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= 0.719 K(o=1.7,f=-7.2!) USER MOD Set 1.2: A 198 THR OG1 : rot 120:sc= 0.932 USER MOD Set 2.1: A 182 THR OG1 : rot 173:sc= 0.336 USER MOD Set 2.2: A 184 SER OG : rot 87:sc= 0.344 USER MOD Single : A 179 MET CE :methyl 172:sc= -7.39! (180deg=-8.63!) USER MOD Single : A 181 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 183 SER OG : rot 180:sc= 0.0101 USER MOD Single : A 186 GLN : amide:sc= -0.642 K(o=-0.64,f=-1.5) USER MOD Single : A 188 TYR OH : rot -124:sc= -2.24! USER MOD Single : A 192 HIS : no HD1:sc= -0.548! C(o=-0.55!,f=-5.7!) USER MOD Single : A 195 GLN : amide:sc= 0 K(o=0,f=-0.54) USER MOD Single : A 196 THR OG1 : rot 180:sc= -0.453 USER MOD Single : A 197 THR OG1 : rot 180:sc= 0 USER MOD Single : A 200 GLN : amide:sc= -1.18 K(o=-1.2,f=-0.19) USER MOD Single : A 204 LYS NZ :NH3+ 137:sc= -3.14! (180deg=-5.82!) USER MOD Single : B 206 SER OG : rot 180:sc= 0 USER MOD Single : B 211 TYR OH : rot 180:sc= -0.4 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 11.308 7.741 9.326 1.00 15.00 N ATOM 2 CA ASP A 170 10.627 8.128 8.067 1.00 15.00 C ATOM 3 C ASP A 170 11.123 7.304 6.882 1.00 15.00 C ATOM 4 O ASP A 170 10.498 7.301 5.823 1.00 15.00 O ATOM 5 CB ASP A 170 10.850 9.614 7.776 1.00 15.00 C ATOM 6 CG ASP A 170 12.317 9.946 7.588 1.00 15.00 C ATOM 7 OD1 ASP A 170 13.132 9.533 8.439 1.00 15.00 O ATOM 8 OD2 ASP A 170 12.658 10.629 6.602 1.00 15.00 O1- ATOM 0 HA ASP A 170 9.563 7.934 8.201 1.00 15.00 H new ATOM 0 HB2 ASP A 170 10.298 9.894 6.879 1.00 15.00 H new ATOM 0 HB3 ASP A 170 10.447 10.208 8.596 1.00 15.00 H new ATOM 15 N VAL A 171 12.252 6.620 7.047 1.00 15.00 N ATOM 16 CA VAL A 171 12.851 5.870 5.943 1.00 15.00 C ATOM 17 C VAL A 171 12.207 4.489 5.666 1.00 15.00 C ATOM 18 O VAL A 171 12.191 4.073 4.515 1.00 15.00 O ATOM 19 CB VAL A 171 14.383 5.710 6.099 1.00 15.00 C ATOM 20 CG1 VAL A 171 15.062 7.072 6.121 1.00 15.00 C ATOM 21 CG2 VAL A 171 14.740 4.914 7.342 1.00 15.00 C ATOM 0 H VAL A 171 12.768 6.568 7.925 1.00 15.00 H new ATOM 0 HA VAL A 171 12.640 6.491 5.072 1.00 15.00 H new ATOM 0 HB VAL A 171 14.746 5.152 5.236 1.00 15.00 H new ATOM 0 HG11 VAL A 171 16.138 6.940 6.231 1.00 15.00 H new ATOM 0 HG12 VAL A 171 14.854 7.597 5.189 1.00 15.00 H new ATOM 0 HG13 VAL A 171 14.680 7.655 6.959 1.00 15.00 H new ATOM 0 HG21 VAL A 171 15.824 4.823 7.417 1.00 15.00 H new ATOM 0 HG22 VAL A 171 14.357 5.426 8.225 1.00 15.00 H new ATOM 0 HG23 VAL A 171 14.296 3.921 7.278 1.00 15.00 H new ATOM 31 N PRO A 172 11.655 3.739 