USER MOD reduce.3.24.130724 H: found=0, std=0, add=373, rem=0, adj=13 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= 1.15 K(o=1.9,f=-5.8!) USER MOD Set 1.2: A 198 THR OG1 : rot 123:sc= 0.763 USER MOD Set 2.1: A 182 THR OG1 : rot 21:sc= -4.31! USER MOD Set 2.2: A 184 SER OG : rot -41:sc= 1.62 USER MOD Set 2.3: A 186 GLN : amide:sc= 0.582 X(o=-2.1,f=-2.3!) USER MOD Single : A 179 MET CE :methyl 178:sc= -6.26! (180deg=-6.44!) USER MOD Single : A 181 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 183 SER OG : rot 180:sc= 0.0138 USER MOD Single : A 188 TYR OH : rot 180:sc= -0.463 USER MOD Single : A 192 HIS : no HD1:sc= -1.61! C(o=-1.6!,f=-4.9!) USER MOD Single : A 195 GLN : amide:sc= 0 K(o=0,f=-0.57) USER MOD Single : A 196 THR OG1 : rot 180:sc= 0 USER MOD Single : A 197 THR OG1 : rot 180:sc= 0 USER MOD Single : A 200 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 204 LYS NZ :NH3+ 161:sc= 1.06 (180deg=0.444) 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= 0.00793 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 11.481 7.195 6.754 1.00 15.00 N ATOM 2 CA ASP A 170 11.594 7.328 5.279 1.00 15.00 C ATOM 3 C ASP A 170 11.968 5.996 4.634 1.00 15.00 C ATOM 4 O ASP A 170 11.527 5.685 3.530 1.00 15.00 O ATOM 5 CB ASP A 170 12.628 8.398 4.915 1.00 15.00 C ATOM 6 CG ASP A 170 12.829 8.533 3.419 1.00 15.00 C ATOM 7 OD1 ASP A 170 11.903 9.002 2.728 1.00 15.00 O ATOM 8 OD2 ASP A 170 13.924 8.187 2.929 1.00 15.00 O1- ATOM 0 HA ASP A 170 10.620 7.632 4.895 1.00 15.00 H new ATOM 0 HB2 ASP A 170 12.310 9.358 5.323 1.00 15.00 H new ATOM 0 HB3 ASP A 170 13.580 8.152 5.385 1.00 15.00 H new ATOM 15 N VAL A 171 12.805 5.220 5.311 1.00 15.00 N ATOM 16 CA VAL A 171 13.235 3.927 4.784 1.00 15.00 C ATOM 17 C VAL A 171 12.180 2.831 5.004 1.00 15.00 C ATOM 18 O VAL A 171 11.826 2.125 4.061 1.00 15.00 O ATOM 19 CB VAL A 171 14.585 3.487 5.391 1.00 15.00 C ATOM 20 CG1 VAL A 171 15.046 2.168 4.789 1.00 15.00 C ATOM 21 CG2 VAL A 171 15.634 4.564 5.181 1.00 15.00 C ATOM 0 H VAL A 171 13.199 5.460 6.221 1.00 15.00 H new ATOM 0 HA VAL A 171 13.362 4.062 3.710 1.00 15.00 H new ATOM 0 HB VAL A 171 14.447 3.340 6.462 1.00 15.00 H new ATOM 0 HG11 VAL A 171 15.999 1.879 5.232 1.00 15.00 H new ATOM 0 HG12 VAL A 171 14.303 1.396 4.991 1.00 15.00 H new ATOM 0 HG13 VAL A 171 15.167 2.282 3.712 1.00 15.00 H new ATOM 0 HG21 VAL A 171 16.580 4.240 5.614 1.00 15.00 H new ATOM 0 HG22 VAL A 171 15.765 4.741 4.113 1.00 15.00 H new ATOM 0 HG23 VAL A 171 15.311 5.486 5.664 1.00 15.00 H new ATOM 31 N PRO A 172 11.652 2.660 6.242 1.00 15.00 N ATOM 32 CA PRO A 172 10.611 1.657 6.507 1.00 15.00 C ATOM 33 C PRO A 172 9.331 1.930 5.720 1.00 15.00 C ATOM 34 O PRO A 172 8.611 1.006 5.344 1.00 15.00 O ATOM 35 CB PRO A 172 10.351 1.775 8.014 1.00 15.00 C ATOM 36 CG PRO A 172 10.889 3.111 8.397 1.00 15.00 C ATOM 37 CD PRO A 172 12.040 3.374 7.471 1.00 15.00 C ATOM 0 HA PRO A 172 10.929 0.660 6.202 1.00 15.00 H new ATOM 0 HB2 PRO A 172 9.287 1.700 8.238 1.00 15.00 H new ATOM 0 HB3 PRO A 172 10.850 0.977 8.564 1.00 15.00 H new ATOM 0 HG2 PRO A 172 10.125 3.882 8.299 1.00 15.00 H new ATOM 0 HG3 PRO A 172 11.216 3.117 9.437 1.00 15.00 H new ATOM 0 HD2 PRO A 172 12.177 4.440 7.291 1.00 15.00 H new ATOM 0 HD3 PRO A 172 12.978 2.996 7.877 1.00 15.00 H new ATOM 45 N LEU A 173 9.057 3.206 5.487 1.00 15.00 N ATOM 46 CA LEU A 173 7.899 3.618 4.712 1.00 15.00 C ATOM 47 C LEU A 173 8.313 4.684 3.698 1.00 15.00 C ATOM 48 O LEU A 173 8.561 5.834 4.073 1.00 15.00 O ATOM 49 CB LEU A 173 6.795 4.177 5.623 1.00 15.00 C ATOM 50 CG LEU A 173 6.265 3.232 6.713 1.00 15.00 C ATOM 51 CD1 LEU A 173 5.192 3.932 7.531 1.00 15.00 C ATOM 52 CD2 LEU A 173 5.708 1.948 6.112 1.00 15.00 C ATOM 0 H LEU A 173 9.628 3.979 5.828 1.00 15.00 H new ATOM 0 HA LEU A 173 7.506 2.744 4.192 1.00 15.00 H new ATOM 0 HB2 LEU A 173 7.174 5.077 6.106 1.00 15.00 H new ATOM 0 HB3 LEU A 173 5.956 4.481 4.997 1.00 15.00 H new ATOM 0 HG LEU A 173 7.099 2.965 7.362 1.00 15.00 H new ATOM 0 HD11 LEU A 173 4.822 3.255 8.301 1.00 15.00 H new ATOM 0 HD12 LEU A 173 5.614 4.820 8.001 1.00 15.00 H new ATOM 0 HD13 LEU A 173 4.369 4.223 6.878 1.00 15.00 H new ATOM 0 HD21 LEU A 173 5.342 1.302 6.910 1.00 15.00 H new ATOM 0 HD22 LEU A 173 4.889 2.189 5.435 1.00 15.00 H new ATOM 0 HD23 LEU A 173 6.495 1.433 5.561 1.00 15.00 H new ATOM 64 N PRO A 174 8.452 4.299 2.418 1.00 15.00 N ATOM 65 CA PRO A 174 8.797 5.230 1.332 1.00 15.00 C ATOM 66 C PRO A 174 7.801 6.384 1.222 1.00 15.00 C ATOM 67 O PRO A 174 6.620 6.237 1.543 1.00 15.00 O ATOM 68 CB PRO A 174 8.739 4.347 0.077 1.00 15.00 C ATOM 69 CG PRO A 174 8.949 2.963 0.576 1.00 15.00 C ATOM 70 CD PRO A 174 8.302 2.921 1.927 1.00 15.00 C ATOM 0 HA PRO A 174 9.765 5.704 1.490 1.00 15.00 H new ATOM 0 HB2 PRO A 174 7.779 4.443 -0.430 1.00 15.00 H new ATOM 0 HB3 PRO A 174 9.509 4.630 -0.641 1.00 15.00 H new ATOM 0 HG2 PRO A 174 8.501 2.231 -0.096 1.00 15.00 H new ATOM 0 HG3 PRO A 174 10.011 2.727 0.642 1.00 15.00 H new ATOM 0 HD2 PRO A 174 7.254 2.629 1.862 1.00 15.00 H new ATOM 0 HD3 PRO A 174 8.792 2.204 2.585 1.00 15.00 H new ATOM 78 N ALA A 175 8.272 7.520 0.726 1.00 15.00 N ATOM 79 CA ALA A 175 7.435 8.704 0.607 1.00 15.00 C ATOM 80 C ALA A 175 6.731 8.729 -0.743 1.00 15.00 C ATOM 81 O ALA A 175 7.317 8.378 -1.768 1.00 15.00 O ATOM 82 CB ALA A 175 8.269 9.964 0.800 1.00 15.00 C ATOM 0 H ALA A 175 9.230 7.646 0.400 1.00 15.00 H new ATOM 0 HA ALA A 175 6.675 8.670 1.387 1.00 15.00 H new ATOM 0 HB1 ALA A 175 7.629 10.842 0.708 1.00 15.00 H new ATOM 0 HB2 ALA A 175 8.726 9.950 1.790 1.00 15.00 H new ATOM 0 HB3 ALA A 175 9.050 10.003 