USER MOD reduce.3.24.130724 H: found=0, std=0, add=373, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 379 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 191 ASN : amide:sc= 0.954 K(o=2,f=-7.2!) USER MOD Set 1.2: A 198 THR OG1 : rot 117:sc= 1.04 USER MOD Single : A 179 MET CE :methyl 169:sc= -7.46! (180deg=-7.84!) USER MOD Single : A 181 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 182 THR OG1 : rot 172:sc= -2.2! USER MOD Single : A 183 SER OG : rot -35:sc= 0.078 USER MOD Single : A 184 SER OG : rot 180:sc=0.000571 USER MOD Single : A 186 GLN : amide:sc= -0.538! X(o=-0.54!,f=-0.49) USER MOD Single : A 188 TYR OH : rot 180:sc= -0.206 USER MOD Single : A 192 HIS : no HD1:sc= -0.732! C(o=-0.73!,f=-5.2!) USER MOD Single : A 195 GLN : amide:sc= -0.276 X(o=-0.28,f=0) USER MOD Single : A 196 THR OG1 : rot 180:sc= -0.0761 USER MOD Single : A 197 THR OG1 : rot 180:sc= 0 USER MOD Single : A 200 GLN :FLIP amide:sc= -0.0226 F(o=-0.83,f=-0.023) USER MOD Single : A 204 LYS NZ :NH3+ -171:sc= 1.38 (180deg=1.11) USER MOD Single : B 206 SER OG : rot 180:sc= -0.664 USER MOD Single : B 211 TYR OH : rot 180:sc=-0.00465 USER MOD Single : B 212 SER OG : rot 180:sc= 0 USER MOD Single : B 214 TYR OH : rot 180:sc= 0 USER MOD Single : B 216 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 170 11.806 7.299 7.285 1.00 15.00 N ATOM 2 CA ASP A 170 11.280 7.436 5.904 1.00 15.00 C ATOM 3 C ASP A 170 11.753 6.301 5.001 1.00 15.00 C ATOM 4 O ASP A 170 11.295 6.178 3.867 1.00 15.00 O ATOM 5 CB ASP A 170 11.682 8.781 5.303 1.00 15.00 C ATOM 6 CG ASP A 170 10.969 9.939 5.964 1.00 15.00 C ATOM 7 OD1 ASP A 170 9.841 10.264 5.545 1.00 15.00 O1- ATOM 8 OD2 ASP A 170 11.530 10.531 6.909 1.00 15.00 O ATOM 0 HA ASP A 170 10.193 7.384 5.968 1.00 15.00 H new ATOM 0 HB2 ASP A 170 12.759 8.915 5.404 1.00 15.00 H new ATOM 0 HB3 ASP A 170 11.459 8.781 4.236 1.00 15.00 H new ATOM 15 N VAL A 171 12.697 5.494 5.477 1.00 15.00 N ATOM 16 CA VAL A 171 13.186 4.359 4.694 1.00 15.00 C ATOM 17 C VAL A 171 12.208 3.171 4.720 1.00 15.00 C ATOM 18 O VAL A 171 11.862 2.648 3.663 1.00 15.00 O ATOM 19 CB VAL A 171 14.582 3.894 5.167 1.00 15.00 C ATOM 20 CG1 VAL A 171 15.020 2.633 4.431 1.00 15.00 C ATOM 21 CG2 VAL A 171 15.604 5.002 4.966 1.00 15.00 C ATOM 0 H VAL A 171 13.136 5.601 6.391 1.00 15.00 H new ATOM 0 HA VAL A 171 13.266 4.715 3.667 1.00 15.00 H new ATOM 0 HB VAL A 171 14.517 3.661 6.230 1.00 15.00 H new ATOM 0 HG11 VAL A 171 16.005 2.329 4.784 1.00 15.00 H new ATOM 0 HG12 VAL A 171 14.304 1.833 4.621 1.00 15.00 H new ATOM 0 HG13 VAL A 171 15.064 2.833 3.360 1.00 15.00 H new ATOM 0 HG21 VAL A 171 16.582 4.660 5.304 1.00 15.00 H new ATOM 0 HG22 VAL A 171 15.655 5.262 3.909 1.00 15.00 H new ATOM 0 HG23 VAL A 171 15.308 5.879 5.541 1.00 15.00 H new ATOM 31 N PRO A 172 11.733 2.724 5.910 1.00 15.00 N ATOM 32 CA PRO A 172 10.776 1.611 5.991 1.00 15.00 C ATOM 33 C PRO A 172 9.421 1.957 5.377 1.00 15.00 C ATOM 34 O PRO A 172 8.648 1.074 5.014 1.00 15.00 O ATOM 35 CB PRO A 172 10.631 1.353 7.493 1.00 15.00 C ATOM 36 CG PRO A 172 11.040 2.630 8.138 1.00 15.00 C ATOM 37 CD PRO A 172 12.104 3.216 7.253 1.00 15.00 C ATOM 0 HA PRO A 172 11.128 0.743 5.433 1.00 15.00 H new ATOM 0 HB2 PRO A 172 9.606 1.089 7.752 1.00 15.00 H new ATOM 0 HB3 PRO A 172 11.264 0.526 7.815 1.00 15.00 H new ATOM 0 HG2 PRO A 172 10.193 3.309 8.232 1.00 15.00 H new ATOM 0 HG3 PRO A 172 11.421 2.455 9.144 1.00 15.00 H new ATOM 0 HD2 PRO A 172 12.109 4.305 7.296 1.00 15.00 H new ATOM 0 HD3 PRO A 172 13.100 2.881 7.544 1.00 15.00 H new ATOM 45 N LEU A 173 9.133 3.247 5.290 1.00 15.00 N ATOM 46 CA LEU A 173 7.912 3.716 4.652 1.00 15.00 C ATOM 47 C LEU A 173 8.252 4.768 3.601 1.00 15.00 C ATOM 48 O LEU A 173 8.459 5.935 3.935 1.00 15.00 O ATOM 49 CB LEU A 173 6.933 4.311 5.674 1.00 15.00 C ATOM 50 CG LEU A 173 6.498 3.393 6.824 1.00 15.00 C ATOM 51 CD1 LEU A 173 5.505 4.121 7.715 1.00 15.00 C ATOM 52 CD2 LEU A 173 5.884 2.101 6.306 1.00 15.00 C ATOM 0 H LEU A 173 9.730 3.990 5.654 1.00 15.00 H new ATOM 0 HA LEU A 173 7.430 2.859 4.181 1.00 15.00 H new ATOM 0 HB2 LEU A 173 7.389 5.203 6.104 1.00 15.00 H new ATOM 0 HB3 LEU A 173 6.040 4.636 5.141 1.00 15.00 H new ATOM 0 HG LEU A 173 7.385 3.132 7.401 1.00 15.00 H new ATOM 0 HD11 LEU A 173 5.199 3.465 8.530 1.00 15.00 H new ATOM 0 HD12 LEU A 173 5.972 5.016 8.125 1.00 15.00 H new ATOM 0 HD13 LEU A 173 4.630 4.404 7.129 1.00 15.00 H new ATOM 0 HD21 LEU A 173 5.588 1.476 7.148 1.00 15.00 H new ATOM 0 HD22 LEU A 173 5.008 2.332 5.700 1.00 15.00 H new ATOM 0 HD23 LEU A 173 6.616 1.568 5.698 1.00 15.00 H new ATOM 64 N PRO A 174 8.372 4.351 2.330 1.00 15.00 N ATOM 65 CA PRO A 174 8.701 5.252 1.218 1.00 15.00 C ATOM 66 C PRO A 174 7.696 6.396 1.074 1.00 15.00 C ATOM 67 O PRO A 174 6.520 6.257 1.419 1.00 15.00 O ATOM 68 CB PRO A 174 8.661 4.336 -0.014 1.00 15.00 C ATOM 69 CG PRO A 174 8.843 2.959 0.520 1.00 15.00 C ATOM 70 CD PRO A 174 8.207 2.960 1.879 1.00 15.00 C ATOM 0 HA PRO A 174 9.663 5.742 1.366 1.00 15.00 H new ATOM 0 HB2 PRO A 174 7.714 4.431 -0.545 1.00 15.00 H new ATOM 0 HB3 PRO A 174 9.450 4.592 -0.721 1.00 15.00 H new ATOM 0 HG2 PRO A 174 8.373 2.222 -0.131 1.00 15.00 H new ATOM 0 HG3 PRO A 174 9.900 2.701 0.583 1.00 15.00 H new ATOM 0 HD2 PRO A 174 7.156 2.675 1.831 1.00 15.00 H new ATOM 0 HD3 PRO A 174 8.698 2.258 2.553 1.00 15.00 H new ATOM 78 N ALA A 175 8.153 7.511 0.522 1.00 15.00 N ATOM 79 CA ALA A 175 7.324 8.700 0.398 1.00 15.00 C ATOM 80 C ALA A 175 6.566 8.684 -0.922 1.00 15.00 C ATOM 81 O ALA A 175 7.120 8.340 -1.967 1.00 15.00 O ATOM 82 CB ALA A 175 8.178 9.955 0.510 1.00 15.00 C ATOM 0 H ALA A 175 9.098 7.616 