6.670 1.00 15.00 N ATOM 32 CA PRO A 172 11.125 2.384 6.412 1.00 15.00 C ATOM 33 C PRO A 172 9.897 2.386 5.502 1.00 15.00 C ATOM 34 O PRO A 172 9.432 1.333 5.063 1.00 15.00 O ATOM 35 CB PRO A 172 10.751 1.865 7.802 1.00 15.00 C ATOM 36 CG PRO A 172 10.511 3.091 8.607 1.00 15.00 C ATOM 37 CD PRO A 172 11.487 4.109 8.091 1.00 15.00 C ATOM 0 HA PRO A 172 11.859 1.767 5.893 1.00 15.00 H new ATOM 0 HB2 PRO A 172 9.862 1.235 7.764 1.00 15.00 H new ATOM 0 HB3 PRO A 172 11.552 1.261 8.229 1.00 15.00 H new ATOM 0 HG2 PRO A 172 9.484 3.440 8.494 1.00 15.00 H new ATOM 0 HG3 PRO A 172 10.668 2.900 9.669 1.00 15.00 H new ATOM 0 HD2 PRO A 172 11.103 5.123 8.199 1.00 15.00 H new ATOM 0 HD3 PRO A 172 12.433 4.067 8.631 1.00 15.00 H new ATOM 45 N LEU A 173 9.365 3.569 5.243 1.00 15.00 N ATOM 46 CA LEU A 173 8.207 3.720 4.385 1.00 15.00 C ATOM 47 C LEU A 173 8.561 4.607 3.192 1.00 15.00 C ATOM 48 O LEU A 173 8.834 5.794 3.365 1.00 15.00 O ATOM 49 CB LEU A 173 7.043 4.331 5.174 1.00 15.00 C ATOM 50 CG LEU A 173 6.606 3.545 6.417 1.00 15.00 C ATOM 51 CD1 LEU A 173 5.579 4.338 7.211 1.00 15.00 C ATOM 52 CD2 LEU A 173 6.041 2.182 6.031 1.00 15.00 C ATOM 0 H LEU A 173 9.723 4.446 5.621 1.00 15.00 H new ATOM 0 HA LEU A 173 7.903 2.739 4.019 1.00 15.00 H new ATOM 0 HB2 LEU A 173 7.324 5.338 5.482 1.00 15.00 H new ATOM 0 HB3 LEU A 173 6.186 4.429 4.507 1.00 15.00 H new ATOM 0 HG LEU A 173 7.484 3.383 7.042 1.00 15.00 H new ATOM 0 HD11 LEU A 173 5.279 3.767 8.090 1.00 15.00 H new ATOM 0 HD12 LEU A 173 6.015 5.286 7.526 1.00 15.00 H new ATOM 0 HD13 LEU A 173 4.706 4.530 6.587 1.00 15.00 H new ATOM 0 HD21 LEU A 173 5.739 1.645 6.930 1.00 15.00 H new ATOM 0 HD22 LEU A 173 5.176 2.317 5.381 1.00 15.00 H new ATOM 0 HD23 LEU A 173 6.804 1.608 5.505 1.00 15.00 H new ATOM 64 N PRO A 174 8.598 4.034 1.971 1.00 15.00 N ATOM 65 CA PRO A 174 8.933 4.781 0.749 1.00 15.00 C ATOM 66 C PRO A 174 8.035 6.003 0.546 1.00 15.00 C ATOM 67 O PRO A 174 6.874 6.014 0.967 1.00 15.00 O ATOM 68 CB PRO A 174 8.714 3.753 -0.369 1.00 15.00 C ATOM 69 CG PRO A 174 8.853 2.429 0.298 1.00 15.00 C ATOM 70 CD PRO A 174 8.324 2.615 1.687 1.00 15.00 C ATOM 0 HA PRO A 174 9.946 5.182 0.781 1.00 15.00 H new ATOM 0 HB2 PRO A 174 7.729 3.866 -0.823 1.00 15.00 H new ATOM 0 HB3 PRO A 174 9.448 3.873 -1.166 1.00 15.00 H new ATOM 0 HG2 PRO A 174 8.291 1.662 -0.235 1.00 15.00 H new ATOM 0 HG3 PRO A 174 9.894 2.107 0.316 1.00 15.00 H new ATOM 0 HD2 PRO A 174 7.258 2.393 1.744 1.00 15.00 H new ATOM 0 HD3 PRO A 174 8.825 1.959 2.399 1.00 15.00 H new ATOM 78 