USER MOD reduce.3.24.130724 H: found=0, std=0, add=373, rem=0, adj=12 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= 0.802 K(o=1.1,f=-5.9!) USER MOD Set 1.2: A 198 THR OG1 : rot 121:sc= 0.314 USER MOD Set 2.1: A 184 SER OG : rot 150:sc= 0.0331 USER MOD Set 2.2: A 186 GLN : amide:sc= 0.0343 X(o=0.067,f=0.079) USER MOD Single : A 179 MET CE :methyl 173:sc= -6.07! (180deg=-6.46!) USER MOD Single : A 181 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 182 THR OG1 : rot 180:sc= -2.28! USER MOD Single : A 183 SER OG : rot 180:sc= 0 USER MOD Single : A 188 TYR OH : rot 180:sc= -1.57! USER MOD Single : A 192 HIS : no HD1:sc= -0.302 K(o=-0.3,f=-5.3!) USER MOD Single : A 195 GLN : amide:sc=-0.00248 K(o=-0.0025,f=-1) USER MOD Single : A 196 THR OG1 : rot -160:sc= -0.674 USER MOD Single : A 197 THR OG1 : rot 180:sc= 0 USER MOD Single : A 200 GLN : amide:sc= -1.13 K(o=-1.1,f=-5.5!) 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 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 170 11.477 7.534 6.650 1.00 15.00 N ATOM 2 CA ASP A 170 11.548 7.381 5.179 1.00 15.00 C ATOM 3 C ASP A 170 12.096 6.012 4.793 1.00 15.00 C ATOM 4 O ASP A 170 11.854 5.532 3.690 1.00 15.00 O ATOM 5 CB ASP A 170 12.419 8.480 4.568 1.00 15.00 C ATOM 6 CG ASP A 170 11.846 9.861 4.804 1.00 15.00 C ATOM 7 OD1 ASP A 170 11.745 10.272 5.979 1.00 15.00 O ATOM 8 OD2 ASP A 170 11.498 10.546 3.822 1.00 15.00 O1- ATOM 0 HA ASP A 170 10.535 7.469 4.787 1.00 15.00 H new ATOM 0 HB2 ASP A 170 13.421 8.426 4.994 1.00 15.00 H new ATOM 0 HB3 ASP A 170 12.519 8.308 3.496 1.00 15.00 H new ATOM 15 N VAL A 171 12.871 5.397 5.687 1.00 15.00 N ATOM 16 CA VAL A 171 13.443 4.079 5.412 1.00 15.00 C ATOM 17 C VAL A 171 12.432 2.945 5.650 1.00 15.00 C ATOM 18 O VAL A 171 12.247 2.093 4.780 1.00 15.00 O ATOM 19 CB VAL A 171 14.714 3.825 6.261 1.00 15.00 C ATOM 20 CG1 VAL A 171 15.334 2.471 5.930 1.00 15.00 C ATOM 21 CG2 VAL A 171 15.723 4.946 6.052 1.00 15.00 C ATOM 0 H VAL A 171 13.115 5.785 6.598 1.00 15.00 H new ATOM 0 HA VAL A 171 13.713 4.079 4.356 1.00 15.00 H new ATOM 0 HB VAL A 171 14.424 3.810 7.312 1.00 15.00 H new ATOM 0 HG11 VAL A 171 16.224 2.319 6.541 1.00 15.00 H new ATOM 0 HG12 VAL A 171 14.613 1.680 6.137 1.00 15.00 H new ATOM 0 HG13 VAL A 171 15.609 2.445 4.875 1.00 15.00 H new ATOM 0 HG21 VAL A 171 16.611 4.754 6.655 1.00 15.00 H new ATOM 0 HG22 VAL A 171 16.002 4.993 4.999 1.00 15.00 H new ATOM 0 HG23 VAL A 171 15.279 5.895 6.352 1.00 15.00 H new ATOM 31 N PRO A 172 11.750 2.905 6.819 1.00 15.00 N ATOM 32 CA PRO A 172 10.750 1.870 7.091 1.00 15.00 C ATOM 33 C PRO A 172 9.463 2.077 6.299 1.00 15.00 C ATOM 34 O PRO A 172 8.690 1.142 6.107 1.00 15.00 O ATOM 35 CB PRO A 172 10.486 1.996 8.591 1.00 15.00 C ATOM 36 CG PRO A 172 10.840 3.402 8.925 1.00 15.00 C ATOM 37 CD PRO A 172 11.937 3.801 7.980 1.00 15.00 C ATOM 0 HA PRO A 172 11.106 0.883 6.796 1.00 15.00 H new ATOM 0 HB2 PRO A 172 9.443 1.784 8.828 1.00 15.00 H new ATOM 0 HB3 PRO A 172 11.092 1.290 9.159 1.00 15.00 H new ATOM 0 HG2 PRO A 172 9.975 4.057 8.814 1.00 15.00 H new ATOM 0 HG3 PRO A 172 11.171 3.483 9.960 1.00 15.00 H new ATOM 0 HD2 PRO A 172 11.855 4.849 7.693 1.00 15.00 H new ATOM 0 HD3 PRO A 172 12.920 3.670 8.431 1.00 15.00 H new ATOM 45 N LEU A 173 9.229 3.310 5.869 1.00 15.00 N ATOM 46 CA LEU A 173 8.067 3.638 5.051 1.00 15.00 C ATOM 47 C LEU A 173 8.454 4.666 3.991 1.00 15.00 C ATOM 48 O LEU A 173 8.746 5.818 4.325 1.00 15.00 O ATOM 49 CB LEU A 173 6.926 4.208 5.911 1.00 15.00 C ATOM 50 CG LEU A 173 6.413 3.318 7.054 1.00 15.00 C ATOM 51 CD1 LEU A 173 5.404 4.079 7.899 1.00 15.00 C ATOM 52 CD2 LEU A 173 5.782 2.035 6.523 1.00 15.00 C ATOM 0 H LEU A 173 9.833 4.106 6.075 1.00 15.00 H new ATOM 0 HA LEU A 173 7.721 2.721 4.574 1.00 15.00 H new ATOM 0 HB2 LEU A 173 7.262 5.152 6.339 1.00 15.00 H new ATOM 0 HB3 LEU A 173 6.086 4.436 5.254 1.00 15.00 H new ATOM 0 HG LEU A 173 7.269 3.044 7.671 1.00 15.00 H new ATOM 0 HD11 LEU A 173 5.048 3.438 8.705 1.00 15.00 H new ATOM 0 HD12 LEU A 173 5.878 4.965 8.322 1.00 15.00 H new ATOM 0 HD13 LEU A 173 4.562 4.381 7.276 1.00 15.00 H new ATOM 0 HD21 LEU A 173 5.430 1.430 7.358 1.00 15.00 H new ATOM 0 HD22 LEU A 173 4.941 2.284 5.876 1.00 15.00 H new ATOM 0 HD23 LEU A 173 6.523 1.473 5.955 1.00 15.00 H new ATOM 64 N PRO A 174 8.503 4.257 2.713 1.00 15.00 N ATOM 65 CA PRO A 174 8.794 5.167 1.591 1.00 15.00 C ATOM 66 C PRO A 174 7.751 6.277 1.456 1.00 15.00 C ATOM 67 O PRO A 174 6.563 6.064 1.713 1.00 15.00 O ATOM 68 CB PRO A 174 8.750 4.246 0.361 1.00 15.00 C ATOM 69 CG PRO A 174 8.952 2.874 0.899 1.00 15.00 C ATOM 70 CD PRO A 174 8.304 2.874 2.251 1.00 15.00 C ATOM 0 HA PRO A 174 9.746 5.681 1.724 1.00 15.00 H new ATOM 0 HB2 PRO A 174 7.796 4.329 -0.160 1.00 15.00 H new ATOM 0 HB3 PRO A 174 9.529 4.507 -0.356 1.00 15.00 H new ATOM 0 HG2 PRO A 174 8.500 2.126 0.247 1.00 15.00 H new ATOM 0 HG3 PRO A 174 10.013 2.633 0.972 1.00 15.00 H new ATOM 0 HD2 PRO A 174 7.247 2.616 2.192 1.00 15.00 H new ATOM 0 HD3 PRO A 174 8.771 2.153 2.922 1.00 15.00 H new ATOM 78 N ALA A 175 8.194 7.451 1.022 1.00 15.00 N ATOM 79 CA ALA A 175 7.301 8.590 0.851 1.00 15.00 C ATOM 80 C ALA A 175 6.709 8.608 -0.555 1.00 15.00 C ATOM 81 O ALA A 175 7.368 8.227 -1.528 1.00 15.00 O ATOM 82 CB ALA A 175 8.037 9.889 1.140 1.00 15.00 C ATOM 0 H ALA A 175 9.167 7.639 0.782 1.00 15.00 H new ATOM 0 HA ALA A 175 6.481 8.492 1.562 1.00 15.00 H new ATOM 0 HB1 ALA A 175 7.356 10.730 1.008 1.00 15.00 H new ATOM 0 HB2 ALA A 175 8.405 9.878 2.166 1.00 15.00 H new ATOM 0 HB3 ALA A 175 8.878 9.991 0.454 1.00 15.00 H new ATOM 88 N GLY A 