0.041 1.00 15.00 H new ATOM 88 N GLY A 176 5.471 9.140 -0.726 1.00 15.00 N ATOM 89 CA GLY A 176 4.644 9.097 -1.916 1.00 15.00 C ATOM 90 C GLY A 176 3.921 7.774 -2.015 1.00 15.00 C ATOM 91 O GLY A 176 3.350 7.427 -3.052 1.00 15.00 O ATOM 0 H GLY A 176 5.002 9.507 0.102 1.00 15.00 H new ATOM 0 HA2 GLY A 176 3.920 9.912 -1.892 1.00 15.00 H new ATOM 0 HA3 GLY A 176 5.263 9.246 -2.801 1.00 15.00 H new ATOM 95 N TRP A 177 3.919 7.056 -0.899 1.00 15.00 N ATOM 96 CA TRP A 177 3.293 5.747 -0.807 1.00 15.00 C ATOM 97 C TRP A 177 2.295 5.732 0.347 1.00 15.00 C ATOM 98 O TRP A 177 2.527 6.354 1.388 1.00 15.00 O ATOM 99 CB TRP A 177 4.350 4.663 -0.570 1.00 15.00 C ATOM 100 CG TRP A 177 5.294 4.442 -1.717 1.00 15.00 C ATOM 101 CD1 TRP A 177 6.356 5.219 -2.072 1.00 15.00 C ATOM 102 CD2 TRP A 177 5.276 3.350 -2.641 1.00 15.00 C ATOM 103 NE1 TRP A 177 6.989 4.687 -3.167 1.00 15.00 N ATOM 104 CE2 TRP A 177 6.345 3.536 -3.534 1.00 15.00 C ATOM 105 CE3 TRP A 177 4.456 2.233 -2.798 1.00 15.00 C ATOM 106 CZ2 TRP A 177 6.615 2.644 -4.568 1.00 15.00 C ATOM 107 CZ3 TRP A 177 4.722 1.348 -3.824 1.00 15.00 C ATOM 108 CH2 TRP A 177 5.795 1.558 -4.697 1.00 15.00 C ATOM 0 H TRP A 177 4.353 7.368 -0.030 1.00 15.00 H new ATOM 0 HA TRP A 177 2.777 5.544 -1.745 1.00 15.00 H new ATOM 0 HB2 TRP A 177 4.930 4.928 0.314 1.00 15.00 H new ATOM 0 HB3 TRP A 177 3.843 3.724 -0.349 1.00 15.00 H new ATOM 0 HD1 TRP A 177 6.656 6.124 -1.564 1.00 15.00 H new ATOM 0 HE1 TRP A 177 7.806 5.084 -3.632 1.00 15.00 H new ATOM 0 HE3 TRP A 177 3.626 2.063 -2.128 1.00 15.00 H new ATOM 0 HZ2 TRP A 177 7.442 2.804 -5.244 1.00 15.00 H new ATOM 0 HZ3 TRP A 177 4.092 0.480 -3.955 1.00 15.00 H new ATOM 0 HH2 TRP A 177 5.979 0.847 -5.489 1.00 15.00 H new ATOM 119 N GLU A 178 1.197 5.021 0.167 1.00 15.00 N ATOM 120 CA GLU A 178 0.214 4.856 1.224 1.00 15.00 C ATOM 121 C GLU A 178 0.466 3.529 1.931 1.00 15.00 C ATOM 122 O GLU A 178 0.385 2.469 1.310 1.00 15.00 O ATOM 123 CB GLU A 178 -1.201 4.907 0.648 1.00 15.00 C ATOM 124 CG GLU A 178 -2.280 5.078 1.702 1.00 15.00 C ATOM 125 CD GLU A 178 -2.153 6.400 2.434 1.00 15.00 C ATOM 126 OE1 GLU A 178 -2.741 7.399 1.965 1.00 15.00 O ATOM 127 OE2 GLU A 178 -1.450 6.453 3.464 1.00 15.00 O1- ATOM 0 H GLU A 178 0.962 4.546 -0.705 1.00 15.00 H new ATOM 0 HA GLU A 178 0.308 5.669 1.944 1.00 15.00 H new ATOM 0 HB2 GLU A 178 -1.265 5.731 -0.063 1.00 15.00 H new ATOM 0 HB3 GLU A 178 -1.391 3.990 0.091 1.00 15.00 H new ATOM 0 HG2 GLU A 178 -3.261 5.017 1.230 1.00 15.00 H new ATOM 0 HG3 GLU A 178 -2.220 4.259 2.419 1.00 15.00 H new ATOM 134 N MET A 179 0.773 3.594 3.221 1.00 15.00 N ATOM 135 CA MET A 179 1.289 2.431 3.941 1.00 15.00 C ATOM 136 C MET A 179 0.298 1.928 4.982 1.00 15.00 C ATOM 137 O MET A 179 -0.034 2.649 5.922 1.00 15.00 O ATOM 138 CB MET A 179 2.605 2.787 4.647 1.00 15.00 C ATOM 139 CG MET A 179 3.502 3.739 3.866 1.00 15.00 C ATOM 140 SD MET A 179 4.021 3.083 2.270 1.00 15.00 S ATOM 141 CE MET A 179 5.188 1.829 2.778 1.00 15.00 C ATOM 0 H MET A 179 0.675 4.435 3.790 1.00 15.00 H new ATOM 0 HA MET A 179 1.455 1.644 3.206 1.00 15.00 H new ATOM 0 HB2 MET A 179 2.375 3.235 5.613 1.00 15.00 H new ATOM 0 HB3 MET A 179 3.157 1.868 4.845 1.00 15.00 H new ATOM 0 HG2 MET A 179 2.973 4.679 3.710 1.00 15.00 H new ATOM 0 HG3 MET A 179 4.386 3.966 4.462 1.00 15.00 H new ATOM 0 HE1 MET A 179 5.569 1.309 1.899 1.00 15.00 H new ATOM 0 HE2 MET A 179 6.016 2.297 3.311 1.00 15.00 H new ATOM 0 HE3 MET A 179 4.692 1.115 3.435 1.00 15.00 H new ATOM 151 N ALA A 180 -0.182 0.699 4.817 1.00 15.00 N ATOM 152 CA ALA A 180 -0.987 0.069 5.854 1.00 15.00 C ATOM 153 C ALA A 180 -0.822 -1.447 5.841 1.00 15.00 C ATOM 154 O ALA A 180 -0.672 -2.064 4.783 1.00 15.00 O ATOM 155 CB ALA A 180 -2.449 0.453 5.720 1.00 15.00 C ATOM 0 H ALA A 180 -0.030 0.127 3.986 1.00 15.00 H new ATOM 0 HA ALA A 180 -0.628 0.436 6.816 1.00 15.00 H new ATOM 0 HB1 ALA A 180 -3.026 -0.032 6.507 1.00 15.00 H new ATOM 0 HB2 ALA A 180 -2.551 1.535 5.809 1.00 15.00 H new ATOM 0 HB3 ALA A 180 -2.822 0.133 4.747 1.00 15.00 H new ATOM 161 N LYS A 181 -0.849 -2.036 7.029 1.00 15.00 N ATOM 162 CA LYS A 181 -0.655 -3.474 7.195 1.00 15.00 C ATOM 163 C LYS A 181 -1.824 -4.066 7.981 1.00 15.00 C ATOM 164 O LYS A 181 -2.100 -3.635 9.102 1.00 15.00 O ATOM 165 CB LYS A 181 0.650 -3.733 7.954 1.00 15.00 C ATOM 166 CG LYS A 181 1.850 -2.972 7.406 1.00 15.00 C ATOM 167 CD LYS A 181 2.958 -2.876 8.443 1.00 15.00 C ATOM 168 CE LYS A 181 4.070 -1.932 8.005 1.00 15.00 C ATOM 169 NZ LYS A 181 5.025 -1.655 9.114 1.00 15.00 N1+ ATOM 0 H LYS A 181 -1.005 -1.534 7.903 1.00 15.00 H new ATOM 0 HA LYS A 181 -0.605 -3.943 6.212 1.00 15.00 H new ATOM 0 HB2 LYS A 181 0.509 -3.463 9.000 1.00 15.00 H new ATOM 0 HB3 LYS A 181 0.867 -4.801 7.927 1.00 15.00 H new ATOM 0 HG2 LYS A 181 2.225 -3.473 6.514 1.00 15.00 H new ATOM 0 HG3 LYS A 181 1.543 -1.971 7.104 1.00 15.00 H new ATOM 0 HD2 LYS A 181 2.540 -2.530 9.389 1.00 15.00 H new ATOM 0 HD3 LYS A 181 3.374 -3.868 8.622 1.00 15.00 H new ATOM 0 HE2 LYS A 181 4.607 -2.368 7.163 1.00 15.00 H new ATOM 0 HE3 LYS A 181 3.636 -0.995 7.656 1.00 15.00 H new ATOM 0 HZ1 LYS A 181 5.768 -1.009 8.779 1.00 15.00 H new ATOM 0 HZ2 LYS A 181 4.517 -1.216 9.908 1.00 15.00 H new ATOM 0 HZ3 LYS A 181 5.458 -2.546 9.430 1.00 15.00 H new ATOM 183 N THR A 182 -2.514 -5.042 7.400 1.00 15.00 N ATOM 184 CA THR A 182 -3.646 -5.673 8.069 1.00 15.00 C ATOM 185 C THR A 182 -3.183 -6.889 8.872 1.00 15.00 C ATOM 186 O THR A 182 -2.218 -7.566 8.488 1.00 15.00 O ATOM 187 CB THR A 182 -4.724 -6.132 7.068 1.00 15.00 C ATOM 188 OG1 THR A 182 -4.251 -7.273 6.354 1.00 15.00 