0.152 1.00 15.00 H new ATOM 0 HA ALA A 175 6.598 8.704 1.211 1.00 15.00 H new ATOM 0 HB1 ALA A 175 7.544 10.836 0.415 1.00 15.00 H new ATOM 0 HB2 ALA A 175 8.678 9.970 1.479 1.00 15.00 H new ATOM 0 HB3 ALA A 175 8.925 9.959 -0.284 1.00 15.00 H new ATOM 88 N GLY A 176 5.302 9.075 -0.869 1.00 15.00 N ATOM 89 CA GLY A 176 4.429 8.944 -2.017 1.00 15.00 C ATOM 90 C GLY A 176 3.759 7.588 -2.032 1.00 15.00 C ATOM 91 O GLY A 176 3.173 7.176 -3.033 1.00 15.00 O ATOM 0 H GLY A 176 4.862 9.484 -0.045 1.00 15.00 H new ATOM 0 HA2 GLY A 176 3.672 9.728 -1.995 1.00 15.00 H new ATOM 0 HA3 GLY A 176 5.003 9.081 -2.933 1.00 15.00 H new ATOM 95 N TRP A 177 3.830 6.910 -0.895 1.00 15.00 N ATOM 96 CA TRP A 177 3.241 5.592 -0.736 1.00 15.00 C ATOM 97 C TRP A 177 2.249 5.595 0.418 1.00 15.00 C ATOM 98 O TRP A 177 2.420 6.326 1.396 1.00 15.00 O ATOM 99 CB TRP A 177 4.330 4.546 -0.475 1.00 15.00 C ATOM 100 CG TRP A 177 5.222 4.273 -1.650 1.00 15.00 C ATOM 101 CD1 TRP A 177 6.267 5.031 -2.082 1.00 15.00 C ATOM 102 CD2 TRP A 177 5.158 3.146 -2.526 1.00 15.00 C ATOM 103 NE1 TRP A 177 6.850 4.454 -3.183 1.00 15.00 N ATOM 104 CE2 TRP A 177 6.186 3.293 -3.476 1.00 15.00 C ATOM 105 CE3 TRP A 177 4.329 2.029 -2.600 1.00 15.00 C ATOM 106 CZ2 TRP A 177 6.401 2.362 -4.489 1.00 15.00 C ATOM 107 CZ3 TRP A 177 4.546 1.104 -3.599 1.00 15.00 C ATOM 108 CH2 TRP A 177 5.574 1.274 -4.531 1.00 15.00 C ATOM 0 H TRP A 177 4.298 7.260 -0.059 1.00 15.00 H new ATOM 0 HA TRP A 177 2.718 5.337 -1.658 1.00 15.00 H new ATOM 0 HB2 TRP A 177 4.944 4.879 0.362 1.00 15.00 H new ATOM 0 HB3 TRP A 177 3.855 3.613 -0.170 1.00 15.00 H new ATOM 0 HD1 TRP A 177 6.591 5.954 -1.624 1.00 15.00 H new ATOM 0 HE1 TRP A 177 7.647 4.829 -3.698 1.00 15.00 H new ATOM 0 HE3 TRP A 177 3.530 1.890 -1.887 1.00 15.00 H new ATOM 0 HZ2 TRP A 177 7.191 2.494 -5.214 1.00 15.00 H new ATOM 0 HZ3 TRP A 177 3.911 0.233 -3.663 1.00 15.00 H new ATOM 0 HH2 TRP A 177 5.718 0.530 -5.301 1.00 15.00 H new ATOM 119 N GLU A 178 1.215 4.781 0.302 1.00 15.00 N ATOM 120 CA GLU A 178 0.244 4.626 1.374 1.00 15.00 C ATOM 121 C GLU A 178 0.554 3.351 2.151 1.00 15.00 C ATOM 122 O GLU A 178 0.476 2.252 1.600 1.00 15.00 O ATOM 123 CB GLU A 178 -1.177 4.578 0.814 1.00 15.00 C ATOM 124 CG GLU A 178 -2.251 4.752 1.869 1.00 15.00 C ATOM 125 CD GLU A 178 -2.229 6.141 2.468 1.00 15.00 C ATOM 126 OE1 GLU A 178 -1.464 6.367 3.429 1.00 15.00 O1- ATOM 127 OE2 GLU A 178 -2.950 7.016 1.955 1.00 15.00 O ATOM 0 H GLU A 178 1.025 4.215 -0.525 1.00 15.00 H new ATOM 0 HA GLU A 178 0.311 5.484 2.043 1.00 15.00 H new ATOM 0 HB2 GLU A 178 -1.289 5.359 0.062 1.00 15.00 H new ATOM 0 HB3 GLU A 178 -1.327 3.624 0.308 1.00 15.00 H new ATOM 0 HG2 GLU A 178 -3.229 4.562 1.427 1.00 15.00 H new ATOM 0 HG3 GLU A 178 -2.109 4.013 2.658 1.00 15.00 H new ATOM 134 N MET A 179 0.908 3.503 3.418 1.00 15.00 N ATOM 135 CA MET A 179 1.424 2.385 4.199 1.00 15.00 C ATOM 136 C MET A 179 0.413 1.926 5.241 1.00 15.00 C ATOM 137 O MET A 179 0.145 2.647 6.205 1.00 15.00 O ATOM 138 CB MET A 179 2.721 2.781 4.921 1.00 15.00 C ATOM 139 CG MET A 179 3.604 3.750 4.145 1.00 15.00 C ATOM 140 SD MET A 179 4.110 3.124 2.533 1.00 15.00 S ATOM 141 CE MET A 179 5.217 1.803 3.006 1.00 15.00 C ATOM 0 H MET A 179 0.849 4.385 3.927 1.00 15.00 H new ATOM 0 HA MET A 179 1.620 1.570 3.502 1.00 15.00 H new ATOM 0 HB2 MET A 179 2.465 3.231 5.880 1.00 15.00 H new ATOM 0 HB3 MET A 179 3.294 1.878 5.134 1.00 15.00 H new ATOM 0 HG2 MET A 179 3.068 4.689 4.010 1.00 15.00 H new ATOM 0 HG3 MET A 179 4.493 3.972 4.735 1.00 15.00 H new ATOM 0 HE1 MET A 179 5.457 1.199 2.131 1.00 15.00 H new ATOM 0 HE2 MET A 179 6.133 2.226 3.417 1.00 15.00 H new ATOM 0 HE3 MET A 179 4.737 1.177 3.758 1.00 15.00 H new ATOM 151 N ALA A 180 -0.164 0.746 5.047 1.00 15.00 N ATOM 152 CA ALA A 180 -1.020 0.157 6.070 1.00 15.00 C ATOM 153 C ALA A 180 -0.972 -1.364 6.012 1.00 15.00 C ATOM 154 O ALA A 180 -0.779 -1.950 4.948 1.00 15.00 O ATOM 155 CB ALA A 180 -2.449 0.661 5.949 1.00 15.00 C ATOM 0 H ALA A 180 -0.057 0.184 4.202 1.00 15.00 H new ATOM 0 HA ALA A 180 -0.639 0.469 7.042 1.00 15.00 H new ATOM 0 HB1 ALA A 180 -3.063 0.204 6.725 1.00 15.00 H new ATOM 0 HB2 ALA A 180 -2.464 1.745 6.066 1.00 15.00 H new ATOM 0 HB3 ALA A 180 -2.846 0.396 4.969 1.00 15.00 H new ATOM 161 N LYS A 181 -1.144 -1.993 7.168 1.00 15.00 N ATOM 162 CA LYS A 181 -1.060 -3.443 7.283 1.00 15.00 C ATOM 163 C LYS A 181 -2.226 -3.962 8.116 1.00 15.00 C ATOM 164 O LYS A 181 -2.424 -3.528 9.250 1.00 15.00 O ATOM 165 CB LYS A 181 0.258 -3.844 7.956 1.00 15.00 C ATOM 166 CG LYS A 181 1.491 -3.210 7.333 1.00 15.00 C ATOM 167 CD LYS A 181 2.732 -3.489 8.162 1.00 15.00 C ATOM 168 CE LYS A 181 3.924 -2.687 7.668 1.00 15.00 C ATOM 169 NZ LYS A 181 5.121 -2.920 8.514 1.00 15.00 N1+ ATOM 0 H LYS A 181 -1.344 -1.516 8.047 1.00 15.00 H new ATOM 0 HA LYS A 181 -1.101 -3.876 6.284 1.00 15.00 H new ATOM 0 HB2 LYS A 181 0.214 -3.568 9.010 1.00 15.00 H new ATOM 0 HB3 LYS A 181 0.360 -4.928 7.914 1.00 15.00 H new ATOM 0 HG2 LYS A 181 1.631 -3.596 6.323 1.00 15.00 H new ATOM 0 HG3 LYS A 181 1.344 -2.134 7.245 1.00 15.00 H new ATOM 0 HD2 LYS A 181 2.536 -3.245 9.206 1.00 15.00 H new ATOM 0 HD3 LYS A 181 2.966 -4.553 8.122 1.00 15.00 H new ATOM 0 HE2 LYS A 181 4.147 -2.961 6.637 1.00 15.00 H new ATOM 0 HE3 LYS A 181 3.676 -1.626 7.670 1.00 15.00 H new ATOM 0 HZ1 LYS A 181 5.917 -2.358 8.151 1.00 15.00 H new ATOM 0 HZ2 LYS A 181 4.915 -2.636 9.493 1.00 15.00 H new ATOM 0 HZ3 LYS A 181 5.371 -3.929 8.492 1.00 15.00 H new ATOM 183 N THR A 182 -2.986 -4.893 7.567 1.00 15.00 N ATOM 184 CA THR A 182 -4.107 -5.469 8.290 1.00 15.00 C ATOM 185 C THR A 182 -3.635 -6.689 9.078 1.00 15.00 C ATOM 186 O THR A 182 -2.744 -7.418 8.626 1.00 15.00 O ATOM 187 CB THR A 182 -5.254 -5.889 7.341 1.00 15.00 C ATOM 188 OG1 THR A 182 -4.897 -7.077 6.625 1.00 15.00 O ATOM 189 CG2 THR A 182 -5.578 -4.788 6.339 1.00 15.00 C ATOM 0 H THR A 182 -2.849 -5.265 6.627 1.00 15.00 H new ATOM 0 HA THR A 182 -4.492 -4.704 8.965 1.00 15.00 H new ATOM 0 HB THR A 182 -6.134 -6.075 7.956 1.00 15.00 H new ATOM 0 HG1 THR A 182 -5.675 -7.405 6.127 1.00 15.00 H new ATOM 0 HG21 THR A 182 -6.388 -5.116 5.688 1.00 15.00 H new ATOM 0 HG22 THR A 182 -5.883 -3.888 6.873 1.00 15.00 H new ATOM 0 HG23 THR A 182 -4.695 -4.571 5.738 1.00 15.00 H new ATOM 197 N SER A 183 -4.234 -6.916 10.249 1.00 15.00 N ATOM 198 CA SER A 183 -3.866 -8.052 11.093 1.00 15.00 C ATOM 199 C SER A 183 -4.225 -9.365 10.401 1.00 15.00 C ATOM 200 O SER A 183 -3.779 -10.441 10.798 1.00 15.00 O ATOM 201 CB SER A 183 -4.567 -7.959 12.456 1.00 15.00 C ATOM 202 OG SER A 183 -4.140 -8.991 13.331 1.00 15.00 O ATOM 0 H SER A 183 -4.974 -6.329 10.633 1.00 15.00 H new ATOM 0 HA SER A 183 -2.789 -8.026 11.256 1.00 15.00 H new ATOM 0 HB2 SER A 183 -4.360 -6.989 12.907 1.00 15.00 H new ATOM 0 HB3 SER A 183 -5.646 -8.022 12.317 1.00 15.00 H new ATOM 0 HG SER A 183 -3.967 -9.806 12.815 1.00 15.00 H new ATOM 208 N SER A 184 -5.048 -9.255 9.371 1.00 15.00 N ATOM 209 CA SER A 184 -5.399 -10.373 8.509 1.00 15.00 C ATOM 210 C SER A 184 -4.163 -10.891 7.769 1.00 15.00 C ATOM 211 O SER A 184 -4.178 -11.971 7.182 1.00 15.00 O ATOM 212 CB SER A 184 -6.475 -9.935 7.522 1.00 15.00 C ATOM 213 OG SER A 184 -7.480 -9.181 8.184 1.00 15.00 O ATOM 0 H SER A 184 -5.496 -8.378 9.107 1.00 15.00 H new ATOM 0 HA SER A 184 -5.788 -11.187 9.120 1.00 15.00 H new ATOM 0 HB2 SER A 184 -6.027 -9.337 6.728 1.00 15.00 H new ATOM 0 HB3 SER A 184 -6.921 -10.810 7.049 1.00 15.00 H new ATOM 0 HG SER A 184 -8.162 -8.906 7.537 1.00 15.00 H new ATOM 219 N GLY A 185 -3.103 -10.089 7.790 1.00 15.00 N ATOM 220 CA GLY A 185 -1.893 -10.411 7.066 1.00 15.00 C ATOM 221 C GLY A 185 -1.913 -9.848 5.667 1.00 15.00 C ATOM 222 O GLY A 185 -1.347 -10.426 4.742 1.00 15.00 O ATOM 0 H GLY A 185 -3.065 -9.209 8.305 1.00 15.00 H new ATOM 0 HA2 GLY A 185 -1.031 -10.017 7.604 1.00 15.00 H new ATOM 0 HA3 GLY A 185 -1.773 -11.493 7.021 1.00 15.00 H new ATOM 226 N GLN A 186 -2.557 -8.699 5.519 1.00 15.00 N ATOM 227 CA GLN A 186 -2.567 -7.996 4.247 1.00 15.00 C ATOM 228 C GLN A 186 -1.727 -6.737 4.355 1.00 15.00 C ATOM 229 O GLN A 186 -2.094 -5.786 5.047 1.00 15.00 O ATOM 230 CB GLN A 186 -3.994 -7.645 3.812 1.00 15.00 C ATOM 231 CG GLN A 186 -4.843 -8.856 3.461 1.00 15.00 C ATOM 232 CD GLN A 186 -6.298 -8.501 3.217 1.00 15.00 C ATOM 233 OE1 GLN A 186 -7.112 -8.498 4.139 1.00 15.00 O ATOM 234 NE2 GLN A 186 -6.639 -8.204 1.971 1.00 15.00 N ATOM 0 H GLN A 186 -3.078 -8.236 6.263 1.00 15.00 H new ATOM 0 HA GLN A 186 -2.143 -8.654 3.489 1.00 15.00 H new ATOM 0 HB2 GLN A 186 -4.482 -7.090 4.613 1.00 15.00 H new ATOM 0 HB3 GLN A 186 -3.948 -6.982 2.948 1.00 15.00 H new ATOM 0 HG2 GLN A 186 -4.436 -9.334 2.570 1.00 15.00 H new ATOM 0 HG3 GLN A 186 -4.782 -9.584 4.270 1.00 15.00 H new ATOM 0 HE21 GLN A 186 -5.935 -8.217 1.233 1.00 15.00 H new ATOM 0 HE22 GLN A 186 -7.605 -7.962 1.750 1.00 15.00 H new ATOM 243 N ARG A 187 -0.586 -6.749 3.694 1.00 15.00 N ATOM 244 CA ARG A 187 0.318 -5.616 3.710 1.00 15.00 C ATOM 245 C ARG A 187 0.235 -4.887 2.376 1.00 15.00 C ATOM 246 O ARG A 187 0.846 -5.297 1.393 1.00 15.00 O ATOM 247 CB ARG A 187 1.756 -6.076 4.005 1.00 15.00 C ATOM 248 CG ARG A 187 2.256 -7.169 3.068 1.00 15.00 C ATOM 249 CD ARG A 187 3.546 -7.801 3.559 1.00 15.00 C ATOM 250 NE ARG A 187 4.658 -6.856 3.613 1.00 15.00 N ATOM 251 CZ ARG A 187 5.776 -7.076 4.303 1.00 15.00 C ATOM 252 NH1 ARG A 187 5.928 -8.211 4.976 1.00 15.00 N1+ ATOM 253 NH2 ARG A 187 6.747 -6.179 4.303 1.00 15.00 N ATOM 0 H ARG A 187 -0.261 -7.538 3.135 1.00 15.00 H new ATOM 0 HA ARG A 187 0.025 -4.929 4.504 1.00 15.00 H new ATOM 0 HB2 ARG A 187 2.424 -5.217 3.936 1.00 15.00 H new ATOM 0 HB3 ARG A 187 1.808 -6.438 5.032 1.00 15.00 H new ATOM 0 HG2 ARG A 187 1.491 -7.939 2.970 1.00 15.00 H new ATOM 0 HG3 ARG A 187 2.415 -6.749 2.075 1.00 15.00 H new ATOM 0 HD2 ARG A 187 3.384 -8.221 4.552 1.00 15.00 H new ATOM 0 HD3 ARG A 187 3.812 -8.629 2.902 1.00 15.00 H new ATOM 0 HE ARG A 187 4.574 -5.981 3.095 1.00 15.00 H new ATOM 0 HH11 ARG A 187 5.189 -8.914 4.964 1.00 15.00 H new ATOM 0 HH12 ARG A 187 6.784 -8.380 5.504 1.00 15.00 H new ATOM 0 HH21 ARG A 187 6.642 -5.314 3.773 1.00 15.00 H new ATOM 0 HH22 ARG A 187 7.601 -6.352 4.833 1.00 15.00 H new ATOM 267 N TYR A 188 -0.566 -3.841 2.320 1.00 15.00 N ATOM 268 CA TYR A 188 -0.772 -3.152 1.069 1.00 15.00 C ATOM 269 C TYR A 188 -0.067 -1.810 1.073 1.00 15.00 C ATOM 270 O TYR A 188 -0.039 -1.094 2.082 1.00 15.00 O ATOM 271 CB TYR A 188 -2.268 -3.001 0.758 1.00 15.00 C ATOM 272 CG TYR A 188 -3.071 -2.239 1.792 1.00 15.00 C ATOM 273 CD1 TYR A 188 -2.919 -0.869 1.959 1.00 15.00 C ATOM 274 CD2 TYR A 188 -3.993 -2.899 2.589 1.00 15.00 C ATOM 275 CE1 TYR A 188 -3.656 -0.181 2.897 1.00 15.00 C ATOM 276 CE2 TYR A 188 -4.739 -2.214 3.533 1.00 15.00 C ATOM 277 CZ TYR A 188 -4.563 -0.858 3.683 1.00 15.00 C ATOM 278 OH TYR A 188 -5.306 -0.171 4.617 1.00 15.00 O ATOM 0 H TYR A 188 -1.076 -3.457 3.115 1.00 15.00 H new ATOM 0 HA TYR A 188 -0.335 -3.756 0.274 1.00 15.00 H new ATOM 0 HB2 TYR A 188 -2.373 -2.497 -0.203 1.00 15.00 H new ATOM 0 HB3 TYR A 188 -2.701 -3.995 0.646 1.00 15.00 H new ATOM 0 HD1 TYR A 188 -2.211 -0.334 1.343 1.00 15.00 H new ATOM 0 HD2 TYR A 188 -4.132 -3.964 2.472 1.00 15.00 H new ATOM 0 HE1 TYR A 