176 5.468 9.064 -0.651 1.00 15.00 N ATOM 89 CA GLY A 176 4.710 8.956 -1.885 1.00 15.00 C ATOM 90 C GLY A 176 3.984 7.630 -1.949 1.00 15.00 C ATOM 91 O GLY A 176 3.476 7.223 -2.998 1.00 15.00 O ATOM 0 H GLY A 176 4.965 9.513 0.115 1.00 15.00 H new ATOM 0 HA2 GLY A 176 3.992 9.773 -1.950 1.00 15.00 H new ATOM 0 HA3 GLY A 176 5.380 9.052 -2.739 1.00 15.00 H new ATOM 95 N TRP A 177 3.911 6.980 -0.794 1.00 15.00 N ATOM 96 CA TRP A 177 3.297 5.670 -0.667 1.00 15.00 C ATOM 97 C TRP A 177 2.279 5.671 0.467 1.00 15.00 C ATOM 98 O TRP A 177 2.446 6.372 1.467 1.00 15.00 O ATOM 99 CB TRP A 177 4.365 4.607 -0.387 1.00 15.00 C ATOM 100 CG TRP A 177 5.327 4.389 -1.513 1.00 15.00 C ATOM 101 CD1 TRP A 177 6.396 5.168 -1.841 1.00 15.00 C ATOM 102 CD2 TRP A 177 5.314 3.313 -2.453 1.00 15.00 C ATOM 103 NE1 TRP A 177 7.043 4.650 -2.933 1.00 15.00 N ATOM 104 CE2 TRP A 177 6.398 3.509 -3.327 1.00 15.00 C ATOM 105 CE3 TRP A 177 4.489 2.203 -2.639 1.00 15.00 C ATOM 106 CZ2 TRP A 177 6.677 2.637 -4.373 1.00 15.00 C ATOM 107 CZ3 TRP A 177 4.769 1.335 -3.676 1.00 15.00 C ATOM 108 CH2 TRP A 177 5.853 1.558 -4.533 1.00 15.00 C ATOM 0 H TRP A 177 4.278 7.351 0.082 1.00 15.00 H new ATOM 0 HA TRP A 177 2.793 5.436 -1.605 1.00 15.00 H new ATOM 0 HB2 TRP A 177 4.925 4.896 0.503 1.00 15.00 H new ATOM 0 HB3 TRP A 177 3.870 3.663 -0.159 1.00 15.00 H new ATOM 0 HD1 TRP A 177 6.691 6.065 -1.316 1.00 15.00 H new ATOM 0 HE1 TRP A 177 7.869 5.049 -3.379 1.00 15.00 H new ATOM 0 HE3 TRP A 177 3.648 2.026 -1.985 1.00 15.00 H new ATOM 0 HZ2 TRP A 177 7.514 2.806 -5.035 1.00 15.00 H new ATOM 0 HZ3 TRP A 177 4.141 0.470 -3.828 1.00 15.00 H new ATOM 0 HH2 TRP A 177 6.042 0.863 -5.338 1.00 15.00 H new ATOM 119 N GLU A 178 1.232 4.883 0.306 1.00 15.00 N ATOM 120 CA GLU A 178 0.250 4.697 1.356 1.00 15.00 C ATOM 121 C GLU A 178 0.585 3.431 2.122 1.00 15.00 C ATOM 122 O GLU A 178 0.471 2.329 1.587 1.00 15.00 O ATOM 123 CB GLU A 178 -1.162 4.594 0.780 1.00 15.00 C ATOM 124 CG GLU A 178 -2.254 4.694 1.832 1.00 15.00 C ATOM 125 CD GLU A 178 -2.188 5.995 2.607 1.00 15.00 C ATOM 126 OE1 GLU A 178 -2.714 7.010 2.112 1.00 15.00 O1- ATOM 127 OE2 GLU A 178 -1.593 6.011 3.706 1.00 15.00 O ATOM 0 H GLU A 178 1.040 4.359 -0.548 1.00 15.00 H new ATOM 0 HA GLU A 178 0.279 5.560 2.021 1.00 15.00 H new ATOM 0 HB2 GLU A 178 -1.304 5.385 0.044 1.00 15.00 H new ATOM 0 HB3 GLU A 178 -1.262 3.646 0.252 1.00 15.00 H new ATOM 0 HG2 GLU A 178 -3.228 4.609 1.351 1.00 15.00 H new ATOM 0 HG3 GLU A 178 -2.167 3.856 2.524 1.00 15.00 H new ATOM 134 N MET A 179 1.016 3.593 3.359 1.00 15.00 N ATOM 135 CA MET A 179 1.478 2.468 4.151 1.00 15.00 C ATOM 136 C MET A 179 0.372 2.004 5.084 1.00 15.00 C ATOM 137 O MET A 179 0.014 2.718 6.022 1.00 15.00 O ATOM 138 CB MET A 179 2.707 2.864 4.979 1.00 15.00 C ATOM 139 CG MET A 179 3.642 3.841 4.277 1.00 15.00 C ATOM 140 SD MET A 179 4.227 3.240 2.682 1.00 15.00 S ATOM 141 CE MET A 179 5.258 1.875 3.191 1.00 15.00 C ATOM 0 H MET A 179 1.056 4.493 3.837 1.00 15.00 H new ATOM 0 HA MET A 179 1.751 1.658 3.474 1.00 15.00 H new ATOM 0 HB2 MET A 179 2.372 3.308 5.916 1.00 15.00 H new ATOM 0 HB3 MET A 179 3.265 1.963 5.234 1.00 15.00 H new ATOM 0 HG2 MET A 179 3.125 4.790 4.133 1.00 15.00 H new ATOM 0 HG3 MET A 179 4.499 4.040 4.920 1.00 15.00 H new ATOM 0 HE1 MET A 179 5.593 1.324 2.312 1.00 15.00 H new ATOM 0 HE2 MET A 179 6.124 2.255 3.733 1.00 15.00 H new ATOM 0 HE3 MET A 179 4.688 1.210 3.840 1.00 15.00 H new ATOM 151 N ALA A 180 -0.203 0.838 4.815 1.00 15.00 N ATOM 152 CA ALA A 180 -1.220 0.296 5.707 1.00 15.00 C ATOM 153 C ALA A 180 -1.213 -1.224 5.694 1.00 15.00 C ATOM 154 O ALA A 180 -1.172 -1.851 4.636 1.00 15.00 O ATOM 155 CB ALA A 180 -2.591 0.839 5.338 1.00 15.00 C ATOM 0 H ALA A 180 0.012 0.259 4.003 1.00 15.00 H new ATOM 0 HA ALA A 180 -0.985 0.615 6.723 1.00 15.00 H new ATOM 0 HB1 ALA A 180 -3.340 0.425 6.013 1.00 15.00 H new ATOM 0 HB2 ALA A 180 -2.587 1.926 5.423 1.00 15.00 H new ATOM 0 HB3 ALA A 180 -2.831 0.556 4.313 1.00 15.00 H new ATOM 161 N LYS A 181 -1.239 -1.808 6.880 1.00 15.00 N ATOM 162 CA LYS A 181 -1.176 -3.251 7.025 1.00 15.00 C ATOM 163 C LYS A 181 -2.362 -3.747 7.837 1.00 15.00 C ATOM 164 O LYS A 181 -2.637 -3.231 8.921 1.00 15.00 O ATOM 165 CB LYS A 181 0.122 -3.647 7.731 1.00 15.00 C ATOM 166 CG LYS A 181 1.379 -3.188 7.011 1.00 15.00 C ATOM 167 CD LYS A 181 2.603 -3.383 7.887 1.00 15.00 C ATOM 168 CE LYS A 181 3.887 -3.026 7.156 1.00 15.00 C ATOM 169 NZ LYS A 181 5.069 -3.083 8.058 1.00 15.00 N1+ ATOM 0 H LYS A 181 -1.304 -1.300 7.762 1.00 15.00 H new ATOM 0 HA LYS A 181 -1.204 -3.704 6.034 1.00 15.00 H new ATOM 0 HB2 LYS A 181 0.119 -3.229 8.738 1.00 15.00 H new ATOM 0 HB3 LYS A 181 0.151 -4.732 7.836 1.00 15.00 H new ATOM 0 HG2 LYS A 181 1.497 -3.748 6.083 1.00 15.00 H new ATOM 0 HG3 LYS A 181 1.285 -2.137 6.739 1.00 15.00 H new ATOM 0 HD2 LYS A 181 2.511 -2.767 8.781 1.00 15.00 H new ATOM 0 HD3 LYS A 181 2.651 -4.420 8.218 1.00 15.00 H new ATOM 0 HE2 LYS A 181 4.033 -3.712 6.321 1.00 15.00 H new ATOM 0 HE3 LYS A 181 3.799 -2.025 6.734 1.00 15.00 H new ATOM 0 HZ1 LYS A 181 5.926 -2.833 7.524 1.00 15.00 H new ATOM 0 HZ2 LYS A 181 4.941 -2.411 8.841 1.00 15.00 H new ATOM 0 HZ3 LYS A 181 5.168 -4.045 8.441 1.00 15.00 H new ATOM 183 N THR A 182 -3.049 -4.753 7.332 1.00 15.00 N ATOM 184 CA THR A 182 -4.167 -5.331 8.054 1.00 15.00 C ATOM 185 C THR A 182 -3.660 -6.463 8.940 1.00 15.00 C ATOM 186 O THR A 182 -2.688 -7.140 8.585 1.00 15.00 O ATOM 187 CB THR A 182 -5.243 -5.882 7.090 1.00 15.00 C ATOM 188 OG1 THR A 182 -4.741 -7.034 6.407 1.00 15.00 O ATOM 189 CG2 THR A 182 -5.658 -4.836 