USER MOD reduce.3.24.130724 H: found=0, std=0, add=373, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 379 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 191 ASN : amide:sc= 0.373 K(o=0.45,f=-5.4!) USER MOD Set 1.2: A 196 THR OG1 : rot 180:sc= -0.156 USER MOD Set 1.3: A 198 THR OG1 : rot 118:sc= 0.237 USER MOD Set 2.1: A 182 THR OG1 : rot -170:sc= -1.04! USER MOD Set 2.2: A 186 GLN : amide:sc= 0.819 K(o=-0.22,f=-2.7!) USER MOD Single : A 179 MET CE :methyl 176:sc= -7.53! (180deg=-7.94!) USER MOD Single : A 181 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 183 SER OG : rot 180:sc= 0 USER MOD Single : A 184 SER OG : rot 180:sc= 0 USER MOD Single : A 188 TYR OH : rot 116:sc= -1.77! USER MOD Single : A 192 HIS : no HD1:sc= -1.16! C(o=-1.2!,f=-5.9!) USER MOD Single : A 195 GLN : amide:sc= 0 K(o=0,f=-0.61) USER MOD Single : A 197 THR OG1 : rot 180:sc= 0 USER MOD Single : A 200 GLN : amide:sc= -0.858 K(o=-0.86,f=-0.22) USER MOD Single : A 204 LYS NZ :NH3+ 174:sc= -0.152 (180deg=-0.24) 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 -153:sc= -3.24! (180deg=-5.01!) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 170 10.993 6.831 6.290 1.00 15.00 N ATOM 2 CA ASP A 170 11.382 6.783 4.860 1.00 15.00 C ATOM 3 C ASP A 170 12.005 5.434 4.485 1.00 15.00 C ATOM 4 O ASP A 170 11.882 4.993 3.345 1.00 15.00 O ATOM 5 CB ASP A 170 12.354 7.917 4.526 1.00 15.00 C ATOM 6 CG ASP A 170 13.653 7.808 5.294 1.00 15.00 C ATOM 7 OD1 ASP A 170 13.599 7.555 6.514 1.00 15.00 O1- ATOM 8 OD2 ASP A 170 14.728 7.958 4.685 1.00 15.00 O ATOM 0 HA ASP A 170 10.471 6.908 4.274 1.00 15.00 H new ATOM 0 HB2 ASP A 170 12.565 7.908 3.457 1.00 15.00 H new ATOM 0 HB3 ASP A 170 11.882 8.874 4.749 1.00 15.00 H new ATOM 15 N VAL A 171 12.698 4.786 5.422 1.00 15.00 N ATOM 16 CA VAL A 171 13.330 3.499 5.121 1.00 15.00 C ATOM 17 C VAL A 171 12.328 2.337 5.172 1.00 15.00 C ATOM 18 O VAL A 171 12.238 1.563 4.217 1.00 15.00 O ATOM 19 CB VAL A 171 14.514 3.206 6.070 1.00 15.00 C ATOM 20 CG1 VAL A 171 15.131 1.847 5.767 1.00 15.00 C ATOM 21 CG2 VAL A 171 15.562 4.299 5.964 1.00 15.00 C ATOM 0 H VAL A 171 12.835 5.121 6.376 1.00 15.00 H new ATOM 0 HA VAL A 171 13.710 3.580 4.103 1.00 15.00 H new ATOM 0 HB VAL A 171 14.133 3.186 7.091 1.00 15.00 H new ATOM 0 HG11 VAL A 171 15.962 1.665 6.448 1.00 15.00 H new ATOM 0 HG12 VAL A 171 14.379 1.069 5.896 1.00 15.00 H new ATOM 0 HG13 VAL A 171 15.495 1.833 4.740 1.00 15.00 H new ATOM 0 HG21 VAL A 171 16.389 4.077 6.639 1.00 15.00 H new ATOM 0 HG22 VAL A 171 15.933 4.350 4.940 1.00 15.00 H new ATOM 0 HG23 VAL A 171 15.118 5.256 6.237 1.00 15.00 H new ATOM 31 N PRO A 172 11.535 2.200 6.260 1.00 15.00 N ATOM 32 CA PRO A 172 10.510 1.160 6.352 1.00 15.00 C ATOM 33 C PRO A 172 9.247 1.541 5.595 1.00 15.00 C ATOM 34 O PRO A 172 8.403 0.696 5.298 1.00 15.00 O ATOM 35 CB PRO A 172 10.216 1.048 7.856 1.00 15.00 C ATOM 36 CG PRO A 172 11.166 1.985 8.534 1.00 15.00 C ATOM 37 CD PRO A 172 11.597 2.981 7.500 1.00 15.00 C ATOM 0 HA PRO A 172 10.849 0.223 5.911 1.00 15.00 H new ATOM 0 HB2 PRO A 172 9.182 1.317 8.072 1.00 15.00 H new ATOM 0 HB3 PRO A 172 10.360 0.026 8.206 1.00 15.00 H new ATOM 0 HG2 PRO A 172 10.684 2.484 9.375 1.00 15.00 H new ATOM 0 HG3 PRO A 172 12.024 1.445 8.933 1.00 15.00 H new ATOM 0 HD2 PRO A 172 10.934 3.846 7.468 1.00 15.00 H new ATOM 0 HD3 PRO A 172 12.602 3.357 7.693 1.00 15.00 H new ATOM 45 N LEU A 173 9.117 2.834 5.323 1.00 15.00 N ATOM 46 CA LEU A 173 7.970 3.371 4.606 1.00 15.00 C ATOM 47 C LEU A 173 8.438 4.408 3.589 1.00 15.00 C ATOM 48 O LEU A 173 8.839 5.510 3.970 1.00 15.00 O ATOM 49 CB LEU A 173 6.979 4.033 5.577 1.00 15.00 C ATOM 50 CG LEU A 173 6.500 3.176 6.761 1.00 15.00 C ATOM 51 CD1 LEU A 173 5.583 3.989 7.654 1.00 15.00 C ATOM 52 CD2 LEU A 173 5.778 1.924 6.282 1.00 15.00 C ATOM 0 H LEU A 173 9.804 3.538 5.594 1.00 15.00 H new ATOM 0 HA LEU A 173 7.470 2.547 4.097 1.00 15.00 H new ATOM 0 HB2 LEU A 173 7.443 4.935 5.975 1.00 15.00 H new ATOM 0 HB3 LEU A 173 6.104 4.349 5.009 1.00 15.00 H new ATOM 0 HG LEU A 173 7.378 2.866 7.328 1.00 15.00 H new ATOM 0 HD11 LEU A 173 5.249 3.374 8.489 1.00 15.00 H new ATOM 0 HD12 LEU A 173 6.122 4.857 8.035 1.00 15.00 H new ATOM 0 HD13 LEU A 173 4.718 4.322 7.080 1.00 15.00 H new ATOM 0 HD21 LEU A 173 5.452 1.340 7.143 1.00 15.00 H new ATOM 0 HD22 LEU A 173 4.910 2.209 5.688 1.00 15.00 H new ATOM 0 HD23 LEU A 173 6.454 1.325 5.672 1.00 15.00 H new ATOM 64 N PRO A 174 8.445 4.056 2.294 1.00 15.00 N ATOM 65 CA PRO A 174 8.826 4.985 1.221 1.00 15.00 C ATOM 66 C PRO A 174 7.881 6.187 1.135 1.00 15.00 C ATOM 67 O PRO A 174 6.715 6.103 1.522 1.00 15.00 O ATOM 68 CB PRO A 174 8.727 4.128 -0.049 1.00 15.00 C ATOM 69 CG PRO A 174 8.745 2.715 0.424 1.00 15.00 C ATOM 70 CD PRO A 174 8.097 2.726 1.773 1.00 15.00 C ATOM 0 HA PRO A 174 9.816 5.412 1.382 1.00 15.00 H new ATOM 0 HB2 PRO A 174 7.812 4.346 -0.600 1.00 15.00 H new ATOM 0 HB3 PRO A 174 9.560 4.327 -0.723 1.00 15.00 H new ATOM 0 HG2 PRO A 174 8.204 2.066 -0.264 1.00 15.00 H new ATOM 0 HG3 PRO A 174 9.765 2.336 0.484 1.00 15.00 H new ATOM 0 HD2 PRO A 174 7.018 2.589 1.704 1.00 15.00 H new ATOM 0 HD3 PRO A 174 8.479 1.929 2.411 1.00 15.00 H new ATOM 78 N ALA A 175 8.377 7.297 0.599 1.00 15.00 N ATOM 79 CA ALA A 175 7.597 8.526 0.526 1.00 15.00 C ATOM 80 C ALA A 175 6.799 8.598 -0.772 1.00 15.00 C ATOM 81 O ALA A 175 7.303 8.269 -1.848 1.00 15.00 O ATOM 82 CB ALA A 175 8.509 9.739 0.652 1.00 15.00 C ATOM 0 H ALA A 175 9.316 7.370 0.209 1.00 15.00 H new ATOM 0 HA ALA A 175 6.891 8.525 1.356 1.00 15.00 H new ATOM 0 HB1 ALA A 175 7.913 10.650 0.596 1.00 15.00 H new