O61 C2E A 501 32.764 4.036 4.108 1.00 23.59 O HETATM 631 N11 C2E A 501 33.126 4.510 6.287 1.00 25.00 N HETATM 632 C21 C2E A 501 33.263 4.157 7.622 1.00 24.24 C HETATM 633 N21 C2E A 501 33.516 5.145 8.485 1.00 25.28 N HETATM 634 N31 C2E A 501 33.156 2.899 8.064 1.00 22.58 N HETATM 635 C41 C2E A 501 32.899 2.022 7.064 1.00 23.31 C HETATM 0 HO2A C2E A 501 31.741 -0.209 11.433 1.00 23.55 H new HETATM 0 HO2' C2E A 501 27.045 -5.590 6.447 1.00 24.56 H new HETATM 0 HN24 C2E A 501 33.600 6.105 8.151 1.00 25.28 H new HETATM 0 HN23 C2E A 501 33.626 4.939 9.478 1.00 25.28 H new HETATM 0 HN22 C2E A 501 25.902 -1.790 2.270 1.00 23.60 H new HETATM 0 HN21 C2E A 501 25.790 -0.105 1.751 1.00 23.60 H new HETATM 0 HN11 C2E A 501 33.229 5.496 6.046 1.00 25.00 H new HETATM 0 H512 C2E A 501 32.119 -4.131 8.086 1.00 24.34 H new HETATM 0 H511 C2E A 501 30.867 -3.141 7.364 1.00 24.34 H new HETATM 0 H5'2 C2E A 501 28.136 -3.872 10.790 1.00 25.60 H new HETATM 0 H5'1 C2E A 501 26.580 -3.121 11.082 1.00 25.60 H new HETATM 0 HN1 C2E A 501 25.502 1.559 3.197 1.00 24.35 H new HETATM 0 H81 C2E A 501 32.335 -0.854 5.691 1.00 24.20 H new HETATM 0 H8 C2E A 501 25.215 -0.760 9.189 1.00 24.12 H new HETATM 0 H4A C2E A 501 32.335 -2.594 9.931 1.00 26.03 H new HETATM 0 H4' C2E A 501 26.714 -4.946 9.313 1.00 25.10 H new HETATM 0 H3A C2E A 501 29.992 -1.073 8.759 1.00 25.65 H new HETATM 0 H3' C2E A 501 28.462 -2.980 7.919 1.00 22.74 H new HETATM 0 H2A C2E A 501 31.098 1.040 9.230 1.00 24.34 H new HETATM 0 H2' C2E A 501 27.187 -3.050 5.851 1.00 24.36 H new HETATM 0 H1A C2E A 501 33.741 0.206 8.972 1.00 24.17 H new HETATM 0 H1' C2E A 501 24.674 -3.382 6.792 1.00 23.97 H new HETATM 658 P1 C2E A 502 31.867 9.768 1.191 1.00 23.09 P HETATM 659 O2P C2E A 502 32.805 10.908 1.297 1.00 22.92 O HETATM 660 O1P C2E A 502 30.638 9.906 0.377 1.00 20.03 O HETATM 661 O5' C2E A 502 31.446 9.327 2.694 1.00 23.30 O HETATM 662 C5' C2E A 502 30.196 8.670 2.980 1.00 24.34 C HETATM 663 C4' C2E A 502 30.004 8.453 4.496 1.00 26.03 C HETATM 664 O4' C2E A 502 28.915 7.554 4.727 1.00 25.66 O HETATM 665 C3' C2E A 502 31.207 7.846 5.229 1.00 25.65 C HETATM 666 O3' C2E A 502 32.083 8.906 5.664 1.00 26.70 O HETATM 667 C2' C2E A 502 30.558 7.173 6.443 1.00 24.34 C HETATM 668 O2' C2E A 502 30.463 8.082 7.547 1.00 23.55 O HETATM 669 C1' C2E A 502 29.161 6.790 5.930 1.00 24.17 C HETATM 670 N9 C2E A 502 28.981 5.335 5.612 1.00 24.45 N HETATM 671 C8 C2E A 502 28.758 4.730 4.394 1.00 24.20 C HETATM 672 N7 C2E A 502 28.602 3.440 4.460 1.00 23.82 N HETATM 673 C5 C2E A 502 28.724 3.152 5.811 1.00 23.12 C HETATM 674 C6 C2E A 502 28.638 1.901 6.480 1.00 24.00 C HETATM 675 O6 C2E A 502 28.429 0.792 5.998 1.00 23.59 O HETATM 676 N1 C2E A 502 28.820 2.037 7.846 1.00 25.00 N HETATM 677 C2 C2E A 502 29.058 3.239 8.498 1.00 24.24 C