188 -3.524 0.884 3.016 1.00 15.00 H new ATOM 0 HE2 TYR A 188 -5.454 -2.741 4.147 1.00 15.00 H new ATOM 0 HH TYR A 188 -5.899 -0.795 5.086 1.00 15.00 H new ATOM 288 N PHE A 189 0.508 -1.486 -0.063 1.00 15.00 N ATOM 289 CA PHE A 189 1.182 -0.227 -0.240 1.00 15.00 C ATOM 290 C PHE A 189 0.657 0.448 -1.495 1.00 15.00 C ATOM 291 O PHE A 189 0.711 -0.113 -2.586 1.00 15.00 O ATOM 292 CB PHE A 189 2.695 -0.443 -0.331 1.00 15.00 C ATOM 293 CG PHE A 189 3.265 -1.226 0.819 1.00 15.00 C ATOM 294 CD1 PHE A 189 3.356 -0.663 2.078 1.00 15.00 C ATOM 295 CD2 PHE A 189 3.708 -2.524 0.638 1.00 15.00 C ATOM 296 CE1 PHE A 189 3.880 -1.379 3.139 1.00 15.00 C ATOM 297 CE2 PHE A 189 4.233 -3.244 1.693 1.00 15.00 C ATOM 298 CZ PHE A 189 4.318 -2.671 2.945 1.00 15.00 C ATOM 0 H PHE A 189 0.520 -2.088 -0.886 1.00 15.00 H new ATOM 0 HA PHE A 189 0.986 0.416 0.618 1.00 15.00 H new ATOM 0 HB2 PHE A 189 2.923 -0.963 -1.261 1.00 15.00 H new ATOM 0 HB3 PHE A 189 3.189 0.527 -0.379 1.00 15.00 H new ATOM 0 HD1 PHE A 189 3.014 0.349 2.235 1.00 15.00 H new ATOM 0 HD2 PHE A 189 3.643 -2.979 -0.339 1.00 15.00 H new ATOM 0 HE1 PHE A 189 3.946 -0.926 4.117 1.00 15.00 H new ATOM 0 HE2 PHE A 189 4.577 -4.256 1.538 1.00 15.00 H new ATOM 0 HZ PHE A 189 4.727 -3.234 3.771 1.00 15.00 H new ATOM 308 N LEU A 190 0.126 1.641 -1.335 1.00 15.00 N ATOM 309 CA LEU A 190 -0.398 2.394 -2.462 1.00 15.00 C ATOM 310 C LEU A 190 0.681 3.260 -3.082 1.00 15.00 C ATOM 311 O LEU A 190 1.427 3.916 -2.361 1.00 15.00 O ATOM 312 CB LEU A 190 -1.514 3.335 -2.023 1.00 15.00 C ATOM 313 CG LEU A 190 -2.944 2.817 -2.044 1.00 15.00 C ATOM 314 CD1 LEU A 190 -3.842 3.930 -2.565 1.00 15.00 C ATOM 315 CD2 LEU A 190 -3.081 1.564 -2.900 1.00 15.00 C ATOM 0 H LEU A 190 0.044 2.114 -0.435 1.00 15.00 H new ATOM 0 HA LEU A 190 -0.770 1.661 -3.178 1.00 15.00 H new ATOM 0 HB2 LEU A 190 -1.293 3.661 -1.007 1.00 15.00 H new ATOM 0 HB3 LEU A 190 -1.472 4.220 -2.658 1.00 15.00 H new ATOM 0 HG LEU A 190 -3.239 2.534 -1.034 1.00 15.00 H new ATOM 0 HD11 LEU A 190 -4.875 3.583 -2.590 1.00 15.00 H new ATOM 0 HD12 LEU A 190 -3.766 4.796 -1.908 1.00 15.00 H new ATOM 0 HD13 LEU A 190 -3.529 4.209 -3.571 1.00 15.00 H new ATOM 0 HD21 LEU A 190 -4.117 1.227 -2.888 1.00 15.00 H new ATOM 0 HD22 LEU A 190 -2.784 1.789 -3.924 1.00 15.00 H new ATOM 0 HD23 LEU A 190 -2.439 0.779 -2.501 1.00 15.00 H new ATOM 327 N ASN A 191 0.739 3.318 -4.402 1.00 15.00 N ATOM 328 CA ASN A 191 1.548 4.324 -5.047 1.00 15.00 C ATOM 329 C ASN A 191 0.679 5.543 -5.259 1.00 15.00 C ATOM 330 O ASN A 191 -0.102 5.584 -6.211 1.00 15.00 O ATOM 331 CB ASN A 191 2.100 3.865 -6.405 1.00 15.00 C ATOM 332 CG ASN A 191 2.861 2.556 -6.359 1.00 15.00 C ATOM 333 OD1 ASN A 191 2.503 1.631 -5.630 1.00 15.00 O ATOM 334 ND2 ASN A 191 3.929 2.473 -7.137 1.00 15.00 N ATOM 0 H ASN A 191 0.243 2.690 -5.034 1.00 15.00 H new ATOM 0 HA ASN A 191 2.406 4.534 -4.409 1.00 15.00 H new ATOM 0 HB2 ASN A 191 1.271 3.765 -7.106 1.00 15.00 H new ATOM 0 HB3 ASN A 191 2.758 4.640 -6.797 1.00 15.00 H new ATOM 0 HD21 ASN A 191 4.488 1.620 -7.146 1.00 15.00 H new ATOM 0 HD22 ASN A 191 4.193 3.262 -7.727 1.00 15.00 H new ATOM 341 N HIS A 192 0.774 6.511 -4.347 1.00 15.00 N ATOM 342 CA HIS A 192 -0.036 7.729 -4.432 1.00 15.00 C ATOM 343 C HIS A 192 0.439 8.596 -5.600 1.00 15.00 C ATOM 344 O HIS A 192 -0.142 9.640 -5.898 1.00 15.00 O ATOM 345 CB HIS A 192 0.032 8.539 -3.126 1.00 15.00 C ATOM 346 CG HIS A 192 -1.125 8.317 -2.184 1.00 15.00 C ATOM 347 ND1 HIS A 192 -2.324 8.993 -2.283 1.00 15.00 N ATOM 348 CD2 HIS A 192 -1.245 7.515 -1.099 1.00 15.00 C ATOM 349 CE1 HIS A 192 -3.124 8.619 -1.302 1.00 15.00 C ATOM 350 NE2 HIS A 192 -2.497 7.724 -0.566 1.00 15.00 N ATOM 0 H HIS A 192 1.401 6.477 -3.543 1.00 15.00 H new ATOM 0 HA HIS A 192 -1.071 7.430 -4.596 1.00 15.00 H new ATOM 0 HB2 HIS A 192 0.958 8.289 -2.608 1.00 15.00 H new ATOM 0 HB3 HIS A 192 0.082 9.599 -3.374 1.00 15.00 H new ATOM 0 HD2 HIS A 192 -0.495 6.836 -0.721 1.00 15.00 H new ATOM 0 HE1 HIS A 192 -4.125 8.985 -1.131 1.00 15.00 H new ATOM 0 HE2 HIS A 192 -2.876 7.263 0.261 1.00 15.00 H new ATOM 359 N ILE A 193 1.522 8.162 -6.233 1.00 15.00 N ATOM 360 CA ILE A 193 2.069 8.840 -7.396 1.00 15.00 C ATOM 361 C ILE A 193 1.676 8.103 -8.677 1.00 15.00 C ATOM 362 O ILE A 193 1.247 8.717 -9.655 1.00 15.00 O ATOM 363 CB ILE A 193 3.611 8.921 -7.311 1.00 15.00 C ATOM 364 CG1 ILE A 193 4.040 9.584 -5.996 1.00 15.00 C ATOM 365 CG2 ILE A 193 4.178 9.683 -8.503 1.00 15.00 C ATOM 366 CD1 ILE A 193 5.539 9.583 -5.773 1.00 15.00 C ATOM 0 H ILE A 193 2.043 7.331 -5.953 1.00 15.00 H new ATOM 0 HA ILE A 193 1.659 9.850 -7.416 1.00 15.00 H new ATOM 0 HB ILE A 193 4.009 7.907 -7.334 1.00 15.00 H new ATOM 0 HG12 ILE A 193 3.681 10.613 -5.984 1.00 15.00 H new ATOM 0 HG13 ILE A 193 3.558 9.068 -5.165 1.00 15.00 H new ATOM 0 HG21 ILE A 193 5.264 9.728 -8.423 1.00 15.00 H new ATOM 0 HG22 ILE A 193 3.903 9.172 -9.426 1.00 15.00 H new ATOM 0 HG23 ILE A 193 3.773 10.695 -8.514 1.00 15.00 H new ATOM 0 HD11 ILE A 193 5.766 10.068 -4.824 1.00 15.00 H new ATOM 0 HD12 ILE A 193 5.903 8.556 -5.752 1.00 15.00 H new ATOM 0 HD13 ILE A 193 6.028 10.124 -6.583 1.00 15.00 H new ATOM 378 N ASP A 194 1.813 6.782 -8.657 1.00 15.00 N ATOM 379 CA ASP A 194 1.558 5.961 -9.840 1.00 15.00 C ATOM 380 C ASP A 194 0.079 5.624 -9.981 1.00 15.00 C ATOM 381 O ASP A 194 -0.356 5.167 -11.039 1.00 15.00 O ATOM 382 CB ASP A 194 2.366 4.659 -9.784 1.00 15.00 C ATOM 383 CG ASP A 194 3.860 4.887 -9.678 1.00 15.00 C ATOM 384 OD1 ASP A 194 4.519 5.044 -10.727 1.00 15.00 O ATOM 385 OD2 ASP A 194 4.386 4.891 -8.545 1.00 15.00 O1- ATOM 0 H ASP A 194 2.100 6.253 -7.833 1.00 15.00 