ATOM 0 HB2 ALA A 175 9.030 9.705 1.609 1.00 15.00 H new ATOM 0 HB3 ALA A 175 9.238 9.732 -0.158 1.00 15.00 H new ATOM 88 N GLY A 176 5.556 9.047 -0.660 1.00 15.00 N ATOM 89 CA GLY A 176 4.651 9.054 -1.795 1.00 15.00 C ATOM 90 C GLY A 176 3.876 7.760 -1.872 1.00 15.00 C ATOM 91 O GLY A 176 3.234 7.453 -2.881 1.00 15.00 O ATOM 0 H GLY A 176 5.155 9.410 0.205 1.00 15.00 H new ATOM 0 HA2 GLY A 176 3.960 9.892 -1.709 1.00 15.00 H new ATOM 0 HA3 GLY A 176 5.216 9.200 -2.716 1.00 15.00 H new ATOM 95 N TRP A 177 3.919 7.017 -0.778 1.00 15.00 N ATOM 96 CA TRP A 177 3.257 5.729 -0.679 1.00 15.00 C ATOM 97 C TRP A 177 2.285 5.731 0.495 1.00 15.00 C ATOM 98 O TRP A 177 2.518 6.392 1.509 1.00 15.00 O ATOM 99 CB TRP A 177 4.293 4.613 -0.493 1.00 15.00 C ATOM 100 CG TRP A 177 5.184 4.397 -1.683 1.00 15.00 C ATOM 101 CD1 TRP A 177 6.207 5.197 -2.099 1.00 15.00 C ATOM 102 CD2 TRP A 177 5.141 3.295 -2.596 1.00 15.00 C ATOM 103 NE1 TRP A 177 6.793 4.669 -3.223 1.00 15.00 N ATOM 104 CE2 TRP A 177 6.158 3.501 -3.547 1.00 15.00 C ATOM 105 CE3 TRP A 177 4.339 2.159 -2.703 1.00 15.00 C ATOM 106 CZ2 TRP A 177 6.394 2.609 -4.590 1.00 15.00 C ATOM 107 CZ3 TRP A 177 4.576 1.275 -3.738 1.00 15.00 C ATOM 108 CH2 TRP A 177 5.594 1.505 -4.670 1.00 15.00 C ATOM 0 H TRP A 177 4.416 7.292 0.069 1.00 15.00 H new ATOM 0 HA TRP A 177 2.704 5.549 -1.601 1.00 15.00 H new ATOM 0 HB2 TRP A 177 4.912 4.848 0.373 1.00 15.00 H new ATOM 0 HB3 TRP A 177 3.772 3.682 -0.269 1.00 15.00 H new ATOM 0 HD1 TRP A 177 6.512 6.113 -1.615 1.00 15.00 H new ATOM 0 HE1 TRP A 177 7.574 5.080 -3.733 1.00 15.00 H new ATOM 0 HE3 TRP A 177 3.548 1.974 -1.991 1.00 15.00 H new ATOM 0 HZ2 TRP A 177 7.181 2.784 -5.309 1.00 15.00 H new ATOM 0 HZ3 TRP A 177 3.964 0.390 -3.829 1.00 15.00 H new ATOM 0 HH2 TRP A 177 5.750 0.795 -5.469 1.00 15.00 H new ATOM 119 N GLU A 178 1.200 4.993 0.351 1.00 15.00 N ATOM 120 CA GLU A 178 0.235 4.839 1.420 1.00 15.00 C ATOM 121 C GLU A 178 0.514 3.534 2.151 1.00 15.00 C ATOM 122 O GLU A 178 0.419 2.456 1.562 1.00 15.00 O ATOM 123 CB GLU A 178 -1.188 4.850 0.862 1.00 15.00 C ATOM 124 CG GLU A 178 -2.250 4.979 1.934 1.00 15.00 C ATOM 125 CD GLU A 178 -2.145 6.295 2.676 1.00 15.00 C ATOM 126 OE1 GLU A 178 -1.385 6.368 3.665 1.00 15.00 O1- ATOM 127 OE2 GLU A 178 -2.801 7.266 2.249 1.00 15.00 O ATOM 0 H GLU A 178 0.965 4.488 -0.503 1.00 15.00 H new ATOM 0 HA GLU A 178 0.326 5.672 2.117 1.00 15.00 H new ATOM 0 HB2 GLU A 178 -1.289 5.677 0.159 1.00 15.00 H new ATOM 0 HB3 GLU A 178 -1.358 3.931 0.300 1.00 15.00 H new ATOM 0 HG2 GLU A 178 -3.237 4.896 1.479 1.00 15.00 H new ATOM 0 HG3 GLU A 178 -2.155 4.155 2.641 1.00 15.00 H new ATOM 134 N MET A 179 0.864 3.637 3.423 1.00 15.00 N ATOM 135 CA MET A 179 1.353 2.487 4.172 1.00 15.00 C ATOM 136 C MET A 179 0.314 2.011 5.173 1.00 15.00 C ATOM 137 O MET A 179 0.064 2.686 6.175 1.00 15.00 O ATOM 138 CB MET A 179 2.644 2.847 4.917 1.00 15.00 C ATOM 139 CG MET A 179 3.534 3.840 4.180 1.00 15.00 C ATOM 140 SD MET A 179 4.031 3.277 2.541 1.00 15.00 S ATOM 141 CE MET A 179 5.085 1.894 2.954 1.00 15.00 C ATOM 0 H MET A 179 0.819 4.503 3.959 1.00 15.00 H new ATOM 0 HA MET A 179 1.553 1.686 3.461 1.00 15.00 H new ATOM 0 HB2 MET A 179 2.385 3.262 5.891 1.00 15.00 H new ATOM 0 HB3 MET A 179 3.211 1.934 5.100 1.00 15.00 H new ATOM 0 HG2 MET A 179 3.006 4.789 4.085 1.00 15.00 H new ATOM 0 HG3 MET A 179 4.426 4.030 4.777 1.00 15.00 H new ATOM 0 HE1 MET A 179 5.411 1.399 2.039 1.00 15.00 H new ATOM 0 HE2 MET A 179 5.956 2.252 3.504 1.00 15.00 H new ATOM 0 HE3 MET A 179 4.532 1.186 3.571 1.00 15.00 H new ATOM 151 N ALA A 180 -0.297 0.862 4.911 1.00 15.00 N ATOM 152 CA ALA A 180 -1.271 0.316 5.845 1.00 15.00 C ATOM 153 C ALA A 180 -1.237 -1.205 5.855 1.00 15.00 C ATOM 154 O ALA A 180 -1.175 -1.848 4.806 1.00 15.00 O ATOM 155 CB ALA A 180 -2.669 0.821 5.523 1.00 15.00 C ATOM 0 H ALA A 180 -0.139 0.300 4.075 1.00 15.00 H new ATOM 0 HA ALA A 180 -1.002 0.661 6.843 1.00 15.00 H new ATOM 0 HB1 ALA A 180 -3.380 0.400 6.234 1.00 15.00 H new ATOM 0 HB2 ALA A 180 -2.688 1.909 5.592 1.00 15.00 H new ATOM 0 HB3 ALA A 180 -2.942 0.517 4.513 1.00 15.00 H new ATOM 161 N LYS A 181 -1.267 -1.772 7.049 1.00 15.00 N ATOM 162 CA LYS A 181 -1.240 -3.214 7.215 1.00 15.00 C ATOM 163 C LYS A 181 -2.481 -3.666 7.967 1.00 15.00 C ATOM 164 O LYS A 181 -2.842 -3.081 8.991 1.00 15.00 O ATOM 165 CB LYS A 181 0.022 -3.634 7.979 1.00 15.00 C ATOM 166 CG LYS A 181 1.318 -3.249 7.285 1.00 15.00 C ATOM 167 CD LYS A 181 2.527 -3.560 8.151 1.00 15.00 C ATOM 168 CE LYS A 181 3.819 -3.115 7.487 1.00 15.00 C ATOM 169 NZ LYS A 181 4.988 -3.269 8.394 1.00 15.00 N1+ ATOM 0 H LYS A 181 -1.310 -1.250 7.924 1.00 15.00 H new ATOM 0 HA LYS A 181 -1.226 -3.686 6.233 1.00 15.00 H new ATOM 0 HB2 LYS A 181 0.003 -3.180 8.970 1.00 15.00 H new ATOM 0 HB3 LYS A 181 0.005 -4.714 8.123 1.00 15.00 H new ATOM 0 HG2 LYS A 181 1.399 -3.785 6.339 1.00 15.00 H new ATOM 0 HG3 LYS A 181 1.303 -2.185 7.048 1.00 15.00 H new ATOM 0 HD2 LYS A 181 2.422 -3.062 9.115 1.00 15.00 H new ATOM 0 HD3 LYS A 181 2.568 -4.631 8.348 1.00 15.00 H new ATOM 0 HE2 LYS A 181 3.982 -3.699 6.581 1.00 15.00 H new ATOM 0 HE3 LYS A 181 3.731 -2.072 7.182 1.00 15.00 H new ATOM 0 HZ1 LYS A 181 5.851 -2.955 7.905 1.00 15.00 H new ATOM 0 HZ2 LYS A 181 4.844 -2.692 9.247 1.00 15.00 H new ATOM 0 HZ3 LYS A 181 5.088 -4.268 8.665 1.00 15.00 H new ATOM 183 N THR A 182 -3.137 -4.693 7.459 1.00 15.00 N ATOM 184 CA THR A 182 -4.314 -5.230 8.110 1.00 15.00 C ATOM 185 C THR A 182 -3.902 -6.317 9.096 1.00 15.00 C ATOM 186 O THR A 182 -2.936 -7.044 8.851 1.00 15.00 O ATOM 187 CB THR A 182 -5.311 -5.823 