N ALA A 175 8.564 7.011 -0.134 1.00 15.00 N ATOM 79 CA ALA A 175 7.857 8.272 -0.309 1.00 15.00 C ATOM 80 C ALA A 175 6.996 8.248 -1.565 1.00 15.00 C ATOM 81 O ALA A 175 7.427 7.793 -2.624 1.00 15.00 O ATOM 82 CB ALA A 175 8.842 9.430 -0.364 1.00 15.00 C ATOM 0 H ALA A 175 9.483 6.979 -0.575 1.00 15.00 H new ATOM 0 HA ALA A 175 7.199 8.412 0.549 1.00 15.00 H new ATOM 0 HB1 ALA A 175 8.297 10.365 -0.495 1.00 15.00 H new ATOM 0 HB2 ALA A 175 9.411 9.468 0.565 1.00 15.00 H new ATOM 0 HB3 ALA A 175 9.525 9.287 -1.202 1.00 15.00 H new ATOM 88 N GLY A 176 5.774 8.747 -1.429 1.00 15.00 N ATOM 89 CA GLY A 176 4.810 8.694 -2.511 1.00 15.00 C ATOM 90 C GLY A 176 3.991 7.424 -2.450 1.00 15.00 C ATOM 91 O GLY A 176 3.295 7.064 -3.404 1.00 15.00 O ATOM 0 H GLY A 176 5.431 9.192 -0.578 1.00 15.00 H new ATOM 0 HA2 GLY A 176 4.149 9.559 -2.456 1.00 15.00 H new ATOM 0 HA3 GLY A 176 5.329 8.750 -3.468 1.00 15.00 H new ATOM 95 N TRP A 177 4.061 6.759 -1.304 1.00 15.00 N ATOM 96 CA TRP A 177 3.395 5.483 -1.106 1.00 15.00 C ATOM 97 C TRP A 177 2.444 5.547 0.083 1.00 15.00 C ATOM 98 O TRP A 177 2.699 6.253 1.063 1.00 15.00 O ATOM 99 CB TRP A 177 4.432 4.377 -0.876 1.00 15.00 C ATOM 100 CG TRP A 177 5.263 4.058 -2.082 1.00 15.00 C ATOM 101 CD1 TRP A 177 6.309 4.779 -2.574 1.00 15.00 C ATOM 102 CD2 TRP A 177 5.128 2.916 -2.935 1.00 15.00 C ATOM 103 NE1 TRP A 177 6.821 4.169 -3.693 1.00 15.00 N ATOM 104 CE2 TRP A 177 6.114 3.021 -3.933 1.00 15.00 C ATOM 105 CE3 TRP A 177 4.266 1.820 -2.952 1.00 15.00 C ATOM 106 CZ2 TRP A 177 6.258 2.067 -4.938 1.00 15.00 C ATOM 107 CZ3 TRP A 177 4.413 0.875 -3.946 1.00 15.00 C ATOM 108 CH2 TRP A 177 5.402 1.003 -4.927 1.00 15.00 C ATOM 0 H TRP A 177 4.579 7.089 -0.490 1.00 15.00 H new ATOM 0 HA TRP A 177 2.818 5.258 -2.003 1.00 15.00 H new ATOM 0 HB2 TRP A 177 5.092 4.676 -0.062 1.00 15.00 H new ATOM 0 HB3 TRP A 177 3.917 3.472 -0.553 1.00 15.00 H new ATOM 0 HD1 TRP A 177 6.682 5.698 -2.146 1.00 15.00 H new ATOM 0 HE1 TRP A 177 7.600 4.514 -4.253 1.00 15.00 H new ATOM 0 HE3 TRP A 177 3.497 1.713 -2.201 1.00 15.00 H new ATOM 0 HZ2 TRP A 177 7.019 2.165 -5.698 1.00 15.00 H new ATOM 0 HZ3 TRP A 177 3.753 0.021 -3.967 1.00 15.00 H new ATOM 0 HH2 TRP A 177 5.490 0.245 -5.691 1.00 15.00 H new ATOM 119 N GLU A 178 1.354 4.802 -0.004 1.00 15.00 N ATOM 120 CA GLU A 178 0.419 4.681 1.102 1.00 15.00 C ATOM 121 C GLU A 178 0.727 3.405 1.864 1.00 15.00 C ATOM 122 O GLU A 178 0.722 2.318 1.284 1.00 15.00 O ATOM 123 CB GLU A 178 -1.023 4.655 0.597 1.00 15.00 C ATOM 124 CG GLU A 178 -2.048 