6.062 1.00 15.00 C ATOM 0 H THR A 182 -2.855 -5.186 6.429 1.00 15.00 H new ATOM 0 HA THR A 182 -4.623 -4.547 8.658 1.00 15.00 H new ATOM 0 HB THR A 182 -6.116 -6.149 7.686 1.00 15.00 H new ATOM 0 HG1 THR A 182 -5.428 -7.379 5.799 1.00 15.00 H new ATOM 0 HG21 THR A 182 -6.415 -5.256 5.400 1.00 15.00 H new ATOM 0 HG22 THR A 182 -6.067 -3.965 6.574 1.00 15.00 H new ATOM 0 HG23 THR A 182 -4.789 -4.538 5.475 1.00 15.00 H new ATOM 197 N SER A 183 -4.307 -6.671 10.085 1.00 15.00 N ATOM 198 CA SER A 183 -3.916 -7.738 11.004 1.00 15.00 C ATOM 199 C SER A 183 -4.100 -9.105 10.349 1.00 15.00 C ATOM 200 O SER A 183 -3.595 -10.118 10.830 1.00 15.00 O ATOM 201 CB SER A 183 -4.713 -7.645 12.307 1.00 15.00 C ATOM 202 OG SER A 183 -6.108 -7.617 12.055 1.00 15.00 O ATOM 0 H SER A 183 -5.103 -6.116 10.398 1.00 15.00 H new ATOM 0 HA SER A 183 -2.860 -7.617 11.244 1.00 15.00 H new ATOM 0 HB2 SER A 183 -4.473 -8.496 12.944 1.00 15.00 H new ATOM 0 HB3 SER A 183 -4.421 -6.747 12.851 1.00 15.00 H new ATOM 0 HG SER A 183 -6.593 -7.559 12.905 1.00 15.00 H new ATOM 208 N SER A 184 -4.844 -9.113 9.248 1.00 15.00 N ATOM 209 CA SER A 184 -5.027 -10.301 8.426 1.00 15.00 C ATOM 210 C SER A 184 -3.699 -10.744 7.809 1.00 15.00 C ATOM 211 O SER A 184 -3.581 -11.851 7.286 1.00 15.00 O ATOM 212 CB SER A 184 -6.059 -10.029 7.326 1.00 15.00 C ATOM 213 OG SER A 184 -6.232 -11.157 6.480 1.00 15.00 O ATOM 0 H SER A 184 -5.339 -8.291 8.900 1.00 15.00 H new ATOM 0 HA SER A 184 -5.394 -11.106 9.063 1.00 15.00 H new ATOM 0 HB2 SER A 184 -7.014 -9.764 7.780 1.00 15.00 H new ATOM 0 HB3 SER A 184 -5.740 -9.173 6.731 1.00 15.00 H new ATOM 0 HG SER A 184 -7.149 -11.169 6.134 1.00 15.00 H new ATOM 219 N GLY A 185 -2.712 -9.858 7.855 1.00 15.00 N ATOM 220 CA GLY A 185 -1.434 -10.132 7.241 1.00 15.00 C ATOM 221 C GLY A 185 -1.395 -9.661 5.808 1.00 15.00 C ATOM 222 O GLY A 185 -0.774 -10.287 4.948 1.00 15.00 O ATOM 0 H GLY A 185 -2.779 -8.948 8.311 1.00 15.00 H new ATOM 0 HA2 GLY A 185 -0.644 -9.640 7.808 1.00 15.00 H new ATOM 0 HA3 GLY A 185 -1.234 -11.203 7.278 1.00 15.00 H new ATOM 226 N GLN A 186 -2.069 -8.552 5.552 1.00 15.00 N ATOM 227 CA GLN A 186 -2.070 -7.947 4.231 1.00 15.00 C ATOM 228 C GLN A 186 -1.292 -6.644 4.264 1.00 15.00 C ATOM 229 O GLN A 186 -1.734 -5.663 4.863 1.00 15.00 O ATOM 230 CB GLN A 186 -3.496 -7.686 3.745 1.00 15.00 C ATOM 231 CG GLN A 186 -4.323 -8.945 3.568 1.00 15.00 C ATOM 232 CD GLN A 186 -5.798 -8.647 3.383 1.00 15.00 C ATOM 233 OE1 GLN A 186 -6.169 -7.610 2.838 1.00 15.00 O ATOM 234 NE2 GLN A 186 -6.652 -9.536 3.867 1.00 15.00 N ATOM 0 H GLN A 186 -2.625 -8.051 6.245 1.00 15.00 H new ATOM 0 HA GLN A 186 -1.595 -8.641 3.537 1.00 15.00 H new ATOM 0 HB2 GLN A 186 -3.998 -7.030 4.456 1.00 15.00 H new ATOM 0 HB3 GLN A 186 -3.454 -7.153 2.795 1.00 15.00 H new ATOM 0 HG2 GLN A 186 -3.956 -9.499 2.704 1.00 15.00 H new ATOM 0 HG3 GLN A 186 -4.191 -9.588 4.438 1.00 15.00 H new ATOM 0 HE21 GLN A 186 -6.306 -10.386 4.313 1.00 15.00 H new ATOM 0 HE22 GLN A 186 -7.656 -9.371 3.794 1.00 15.00 H new ATOM 243 N ARG A 187 -0.124 -6.652 3.650 1.00 15.00 N ATOM 244 CA ARG A 187 0.718 -5.472 3.595 1.00 15.00 C ATOM 245 C ARG A 187 0.582 -4.796 2.237 1.00 15.00 C ATOM 246 O ARG A 187 1.282 -5.137 1.288 1.00 15.00 O ATOM 247 CB ARG A 187 2.184 -5.838 3.893 1.00 15.00 C ATOM 248 CG ARG A 187 2.714 -7.002 3.061 1.00 15.00 C ATOM 249 CD ARG A 187 4.029 -7.543 3.600 1.00 15.00 C ATOM 250 NE ARG A 187 5.117 -6.565 3.539 1.00 15.00 N ATOM 251 CZ ARG A 187 6.260 -6.695 4.218 1.00 15.00 C ATOM 252 NH1 ARG A 187 6.425 -7.720 5.042 1.00 15.00 N1+ ATOM 253 NH2 ARG A 187 7.227 -5.794 4.094 1.00 15.00 N ATOM 0 H ARG A 187 0.265 -7.469 3.179 1.00 15.00 H new ATOM 0 HA ARG A 187 0.391 -4.768 4.360 1.00 15.00 H new ATOM 0 HB2 ARG A 187 2.810 -4.963 3.715 1.00 15.00 H new ATOM 0 HB3 ARG A 187 2.278 -6.088 4.950 1.00 15.00 H new ATOM 0 HG2 ARG A 187 1.974 -7.802 3.045 1.00 15.00 H new ATOM 0 HG3 ARG A 187 2.853 -6.676 2.030 1.00 15.00 H new ATOM 0 HD2 ARG A 187 3.889 -7.859 4.634 1.00 15.00 H new ATOM 0 HD3 ARG A 187 4.312 -8.429 3.031 1.00 15.00 H new ATOM 0 HE ARG A 187 4.996 -5.743 2.948 1.00 15.00 H new ATOM 0 HH11 ARG A 187 5.680 -8.407 5.157 1.00 15.00 H new ATOM 0 HH12 ARG A 187 7.297 -7.821 5.562 1.00 15.00 H new ATOM 0 HH21 ARG A 187 7.101 -4.993 3.476 1.00 15.00 H new ATOM 0 HH22 ARG A 187 8.096 -5.903 4.617 1.00 15.00 H new ATOM 267 N TYR A 188 -0.362 -3.874 2.129 1.00 15.00 N ATOM 268 CA TYR A 188 -0.589 -3.195 0.867 1.00 15.00 C ATOM 269 C TYR A 188 0.017 -1.800 0.906 1.00 15.00 C ATOM 270 O TYR A 188 -0.053 -1.087 1.921 1.00 15.00 O ATOM 271 CB TYR A 188 -2.089 -3.151 0.509 1.00 15.00 C ATOM 272 CG TYR A 188 -2.954 -2.369 1.472 1.00 15.00 C ATOM 273 CD1 TYR A 188 -2.960 -0.981 1.471 1.00 15.00 C ATOM 274 CD2 TYR A 188 -3.770 -3.026 2.379 1.00 15.00 C ATOM 275 CE1 TYR A 188 -3.742 -0.270 2.353 1.00 15.00 C ATOM 276 CE2 TYR A 188 -4.563 -2.321 3.267 1.00 15.00 C ATOM 277 CZ TYR A 188 -4.540 -0.947 3.254 1.00 15.00 C ATOM 278 OH TYR A 188 -5.322 -0.248 4.144 1.00 15.00 O ATOM 0 H TYR A 188 -0.975 -3.583 2.890 1.00 15.00 H new ATOM 0 HA TYR A 188 -0.093 -3.762 0.079 1.00 15.00 H new ATOM 0 HB2 TYR A 188 -2.197 -2.719 -0.486 1.00 15.00 H new ATOM 0 HB3 TYR A 188 -2.464 -4.173 0.455 1.00 15.00 H new ATOM 0 HD1 TYR A 188 -2.340 -0.449 0.765 1.00 15.00 H new ATOM 0 HD2 TYR A 188 -3.787 -4.106 2.393 1.00 15.00 H new ATOM 0 HE1 TYR A 188 -3.731 0.810 2.340 1.00 15.00 H new ATOM 0 HE2 TYR A 188 -5.196 -2.847 3.966 1.00 15.00 H new ATOM 0 HH TYR A 188 -5.821 -0.877 4.705 1.00 15.00 H new ATOM 288 N PHE A 189 0.624 -1.431 -0.201 1.00 15.00 N ATOM 289 CA PHE A 189 1.248 -0.137 -0.339 1.00 15.00 C ATOM 290 C PHE A 189 0.696 0.555 -1.576 1.00 15.00 C ATOM 291 O PHE A 189 0.765 0.022 -2.683 1.00 15.00 O ATOM 292 CB PHE A 189 2.771 -0.299 -0.437 1.00 15.00 C ATOM 293 CG PHE A 189 3.360 -1.110 0.687 1.00 15.00 C ATOM 294 CD1 PHE A 189 3.520 -0.561 1.948 1.00 15.00 C ATOM 295 CD2 PHE A 189 3.739 -2.427 0.486 1.00 15.00 C ATOM 296 CE1 PHE A 189 4.050 -1.308 2.984 1.00 15.00 C ATOM 297 CE2 PHE A 189 4.269 -3.178 1.519 1.00 15.00 C ATOM 298 CZ PHE A 189 4.424 -2.617 2.771 1.00 15.00 C ATOM 0 H PHE A 189 0.698 -2.021 -1.030 1.00 15.00 H new ATOM 0 HA PHE A 189 1.027 0.475 0.535 1.00 15.00 H new ATOM 0 HB2 PHE A 189 3.018 -0.774 -1.386 1.00 15.00 H new ATOM 0 HB3 PHE A 189 3.234 0.688 -0.445 1.00 15.00 H new ATOM 0 HD1 PHE A 189 3.227 0.463 2.125 1.00 15.00 H new ATOM 0 HD2 PHE A 189 3.619 -2.873 -0.490 1.00 15.00 H new ATOM 0 HE1 PHE A 189 4.171 -0.865 3.961 1.00 15.00 H new ATOM 0 HE2 PHE A 189 4.562 -4.203 1.347 1.00 15.00 H new ATOM 0 HZ PHE A 189 4.837 -3.202 3.580 1.00 15.00 H new ATOM 308 N LEU A 190 0.128 1.731 -1.385 1.00 15.00 N ATOM 309 CA LEU A 190 -0.411 2.497 -2.498 1.00 15.00 C ATOM 310 C LEU A 190 0.652 3.408 -3.079 1.00 15.00 C ATOM 311 O LEU A 190 1.408 4.024 -2.338 1.00 15.00 O ATOM 312 CB LEU A 190 -1.551 3.405 -2.051 1.00 15.00 C ATOM 313 CG LEU A 190 -2.969 2.853 -2.088 1.00 15.00 C ATOM 314 CD1 LEU A 190 -3.902 3.968 -2.531 1.00 15.00 C ATOM 315 CD2 LEU A 190 -3.084 1.646 -3.007 1.00 15.00 C ATOM 0 H LEU A 190 0.027 2.177 -0.473 1.00 15.00 H new ATOM 0 HA LEU A 190 -0.762 1.770 -3.230 1.00 15.00 H new ATOM 0 HB2 LEU A 190 -1.343 3.721 -1.029 1.00 15.00 H new ATOM 0 HB3 LEU A 190 -1.526 4.300 -2.672 1.00 15.00 H new ATOM 0 HG LEU A 190 -3.246 2.507 -1.092 1.00 15.00 H new ATOM 0 HD11 LEU A 190 -4.925 3.594 -2.565 1.00 15.00 H new ATOM 0 HD12 LEU A 190 -3.841 4.796 -1.824 1.00 15.00 H new ATOM 0 HD13 LEU A 190 -3.610 4.315 -3.522 1.00 15.00 H new ATOM 0 HD21 LEU A 190 -4.112 1.283 -3.004 1.00 15.00 H new ATOM 0 HD22 LEU A 190 -2.803 1.932 -4.020 1.00 15.00 H new ATOM 0 HD23 LEU A 190 -2.420 0.856 -2.656 1.00 15.00 H new ATOM 327 N ASN A 191 0.698 3.536 -4.387 1.00 15.00 N ATOM 328 CA ASN A 191 1.477 4.595 -4.979 1.00 15.00 C ATOM 329 C ASN A 191 0.564 5.794 -5.174 1.00 15.00 C ATOM 330 O ASN A 191 -0.202 5.830 -6.142 1.00 15.00 O ATOM 331 CB ASN A 191 2.081 4.193 -6.330 1.00 15.00 C ATOM 332 CG ASN A 191 2.895 2.911 -6.297 1.00 15.00 C ATOM 333 OD1 ASN A 191 2.564 1.958 -5.596 1.00 15.00 O ATOM 334 ND2 ASN A 191 3.971 2.887 -7.066 1.00 15.00 N ATOM 0 H ASN A 191 0.213 2.930 -5.049 1.00 15.00 H new ATOM 0 HA ASN A 191 2.308 4.826 -4.313 1.00 15.00 H new ATOM 0 HB2 ASN A 191 1.275 4.079 -7.055 1.00 15.00 H new ATOM 0 HB3 ASN A 191 2.717 5.004 -6.686 1.00 15.00 H new ATOM 0 HD21 ASN A 191 4.561 2.055 -7.092 1.00 15.00 H new ATOM 0 HD22 ASN A 191 4.211 3.700 -7.633 1.00 15.00 H new ATOM 341 N HIS A 192 0.602 6.752 -4.240 1.00 15.00 N ATOM 342 CA HIS A 192 -0.259 7.938 -4.331 1.00 15.00 C ATOM 343 C HIS A 192 0.122 8.776 -5.547 1.00 15.00 C ATOM 344 O HIS A 192 -0.584 9.703 -5.923 1.00 15.00 O ATOM 345 CB HIS A 192 -0.198 8.794 -3.058 1.00 15.00 C ATOM 346 CG HIS A 192 -1.282 8.488 -2.055 1.00 15.00 C ATOM 347 ND1 HIS A 192 -2.517 9.109 -2.050 1.00 15.00 N ATOM 348 CD2 HIS A 192 -1.300 7.633 -1.010 1.00 15.00 C ATOM 349 CE1 HIS A 192 -3.235 8.646 -1.046 1.00 15.00 C ATOM 350 NE2 HIS A 192 -2.527 7.755 -0.394 1.00 15.00 N ATOM 0 H HIS A 192 1.211 6.731 -3.422 1.00 15.00 H new ATOM 0 HA HIS A 192 -1.285 7.587 -4.441 1.00 15.00 H new ATOM 0 HB2 HIS A 192 0.772 8.650 -2.583 1.00 15.00 H new ATOM 0 HB3 HIS A 192 -0.263 9.846 -3.337 1.00 15.00 H new ATOM 0 HD2 HIS A 192 -0.499 6.973 -0.711 1.00 15.00 H new ATOM 0 HE1 HIS A 192 -4.242 8.951 -0.800 1.00 15.00 H new ATOM 0 HE2 HIS A 192 -2.833 7.239 0.431 1.00 15.00 H new ATOM 359 N ILE A 193 1.252 8.436 -6.148 1.00 15.00 N ATOM 360 CA ILE A 193 1.715 9.105 -7.353 1.00 15.00 C ATOM 361 C ILE A 193 1.336 8.300 -8.599 1.00 15.00 C ATOM 362 O ILE A 193 0.832 8.854 -9.575 1.00 15.00 O ATOM 363 CB ILE A 193 3.246 9.304 -7.315 1.00 15.00 C ATOM 364 CG1 ILE A 193 3.646 10.030 -6.025 1.00 15.00 C ATOM 365 CG2 ILE A 193 3.715 10.093 -8.533 1.00 15.00 C ATOM 366 CD1 ILE A 193 5.141 10.126 -5.814 1.00 15.00 C ATOM 0 H ILE A 193 1.869 7.694 -5.817 1.00 15.00 H new ATOM 0 HA ILE A 193 1.231 10.081 -7.398 1.00 15.00 H new ATOM 0 HB ILE A 193 3.726 8.326 -7.336 1.00 15.00 H new ATOM 0 HG12 ILE A 193 3.226 11.036 -6.040 1.00 15.00 H new ATOM 0 HG13 ILE A 193 3.202 9.512 -5.175 1.00 15.00 H new ATOM 0 HG21 ILE A 193 4.796 10.223 -8.488 1.00 15.00 H new ATOM 0 HG22 ILE A 193 3.452 9.551 -9.441 1.00 15.00 H new ATOM 0 HG23 ILE A 193 3.232 11.070 -8.541 1.00 15.00 H new ATOM 0 HD11 ILE A 193 5.344 10.652 -4.881 1.00 15.00 H new ATOM 0 HD12 ILE A 193 5.567 9.124 -5.765 1.00 15.00 H new ATOM 0 HD13 ILE A 193 5.591 10.671 -6.644 1.00 15.00 H new ATOM 378 N ASP A 194 1.555 6.984 -8.545 1.00 15.00 N ATOM 379 CA ASP A 194 1.333 6.110 -9.703 1.00 15.00 C ATOM 380 C ASP A 194 -0.137 5.743 -9.881 1.00 15.00 C ATOM 381 O ASP A 194 -0.523 5.249 -10.944 1.00 15.00 O ATOM 382 CB ASP A 194 2.154 4.820 -9.574 1.00 15.00 C ATOM 383 CG ASP A 194 3.641 5.052 -9.740 1.00 15.00 C ATOM 384 OD1 ASP A 194 4.101 5.188 -10.892 1.00 15.00 O ATOM 385 OD2 ASP A 194 4.357 5.084 -8.716 1.00 15.00 O1- ATOM 0 H ASP A 194 1.886 6.498 -7.711 1.00 15.00 H new ATOM 0 HA ASP A 194 1.654 6.673 -10.579 1.00 15.00 H new ATOM 0 HB2 ASP A 194 1.968 4.372 -8.598 1.00 15.00 H new ATOM 0 HB3 ASP A 194 