7.088 1.00 15.00 C ATOM 188 OG1 THR A 182 -4.764 -7.006 6.500 1.00 15.00 O ATOM 189 CG2 THR A 182 -5.633 -4.823 5.983 1.00 15.00 C ATOM 0 H THR A 182 -2.873 -5.171 6.597 1.00 15.00 H new ATOM 0 HA THR A 182 -4.808 -4.411 8.633 1.00 15.00 H new ATOM 0 HB THR A 182 -6.230 -6.062 7.623 1.00 15.00 H new ATOM 0 HG1 THR A 182 -5.323 -7.284 5.745 1.00 15.00 H new ATOM 0 HG21 THR A 182 -6.336 -5.271 5.281 1.00 15.00 H new ATOM 0 HG22 THR A 182 -6.076 -3.928 6.420 1.00 15.00 H new ATOM 0 HG23 THR A 182 -4.717 -4.554 5.457 1.00 15.00 H new ATOM 197 N SER A 183 -4.628 -6.428 10.205 1.00 15.00 N ATOM 198 CA SER A 183 -4.354 -7.461 11.205 1.00 15.00 C ATOM 199 C SER A 183 -4.548 -8.860 10.617 1.00 15.00 C ATOM 200 O SER A 183 -4.133 -9.860 11.200 1.00 15.00 O ATOM 201 CB SER A 183 -5.244 -7.260 12.431 1.00 15.00 C ATOM 202 OG SER A 183 -5.083 -5.952 12.957 1.00 15.00 O ATOM 0 H SER A 183 -5.411 -5.816 10.436 1.00 15.00 H new ATOM 0 HA SER A 183 -3.312 -7.371 11.513 1.00 15.00 H new ATOM 0 HB2 SER A 183 -6.287 -7.423 12.160 1.00 15.00 H new ATOM 0 HB3 SER A 183 -4.994 -7.998 13.193 1.00 15.00 H new ATOM 0 HG SER A 183 -5.662 -5.841 13.740 1.00 15.00 H new ATOM 208 N SER A 184 -5.202 -8.910 9.463 1.00 15.00 N ATOM 209 CA SER A 184 -5.364 -10.136 8.694 1.00 15.00 C ATOM 210 C SER A 184 -4.017 -10.625 8.152 1.00 15.00 C ATOM 211 O SER A 184 -3.890 -11.759 7.687 1.00 15.00 O ATOM 212 CB SER A 184 -6.356 -9.902 7.556 1.00 15.00 C ATOM 213 OG SER A 184 -7.586 -9.411 8.067 1.00 15.00 O ATOM 0 H SER A 184 -5.638 -8.095 9.032 1.00 15.00 H new ATOM 0 HA SER A 184 -5.756 -10.913 9.350 1.00 15.00 H new ATOM 0 HB2 SER A 184 -5.940 -9.190 6.843 1.00 15.00 H new ATOM 0 HB3 SER A 184 -6.525 -10.833 7.015 1.00 15.00 H new ATOM 0 HG SER A 184 -8.212 -9.264 7.327 1.00 15.00 H new ATOM 219 N GLY A 185 -3.022 -9.748 8.195 1.00 15.00 N ATOM 220 CA GLY A 185 -1.712 -10.068 7.670 1.00 15.00 C ATOM 221 C GLY A 185 -1.576 -9.692 6.213 1.00 15.00 C ATOM 222 O GLY A 185 -1.019 -10.440 5.410 1.00 15.00 O ATOM 0 H GLY A 185 -3.103 -8.811 8.589 1.00 15.00 H new ATOM 0 HA2 GLY A 185 -0.952 -9.546 8.251 1.00 15.00 H new ATOM 0 HA3 GLY A 185 -1.526 -11.136 7.787 1.00 15.00 H new ATOM 226 N GLN A 186 -2.086 -8.518 5.879 1.00 15.00 N ATOM 227 CA GLN A 186 -1.978 -7.987 4.529 1.00 15.00 C ATOM 228 C GLN A 186 -1.218 -6.671 4.542 1.00 15.00 C ATOM 229 O GLN A 186 -1.666 -5.689 5.139 1.00 15.00 O ATOM 230 CB GLN A 186 -3.363 -7.773 3.919 1.00 15.00 C ATOM 231 CG GLN A 186 -4.127 -9.061 3.670 1.00 15.00 C ATOM 232 CD GLN A 186 -5.625 -8.841 3.632 1.00 15.00 C ATOM 233 OE1 GLN A 186 -6.143 -7.926 4.273 1.00 15.00 O ATOM 234 NE2 GLN A 186 -6.331 -9.690 2.907 1.00 15.00 N ATOM 0 H GLN A 186 -2.583 -7.910 6.530 1.00 15.00 H new ATOM 0 HA GLN A 186 -1.435 -8.711 3.922 1.00 15.00 H new ATOM 0 HB2 GLN A 186 -3.948 -7.137 4.583 1.00 15.00 H new ATOM 0 HB3 GLN A 186 -3.256 -7.237 2.976 1.00 15.00 H new ATOM 0 HG2 GLN A 186 -3.802 -9.497 2.726 1.00 15.00 H new ATOM 0 HG3 GLN A 186 -3.887 -9.781 4.453 1.00 15.00 H new ATOM 0 HE21 GLN A 186 -5.861 -10.434 2.391 1.00 15.00 H new ATOM 0 HE22 GLN A 186 -7.346 -9.602 2.863 1.00 15.00 H new ATOM 243 N ARG A 187 -0.064 -6.661 3.901 1.00 15.00 N ATOM 244 CA ARG A 187 0.741 -5.456 3.801 1.00 15.00 C ATOM 245 C ARG A 187 0.610 -4.856 2.402 1.00 15.00 C ATOM 246 O ARG A 187 1.209 -5.348 1.449 1.00 15.00 O ATOM 247 CB ARG A 187 2.209 -5.763 4.140 1.00 15.00 C ATOM 248 CG ARG A 187 2.801 -6.920 3.344 1.00 15.00 C ATOM 249 CD ARG A 187 4.095 -7.434 3.959 1.00 15.00 C ATOM 250 NE ARG A 187 5.170 -6.435 3.966 1.00 15.00 N ATOM 251 CZ ARG A 187 6.179 -6.442 4.845 1.00 15.00 C ATOM 252 NH1 ARG A 187 6.199 -7.327 5.832 1.00 15.00 N1+ ATOM 253 NH2 ARG A 187 7.165 -5.561 4.743 1.00 15.00 N ATOM 0 H ARG A 187 0.339 -7.477 3.440 1.00 15.00 H new ATOM 0 HA ARG A 187 0.379 -4.723 4.522 1.00 15.00 H new ATOM 0 HB2 ARG A 187 2.807 -4.869 3.961 1.00 15.00 H new ATOM 0 HB3 ARG A 187 2.286 -5.990 5.203 1.00 15.00 H new ATOM 0 HG2 ARG A 187 2.076 -7.733 3.293 1.00 15.00 H new ATOM 0 HG3 ARG A 187 2.990 -6.596 2.320 1.00 15.00 H new ATOM 0 HD2 ARG A 187 3.900 -7.756 4.982 1.00 15.00 H new ATOM 0 HD3 ARG A 187 4.428 -8.313 3.406 1.00 15.00 H new ATOM 0 HE ARG A 187 5.147 -5.696 3.263 1.00 15.00 H new ATOM 0 HH11 ARG A 187 5.443 -8.006 5.924 1.00 15.00 H new ATOM 0 HH12 ARG A 187 6.970 -7.329 6.500 1.00 15.00 H new ATOM 0 HH21 ARG A 187 7.158 -4.872 3.991 1.00 15.00 H new ATOM 0 HH22 ARG A 187 7.931 -5.572 5.417 1.00 15.00 H new ATOM 267 N TYR A 188 -0.216 -3.828 2.267 1.00 15.00 N ATOM 268 CA TYR A 188 -0.415 -3.200 0.974 1.00 15.00 C ATOM 269 C TYR A 188 0.115 -1.776 0.995 1.00 15.00 C ATOM 270 O TYR A 188 0.112 -1.099 2.039 1.00 15.00 O ATOM 271 CB TYR A 188 -1.895 -3.227 0.555 1.00 15.00 C ATOM 272 CG TYR A 188 -2.830 -2.491 1.490 1.00 15.00 C ATOM 273 CD1 TYR A 188 -2.773 -1.110 1.613 1.00 15.00 C ATOM 274 CD2 TYR A 188 -3.773 -3.176 2.240 1.00 15.00 C ATOM 275 CE1 TYR A 188 -3.614 -0.435 2.464 1.00 15.00 C ATOM 276 CE2 TYR A 188 -4.629 -2.499 3.095 1.00 15.00 C ATOM 277 CZ TYR A 188 -4.540 -1.137 3.207 1.00 15.00 C ATOM 278 OH TYR A 188 -5.381 -0.474 4.071 1.00 15.00 O ATOM 0 H TYR A 188 -0.753 -3.416 3.030 1.00 15.00 H new ATOM 0 HA TYR A 188 0.143 -3.771 0.232 1.00 15.00 H new ATOM 0 HB2 TYR A 188 -1.984 -2.794 -0.441 1.00 15.00 H new ATOM 0 HB3 TYR A 188 -2.219 -4.265 0.482 1.00 15.00 H new ATOM 0 HD1 TYR A 188 -2.054 -0.555 1.029 1.00 15.00 H new ATOM 0 HD2 TYR A 188 -3.842 -4.251 2.157 1.00 15.00 H new ATOM 0 HE1 TYR A 188 -3.550 0.640 2.551 1.00 15.00 H new ATOM 0 HE2 TYR A 188 -5.363 -3.044 3.670 1.00 15.00 H new ATOM 0 