USER MOD reduce.3.24.130724 H: found=0, std=0, add=373, rem=0, adj=15 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= 0.489 K(o=0.89,f=-3.4!) USER MOD Set 1.2: A 198 THR OG1 : rot 136:sc= 0.397 USER MOD Single : A 179 MET CE :methyl 168:sc= -5.63! (180deg=-6.26!) USER MOD Single : A 181 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0151) USER MOD Single : A 182 THR OG1 : rot 166:sc= -2.63! USER MOD Single : A 183 SER OG : rot 180:sc= 0 USER MOD Single : A 184 SER OG : rot 180:sc= 0.00107 USER MOD Single : A 186 GLN :FLIP amide:sc= -0.0313 F(o=-0.67,f=-0.031) USER MOD Single : A 188 TYR OH : rot 180:sc= -1.44! USER MOD Single : A 192 HIS : no HD1:sc= -0.585! C(o=-0.58!,f=-5.9!) USER MOD Single : A 195 GLN : amide:sc= -0.153 X(o=-0.15,f=0) USER MOD Single : A 196 THR OG1 : rot 180:sc= -0.372 USER MOD Single : A 197 THR OG1 : rot 180:sc= 0 USER MOD Single : A 200 GLN : amide:sc= -0.0344 X(o=-0.034,f=0) USER MOD Single : A 204 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 206 SER OG : rot 180:sc= 0 USER MOD Single : B 211 TYR OH : rot 180:sc= 0 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 160:sc= -0.128 (180deg=-0.652) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 170 12.449 7.953 6.718 1.00 15.00 N ATOM 2 CA ASP A 170 12.124 7.989 5.271 1.00 15.00 C ATOM 3 C ASP A 170 12.330 6.621 4.622 1.00 15.00 C ATOM 4 O ASP A 170 11.736 6.326 3.589 1.00 15.00 O ATOM 5 CB ASP A 170 12.977 9.040 4.549 1.00 15.00 C ATOM 6 CG ASP A 170 14.460 8.728 4.602 1.00 15.00 C ATOM 7 OD1 ASP A 170 15.069 8.925 5.673 1.00 15.00 O ATOM 8 OD2 ASP A 170 15.018 8.287 3.580 1.00 15.00 O1- ATOM 0 HA ASP A 170 11.072 8.260 5.178 1.00 15.00 H new ATOM 0 HB2 ASP A 170 12.661 9.106 3.508 1.00 15.00 H new ATOM 0 HB3 ASP A 170 12.799 10.017 4.998 1.00 15.00 H new ATOM 15 N VAL A 171 13.201 5.801 5.208 1.00 15.00 N ATOM 16 CA VAL A 171 13.468 4.467 4.673 1.00 15.00 C ATOM 17 C VAL A 171 12.391 3.443 5.067 1.00 15.00 C ATOM 18 O VAL A 171 11.886 2.725 4.205 1.00 15.00 O ATOM 19 CB VAL A 171 14.853 3.941 5.109 1.00 15.00 C ATOM 20 CG1 VAL A 171 15.130 2.572 4.506 1.00 15.00 C ATOM 21 CG2 VAL A 171 15.943 4.924 4.717 1.00 15.00 C ATOM 0 H VAL A 171 13.731 6.035 6.048 1.00 15.00 H new ATOM 0 HA VAL A 171 13.452 4.580 3.589 1.00 15.00 H new ATOM 0 HB VAL A 171 14.850 3.839 6.194 1.00 15.00 H new ATOM 0 HG11 VAL A 171 16.111 2.224 4.829 1.00 15.00 H new ATOM 0 HG12 VAL A 171 14.368 1.867 4.838 1.00 15.00 H new ATOM 0 HG13 VAL A 171 15.109 2.643 3.418 1.00 15.00 H new ATOM 0 HG21 VAL A 171 16.912 4.537 5.032 1.00 15.00 H new ATOM 0 HG22 VAL A 171 15.940 5.058 3.635 1.00 15.00 H new ATOM 0 HG23 VAL A 171 15.760 5.883 5.202 1.00 15.00 H new ATOM 31 N PRO A 172 12.026 3.341 6.375 1.00 15.00 N ATOM 32 CA PRO A 172 11.023 2.367 6.837 1.00 15.00 C ATOM 33 C PRO A 172 9.706 2.460 6.071 1.00 15.00 C ATOM 34 O PRO A 172 9.006 1.462 5.898 1.00 15.00 O ATOM 35 CB PRO A 172 10.809 2.730 8.306 1.00 15.00 C ATOM 36 CG PRO A 172 12.075 3.391 8.719 1.00 15.00 C ATOM 37 CD PRO A 172 12.573 4.123 7.504 1.00 15.00 C ATOM 0 HA PRO A 172 11.366 1.344 6.682 1.00 15.00 H new ATOM 0 HB2 PRO A 172 9.956 3.397 8.429 1.00 15.00 H new ATOM 0 HB3 PRO A 172 10.610 1.843 8.908 1.00 15.00 H new ATOM 0 HG2 PRO A 172 11.904 4.079 9.547 1.00 15.00 H new ATOM 0 HG3 PRO A 172 12.806 2.657 9.060 1.00 15.00 H new ATOM 0 HD2 PRO A 172 12.220 5.154 7.485 1.00 15.00 H new ATOM 0 HD3 PRO A 172 13.662 4.158 7.476 1.00 15.00 H new ATOM 45 N LEU A 173 9.364 3.665 5.638 1.00 15.00 N ATOM 46 CA LEU A 173 8.171 3.885 4.838 1.00 15.00 C ATOM 47 C LEU A 173 8.482 4.853 3.698 1.00 15.00 C ATOM 48 O LEU A 173 8.665 6.052 3.929 1.00 15.00 O ATOM 49 CB LEU A 173 7.025 4.440 5.698 1.00 15.00 C ATOM 50 CG LEU A 173 6.537 3.533 6.839 1.00 15.00 C ATOM 51 CD1 LEU A 173 5.529 4.275 7.702 1.00 15.00 C ATOM 52 CD2 LEU A 173 5.911 2.252 6.293 1.00 15.00 C ATOM 0 H LEU A 173 9.902 4.510 5.830 1.00 15.00 H new ATOM 0 HA LEU A 173 7.855 2.927 4.425 1.00 15.00 H new ATOM 0 HB2 LEU A 173 7.346 5.389 6.127 1.00 15.00 H new ATOM 0 HB3 LEU A 173 6.179 4.656 5.045 1.00 15.00 H new ATOM 0 HG LEU A 173 7.400 3.260 7.447 1.00 15.00 H new ATOM 0 HD11 LEU A 173 5.190 3.623 8.507 1.00 15.00 H new ATOM 0 HD12 LEU A 173 5.997 5.163 8.127 1.00 15.00 H new ATOM 0 HD13 LEU A 173 4.676 4.572 7.092 1.00 15.00 H new ATOM 0 HD21 LEU A 173 5.575 1.629 7.122 1.00 15.00 H new ATOM 0 HD22 LEU A 173 5.060 2.504 5.660 1.00 15.00 H new ATOM 0 HD23 LEU A 173 6.651 1.707 5.707 1.00 15.00 H new ATOM 64 N PRO A 174 8.590 4.331 2.462 1.00 15.00 N ATOM 65 CA PRO A 174 8.854 5.142 1.265 1.00 15.00 C ATOM 66 C PRO A 174 7.853 6.286 1.111 1.00 15.00 C ATOM 67 O PRO A 174 6.690 6.172 1.512 1.00 15.00 O ATOM 68 CB PRO A 174 8.707 4.136 0.118 1.00 15.00 C ATOM 69 CG PRO A 174 8.996 2.816 0.733 1.00 15.00 C ATOM 70 CD PRO A 174 8.480 2.900 2.139 1.00 15.00 C ATOM 0 HA PRO A 174 9.831 5.624 1.301 1.00 15.00 H new ATOM 0 HB2 PRO A 174 7.703 4.164 -0.306 1.00 15.00 H new ATOM 0 HB3 PRO A 174 9.402 4.356 -0.693 1.00 15.00 H new ATOM 0 HG2 PRO A 174 8.505 2.013 0.184 1.00 15.00 H new ATOM 0 HG3 PRO A 174 10.065 2.604 0.721 1.00 15.00 H new ATOM 0 HD2 PRO A 174 7.450 2.551 2.210 1.00 15.00 H new ATOM 0 HD3 PRO A 174 9.071 2.288 2.820 1.00 15.00 H new ATOM 78 N ALA A 175 8.293 7.371 0.491 1.00 15.00 N ATOM 79 CA ALA A 175 7.480 8.573 0.389 1.00 15.00 C ATOM 80 C ALA A 175 6.624 8.542 -0.868 1.00 15.00 C ATOM 81 O ALA A 175 7.088 8.166 -1.945 1.00 15.00 O ATOM 82 CB ALA A 175 8.363 9.811 0.405 1.00 15.00 C ATOM 0 H ALA A 175 9.210 7.443 0.050 1.00 15.00 H new ATOM 0 HA ALA A 175 6.814 8.611 1.251 1.00 15.00 H new