HETATM 678 N2 C2E A 502 29.220 3.189 9.822 1.00 25.28 N HETATM 679 N3 C2E A 502 29.136 4.416 7.866 1.00 22.58 N HETATM 680 C4 C2E A 502 28.959 4.297 6.529 1.00 23.31 C HETATM 681 P11 C2E A 502 33.680 8.689 5.796 1.00 23.22 P HETATM 682 O21 C2E A 502 34.304 10.009 6.046 1.00 27.82 O HETATM 683 O11 C2E A 502 33.915 7.576 6.742 1.00 26.89 O HETATM 684 O5A C2E A 502 34.097 8.185 4.311 1.00 25.51 O HETATM 685 C5A C2E A 502 34.662 9.077 3.328 1.00 25.60 C HETATM 686 C4A C2E A 502 34.760 8.407 1.938 1.00 25.10 C HETATM 687 O4A C2E A 502 35.836 7.457 1.944 1.00 25.66 O HETATM 688 C3A C2E A 502 33.497 7.652 1.493 1.00 22.74 C HETATM 689 O3A C2E A 502 32.696 8.490 0.635 1.00 22.93 O HETATM 690 C2A C2E A 502 34.051 6.482 0.680 1.00 24.36 C HETATM 691 O2A C2E A 502 34.160 6.823 -0.707 1.00 24.56 O HETATM 692 C1A C2E A 502 35.433 6.240 1.289 1.00 23.97 C HETATM 693 N91 C2E A 502 35.500 5.135 2.291 1.00 24.40 N HETATM 694 C81 C2E A 502 35.528 5.214 3.665 1.00 24.12 C HETATM 695 N71 C2E A 502 35.612 4.060 4.261 1.00 22.11 N HETATM 696 C51 C2E A 502 35.638 3.139 3.220 1.00 22.56 C HETATM 697 C61 C2E A 502 35.722 1.721 3.266 1.00 23.36 C HETATM 698 O61 C2E A 502 35.765 0.994 4.253 1.00 24.78 O HETATM 699 N11 C2E A 502 35.729 1.164 1.995 1.00 24.35 N HETATM 700 C21 C2E A 502 35.658 1.889 0.815 1.00 23.45 C HETATM 701 N21 C2E A 502 35.677 1.190 -0.324 1.00 23.60 N HETATM 702 N31 C2E A 502 35.577 3.224 0.773 1.00 24.32 N HETATM 703 C41 C2E A 502 35.572 3.781 2.010 1.00 23.20 C HETATM 0 HO2A C2E A 502 33.756 7.703 -0.860 1.00 24.56 H new HETATM 0 HO2' C2E A 502 31.051 8.850 7.390 1.00 23.55 H new HETATM 0 HN24 C2E A 502 35.741 0.172 -0.297 1.00 23.60 H new HETATM 0 HN23 C2E A 502 35.627 1.674 -1.220 1.00 23.60 H new HETATM 0 HN22 C2E A 502 29.397 4.045 10.347 1.00 25.28 H new HETATM 0 HN21 C2E A 502 29.167 2.294 10.309 1.00 25.28 H new HETATM 0 HN11 C2E A 502 35.791 0.148 1.924 1.00 24.35 H new HETATM 0 H512 C2E A 502 34.049 9.975 3.257 1.00 25.60 H new HETATM 0 H511 C2E A 502 35.654 9.393 3.651 1.00 25.60 H new HETATM 0 H5'2 C2E A 502 29.372 9.268 2.590 1.00 24.34 H new HETATM 0 H5'1 C2E A 502 30.163 7.709 2.467 1.00 24.34 H new HETATM 0 HN1 C2E A 502 28.776 1.192 8.415 1.00 25.00 H new HETATM 0 H81 C2E A 502 35.484 6.159 4.206 1.00 24.12 H new HETATM 0 H8 C2E A 502 28.716 5.284 3.456 1.00 24.20 H new HETATM 0 H4A C2E A 502 34.914 9.228 1.238 1.00 25.10 H new HETATM 0 H4' C2E A 502 29.836 9.457 4.886 1.00 26.03 H new HETATM 0 H3A C2E A 502 32.869 7.345 2.330 1.00 22.74 H new HETATM 0 H3' C2E A 502 31.800 7.163 4.621 1.00 25.65 H new HETATM 0 H2A C2E A 502 33.409 5.602 0.720 1.00 24.36 H new HETATM 0 H2' C2E A 502 31.129 6.320 6.811 1.00 24.34 H new HETATM 0 H1A C2E A 502 36.086 5.943 0.468 1.00 23.97 H new HETATM 0 H1' C2E A 502 28.459 7.008 6.735 1.00 24.17 H new