HH TYR A 188 -6.308 -0.579 3.770 1.00 15.00 H new ATOM 288 N PHE A 189 0.561 -1.327 -0.162 1.00 15.00 N ATOM 289 CA PHE A 189 1.119 -0.001 -0.296 1.00 15.00 C ATOM 290 C PHE A 189 0.554 0.676 -1.538 1.00 15.00 C ATOM 291 O PHE A 189 0.609 0.127 -2.637 1.00 15.00 O ATOM 292 CB PHE A 189 2.647 -0.091 -0.380 1.00 15.00 C ATOM 293 CG PHE A 189 3.247 -0.985 0.673 1.00 15.00 C ATOM 294 CD1 PHE A 189 3.310 -0.582 1.994 1.00 15.00 C ATOM 295 CD2 PHE A 189 3.725 -2.241 0.342 1.00 15.00 C ATOM 296 CE1 PHE A 189 3.840 -1.408 2.965 1.00 15.00 C ATOM 297 CE2 PHE A 189 4.253 -3.072 1.309 1.00 15.00 C ATOM 298 CZ PHE A 189 4.310 -2.656 2.622 1.00 15.00 C ATOM 0 H PHE A 189 0.546 -1.868 -1.027 1.00 15.00 H new ATOM 0 HA PHE A 189 0.850 0.596 0.576 1.00 15.00 H new ATOM 0 HB2 PHE A 189 2.929 -0.461 -1.366 1.00 15.00 H new ATOM 0 HB3 PHE A 189 3.069 0.909 -0.282 1.00 15.00 H new ATOM 0 HD1 PHE A 189 2.939 0.394 2.271 1.00 15.00 H new ATOM 0 HD2 PHE A 189 3.684 -2.574 -0.684 1.00 15.00 H new ATOM 0 HE1 PHE A 189 3.886 -1.076 3.992 1.00 15.00 H new ATOM 0 HE2 PHE A 189 4.622 -4.050 1.037 1.00 15.00 H new ATOM 0 HZ PHE A 189 4.722 -3.307 3.379 1.00 15.00 H new ATOM 308 N LEU A 190 0.005 1.864 -1.359 1.00 15.00 N ATOM 309 CA LEU A 190 -0.504 2.642 -2.479 1.00 15.00 C ATOM 310 C LEU A 190 0.580 3.535 -3.049 1.00 15.00 C ATOM 311 O LEU A 190 1.325 4.150 -2.301 1.00 15.00 O ATOM 312 CB LEU A 190 -1.640 3.573 -2.052 1.00 15.00 C ATOM 313 CG LEU A 190 -3.068 3.049 -2.124 1.00 15.00 C ATOM 314 CD1 LEU A 190 -4.001 4.238 -2.297 1.00 15.00 C ATOM 315 CD2 LEU A 190 -3.249 2.072 -3.277 1.00 15.00 C ATOM 0 H LEU A 190 -0.101 2.313 -0.449 1.00 15.00 H new ATOM 0 HA LEU A 190 -0.856 1.918 -3.214 1.00 15.00 H new ATOM 0 HB2 LEU A 190 -1.450 3.880 -1.023 1.00 15.00 H new ATOM 0 HB3 LEU A 190 -1.584 4.471 -2.668 1.00 15.00 H new ATOM 0 HG LEU A 190 -3.297 2.509 -1.205 1.00 15.00 H new ATOM 0 HD11 LEU A 190 -5.032 3.887 -2.351 1.00 15.00 H new ATOM 0 HD12 LEU A 190 -3.892 4.913 -1.448 1.00 15.00 H new ATOM 0 HD13 LEU A 190 -3.749 4.767 -3.216 1.00 15.00 H new ATOM 0 HD21 LEU A 190 -4.280 1.719 -3.297 1.00 15.00 H new ATOM 0 HD22 LEU A 190 -3.019 2.572 -4.218 1.00 15.00 H new ATOM 0 HD23 LEU A 190 -2.578 1.224 -3.144 1.00 15.00 H new ATOM 327 N ASN A 191 0.648 3.653 -4.359 1.00 15.00 N ATOM 328 CA ASN A 191 1.406 4.733 -4.940 1.00 15.00 C ATOM 329 C ASN A 191 0.462 5.904 -5.103 1.00 15.00 C ATOM 330 O ASN A 191 -0.361 5.905 -6.023 1.00 15.00 O ATOM 331 CB ASN A 191 2.008 4.380 -6.307 1.00 15.00 C ATOM 332 CG ASN A 191 2.839 3.112 -6.315 1.00 15.00 C ATOM 333 OD1 ASN A 191 2.502 2.124 -5.667 1.00 15.00 O ATOM 334 ND2 ASN A 191 3.933 3.131 -7.061 1.00 15.00 N ATOM 0 H ASN A 191 0.197 3.027 -5.027 1.00 15.00 H new ATOM 0 HA ASN A 191 2.244 4.960 -4.281 1.00 15.00 H new ATOM 0 HB2 ASN A 191 1.200 4.275 -7.031 1.00 15.00 H new ATOM 0 HB3 ASN A 191 2.630 5.210 -6.642 1.00 15.00 H new ATOM 0 HD21 ASN A 191 4.530 2.305 -7.112 1.00 15.00 H new ATOM 0 HD22 ASN A 191 4.179 3.971 -7.585 1.00 15.00 H new ATOM 341 N HIS A 192 0.537 6.871 -4.183 1.00 15.00 N ATOM 342 CA HIS A 192 -0.341 8.043 -4.234 1.00 15.00 C ATOM 343 C HIS A 192 -0.007 8.898 -5.450 1.00 15.00 C ATOM 344 O HIS A 192 -0.758 9.795 -5.822 1.00 15.00 O ATOM 345 CB HIS A 192 -0.237 8.890 -2.958 1.00 15.00 C ATOM 346 CG HIS A 192 -1.329 8.640 -1.950 1.00 15.00 C ATOM 347 ND1 HIS A 192 -2.532 9.320 -1.943 1.00 15.00 N ATOM 348 CD2 HIS A 192 -1.374 7.810 -0.884 1.00 15.00 C ATOM 349 CE1 HIS A 192 -3.259 8.918 -0.919 1.00 15.00 C ATOM 350 NE2 HIS A 192 -2.582 8.003 -0.255 1.00 15.00 N ATOM 0 H HIS A 192 1.191 6.866 -3.400 1.00 15.00 H new ATOM 0 HA HIS A 192 -1.366 7.681 -4.313 1.00 15.00 H new ATOM 0 HB2 HIS A 192 0.726 8.696 -2.486 1.00 15.00 H new ATOM 0 HB3 HIS A 192 -0.250 9.944 -3.235 1.00 15.00 H new ATOM 0 HD2 HIS A 192 -0.601 7.120 -0.581 1.00 15.00 H new ATOM 0 HE1 HIS A 192 -4.245 9.279 -0.667 1.00 15.00 H new ATOM 0 HE2 HIS A 192 -2.900 7.519 0.585 1.00 15.00 H new ATOM 359 N ILE A 193 1.139 8.612 -6.053 1.00 15.00 N ATOM 360 CA ILE A 193 1.580 9.312 -7.249 1.00 15.00 C ATOM 361 C ILE A 193 1.196 8.529 -8.508 1.00 15.00 C ATOM 362 O ILE A 193 0.648 9.088 -9.460 1.00 15.00 O ATOM 363 CB ILE A 193 3.110 9.526 -7.225 1.00 15.00 C ATOM 364 CG1 ILE A 193 3.525 10.232 -5.930 1.00 15.00 C ATOM 365 CG2 ILE A 193 3.561 10.324 -8.440 1.00 15.00 C ATOM 366 CD1 ILE A 193 5.025 10.346 -5.755 1.00 15.00 C ATOM 0 H ILE A 193 1.785 7.892 -5.728 1.00 15.00 H new ATOM 0 HA ILE A 193 1.084 10.283 -7.267 1.00 15.00 H new ATOM 0 HB ILE A 193 3.597 8.552 -7.261 1.00 15.00 H new ATOM 0 HG12 ILE A 193 3.089 11.231 -5.915 1.00 15.00 H new ATOM 0 HG13 ILE A 193 3.109 9.690 -5.081 1.00 15.00 H new ATOM 0 HG21 ILE A 193 4.641 10.463 -8.403 1.00 15.00 H new ATOM 0 HG22 ILE A 193 3.295 9.784 -9.349 1.00 15.00 H new ATOM 0 HG23 ILE A 193 3.070 11.297 -8.439 1.00 15.00 H new ATOM 0 HD11 ILE A 193 5.244 10.856 -4.817 1.00 15.00 H new ATOM 0 HD12 ILE A 193 5.466 9.349 -5.738 1.00 15.00 H new ATOM 0 HD13 ILE A 193 5.446 10.915 -6.584 1.00 15.00 H new ATOM 378 N ASP A 194 1.463 7.225 -8.492 1.00 15.00 N ATOM 379 CA ASP A 194 1.245 6.380 -9.664 1.00 15.00 C ATOM 380 C ASP A 194 -0.201 5.907 -9.768 1.00 15.00 C ATOM 381 O ASP A 194 -0.601 5.380 -10.811 1.00 15.00 O ATOM 382 CB ASP A 194 2.175 5.161 -9.651 1.00 15.00 C ATOM 383 CG ASP A 194 3.644 5.528 -9.688 1.00 15.00 C ATOM 384 OD1 ASP A 194 4.161 5.833 -10.787 1.00 15.00 O ATOM 385 OD2 ASP A 194 4.293 5.487 -8.622 1.00 15.00 O1- ATOM 0 H ASP A 194 1.831 6.730 -7.680 1.00 15.00 H new ATOM 0 HA ASP A 194 1.471 6.997 -10.534 1.00 15.00 H new ATOM 0 