ATOM 0 HB1 ALA A 175 7.741 10.703 0.328 1.00 15.00 H new ATOM 0 HB2 ALA A 175 8.929 9.842 1.336 1.00 15.00 H new ATOM 0 HB3 ALA A 175 9.053 9.776 -0.438 1.00 15.00 H new ATOM 88 N GLY A 176 5.369 8.934 -0.712 1.00 15.00 N ATOM 89 CA GLY A 176 4.417 8.872 -1.803 1.00 15.00 C ATOM 90 C GLY A 176 3.749 7.519 -1.870 1.00 15.00 C ATOM 91 O GLY A 176 3.075 7.186 -2.850 1.00 15.00 O ATOM 0 H GLY A 176 4.989 9.298 0.161 1.00 15.00 H new ATOM 0 HA2 GLY A 176 3.662 9.647 -1.674 1.00 15.00 H new ATOM 0 HA3 GLY A 176 4.926 9.076 -2.745 1.00 15.00 H new ATOM 95 N TRP A 177 3.901 6.760 -0.796 1.00 15.00 N ATOM 96 CA TRP A 177 3.316 5.437 -0.688 1.00 15.00 C ATOM 97 C TRP A 177 2.366 5.401 0.502 1.00 15.00 C ATOM 98 O TRP A 177 2.683 5.925 1.568 1.00 15.00 O ATOM 99 CB TRP A 177 4.409 4.372 -0.511 1.00 15.00 C ATOM 100 CG TRP A 177 5.322 4.214 -1.694 1.00 15.00 C ATOM 101 CD1 TRP A 177 6.313 5.065 -2.081 1.00 15.00 C ATOM 102 CD2 TRP A 177 5.348 3.123 -2.625 1.00 15.00 C ATOM 103 NE1 TRP A 177 6.941 4.585 -3.204 1.00 15.00 N ATOM 104 CE2 TRP A 177 6.368 3.393 -3.556 1.00 15.00 C ATOM 105 CE3 TRP A 177 4.606 1.948 -2.765 1.00 15.00 C ATOM 106 CZ2 TRP A 177 6.663 2.529 -4.610 1.00 15.00 C ATOM 107 CZ3 TRP A 177 4.901 1.091 -3.809 1.00 15.00 C ATOM 108 CH2 TRP A 177 5.922 1.386 -4.719 1.00 15.00 C ATOM 0 H TRP A 177 4.434 7.046 0.025 1.00 15.00 H new ATOM 0 HA TRP A 177 2.768 5.219 -1.605 1.00 15.00 H new ATOM 0 HB2 TRP A 177 5.008 4.626 0.363 1.00 15.00 H new ATOM 0 HB3 TRP A 177 3.934 3.413 -0.304 1.00 15.00 H new ATOM 0 HD1 TRP A 177 6.568 5.985 -1.577 1.00 15.00 H new ATOM 0 HE1 TRP A 177 7.709 5.042 -3.695 1.00 15.00 H new ATOM 0 HE3 TRP A 177 3.815 1.713 -2.069 1.00 15.00 H new ATOM 0 HZ2 TRP A 177 7.449 2.755 -5.315 1.00 15.00 H new ATOM 0 HZ3 TRP A 177 4.334 0.179 -3.924 1.00 15.00 H new ATOM 0 HH2 TRP A 177 6.129 0.696 -5.524 1.00 15.00 H new ATOM 119 N GLU A 178 1.210 4.791 0.316 1.00 15.00 N ATOM 120 CA GLU A 178 0.241 4.644 1.388 1.00 15.00 C ATOM 121 C GLU A 178 0.513 3.343 2.123 1.00 15.00 C ATOM 122 O GLU A 178 0.376 2.261 1.551 1.00 15.00 O ATOM 123 CB GLU A 178 -1.181 4.652 0.829 1.00 15.00 C ATOM 124 CG GLU A 178 -2.256 4.746 1.897 1.00 15.00 C ATOM 125 CD GLU A 178 -2.237 6.077 2.620 1.00 15.00 C ATOM 126 OE1 GLU A 178 -2.853 7.033 2.110 1.00 15.00 O ATOM 127 OE2 GLU A 178 -1.600 6.169 3.688 1.00 15.00 O1- ATOM 0 H GLU A 178 0.917 4.387 -0.574 1.00 15.00 H new ATOM 0 HA GLU A 178 0.335 5.481 2.080 1.00 15.00 H new ATOM 0 HB2 GLU A 178 -1.288 5.493 0.144 1.00 15.00 H new ATOM 0 HB3 GLU A 178 -1.338 3.744 0.247 1.00 15.00 H new ATOM 0 HG2 GLU A 178 -3.234 4.599 1.438 1.00 15.00 H new ATOM 0 HG3 GLU A 178 -2.118 3.941 2.619 1.00 15.00 H new ATOM 134 N MET A 179 0.908 3.451 3.379 1.00 15.00 N ATOM 135 CA MET A 179 1.380 2.297 4.126 1.00 15.00 C ATOM 136 C MET A 179 0.332 1.820 5.119 1.00 15.00 C ATOM 137 O MET A 179 0.061 2.497 6.111 1.00 15.00 O ATOM 138 CB MET A 179 2.670 2.641 4.881 1.00 15.00 C ATOM 139 CG MET A 179 3.567 3.637 4.156 1.00 15.00 C ATOM 140 SD MET A 179 4.135 3.057 2.544 1.00 15.00 S ATOM 141 CE MET A 179 5.371 1.857 3.012 1.00 15.00 C ATOM 0 H MET A 179 0.912 4.326 3.904 1.00 15.00 H new ATOM 0 HA MET A 179 1.576 1.498 3.410 1.00 15.00 H new ATOM 0 HB2 MET A 179 2.409 3.047 5.858 1.00 15.00 H new ATOM 0 HB3 MET A 179 3.231 1.723 5.057 1.00 15.00 H new ATOM 0 HG2 MET A 179 3.025 4.574 4.026 1.00 15.00 H new ATOM 0 HG3 MET A 179 4.433 3.855 4.781 1.00 15.00 H new ATOM 0 HE1 MET A 179 5.655 1.268 2.140 1.00 15.00 H new ATOM 0 HE2 MET A 179 6.249 2.372 3.403 1.00 15.00 H new ATOM 0 HE3 MET A 179 4.966 1.197 3.779 1.00 15.00 H new ATOM 151 N ALA A 180 -0.267 0.664 4.851 1.00 15.00 N ATOM 152 CA ALA A 180 -1.204 0.080 5.799 1.00 15.00 C ATOM 153 C ALA A 180 -1.203 -1.436 5.708 1.00 15.00 C ATOM 154 O ALA A 180 -1.243 -2.010 4.620 1.00 15.00 O ATOM 155 CB ALA A 180 -2.607 0.630 5.595 1.00 15.00 C ATOM 0 H ALA A 180 -0.123 0.122 3.999 1.00 15.00 H new ATOM 0 HA ALA A 180 -0.875 0.358 6.800 1.00 15.00 H new ATOM 0 HB1 ALA A 180 -3.285 0.175 6.318 1.00 15.00 H new ATOM 0 HB2 ALA A 180 -2.598 1.711 5.736 1.00 15.00 H new ATOM 0 HB3 ALA A 180 -2.945 0.399 4.585 1.00 15.00 H new ATOM 161 N LYS A 181 -1.140 -2.081 6.856 1.00 15.00 N ATOM 162 CA LYS A 181 -1.145 -3.529 6.921 1.00 15.00 C ATOM 163 C LYS A 181 -2.359 -3.991 7.717 1.00 15.00 C ATOM 164 O LYS A 181 -2.626 -3.469 8.802 1.00 15.00 O ATOM 165 CB LYS A 181 0.144 -4.032 7.581 1.00 15.00 C ATOM 166 CG LYS A 181 1.408 -3.380 7.034 1.00 15.00 C ATOM 167 CD LYS A 181 2.661 -4.062 7.563 1.00 15.00 C ATOM 168 CE LYS A 181 3.911 -3.241 7.292 1.00 15.00 C ATOM 169 NZ LYS A 181 4.025 -2.083 8.221 1.00 15.00 N1+ ATOM 0 H LYS A 181 -1.084 -1.620 7.764 1.00 15.00 H new ATOM 0 HA LYS A 181 -1.198 -3.937 5.912 1.00 15.00 H new ATOM 0 HB2 LYS A 181 0.087 -3.850 8.654 1.00 15.00 H new ATOM 0 HB3 LYS A 181 0.214 -5.111 7.444 1.00 15.00 H new ATOM 0 HG2 LYS A 181 1.400 -3.425 5.945 1.00 15.00 H new ATOM 0 HG3 LYS A 181 1.423 -2.325 7.309 1.00 15.00 H new ATOM 0 HD2 LYS A 181 2.560 -4.226 8.636 1.00 15.00 H new ATOM 0 HD3 LYS A 181 2.764 -5.043 7.099 1.00 15.00 H new ATOM 0 HE2 LYS A 181 4.791 -3.876 7.393 1.00 15.00 H new ATOM 0 HE3 LYS A 181 3.893 -2.881 6.263 1.00 15.00 H new ATOM 0 HZ1 LYS A 181 4.938 -1.608 8.073 1.00 15.00 H new ATOM 0 HZ2 LYS A 181 3.252 -1.413 8.037 1.00 15.00 H new ATOM 0 HZ3 LYS A 181 3.965 -2.419 9.203 1.00 15.00 H new ATOM 183 N THR A 182 -3.086 -4.965 7.189 1.00 15.00 N ATOM 184 CA THR A 182 -4.283 -5.460 7.851 1.00 15.00 C ATOM 185 C THR A 182 -3.938 -6.603 8.793 1.00 15.00 C ATOM 186 O THR A 182 -3.006 -7.371 8.530 