O ATOM 189 CG2 THR A 182 -5.071 -5.028 6.077 1.00 15.00 C ATOM 0 H THR A 182 -2.310 -5.412 6.471 1.00 15.00 H new ATOM 0 HA THR A 182 -4.077 -4.922 8.732 1.00 15.00 H new ATOM 0 HB THR A 182 -5.624 -6.382 7.630 1.00 15.00 H new ATOM 0 HG1 THR A 182 -3.532 -7.702 6.863 1.00 15.00 H new ATOM 0 HG21 THR A 182 -5.834 -5.386 5.386 1.00 15.00 H new ATOM 0 HG22 THR A 182 -5.449 -4.160 6.617 1.00 15.00 H new ATOM 0 HG23 THR A 182 -4.178 -4.747 5.518 1.00 15.00 H new ATOM 197 N SER A 183 -3.893 -7.179 9.960 1.00 15.00 N ATOM 198 CA SER A 183 -3.544 -8.275 10.861 1.00 15.00 C ATOM 199 C SER A 183 -3.679 -9.632 10.167 1.00 15.00 C ATOM 200 O SER A 183 -3.139 -10.638 10.632 1.00 15.00 O ATOM 201 CB SER A 183 -4.439 -8.227 12.096 1.00 15.00 C ATOM 202 OG SER A 183 -4.604 -6.890 12.543 1.00 15.00 O ATOM 0 H SER A 183 -4.726 -6.661 10.242 1.00 15.00 H new ATOM 0 HA SER A 183 -2.502 -8.155 11.158 1.00 15.00 H new ATOM 0 HB2 SER A 183 -5.412 -8.661 11.864 1.00 15.00 H new ATOM 0 HB3 SER A 183 -4.002 -8.831 12.892 1.00 15.00 H new ATOM 0 HG SER A 183 -5.182 -6.879 13.334 1.00 15.00 H new ATOM 208 N SER A 184 -4.413 -9.653 9.059 1.00 15.00 N ATOM 209 CA SER A 184 -4.555 -10.848 8.239 1.00 15.00 C ATOM 210 C SER A 184 -3.235 -11.146 7.529 1.00 15.00 C ATOM 211 O SER A 184 -3.027 -12.230 6.987 1.00 15.00 O ATOM 212 CB SER A 184 -5.693 -10.689 7.226 1.00 15.00 C ATOM 213 OG SER A 184 -5.397 -9.686 6.269 1.00 15.00 O ATOM 0 H SER A 184 -4.924 -8.844 8.706 1.00 15.00 H new ATOM 0 HA SER A 184 -4.806 -11.688 8.887 1.00 15.00 H new ATOM 0 HB2 SER A 184 -5.866 -11.638 6.719 1.00 15.00 H new ATOM 0 HB3 SER A 184 -6.615 -10.434 7.749 1.00 15.00 H new ATOM 0 HG SER A 184 -4.977 -8.921 6.716 1.00 15.00 H new ATOM 219 N GLY A 185 -2.353 -10.157 7.535 1.00 15.00 N ATOM 220 CA GLY A 185 -1.105 -10.245 6.817 1.00 15.00 C ATOM 221 C GLY A 185 -1.225 -9.721 5.410 1.00 15.00 C ATOM 222 O GLY A 185 -0.693 -10.303 4.468 1.00 15.00 O ATOM 0 H GLY A 185 -2.488 -9.279 8.037 1.00 15.00 H new ATOM 0 HA2 GLY A 185 -0.340 -9.681 7.350 1.00 15.00 H new ATOM 0 HA3 GLY A 185 -0.775 -11.283 6.790 1.00 15.00 H new ATOM 226 N GLN A 186 -1.929 -8.603 5.276 1.00 15.00 N ATOM 227 CA GLN A 186 -2.003 -7.897 4.002 1.00 15.00 C ATOM 228 C GLN A 186 -1.209 -6.611 4.099 1.00 15.00 C ATOM 229 O GLN A 186 -1.594 -5.686 4.817 1.00 15.00 O ATOM 230 CB GLN A 186 -3.445 -7.559 3.600 1.00 15.00 C ATOM 231 CG GLN A 186 -4.300 -8.756 3.229 1.00 15.00 C ATOM 232 CD GLN A 186 -5.735 -8.364 2.935 1.00 15.00 C ATOM 233 OE1 GLN A 186 -6.084 -8.047 1.802 1.00 15.00 O ATOM 234 NE2 GLN A 186 -6.581 -8.388 3.954 1.00 15.00 N ATOM 0 H GLN A 186 -2.456 -8.166 6.032 1.00 15.00 H new ATOM 0 HA GLN A 186 -1.591 -8.558 3.239 1.00 15.00 H new ATOM 0 HB2 GLN A 186 -3.923 -7.031 4.425 1.00 15.00 H new ATOM 0 HB3 GLN A 186 -3.420 -6.872 2.754 1.00 15.00 H new ATOM 0 HG2 GLN A 186 -3.873 -9.249 2.355 1.00 15.00 H new ATOM 0 HG3 GLN A 186 -4.282 -9.480 4.044 1.00 15.00 H new ATOM 0 HE21 GLN A 186 -6.254 -8.657 4.882 1.00 15.00 H new ATOM 0 HE22 GLN A 186 -7.559 -8.138 3.811 1.00 15.00 H new ATOM 243 N ARG A 187 -0.087 -6.563 3.412 1.00 15.00 N ATOM 244 CA ARG A 187 0.714 -5.358 3.387 1.00 15.00 C ATOM 245 C ARG A 187 0.534 -4.653 2.051 1.00 15.00 C ATOM 246 O ARG A 187 1.224 -4.946 1.078 1.00 15.00 O ATOM 247 CB ARG A 187 2.194 -5.668 3.667 1.00 15.00 C ATOM 248 CG ARG A 187 2.816 -6.697 2.731 1.00 15.00 C ATOM 249 CD ARG A 187 4.231 -7.056 3.160 1.00 15.00 C ATOM 250 NE ARG A 187 5.088 -5.876 3.286 1.00 15.00 N ATOM 251 CZ ARG A 187 5.577 -5.438 4.448 1.00 15.00 C ATOM 252 NH1 ARG A 187 5.293 -6.084 5.572 1.00 15.00 N1+ ATOM 253 NH2 ARG A 187 6.357 -4.366 4.483 1.00 15.00 N ATOM 0 H ARG A 187 0.289 -7.339 2.867 1.00 15.00 H new ATOM 0 HA ARG A 187 0.375 -4.691 4.180 1.00 15.00 H new ATOM 0 HB2 ARG A 187 2.765 -4.742 3.598 1.00 15.00 H new ATOM 0 HB3 ARG A 187 2.289 -6.025 4.692 1.00 15.00 H new ATOM 0 HG2 ARG A 187 2.200 -7.596 2.716 1.00 15.00 H new ATOM 0 HG3 ARG A 187 2.831 -6.304 1.715 1.00 15.00 H new ATOM 0 HD2 ARG A 187 4.197 -7.581 4.114 1.00 15.00 H new ATOM 0 HD3 ARG A 187 4.666 -7.742 2.433 1.00 15.00 H new ATOM 0 HE ARG A 187 5.325 -5.360 2.439 1.00 15.00 H new ATOM 0 HH11 ARG A 187 4.701 -6.915 5.547 1.00 15.00 H new ATOM 0 HH12 ARG A 187 5.666 -5.750 6.460 1.00 15.00 H new ATOM 0 HH21 ARG A 187 6.585 -3.873 3.620 1.00 15.00 H new ATOM 0 HH22 ARG A 187 6.729 -4.035 5.373 1.00 15.00 H new ATOM 267 N TYR A 188 -0.445 -3.767 1.986 1.00 15.00 N ATOM 268 CA TYR A 188 -0.729 -3.076 0.747 1.00 15.00 C ATOM 269 C TYR A 188 -0.095 -1.704 0.762 1.00 15.00 C ATOM 270 O TYR A 188 -0.019 -1.041 1.804 1.00 15.00 O ATOM 271 CB TYR A 188 -2.240 -2.983 0.476 1.00 15.00 C ATOM 272 CG TYR A 188 -3.050 -2.262 1.535 1.00 15.00 C ATOM 273 CD1 TYR A 188 -2.919 -0.894 1.738 1.00 15.00 C ATOM 274 CD2 TYR A 188 -3.962 -2.954 2.316 1.00 15.00 C ATOM 275 CE1 TYR A 188 -3.665 -0.239 2.691 1.00 15.00 C ATOM 276 CE2 TYR A 188 -4.718 -2.301 3.277 1.00 15.00 C ATOM 277 CZ TYR A 188 -4.562 -0.947 3.460 1.00 15.00 C ATOM 278 OH TYR A 188 -5.315 -0.296 4.410 1.00 15.00 O ATOM 0 H TYR A 188 -1.048 -3.513 2.768 1.00 15.00 H new ATOM 0 HA TYR A 188 -0.296 -3.656 -0.068 1.00 15.00 H new ATOM 0 HB2 TYR A 188 -2.390 -2.477 -0.478 1.00 15.00 H new ATOM 0 HB3 TYR A 188 -2.635 -3.993 0.367 1.00 15.00 H new ATOM 0 HD1 TYR A 188 -2.218 -0.334 1.136 1.00 15.00 H new ATOM 0 HD2 TYR A 188 -4.085 -4.017 2.174 1.00 15.00 H new ATOM 0 HE1 TYR A 188 -3.548 0.825 2.835 1.00 15.00 H new ATOM 0 HE2 TYR A 188 -5.425 -2.852 3.879 1.00 15.00 H new ATOM 0 HH TYR A 188 -5.898 -0.940 4.863 1.00 15.00 H