1.817 4.104 -10.323 1.00 15.00 H new ATOM 390 N GLN A 195 -0.947 5.962 -8.836 1.00 15.00 N ATOM 391 CA GLN A 195 -2.362 5.567 -8.850 1.00 15.00 C ATOM 392 C GLN A 195 -2.442 4.047 -8.897 1.00 15.00 C ATOM 393 O GLN A 195 -3.374 3.453 -9.441 1.00 15.00 O ATOM 394 CB GLN A 195 -3.082 6.216 -10.050 1.00 15.00 C ATOM 395 CG GLN A 195 -4.596 6.048 -10.046 1.00 15.00 C ATOM 396 CD GLN A 195 -5.286 6.879 -11.108 1.00 15.00 C ATOM 397 OE1 GLN A 195 -4.805 7.943 -11.495 1.00 15.00 O ATOM 398 NE2 GLN A 195 -6.431 6.408 -11.574 1.00 15.00 N ATOM 0 H GLN A 195 -0.646 6.410 -7.971 1.00 15.00 H new ATOM 0 HA GLN A 195 -2.863 5.916 -7.947 1.00 15.00 H new ATOM 0 HB2 GLN A 195 -2.848 7.280 -10.066 1.00 15.00 H new ATOM 0 HB3 GLN A 195 -2.684 5.788 -10.970 1.00 15.00 H new ATOM 0 HG2 GLN A 195 -4.840 4.997 -10.200 1.00 15.00 H new ATOM 0 HG3 GLN A 195 -4.984 6.325 -9.066 1.00 15.00 H new ATOM 0 HE21 GLN A 195 -6.797 5.521 -11.227 1.00 15.00 H new ATOM 0 HE22 GLN A 195 -6.948 6.932 -12.280 1.00 15.00 H new ATOM 407 N THR A 196 -1.477 3.427 -8.244 1.00 15.00 N ATOM 408 CA THR A 196 -1.284 1.997 -8.351 1.00 15.00 C ATOM 409 C THR A 196 -1.348 1.323 -6.987 1.00 15.00 C ATOM 410 O THR A 196 -0.843 1.856 -6.001 1.00 15.00 O ATOM 411 CB THR A 196 0.083 1.721 -9.011 1.00 15.00 C ATOM 412 OG1 THR A 196 0.203 2.479 -10.217 1.00 15.00 O ATOM 413 CG2 THR A 196 0.288 0.256 -9.335 1.00 15.00 C ATOM 0 H THR A 196 -0.812 3.897 -7.630 1.00 15.00 H new ATOM 0 HA THR A 196 -2.086 1.583 -8.962 1.00 15.00 H new ATOM 0 HB THR A 196 0.846 2.016 -8.290 1.00 15.00 H new ATOM 0 HG1 THR A 196 0.896 2.083 -10.785 1.00 15.00 H new ATOM 0 HG21 THR A 196 1.265 0.119 -9.797 1.00 15.00 H new ATOM 0 HG22 THR A 196 0.235 -0.330 -8.418 1.00 15.00 H new ATOM 0 HG23 THR A 196 -0.489 -0.077 -10.023 1.00 15.00 H new ATOM 421 N THR A 197 -1.986 0.165 -6.939 1.00 15.00 N ATOM 422 CA THR A 197 -2.069 -0.612 -5.718 1.00 15.00 C ATOM 423 C THR A 197 -1.030 -1.731 -5.736 1.00 15.00 C ATOM 424 O THR A 197 -0.976 -2.524 -6.678 1.00 15.00 O ATOM 425 CB THR A 197 -3.472 -1.216 -5.552 1.00 15.00 C ATOM 426 OG1 THR A 197 -4.466 -0.251 -5.931 1.00 15.00 O ATOM 427 CG2 THR A 197 -3.707 -1.651 -4.114 1.00 15.00 C ATOM 0 H THR A 197 -2.456 -0.258 -7.739 1.00 15.00 H new ATOM 0 HA THR A 197 -1.871 0.053 -4.877 1.00 15.00 H new ATOM 0 HB THR A 197 -3.547 -2.092 -6.197 1.00 15.00 H new ATOM 0 HG1 THR A 197 -5.358 -0.642 -5.825 1.00 15.00 H new ATOM 0 HG21 THR A 197 -4.707 -2.075 -4.021 1.00 15.00 H new ATOM 0 HG22 THR A 197 -2.967 -2.401 -3.835 1.00 15.00 H new ATOM 0 HG23 THR A 197 -3.616 -0.789 -3.454 1.00 15.00 H new ATOM 435 N THR A 198 -0.205 -1.785 -4.706 1.00 15.00 N ATOM 436 CA THR A 198 0.894 -2.733 -4.654 1.00 15.00 C ATOM 437 C THR A 198 0.744 -3.700 -3.462 1.00 15.00 C ATOM 438 O THR A 198 0.713 -3.265 -2.311 1.00 15.00 O ATOM 439 CB THR A 198 2.221 -1.955 -4.544 1.00 15.00 C ATOM 440 OG1 THR A 198 2.316 -1.004 -5.617 1.00 15.00 O ATOM 441 CG2 THR A 198 3.422 -2.877 -4.589 1.00 15.00 C ATOM 0 H THR A 198 -0.276 -1.179 -3.889 1.00 15.00 H new ATOM 0 HA THR A 198 0.887 -3.331 -5.565 1.00 15.00 H new ATOM 0 HB THR A 198 2.223 -1.443 -3.582 1.00 15.00 H new ATOM 0 HG1 THR A 198 2.401 -0.101 -5.247 1.00 15.00 H new ATOM 0 HG21 THR A 198 4.336 -2.288 -4.509 1.00 15.00 H new ATOM 0 HG22 THR A 198 3.371 -3.582 -3.760 1.00 15.00 H new ATOM 0 HG23 THR A 198 3.425 -3.425 -5.531 1.00 15.00 H new ATOM 449 N TRP A 199 0.625 -5.005 -3.739 1.00 15.00 N ATOM 450 CA TRP A 199 0.545 -6.020 -2.678 1.00 15.00 C ATOM 451 C TRP A 199 1.920 -6.304 -2.065 1.00 15.00 C ATOM 452 O TRP A 199 2.023 -6.760 -0.929 1.00 15.00 O ATOM 453 CB TRP A 199 0.024 -7.353 -3.220 1.00 15.00 C ATOM 454 CG TRP A 199 -1.465 -7.580 -3.204 1.00 15.00 C ATOM 455 CD1 TRP A 199 -2.207 -8.050 -4.248 1.00 15.00 C ATOM 456 CD2 TRP A 199 -2.394 -7.376 -2.126 1.00 15.00 C ATOM 457 NE1 TRP A 199 -3.507 -8.221 -3.877 1.00 15.00 N ATOM 458 CE2 TRP A 199 -3.651 -7.807 -2.592 1.00 15.00 C ATOM 459 CE3 TRP A 199 -2.305 -6.891 -0.813 1.00 15.00 C ATOM 460 CZ2 TRP A 199 -4.783 -7.784 -1.807 1.00 15.00 C ATOM 461 CZ3 TRP A 199 -3.464 -6.843 -0.049 1.00 15.00 C ATOM 462 CH2 TRP A 199 -4.683 -7.306 -0.565 1.00 15.00 C ATOM 0 H TRP A 199 0.582 -5.383 -4.685 1.00 15.00 H new ATOM 0 HA TRP A 199 -0.134 -5.614 -1.928 1.00 15.00 H new ATOM 0 HB2 TRP A 199 0.368 -7.454 -4.249 1.00 15.00 H new ATOM 0 HB3 TRP A 199 0.492 -8.154 -2.647 1.00 15.00 H new ATOM 0 HD1 TRP A 199 -1.817 -8.258 -5.234 1.00 15.00 H new ATOM 0 HE1 TRP A 199 -4.249 -8.598 -4.467 1.00 15.00 H new ATOM 0 HE3 TRP A 199 -1.360 -6.563 -0.406 1.00 15.00 H new ATOM 0 HZ2 TRP A 199 -5.728 -8.144 -2.187 1.00 15.00 H new ATOM 0 HZ3 TRP A 199 -3.426 -6.444 0.954 1.00 15.00 H new ATOM 0 HH2 TRP A 199 -5.564 -7.275 0.059 1.00 15.00 H new ATOM 473 N GLN A 200 2.967 -6.092 -2.848 1.00 15.00 N ATOM 474 CA GLN A 200 4.316 -6.481 -2.443 1.00 15.00 C ATOM 475 C GLN A 200 5.134 -5.276 -2.007 1.00 15.00 C ATOM 476 O GLN A 200 4.977 -4.186 -2.541 1.00 15.00 O ATOM 477 CB GLN A 200 5.015 -7.214 -3.592 1.00 15.00 C ATOM 478 CG GLN A 200 4.428 -8.592 -3.876 1.00 15.00 C ATOM 479 CD GLN A 200 4.731 -9.605 -2.779 1.00 15.00 C ATOM 480 OE1 GLN A 200 4.913 -9.250 -1.614 1.00 15.00 O ATOM 481 NE2 GLN A 200 4.775 -10.876 -3.143 1.00 15.00 N ATOM 0 H GLN A 200 2.912 -5.653 -3.767 1.00 15.00 H new ATOM 0 HA GLN A 200 4.234 -7.151 -1.587 1.00 15.00 H new ATOM 0 HB2 GLN A 200 4.949 -6.606 -4.494 1.00 15.00 H new ATOM 0 HB3 GLN A 200 6.074 -7.320 -3.355 1.00 15.00 H new ATOM 0 HG2 GLN A 200 3.348 -8.504 -3.993 1.00 15.00 H new ATOM 0 HG3 GLN A 200 4.822 -8.961 -4.823 1.00 15.00 H new ATOM 0 HE21 GLN A 200 4.619 -11.133 -4.118 1.00 15.00 H new ATOM 0 HE22 GLN A 200 4.965 -11.599 -2.449 1.00 15.00 H new ATOM 490 N ASP A 201 6.030 -5.489 -1.053 1.00 15.00 N ATOM 491 CA ASP A 201 6.830 -4.403 -0.498 1.00 15.00 C ATOM 492 C ASP A 201 7.813 -3.858 -1.535 1.00 15.00 C ATOM 493 O ASP A 201 8.702 -4.581 -2.001 1.00 15.00 O ATOM 494 CB ASP A 201 7.596 -4.881 0.734 1.00 15.00 C ATOM 495 CG ASP A 201 8.111 -3.729 1.575 1.00 15.00 C ATOM 496 OD1 ASP A 201 8.981 -2.972 1.096 1.00 15.00 O ATOM 497 OD2 ASP A 201 7.647 -3.581 2.724 1.00 15.00 O1- ATOM 0 H ASP A 201 6.222 -6.404 -0.646 1.00 15.00 H new ATOM 0 HA ASP A 201 6.149 -3.602 -0.210 1.00 15.00 H new ATOM 0 HB2 ASP A 201 6.945 -5.509 1.342 1.00 15.00 H new ATOM 0 HB3 ASP A 201 8.435 -5.501 0.419 1.00 15.00 H new ATOM 502 N PRO A 202 7.648 -2.577 -1.922 1.00 15.00 N ATOM 503 CA PRO A 202 8.529 -1.891 -2.874 1.00 15.00 C ATOM 504 C PRO A 202 10.010 -2.007 -2.528 1.00 15.00 C ATOM 505 O PRO A 202 10.864 -2.024 -3.414 1.00 15.00 O ATOM 506 CB PRO A 202 8.101 -0.416 -2.796 1.00 15.00 C ATOM 507 CG PRO A 202 7.109 -0.327 -1.679 1.00 15.00 C ATOM 508 CD PRO A 202 6.548 -1.706 -1.493 1.00 15.00 C ATOM 0 HA PRO A 202 8.430 -2.335 -3.864 1.00 15.00 H new ATOM 0 HB2 PRO A 202 8.959 0.229 -2.607 1.00 15.00 H new ATOM 0 HB3 PRO A 202 7.658 -0.089 -3.737 1.00 15.00 H new ATOM 0 HG2 PRO A 202 7.586 0.024 -0.764 1.00 15.00 H new ATOM 0 HG3 PRO A 202 6.318 0.384 -1.919 1.00 15.00 H new ATOM 0 HD2 PRO A 202 6.270 -1.891 -0.455 1.00 15.00 H new ATOM 0 HD3 PRO A 202 5.653 -1.861 -2.096 1.00 15.00 H new ATOM 516 N ARG A 203 10.320 -2.082 -1.240 1.00 15.00 N ATOM 517 CA ARG A 203 11.708 -2.085 -0.798 1.00 15.00 C ATOM 518 C ARG A 203 12.349 -3.445 -1.026 1.00 15.00 C ATOM 519 O ARG A 203 13.573 -3.579 -1.051 1.00 15.00 O ATOM 520 CB ARG A 203 11.792 -1.691 0.672 1.00 15.00 C ATOM 521 CG ARG A 203 11.149 -0.345 0.957 1.00 15.00 C ATOM 522 CD ARG A 203 10.877 -0.157 2.437 1.00 15.00 C ATOM 523 NE ARG A 203 10.011 -1.209 2.964 1.00 15.00 N ATOM 524 CZ ARG A 203 9.879 -1.483 4.255 1.00 15.00 C ATOM 525 NH1 ARG A 203 10.630 -0.858 5.152 1.00 15.00 N1+ ATOM 526 NH2 ARG A 203 9.009 -2.401 4.648 1.00 15.00 N ATOM 0 H ARG A 203 9.634 -2.141 -0.488 1.00 15.00 H new ATOM 0 HA ARG A 203 12.258 -1.353 -1.389 1.00 15.00 H new ATOM 0 HB2 ARG A 203 11.306 -2.456 1.277 1.00 15.00 H new ATOM 0 HB3 ARG A 203 12.838 -1.661 0.976 1.00 15.00 H new ATOM 0 HG2 ARG A 203 11.802 0.453 0.602 1.00 15.00 H new ATOM 0 HG3 ARG A 203 10.215 -0.263 0.402 1.00 15.00 H new ATOM 0 HD2 ARG A 203 11.820 -0.154 2.983 1.00 15.00 H new ATOM 0 HD3 ARG A 203 10.411 0.815 2.601 1.00 15.00 H new ATOM 0 HE ARG A 203 9.475 -1.767 2.299 1.00 15.00 H new ATOM 0 HH11 ARG A 203 11.313 -0.163 4.850 1.00 15.00 H new ATOM 0 HH12 ARG A 203 10.525 -1.072 6.144 1.00 15.00 H new ATOM 0 HH21 ARG A 203 8.443 -2.895 3.959 1.00 15.00 H new ATOM 0 HH22 ARG A 203 8.905 -2.614 5.640 1.00 15.00 H new ATOM 540 N LYS A 204 11.512 -4.457 -1.193 1.00 15.00 N ATOM 541 CA LYS A 204 11.987 -5.801 -1.474 1.00 15.00 C ATOM 542 C LYS A 204 12.065 -6.044 -2.973 1.00 15.00 C ATOM 543 O LYS A 204 12.662 -7.023 -3.420 1.00 15.00 O ATOM 544 CB LYS A 204 11.100 -6.851 -0.806 1.00 15.00 C ATOM 545 CG LYS A 204 11.338 -6.974 0.692 1.00 15.00 C ATOM 546 CD LYS A 204 12.783 -7.346 0.981 1.00 15.00 C ATOM 547 CE LYS A 204 13.034 -7.534 2.469 1.00 15.00 C ATOM 548 NZ LYS A 204 14.454 -7.874 2.744 1.00 15.00 N1+ ATOM 0 H LYS A 204 10.497 -4.372 -1.138 1.00 15.00 H new ATOM 0 HA LYS A 204 12.990 -5.893 -1.058 1.00 15.00 H new ATOM 0 HB2 LYS A 204 10.054 -6.598 -0.981 1.00 15.00 H new ATOM 0 HB3 LYS A 204 11.277 -7.818 -1.276 1.00 15.00 H new ATOM 0 HG2 LYS A 204 11.096 -6.031 1.182 1.00 15.00 H new ATOM 0 HG3 LYS A 204 10.673 -7.730 1.109 1.00 15.00 H new ATOM 0 HD2 LYS A 204 13.034 -8.265 0.452 1.00 15.00 H new ATOM 0 HD3 LYS A 204 13.442 -6.567 0.597 1.00 15.00 H new ATOM 0 HE2 LYS A 204 12.768 -6.621 3.002 1.00 15.00 H new ATOM 0 HE3 LYS A 204 12.389 -8.326 2.851 1.00 15.00 H new ATOM 0 HZ1 LYS A 204 14.590 -7.995 3.768 1.00 15.00 H new ATOM 0 HZ2 LYS A 204 14.700 -8.758 2.255 1.00 15.00 H new ATOM 0 HZ3 LYS A 204 15.067 -7.107 2.402 1.00 15.00 H new ATOM 562 N ALA A 205 11.431 -5.174 -3.742 1.00 15.00 N ATOM 563 CA ALA A 205 11.475 -5.267 -5.192 1.00 15.00 C ATOM 564 C ALA A 205 12.663 -4.478 -5.737 1.00 15.00 C ATOM 565 O ALA A 205 12.473 -3.318 -6.159 1.00 15.00 O ATOM 566 CB ALA A 205 10.172 -4.768 -5.798 1.00 15.00 C ATOM 567 OXT ALA A 205 13.792 -5.013 -5.709 1.00 15.00 O ATOM 0 H ALA A 205 10.879 -4.394 -3.385 1.00 15.00 H new ATOM 0 HA ALA A 205 11.600 -6.313 -5.471 1.00 15.00 H new ATOM 0 HB1 ALA A 205 10.223 -4.845 -6.884 1.00 15.00 H new ATOM 0 HB2 ALA A 205 9.344 -5.374 -5.430 1.00 15.00 H new ATOM 0 HB3 ALA A 205 10.014 -3.727 -5.515 1.00 15.00 H new TER 573 ALA A 205 ATOM 574 N GLY B 204 -2.487 -16.043 -3.360 1.00 15.00 N ATOM 575 CA GLY B 204 -3.815 -15.795 -3.969 1.00 15.00 C ATOM 576 C GLY B 204 -4.615 -14.818 -3.144 1.00 15.00 C ATOM 577 O GLY B 204 -5.373 -15.212 -2.257 1.00 15.00 O ATOM 0 HA2 GLY B 204 -3.689 -15.405 -4.979 1.00 15.00 H new ATOM 0 HA3 GLY B 204 -4.360 -16.735 -4.056 1.00 15.00 H new ATOM 583 N GLU B 205 -4.446 -13.539 -3.439 1.00 15.00 N ATOM 584 CA GLU B 205 -5.010 -12.491 -2.609 1.00 15.00 C ATOM 585 C GLU B 205 -6.393 -12.101 -3.107 1.00 15.00 C ATOM 586 O GLU B 205 -6.682 -12.169 -4.304 1.00 15.00 O ATOM 587 CB GLU B 205 -4.113 -11.240 -2.605 1.00 15.00 C ATOM 588 CG GLU B 205 -2.608 -11.510 -2.541 1.00 15.00 C ATOM 589 CD GLU B 205 -2.236 -12.701 -1.678 1.00 15.00 C ATOM 590 OE1 GLU B 205 -2.445 -12.643 -0.453 1.00 15.00 O1- ATOM 591 OE2 GLU B 205 -1.728 -13.702 -2.241 1.00 15.00 O ATOM 0 H GLU B 205 -3.922 -13.203 -4.247 1.00 15.00 H new ATOM 0 HA GLU B 205 -5.080 -12.883 -1.594 1.00 15.00 H new ATOM 0 HB2 GLU B 205 -4.323 -10.661 -3.504 1.00 15.00 H new ATOM 0 HB3 GLU B 205 -4.390 -10.618 -1.753 1.00 15.00 H new ATOM 0 HG2 GLU B 205 -2.235 -11.675 -3.552 1.00 15.00 H new ATOM 0 HG3 GLU B 205 -2.105 -10.623 -2.156 1.00 15.00 H new ATOM 598 N SER B 206 -7.230 -11.669 -2.188 1.00 15.00 N ATOM 599 CA SER B 206 -8.519 -11.103 -2.525 1.00 15.00 C ATOM 600 C SER B 206 -8.336 -9.601 -2.716 1.00 15.00 C ATOM 601 O SER B 206 -7.469 -9.013 -2.074 1.00 15.00 O ATOM 602 CB SER B 206 -9.520 -11.398 -1.405 1.00 15.00 C ATOM 603 OG SER B 206 -9.588 -12.793 -1.144 1.00 15.00 O ATOM 0 H SER B 206 -7.036 -11.700 -1.187 1.00 15.00 H new ATOM 0 HA SER B 206 -8.909 -11.542 -3.443 1.00 15.00 H new ATOM 0 HB2 SER B 206 -9.226 -10.868 -0.499 1.00 15.00 H new ATOM 0 HB3 SER B 206 -10.506 -11.027 -1.685 1.00 15.00 H new ATOM 0 HG SER B 206 -10.232 -12.960 -0.424 1.00 15.00 H new ATOM 609 N PRO B 207 -9.149 -8.962 -3.580 1.00 15.00 N ATOM 610 CA PRO B 207 -8.935 -7.564 -3.997 1.00 15.00 C ATOM 611 C PRO B 207 -8.687 -6.621 -2.818 1.00 15.00 C ATOM 612 O PRO B 207 -9.377 -6.683 -1.793 1.00 15.00 O ATOM 613 CB PRO B 207 -10.249 -7.211 -4.698 1.00 15.00 C ATOM 614 CG PRO B 207 -10.758 -8.507 -5.219 1.00 15.00 C ATOM 615 CD PRO B 207 -10.337 -9.554 -4.225 1.00 15.00 C ATOM 0 HA PRO B 207 -8.049 -7.458 -4.624 1.00 15.00 H new ATOM 0 HB2 PRO B 207 -10.958 -6.757 -4.006 1.00 15.00 H new ATOM 0 HB3 PRO B 207 -10.088 -6.496 -5.504 1.00 15.00 H new ATOM 0 HG2 PRO B 207 -11.843 -8.485 -5.325 1.00 15.00 H new ATOM 0 HG3 PRO B 207 -10.346 -8.719 -6.206 1.00 15.00 H new ATOM 0 HD2 PRO B 207 -11.126 -9.760 -3.501 1.00 15.00 H new ATOM 0 HD3 PRO B 207 -10.099 -10.499 -4.714 1.00 15.00 H new ATOM 623 N PRO B 208 -7.713 -5.707 -2.976 1.00 15.00 N ATOM 624 CA PRO B 208 -7.189 -4.849 -1.932 1.00 15.00 C ATOM 625 C PRO B 208 -7.922 -3.499 -1.951 1.00 15.00 C ATOM 626 O PRO B 208 -8.815 -3.291 -2.782 1.00 15.00 O ATOM 627 CB PRO B 208 -5.693 -4.708 -2.368 1.00 15.00 C ATOM 628 CG PRO B 208 -5.637 -5.299 -3.754 1.00 15.00 C ATOM 629 CD PRO B 208 -7.055 -5.313 -4.201 1.00 15.00 C ATOM 0 HA PRO B 208 -7.307 -5.227 -0.917 1.00 15.00 H new ATOM 0 HB2 PRO B 208 -5.379 -3.664 -2.370 1.00 15.00 H new ATOM 0 HB3 PRO B 208 -5.030 -5.239 -1.685 1.00 15.00 H new ATOM 0 HG2 PRO B 208 -5.016 -4.698 -4.418 1.00 15.00 H new ATOM 0 HG3 PRO B 208 -5.213 -6.303 -3.742 1.00 15.00 H new ATOM 0 HD2 PRO B 208 -7.388 -4.337 -4.555 1.00 15.00 H new ATOM 0 HD3 PRO B 208 -7.227 -6.022 -5.011 1.00 15.00 H new ATOM 637 N PRO B 209 -7.563 -2.574 -1.052 1.00 15.00 N ATOM 638 CA PRO B 209 -8.184 -1.246 -0.980 1.00 15.00 C ATOM 639 C PRO B 209 -8.274 -0.535 -2.326 1.00 15.00 C ATOM 640 O PRO B 209 -7.357 -0.618 -3.147 1.00 15.00 O ATOM 641 CB PRO B 209 -7.214 -0.445 -0.125 1.00 15.00 C ATOM 642 CG PRO B 209 -6.375 -1.421 0.617 1.00 15.00 C ATOM 643 CD PRO B 209 -6.577 -2.781 0.016 1.00 15.00 C ATOM 0 HA PRO B 209 -9.203 -1.336 -0.604 1.00 15.00 H new ATOM 0 HB2 PRO B 209 -6.594 0.200 -0.748 1.00 15.00 H new ATOM 0 HB3 PRO B 209 -7.754 0.202 0.566 1.00 15.00 H new ATOM 0 HG2 PRO B 209 -5.325 -1.135 0.562 1.00 15.00 H new ATOM 0 HG3 PRO B 209 -6.648 -1.429 1.672 1.00 15.00 H new ATOM 0 HD2 PRO B 209 -5.644 -3.182 -0.379 1.00 15.00 H new ATOM 0 HD3 PRO B 209 -6.940 -3.492 0.758 1.00 15.00 H new ATOM 651 N PRO B 210 -9.383 0.185 -2.558 1.00 15.00 N ATOM 652 CA PRO B 210 -9.508 1.090 -3.699 1.00 15.00 C ATOM 653 C PRO B 210 -8.520 2.249 -3.576 1.00 15.00 C ATOM 654 O PRO B 210 -8.406 2.863 -2.514 1.00 15.00 O ATOM 655 CB PRO B 210 -10.950 1.603 -3.606 1.00 15.00 C ATOM 656 CG PRO B 210 -11.347 1.387 -2.186 1.00 15.00 C ATOM 657 CD PRO B 210 -10.600 0.167 -1.729 1.00 15.00 C ATOM 0 HA PRO B 210 -9.293 0.601 -4.649 1.00 15.00 H new ATOM 0 HB2 PRO B 210 -11.012 2.657 -3.877 1.00 15.00 H new ATOM 0 HB3 PRO B 210 -11.606 1.060 -4.286 1.00 15.00 H new ATOM 0 HG2 PRO B 210 -11.093 2.252 -1.574 1.00 15.00 H new ATOM 0 HG3 PRO B 210 -12.424 1.241 -2.100 1.00 15.00 H new ATOM 0 HD2 PRO B 210 -10.363 0.215 -0.666 1.00 15.00 H new ATOM 0 HD3 PRO B 210 -11.180 -0.742 -1.886 1.00 15.00 H new ATOM 665 N TYR B 211 -7.826 2.550 -4.663 1.00 15.00 N ATOM 666 CA TYR B 211 -6.758 3.550 -4.656 1.00 15.00 C ATOM 667 C TYR B 211 -7.244 4.975 -4.317 1.00 15.00 C ATOM 668 O TYR B 211 -6.424 5.843 -4.015 1.00 15.00 O ATOM 669 CB TYR B 211 -6.024 3.570 -6.022 1.00 15.00 C ATOM 670 CG TYR B 211 -5.184 4.812 -6.207 1.00 15.00 C ATOM 671 CD1 TYR B 211 -3.903 4.884 -5.684 1.00 15.00 C ATOM 672 CD2 TYR B 211 -5.700 5.938 -6.842 1.00 15.00 C ATOM 673 CE1 TYR B 211 -3.159 6.036 -5.784 1.00 15.00 C ATOM 674 CE2 TYR B 211 -4.956 7.093 -6.958 1.00 15.00 C ATOM 675 CZ TYR B 211 -3.687 7.139 -6.423 1.00 15.00 C ATOM 676 OH TYR B 211 -2.946 8.293 -6.525 1.00 15.00 O ATOM 0 H TYR B 211 -7.982 2.114 -5.572 1.00 15.00 H new ATOM 0 HA TYR B 211 -6.076 3.248 -3.861 1.00 15.00 H new ATOM 0 HB2 TYR B 211 -5.387 2.689 -6.102 1.00 15.00 H new ATOM 0 HB3 TYR B 211 -6.757 3.508 -6.826 1.00 15.00 H new ATOM 0 HD1 TYR B 211 -3.482 4.021 -5.190 1.00 15.00 H new ATOM 0 HD2 TYR B 211 -6.699 5.906 -7.250 1.00 15.00 H new ATOM 0 HE1 TYR B 211 -2.165 6.077 -5.364 1.00 15.00 H new ATOM 0 HE2 TYR B 211 -5.365 7.955 -7.464 1.00 15.00 H new ATOM 0 HH TYR B 211 -3.464 8.973 -7.004 1.00 15.00 H new ATOM 686 N SER B 212 -8.552 5.207 -4.264 1.00 15.00 N