4.931 1.682 1.00 15.00 C ATOM 125 CD GLU A 178 -1.813 6.268 2.350 1.00 15.00 C ATOM 126 OE1 GLU A 178 -1.009 6.328 3.304 1.00 15.00 O ATOM 127 OE2 GLU A 178 -2.413 7.265 1.900 1.00 15.00 O1- ATOM 0 H GLU A 178 1.094 4.269 -0.834 1.00 15.00 H new ATOM 0 HA GLU A 178 0.528 5.544 1.759 1.00 15.00 H new ATOM 0 HB2 GLU A 178 -1.136 5.395 -0.195 1.00 15.00 H new ATOM 0 HB3 GLU A 178 -1.227 3.680 0.154 1.00 15.00 H new ATOM 0 HG2 GLU A 178 -3.049 4.911 1.250 1.00 15.00 H new ATOM 0 HG3 GLU A 178 -2.008 4.139 2.430 1.00 15.00 H new ATOM 134 N MET A 179 0.983 3.534 3.154 1.00 15.00 N ATOM 135 CA MET A 179 1.505 2.424 3.937 1.00 15.00 C ATOM 136 C MET A 179 0.470 1.935 4.940 1.00 15.00 C ATOM 137 O MET A 179 0.136 2.658 5.882 1.00 15.00 O ATOM 138 CB MET A 179 2.763 2.862 4.702 1.00 15.00 C ATOM 139 CG MET A 179 3.558 3.971 4.022 1.00 15.00 C ATOM 140 SD MET A 179 4.139 3.527 2.374 1.00 15.00 S ATOM 141 CE MET A 179 5.197 2.137 2.742 1.00 15.00 C ATOM 0 H MET A 179 0.839 4.394 3.682 1.00 15.00 H new ATOM 0 HA MET A 179 1.750 1.615 3.248 1.00 15.00 H new ATOM 0 HB2 MET A 179 2.470 3.199 5.696 1.00 15.00 H new ATOM 0 HB3 MET A 179 3.412 1.996 4.837 1.00 15.00 H new ATOM 0 HG2 MET A 179 2.936 4.863 3.952 1.00 15.00 H new ATOM 0 HG3 MET A 179 4.415 4.228 4.645 1.00 15.00 H new ATOM 0 HE1 MET A 179 5.516 1.667 1.812 1.00 15.00 H new ATOM 0 HE2 MET A 179 6.072 2.482 3.293 1.00 15.00 H new ATOM 0 HE3 MET A 179 4.650 1.413 3.346 1.00 15.00 H new ATOM 151 N ALA A 180 -0.058 0.729 4.748 1.00 15.00 N ATOM 152 CA ALA A 180 -0.945 0.153 5.750 1.00 15.00 C ATOM 153 C ALA A 180 -0.807 -1.356 5.817 1.00 15.00 C ATOM 154 O ALA A 180 -0.673 -2.031 4.794 1.00 15.00 O ATOM 155 CB ALA A 180 -2.388 0.547 5.498 1.00 15.00 C ATOM 0 H ALA A 180 0.108 0.145 3.928 1.00 15.00 H new ATOM 0 HA ALA A 180 -0.645 0.558 6.716 1.00 15.00 H new ATOM 0 HB1 ALA A 180 -3.025 0.102 6.262 1.00 15.00 H new ATOM 0 HB2 ALA A 180 -2.481 1.632 5.535 1.00 15.00 H new ATOM 0 HB3 ALA A 180 -2.696 0.190 4.515 1.00 15.00 H new ATOM 161 N LYS A 181 -0.834 -1.873 7.032 1.00 15.00 N ATOM 162 CA LYS A 181 -0.676 -3.296 7.269 1.00 15.00 C ATOM 163 C LYS A 181 -1.803 -3.787 8.169 1.00 15.00 C ATOM 164 O LYS A 181 -1.824 -3.494 9.361 1.00 15.00 O ATOM 165 CB LYS A 181 0.682 -3.569 7.924 1.00 15.00 C ATOM 166 CG LYS A 181 1.855 -2.966 7.161 1.00 15.00 C ATOM 167 CD LYS A 181 3.122 -2.950 8.000 1.00 15.00 C ATOM 168 CE LYS A 181 4.280 -2.327 7.237 1.00 15.00 C ATOM 169 NZ LYS A 181 5.467 -2.116 8.104 1.00 15.00 N1+ ATOM 0 H LYS A 181 -0.966 -1.320 