new ATOM 288 N PHE A 189 0.368 -1.291 -0.396 1.00 15.00 N ATOM 289 CA PHE A 189 1.004 -0.006 -0.539 1.00 15.00 C ATOM 290 C PHE A 189 0.454 0.699 -1.765 1.00 15.00 C ATOM 291 O PHE A 189 0.474 0.157 -2.865 1.00 15.00 O ATOM 292 CB PHE A 189 2.521 -0.182 -0.657 1.00 15.00 C ATOM 293 CG PHE A 189 3.117 -1.029 0.432 1.00 15.00 C ATOM 294 CD1 PHE A 189 3.227 -0.537 1.720 1.00 15.00 C ATOM 295 CD2 PHE A 189 3.556 -2.316 0.171 1.00 15.00 C ATOM 296 CE1 PHE A 189 3.766 -1.310 2.730 1.00 15.00 C ATOM 297 CE2 PHE A 189 4.097 -3.094 1.176 1.00 15.00 C ATOM 298 CZ PHE A 189 4.201 -2.589 2.458 1.00 15.00 C ATOM 0 H PHE A 189 0.314 -1.834 -1.258 1.00 15.00 H new ATOM 0 HA PHE A 189 0.795 0.602 0.342 1.00 15.00 H new ATOM 0 HB2 PHE A 189 2.752 -0.632 -1.623 1.00 15.00 H new ATOM 0 HB3 PHE A 189 2.994 0.800 -0.642 1.00 15.00 H new ATOM 0 HD1 PHE A 189 2.887 0.464 1.939 1.00 15.00 H new ATOM 0 HD2 PHE A 189 3.475 -2.716 -0.829 1.00 15.00 H new ATOM 0 HE1 PHE A 189 3.846 -0.913 3.731 1.00 15.00 H new ATOM 0 HE2 PHE A 189 4.438 -4.096 0.960 1.00 15.00 H new ATOM 0 HZ PHE A 189 4.623 -3.196 3.246 1.00 15.00 H new ATOM 308 N LEU A 190 -0.050 1.901 -1.575 1.00 15.00 N ATOM 309 CA LEU A 190 -0.524 2.698 -2.691 1.00 15.00 C ATOM 310 C LEU A 190 0.590 3.555 -3.254 1.00 15.00 C ATOM 311 O LEU A 190 1.326 4.180 -2.496 1.00 15.00 O ATOM 312 CB LEU A 190 -1.631 3.662 -2.275 1.00 15.00 C ATOM 313 CG LEU A 190 -3.074 3.188 -2.369 1.00 15.00 C ATOM 314 CD1 LEU A 190 -3.954 4.412 -2.577 1.00 15.00 C ATOM 315 CD2 LEU A 190 -3.273 2.202 -3.514 1.00 15.00 C ATOM 0 H LEU A 190 -0.142 2.347 -0.663 1.00 15.00 H new ATOM 0 HA LEU A 190 -0.894 1.985 -3.428 1.00 15.00 H new ATOM 0 HB2 LEU A 190 -1.445 3.956 -1.242 1.00 15.00 H new ATOM 0 HB3 LEU A 190 -1.536 4.560 -2.885 1.00 15.00 H new ATOM 0 HG LEU A 190 -3.340 2.666 -1.450 1.00 15.00 H new ATOM 0 HD11 LEU A 190 -4.997 4.103 -2.648 1.00 15.00 H new ATOM 0 HD12 LEU A 190 -3.834 5.093 -1.735 1.00 15.00 H new ATOM 0 HD13 LEU A 190 -3.662 4.918 -3.497 1.00 15.00 H new ATOM 0 HD21 LEU A 190 -4.316 1.888 -3.547 1.00 15.00 H new ATOM 0 HD22 LEU A 190 -3.009 2.681 -4.457 1.00 15.00 H new ATOM 0 HD23 LEU A 190 -2.637 1.331 -3.359 1.00 15.00 H new ATOM 327 N ASN A 191 0.693 3.635 -4.568 1.00 15.00 N ATOM 328 CA ASN A 191 1.492 4.675 -5.159 1.00 15.00 C ATOM 329 C ASN A 191 0.582 5.860 -5.369 1.00 15.00 C ATOM 330 O ASN A 191 -0.202 5.877 -6.321 1.00 15.00 O ATOM 331 CB ASN A 191 2.108 4.270 -6.506 1.00 15.00 C ATOM 332 CG ASN A 191 2.919 2.988 -6.463 1.00 15.00 C ATOM 333 OD1 ASN A 191 2.568 2.032 -5.774 1.00 15.00 O ATOM 334 ND2 ASN A 191 4.014 2.965 -7.206 1.00 15.00 N ATOM 0 H ASN A 191 0.241 3.003 -5.229 1.00 15.00 H new ATOM 0 HA ASN A 191 2.326 4.897 -4.493 1.00 15.00 H new ATOM 0 HB2 ASN A 191 1.308 4.156 -7.238 1.00 15.00 H new ATOM 0 HB3 ASN A 191 2.748 5.079 -6.857 1.00 15.00 H new ATOM 0 HD21 ASN A 191 4.603 2.132 -7.221 1.00 15.00 H new ATOM 0 HD22 ASN A 191 4.269 3.780 -7.763 1.00 15.00 H new ATOM 341 N HIS A 192 0.637 6.820 -4.442 1.00 15.00 N ATOM 342 CA HIS A 192 -0.203 8.015 -4.527 1.00 15.00 C ATOM 343 C HIS A 192 0.233 8.874 -5.714 1.00 15.00 C ATOM 344 O HIS A 192 -0.419 9.856 -6.064 1.00 15.00 O ATOM 345 CB HIS A 192 -0.127 8.848 -3.236 1.00 15.00 C ATOM 346 CG HIS A 192 -1.262 8.624 -2.270 1.00 15.00 C ATOM 347 ND1 HIS A 192 -2.448 9.329 -2.321 1.00 15.00 N ATOM 348 CD2 HIS A 192 -1.370 7.798 -1.203 1.00 15.00 C ATOM 349 CE1 HIS A 192 -3.228 8.947 -1.327 1.00 15.00 C ATOM 350 NE2 HIS A 192 -2.602 8.019 -0.631 1.00 15.00 N ATOM 0 H HIS A 192 1.251 6.793 -3.628 1.00 15.00 H new ATOM 0 HA HIS A 192 -1.234 7.690 -4.664 1.00 15.00 H new ATOM 0 HB2 HIS A 192 0.812 8.623 -2.730 1.00 15.00 H new ATOM 0 HB3 HIS A 192 -0.099 9.904 -3.503 1.00 15.00 H new ATOM 0 HD2 HIS A 192 -0.625 7.094 -0.863 1.00 15.00 H new ATOM 0 HE1 HIS A 192 -4.216 9.331 -1.118 1.00 15.00 H new ATOM 0 HE2 HIS A 192 -2.969 7.544 0.194 1.00 15.00 H new ATOM 359 N ILE A 193 1.370 8.511 -6.296 1.00 15.00 N ATOM 360 CA ILE A 193 1.902 9.195 -7.465 1.00 15.00 C ATOM 361 C ILE A 193 1.503 8.458 -8.744 1.00 15.00 C ATOM 362 O ILE A 193 0.998 9.064 -9.692 1.00 15.00 O ATOM 363 CB ILE A 193 3.441 9.292 -7.392 1.00 15.00 C ATOM 364 CG1 ILE A 193 3.866 10.004 -6.104 1.00 15.00 C ATOM 365 CG2 ILE A 193 3.990 10.018 -8.613 1.00 15.00 C ATOM 366 CD1 ILE A 193 5.363 10.028 -5.884 1.00 15.00 C ATOM 0 H ILE A 193 1.947 7.735 -5.970 1.00 15.00 H new ATOM 0 HA ILE A 193 1.483 10.201 -7.481 1.00 15.00 H new ATOM 0 HB ILE A 193 3.853 8.283 -7.383 1.00 15.00 H new ATOM 0 HG12 ILE A 193 3.495 11.029 -6.127 1.00 15.00 H new ATOM 0 HG13 ILE A 193 3.391 9.512 -5.255 1.00 15.00 H new ATOM 0 HG21 ILE A 193 5.076 10.077 -8.544 1.00 15.00 H new ATOM 0 HG22 ILE A 193 3.713 9.473 -9.515 1.00 15.00 H new ATOM 0 HG23 ILE A 193 3.574 11.025 -8.655 1.00 15.00 H new ATOM 0 HD11 ILE A 193 5.586 10.549 -4.953 1.00 15.00 H new ATOM 0 HD12 ILE A 193 5.739 9.006 -5.827 1.00 15.00 H new ATOM 0 HD13 ILE A 193 5.844 10.546 -6.713 1.00 15.00 H new ATOM 378 N ASP A 194 1.716 7.145 -8.753 1.00 15.00 N ATOM 379 CA ASP A 194 1.445 6.323 -9.933 1.00 15.00 C ATOM 380 C ASP A 194 -0.039 6.002 -10.064 1.00 15.00 C ATOM 381 O ASP A 194 -0.480 5.528 -11.114 1.00 15.00 O ATOM 382 CB ASP A 194 2.231 5.011 -9.888 1.00 15.00 C ATOM 383 CG ASP A 194 3.732 5.208 -9.853 1.00 15.00 C ATOM 384 OD1 ASP A 194 4.295 5.304 -8.743 1.00 15.00 O1- ATOM 385 OD2 ASP A 194 4.359 5.242 -10.932 1.00 15.00 O ATOM 0 H ASP A 194 2.077 6.624 -7.954 1.00 15.00 H new ATOM 0 HA ASP A 194 1.762 6.907 -10.797 1.00 15.00 H new ATOM 0 HB2 ASP A 194 1.926 4.444 -9.008 