HB2 ASP A 194 1.977 4.571 -8.756 1.00 15.00 H new ATOM 0 HB3 ASP A 194 1.944 4.527 -10.507 1.00 15.00 H new ATOM 390 N GLN A 195 -0.965 6.050 -8.674 1.00 15.00 N ATOM 391 CA GLN A 195 -2.382 5.662 -8.654 1.00 15.00 C ATOM 392 C GLN A 195 -2.499 4.136 -8.701 1.00 15.00 C ATOM 393 O GLN A 195 -3.455 3.578 -9.237 1.00 15.00 O ATOM 394 CB GLN A 195 -3.108 6.330 -9.840 1.00 15.00 C ATOM 395 CG GLN A 195 -4.609 6.100 -9.892 1.00 15.00 C ATOM 396 CD GLN A 195 -5.261 6.783 -11.075 1.00 15.00 C ATOM 397 OE1 GLN A 195 -4.804 7.829 -11.535 1.00 15.00 O ATOM 398 NE2 GLN A 195 -6.333 6.197 -11.578 1.00 15.00 N ATOM 0 H GLN A 195 -0.624 6.432 -7.792 1.00 15.00 H new ATOM 0 HA GLN A 195 -2.855 6.001 -7.733 1.00 15.00 H new ATOM 0 HB2 GLN A 195 -2.922 7.403 -9.801 1.00 15.00 H new ATOM 0 HB3 GLN A 195 -2.668 5.964 -10.768 1.00 15.00 H new ATOM 0 HG2 GLN A 195 -4.807 5.029 -9.940 1.00 15.00 H new ATOM 0 HG3 GLN A 195 -5.061 6.467 -8.971 1.00 15.00 H new ATOM 0 HE21 GLN A 195 -6.680 5.330 -11.168 1.00 15.00 H new ATOM 0 HE22 GLN A 195 -6.813 6.611 -12.377 1.00 15.00 H new ATOM 407 N THR A 196 -1.550 3.461 -8.074 1.00 15.00 N ATOM 408 CA THR A 196 -1.495 2.006 -8.150 1.00 15.00 C ATOM 409 C THR A 196 -1.533 1.353 -6.775 1.00 15.00 C ATOM 410 O THR A 196 -1.007 1.894 -5.799 1.00 15.00 O ATOM 411 CB THR A 196 -0.238 1.533 -8.908 1.00 15.00 C ATOM 412 OG1 THR A 196 0.904 2.265 -8.461 1.00 15.00 O ATOM 413 CG2 THR A 196 -0.406 1.712 -10.409 1.00 15.00 C ATOM 0 H THR A 196 -0.814 3.889 -7.512 1.00 15.00 H new ATOM 0 HA THR A 196 -2.385 1.696 -8.698 1.00 15.00 H new ATOM 0 HB THR A 196 -0.095 0.472 -8.701 1.00 15.00 H new ATOM 0 HG1 THR A 196 1.699 1.959 -8.945 1.00 15.00 H new ATOM 0 HG21 THR A 196 0.495 1.371 -10.919 1.00 15.00 H new ATOM 0 HG22 THR A 196 -1.260 1.128 -10.752 1.00 15.00 H new ATOM 0 HG23 THR A 196 -0.573 2.766 -10.633 1.00 15.00 H new ATOM 421 N THR A 197 -2.173 0.190 -6.713 1.00 15.00 N ATOM 422 CA THR A 197 -2.233 -0.601 -5.496 1.00 15.00 C ATOM 423 C THR A 197 -1.184 -1.708 -5.542 1.00 15.00 C ATOM 424 O THR A 197 -1.246 -2.597 -6.391 1.00 15.00 O ATOM 425 CB THR A 197 -3.626 -1.234 -5.320 1.00 15.00 C ATOM 426 OG1 THR A 197 -4.646 -0.254 -5.562 1.00 15.00 O ATOM 427 CG2 THR A 197 -3.792 -1.801 -3.917 1.00 15.00 C ATOM 0 H THR A 197 -2.663 -0.227 -7.505 1.00 15.00 H new ATOM 0 HA THR A 197 -2.037 0.061 -4.653 1.00 15.00 H new ATOM 0 HB THR A 197 -3.721 -2.047 -6.040 1.00 15.00 H new ATOM 0 HG1 THR A 197 -5.528 -0.666 -5.450 1.00 15.00 H new ATOM 0 HG21 THR A 197 -4.784 -2.242 -3.818 1.00 15.00 H new ATOM 0 HG22 THR A 197 -3.035 -2.566 -3.742 1.00 15.00 H new ATOM 0 HG23 THR A 197 -3.676 -1.001 -3.185 1.00 15.00 H new ATOM 435 N THR A 198 -0.224 -1.648 -4.636 1.00 15.00 N ATOM 436 CA THR A 198 0.885 -2.586 -4.635 1.00 15.00 C ATOM 437 C THR A 198 0.758 -3.612 -3.493 1.00 15.00 C ATOM 438 O THR A 198 0.574 -3.231 -2.335 1.00 15.00 O ATOM 439 CB THR A 198 2.215 -1.817 -4.496 1.00 15.00 C ATOM 440 OG1 THR A 198 2.282 -0.786 -5.492 1.00 15.00 O ATOM 441 CG2 THR A 198 3.409 -2.743 -4.646 1.00 15.00 C ATOM 0 H THR A 198 -0.190 -0.956 -3.888 1.00 15.00 H new ATOM 0 HA THR A 198 0.867 -3.130 -5.580 1.00 15.00 H new ATOM 0 HB THR A 198 2.248 -1.377 -3.499 1.00 15.00 H new ATOM 0 HG1 THR A 198 2.336 0.089 -5.054 1.00 15.00 H new ATOM 0 HG21 THR A 198 4.330 -2.169 -4.543 1.00 15.00 H new ATOM 0 HG22 THR A 198 3.372 -3.512 -3.874 1.00 15.00 H new ATOM 0 HG23 THR A 198 3.383 -3.214 -5.629 1.00 15.00 H new ATOM 449 N TRP A 199 0.838 -4.908 -3.824 1.00 15.00 N ATOM 450 CA TRP A 199 0.829 -5.966 -2.813 1.00 15.00 C ATOM 451 C TRP A 199 2.240 -6.222 -2.281 1.00 15.00 C ATOM 452 O TRP A 199 2.432 -6.544 -1.109 1.00 15.00 O ATOM 453 CB TRP A 199 0.314 -7.290 -3.390 1.00 15.00 C ATOM 454 CG TRP A 199 -1.174 -7.515 -3.371 1.00 15.00 C ATOM 455 CD1 TRP A 199 -1.934 -7.944 -4.425 1.00 15.00 C ATOM 456 CD2 TRP A 199 -2.083 -7.352 -2.268 1.00 15.00 C ATOM 457 NE1 TRP A 199 -3.237 -8.110 -4.036 1.00 15.00 N ATOM 458 CE2 TRP A 199 -3.350 -7.757 -2.727 1.00 15.00 C ATOM 459 CE3 TRP A 199 -1.967 -6.920 -0.935 1.00 15.00 C ATOM 460 CZ2 TRP A 199 -4.463 -7.761 -1.916 1.00 15.00 C ATOM 461 CZ3 TRP A 199 -3.114 -6.897 -0.147 1.00 15.00 C ATOM 462 CH2 TRP A 199 -4.341 -7.339 -0.663 1.00 15.00 C ATOM 0 H TRP A 199 0.910 -5.245 -4.784 1.00 15.00 H new ATOM 0 HA TRP A 199 0.171 -5.624 -2.014 1.00 15.00 H new ATOM 0 HB2 TRP A 199 0.654 -7.363 -4.423 1.00 15.00 H new ATOM 0 HB3 TRP A 199 0.786 -8.105 -2.841 1.00 15.00 H new ATOM 0 HD1 TRP A 199 -1.560 -8.126 -5.422 1.00 15.00 H new ATOM 0 HE1 TRP A 199 -3.997 -8.443 -4.630 1.00 15.00 H new ATOM 0 HE3 TRP A 199 -1.012 -6.614 -0.533 1.00 15.00 H new ATOM 0 HZ2 TRP A 199 -5.417 -8.101 -2.292 1.00 15.00 H new ATOM 0 HZ3 TRP A 199 -3.059 -6.536 0.869 1.00 15.00 H new ATOM 0 HH2 TRP A 199 -5.211 -7.336 -0.023 1.00 15.00 H new ATOM 473 N GLN A 200 3.219 -6.121 -3.170 1.00 15.00 N ATOM 474 CA GLN A 200 4.588 -6.512 -2.853 1.00 15.00 C ATOM 475 C GLN A 200 5.416 -5.314 -2.400 1.00 15.00 C ATOM 476 O GLN A 200 5.556 -4.338 -3.133 1.00 15.00 O ATOM 477 CB GLN A 200 5.228 -7.173 -4.073 1.00 15.00 C ATOM 478 CG GLN A 200 6.589 -7.797 -3.808 1.00 15.00 C ATOM 479 CD GLN A 200 6.575 -8.770 -2.646 1.00 15.00 C ATOM 480 OE1 GLN A 200 6.240 -9.941 -2.806 1.00 15.00 O ATOM 481 NE2 GLN A 200 6.984 -8.304 -1.476 1.00 15.00 N ATOM 0 H GLN A 200 3.091 -5.771 -4.119 1.00 15.00 H new ATOM 0 HA GLN A 200 4.561 -7.224 -2.028 1.00 15.00 H new ATOM 0 HB2 GLN A 200 4.555 -7.944 -4.448 1.00 15.00 H new ATOM 0 HB3 GLN A 200 5.331 -6.428 -4.862 1.00 15.00 H new ATOM 0 HG2 GLN A 200 6.926 -8.315 -4.705 1.00 