H new ATOM 0 HA ASP A 194 1.868 6.546 -10.706 1.00 15.00 H new ATOM 0 HB2 ASP A 194 2.034 4.069 -8.930 1.00 15.00 H new ATOM 0 HB3 ASP A 194 2.157 4.071 -10.678 1.00 15.00 H new ATOM 390 N GLN A 195 -0.684 5.831 -8.905 1.00 15.00 N ATOM 391 CA GLN A 195 -2.104 5.483 -8.874 1.00 15.00 C ATOM 392 C GLN A 195 -2.265 3.973 -9.035 1.00 15.00 C ATOM 393 O GLN A 195 -3.111 3.482 -9.786 1.00 15.00 O ATOM 394 CB GLN A 195 -2.872 6.266 -9.962 1.00 15.00 C ATOM 395 CG GLN A 195 -4.374 6.013 -9.983 1.00 15.00 C ATOM 396 CD GLN A 195 -5.139 7.081 -10.740 1.00 15.00 C ATOM 397 OE1 GLN A 195 -5.323 6.991 -11.952 1.00 15.00 O ATOM 398 NE2 GLN A 195 -5.603 8.088 -10.021 1.00 15.00 N ATOM 0 H GLN A 195 -0.337 6.241 -8.038 1.00 15.00 H new ATOM 0 HA GLN A 195 -2.531 5.766 -7.912 1.00 15.00 H new ATOM 0 HB2 GLN A 195 -2.698 7.332 -9.815 1.00 15.00 H new ATOM 0 HB3 GLN A 195 -2.459 6.007 -10.937 1.00 15.00 H new ATOM 0 HG2 GLN A 195 -4.568 5.042 -10.438 1.00 15.00 H new ATOM 0 HG3 GLN A 195 -4.744 5.964 -8.959 1.00 15.00 H new ATOM 0 HE21 GLN A 195 -5.426 8.122 -9.017 1.00 15.00 H new ATOM 0 HE22 GLN A 195 -6.138 8.831 -10.470 1.00 15.00 H new ATOM 407 N THR A 196 -1.456 3.236 -8.293 1.00 15.00 N ATOM 408 CA THR A 196 -1.504 1.786 -8.347 1.00 15.00 C ATOM 409 C THR A 196 -1.570 1.185 -6.946 1.00 15.00 C ATOM 410 O THR A 196 -1.069 1.769 -5.981 1.00 15.00 O ATOM 411 CB THR A 196 -0.287 1.203 -9.096 1.00 15.00 C ATOM 412 OG1 THR A 196 0.926 1.665 -8.501 1.00 15.00 O ATOM 413 CG2 THR A 196 -0.301 1.591 -10.566 1.00 15.00 C ATOM 0 H THR A 196 -0.762 3.616 -7.649 1.00 15.00 H new ATOM 0 HA THR A 196 -2.409 1.522 -8.894 1.00 15.00 H new ATOM 0 HB THR A 196 -0.346 0.117 -9.022 1.00 15.00 H new ATOM 0 HG1 THR A 196 1.691 1.288 -8.983 1.00 15.00 H new ATOM 0 HG21 THR A 196 0.570 1.164 -11.063 1.00 15.00 H new ATOM 0 HG22 THR A 196 -1.209 1.211 -11.034 1.00 15.00 H new ATOM 0 HG23 THR A 196 -0.274 2.677 -10.656 1.00 15.00 H new ATOM 421 N THR A 197 -2.211 0.033 -6.843 1.00 15.00 N ATOM 422 CA THR A 197 -2.305 -0.684 -5.585 1.00 15.00 C ATOM 423 C THR A 197 -1.296 -1.830 -5.557 1.00 15.00 C ATOM 424 O THR A 197 -1.388 -2.771 -6.348 1.00 15.00 O ATOM 425 CB THR A 197 -3.728 -1.237 -5.383 1.00 15.00 C ATOM 426 OG1 THR A 197 -4.691 -0.197 -5.608 1.00 15.00 O ATOM 427 CG2 THR A 197 -3.900 -1.791 -3.976 1.00 15.00 C ATOM 0 H THR A 197 -2.678 -0.428 -7.624 1.00 15.00 H new ATOM 0 HA THR A 197 -2.081 0.010 -4.775 1.00 15.00 H new ATOM 0 HB THR A 197 -3.885 -2.045 -6.098 1.00 15.00 H new ATOM 0 HG1 THR A 197 -5.594 -0.554 -5.480 1.00 15.00 H new ATOM 0 HG21 THR A 197 -4.913 -2.176 -3.858 1.00 15.00 H new ATOM 0 HG22 THR A 197 -3.184 -2.597 -3.812 1.00 15.00 H new ATOM 0 HG23 THR A 197 -3.726 -0.998 -3.249 1.00 15.00 H new ATOM 435 N THR A 198 -0.332 -1.742 -4.657 1.00 15.00 N ATOM 436 CA THR A 198 0.751 -2.707 -4.594 1.00 15.00 C ATOM 437 C THR A 198 0.554 -3.696 -3.434 1.00 15.00 C ATOM 438 O THR A 198 0.351 -3.281 -2.291 1.00 15.00 O ATOM 439 CB THR A 198 2.093 -1.961 -4.430 1.00 15.00 C ATOM 440 OG1 THR A 198 2.282 -1.060 -5.527 1.00 15.00 O ATOM 441 CG2 THR A 198 3.267 -2.917 -4.360 1.00 15.00 C ATOM 0 H THR A 198 -0.278 -1.005 -3.954 1.00 15.00 H new ATOM 0 HA THR A 198 0.757 -3.279 -5.522 1.00 15.00 H new ATOM 0 HB THR A 198 2.050 -1.410 -3.491 1.00 15.00 H new ATOM 0 HG1 THR A 198 2.316 -0.140 -5.192 1.00 15.00 H new ATOM 0 HG21 THR A 198 4.191 -2.351 -4.245 1.00 15.00 H new ATOM 0 HG22 THR A 198 3.142 -3.585 -3.508 1.00 15.00 H new ATOM 0 HG23 THR A 198 3.313 -3.504 -5.277 1.00 15.00 H new ATOM 449 N TRP A 199 0.598 -5.002 -3.730 1.00 15.00 N ATOM 450 CA TRP A 199 0.493 -6.031 -2.696 1.00 15.00 C ATOM 451 C TRP A 199 1.865 -6.358 -2.107 1.00 15.00 C ATOM 452 O TRP A 199 1.975 -6.763 -0.952 1.00 15.00 O ATOM 453 CB TRP A 199 -0.080 -7.339 -3.253 1.00 15.00 C ATOM 454 CG TRP A 199 -1.570 -7.516 -3.180 1.00 15.00 C ATOM 455 CD1 TRP A 199 -2.373 -7.959 -4.192 1.00 15.00 C ATOM 456 CD2 TRP A 199 -2.441 -7.280 -2.063 1.00 15.00 C ATOM 457 NE1 TRP A 199 -3.663 -8.079 -3.762 1.00 15.00 N ATOM 458 CE2 TRP A 199 -3.731 -7.668 -2.470 1.00 15.00 C ATOM 459 CE3 TRP A 199 -2.274 -6.801 -0.757 1.00 15.00 C ATOM 460 CZ2 TRP A 199 -4.820 -7.608 -1.635 1.00 15.00 C ATOM 461 CZ3 TRP A 199 -3.394 -6.714 0.060 1.00 15.00 C ATOM 462 CH2 TRP A 199 -4.649 -7.137 -0.402 1.00 15.00 C ATOM 0 H TRP A 199 0.705 -5.367 -4.676 1.00 15.00 H new ATOM 0 HA TRP A 199 -0.171 -5.626 -1.932 1.00 15.00 H new ATOM 0 HB2 TRP A 199 0.220 -7.423 -4.297 1.00 15.00 H new ATOM 0 HB3 TRP A 199 0.386 -8.167 -2.720 1.00 15.00 H new ATOM 0 HD1 TRP A 199 -2.035 -8.183 -5.193 1.00 15.00 H new ATOM 0 HE1 TRP A 199 -4.446 -8.421 -4.319 1.00 15.00 H new ATOM 0 HE3 TRP A 199 -1.300 -6.507 -0.395 1.00 15.00 H new ATOM 0 HZ2 TRP A 199 -5.793 -7.936 -1.971 1.00 15.00 H new ATOM 0 HZ3 TRP A 199 -3.298 -6.317 1.060 1.00 15.00 H new ATOM 0 HH2 TRP A 199 -5.500 -7.079 0.261 1.00 15.00 H new ATOM 473 N GLN A 200 2.904 -6.234 -2.929 1.00 15.00 N ATOM 474 CA GLN A 200 4.243 -6.672 -2.540 1.00 15.00 C ATOM 475 C GLN A 200 5.068 -5.504 -2.022 1.00 15.00 C ATOM 476 O GLN A 200 5.017 -4.410 -2.574 1.00 15.00 O ATOM 477 CB GLN A 200 4.956 -7.319 -3.731 1.00 15.00 C ATOM 478 CG GLN A 200 4.157 -8.427 -4.404 1.00 15.00 C ATOM 479 CD GLN A 200 3.736 -9.537 -3.453 1.00 15.00 C ATOM 480 OE1 GLN A 200 4.537 -9.801 -2.431 1.00 15.00 O flip ATOM 481 NE2 GLN A 200 2.694 -10.164 -3.649 1.00 15.00 N flip ATOM 0 H GLN A 200 2.846 -5.835 -3.866 1.00 15.00 H new ATOM 0 HA GLN A 200 4.139 -7.405 -1.741 1.00 15.00 H new ATOM 0 HB2 GLN A 200 5.182 -6.549 -4.468 1.00 15.00 H new ATOM 0 HB3 GLN A 200 5.909 -7.726 -3.393 