1.00 15.00 H new ATOM 0 HB3 ASP A 194 1.971 4.411 -10.760 1.00 15.00 H new ATOM 390 N GLN A 195 -0.794 6.219 -8.982 1.00 15.00 N ATOM 391 CA GLN A 195 -2.228 5.926 -8.961 1.00 15.00 C ATOM 392 C GLN A 195 -2.451 4.429 -9.155 1.00 15.00 C ATOM 393 O GLN A 195 -3.320 3.999 -9.915 1.00 15.00 O ATOM 394 CB GLN A 195 -2.942 6.744 -10.056 1.00 15.00 C ATOM 395 CG GLN A 195 -4.457 6.637 -10.036 1.00 15.00 C ATOM 396 CD GLN A 195 -5.118 7.434 -11.140 1.00 15.00 C ATOM 397 OE1 GLN A 195 -4.603 8.461 -11.582 1.00 15.00 O ATOM 398 NE2 GLN A 195 -6.271 6.968 -11.584 1.00 15.00 N ATOM 0 H GLN A 195 -0.432 6.598 -8.107 1.00 15.00 H new ATOM 0 HA GLN A 195 -2.648 6.210 -7.996 1.00 15.00 H new ATOM 0 HB2 GLN A 195 -2.663 7.792 -9.949 1.00 15.00 H new ATOM 0 HB3 GLN A 195 -2.580 6.416 -11.031 1.00 15.00 H new ATOM 0 HG2 GLN A 195 -4.744 5.589 -10.129 1.00 15.00 H new ATOM 0 HG3 GLN A 195 -4.828 6.984 -9.072 1.00 15.00 H new ATOM 0 HE21 GLN A 195 -6.661 6.113 -11.189 1.00 15.00 H new ATOM 0 HE22 GLN A 195 -6.771 7.463 -12.322 1.00 15.00 H new ATOM 407 N THR A 196 -1.683 3.626 -8.436 1.00 15.00 N ATOM 408 CA THR A 196 -1.796 2.183 -8.571 1.00 15.00 C ATOM 409 C THR A 196 -1.710 1.498 -7.211 1.00 15.00 C ATOM 410 O THR A 196 -1.079 2.012 -6.281 1.00 15.00 O ATOM 411 CB THR A 196 -0.728 1.605 -9.531 1.00 15.00 C ATOM 412 OG1 THR A 196 -1.127 0.303 -9.975 1.00 15.00 O ATOM 413 CG2 THR A 196 0.634 1.504 -8.861 1.00 15.00 C ATOM 0 H THR A 196 -0.985 3.942 -7.763 1.00 15.00 H new ATOM 0 HA THR A 196 -2.776 1.981 -9.004 1.00 15.00 H new ATOM 0 HB THR A 196 -0.645 2.285 -10.379 1.00 15.00 H new ATOM 0 HG1 THR A 196 -0.449 -0.057 -10.583 1.00 15.00 H new ATOM 0 HG21 THR A 196 1.357 1.094 -9.566 1.00 15.00 H new ATOM 0 HG22 THR A 196 0.958 2.495 -8.544 1.00 15.00 H new ATOM 0 HG23 THR A 196 0.564 0.850 -7.992 1.00 15.00 H new ATOM 421 N THR A 197 -2.379 0.360 -7.101 1.00 15.00 N ATOM 422 CA THR A 197 -2.394 -0.414 -5.875 1.00 15.00 C ATOM 423 C THR A 197 -1.323 -1.502 -5.921 1.00 15.00 C ATOM 424 O THR A 197 -1.297 -2.331 -6.832 1.00 15.00 O ATOM 425 CB THR A 197 -3.777 -1.058 -5.658 1.00 15.00 C ATOM 426 OG1 THR A 197 -4.808 -0.066 -5.795 1.00 15.00 O ATOM 427 CG2 THR A 197 -3.870 -1.701 -4.279 1.00 15.00 C ATOM 0 H THR A 197 -2.925 -0.050 -7.859 1.00 15.00 H new ATOM 0 HA THR A 197 -2.184 0.260 -5.045 1.00 15.00 H new ATOM 0 HB THR A 197 -3.912 -1.833 -6.413 1.00 15.00 H new ATOM 0 HG1 THR A 197 -5.684 -0.483 -5.657 1.00 15.00 H new ATOM 0 HG21 THR A 197 -4.856 -2.148 -4.152 1.00 15.00 H new ATOM 0 HG22 THR A 197 -3.107 -2.473 -4.185 1.00 15.00 H new ATOM 0 HG23 THR A 197 -3.714 -0.942 -3.512 1.00 15.00 H new ATOM 435 N THR A 198 -0.437 -1.480 -4.941 1.00 15.00 N ATOM 436 CA THR A 198 0.674 -2.411 -4.880 1.00 15.00 C ATOM 437 C THR A 198 0.481 -3.428 -3.741 1.00 15.00 C ATOM 438 O THR A 198 0.176 -3.046 -2.608 1.00 15.00 O ATOM 439 CB THR A 198 1.994 -1.627 -4.690 1.00 15.00 C ATOM 440 OG1 THR A 198 2.222 -0.790 -5.831 1.00 15.00 O ATOM 441 CG2 THR A 198 3.185 -2.550 -4.489 1.00 15.00 C ATOM 0 H THR A 198 -0.468 -0.817 -4.167 1.00 15.00 H new ATOM 0 HA THR A 198 0.717 -2.967 -5.816 1.00 15.00 H new ATOM 0 HB THR A 198 1.892 -1.021 -3.790 1.00 15.00 H new ATOM 0 HG1 THR A 198 2.305 0.142 -5.541 1.00 15.00 H new ATOM 0 HG21 THR A 198 4.089 -1.955 -4.360 1.00 15.00 H new ATOM 0 HG22 THR A 198 3.025 -3.163 -3.602 1.00 15.00 H new ATOM 0 HG23 THR A 198 3.297 -3.195 -5.361 1.00 15.00 H new ATOM 449 N TRP A 199 0.639 -4.721 -4.048 1.00 15.00 N ATOM 450 CA TRP A 199 0.530 -5.778 -3.041 1.00 15.00 C ATOM 451 C TRP A 199 1.901 -6.122 -2.459 1.00 15.00 C ATOM 452 O TRP A 199 2.007 -6.641 -1.351 1.00 15.00 O ATOM 453 CB TRP A 199 -0.034 -7.068 -3.648 1.00 15.00 C ATOM 454 CG TRP A 199 -1.519 -7.286 -3.560 1.00 15.00 C ATOM 455 CD1 TRP A 199 -2.315 -7.747 -4.570 1.00 15.00 C ATOM 456 CD2 TRP A 199 -2.392 -7.079 -2.436 1.00 15.00 C ATOM 457 NE1 TRP A 199 -3.594 -7.914 -4.134 1.00 15.00 N ATOM 458 CE2 TRP A 199 -3.670 -7.508 -2.839 1.00 15.00 C ATOM 459 CE3 TRP A 199 -2.233 -6.599 -1.128 1.00 15.00 C ATOM 460 CZ2 TRP A 199 -4.757 -7.486 -1.999 1.00 15.00 C ATOM 461 CZ3 TRP A 199 -3.352 -6.553 -0.306 1.00 15.00 C ATOM 462 CH2 TRP A 199 -4.596 -7.012 -0.763 1.00 15.00 C ATOM 0 H TRP A 199 0.843 -5.059 -4.989 1.00 15.00 H new ATOM 0 HA TRP A 199 -0.135 -5.398 -2.266 1.00 15.00 H new ATOM 0 HB2 TRP A 199 0.248 -7.096 -4.701 1.00 15.00 H new ATOM 0 HB3 TRP A 199 0.459 -7.911 -3.164 1.00 15.00 H new ATOM 0 HD1 TRP A 199 -1.977 -7.951 -5.575 1.00 15.00 H new ATOM 0 HE1 TRP A 199 -4.367 -8.283 -4.688 1.00 15.00 H new ATOM 0 HE3 TRP A 199 -1.267 -6.274 -0.770 1.00 15.00 H new ATOM 0 HZ2 TRP A 199 -5.720 -7.844 -2.332 1.00 15.00 H new ATOM 0 HZ3 TRP A 199 -3.263 -6.160 0.696 1.00 15.00 H new ATOM 0 HH2 TRP A 199 -5.445 -6.981 -0.097 1.00 15.00 H new ATOM 473 N GLN A 200 2.945 -5.879 -3.242 1.00 15.00 N ATOM 474 CA GLN A 200 4.284 -6.346 -2.898 1.00 15.00 C ATOM 475 C GLN A 200 5.132 -5.214 -2.325 1.00 15.00 C ATOM 476 O GLN A 200 5.115 -4.099 -2.835 1.00 15.00 O ATOM 477 CB GLN A 200 4.954 -6.936 -4.143 1.00 15.00 C ATOM 478 CG GLN A 200 6.245 -7.689 -3.858 1.00 15.00 C ATOM 479 CD GLN A 200 6.838 -8.314 -5.107 1.00 15.00 C ATOM 480 OE1 GLN A 200 6.525 -9.454 -5.457 1.00 15.00 O ATOM 481 NE2 GLN A 200 7.695 -7.570 -5.786 1.00 15.00 N ATOM 0 H GLN A 200 2.891 -5.362 -4.119 1.00 15.00 H new ATOM 0 HA GLN A 200 4.198 -7.116 -2.132 1.00 15.00 H new ATOM 0 HB2 GLN A 200 4.253 -7.611 -4.634 1.00 15.00 H new ATOM 0 HB3 GLN A 200 5.164 -6.130 -4.846 1.00 15.00 H new ATOM 0 HG2 GLN A 200 6.971 -7.006 -3.417 1.00 15.00 H new ATOM 0 