15.00 H new ATOM 0 HG3 GLN A 200 7.312 -7.007 -3.605 1.00 15.00 H new ATOM 0 HE21 GLN A 200 7.254 -7.325 -1.383 1.00 15.00 H new ATOM 0 HE22 GLN A 200 7.029 -8.924 -0.668 1.00 15.00 H new ATOM 490 N ASP A 201 5.976 -5.420 -1.196 1.00 15.00 N ATOM 491 CA ASP A 201 6.744 -4.334 -0.582 1.00 15.00 C ATOM 492 C ASP A 201 7.861 -3.833 -1.499 1.00 15.00 C ATOM 493 O ASP A 201 8.831 -4.546 -1.774 1.00 15.00 O ATOM 494 CB ASP A 201 7.333 -4.789 0.753 1.00 15.00 C ATOM 495 CG ASP A 201 7.657 -3.623 1.666 1.00 15.00 C ATOM 496 OD1 ASP A 201 8.057 -2.560 1.159 1.00 15.00 O1- ATOM 497 OD2 ASP A 201 7.493 -3.766 2.897 1.00 15.00 O ATOM 0 H ASP A 201 5.911 -6.258 -0.619 1.00 15.00 H new ATOM 0 HA ASP A 201 6.056 -3.506 -0.413 1.00 15.00 H new ATOM 0 HB2 ASP A 201 6.627 -5.453 1.252 1.00 15.00 H new ATOM 0 HB3 ASP A 201 8.239 -5.367 0.570 1.00 15.00 H new ATOM 502 N PRO A 202 7.712 -2.587 -1.973 1.00 15.00 N ATOM 503 CA PRO A 202 8.634 -1.949 -2.930 1.00 15.00 C ATOM 504 C PRO A 202 10.051 -1.716 -2.400 1.00 15.00 C ATOM 505 O PRO A 202 10.985 -1.542 -3.185 1.00 15.00 O ATOM 506 CB PRO A 202 7.971 -0.599 -3.213 1.00 15.00 C ATOM 507 CG PRO A 202 7.092 -0.354 -2.038 1.00 15.00 C ATOM 508 CD PRO A 202 6.588 -1.699 -1.632 1.00 15.00 C ATOM 0 HA PRO A 202 8.776 -2.593 -3.798 1.00 15.00 H new ATOM 0 HB2 PRO A 202 8.714 0.191 -3.323 1.00 15.00 H new ATOM 0 HB3 PRO A 202 7.396 -0.627 -4.138 1.00 15.00 H new ATOM 0 HG2 PRO A 202 7.644 0.120 -1.226 1.00 15.00 H new ATOM 0 HG3 PRO A 202 6.269 0.313 -2.295 1.00 15.00 H new ATOM 0 HD2 PRO A 202 6.351 -1.738 -0.569 1.00 15.00 H new ATOM 0 HD3 PRO A 202 5.681 -1.970 -2.171 1.00 15.00 H new ATOM 516 N ARG A 203 10.219 -1.672 -1.084 1.00 15.00 N ATOM 517 CA ARG A 203 11.539 -1.402 -0.514 1.00 15.00 C ATOM 518 C ARG A 203 12.405 -2.655 -0.547 1.00 15.00 C ATOM 519 O ARG A 203 13.623 -2.585 -0.381 1.00 15.00 O ATOM 520 CB ARG A 203 11.434 -0.873 0.920 1.00 15.00 C ATOM 521 CG ARG A 203 10.727 -1.828 1.856 1.00 15.00 C ATOM 522 CD ARG A 203 10.553 -1.253 3.246 1.00 15.00 C ATOM 523 NE ARG A 203 9.569 -2.018 4.008 1.00 15.00 N ATOM 524 CZ ARG A 203 9.745 -2.442 5.257 1.00 15.00 C ATOM 525 NH1 ARG A 203 10.908 -2.269 5.872 1.00 15.00 N1+ ATOM 526 NH2 ARG A 203 8.759 -3.073 5.881 1.00 15.00 N ATOM 0 H ARG A 203 9.476 -1.816 -0.400 1.00 15.00 H new ATOM 0 HA ARG A 203 12.008 -0.631 -1.125 1.00 15.00 H new ATOM 0 HB2 ARG A 203 12.436 -0.675 1.302 1.00 15.00 H new ATOM 0 HB3 ARG A 203 10.902 0.078 0.912 1.00 15.00 H new ATOM 0 HG2 ARG A 203 9.749 -2.078 1.444 1.00 15.00 H new ATOM 0 HG3 ARG A 203 11.294 -2.757 1.919 1.00 15.00 H new ATOM 0 HD2 ARG A 203 11.509 -1.260 3.769 1.00 15.00 H new ATOM 0 HD3 ARG A 203 10.236 -0.213 3.176 1.00 15.00 H new ATOM 0 HE ARG A 203 8.685 -2.243 3.551 1.00 15.00 H new ATOM 0 HH11 ARG A 203 11.678 -1.807 5.387 1.00 15.00 H new ATOM 0 HH12 ARG A 203 11.032 -2.598 6.830 1.00 15.00 H new ATOM 0 HH21 ARG A 203 7.872 -3.231 5.403 1.00 15.00 H new ATOM 0 HH22 ARG A 203 8.888 -3.400 6.838 1.00 15.00 H new ATOM 540 N LYS A 204 11.769 -3.801 -0.746 1.00 15.00 N ATOM 541 CA LYS A 204 12.490 -5.056 -0.828 1.00 15.00 C ATOM 542 C LYS A 204 12.667 -5.462 -2.288 1.00 15.00 C ATOM 543 O LYS A 204 13.746 -5.300 -2.857 1.00 15.00 O ATOM 544 CB LYS A 204 11.746 -6.152 -0.063 1.00 15.00 C ATOM 545 CG LYS A 204 12.615 -7.359 0.258 1.00 15.00 C ATOM 546 CD LYS A 204 11.797 -8.503 0.838 1.00 15.00 C ATOM 547 CE LYS A 204 10.910 -9.145 -0.219 1.00 15.00 C ATOM 548 NZ LYS A 204 11.707 -9.856 -1.256 1.00 15.00 N1+ ATOM 0 H LYS A 204 10.758 -3.884 -0.853 1.00 15.00 H new ATOM 0 HA LYS A 204 13.472 -4.924 -0.375 1.00 15.00 H new ATOM 0 HB2 LYS A 204 11.357 -5.736 0.866 1.00 15.00 H new ATOM 0 HB3 LYS A 204 10.888 -6.477 -0.651 1.00 15.00 H new ATOM 0 HG2 LYS A 204 13.120 -7.695 -0.648 1.00 15.00 H new ATOM 0 HG3 LYS A 204 13.391 -7.070 0.967 1.00 15.00 H new ATOM 0 HD2 LYS A 204 12.466 -9.254 1.258 1.00 15.00 H new ATOM 0 HD3 LYS A 204 11.180 -8.132 1.656 1.00 15.00 H new ATOM 0 HE2 LYS A 204 10.227 -9.847 0.258 1.00 15.00 H new ATOM 0 HE3 LYS A 204 10.298 -8.378 -0.694 1.00 15.00 H new ATOM 0 HZ1 LYS A 204 11.066 -10.364 -1.899 1.00 15.00 H new ATOM 0 HZ2 LYS A 204 12.266 -9.166 -1.798 1.00 15.00 H new ATOM 0 HZ3 LYS A 204 12.347 -10.536 -0.797 1.00 15.00 H new ATOM 562 N ALA A 205 11.585 -5.939 -2.897 1.00 15.00 N ATOM 563 CA ALA A 205 11.611 -6.415 -4.275 1.00 15.00 C ATOM 564 C ALA A 205 10.192 -6.683 -4.765 1.00 15.00 C ATOM 565 O ALA A 205 9.589 -5.776 -5.372 1.00 15.00 O ATOM 566 CB ALA A 205 12.461 -7.675 -4.392 1.00 15.00 C ATOM 567 OXT ALA A 205 9.679 -7.798 -4.522 1.00 15.00 O ATOM 0 H ALA A 205 10.670 -6.006 -2.451 1.00 15.00 H new ATOM 0 HA ALA A 205 12.058 -5.642 -4.900 1.00 15.00 H new ATOM 0 HB1 ALA A 205 12.468 -8.014 -5.428 1.00 15.00 H new ATOM 0 HB2 ALA A 205 13.481 -7.457 -4.075 1.00 15.00 H new ATOM 0 HB3 ALA A 205 12.043 -8.456 -3.757 1.00 15.00 H new TER 573 ALA A 205 ATOM 574 N GLY B 204 -2.186 -15.200 -5.165 1.00 15.00 N ATOM 575 CA GLY B 204 -3.580 -15.508 -4.766 1.00 15.00 C ATOM 576 C GLY B 204 -4.059 -14.593 -3.662 1.00 15.00 C ATOM 577 O GLY B 204 -4.274 -15.023 -2.526 1.00 15.00 O ATOM 0 HA2 GLY B 204 -4.236 -15.410 -5.631 1.00 15.00 H new ATOM 0 HA3 GLY B 204 -3.643 -16.544 -4.433 1.00 15.00 H new ATOM 583 N GLU B 205 -4.224 -13.325 -3.998 1.00 15.00 N ATOM 584 CA GLU B 205 -4.642 -12.320 -3.036 1.00 15.00 C ATOM 585 C GLU B 205 -6.084 -11.925 -3.297 1.00 15.00 C ATOM 586 O GLU B 205 -6.548 -11.949 -4.436 1.00 15.00 O ATOM 587 CB GLU B 205 -3.759 -11.068 -3.106 1.00 15.00 C ATOM 588 CG GLU B 205 -2.262 -11.335 -3.011 1.00 15.00 C ATOM 