1.00 15.00 H new ATOM 0 HG2 GLN A 200 3.267 -7.995 -4.862 1.00 15.00 H new ATOM 0 HG3 GLN A 200 4.753 -8.856 -5.209 1.00 15.00 H new ATOM 0 HE21 GLN A 200 2.102 -9.933 -4.447 1.00 15.00 H new ATOM 0 HE22 GLN A 200 2.423 -10.915 -3.014 1.00 15.00 H new ATOM 490 N ASP A 201 5.861 -5.757 -0.992 1.00 15.00 N ATOM 491 CA ASP A 201 6.639 -4.710 -0.339 1.00 15.00 C ATOM 492 C ASP A 201 7.710 -4.150 -1.282 1.00 15.00 C ATOM 493 O ASP A 201 8.636 -4.857 -1.669 1.00 15.00 O ATOM 494 CB ASP A 201 7.290 -5.272 0.924 1.00 15.00 C ATOM 495 CG ASP A 201 7.837 -4.191 1.829 1.00 15.00 C ATOM 496 OD1 ASP A 201 8.860 -3.572 1.479 1.00 15.00 O ATOM 497 OD2 ASP A 201 7.248 -3.970 2.910 1.00 15.00 O1- ATOM 0 H ASP A 201 5.984 -6.685 -0.586 1.00 15.00 H new ATOM 0 HA ASP A 201 5.969 -3.893 -0.071 1.00 15.00 H new ATOM 0 HB2 ASP A 201 6.557 -5.863 1.473 1.00 15.00 H new ATOM 0 HB3 ASP A 201 8.098 -5.947 0.642 1.00 15.00 H new ATOM 502 N PRO A 202 7.583 -2.869 -1.679 1.00 15.00 N ATOM 503 CA PRO A 202 8.503 -2.232 -2.630 1.00 15.00 C ATOM 504 C PRO A 202 9.960 -2.163 -2.158 1.00 15.00 C ATOM 505 O PRO A 202 10.858 -1.904 -2.958 1.00 15.00 O ATOM 506 CB PRO A 202 7.944 -0.816 -2.812 1.00 15.00 C ATOM 507 CG PRO A 202 6.980 -0.600 -1.693 1.00 15.00 C ATOM 508 CD PRO A 202 6.498 -1.961 -1.272 1.00 15.00 C ATOM 0 HA PRO A 202 8.548 -2.819 -3.548 1.00 15.00 H new ATOM 0 HB2 PRO A 202 8.744 -0.076 -2.785 1.00 15.00 H new ATOM 0 HB3 PRO A 202 7.448 -0.715 -3.777 1.00 15.00 H new ATOM 0 HG2 PRO A 202 7.461 -0.085 -0.861 1.00 15.00 H new ATOM 0 HG3 PRO A 202 6.146 0.024 -2.015 1.00 15.00 H new ATOM 0 HD2 PRO A 202 6.322 -2.007 -0.197 1.00 15.00 H new ATOM 0 HD3 PRO A 202 5.558 -2.219 -1.760 1.00 15.00 H new ATOM 516 N ARG A 203 10.203 -2.384 -0.871 1.00 15.00 N ATOM 517 CA ARG A 203 11.547 -2.218 -0.318 1.00 15.00 C ATOM 518 C ARG A 203 12.485 -3.353 -0.724 1.00 15.00 C ATOM 519 O ARG A 203 13.702 -3.243 -0.564 1.00 15.00 O ATOM 520 CB ARG A 203 11.501 -2.096 1.203 1.00 15.00 C ATOM 521 CG ARG A 203 10.821 -0.828 1.688 1.00 15.00 C ATOM 522 CD ARG A 203 10.588 -0.868 3.187 1.00 15.00 C ATOM 523 NE ARG A 203 9.695 -1.961 3.561 1.00 15.00 N ATOM 524 CZ ARG A 203 9.668 -2.536 4.760 1.00 15.00 C ATOM 525 NH1 ARG A 203 10.578 -2.229 5.678 1.00 15.00 N1+ ATOM 526 NH2 ARG A 203 8.750 -3.457 5.016 1.00 15.00 N ATOM 0 H ARG A 203 9.497 -2.676 -0.195 1.00 15.00 H new ATOM 0 HA ARG A 203 11.945 -1.294 -0.737 1.00 15.00 H new ATOM 0 HB2 ARG A 203 10.977 -2.959 1.613 1.00 15.00 H new ATOM 0 HB3 ARG A 203 12.518 -2.125 1.593 1.00 15.00 H new ATOM 0 HG2 ARG A 203 11.435 0.036 1.436 1.00 15.00 H new ATOM 0 HG3 ARG A 203 9.869 -0.703 1.173 1.00 15.00 H new ATOM 0 HD2 ARG A 203 11.542 -0.984 3.702 1.00 15.00 H new ATOM 0 HD3 ARG A 203 10.162 0.080 3.515 1.00 15.00 H new ATOM 0 HE ARG A 203 9.047 -2.308 2.854 1.00 15.00 H new ATOM 0 HH11 ARG A 203 11.306 -1.547 5.466 1.00 15.00 H new ATOM 0 HH12 ARG A 203 10.549 -2.676 6.595 1.00 15.00 H new ATOM 0 HH21 ARG A 203 8.075 -3.717 4.297 1.00 15.00 H new ATOM 0 HH22 ARG A 203 8.719 -3.905 5.932 1.00 15.00 H new ATOM 540 N LYS A 204 11.928 -4.451 -1.230 1.00 15.00 N ATOM 541 CA LYS A 204 12.748 -5.572 -1.677 1.00 15.00 C ATOM 542 C LYS A 204 13.359 -5.288 -3.050 1.00 15.00 C ATOM 543 O LYS A 204 14.286 -5.980 -3.481 1.00 15.00 O ATOM 544 CB LYS A 204 11.948 -6.889 -1.682 1.00 15.00 C ATOM 545 CG LYS A 204 10.646 -6.857 -2.475 1.00 15.00 C ATOM 546 CD LYS A 204 10.872 -6.932 -3.977 1.00 15.00 C ATOM 547 CE LYS A 204 9.571 -6.761 -4.741 1.00 15.00 C ATOM 548 NZ LYS A 204 9.794 -6.707 -6.210 1.00 15.00 N1+ ATOM 0 H LYS A 204 10.923 -4.587 -1.340 1.00 15.00 H new ATOM 0 HA LYS A 204 13.565 -5.691 -0.965 1.00 15.00 H new ATOM 0 HB2 LYS A 204 12.581 -7.678 -2.087 1.00 15.00 H new ATOM 0 HB3 LYS A 204 11.720 -7.160 -0.651 1.00 15.00 H new ATOM 0 HG2 LYS A 204 10.016 -7.690 -2.164 1.00 15.00 H new ATOM 0 HG3 LYS A 204 10.104 -5.942 -2.239 1.00 15.00 H new ATOM 0 HD2 LYS A 204 11.578 -6.159 -4.280 1.00 15.00 H new ATOM 0 HD3 LYS A 204 11.322 -7.892 -4.232 1.00 15.00 H new ATOM 0 HE2 LYS A 204 8.900 -7.587 -4.506 1.00 15.00 H new ATOM 0 HE3 LYS A 204 9.076 -5.846 -4.415 1.00 15.00 H new ATOM 0 HZ1 LYS A 204 8.909 -6.439 -6.686 1.00 15.00 H new ATOM 0 HZ2 LYS A 204 10.529 -6.003 -6.424 1.00 15.00 H new ATOM 0 HZ3 LYS A 204 10.100 -7.641 -6.549 1.00 15.00 H new ATOM 562 N ALA A 205 12.818 -4.267 -3.724 1.00 15.00 N ATOM 563 CA ALA A 205 13.257 -3.869 -5.062 1.00 15.00 C ATOM 564 C ALA A 205 12.972 -4.969 -6.082 1.00 15.00 C ATOM 565 O ALA A 205 11.828 -5.029 -6.579 1.00 15.00 O ATOM 566 CB ALA A 205 14.732 -3.480 -5.069 1.00 15.00 C ATOM 567 OXT ALA A 205 13.880 -5.768 -6.384 1.00 15.00 O ATOM 0 H ALA A 205 12.061 -3.693 -3.354 1.00 15.00 H new ATOM 0 HA ALA A 205 12.683 -2.988 -5.351 1.00 15.00 H new ATOM 0 HB1 ALA A 205 15.027 -3.190 -6.077 1.00 15.00 H new ATOM 0 HB2 ALA A 205 14.891 -2.643 -4.389 1.00 15.00 H new ATOM 0 HB3 ALA A 205 15.334 -4.329 -4.745 1.00 15.00 H new TER 573 ALA A 205 ATOM 574 N GLY B 204 -4.921 -16.526 -4.672 1.00 15.00 N ATOM 575 CA GLY B 204 -3.973 -15.423 -4.391 1.00 15.00 C ATOM 576 C GLY B 204 -4.490 -14.498 -3.311 1.00 15.00 C ATOM 577 O GLY B 204 -5.053 -14.951 -2.310 1.00 15.00 O ATOM 0 HA2 GLY B 204 -3.013 -15.838 -4.085 1.00 15.00 H new ATOM 0 HA3 GLY B 204 -3.797 -14.854 -5.304 1.00 15.00 H new ATOM 583 N GLU B 205 -4.317 -13.203 -3.513 1.00 15.00 N ATOM 584 CA GLU B 205 -4.791 -12.215 -2.558 1.00 15.00 C ATOM 585 C GLU B 205 -6.214 -11.802 -2.904 1.00 15.00 C ATOM 586 O GLU B 205 -6.609 -11.803 -4.071 1.00 15.00 O ATOM 587 CB GLU B 205 -3.890 -10.975 -2.538 1.00 15.00 C ATOM 588 CG GLU