1.00 15.00 O ATOM 187 CB THR A 182 -5.333 -5.960 6.837 1.00 15.00 C ATOM 188 OG1 THR A 182 -4.832 -7.102 6.133 1.00 15.00 O ATOM 189 CG2 THR A 182 -5.689 -4.876 5.835 1.00 15.00 C ATOM 0 H THR A 182 -2.868 -5.427 6.306 1.00 15.00 H new ATOM 0 HA THR A 182 -4.703 -4.624 8.411 1.00 15.00 H new ATOM 0 HB THR A 182 -6.230 -6.231 7.394 1.00 15.00 H new ATOM 0 HG1 THR A 182 -5.569 -7.546 5.663 1.00 15.00 H new ATOM 0 HG21 THR A 182 -6.431 -5.258 5.134 1.00 15.00 H new ATOM 0 HG22 THR A 182 -6.098 -4.014 6.362 1.00 15.00 H new ATOM 0 HG23 THR A 182 -4.794 -4.577 5.289 1.00 15.00 H new ATOM 197 N SER A 183 -4.708 -6.726 9.874 1.00 15.00 N ATOM 198 CA SER A 183 -4.511 -7.789 10.853 1.00 15.00 C ATOM 199 C SER A 183 -4.731 -9.166 10.223 1.00 15.00 C ATOM 200 O SER A 183 -4.366 -10.193 10.797 1.00 15.00 O ATOM 201 CB SER A 183 -5.450 -7.586 12.047 1.00 15.00 C ATOM 202 OG SER A 183 -6.789 -7.378 11.618 1.00 15.00 O ATOM 0 H SER A 183 -5.480 -6.096 10.093 1.00 15.00 H new ATOM 0 HA SER A 183 -3.480 -7.744 11.204 1.00 15.00 H new ATOM 0 HB2 SER A 183 -5.406 -8.458 12.700 1.00 15.00 H new ATOM 0 HB3 SER A 183 -5.116 -6.730 12.634 1.00 15.00 H new ATOM 0 HG SER A 183 -7.367 -7.253 12.399 1.00 15.00 H new ATOM 208 N SER A 184 -5.343 -9.171 9.044 1.00 15.00 N ATOM 209 CA SER A 184 -5.539 -10.384 8.263 1.00 15.00 C ATOM 210 C SER A 184 -4.198 -10.926 7.763 1.00 15.00 C ATOM 211 O SER A 184 -4.100 -12.069 7.316 1.00 15.00 O ATOM 212 CB SER A 184 -6.462 -10.091 7.080 1.00 15.00 C ATOM 213 OG SER A 184 -7.574 -9.306 7.488 1.00 15.00 O ATOM 0 H SER A 184 -5.718 -8.331 8.603 1.00 15.00 H new ATOM 0 HA SER A 184 -5.998 -11.140 8.899 1.00 15.00 H new ATOM 0 HB2 SER A 184 -5.907 -9.567 6.302 1.00 15.00 H new ATOM 0 HB3 SER A 184 -6.812 -11.027 6.646 1.00 15.00 H new ATOM 0 HG SER A 184 -8.150 -9.129 6.715 1.00 15.00 H new ATOM 219 N GLY A 185 -3.172 -10.086 7.840 1.00 15.00 N ATOM 220 CA GLY A 185 -1.875 -10.431 7.296 1.00 15.00 C ATOM 221 C GLY A 185 -1.739 -9.995 5.854 1.00 15.00 C ATOM 222 O GLY A 185 -1.108 -10.673 5.044 1.00 15.00 O ATOM 0 H GLY A 185 -3.218 -9.164 8.274 1.00 15.00 H new ATOM 0 HA2 GLY A 185 -1.093 -9.962 7.893 1.00 15.00 H new ATOM 0 HA3 GLY A 185 -1.726 -11.508 7.366 1.00 15.00 H new ATOM 226 N GLN A 186 -2.339 -8.853 5.537 1.00 15.00 N ATOM 227 CA GLN A 186 -2.235 -8.283 4.201 1.00 15.00 C ATOM 228 C GLN A 186 -1.495 -6.957 4.253 1.00 15.00 C ATOM 229 O GLN A 186 -1.998 -5.968 4.787 1.00 15.00 O ATOM 230 CB GLN A 186 -3.613 -8.091 3.560 1.00 15.00 C ATOM 231 CG GLN A 186 -4.239 -9.383 3.067 1.00 15.00 C ATOM 232 CD GLN A 186 -5.680 -9.214 2.618 1.00 15.00 C ATOM 233 OE1 GLN A 186 -6.019 -8.035 2.116 1.00 15.00 O flip ATOM 234 NE2 GLN A 186 -6.483 -10.141 2.716 1.00 15.00 N flip ATOM 0 H GLN A 186 -2.902 -8.305 6.187 1.00 15.00 H new ATOM 0 HA GLN A 186 -1.675 -8.985 3.584 1.00 15.00 H new ATOM 0 HB2 GLN A 186 -4.281 -7.627 4.286 1.00 15.00 H new ATOM 0 HB3 GLN A 186 -3.522 -7.399 2.723 1.00 15.00 H new ATOM 0 HG2 GLN A 186 -3.649 -9.772 2.237 1.00 15.00 H new ATOM 0 HG3 GLN A 186 -4.198 -10.127 3.863 1.00 15.00 H new ATOM 0 HE21 GLN A 186 -6.185 -11.034 3.108 1.00 15.00 H new ATOM 0 HE22 GLN A 186 -7.447 -10.016 2.405 1.00 15.00 H new ATOM 243 N ARG A 187 -0.286 -6.958 3.722 1.00 15.00 N ATOM 244 CA ARG A 187 0.529 -5.758 3.663 1.00 15.00 C ATOM 245 C ARG A 187 0.417 -5.124 2.277 1.00 15.00 C ATOM 246 O ARG A 187 0.953 -5.652 1.306 1.00 15.00 O ATOM 247 CB ARG A 187 1.993 -6.090 4.003 1.00 15.00 C ATOM 248 CG ARG A 187 2.588 -7.218 3.169 1.00 15.00 C ATOM 249 CD ARG A 187 3.898 -7.728 3.751 1.00 15.00 C ATOM 250 NE ARG A 187 4.955 -6.713 3.760 1.00 15.00 N ATOM 251 CZ ARG A 187 5.833 -6.574 4.756 1.00 15.00 C ATOM 252 NH1 ARG A 187 5.691 -7.274 5.871 1.00 15.00 N1+ ATOM 253 NH2 ARG A 187 6.831 -5.707 4.658 1.00 15.00 N ATOM 0 H ARG A 187 0.157 -7.785 3.322 1.00 15.00 H new ATOM 0 HA ARG A 187 0.167 -5.041 4.400 1.00 15.00 H new ATOM 0 HB2 ARG A 187 2.598 -5.194 3.866 1.00 15.00 H new ATOM 0 HB3 ARG A 187 2.057 -6.360 5.057 1.00 15.00 H new ATOM 0 HG2 ARG A 187 1.874 -8.039 3.109 1.00 15.00 H new ATOM 0 HG3 ARG A 187 2.756 -6.866 2.151 1.00 15.00 H new ATOM 0 HD2 ARG A 187 3.726 -8.074 4.770 1.00 15.00 H new ATOM 0 HD3 ARG A 187 4.234 -8.590 3.174 1.00 15.00 H new ATOM 0 HE ARG A 187 5.023 -6.080 2.964 1.00 15.00 H new ATOM 0 HH11 ARG A 187 4.909 -7.922 5.971 1.00 15.00 H new ATOM 0 HH12 ARG A 187 6.363 -7.166 6.630 1.00 15.00 H new ATOM 0 HH21 ARG A 187 6.933 -5.139 3.817 1.00 15.00 H new ATOM 0 HH22 ARG A 187 7.497 -5.607 5.424 1.00 15.00 H new ATOM 267 N TYR A 188 -0.316 -4.026 2.170 1.00 15.00 N ATOM 268 CA TYR A 188 -0.490 -3.374 0.886 1.00 15.00 C ATOM 269 C TYR A 188 0.065 -1.961 0.925 1.00 15.00 C ATOM 270 O TYR A 188 0.079 -1.300 1.975 1.00 15.00 O ATOM 271 CB TYR A 188 -1.964 -3.372 0.451 1.00 15.00 C ATOM 272 CG TYR A 188 -2.915 -2.713 1.424 1.00 15.00 C ATOM 273 CD1 TYR A 188 -2.826 -1.358 1.706 1.00 15.00 C ATOM 274 CD2 TYR A 188 -3.912 -3.445 2.048 1.00 15.00 C ATOM 275 CE1 TYR A 188 -3.689 -0.755 2.588 1.00 15.00 C ATOM 276 CE2 TYR A 188 -4.788 -2.843 2.933 1.00 15.00 C ATOM 277 CZ TYR A 188 -4.670 -1.502 3.202 1.00 15.00 C ATOM 278 OH TYR A 188 -5.535 -0.905 4.090 1.00 15.00 O ATOM 0 H TYR A 188 -0.794 -3.574 2.949 1.00 15.00 H new ATOM 0 HA TYR A 188 0.070 -3.944 0.144 1.00 15.00 H new ATOM 0 HB2 TYR A 188 -2.043 -2.865 -0.511 1.00 15.00 H new ATOM 0 HB3 TYR A 188 -2.283 -4.403 0.296 1.00 15.00 H new ATOM 0 HD1 TYR A 188 -2.063 -0.766 1.223 1.00 15.00 H new ATOM 0 HD2 TYR A 188 -4.007 -4.501 1.840 1.00 15.00 H new ATOM 0 HE1 TYR A 188 -3.599 0.300 2.799 1.00 15.00 H new ATOM 