ATOM 687 CA SER B 212 -9.075 6.556 -4.485 1.00 15.00 C ATOM 688 C SER B 212 -8.519 7.569 -3.479 1.00 15.00 C ATOM 689 O SER B 212 -7.720 8.428 -3.865 1.00 15.00 O ATOM 690 CB SER B 212 -10.598 6.525 -4.403 1.00 15.00 C ATOM 691 OG SER B 212 -11.130 5.492 -5.215 1.00 15.00 O ATOM 0 H SER B 212 -9.259 4.496 -4.074 1.00 15.00 H new ATOM 0 HA SER B 212 -8.755 6.879 -5.476 1.00 15.00 H new ATOM 0 HB2 SER B 212 -10.907 6.375 -3.369 1.00 15.00 H new ATOM 0 HB3 SER B 212 -11.002 7.486 -4.720 1.00 15.00 H new ATOM 0 HG SER B 212 -12.107 5.491 -5.144 1.00 15.00 H new ATOM 697 N ARG B 213 -8.905 7.509 -2.214 1.00 15.00 N ATOM 698 CA ARG B 213 -8.222 8.337 -1.236 1.00 15.00 C ATOM 699 C ARG B 213 -7.587 7.494 -0.141 1.00 15.00 C ATOM 700 O ARG B 213 -6.367 7.348 -0.070 1.00 15.00 O ATOM 701 CB ARG B 213 -9.192 9.344 -0.615 1.00 15.00 C ATOM 702 CG ARG B 213 -8.585 10.712 -0.351 1.00 15.00 C ATOM 703 CD ARG B 213 -8.073 11.359 -1.630 1.00 15.00 C ATOM 704 NE ARG B 213 -9.111 11.458 -2.655 1.00 15.00 N ATOM 705 CZ ARG B 213 -8.929 12.018 -3.845 1.00 15.00 C ATOM 706 NH1 ARG B 213 -7.758 12.563 -4.160 1.00 15.00 N1+ ATOM 707 NH2 ARG B 213 -9.929 12.033 -4.716 1.00 15.00 N ATOM 0 H ARG B 213 -9.656 6.921 -1.852 1.00 15.00 H new ATOM 0 HA ARG B 213 -7.430 8.875 -1.758 1.00 15.00 H new ATOM 0 HB2 ARG B 213 -10.050 9.461 -1.277 1.00 15.00 H new ATOM 0 HB3 ARG B 213 -9.568 8.938 0.324 1.00 15.00 H new ATOM 0 HG2 ARG B 213 -9.332 11.358 0.110 1.00 15.00 H new ATOM 0 HG3 ARG B 213 -7.765 10.615 0.361 1.00 15.00 H new ATOM 0 HD2 ARG B 213 -7.693 12.355 -1.404 1.00 15.00 H new ATOM 0 HD3 ARG B 213 -7.236 10.779 -2.018 1.00 15.00 H new ATOM 0 HE ARG B 213 -10.031 11.073 -2.443 1.00 15.00 H new ATOM 0 HH11 ARG B 213 -6.993 12.553 -3.486 1.00 15.00 H new ATOM 0 HH12 ARG B 213 -7.625 12.992 -5.076 1.00 15.00 H new ATOM 0 HH21 ARG B 213 -10.827 11.617 -4.469 1.00 15.00 H new ATOM 0 HH22 ARG B 213 -9.800 12.461 -5.633 1.00 15.00 H new ATOM 721 N TYR B 214 -8.440 6.924 0.702 1.00 15.00 N ATOM 722 CA TYR B 214 -7.993 6.188 1.873 1.00 15.00 C ATOM 723 C TYR B 214 -8.471 4.740 1.838 1.00 15.00 C ATOM 724 O TYR B 214 -9.666 4.480 1.692 1.00 15.00 O ATOM 725 CB TYR B 214 -8.456 6.909 3.143 1.00 15.00 C ATOM 726 CG TYR B 214 -7.644 8.162 3.442 1.00 15.00 C ATOM 727 CD1 TYR B 214 -7.428 9.129 2.463 1.00 15.00 C ATOM 728 CD2 TYR B 214 -7.072 8.361 4.691 1.00 15.00 C ATOM 729 CE1 TYR B 214 -6.669 10.252 2.717 1.00 15.00 C ATOM 730 CE2 TYR B 214 -6.315 9.489 4.958 1.00 15.00 C ATOM 731 CZ TYR B 214 -6.116 10.430 3.968 1.00 15.00 C ATOM 732 OH TYR B 214 -5.359 11.549 4.234 1.00 15.00 O ATOM 0 H TYR B 214 -9.453 6.960 0.592 1.00 15.00 H new ATOM 0 HA TYR B 214 -6.903 6.155 1.873 1.00 15.00 H new ATOM 0 HB2 TYR B 214 -9.507 7.179 3.039 1.00 15.00 H new ATOM 0 HB3 TYR B 214 -8.385 6.226 3.989 1.00 15.00 H new ATOM 0 HD1 TYR B 214 -7.864 8.996 1.484 1.00 15.00 H new ATOM 0 HD2 TYR B 214 -7.220 7.624 5.467 1.00 15.00 H new ATOM 0 HE1 TYR B 214 -6.509 10.987 1.942 1.00 15.00 H new ATOM 0 HE2 TYR B 214 -5.882 9.632 5.937 1.00 15.00 H new ATOM 0 HH TYR B 214 -5.046 11.519 5.162 1.00 15.00 H new ATOM 742 N PRO B 215 -7.545 3.780 1.989 1.00 15.00 N ATOM 743 CA PRO B 215 -7.855 2.345 1.919 1.00 15.00 C ATOM 744 C PRO B 215 -8.782 1.850 3.022 1.00 15.00 C ATOM 745 O PRO B 215 -9.503 0.869 2.836 1.00 15.00 O ATOM 746 CB PRO B 215 -6.488 1.673 2.061 1.00 15.00 C ATOM 747 CG PRO B 215 -5.506 2.725 1.711 1.00 15.00 C ATOM 748 CD PRO B 215 -6.108 4.010 2.196 1.00 15.00 C ATOM 0 HA PRO B 215 -8.386 2.118 0.994 1.00 15.00 H new ATOM 0 HB2 PRO B 215 -6.331 1.308 3.076 1.00 15.00 H new ATOM 0 HB3 PRO B 215 -6.400 0.814 1.396 1.00 15.00 H new ATOM 0 HG2 PRO B 215 -4.544 2.538 2.187 1.00 15.00 H new ATOM 0 HG3 PRO B 215 -5.329 2.755 0.636 1.00 15.00 H new ATOM 0 HD2 PRO B 215 -5.873 4.199 3.243 1.00 15.00 H new ATOM 0 HD3 PRO B 215 -5.747 4.868 1.628 1.00 15.00 H new ATOM 756 N MET B 216 -8.733 2.490 4.175 1.00 15.00 N ATOM 757 CA MET B 216 -9.524 2.044 5.307 1.00 15.00 C ATOM 758 C MET B 216 -9.903 3.218 6.197 1.00 15.00 C ATOM 759 O MET B 216 -9.070 4.079 6.488 1.00 15.00 O ATOM 760 CB MET B 216 -8.751 1.000 6.114 1.00 15.00 C ATOM 761 CG MET B 216 -9.572 0.354 7.218 1.00 15.00 C ATOM 762 SD MET B 216 -10.971 -0.589 6.577 1.00 15.00 S ATOM 763 CE MET B 216 -11.667 -1.237 8.095 1.00 15.00 C ATOM 0 H MET B 216 -8.159 3.314 4.352 1.00 15.00 H new ATOM 0 HA MET B 216 -10.440 1.591 4.927 1.00 15.00 H new ATOM 0 HB2 MET B 216 -8.392 0.224 5.438 1.00 15.00 H new ATOM 0 HB3 MET B 216 -7.872 1.471 6.554 1.00 15.00 H new ATOM 0 HG2 MET B 216 -8.932 -0.305 7.804 1.00 15.00 H new ATOM 0 HG3 MET B 216 -9.938 1.127 7.894 1.00 15.00 H new ATOM 0 HE1 MET B 216 -12.543 -1.844 7.864 1.00 15.00 H new ATOM 0 HE2 MET B 216 -10.924 -1.851 8.603 1.00 15.00 H new ATOM 0 HE3 MET B 216 -11.959 -0.411 8.743 1.00 15.00 H new ATOM 773 N ASP B 217 -11.153 3.232 6.628 1.00 15.00 N ATOM 774 CA ASP B 217 -11.656 4.261 7.527 1.00 15.00 C ATOM 775 C ASP B 217 -12.143 3.619 8.823 1.00 15.00 C ATOM 776 O ASP B 217 -11.440 3.733 9.848 1.00 15.00 O ATOM 777 CB ASP B 217 -12.790 5.042 6.858 1.00 15.00 C ATOM 778 CG ASP B 217 -13.463 6.026 7.795 1.00 15.00 C ATOM 779 OD1 ASP B 217 -12.883 7.101 8.054 1.00 15.00 O1- ATOM 780 OD2 ASP B 217 -14.590 5.739 8.258 1.00 15.00 O ATOM 781 OXT ASP B 217 -13.199 2.955 8.794 1.00 15.00 O ATOM 0 H ASP B 217 -11.848 2.533 6.366 1.00 15.00 H new ATOM 0 HA ASP B 217 -10.850 4.957 7.759 1.00 15.00 H new ATOM 0 HB2 ASP B 217 -12.394 5.581 5.997 1.00 15.00 H new ATOM 0 HB3 ASP B 217 -13.534 4.340 6.481 1.00 15.00 H new TER 786 ASP B 217