589 CD GLU B 205 -1.908 -12.390 -1.984 1.00 15.00 C ATOM 590 OE1 GLU B 205 -2.156 -12.170 -0.782 1.00 15.00 O ATOM 591 OE2 GLU B 205 -1.377 -13.447 -2.381 1.00 15.00 O1- ATOM 0 H GLU B 205 -4.073 -12.965 -4.940 1.00 15.00 H new ATOM 0 HA GLU B 205 -4.544 -12.755 -2.041 1.00 15.00 H new ATOM 0 HB2 GLU B 205 -3.962 -10.549 -4.043 1.00 15.00 H new ATOM 0 HB3 GLU B 205 -4.045 -10.393 -2.299 1.00 15.00 H new ATOM 0 HG2 GLU B 205 -1.893 -11.649 -3.987 1.00 15.00 H new ATOM 0 HG3 GLU B 205 -1.749 -10.406 -2.760 1.00 15.00 H new ATOM 598 N SER B 206 -6.777 -11.536 -2.248 1.00 15.00 N ATOM 599 CA SER B 206 -8.136 -11.056 -2.373 1.00 15.00 C ATOM 600 C SER B 206 -8.075 -9.551 -2.604 1.00 15.00 C ATOM 601 O SER B 206 -7.148 -8.908 -2.119 1.00 15.00 O ATOM 602 CB SER B 206 -8.914 -11.370 -1.094 1.00 15.00 C ATOM 603 OG SER B 206 -8.742 -12.727 -0.713 1.00 15.00 O ATOM 0 H SER B 206 -6.418 -11.543 -1.293 1.00 15.00 H new ATOM 0 HA SER B 206 -8.644 -11.542 -3.205 1.00 15.00 H new ATOM 0 HB2 SER B 206 -8.576 -10.717 -0.289 1.00 15.00 H new ATOM 0 HB3 SER B 206 -9.973 -11.164 -1.249 1.00 15.00 H new ATOM 0 HG SER B 206 -9.247 -12.903 0.108 1.00 15.00 H new ATOM 609 N PRO B 207 -9.052 -8.970 -3.327 1.00 15.00 N ATOM 610 CA PRO B 207 -8.982 -7.576 -3.789 1.00 15.00 C ATOM 611 C PRO B 207 -8.592 -6.608 -2.675 1.00 15.00 C ATOM 612 O PRO B 207 -9.173 -6.626 -1.588 1.00 15.00 O ATOM 613 CB PRO B 207 -10.408 -7.281 -4.284 1.00 15.00 C ATOM 614 CG PRO B 207 -11.240 -8.440 -3.839 1.00 15.00 C ATOM 615 CD PRO B 207 -10.305 -9.607 -3.744 1.00 15.00 C ATOM 0 HA PRO B 207 -8.218 -7.446 -4.556 1.00 15.00 H new ATOM 0 HB2 PRO B 207 -10.782 -6.347 -3.865 1.00 15.00 H new ATOM 0 HB3 PRO B 207 -10.432 -7.176 -5.369 1.00 15.00 H new ATOM 0 HG2 PRO B 207 -11.709 -8.237 -2.876 1.00 15.00 H new ATOM 0 HG3 PRO B 207 -12.043 -8.640 -4.549 1.00 15.00 H new ATOM 0 HD2 PRO B 207 -10.648 -10.345 -3.018 1.00 15.00 H new ATOM 0 HD3 PRO B 207 -10.201 -10.123 -4.698 1.00 15.00 H new ATOM 623 N PRO B 208 -7.605 -5.739 -2.944 1.00 15.00 N ATOM 624 CA PRO B 208 -6.986 -4.852 -1.978 1.00 15.00 C ATOM 625 C PRO B 208 -7.697 -3.488 -1.974 1.00 15.00 C ATOM 626 O PRO B 208 -8.664 -3.288 -2.714 1.00 15.00 O ATOM 627 CB PRO B 208 -5.532 -4.742 -2.528 1.00 15.00 C ATOM 628 CG PRO B 208 -5.565 -5.470 -3.846 1.00 15.00 C ATOM 629 CD PRO B 208 -7.002 -5.434 -4.225 1.00 15.00 C ATOM 0 HA PRO B 208 -7.031 -5.203 -0.947 1.00 15.00 H new ATOM 0 HB2 PRO B 208 -5.236 -3.701 -2.658 1.00 15.00 H new ATOM 0 HB3 PRO B 208 -4.815 -5.195 -1.844 1.00 15.00 H new ATOM 0 HG2 PRO B 208 -4.940 -4.978 -4.592 1.00 15.00 H new ATOM 0 HG3 PRO B 208 -5.201 -6.493 -3.749 1.00 15.00 H new ATOM 0 HD2 PRO B 208 -7.308 -4.461 -4.609 1.00 15.00 H new ATOM 0 HD3 PRO B 208 -7.251 -6.171 -4.989 1.00 15.00 H new ATOM 637 N PRO B 209 -7.236 -2.545 -1.140 1.00 15.00 N ATOM 638 CA PRO B 209 -7.835 -1.206 -0.999 1.00 15.00 C ATOM 639 C PRO B 209 -8.096 -0.490 -2.320 1.00 15.00 C ATOM 640 O PRO B 209 -7.249 -0.489 -3.221 1.00 15.00 O ATOM 641 CB PRO B 209 -6.750 -0.418 -0.256 1.00 15.00 C ATOM 642 CG PRO B 209 -5.555 -1.303 -0.226 1.00 15.00 C ATOM 643 CD PRO B 209 -6.093 -2.692 -0.247 1.00 15.00 C ATOM 0 HA PRO B 209 -8.805 -1.283 -0.508 1.00 15.00 H new ATOM 0 HB2 PRO B 209 -6.529 0.520 -0.766 1.00 15.00 H new ATOM 0 HB3 PRO B 209 -7.074 -0.163 0.753 1.00 15.00 H new ATOM 0 HG2 PRO B 209 -4.908 -1.119 -1.084 1.00 15.00 H new ATOM 0 HG3 PRO B 209 -4.957 -1.126 0.668 1.00 15.00 H new ATOM 0 HD2 PRO B 209 -5.365 -3.409 -0.627 1.00 15.00 H new ATOM 0 HD3 PRO B 209 -6.388 -3.033 0.745 1.00 15.00 H new ATOM 651 N PRO B 210 -9.272 0.142 -2.439 1.00 15.00 N ATOM 652 CA PRO B 210 -9.561 1.061 -3.536 1.00 15.00 C ATOM 653 C PRO B 210 -8.689 2.310 -3.435 1.00 15.00 C ATOM 654 O PRO B 210 -8.586 2.925 -2.372 1.00 15.00 O ATOM 655 CB PRO B 210 -11.040 1.411 -3.344 1.00 15.00 C ATOM 656 CG PRO B 210 -11.320 1.133 -1.907 1.00 15.00 C ATOM 657 CD PRO B 210 -10.414 -0.003 -1.519 1.00 15.00 C ATOM 0 HA PRO B 210 -9.357 0.628 -4.515 1.00 15.00 H new ATOM 0 HB2 PRO B 210 -11.233 2.455 -3.589 1.00 15.00 H new ATOM 0 HB3 PRO B 210 -11.675 0.809 -3.993 1.00 15.00 H new ATOM 0 HG2 PRO B 210 -11.126 2.013 -1.294 1.00 15.00 H new ATOM 0 HG3 PRO B 210 -12.366 0.866 -1.758 1.00 15.00 H new ATOM 0 HD2 PRO B 210 -10.102 0.069 -0.477 1.00 15.00 H new ATOM 0 HD3 PRO B 210 -10.906 -0.968 -1.638 1.00 15.00 H new ATOM 665 N TYR B 211 -8.077 2.685 -4.542 1.00 15.00 N ATOM 666 CA TYR B 211 -7.099 3.770 -4.567 1.00 15.00 C ATOM 667 C TYR B 211 -7.712 5.152 -4.276 1.00 15.00 C ATOM 668 O TYR B 211 -6.978 6.106 -4.022 1.00 15.00 O ATOM 669 CB TYR B 211 -6.339 3.791 -5.906 1.00 15.00 C ATOM 670 CG TYR B 211 -5.485 5.027 -6.071 1.00 15.00 C ATOM 671 CD1 TYR B 211 -4.226 5.101 -5.500 1.00 15.00 C ATOM 672 CD2 TYR B 211 -5.965 6.142 -6.751 1.00 15.00 C ATOM 673 CE1 TYR B 211 -3.466 6.243 -5.597 1.00 15.00 C ATOM 674 CE2 TYR B 211 -5.204 7.287 -6.860 1.00 15.00 C ATOM 675 CZ TYR B 211 -3.958 7.336 -6.278 1.00 15.00 C ATOM 676 OH TYR B 211 -3.208 8.485 -6.371 1.00 15.00 O ATOM 0 H TYR B 211 -8.239 2.251 -5.451 1.00 15.00 H new ATOM 0 HA TYR B 211 -6.399 3.564 -3.757 1.00 15.00 H new ATOM 0 HB2 TYR B 211 -5.707 2.906 -5.975 1.00 15.00 H new ATOM 0 HB3 TYR B 211 -7.055 3.736 -6.726 1.00 15.00 H new ATOM 0 HD1 TYR B 211 -3.834 4.246 -4.969 1.00 15.00 H new ATOM 0 HD2 TYR B 211 -6.947 6.110 -7.200 1.00 15.00 H new ATOM 0 HE1 TYR B 211 -2.488 6.283 -5.141 1.00 15.00 H new ATOM 0 HE2 TYR B 211 -5.584 8.142 -7.400 1.00 15.00 H new ATOM 0 HH TYR B 211 -3.702 9.157 -6.885 1.00 15.00 H new ATOM 686 N SER B 212 -9.036 5.259 -4.233 