0 HE2 TYR A 188 -5.562 -3.426 3.411 1.00 15.00 H new ATOM 0 HH TYR A 188 -6.166 -1.573 4.432 1.00 15.00 H new ATOM 288 N PHE A 189 0.526 -1.509 -0.222 1.00 15.00 N ATOM 289 CA PHE A 189 1.094 -0.189 -0.344 1.00 15.00 C ATOM 290 C PHE A 189 0.516 0.513 -1.570 1.00 15.00 C ATOM 291 O PHE A 189 0.539 -0.031 -2.669 1.00 15.00 O ATOM 292 CB PHE A 189 2.620 -0.292 -0.445 1.00 15.00 C ATOM 293 CG PHE A 189 3.245 -1.077 0.680 1.00 15.00 C ATOM 294 CD1 PHE A 189 3.400 -0.504 1.928 1.00 15.00 C ATOM 295 CD2 PHE A 189 3.672 -2.380 0.492 1.00 15.00 C ATOM 296 CE1 PHE A 189 3.964 -1.211 2.973 1.00 15.00 C ATOM 297 CE2 PHE A 189 4.239 -3.094 1.533 1.00 15.00 C ATOM 298 CZ PHE A 189 4.385 -2.506 2.776 1.00 15.00 C ATOM 0 H PHE A 189 0.517 -2.045 -1.090 1.00 15.00 H new ATOM 0 HA PHE A 189 0.843 0.399 0.539 1.00 15.00 H new ATOM 0 HB2 PHE A 189 2.883 -0.760 -1.394 1.00 15.00 H new ATOM 0 HB3 PHE A 189 3.044 0.712 -0.456 1.00 15.00 H new ATOM 0 HD1 PHE A 189 3.075 0.513 2.089 1.00 15.00 H new ATOM 0 HD2 PHE A 189 3.562 -2.844 -0.477 1.00 15.00 H new ATOM 0 HE1 PHE A 189 4.074 -0.748 3.942 1.00 15.00 H new ATOM 0 HE2 PHE A 189 4.568 -4.111 1.375 1.00 15.00 H new ATOM 0 HZ PHE A 189 4.828 -3.061 3.589 1.00 15.00 H new ATOM 308 N LEU A 190 -0.017 1.708 -1.378 1.00 15.00 N ATOM 309 CA LEU A 190 -0.512 2.503 -2.500 1.00 15.00 C ATOM 310 C LEU A 190 0.584 3.386 -3.058 1.00 15.00 C ATOM 311 O LEU A 190 1.413 3.888 -2.313 1.00 15.00 O ATOM 312 CB LEU A 190 -1.641 3.447 -2.090 1.00 15.00 C ATOM 313 CG LEU A 190 -3.076 2.945 -2.185 1.00 15.00 C ATOM 314 CD1 LEU A 190 -3.980 4.146 -2.408 1.00 15.00 C ATOM 315 CD2 LEU A 190 -3.249 1.946 -3.318 1.00 15.00 C ATOM 0 H LEU A 190 -0.120 2.150 -0.465 1.00 15.00 H new ATOM 0 HA LEU A 190 -0.868 1.780 -3.234 1.00 15.00 H new ATOM 0 HB2 LEU A 190 -1.463 3.749 -1.058 1.00 15.00 H new ATOM 0 HB3 LEU A 190 -1.562 4.345 -2.703 1.00 15.00 H new ATOM 0 HG LEU A 190 -3.336 2.429 -1.261 1.00 15.00 H new ATOM 0 HD11 LEU A 190 -5.016 3.814 -2.480 1.00 15.00 H new ATOM 0 HD12 LEU A 190 -3.878 4.838 -1.572 1.00 15.00 H new ATOM 0 HD13 LEU A 190 -3.696 4.649 -3.332 1.00 15.00 H new ATOM 0 HD21 LEU A 190 -4.286 1.611 -3.353 1.00 15.00 H new ATOM 0 HD22 LEU A 190 -2.989 2.420 -4.264 1.00 15.00 H new ATOM 0 HD23 LEU A 190 -2.597 1.089 -3.150 1.00 15.00 H new ATOM 327 N ASN A 191 0.562 3.624 -4.352 1.00 15.00 N ATOM 328 CA ASN A 191 1.341 4.707 -4.905 1.00 15.00 C ATOM 329 C ASN A 191 0.408 5.875 -5.137 1.00 15.00 C ATOM 330 O ASN A 191 -0.345 5.873 -6.114 1.00 15.00 O ATOM 331 CB ASN A 191 2.029 4.329 -6.219 1.00 15.00 C ATOM 332 CG ASN A 191 2.959 3.140 -6.096 1.00 15.00 C ATOM 333 OD1 ASN A 191 2.673 2.178 -5.388 1.00 15.00 O ATOM 334 ND2 ASN A 191 4.090 3.202 -6.782 1.00 15.00 N ATOM 0 H ASN A 191 0.021 3.090 -5.031 1.00 15.00 H new ATOM 0 HA ASN A 191 2.133 4.959 -4.200 1.00 15.00 H new ATOM 0 HB2 ASN A 191 1.268 4.109 -6.968 1.00 15.00 H new ATOM 0 HB3 ASN A 191 2.595 5.186 -6.583 1.00 15.00 H new ATOM 0 HD21 ASN A 191 4.759 2.434 -6.733 1.00 15.00 H new ATOM 0 HD22 ASN A 191 4.292 4.018 -7.359 1.00 15.00 H new ATOM 341 N HIS A 192 0.424 6.847 -4.214 1.00 15.00 N ATOM 342 CA HIS A 192 -0.447 8.029 -4.309 1.00 15.00 C ATOM 343 C HIS A 192 -0.031 8.907 -5.488 1.00 15.00 C ATOM 344 O HIS A 192 -0.664 9.920 -5.779 1.00 15.00 O ATOM 345 CB HIS A 192 -0.416 8.865 -3.017 1.00 15.00 C ATOM 346 CG HIS A 192 -1.494 8.528 -2.017 1.00 15.00 C ATOM 347 ND1 HIS A 192 -2.735 9.141 -1.994 1.00 15.00 N ATOM 348 CD2 HIS A 192 -1.496 7.666 -0.974 1.00 15.00 C ATOM 349 CE1 HIS A 192 -3.438 8.671 -0.984 1.00 15.00 C ATOM 350 NE2 HIS A 192 -2.716 7.778 -0.347 1.00 15.00 N ATOM 0 H HIS A 192 1.030 6.839 -3.393 1.00 15.00 H new ATOM 0 HA HIS A 192 -1.464 7.667 -4.461 1.00 15.00 H new ATOM 0 HB2 HIS A 192 0.555 8.734 -2.540 1.00 15.00 H new ATOM 0 HB3 HIS A 192 -0.502 9.919 -3.281 1.00 15.00 H new ATOM 0 HD2 HIS A 192 -0.688 7.010 -0.686 1.00 15.00 H new ATOM 0 HE1 HIS A 192 -4.442 8.971 -0.723 1.00 15.00 H new ATOM 0 HE2 HIS A 192 -3.011 7.254 0.477 1.00 15.00 H new ATOM 359 N ILE A 193 1.057 8.519 -6.139 1.00 15.00 N ATOM 360 CA ILE A 193 1.551 9.220 -7.312 1.00 15.00 C ATOM 361 C ILE A 193 1.191 8.449 -8.581 1.00 15.00 C ATOM 362 O ILE A 193 0.673 9.017 -9.546 1.00 15.00 O ATOM 363 CB ILE A 193 3.085 9.397 -7.250 1.00 15.00 C ATOM 364 CG1 ILE A 193 3.494 10.048 -5.924 1.00 15.00 C ATOM 365 CG2 ILE A 193 3.570 10.237 -8.425 1.00 15.00 C ATOM 366 CD1 ILE A 193 4.991 10.131 -5.716 1.00 15.00 C ATOM 0 H ILE A 193 1.619 7.712 -5.869 1.00 15.00 H new ATOM 0 HA ILE A 193 1.081 10.203 -7.331 1.00 15.00 H new ATOM 0 HB ILE A 193 3.550 8.413 -7.311 1.00 15.00 H new ATOM 0 HG12 ILE A 193 3.075 11.053 -5.880 1.00 15.00 H new ATOM 0 HG13 ILE A 193 3.054 9.483 -5.102 1.00 15.00 H new ATOM 0 HG21 ILE A 193 4.652 10.353 -8.367 1.00 15.00 H new ATOM 0 HG22 ILE A 193 3.307 9.741 -9.360 1.00 15.00 H new ATOM 0 HG23 ILE A 193 3.098 11.219 -8.390 1.00 15.00 H new ATOM 0 HD11 ILE A 193 5.199 10.603 -4.756 1.00 15.00 H new ATOM 0 HD12 ILE A 193 5.416 9.127 -5.726 1.00 15.00 H new ATOM 0 HD13 ILE A 193 5.437 10.722 -6.516 1.00 15.00 H new ATOM 378 N ASP A 194 1.454 7.144 -8.564 1.00 15.00 N ATOM 379 CA ASP A 194 1.254 6.295 -9.739 1.00 15.00 C ATOM 380 C ASP A 194 -0.199 5.860 -9.884 1.00 15.00 C ATOM 381 O ASP A 194 -0.589 5.351 -10.935 1.00 15.00 O ATOM 382 CB ASP A 194 2.139 5.043 -9.671 1.00 15.00 C ATOM 383 CG ASP A 194 3.618 5.354 -9.589 1.00 15.00 C ATOM 384 OD1 ASP A 194 4.122 5.568 -8.466 1.00 15.00 O1- ATOM 385 OD2 ASP A 194 4.292 5.367 -10.641 1.00 15.00 O ATOM 0 H ASP A 194 1.808 6.648 -7.746 1.00 15.00 H new ATOM 0 HA