B 205 -2.429 -11.253 -2.197 1.00 15.00 C ATOM 589 CD GLU B 205 -2.260 -12.079 -0.935 1.00 15.00 C ATOM 590 OE1 GLU B 205 -2.384 -13.320 -1.006 1.00 15.00 O1- ATOM 591 OE2 GLU B 205 -1.994 -11.496 0.133 1.00 15.00 O ATOM 0 H GLU B 205 -3.851 -12.810 -4.331 1.00 15.00 H new ATOM 0 HA GLU B 205 -4.767 -12.670 -1.568 1.00 15.00 H new ATOM 0 HB2 GLU B 205 -3.936 -10.494 -3.515 1.00 15.00 H new ATOM 0 HB3 GLU B 205 -4.289 -10.265 -1.814 1.00 15.00 H new ATOM 0 HG2 GLU B 205 -1.960 -11.775 -3.031 1.00 15.00 H new ATOM 0 HG3 GLU B 205 -1.903 -10.306 -2.077 1.00 15.00 H new ATOM 598 N SER B 206 -6.967 -11.433 -1.889 1.00 15.00 N ATOM 599 CA SER B 206 -8.330 -10.969 -2.070 1.00 15.00 C ATOM 600 C SER B 206 -8.284 -9.456 -2.277 1.00 15.00 C ATOM 601 O SER B 206 -7.424 -8.798 -1.700 1.00 15.00 O ATOM 602 CB SER B 206 -9.143 -11.333 -0.820 1.00 15.00 C ATOM 603 OG SER B 206 -10.528 -11.094 -0.997 1.00 15.00 O ATOM 0 H SER B 206 -6.655 -11.445 -0.918 1.00 15.00 H new ATOM 0 HA SER B 206 -8.803 -11.435 -2.934 1.00 15.00 H new ATOM 0 HB2 SER B 206 -8.985 -12.384 -0.579 1.00 15.00 H new ATOM 0 HB3 SER B 206 -8.781 -10.753 0.029 1.00 15.00 H new ATOM 0 HG SER B 206 -11.010 -11.340 -0.180 1.00 15.00 H new ATOM 609 N PRO B 207 -9.217 -8.882 -3.071 1.00 15.00 N ATOM 610 CA PRO B 207 -9.125 -7.485 -3.534 1.00 15.00 C ATOM 611 C PRO B 207 -8.812 -6.497 -2.415 1.00 15.00 C ATOM 612 O PRO B 207 -9.427 -6.526 -1.342 1.00 15.00 O ATOM 613 CB PRO B 207 -10.519 -7.217 -4.103 1.00 15.00 C ATOM 614 CG PRO B 207 -11.001 -8.549 -4.554 1.00 15.00 C ATOM 615 CD PRO B 207 -10.426 -9.550 -3.589 1.00 15.00 C ATOM 0 HA PRO B 207 -8.312 -7.354 -4.248 1.00 15.00 H new ATOM 0 HB2 PRO B 207 -11.180 -6.791 -3.349 1.00 15.00 H new ATOM 0 HB3 PRO B 207 -10.480 -6.508 -4.930 1.00 15.00 H new ATOM 0 HG2 PRO B 207 -12.090 -8.590 -4.554 1.00 15.00 H new ATOM 0 HG3 PRO B 207 -10.674 -8.757 -5.573 1.00 15.00 H new ATOM 0 HD2 PRO B 207 -11.128 -9.784 -2.789 1.00 15.00 H new ATOM 0 HD3 PRO B 207 -10.183 -10.490 -4.085 1.00 15.00 H new ATOM 623 N PRO B 208 -7.865 -5.581 -2.675 1.00 15.00 N ATOM 624 CA PRO B 208 -7.259 -4.687 -1.705 1.00 15.00 C ATOM 625 C PRO B 208 -7.981 -3.332 -1.699 1.00 15.00 C ATOM 626 O PRO B 208 -8.961 -3.145 -2.426 1.00 15.00 O ATOM 627 CB PRO B 208 -5.807 -4.561 -2.265 1.00 15.00 C ATOM 628 CG PRO B 208 -5.852 -5.245 -3.607 1.00 15.00 C ATOM 629 CD PRO B 208 -7.294 -5.231 -3.959 1.00 15.00 C ATOM 0 HA PRO B 208 -7.302 -5.037 -0.674 1.00 15.00 H new ATOM 0 HB2 PRO B 208 -5.510 -3.517 -2.363 1.00 15.00 H new ATOM 0 HB3 PRO B 208 -5.085 -5.037 -1.602 1.00 15.00 H new ATOM 0 HG2 PRO B 208 -5.254 -4.714 -4.348 1.00 15.00 H new ATOM 0 HG3 PRO B 208 -5.463 -6.262 -3.552 1.00 15.00 H new ATOM 0 HD2 PRO B 208 -7.628 -4.256 -4.313 1.00 15.00 H new ATOM 0 HD3 PRO B 208 -7.541 -5.954 -4.737 1.00 15.00 H new ATOM 637 N PRO B 209 -7.534 -2.394 -0.855 1.00 15.00 N ATOM 638 CA PRO B 209 -8.095 -1.037 -0.790 1.00 15.00 C ATOM 639 C PRO B 209 -8.243 -0.346 -2.145 1.00 15.00 C ATOM 640 O PRO B 209 -7.400 -0.497 -3.033 1.00 15.00 O ATOM 641 CB PRO B 209 -7.048 -0.267 -0.008 1.00 15.00 C ATOM 642 CG PRO B 209 -6.328 -1.263 0.818 1.00 15.00 C ATOM 643 CD PRO B 209 -6.476 -2.599 0.148 1.00 15.00 C ATOM 0 HA PRO B 209 -9.097 -1.075 -0.363 1.00 15.00 H new ATOM 0 HB2 PRO B 209 -6.362 0.249 -0.680 1.00 15.00 H new ATOM 0 HB3 PRO B 209 -7.513 0.494 0.619 1.00 15.00 H new ATOM 0 HG2 PRO B 209 -5.275 -0.995 0.910 1.00 15.00 H new ATOM 0 HG3 PRO B 209 -6.739 -1.293 1.827 1.00 15.00 H new ATOM 0 HD2 PRO B 209 -5.543 -2.914 -0.319 1.00 15.00 H new ATOM 0 HD3 PRO B 209 -6.752 -3.373 0.864 1.00 15.00 H new ATOM 651 N PRO B 210 -9.310 0.453 -2.291 1.00 15.00 N ATOM 652 CA PRO B 210 -9.467 1.374 -3.418 1.00 15.00 C ATOM 653 C PRO B 210 -8.415 2.482 -3.364 1.00 15.00 C ATOM 654 O PRO B 210 -8.093 2.987 -2.288 1.00 15.00 O ATOM 655 CB PRO B 210 -10.872 1.964 -3.222 1.00 15.00 C ATOM 656 CG PRO B 210 -11.546 1.071 -2.236 1.00 15.00 C ATOM 657 CD PRO B 210 -10.454 0.517 -1.372 1.00 15.00 C ATOM 0 HA PRO B 210 -9.344 0.879 -4.381 1.00 15.00 H new ATOM 0 HB2 PRO B 210 -10.819 2.988 -2.852 1.00 15.00 H new ATOM 0 HB3 PRO B 210 -11.420 1.993 -4.164 1.00 15.00 H new ATOM 0 HG2 PRO B 210 -12.273 1.624 -1.641 1.00 15.00 H new ATOM 0 HG3 PRO B 210 -12.089 0.272 -2.740 1.00 15.00 H new ATOM 0 HD2 PRO B 210 -10.250 1.161 -0.517 1.00 15.00 H new ATOM 0 HD3 PRO B 210 -10.711 -0.466 -0.977 1.00 15.00 H new ATOM 665 N TYR B 211 -7.909 2.873 -4.524 1.00 15.00 N ATOM 666 CA TYR B 211 -6.824 3.849 -4.606 1.00 15.00 C ATOM 667 C TYR B 211 -7.279 5.279 -4.279 1.00 15.00 C ATOM 668 O TYR B 211 -6.443 6.157 -4.060 1.00 15.00 O ATOM 669 CB TYR B 211 -6.143 3.815 -5.992 1.00 15.00 C ATOM 670 CG TYR B 211 -5.168 4.953 -6.182 1.00 15.00 C ATOM 671 CD1 TYR B 211 -3.881 4.877 -5.675 1.00 15.00 C ATOM 672 CD2 TYR B 211 -5.556 6.128 -6.817 1.00 15.00 C ATOM 673 CE1 TYR B 211 -3.008 5.935 -5.793 1.00 15.00 C ATOM 674 CE2 TYR B 211 -4.682 7.188 -6.946 1.00 15.00 C ATOM 675 CZ TYR B 211 -3.413 7.086 -6.429 1.00 15.00 C ATOM 676 OH TYR B 211 -2.543 8.140 -6.547 1.00 15.00 O ATOM 0 H TYR B 211 -8.232 2.529 -5.428 1.00 15.00 H new ATOM 0 HA TYR B 211 -6.100 3.557 -3.845 1.00 15.00 H new ATOM 0 HB2 TYR B 211 -5.619 2.867 -6.113 1.00 15.00 H new ATOM 0 HB3 TYR B 211 -6.905 3.860 -6.770 1.00 15.00 H new ATOM 0 HD1 TYR B 211 -3.557 3.974 -5.179 1.00 15.00 H new ATOM 0 HD2 TYR B 211 -6.556 6.212 -7.215 1.00 15.00 H new ATOM 0 HE1 TYR B 211 -2.009 5.862 -5.388 1.00 15.00 H new ATOM 0 HE2 TYR B 211 -4.993 8.091 -7.450 1.00 15.00 H new ATOM 0 HH TYR B 211 -2.983 8.876 -7.022 1.00 15.00 H new ATOM 686 N SER B 212 -8.582 5.505 -4.162 1.00 15.00 N ATOM 687 CA SER B 212 -9.140 6.842 -4.364 1.00 15.00 C ATOM 688 C SER B 212 -8.533 7.863 -3.400 1.00 15.00 C ATOM 689 O SER B 212 -7.777 8.736 -3.836 1.00 15.00 O ATOM 690 CB SER B 212 -10.656 6.785 -4.189 1.00 15.00 C ATOM 691 OG SER B 212 -11.208 5.697 -4.919 1.00 15.00 O ATOM 0 H SER B 212 -9.269 4.788 -3.930 1.00 15.00 H new ATOM 0 HA SER B 212 -8.894 7.167 -5.375 1.00 15.00 H new ATOM 0 HB2 SER B 212 -10.901 6.681 -3.132 1.00 15.00 H new ATOM 0 HB3 SER B 212 -11.101 7.720 -4.529 1.00 15.00 H new ATOM 0 HG SER B 212 -12.180 5.677 -4.792 1.00 15.00 H new ATOM 697 N ARG B 213 -8.833 7.796 -2.115 1.00 15.00 N ATOM 698 CA ARG B 213 -8.102 8.637 -1.183 1.00 15.00 C ATOM 699 C ARG B 213 -7.376 7.815 -0.134 1.00 15.00 C ATOM 700 O ARG B 213 -6.149 7.707 -0.156 1.00 15.00 O ATOM 701 CB ARG B 213 -9.032 9.655 -0.523 1.00 15.00 C ATOM 702 CG ARG B 213 -9.394 10.806 -1.445 1.00 15.00 C ATOM 703 CD ARG B 213 -8.138 11.463 -1.991 1.00 15.00 C ATOM 704 NE ARG B 213 -8.428 12.526 -2.949 1.00 15.00 N ATOM 705 CZ ARG B 213 -7.874 12.601 -4.161 1.00 15.00 C ATOM 706 NH1 ARG B 213 -7.121 11.601 -4.612 1.00 15.00 N1+ ATOM 707 NH2 ARG B 213 -8.097 13.654 -4.935 1.00 15.00 N ATOM 0 H ARG B 213 -9.547 7.195 -1.704 1.00 15.00 H new ATOM 0 HA ARG B 213 -7.349 9.178 -1.756 1.00 15.00 H new ATOM 0 HB2 ARG B 213 -9.944 9.152 -0.202 1.00 15.00 H new ATOM 0 HB3 ARG B 213 -8.553 10.050 0.373 1.00 15.00 H new ATOM 0 HG2 ARG B 213 -10.008 10.441 -2.268 1.00 15.00 H new ATOM 0 HG3 ARG B 213 -9.990 11.540 -0.903 1.00 15.00 H new ATOM 0 HD2 ARG B 213 -7.559 11.873 -1.164 1.00 15.00 H new ATOM 0 HD3 ARG B 213 -7.517 10.707 -2.471 1.00 15.00 H new ATOM 0 HE ARG B 213 -9.091 13.252 -2.677 1.00 15.00 H new ATOM 0 HH11 ARG B 213 -6.967 10.777 -4.031 1.00 15.00 H new ATOM 0 HH12 ARG B 213 -6.698 11.659 -5.538 1.00 15.00 H new ATOM 0 HH21 ARG B 213 -8.694 14.412 -4.605 1.00 15.00 H new ATOM 0 HH22 ARG B 213 -7.671 13.706 -5.860 1.00 15.00 H new ATOM 721 N TYR B 214 -8.136 7.219 0.768 1.00 15.00 N ATOM 722 CA TYR B 214 -7.573 6.374 1.808 1.00 15.00 C ATOM 723 C TYR B 214 -8.144 4.966 1.711 1.00 15.00 C ATOM 724 O TYR B 214 -9.326 4.792 1.408 1.00 15.00 O ATOM 725 CB TYR B 214 -7.800 7.003 3.191 1.00 15.00 C ATOM 726 CG TYR B 214 -6.758 8.056 3.530 1.00 15.00 C ATOM 727 CD1 TYR B 214 -6.487 9.098 2.650 1.00 15.00 C ATOM 728 CD2 TYR B 214 -6.031 7.995 4.714 1.00 15.00 C ATOM 729 CE1 TYR B 214 -5.524 10.046 2.931 1.00 15.00 C ATOM 730 CE2 TYR B 214 -5.068 8.946 5.007 1.00 15.00 C ATOM 731 CZ TYR B 214 -4.817 9.968 4.111 1.00 15.00 C ATOM 732 OH TYR B 214 -3.857 10.913 4.395 1.00 15.00 O ATOM 0 H TYR B 214 -9.152 7.305 0.801 1.00 15.00 H new ATOM 0 HA TYR B 214 -6.495 6.296 1.665 1.00 15.00 H new ATOM 0 HB2 TYR B 214 -8.792 7.454 3.223 1.00 15.00 H new ATOM 0 HB3 TYR B 214 -7.781 6.221 3.950 1.00 15.00 H new ATOM 0 HD1 TYR B 214 -7.042 9.167 1.726 1.00 15.00 H new ATOM 0 HD2 TYR B 214 -6.220 7.195 5.415 1.00 15.00 H new ATOM 0 HE1 TYR B 214 -5.326 10.844 2.230 1.00 15.00 H new ATOM 0 HE2 TYR B 214 -4.515 8.889 5.933 1.00 15.00 H new ATOM 0 HH TYR B 214 -3.451 10.716 5.265 1.00 15.00 H new ATOM 742 N PRO B 215 -7.314 3.950 1.987 1.00 15.00 N ATOM 743 CA PRO B 215 -7.678 2.538 1.799 1.00 15.00 C ATOM 744 C PRO B 215 -8.885 2.086 2.613 1.00 15.00 C ATOM 745 O PRO B 215 -9.833 1.521 2.066 1.00 15.00 O ATOM 746 CB PRO B 215 -6.434 1.783 2.271 1.00 15.00 C ATOM 747 CG PRO B 215 -5.329 2.760 2.170 1.00 15.00 C ATOM 748 CD PRO B 215 -5.935 4.095 2.484 1.00 15.00 C ATOM 0 HA PRO B 215 -7.965 2.356 0.763 1.00 15.00 H new ATOM 0 HB2 PRO B 215 -6.553 1.427 3.294 1.00 15.00 H new ATOM 0 HB3 PRO B 215 -6.245 0.908 1.649 1.00 15.00 H new ATOM 0 HG2 PRO B 215 -4.529 2.519 2.870 1.00 15.00 H new ATOM 0 HG3 PRO B 215 -4.892 2.754 1.172 1.00 15.00 H new ATOM 0 HD2 PRO B 215 -5.910 4.310 3.552 1.00 15.00 H new ATOM 0 HD3 PRO B 215 -5.407 4.907 1.983 1.00 15.00 H new ATOM 756 N MET B 216 -8.845 2.319 3.915 1.00 15.00 N ATOM 757 CA MET B 216 -9.874 1.802 4.803 1.00 15.00 C ATOM 758 C MET B 216 -10.204 2.807 5.893 1.00 15.00 C ATOM 759 O MET B 216 -9.328 3.532 6.371 1.00 15.00 O ATOM 760 CB MET B 216 -9.408 0.487 5.437 1.00 15.00 C ATOM 761 CG MET B 216 -10.457 -0.166 6.324 1.00 15.00 C ATOM 762 SD MET B 216 -11.920 -0.681 5.405 1.00 15.00 S ATOM 763 CE MET B 216 -12.910 -1.396 6.715 1.00 15.00 C ATOM 0 H MET B 216 -8.115 2.860 4.379 1.00 15.00 H new ATOM 0 HA MET B 216 -10.773 1.622 4.214 1.00 15.00 H new ATOM 0 HB2 MET B 216 -9.129 -0.209 4.646 1.00 15.00 H new ATOM 0 HB3 MET B 216 -8.511 0.676 6.027 1.00 15.00 H new ATOM 0 HG2 MET B 216 -10.020 -1.033 6.819 1.00 15.00 H new ATOM 0 HG3 MET B 216 -10.752 0.533 7.107 1.00 15.00 H new ATOM 0 HE1 MET B 216 -13.851 -1.761 6.302 1.00 15.00 H new ATOM 0 HE2 MET B 216 -12.368 -2.225 7.170 1.00 15.00 H new ATOM 0 HE3 MET B 216 -13.115 -0.638 7.471 1.00 15.00 H new ATOM 773 N ASP B 217 -11.466 2.833 6.283 1.00 15.00 N ATOM 774 CA ASP B 217 -11.925 3.685 7.363 1.00 15.00 C ATOM 775 C ASP B 217 -12.999 2.966 8.163 1.00 15.00 C ATOM 776 O ASP B 217 -14.124 2.815 7.644 1.00 15.00 O ATOM 777 CB ASP B 217 -12.472 5.001 6.820 1.00 15.00 C ATOM 778 CG ASP B 217 -13.096 5.857 7.904 1.00 15.00 C ATOM 779 OD1 ASP B 217 -12.395 6.195 8.884 1.00 15.00 O ATOM 780 OD2 ASP B 217 -14.287 6.206 7.781 1.00 15.00 O1- ATOM 781 OXT ASP B 217 -12.715 2.544 9.303 1.00 15.00 O ATOM 0 H ASP B 217 -12.200 2.265 5.860 1.00 15.00 H new ATOM 0 HA ASP B 217 -11.079 3.908 8.012 1.00 15.00 H new ATOM 0 HB2 ASP B 217 -11.666 5.557 6.341 1.00 15.00 H new ATOM 0 HB3 ASP B 217 -13.216 4.793 6.051 1.00 15.00 H new TER 786 ASP B 217