1.00 15.00 N ATOM 687 CA SER B 212 -9.692 6.543 -4.470 1.00 15.00 C ATOM 688 C SER B 212 -9.230 7.614 -3.477 1.00 15.00 C ATOM 689 O SER B 212 -8.698 8.638 -3.907 1.00 15.00 O ATOM 690 CB SER B 212 -11.208 6.363 -4.406 1.00 15.00 C ATOM 691 OG SER B 212 -11.622 5.313 -5.266 1.00 15.00 O ATOM 0 H SER B 212 -9.670 4.484 -4.039 1.00 15.00 H new ATOM 0 HA SER B 212 -9.410 6.890 -5.464 1.00 15.00 H new ATOM 0 HB2 SER B 212 -11.511 6.143 -3.382 1.00 15.00 H new ATOM 0 HB3 SER B 212 -11.702 7.291 -4.692 1.00 15.00 H new ATOM 0 HG SER B 212 -12.595 5.210 -5.212 1.00 15.00 H new ATOM 697 N ARG B 213 -9.418 7.437 -2.177 1.00 15.00 N ATOM 698 CA ARG B 213 -8.675 8.290 -1.259 1.00 15.00 C ATOM 699 C ARG B 213 -7.803 7.458 -0.340 1.00 15.00 C ATOM 700 O ARG B 213 -6.579 7.439 -0.458 1.00 15.00 O ATOM 701 CB ARG B 213 -9.611 9.139 -0.394 1.00 15.00 C ATOM 702 CG ARG B 213 -9.034 10.497 -0.028 1.00 15.00 C ATOM 703 CD ARG B 213 -9.152 11.482 -1.183 1.00 15.00 C ATOM 704 NE ARG B 213 -10.553 11.793 -1.474 1.00 15.00 N ATOM 705 CZ ARG B 213 -11.011 13.008 -1.769 1.00 15.00 C ATOM 706 NH1 ARG B 213 -10.183 14.041 -1.841 1.00 15.00 N1+ ATOM 707 NH2 ARG B 213 -12.306 13.190 -1.983 1.00 15.00 N ATOM 0 H ARG B 213 -10.041 6.752 -1.751 1.00 15.00 H new ATOM 0 HA ARG B 213 -8.057 8.947 -1.871 1.00 15.00 H new ATOM 0 HB2 ARG B 213 -10.552 9.284 -0.925 1.00 15.00 H new ATOM 0 HB3 ARG B 213 -9.842 8.593 0.521 1.00 15.00 H new ATOM 0 HG2 ARG B 213 -9.556 10.892 0.844 1.00 15.00 H new ATOM 0 HG3 ARG B 213 -7.986 10.385 0.251 1.00 15.00 H new ATOM 0 HD2 ARG B 213 -8.617 12.399 -0.938 1.00 15.00 H new ATOM 0 HD3 ARG B 213 -8.678 11.064 -2.071 1.00 15.00 H new ATOM 0 HE ARG B 213 -11.225 11.026 -1.449 1.00 15.00 H new ATOM 0 HH11 ARG B 213 -9.186 13.909 -1.670 1.00 15.00 H new ATOM 0 HH12 ARG B 213 -10.543 14.968 -2.068 1.00 15.00 H new ATOM 0 HH21 ARG B 213 -12.949 12.401 -1.922 1.00 15.00 H new ATOM 0 HH22 ARG B 213 -12.660 14.120 -2.209 1.00 15.00 H new ATOM 721 N TYR B 214 -8.464 6.764 0.571 1.00 15.00 N ATOM 722 CA TYR B 214 -7.792 5.974 1.583 1.00 15.00 C ATOM 723 C TYR B 214 -8.190 4.509 1.501 1.00 15.00 C ATOM 724 O TYR B 214 -9.354 4.193 1.248 1.00 15.00 O ATOM 725 CB TYR B 214 -8.059 6.574 2.964 1.00 15.00 C ATOM 726 CG TYR B 214 -7.222 7.812 3.212 1.00 15.00 C ATOM 727 CD1 TYR B 214 -7.338 8.938 2.396 1.00 15.00 C ATOM 728 CD2 TYR B 214 -6.289 7.842 4.239 1.00 15.00 C ATOM 729 CE1 TYR B 214 -6.544 10.052 2.601 1.00 15.00 C ATOM 730 CE2 TYR B 214 -5.500 8.956 4.454 1.00 15.00 C ATOM 731 CZ TYR B 214 -5.631 10.056 3.633 1.00 15.00 C ATOM 732 OH TYR B 214 -4.836 11.164 3.840 1.00 15.00 O ATOM 0 H TYR B 214 -9.482 6.734 0.628 1.00 15.00 H new ATOM 0 HA TYR B 214 -6.717 6.005 1.403 1.00 15.00 H new ATOM 0 HB2 TYR B 214 -9.116 6.826 3.052 1.00 15.00 H new ATOM 0 HB3 TYR B 214 -7.844 5.830 3.731 1.00 15.00 H new ATOM 0 HD1 TYR B 214 -8.059 8.940 1.592 1.00 15.00 H new ATOM 0 HD2 TYR B 214 -6.178 6.981 4.881 1.00 15.00 H new ATOM 0 HE1 TYR B 214 -6.639 10.913 1.956 1.00 15.00 H new ATOM 0 HE2 TYR B 214 -4.783 8.965 5.262 1.00 15.00 H new ATOM 0 HH TYR B 214 -4.248 11.006 4.608 1.00 15.00 H new ATOM 742 N PRO B 215 -7.236 3.601 1.745 1.00 15.00 N ATOM 743 CA PRO B 215 -7.475 2.153 1.703 1.00 15.00 C ATOM 744 C PRO B 215 -8.532 1.679 2.697 1.00 15.00 C ATOM 745 O PRO B 215 -9.427 0.902 2.349 1.00 15.00 O ATOM 746 CB PRO B 215 -6.112 1.556 2.069 1.00 15.00 C ATOM 747 CG PRO B 215 -5.133 2.620 1.740 1.00 15.00 C ATOM 748 CD PRO B 215 -5.826 3.913 2.042 1.00 15.00 C ATOM 0 HA PRO B 215 -7.857 1.849 0.728 1.00 15.00 H new ATOM 0 HB2 PRO B 215 -6.067 1.290 3.125 1.00 15.00 H new ATOM 0 HB3 PRO B 215 -5.913 0.646 1.502 1.00 15.00 H new ATOM 0 HG2 PRO B 215 -4.225 2.514 2.334 1.00 15.00 H new ATOM 0 HG3 PRO B 215 -4.837 2.570 0.692 1.00 15.00 H new ATOM 0 HD2 PRO B 215 -5.688 4.214 3.081 1.00 15.00 H new ATOM 0 HD3 PRO B 215 -5.452 4.728 1.422 1.00 15.00 H new ATOM 756 N MET B 216 -8.410 2.125 3.936 1.00 15.00 N ATOM 757 CA MET B 216 -9.321 1.713 4.988 1.00 15.00 C ATOM 758 C MET B 216 -9.461 2.818 6.020 1.00 15.00 C ATOM 759 O MET B 216 -8.461 3.307 6.547 1.00 15.00 O ATOM 760 CB MET B 216 -8.807 0.438 5.660 1.00 15.00 C ATOM 761 CG MET B 216 -9.735 -0.134 6.724 1.00 15.00 C ATOM 762 SD MET B 216 -11.113 -1.087 6.040 1.00 15.00 S ATOM 763 CE MET B 216 -12.137 0.195 5.317 1.00 15.00 C ATOM 0 H MET B 216 -7.685 2.776 4.238 1.00 15.00 H new ATOM 0 HA MET B 216 -10.297 1.513 4.547 1.00 15.00 H new ATOM 0 HB2 MET B 216 -8.642 -0.320 4.894 1.00 15.00 H new ATOM 0 HB3 MET B 216 -7.839 0.647 6.115 1.00 15.00 H new ATOM 0 HG2 MET B 216 -9.158 -0.773 7.393 1.00 15.00 H new ATOM 0 HG3 MET B 216 -10.132 0.683 7.327 1.00 15.00 H new ATOM 0 HE1 MET B 216 -13.175 -0.136 5.299 1.00 15.00 H new ATOM 0 HE2 MET B 216 -12.056 1.104 5.912 1.00 15.00 H new ATOM 0 HE3 MET B 216 -11.803 0.397 4.299 1.00 15.00 H new ATOM 773 N ASP B 217 -10.691 3.215 6.295 1.00 15.00 N ATOM 774 CA ASP B 217 -10.955 4.206 7.327 1.00 15.00 C ATOM 775 C ASP B 217 -11.545 3.519 8.548 1.00 15.00 C ATOM 776 O ASP B 217 -12.785 3.412 8.630 1.00 15.00 O ATOM 777 CB ASP B 217 -11.911 5.287 6.815 1.00 15.00 C ATOM 778 CG ASP B 217 -12.219 6.340 7.866 1.00 15.00 C ATOM 779 OD1 ASP B 217 -11.344 7.189 8.138 1.00 15.00 O ATOM 780 OD2 ASP B 217 -13.340 6.334 8.421 1.00 15.00 O1- ATOM 781 OXT ASP B 217 -10.768 3.058 9.406 1.00 15.00 O ATOM 0 H ASP B 217 -11.523 2.867 5.819 1.00 15.00 H new ATOM 0 HA ASP B 217 -10.016 4.689 7.599 1.00 15.00 H new ATOM 0 HB2 ASP B 217 -11.474 5.769 5.940 1.00 15.00 H new ATOM 0 HB3 ASP B 217 -12.841 4.820 6.490 1.00 15.00 H new TER 786 ASP B 217