ASP A 194 1.531 6.895 -10.606 1.00 15.00 H new ATOM 0 HB2 ASP A 194 1.851 4.451 -8.802 1.00 15.00 H new ATOM 0 HB3 ASP A 194 1.953 4.428 -10.551 1.00 15.00 H new ATOM 390 N GLN A 195 -0.984 6.030 -8.817 1.00 15.00 N ATOM 391 CA GLN A 195 -2.389 5.613 -8.804 1.00 15.00 C ATOM 392 C GLN A 195 -2.472 4.089 -8.885 1.00 15.00 C ATOM 393 O GLN A 195 -3.367 3.512 -9.503 1.00 15.00 O ATOM 394 CB GLN A 195 -3.150 6.310 -9.955 1.00 15.00 C ATOM 395 CG GLN A 195 -4.629 5.957 -10.053 1.00 15.00 C ATOM 396 CD GLN A 195 -5.415 6.942 -10.891 1.00 15.00 C ATOM 397 OE1 GLN A 195 -5.499 6.813 -12.113 1.00 15.00 O ATOM 398 NE2 GLN A 195 -6.018 7.919 -10.235 1.00 15.00 N ATOM 0 H GLN A 195 -0.668 6.456 -7.946 1.00 15.00 H new ATOM 0 HA GLN A 195 -2.865 5.916 -7.872 1.00 15.00 H new ATOM 0 HB2 GLN A 195 -3.056 7.389 -9.832 1.00 15.00 H new ATOM 0 HB3 GLN A 195 -2.667 6.054 -10.898 1.00 15.00 H new ATOM 0 HG2 GLN A 195 -4.732 4.960 -10.481 1.00 15.00 H new ATOM 0 HG3 GLN A 195 -5.056 5.919 -9.051 1.00 15.00 H new ATOM 0 HE21 GLN A 195 -5.922 7.988 -9.222 1.00 15.00 H new ATOM 0 HE22 GLN A 195 -6.580 8.603 -10.742 1.00 15.00 H new ATOM 407 N THR A 196 -1.562 3.432 -8.189 1.00 15.00 N ATOM 408 CA THR A 196 -1.495 1.985 -8.254 1.00 15.00 C ATOM 409 C THR A 196 -1.623 1.338 -6.882 1.00 15.00 C ATOM 410 O THR A 196 -1.216 1.906 -5.866 1.00 15.00 O ATOM 411 CB THR A 196 -0.187 1.512 -8.925 1.00 15.00 C ATOM 412 OG1 THR A 196 0.934 2.192 -8.354 1.00 15.00 O ATOM 413 CG2 THR A 196 -0.214 1.760 -10.424 1.00 15.00 C ATOM 0 H THR A 196 -0.869 3.870 -7.581 1.00 15.00 H new ATOM 0 HA THR A 196 -2.344 1.669 -8.860 1.00 15.00 H new ATOM 0 HB THR A 196 -0.095 0.440 -8.752 1.00 15.00 H new ATOM 0 HG1 THR A 196 1.758 1.883 -8.785 1.00 15.00 H new ATOM 0 HG21 THR A 196 0.721 1.416 -10.867 1.00 15.00 H new ATOM 0 HG22 THR A 196 -1.047 1.216 -10.868 1.00 15.00 H new ATOM 0 HG23 THR A 196 -0.335 2.826 -10.614 1.00 15.00 H new ATOM 421 N THR A 197 -2.226 0.156 -6.869 1.00 15.00 N ATOM 422 CA THR A 197 -2.337 -0.641 -5.662 1.00 15.00 C ATOM 423 C THR A 197 -1.287 -1.753 -5.677 1.00 15.00 C ATOM 424 O THR A 197 -1.318 -2.636 -6.536 1.00 15.00 O ATOM 425 CB THR A 197 -3.747 -1.245 -5.537 1.00 15.00 C ATOM 426 OG1 THR A 197 -4.728 -0.219 -5.739 1.00 15.00 O ATOM 427 CG2 THR A 197 -3.945 -1.873 -4.167 1.00 15.00 C ATOM 0 H THR A 197 -2.649 -0.272 -7.692 1.00 15.00 H new ATOM 0 HA THR A 197 -2.164 0.004 -4.801 1.00 15.00 H new ATOM 0 HB THR A 197 -3.860 -2.020 -6.295 1.00 15.00 H new ATOM 0 HG1 THR A 197 -5.626 -0.605 -5.661 1.00 15.00 H new ATOM 0 HG21 THR A 197 -4.948 -2.294 -4.101 1.00 15.00 H new ATOM 0 HG22 THR A 197 -3.210 -2.664 -4.020 1.00 15.00 H new ATOM 0 HG23 THR A 197 -3.819 -1.112 -3.396 1.00 15.00 H new ATOM 435 N THR A 198 -0.361 -1.691 -4.736 1.00 15.00 N ATOM 436 CA THR A 198 0.796 -2.574 -4.717 1.00 15.00 C ATOM 437 C THR A 198 0.683 -3.639 -3.606 1.00 15.00 C ATOM 438 O THR A 198 0.515 -3.298 -2.432 1.00 15.00 O ATOM 439 CB THR A 198 2.066 -1.719 -4.502 1.00 15.00 C ATOM 440 OG1 THR A 198 2.085 -0.652 -5.463 1.00 15.00 O ATOM 441 CG2 THR A 198 3.337 -2.534 -4.646 1.00 15.00 C ATOM 0 H THR A 198 -0.389 -1.027 -3.962 1.00 15.00 H new ATOM 0 HA THR A 198 0.848 -3.102 -5.669 1.00 15.00 H new ATOM 0 HB THR A 198 2.032 -1.328 -3.485 1.00 15.00 H new ATOM 0 HG1 THR A 198 2.343 0.183 -5.020 1.00 15.00 H new ATOM 0 HG21 THR A 198 4.202 -1.890 -4.486 1.00 15.00 H new ATOM 0 HG22 THR A 198 3.340 -3.336 -3.908 1.00 15.00 H new ATOM 0 HG23 THR A 198 3.383 -2.962 -5.647 1.00 15.00 H new ATOM 449 N TRP A 199 0.751 -4.926 -3.981 1.00 15.00 N ATOM 450 CA TRP A 199 0.777 -6.019 -3.003 1.00 15.00 C ATOM 451 C TRP A 199 2.202 -6.269 -2.511 1.00 15.00 C ATOM 452 O TRP A 199 2.414 -6.853 -1.450 1.00 15.00 O ATOM 453 CB TRP A 199 0.249 -7.329 -3.607 1.00 15.00 C ATOM 454 CG TRP A 199 -1.238 -7.506 -3.600 1.00 15.00 C ATOM 455 CD1 TRP A 199 -2.018 -7.885 -4.660 1.00 15.00 C ATOM 456 CD2 TRP A 199 -2.130 -7.351 -2.486 1.00 15.00 C ATOM 457 NE1 TRP A 199 -3.330 -7.975 -4.277 1.00 15.00 N ATOM 458 CE2 TRP A 199 -3.414 -7.677 -2.948 1.00 15.00 C ATOM 459 CE3 TRP A 199 -1.983 -6.975 -1.140 1.00 15.00 C ATOM 460 CZ2 TRP A 199 -4.515 -7.660 -2.126 1.00 15.00 C ATOM 461 CZ3 TRP A 199 -3.118 -6.934 -0.340 1.00 15.00 C ATOM 462 CH2 TRP A 199 -4.366 -7.298 -0.860 1.00 15.00 C ATOM 0 H TRP A 199 0.789 -5.232 -4.953 1.00 15.00 H new ATOM 0 HA TRP A 199 0.136 -5.715 -2.175 1.00 15.00 H new ATOM 0 HB2 TRP A 199 0.598 -7.397 -4.638 1.00 15.00 H new ATOM 0 HB3 TRP A 199 0.696 -8.162 -3.064 1.00 15.00 H new ATOM 0 HD1 TRP A 199 -1.651 -8.084 -5.656 1.00 15.00 H new ATOM 0 HE1 TRP A 199 -4.112 -8.223 -4.883 1.00 15.00 H new ATOM 0 HE3 TRP A 199 -1.013 -6.724 -0.738 1.00 15.00 H new ATOM 0 HZ2 TRP A 199 -5.487 -7.937 -2.506 1.00 15.00 H new ATOM 0 HZ3 TRP A 199 -3.037 -6.619 0.690 1.00 15.00 H new ATOM 0 HH2 TRP A 199 -5.230 -7.283 -0.212 1.00 15.00 H new ATOM 473 N GLN A 200 3.171 -5.850 -3.313 1.00 15.00 N ATOM 474 CA GLN A 200 4.579 -6.122 -3.039 1.00 15.00 C ATOM 475 C GLN A 200 5.201 -5.014 -2.199 1.00 15.00 C ATOM 476 O GLN A 200 4.898 -3.838 -2.386 1.00 15.00 O ATOM 477 CB GLN A 200 5.346 -6.252 -4.357 1.00 15.00 C ATOM 478 CG GLN A 200 5.069 -7.541 -5.116 1.00 15.00 C ATOM 479 CD GLN A 200 5.753 -8.744 -4.491 1.00 15.00 C ATOM 480 OE1 GLN A 200 6.900 -9.056 -4.819 1.00 15.00 O ATOM 481 NE2 GLN A 200 5.059 -9.432 -3.600 1.00 15.00 N ATOM 0 H GLN A 200 3.007 -5.316 -4.166 1.00 15.00 H new ATOM 0 HA GLN A 200 4.641 -7.055 -2.479 1.00 15.00 H new ATOM 0 HB2 GLN A 200 5.093 -5.406 -4.996 1.00 15.00 H new ATOM 0 HB3 GLN A 200 6.414 -6.188 -4.150 1.00 15.00 H