HG3 GLN A 200 6.053 -8.469 -3.121 1.00 15.00 H new ATOM 0 HE21 GLN A 200 7.925 -6.631 -5.460 1.00 15.00 H new ATOM 0 HE22 GLN A 200 8.125 -7.935 -6.636 1.00 15.00 H new ATOM 490 N ASP A 201 5.886 -5.520 -1.276 1.00 15.00 N ATOM 491 CA ASP A 201 6.734 -4.529 -0.613 1.00 15.00 C ATOM 492 C ASP A 201 7.784 -3.967 -1.577 1.00 15.00 C ATOM 493 O ASP A 201 8.654 -4.694 -2.051 1.00 15.00 O ATOM 494 CB ASP A 201 7.412 -5.160 0.607 1.00 15.00 C ATOM 495 CG ASP A 201 8.244 -4.173 1.402 1.00 15.00 C ATOM 496 OD1 ASP A 201 9.438 -4.019 1.091 1.00 15.00 O ATOM 497 OD2 ASP A 201 7.709 -3.558 2.350 1.00 15.00 O1- ATOM 0 H ASP A 201 5.929 -6.451 -0.862 1.00 15.00 H new ATOM 0 HA ASP A 201 6.105 -3.701 -0.285 1.00 15.00 H new ATOM 0 HB2 ASP A 201 6.650 -5.590 1.257 1.00 15.00 H new ATOM 0 HB3 ASP A 201 8.049 -5.980 0.277 1.00 15.00 H new ATOM 502 N PRO A 202 7.693 -2.662 -1.899 1.00 15.00 N ATOM 503 CA PRO A 202 8.628 -1.992 -2.815 1.00 15.00 C ATOM 504 C PRO A 202 10.071 -1.948 -2.310 1.00 15.00 C ATOM 505 O PRO A 202 10.988 -1.633 -3.070 1.00 15.00 O ATOM 506 CB PRO A 202 8.079 -0.567 -2.948 1.00 15.00 C ATOM 507 CG PRO A 202 7.124 -0.383 -1.817 1.00 15.00 C ATOM 508 CD PRO A 202 6.628 -1.752 -1.438 1.00 15.00 C ATOM 0 HA PRO A 202 8.683 -2.538 -3.757 1.00 15.00 H new ATOM 0 HB2 PRO A 202 8.884 0.166 -2.901 1.00 15.00 H new ATOM 0 HB3 PRO A 202 7.578 -0.430 -3.907 1.00 15.00 H new ATOM 0 HG2 PRO A 202 7.615 0.098 -0.971 1.00 15.00 H new ATOM 0 HG3 PRO A 202 6.295 0.260 -2.112 1.00 15.00 H new ATOM 0 HD2 PRO A 202 6.471 -1.835 -0.363 1.00 15.00 H new ATOM 0 HD3 PRO A 202 5.676 -1.978 -1.918 1.00 15.00 H new ATOM 516 N ARG A 203 10.274 -2.223 -1.030 1.00 15.00 N ATOM 517 CA ARG A 203 11.601 -2.120 -0.436 1.00 15.00 C ATOM 518 C ARG A 203 12.376 -3.421 -0.602 1.00 15.00 C ATOM 519 O ARG A 203 13.323 -3.498 -1.388 1.00 15.00 O ATOM 520 CB ARG A 203 11.500 -1.790 1.052 1.00 15.00 C ATOM 521 CG ARG A 203 10.661 -0.567 1.366 1.00 15.00 C ATOM 522 CD ARG A 203 10.393 -0.474 2.855 1.00 15.00 C ATOM 523 NE ARG A 203 9.754 -1.690 3.362 1.00 15.00 N ATOM 524 CZ ARG A 203 9.977 -2.203 4.567 1.00 15.00 C ATOM 525 NH1 ARG A 203 10.847 -1.625 5.388 1.00 15.00 N1+ ATOM 526 NH2 ARG A 203 9.345 -3.308 4.937 1.00 15.00 N ATOM 0 H ARG A 203 9.541 -2.518 -0.384 1.00 15.00 H new ATOM 0 HA ARG A 203 12.130 -1.319 -0.953 1.00 15.00 H new ATOM 0 HB2 ARG A 203 11.079 -2.649 1.574 1.00 15.00 H new ATOM 0 HB3 ARG A 203 12.504 -1.638 1.447 1.00 15.00 H new ATOM 0 HG2 ARG A 203 11.176 0.332 1.027 1.00 15.00 H new ATOM 0 HG3 ARG A 203 9.717 -0.617 0.823 1.00 15.00 H new ATOM 0 HD2 ARG A 203 11.331 -0.306 3.385 1.00 15.00 H new ATOM 0 HD3 ARG A 203 9.754 0.386 3.058 1.00 15.00 H new ATOM 0 HE ARG A 203 9.096 -2.174 2.751 1.00 15.00 H new ATOM 0 HH11 ARG A 203 11.346 -0.785 5.094 1.00 15.00 H new ATOM 0 HH12 ARG A 203 11.016 -2.021 6.313 1.00 15.00 H new ATOM 0 HH21 ARG A 203 8.691 -3.760 4.298 1.00 15.00 H new ATOM 0 HH22 ARG A 203 9.512 -3.706 5.861 1.00 15.00 H new ATOM 540 N LYS A 204 11.956 -4.449 0.125 1.00 15.00 N ATOM 541 CA LYS A 204 12.693 -5.704 0.170 1.00 15.00 C ATOM 542 C LYS A 204 12.182 -6.683 -0.882 1.00 15.00 C ATOM 543 O LYS A 204 12.867 -7.652 -1.220 1.00 15.00 O ATOM 544 CB LYS A 204 12.569 -6.348 1.554 1.00 15.00 C ATOM 545 CG LYS A 204 11.203 -6.969 1.804 1.00 15.00 C ATOM 546 CD LYS A 204 11.189 -7.817 3.059 1.00 15.00 C ATOM 547 CE LYS A 204 9.958 -8.706 3.107 1.00 15.00 C ATOM 548 NZ LYS A 204 9.922 -9.664 1.967 1.00 15.00 N1+ ATOM 0 H LYS A 204 11.108 -4.437 0.692 1.00 15.00 H new ATOM 0 HA LYS A 204 13.739 -5.477 -0.038 1.00 15.00 H new ATOM 0 HB2 LYS A 204 13.335 -7.116 1.661 1.00 15.00 H new ATOM 0 HB3 LYS A 204 12.764 -5.595 2.317 1.00 15.00 H new ATOM 0 HG2 LYS A 204 10.456 -6.180 1.891 1.00 15.00 H new ATOM 0 HG3 LYS A 204 10.921 -7.582 0.948 1.00 15.00 H new ATOM 0 HD2 LYS A 204 12.087 -8.433 3.095 1.00 15.00 H new ATOM 0 HD3 LYS A 204 11.210 -7.172 3.937 1.00 15.00 H new ATOM 0 HE2 LYS A 204 9.945 -9.259 4.046 1.00 15.00 H new ATOM 0 HE3 LYS A 204 9.061 -8.086 3.089 1.00 15.00 H new ATOM 0 HZ1 LYS A 204 9.274 -10.446 2.191 1.00 15.00 H new ATOM 0 HZ2 LYS A 204 9.590 -9.174 1.112 1.00 15.00 H new ATOM 0 HZ3 LYS A 204 10.877 -10.042 1.801 1.00 15.00 H new ATOM 562 N ALA A 205 10.968 -6.427 -1.373 1.00 15.00 N ATOM 563 CA ALA A 205 10.280 -7.336 -2.286 1.00 15.00 C ATOM 564 C ALA A 205 10.184 -8.738 -1.684 1.00 15.00 C ATOM 565 O ALA A 205 9.499 -8.894 -0.647 1.00 15.00 O ATOM 566 CB ALA A 205 10.980 -7.372 -3.639 1.00 15.00 C ATOM 567 OXT ALA A 205 10.789 -9.678 -2.245 1.00 15.00 O ATOM 0 H ALA A 205 10.437 -5.586 -1.149 1.00 15.00 H new ATOM 0 HA ALA A 205 9.267 -6.964 -2.439 1.00 15.00 H new ATOM 0 HB1 ALA A 205 10.451 -8.055 -4.304 1.00 15.00 H new ATOM 0 HB2 ALA A 205 10.983 -6.372 -4.074 1.00 15.00 H new ATOM 0 HB3 ALA A 205 12.007 -7.714 -3.509 1.00 15.00 H new TER 573 ALA A 205 ATOM 574 N GLY B 204 -2.445 -16.233 -2.561 1.00 15.00 N ATOM 575 CA GLY B 204 -3.488 -15.580 -3.391 1.00 15.00 C ATOM 576 C GLY B 204 -4.154 -14.449 -2.644 1.00 15.00 C ATOM 577 O GLY B 204 -4.605 -14.634 -1.516 1.00 15.00 O ATOM 0 HA2 GLY B 204 -3.040 -15.199 -4.309 1.00 15.00 H new ATOM 0 HA3 GLY B 204 -4.237 -16.316 -3.684 1.00 15.00 H new ATOM 583 N GLU B 205 -4.215 -13.276 -3.259 1.00 15.00 N ATOM 584 CA GLU B 205 -4.724 -12.102 -2.570 1.00 15.00 C ATOM 585 C GLU B 205 -6.165 -11.823 -2.976 1.00 15.00 C ATOM 586 O GLU B 205 -6.543 -12.001 -4.137 1.00 15.00 O ATOM 587 CB GLU B 205 -3.878 -10.858 -2.883 1.00 15.00 C ATOM 588 CG GLU B 205 -2.370 -11.083 -3.015 1.00 15.00 C ATOM 589 CD GLU B 205 -1.798 -12.054 -2.003 1.00 15.00 C ATOM 590 OE1 GLU B 205 -1.772 -11.730 -0.799 1.00 15.00 O ATOM 591 OE2 GLU B 205 -1.345 -13.141 -2.417 1.00 15.00 O1- ATOM 0 H GLU B 205 -3.922 -13.114 -4.222 1.00 15.00 H new ATOM 0 HA GLU B 205 -4.673 -12.311 -1.502 1.00 15.00 H new ATOM 0 HB2 GLU B 205 -4.242 -10.421 -3.813 1.00 15.00 H new ATOM 0 HB3 GLU B 205 -4.047 -10.122 -2.097 1.00 15.00 H new ATOM 0 HG2 GLU B 205 -2.155 -11.452 -4.018 1.00 15.00 H new ATOM 0 HG3 GLU B 205 -1.860 -10.125 -2.912 1.00 15.00 H new ATOM 598 N SER B 206 -6.949 -11.353 -2.022 1.00 15.00 N ATOM 599 CA SER B 206 -8.293 -10.872 -2.287 1.00 15.00 C ATOM 600 C SER B 206 -8.210 -9.382 -2.604 1.00 15.00 C ATOM 601 O SER B 206 -7.328 -8.709 -2.086 1.00 15.00 O ATOM 602 CB SER B 206 -9.185 -11.116 -1.066 1.00 15.00 C ATOM 603 OG SER B 206 -9.227 -12.493 -0.726 1.00 15.00 O ATOM 0 H SER B 206 -6.672 -11.294 -1.042 1.00 15.00 H new ATOM 0 HA SER B 206 -8.729 -11.404 -3.132 1.00 15.00 H new ATOM 0 HB2 SER B 206 -8.811 -10.541 -0.219 1.00 15.00 H new ATOM 0 HB3 SER B 206 -10.194 -10.759 -1.273 1.00 15.00 H new ATOM 0 HG SER B 206 -9.802 -12.619 0.058 1.00 15.00 H new ATOM 609 N PRO B 207 -9.125 -8.844 -3.433 1.00 15.00 N ATOM 610 CA PRO B 207 -9.038 -7.456 -3.922 1.00 15.00 C ATOM 611 C PRO B 207 -8.776 -6.455 -2.795 1.00 15.00 C ATOM 612 O PRO B 207 -9.430 -6.493 -1.747 1.00 15.00 O ATOM 613 CB PRO B 207 -10.420 -7.223 -4.537 1.00 15.00 C ATOM 614 CG PRO B 207 -10.868 -8.575 -4.969 1.00 15.00 C ATOM 615 CD PRO B 207 -10.315 -9.539 -3.959 1.00 15.00 C ATOM 0 HA PRO B 207 -8.212 -7.315 -4.619 1.00 15.00 H new ATOM 0 HB2 PRO B 207 -11.109 -6.789 -3.812 1.00 15.00 H new ATOM 0 HB3 PRO B 207 -10.368 -6.534 -5.380 1.00 15.00 H new ATOM 0 HG2 PRO B 207 -11.956 -8.632 -5.007 1.00 15.00 H new ATOM 0 HG3 PRO B 207 -10.502 -8.806 -5.969 1.00 15.00 H new ATOM 0 HD2 PRO B 207 -11.037 -9.751 -3.170 1.00 15.00 H new ATOM 0 HD3 PRO B 207 -10.053 -10.493 -4.417 1.00 15.00 H new ATOM 623 N PRO B 208 -7.832 -5.526 -3.021 1.00 15.00 N ATOM 624 CA PRO B 208 -7.248 -4.661 -2.009 1.00 15.00 C ATOM 625 C PRO B 208 -8.004 -3.326 -1.930 1.00 15.00 C ATOM 626 O PRO B 208 -8.977 -3.116 -2.658 1.00 15.00 O ATOM 627 CB PRO B 208 -5.801 -4.464 -2.562 1.00 15.00 C ATOM 628 CG PRO B 208 -5.820 -5.096 -3.929 1.00 15.00 C ATOM 629 CD PRO B 208 -7.263 -5.124 -4.288 1.00 15.00 C ATOM 0 HA PRO B 208 -7.281 -5.066 -0.998 1.00 15.00 H new ATOM 0 HB2 PRO B 208 -5.540 -3.407 -2.619 1.00 15.00 H new ATOM 0 HB3 PRO B 208 -5.063 -4.940 -1.917 1.00 15.00 H new ATOM 0 HG2 PRO B 208 -5.241 -4.515 -4.646 1.00 15.00 H new ATOM 0 HG3 PRO B 208 -5.393 -6.099 -3.912 1.00 15.00 H new ATOM 0 HD2 PRO B 208 -7.629 -4.152 -4.619 1.00 15.00 H new ATOM 0 HD3 PRO B 208 -7.480 -5.834 -5.086 1.00 15.00 H new ATOM 637 N PRO B 209 -7.575 -2.422 -1.039 1.00 15.00 N ATOM 638 CA PRO B 209 -8.179 -1.093 -0.878 1.00 15.00 C ATOM 639 C PRO B 209 -8.384 -0.324 -2.178 1.00 15.00 C ATOM 640 O PRO B 209 -7.584 -0.424 -3.113 1.00 15.00 O ATOM 641 CB PRO B 209 -7.137 -0.326 -0.085 1.00 15.00 C ATOM 642 CG PRO B 209 -6.289 -1.328 0.601 1.00 15.00 C ATOM 643 CD PRO B 209 -6.509 -2.659 -0.057 1.00 15.00 C ATOM 0 HA PRO B 209 -9.166 -1.201 -0.427 1.00 15.00 H new ATOM 0 HB2 PRO B 209 -6.536 0.301 -0.744 1.00 15.00 H new ATOM 0 HB3 PRO B 209 -7.613 0.336 0.638 1.00 15.00 H new ATOM 0 HG2 PRO B 209 -5.239 -1.043 0.540 1.00 15.00 H new ATOM 0 HG3 PRO B 209 -6.544 -1.381 1.659 1.00 15.00 H new ATOM 0 HD2 PRO B 209 -5.599 -3.017 -0.540 1.00 15.00 H new ATOM 0 HD3 PRO B 209 -6.803 -3.416 0.670 1.00 15.00 H new ATOM 651 N PRO B 210 -9.451 0.488 -2.223 1.00 15.00 N ATOM 652 CA PRO B 210 -9.663 1.460 -3.293 1.00 15.00 C ATOM 653 C PRO B 210 -8.611 2.566 -3.252 1.00 15.00 C ATOM 654 O PRO B 210 -8.282 3.084 -2.185 1.00 15.00 O ATOM 655 CB PRO B 210 -11.052 2.037 -2.993 1.00 15.00 C ATOM 656 CG PRO B 210 -11.268 1.786 -1.540 1.00 15.00 C ATOM 657 CD PRO B 210 -10.543 0.508 -1.233 1.00 15.00 C ATOM 0 HA PRO B 210 -9.589 1.009 -4.283 1.00 15.00 H new ATOM 0 HB2 PRO B 210 -11.094 3.102 -3.220 1.00 15.00 H new ATOM 0 HB3 PRO B 210 -11.820 1.552 -3.596 1.00 15.00 H new ATOM 0 HG2 PRO B 210 -10.881 2.609 -0.939 1.00 15.00 H new ATOM 0 HG3 PRO B 210 -12.330 1.697 -1.312 1.00 15.00 H new ATOM 0 HD2 PRO B 210 -10.160 0.498 -0.212 1.00 15.00 H new ATOM 0 HD3 PRO B 210 -11.195 -0.359 -1.337 1.00 15.00 H new ATOM 665 N TYR B 211 -8.103 2.932 -4.419 1.00 15.00 N ATOM 666 CA TYR B 211 -7.072 3.962 -4.537 1.00 15.00 C ATOM 667 C TYR B 211 -7.603 5.363 -4.202 1.00 15.00 C ATOM 668 O TYR B 211 -6.820 6.295 -4.031 1.00 15.00 O ATOM 669 CB TYR B 211 -6.422 3.953 -5.937 1.00 15.00 C ATOM 670 CG TYR B 211 -5.475 5.117 -6.157 1.00 15.00 C ATOM 671 CD1 TYR B 211 -4.170 5.070 -5.692 1.00 15.00 C ATOM 672 CD2 TYR B 211 -5.904 6.282 -6.782 1.00 15.00 C ATOM 673 CE1 TYR B 211 -3.319 6.145 -5.841 1.00 15.00 C ATOM 674 CE2 TYR B 211 -5.054 7.359 -6.942 1.00 15.00 C ATOM 675 CZ TYR B 211 -3.765 7.287 -6.465 1.00 15.00 C ATOM 676 OH TYR B 211 -2.916 8.358 -6.617 1.00 15.00 O ATOM 0 H TYR B 211 -8.390 2.527 -5.310 1.00 15.00 H new ATOM 0 HA TYR B 211 -6.308 3.717 -3.799 1.00 15.00 H new ATOM 0 HB2 TYR B 211 -5.878 3.018 -6.073 1.00 15.00 H new ATOM 0 HB3 TYR B 211 -7.205 3.980 -6.695 1.00 15.00 H new ATOM 0 HD1 TYR B 211 -3.813 4.175 -5.204 1.00 15.00 H new ATOM 0 HD2 TYR B 211 -6.918 6.346 -7.148 1.00 15.00 H new ATOM 0 HE1 TYR B 211 -2.306 6.090 -5.469 1.00 15.00 H new ATOM 0 HE2 TYR B 211 -5.399 8.253 -7.439 1.00 15.00 H new ATOM 0 HH TYR B 211 -3.385 9.084 -7.079 1.00 15.00 H new ATOM 686 N SER B 212 -8.915 5.503 -4.042 1.00 15.00 N