new ATOM 0 HG2 GLN A 200 3.994 -7.715 -5.149 1.00 15.00 H new ATOM 0 HG3 GLN A 200 5.406 -7.431 -6.147 1.00 15.00 H new ATOM 0 HE21 GLN A 200 4.112 -9.141 -3.356 1.00 15.00 H new ATOM 0 HE22 GLN A 200 5.470 -10.254 -3.157 1.00 15.00 H new ATOM 490 N ASP A 201 6.086 -5.393 -1.285 1.00 15.00 N ATOM 491 CA ASP A 201 6.817 -4.414 -0.492 1.00 15.00 C ATOM 492 C ASP A 201 7.867 -3.728 -1.364 1.00 15.00 C ATOM 493 O ASP A 201 8.788 -4.379 -1.864 1.00 15.00 O ATOM 494 CB ASP A 201 7.488 -5.077 0.714 1.00 15.00 C ATOM 495 CG ASP A 201 8.026 -4.063 1.705 1.00 15.00 C ATOM 496 OD1 ASP A 201 9.013 -3.368 1.387 1.00 15.00 O ATOM 497 OD2 ASP A 201 7.467 -3.966 2.818 1.00 15.00 O1- ATOM 0 H ASP A 201 6.314 -6.365 -1.076 1.00 15.00 H new ATOM 0 HA ASP A 201 6.111 -3.671 -0.121 1.00 15.00 H new ATOM 0 HB2 ASP A 201 6.769 -5.725 1.215 1.00 15.00 H new ATOM 0 HB3 ASP A 201 8.304 -5.712 0.369 1.00 15.00 H new ATOM 502 N PRO A 202 7.738 -2.402 -1.556 1.00 15.00 N ATOM 503 CA PRO A 202 8.620 -1.628 -2.441 1.00 15.00 C ATOM 504 C PRO A 202 10.086 -1.644 -2.014 1.00 15.00 C ATOM 505 O PRO A 202 10.966 -1.256 -2.781 1.00 15.00 O ATOM 506 CB PRO A 202 8.064 -0.201 -2.362 1.00 15.00 C ATOM 507 CG PRO A 202 7.235 -0.165 -1.123 1.00 15.00 C ATOM 508 CD PRO A 202 6.707 -1.555 -0.935 1.00 15.00 C ATOM 0 HA PRO A 202 8.623 -2.051 -3.445 1.00 15.00 H new ATOM 0 HB2 PRO A 202 8.869 0.532 -2.317 1.00 15.00 H new ATOM 0 HB3 PRO A 202 7.466 0.036 -3.242 1.00 15.00 H new ATOM 0 HG2 PRO A 202 7.831 0.145 -0.264 1.00 15.00 H new ATOM 0 HG3 PRO A 202 6.420 0.552 -1.220 1.00 15.00 H new ATOM 0 HD2 PRO A 202 6.573 -1.794 0.120 1.00 15.00 H new ATOM 0 HD3 PRO A 202 5.738 -1.685 -1.417 1.00 15.00 H new ATOM 516 N ARG A 203 10.346 -2.066 -0.784 1.00 15.00 N ATOM 517 CA ARG A 203 11.707 -2.098 -0.267 1.00 15.00 C ATOM 518 C ARG A 203 12.305 -3.485 -0.432 1.00 15.00 C ATOM 519 O ARG A 203 13.519 -3.671 -0.324 1.00 15.00 O ATOM 520 CB ARG A 203 11.724 -1.727 1.215 1.00 15.00 C ATOM 521 CG ARG A 203 11.014 -0.426 1.543 1.00 15.00 C ATOM 522 CD ARG A 203 10.645 -0.369 3.016 1.00 15.00 C ATOM 523 NE ARG A 203 9.742 -1.464 3.384 1.00 15.00 N ATOM 524 CZ ARG A 203 9.500 -1.849 4.637 1.00 15.00 C ATOM 525 NH1 ARG A 203 10.159 -1.301 5.645 1.00 15.00 N1+ ATOM 526 NH2 ARG A 203 8.617 -2.808 4.872 1.00 15.00 N ATOM 0 H ARG A 203 9.635 -2.390 -0.128 1.00 15.00 H new ATOM 0 HA ARG A 203 12.297 -1.376 -0.831 1.00 15.00 H new ATOM 0 HB2 ARG A 203 11.261 -2.533 1.784 1.00 15.00 H new ATOM 0 HB3 ARG A 203 12.760 -1.656 1.548 1.00 15.00 H new ATOM 0 HG2 ARG A 203 11.657 0.418 1.292 1.00 15.00 H new ATOM 0 HG3 ARG A 203 10.114 -0.334 0.934 1.00 15.00 H new ATOM 0 HD2 ARG A 203 11.550 -0.422 3.622 1.00 15.00 H new ATOM 0 HD3 ARG A 203 10.169 0.587 3.237 1.00 15.00 H new ATOM 0 HE ARG A 203 9.268 -1.964 2.632 1.00 15.00 H new ATOM 0 HH11 ARG A 203 10.857 -0.579 5.466 1.00 15.00 H new ATOM 0 HH12 ARG A 203 9.969 -1.600 6.601 1.00 15.00 H new ATOM 0 HH21 ARG A 203 8.125 -3.249 4.095 1.00 15.00 H new ATOM 0 HH22 ARG A 203 8.429 -3.105 5.830 1.00 15.00 H new ATOM 540 N LYS A 204 11.438 -4.461 -0.666 1.00 15.00 N ATOM 541 CA LYS A 204 11.845 -5.857 -0.683 1.00 15.00 C ATOM 542 C LYS A 204 12.033 -6.372 -2.105 1.00 15.00 C ATOM 543 O LYS A 204 12.604 -7.445 -2.312 1.00 15.00 O ATOM 544 CB LYS A 204 10.815 -6.707 0.066 1.00 15.00 C ATOM 545 CG LYS A 204 11.424 -7.607 1.133 1.00 15.00 C ATOM 546 CD LYS A 204 12.314 -6.822 2.094 1.00 15.00 C ATOM 547 CE LYS A 204 11.559 -5.698 2.791 1.00 15.00 C ATOM 548 NZ LYS A 204 12.459 -4.879 3.648 1.00 15.00 N1+ ATOM 0 H LYS A 204 10.446 -4.309 -0.847 1.00 15.00 H new ATOM 0 HA LYS A 204 12.809 -5.935 -0.180 1.00 15.00 H new ATOM 0 HB2 LYS A 204 10.084 -6.048 0.533 1.00 15.00 H new ATOM 0 HB3 LYS A 204 10.275 -7.324 -0.652 1.00 15.00 H new ATOM 0 HG2 LYS A 204 10.628 -8.098 1.693 1.00 15.00 H new ATOM 0 HG3 LYS A 204 12.009 -8.393 0.655 1.00 15.00 H new ATOM 0 HD2 LYS A 204 12.724 -7.500 2.842 1.00 15.00 H new ATOM 0 HD3 LYS A 204 13.158 -6.404 1.545 1.00 15.00 H new ATOM 0 HE2 LYS A 204 11.087 -5.059 2.045 1.00 15.00 H new ATOM 0 HE3 LYS A 204 10.760 -6.120 3.401 1.00 15.00 H new ATOM 0 HZ1 LYS A 204 11.910 -4.124 4.106 1.00 15.00 H new ATOM 0 HZ2 LYS A 204 12.890 -5.484 4.376 1.00 15.00 H new ATOM 0 HZ3 LYS A 204 13.207 -4.456 3.062 1.00 15.00 H new ATOM 562 N ALA A 205 11.527 -5.631 -3.080 1.00 15.00 N ATOM 563 CA ALA A 205 11.655 -6.025 -4.473 1.00 15.00 C ATOM 564 C ALA A 205 11.904 -4.809 -5.356 1.00 15.00 C ATOM 565 O ALA A 205 10.961 -4.366 -6.043 1.00 15.00 O ATOM 566 CB ALA A 205 10.406 -6.771 -4.926 1.00 15.00 C ATOM 567 OXT ALA A 205 13.041 -4.287 -5.345 1.00 15.00 O ATOM 0 H ALA A 205 11.025 -4.756 -2.931 1.00 15.00 H new ATOM 0 HA ALA A 205 12.512 -6.692 -4.567 1.00 15.00 H new ATOM 0 HB1 ALA A 205 10.514 -7.061 -5.971 1.00 15.00 H new ATOM 0 HB2 ALA A 205 10.273 -7.663 -4.314 1.00 15.00 H new ATOM 0 HB3 ALA A 205 9.536 -6.123 -4.817 1.00 15.00 H new TER 573 ALA A 205 ATOM 574 N GLY B 204 -3.053 -15.469 -5.210 1.00 15.00 N ATOM 575 CA GLY B 204 -4.131 -15.777 -4.237 1.00 15.00 C ATOM 576 C GLY B 204 -4.327 -14.660 -3.236 1.00 15.00 C ATOM 577 O GLY B 204 -4.116 -14.837 -2.036 1.00 15.00 O ATOM 0 HA2 GLY B 204 -5.064 -15.951 -4.773 1.00 15.00 H new ATOM 0 HA3 GLY B 204 -3.890 -16.699 -3.708 1.00 15.00 H new ATOM 583 N GLU B 205 -4.733 -13.505 -3.739 1.00 15.00 N ATOM 584 CA GLU B 205 -4.946 -12.329 -2.912 1.00 15.00 C ATOM 585 C GLU B 205 -6.438 -12.045 -2.826 1.00 15.00 C ATOM 586 O GLU B 205 -7.189 -12.343 -3.762 1.00 15.00 O ATOM 587 CB GLU B 205 -4.284 -11.060 -3.485 1.00 15.00 C ATOM 588 CG GLU B 205 -2.774 -11.095 -3.794 1.00 15.00 C ATOM 589 CD GLU B 205 -2.287 -12.363 -4.462 1.00 15.00 C ATOM 590 OE1 GLU B 205 -2.651 -12.610 -5.632 1.00 15.00 O1- ATOM 591 OE2 GLU B 205 -1.538 -13.124 -3.821 1.00 15.00 O ATOM 0 H GLU B 205 -4.924 -13.357 -4.730 1.00 15.00 H new ATOM 0 HA GLU B 205 -4.502 -12.549 -1.941 1.00 15.00 H new ATOM 0 HB2 GLU B 205 -4.805 -10.801 -4.407 1.00 15.00 H new ATOM 0 HB3 GLU B 205 -4.460 -10.247 -2.780 1.00 15.00 H new ATOM 0 HG2 GLU B 205 -2.530 -10.248 -4.435 1.00 15.00 H new ATOM 0 HG3 GLU B 205 -2.225 -10.959 -2.863 1.00 15.00 H new ATOM 598 N SER B 206 -6.859 -11.464 -1.724 1.00 15.00 N ATOM 599 CA SER B 206 -8.189 -10.895 -1.634 1.00 15.00 C ATOM 600 C SER B 206 -8.096 -9.439 -2.089 1.00 15.00 C ATOM 601 O SER B 206 -7.196 -8.728 -1.649 1.00 15.00 O ATOM 602 CB SER B 206 -8.693 -10.975 -0.190 1.00 15.00 C ATOM 603 OG SER B 206 -8.543 -12.288 0.329 1.00 15.00 O ATOM 0 H SER B 206 -6.300 -11.372 -0.876 1.00 15.00 H new ATOM 0 HA SER B 206 -8.890 -11.443 -2.263 1.00 15.00 H new ATOM 0 HB2 SER B 206 -8.141 -10.269 0.431 1.00 15.00 H new ATOM 0 HB3 SER B 206 -9.742 -10.682 -0.150 1.00 15.00 H new ATOM 0 HG SER B 206 -8.870 -12.314 1.253 1.00 15.00 H new ATOM 609 N PRO B 207 -9.026 -8.974 -2.950 1.00 15.00 N ATOM 610 CA PRO B 207 -8.919 -7.659 -3.613 1.00 15.00 C ATOM 611 C PRO B 207 -8.592 -6.541 -2.628 1.00 15.00 C ATOM 612 O PRO B 207 -9.183 -6.461 -1.545 1.00 15.00 O ATOM 613 CB PRO B 207 -10.314 -7.460 -4.208 1.00 15.00 C ATOM 614 CG PRO B 207 -10.810 -8.841 -4.459 1.00 15.00 C ATOM 615 CD PRO B 207 -10.251 -9.690 -3.348 1.00 15.00 C ATOM 0 HA PRO B 207 -8.116 -7.630 -4.349 1.00 15.00 H new ATOM 0 HB2 PRO B 207 -10.966 -6.922 -3.520 1.00 15.00 H new ATOM 0 HB3 PRO B 207 -10.274 -6.879 -5.129 1.00 15.00 H new ATOM 0 HG2 PRO B 207 -11.900 -8.870 -4.462 1.00 15.00 H new ATOM 0 HG3 PRO B 207 -10.479 -9.204 -5.432 1.00 15.00 H new ATOM 0 HD2 PRO B 207 -10.952 -9.777 -2.518 1.00 15.00 H new ATOM 0 HD3 PRO B 207 -10.032 -10.702 -3.688 1.00 15.00 H new ATOM 623 N PRO B 208 -7.658 -5.645 -2.996 1.00 15.00 N ATOM 624 CA PRO B 208 -6.992 -4.725 -2.091 1.00 15.00 C ATOM 625 C PRO B 208 -7.699 -3.360 -2.043 1.00 15.00 C ATOM 626 O PRO B 208 -8.715 -3.155 -2.715 1.00 15.00 O ATOM 627 CB PRO B 208 -5.582 -4.616 -2.748 1.00 15.00 C ATOM 628 CG PRO B 208 -5.700 -5.382 -4.041 1.00 15.00 C ATOM 629 CD PRO B 208 -7.155 -5.331 -4.323 1.00 15.00 C ATOM 0 HA PRO B 208 -6.978 -5.057 -1.053 1.00 15.00 H new ATOM 0 HB2 PRO B 208 -5.309 -3.576 -2.928 1.00 15.00 H new ATOM 0 HB3 PRO B 208 -4.812 -5.042 -2.105 1.00 15.00 H new ATOM 0 HG2 PRO B 208 -5.117 -4.921 -4.839 1.00 15.00 H new ATOM 0 HG3 PRO B 208 -5.344 -6.407 -3.938 1.00 15.00 H new ATOM 0 HD2 PRO B 208 -7.481 -4.352 -4.676 1.00 15.00 H new ATOM 0 HD3 PRO B 208 -7.464 -6.059 -5.073 1.00 15.00 H new ATOM 637 N PRO B 209 -7.168 -2.421 -1.244 1.00 15.00 N ATOM 638 CA PRO B 209 -7.742 -1.081 -1.042 1.00 15.00 C ATOM 639 C PRO B 209 -8.110 -0.346 -2.325 1.00 15.00 C ATOM 640 O PRO B 209 -7.391 -0.415 -3.327 1.00 15.00 O ATOM 641 CB PRO B 209 -6.590 -0.303 -0.390 1.00 15.00 C ATOM 642 CG PRO B 209 -5.401 -1.193 -0.476 1.00 15.00 C ATOM 643 CD PRO B 209 -5.948 -2.577 -0.456 1.00 15.00 C ATOM 0 HA PRO B 209 -8.667 -1.162 -0.471 1.00 15.00 H new ATOM 0 HB2 PRO B 209 -6.412 0.639 -0.908 1.00 15.00 H new ATOM 0 HB3 PRO B 209 -6.821 -0.058 0.647 1.00 15.00 H new ATOM 0 HG2 PRO B 209 -4.835 -1.006 -1.388 1.00 15.00 H new ATOM 0 HG3 PRO B 209 -4.722 -1.026 0.360 1.00 15.00 H new ATOM 0 HD2 PRO B 209 -5.261 -3.296 -0.902 1.00 15.00 H new ATOM 0 HD3 PRO B 209 -6.156 -2.921 0.557 1.00 15.00 H new ATOM 651 N PRO B 210 -9.225 0.395 -2.288 1.00 15.00 N ATOM 652 CA PRO B 210 -9.550 1.363 -3.327 1.00 15.00 C ATOM 653 C PRO B 210 -8.539 2.506 -3.313 1.00 15.00 C ATOM 654 O PRO B 210 -8.275 3.096 -2.263 1.00 15.00 O ATOM 655 CB PRO B 210 -10.945 1.868 -2.943 1.00 15.00 C ATOM 656 CG PRO B 210 -11.083 1.565 -1.489 1.00 15.00 C ATOM 657 CD PRO B 210 -10.254 0.335 -1.238 1.00 15.00 C ATOM 0 HA PRO B 210 -9.525 0.936 -4.330 1.00 15.00 H new ATOM 0 HB2 PRO B 210 -11.043 2.937 -3.134 1.00 15.00 H new ATOM 0 HB3 PRO B 210 -11.719 1.368 -3.525 1.00 15.00 H new ATOM 0 HG2 PRO B 210 -10.734 2.400 -0.882 1.00 15.00 H new ATOM 0 HG3 PRO B 210 -12.126 1.392 -1.224 1.00 15.00 H new ATOM 0 HD2 PRO B 210 -9.812 0.345 -0.242 1.00 15.00 H new ATOM 0 HD3 PRO B 210 -10.851 -0.574 -1.313 1.00 15.00 H new ATOM 665 N TYR B 211 -7.981 2.816 -4.474 1.00 15.00 N ATOM 666 CA TYR B 211 -6.919 3.813 -4.571 1.00 15.00 C ATOM 667 C TYR B 211 -7.414 5.239 -4.268 1.00 15.00 C ATOM 668 O TYR B 211 -6.602 6.144 -4.063 1.00 15.00 O ATOM 669 CB TYR B 211 -6.221 3.767 -5.951 1.00 15.00 C ATOM 670 CG TYR B 211 -5.322 4.959 -6.169 1.00 15.00 C ATOM 671 CD1 TYR B 211 -4.046 4.983 -5.639 1.00 15.00 C ATOM 672 CD2 TYR B 211 -5.774 6.084 -6.853 1.00 15.00 C ATOM 673 CE1 TYR B 211 -3.241 6.087 -5.777 1.00 15.00 C ATOM 674 CE2 TYR B 211 -4.969 7.194 -7.003 1.00 15.00 C ATOM 675 CZ TYR B 211 -3.704 7.192 -6.461 1.00 15.00 C ATOM 676 OH TYR B 211 -2.896 8.290 -6.608 1.00 15.00 O ATOM 0 H TYR B 211 -8.244 2.393 -5.364 1.00 15.00 H new ATOM 0 HA TYR B 211 -6.190 3.552 -3.804 1.00 15.00 H new ATOM 0 HB2 TYR B 211 -5.635 2.851 -6.031 1.00 15.00 H new ATOM 0 HB3 TYR B 211 -6.975 3.732 -6.738 1.00 15.00 H new ATOM 0 HD1 TYR B 211 -3.676 4.119 -5.107 1.00 15.00 H new ATOM 0 HD2 TYR B 211 -6.769 6.088 -7.272 1.00 15.00 H new ATOM 0 HE1 TYR B 211 -2.248 6.090 -5.351 1.00 15.00 H new ATOM 0 HE2 TYR B 211 -5.329 8.058 -7.542 1.00 15.00 H new ATOM 0 HH TYR B 211 -3.372 8.981 -7.115 1.00 15.00 H new ATOM 686 N SER B 212 -8.724 5.430 -4.150 1.00 15.00 N ATOM 687 CA SER B 212 -9.311 6.763 -4.287 1.00 15.00 C ATOM 688 C SER B 212 -8.735 7.738 -3.258 1.00 15.00 C ATOM 689 O SER B 212 -8.055 8.694 -3.640 1.00 15.00 O ATOM 690 CB SER B 212 -10.830 6.668 -4.134 1.00 15.00 C ATOM 691 OG SER B 212 -11.370 5.705 -5.030 1.00 15.00 O ATOM 0 H SER B 212 -9.397 4.687 -3.961 1.00 15.00 H new ATOM 0 HA SER B 212 -9.065 7.147 -5.277 1.00 15.00 H new ATOM 0 HB2 SER B 212 -11.080 6.397 -3.108 1.00 15.00 H new ATOM 0 HB3 SER B 212 -11.281 7.642 -4.325 1.00 15.00 H new ATOM 0 HG SER B 212 -12.342 5.659 -4.914 1.00 15.00 H new ATOM 697 N ARG B 213 -8.982 7.537 -1.976 1.00 15.00 N ATOM 698 CA ARG B 213 -8.264 8.320 -0.983 1.00 15.00 C ATOM 699 C ARG B 213 -7.473 7.412 -0.064 1.00 15.00 C ATOM 700 O ARG B 213 -6.246 7.350 -0.121 1.00 15.00 O ATOM 701 CB ARG B 213 -9.233 9.161 -0.147 1.00 15.00 C ATOM 702 CG ARG B 213 -8.619 10.411 0.468 1.00 15.00 C ATOM 703 CD ARG B 213 -8.003 11.315 -0.588 1.00 15.00 C ATOM 704 NE ARG B 213 -7.648 12.630 -0.048 1.00 15.00 N ATOM 705 CZ ARG B 213 -7.213 13.647 -0.792 1.00 15.00 C ATOM 706 NH1 ARG B 213 -7.061 13.496 -2.103 1.00 15.00 N1+ ATOM 707 NH2 ARG B 213 -6.937 14.815 -0.229 1.00 15.00 N ATOM 0 H ARG B 213 -9.651 6.862 -1.605 1.00 15.00 H new ATOM 0 HA ARG B 213 -7.582 8.985 -1.513 1.00 15.00 H new ATOM 0 HB2 ARG B 213 -10.073 9.456 -0.776 1.00 15.00 H new ATOM 0 HB3 ARG B 213 -9.637 8.539 0.652 1.00 15.00 H new ATOM 0 HG2 ARG B 213 -9.385 10.961 1.015 1.00 15.00 H new ATOM 0 HG3 ARG B 213 -7.855 10.123 1.191 1.00 15.00 H new ATOM 0 HD2 ARG B 213 -7.112 10.839 -0.997 1.00 15.00 H new ATOM 0 HD3 ARG B 213 -8.705 11.440 -1.412 1.00 15.00 H new ATOM 0 HE ARG B 213 -7.739 12.776 0.957 1.00 15.00 H new ATOM 0 HH11 ARG B 213 -7.277 12.601 -2.542 1.00 15.00 H new ATOM 0 HH12 ARG B 213 -6.728 14.275 -2.671 1.00 15.00 H new ATOM 0 HH21 ARG B 213 -7.057 14.938 0.776 1.00 15.00 H new ATOM 0 HH22 ARG B 213 -6.604 15.591 -0.801 1.00 15.00 H new ATOM 721 N TYR B 214 -8.205 6.695 0.773 1.00 15.00 N ATOM 722 CA TYR B 214 -7.613 5.868 1.801 1.00 15.00 C ATOM 723 C TYR B 214 -8.009 4.409 1.643 1.00 15.00 C ATOM 724 O TYR B 214 -9.139 4.103 1.268 1.00 15.00 O ATOM 725 CB TYR B 214 -7.985 6.420 3.175 1.00 15.00 C ATOM 726 CG TYR B 214 -7.133 7.614 3.542 1.00 15.00 C ATOM 727 CD1 TYR B 214 -7.102 8.748 2.733 1.00 15.00 C ATOM 728 CD2 TYR B 214 -6.325 7.588 4.668 1.00 15.00 C ATOM 729 CE1 TYR B 214 -6.285 9.819 3.041 1.00 15.00 C ATOM 730 CE2 TYR B 214 -5.514 8.659 4.988 1.00 15.00 C ATOM 731 CZ TYR B 214 -5.495 9.771 4.170 1.00 15.00 C ATOM 732 OH TYR B 214 -4.679 10.835 4.483 1.00 15.00 O ATOM 0 H TYR B 214 -9.225 6.673 0.756 1.00 15.00 H new ATOM 0 HA TYR B 214 -6.528 5.899 1.700 1.00 15.00 H new ATOM 0 HB2 TYR B 214 -9.037 6.707 3.180 1.00 15.00 H new ATOM 0 HB3 TYR B 214 -7.863 5.640 3.927 1.00 15.00 H new ATOM 0 HD1 TYR B 214 -7.726 8.791 1.852 1.00 15.00 H new ATOM 0 HD2 TYR B 214 -6.330 6.716 5.305 1.00 15.00 H new ATOM 0 HE1 TYR B 214 -6.265 10.689 2.401 1.00 15.00 H new ATOM 0 HE2 TYR B 214 -4.897 8.627 5.874 1.00 15.00 H new ATOM 0 HH TYR B 214 -4.190 10.640 5.310 1.00 15.00 H new ATOM 742 N PRO B 215 -7.082 3.495 1.948 1.00 15.00 N ATOM 743 CA PRO B 215 -7.320 2.056 1.844 1.00 15.00 C ATOM 744 C PRO B 215 -8.296 1.541 2.886 1.00 15.00 C ATOM 745 O PRO B 215 -9.017 0.574 2.654 1.00 15.00 O ATOM 746 CB PRO B 215 -5.949 1.433 2.100 1.00 15.00 C ATOM 747 CG PRO B 215 -4.971 2.546 2.014 1.00 15.00 C ATOM 748 CD PRO B 215 -5.715 3.790 2.395 1.00 15.00 C ATOM 0 HA PRO B 215 -7.756 1.808 0.876 1.00 15.00 H new ATOM 0 HB2 PRO B 215 -5.914 0.957 3.080 1.00 15.00 H new ATOM 0 HB3 PRO B 215 -5.727 0.661 1.363 1.00 15.00 H new ATOM 0 HG2 PRO B 215 -4.129 2.376 2.684 1.00 15.00 H new ATOM 0 HG3 PRO B 215 -4.564 2.629 1.006 1.00 15.00 H new ATOM 0 HD2 PRO B 215 -5.671 3.976 3.468 1.00 15.00 H new ATOM 0 HD3 PRO B 215 -5.309 4.673 1.901 1.00 15.00 H new ATOM 756 N MET B 216 -8.279 2.168 4.046 1.00 15.00 N ATOM 757 CA MET B 216 -9.091 1.730 5.163 1.00 15.00 C ATOM 758 C MET B 216 -9.549 2.936 5.957 1.00 15.00 C ATOM 759 O MET B 216 -8.732 3.756 6.376 1.00 15.00 O ATOM 760 CB MET B 216 -8.287 0.779 6.058 1.00 15.00 C ATOM 761 CG MET B 216 -9.095 0.148 7.183 1.00 15.00 C ATOM 762 SD MET B 216 -10.450 -0.882 6.580 1.00 15.00 S ATOM 763 CE MET B 216 -9.548 -2.128 5.662 1.00 15.00 C ATOM 0 H MET B 216 -7.706 2.989 4.240 1.00 15.00 H new ATOM 0 HA MET B 216 -9.964 1.196 4.787 1.00 15.00 H new ATOM 0 HB2 MET B 216 -7.865 -0.014 5.440 1.00 15.00 H new ATOM 0 HB3 MET B 216 -7.449 1.326 6.490 1.00 15.00 H new ATOM 0 HG2 MET B 216 -8.434 -0.457 7.804 1.00 15.00 H new ATOM 0 HG3 MET B 216 -9.499 0.935 7.820 1.00 15.00 H new ATOM 0 HE1 MET B 216 -10.175 -3.010 5.533 1.00 15.00 H new ATOM 0 HE2 MET B 216 -9.273 -1.732 4.685 1.00 15.00 H new ATOM 0 HE3 MET B 216 -8.646 -2.402 6.210 1.00 15.00 H new ATOM 773 N ASP B 217 -10.848 3.047 6.154 1.00 15.00 N ATOM 774 CA ASP B 217 -11.407 4.169 6.886 1.00 15.00 C ATOM 775 C ASP B 217 -11.479 3.826 8.366 1.00 15.00 C ATOM 776 O ASP B 217 -12.392 3.071 8.754 1.00 15.00 O ATOM 777 CB ASP B 217 -12.798 4.518 6.351 1.00 15.00 C ATOM 778 CG ASP B 217 -13.358 5.786 6.967 1.00 15.00 C ATOM 779 OD1 ASP B 217 -13.014 6.886 6.484 1.00 15.00 O ATOM 780 OD2 ASP B 217 -14.151 5.694 7.929 1.00 15.00 O1- ATOM 781 OXT ASP B 217 -10.603 4.279 9.130 1.00 15.00 O ATOM 0 H ASP B 217 -11.537 2.374 5.818 1.00 15.00 H new ATOM 0 HA ASP B 217 -10.763 5.038 6.751 1.00 15.00 H new ATOM 0 HB2 ASP B 217 -12.748 4.636 5.269 1.00 15.00 H new ATOM 0 HB3 ASP B 217 -13.478 3.690 6.551 1.00 15.00 H new TER 786 ASP B 217