ATOM 687 CA SER B 212 -9.572 6.794 -4.220 1.00 15.00 C ATOM 688 C SER B 212 -9.003 7.850 -3.272 1.00 15.00 C ATOM 689 O SER B 212 -8.351 8.788 -3.737 1.00 15.00 O ATOM 690 CB SER B 212 -11.072 6.621 -3.986 1.00 15.00 C ATOM 691 OG SER B 212 -11.559 5.483 -4.682 1.00 15.00 O ATOM 0 H SER B 212 -9.544 4.740 -3.790 1.00 15.00 H new ATOM 0 HA SER B 212 -9.391 7.143 -5.237 1.00 15.00 H new ATOM 0 HB2 SER B 212 -11.269 6.513 -2.919 1.00 15.00 H new ATOM 0 HB3 SER B 212 -11.603 7.513 -4.320 1.00 15.00 H new ATOM 0 HG SER B 212 -12.521 5.387 -4.519 1.00 15.00 H new ATOM 697 N ARG B 213 -9.234 7.752 -1.971 1.00 15.00 N ATOM 698 CA ARG B 213 -8.469 8.587 -1.059 1.00 15.00 C ATOM 699 C ARG B 213 -7.677 7.748 -0.067 1.00 15.00 C ATOM 700 O ARG B 213 -6.453 7.655 -0.159 1.00 15.00 O ATOM 701 CB ARG B 213 -9.393 9.545 -0.299 1.00 15.00 C ATOM 702 CG ARG B 213 -10.025 10.614 -1.175 1.00 15.00 C ATOM 703 CD ARG B 213 -8.972 11.523 -1.792 1.00 15.00 C ATOM 704 NE ARG B 213 -9.567 12.534 -2.664 1.00 15.00 N ATOM 705 CZ ARG B 213 -8.869 13.449 -3.337 1.00 15.00 C ATOM 706 NH1 ARG B 213 -7.545 13.505 -3.223 1.00 15.00 N1+ ATOM 707 NH2 ARG B 213 -9.500 14.318 -4.116 1.00 15.00 N ATOM 0 H ARG B 213 -9.916 7.130 -1.537 1.00 15.00 H new ATOM 0 HA ARG B 213 -7.767 9.165 -1.660 1.00 15.00 H new ATOM 0 HB2 ARG B 213 -10.184 8.968 0.181 1.00 15.00 H new ATOM 0 HB3 ARG B 213 -8.825 10.029 0.495 1.00 15.00 H new ATOM 0 HG2 ARG B 213 -10.607 10.141 -1.966 1.00 15.00 H new ATOM 0 HG3 ARG B 213 -10.719 11.209 -0.581 1.00 15.00 H new ATOM 0 HD2 ARG B 213 -8.407 12.014 -1.000 1.00 15.00 H new ATOM 0 HD3 ARG B 213 -8.264 10.923 -2.363 1.00 15.00 H new ATOM 0 HE ARG B 213 -10.582 12.540 -2.764 1.00 15.00 H new ATOM 0 HH11 ARG B 213 -7.057 12.845 -2.618 1.00 15.00 H new ATOM 0 HH12 ARG B 213 -7.018 14.208 -3.741 1.00 15.00 H new ATOM 0 HH21 ARG B 213 -10.516 14.285 -4.199 1.00 15.00 H new ATOM 0 HH22 ARG B 213 -8.969 15.019 -4.632 1.00 15.00 H new ATOM 721 N TYR B 214 -8.384 7.123 0.862 1.00 15.00 N ATOM 722 CA TYR B 214 -7.756 6.295 1.880 1.00 15.00 C ATOM 723 C TYR B 214 -8.270 4.861 1.825 1.00 15.00 C ATOM 724 O TYR B 214 -9.473 4.635 1.684 1.00 15.00 O ATOM 725 CB TYR B 214 -7.932 6.932 3.263 1.00 15.00 C ATOM 726 CG TYR B 214 -6.926 8.042 3.506 1.00 15.00 C ATOM 727 CD1 TYR B 214 -6.808 9.102 2.613 1.00 15.00 C ATOM 728 CD2 TYR B 214 -6.069 8.012 4.598 1.00 15.00 C ATOM 729 CE1 TYR B 214 -5.871 10.094 2.794 1.00 15.00 C ATOM 730 CE2 TYR B 214 -5.131 9.011 4.794 1.00 15.00 C ATOM 731 CZ TYR B 214 -5.036 10.047 3.886 1.00 15.00 C ATOM 732 OH TYR B 214 -4.090 11.030 4.062 1.00 15.00 O ATOM 0 H TYR B 214 -9.400 7.174 0.932 1.00 15.00 H new ATOM 0 HA TYR B 214 -6.686 6.242 1.679 1.00 15.00 H new ATOM 0 HB2 TYR B 214 -8.942 7.331 3.353 1.00 15.00 H new ATOM 0 HB3 TYR B 214 -7.822 6.167 4.032 1.00 15.00 H new ATOM 0 HD1 TYR B 214 -7.467 9.148 1.758 1.00 15.00 H new ATOM 0 HD2 TYR B 214 -6.135 7.198 5.304 1.00 15.00 H new ATOM 0 HE1 TYR B 214 -5.792 10.904 2.084 1.00 15.00 H new ATOM 0 HE2 TYR B 214 -4.477 8.980 5.653 1.00 15.00 H new ATOM 0 HH TYR B 214 -3.582 10.852 4.881 1.00 15.00 H new ATOM 742 N PRO B 215 -7.368 3.879 1.970 1.00 15.00 N ATOM 743 CA PRO B 215 -7.706 2.456 1.840 1.00 15.00 C ATOM 744 C PRO B 215 -8.753 1.973 2.837 1.00 15.00 C ATOM 745 O PRO B 215 -9.798 1.451 2.447 1.00 15.00 O ATOM 746 CB PRO B 215 -6.378 1.746 2.113 1.00 15.00 C ATOM 747 CG PRO B 215 -5.338 2.759 1.828 1.00 15.00 C ATOM 748 CD PRO B 215 -5.934 4.075 2.238 1.00 15.00 C ATOM 0 HA PRO B 215 -8.143 2.256 0.862 1.00 15.00 H new ATOM 0 HB2 PRO B 215 -6.320 1.400 3.145 1.00 15.00 H new ATOM 0 HB3 PRO B 215 -6.261 0.869 1.476 1.00 15.00 H new ATOM 0 HG2 PRO B 215 -4.425 2.551 2.386 1.00 15.00 H new ATOM 0 HG3 PRO B 215 -5.072 2.761 0.771 1.00 15.00 H new ATOM 0 HD2 PRO B 215 -5.745 4.295 3.289 1.00 15.00 H new ATOM 0 HD3 PRO B 215 -5.524 4.903 1.660 1.00 15.00 H new ATOM 756 N MET B 216 -8.476 2.146 4.117 1.00 15.00 N ATOM 757 CA MET B 216 -9.324 1.579 5.151 1.00 15.00 C ATOM 758 C MET B 216 -9.902 2.668 6.042 1.00 15.00 C ATOM 759 O MET B 216 -9.170 3.502 6.572 1.00 15.00 O ATOM 760 CB MET B 216 -8.526 0.584 5.996 1.00 15.00 C ATOM 761 CG MET B 216 -9.395 -0.279 6.896 1.00 15.00 C ATOM 762 SD MET B 216 -10.523 -1.328 5.959 1.00 15.00 S ATOM 763 CE MET B 216 -11.379 -2.168 7.288 1.00 15.00 C ATOM 0 H MET B 216 -7.674 2.672 4.465 1.00 15.00 H new ATOM 0 HA MET B 216 -10.150 1.060 4.666 1.00 15.00 H new ATOM 0 HB2 MET B 216 -7.948 -0.061 5.334 1.00 15.00 H new ATOM 0 HB3 MET B 216 -7.812 1.132 6.610 1.00 15.00 H new ATOM 0 HG2 MET B 216 -8.758 -0.903 7.522 1.00 15.00 H new ATOM 0 HG3 MET B 216 -9.970 0.362 7.565 1.00 15.00 H new ATOM 0 HE1 MET B 216 -12.114 -2.856 6.870 1.00 15.00 H new ATOM 0 HE2 MET B 216 -10.660 -2.726 7.888 1.00 15.00 H new ATOM 0 HE3 MET B 216 -11.885 -1.434 7.916 1.00 15.00 H new ATOM 773 N ASP B 217 -11.214 2.631 6.212 1.00 15.00 N ATOM 774 CA ASP B 217 -11.906 3.580 7.070 1.00 15.00 C ATOM 775 C ASP B 217 -11.979 3.024 8.484 1.00 15.00 C ATOM 776 O ASP B 217 -11.306 3.572 9.378 1.00 15.00 O ATOM 777 CB ASP B 217 -13.315 3.856 6.536 1.00 15.00 C ATOM 778 CG ASP B 217 -14.031 4.951 7.304 1.00 15.00 C ATOM 779 OD1 ASP B 217 -13.845 6.139 6.958 1.00 15.00 O ATOM 780 OD2 ASP B 217 -14.801 4.634 8.237 1.00 15.00 O1- ATOM 781 OXT ASP B 217 -12.666 1.997 8.679 1.00 15.00 O ATOM 0 H ASP B 217 -11.825 1.949 5.763 1.00 15.00 H new ATOM 0 HA ASP B 217 -11.354 4.520 7.080 1.00 15.00 H new ATOM 0 HB2 ASP B 217 -13.251 4.138 5.485 1.00 15.00 H new ATOM 0 HB3 ASP B 217 -13.903 2.940 6.585 1.00 15.00 H new TER 786 ASP B 217