7.879 1.00 15.00 H new ATOM 0 HA LYS A 181 -0.718 -3.829 6.319 1.00 15.00 H new ATOM 0 HB2 LYS A 181 0.674 -3.170 8.938 1.00 15.00 H new ATOM 0 HB3 LYS A 181 0.827 -4.646 8.006 1.00 15.00 H new ATOM 0 HG2 LYS A 181 2.029 -3.538 6.250 1.00 15.00 H new ATOM 0 HG3 LYS A 181 1.607 -1.949 6.857 1.00 15.00 H new ATOM 0 HD2 LYS A 181 2.946 -2.390 8.919 1.00 15.00 H new ATOM 0 HD3 LYS A 181 3.381 -3.968 8.291 1.00 15.00 H new ATOM 0 HE2 LYS A 181 4.552 -2.971 6.401 1.00 15.00 H new ATOM 0 HE3 LYS A 181 3.965 -1.373 6.815 1.00 15.00 H new ATOM 0 HZ1 LYS A 181 6.234 -1.690 7.545 1.00 15.00 H new ATOM 0 HZ2 LYS A 181 5.216 -1.481 8.888 1.00 15.00 H new ATOM 0 HZ3 LYS A 181 5.784 -3.030 8.487 1.00 15.00 H new ATOM 183 N THR A 182 -2.759 -4.498 7.591 1.00 15.00 N ATOM 184 CA THR A 182 -3.913 -4.950 8.349 1.00 15.00 C ATOM 185 C THR A 182 -3.694 -6.350 8.917 1.00 15.00 C ATOM 186 O THR A 182 -2.998 -7.180 8.317 1.00 15.00 O ATOM 187 CB THR A 182 -5.219 -4.882 7.513 1.00 15.00 C ATOM 188 OG1 THR A 182 -6.257 -5.645 8.144 1.00 15.00 O ATOM 189 CG2 THR A 182 -5.014 -5.365 6.083 1.00 15.00 C ATOM 0 H THR A 182 -2.759 -4.772 6.608 1.00 15.00 H new ATOM 0 HA THR A 182 -4.031 -4.265 9.188 1.00 15.00 H new ATOM 0 HB THR A 182 -5.515 -3.834 7.466 1.00 15.00 H new ATOM 0 HG1 THR A 182 -7.102 -5.502 7.669 1.00 15.00 H new ATOM 0 HG21 THR A 182 -5.956 -5.299 5.538 1.00 15.00 H new ATOM 0 HG22 THR A 182 -4.266 -4.742 5.592 1.00 15.00 H new ATOM 0 HG23 THR A 182 -4.673 -6.400 6.094 1.00 15.00 H new ATOM 197 N SER A 183 -4.306 -6.596 10.077 1.00 15.00 N ATOM 198 CA SER A 183 -4.137 -7.839 10.831 1.00 15.00 C ATOM 199 C SER A 183 -4.577 -9.061 10.026 1.00 15.00 C ATOM 200 O SER A 183 -4.280 -10.200 10.391 1.00 15.00 O ATOM 201 CB SER A 183 -4.938 -7.756 12.127 1.00 15.00 C ATOM 202 OG SER A 183 -4.752 -6.498 12.755 1.00 15.00 O ATOM 0 H SER A 183 -4.939 -5.932 10.523 1.00 15.00 H new ATOM 0 HA SER A 183 -3.076 -7.958 11.051 1.00 15.00 H new ATOM 0 HB2 SER A 183 -5.996 -7.909 11.916 1.00 15.00 H new ATOM 0 HB3 SER A 183 -4.629 -8.554 12.802 1.00 15.00 H new ATOM 0 HG SER A 183 -5.275 -6.465 13.583 1.00 15.00 H new ATOM 208 N SER A 184 -5.306 -8.810 8.945 1.00 15.00 N ATOM 209 CA SER A 184 -5.732 -9.852 8.019 1.00 15.00 C ATOM 210 C SER A 184 -4.525 -10.566 7.398 1.00 15.00 C ATOM 211 O SER A 184 -4.662 -11.620 6.779 1.00 15.00 O ATOM 212 CB SER A 184 -6.603 -9.236 6.928 1.00 15.00 C ATOM 213 OG SER A 184 -7.519 -8.308 7.486 1.00 15.00 O ATOM 0 H SER A 184 -5.619 -7.875 8.685 1.00 15.00 H new ATOM 0 HA SER A 184 -6.310 -10.594 8.570 1.00 15.00 H new ATOM 0 HB2 SER A 184 -5.974 -8.736 6.191 1.00 15.00 H new ATOM 0 HB3 SER A 184 -7.147 -10.021 6.403 1.00 15.00 H new ATOM 0 HG SER A 184 -7.095 -7.426 7.547 1.00 15.00 H new ATOM 219 N GLY A 185 -3.349 -9.960 7.544 1.00 15.00 N ATOM 220 CA GLY A 185 -2.147 -10.501 6.946 1.00 15.00 C ATOM 221 C GLY A 185 -1.934 -9.949 5.559 1.00 15.00 C ATOM 222 O GLY A 185 -1.322 -10.590 4.702 1.00 15.00 O ATOM 0 H GLY A 185 -3.210 -9.098 8.071 1.00 15.00 H new ATOM 0 HA2 GLY A 185 -1.287 -10.262 7.572 1.00 15.00 H new ATOM 0 HA3 GLY A 185 -2.217 -11.588 6.901 1.00 15.00 H new ATOM 226 N GLN A 186 -2.444 -8.745 5.343 1.00 15.00 N ATOM 227 CA GLN A 186 -2.322 -8.084 4.058 1.00 15.00 C ATOM 228 C GLN A 186 -1.482 -6.827 4.195 1.00 15.00 C ATOM 229 O GLN A 186 -1.897 -5.859 4.836 1.00 15.00 O ATOM 230 CB GLN A 186 -3.704 -7.723 3.506 1.00 15.00 C ATOM 231 CG GLN A 186 -4.632 -8.915 3.368 1.00 15.00 C ATOM 232 CD GLN A 186 -6.013 -8.530 2.884 1.00 15.00 C ATOM 233 OE1 GLN A 186 -6.888 -8.180 3.672 1.00 15.00 O ATOM 234 NE2 GLN A 186 -6.225 -8.618 1.584 1.00 15.00 N ATOM 0 H GLN A 186 -2.948 -8.206 6.047 1.00 15.00 H new ATOM 0 HA GLN A 186 -1.834 -8.769 3.364 1.00 15.00 H new ATOM 0 HB2 GLN A 186 -4.167 -6.986 4.162 1.00 15.00 H new ATOM 0 HB3 GLN A 186 -3.585 -7.251 2.531 1.00 15.00 H new ATOM 0 HG2 GLN A 186 -4.195 -9.631 2.672 1.00 15.00 H new ATOM 0 HG3 GLN A 186 -4.717 -9.417 4.332 1.00 15.00 H new ATOM 0 HE21 GLN A 186 -5.471 -8.913 0.963 1.00 15.00 H new ATOM 0 HE22 GLN A 186 -7.142 -8.391 1.200 1.00 15.00 H new ATOM 243 N ARG A 187 -0.286 -6.861 3.638 1.00 15.00 N ATOM 244 CA ARG A 187 0.558 -5.684 3.602 1.00 15.00 C ATOM 245 C ARG A 187 0.466 -5.035 2.225 1.00 15.00 C ATOM 246 O ARG A 187 1.083 -5.497 1.267 1.00 15.00 O ATOM 247 CB ARG A 187 2.014 -6.027 3.958 1.00 15.00 C ATOM 248 CG ARG A 187 2.612 -7.165 3.140 1.00 15.00 C ATOM 249 CD ARG A 187 4.005 -7.530 3.629 1.00 15.00 C ATOM 250 NE ARG A 187 4.958 -6.427 3.495 1.00 15.00 N ATOM 251 CZ ARG A 187 5.917 -6.164 4.386 1.00 15.00 C ATOM 252 NH1 ARG A 187 5.961 -6.828 5.533 1.00 15.00 N1+ ATOM 253 NH2 ARG A 187 6.811 -5.215 4.150 1.00 15.00 N ATOM 0 H ARG A 187 0.121 -7.690 3.205 1.00 15.00 H new ATOM 0 HA ARG A 187 0.205 -4.976 4.352 1.00 15.00 H new ATOM 0 HB2 ARG A 187 2.628 -5.137 3.822 1.00 15.00 H new ATOM 0 HB3 ARG A 187 2.064 -6.290 5.015 1.00 15.00 H new ATOM 0 HG2 ARG A 187 1.963 -8.039 3.201 1.00 15.00 H new ATOM 0 HG3 ARG A 187 2.658 -6.875 2.090 1.00 15.00 H new ATOM 0 HD2 ARG A 187 3.951 -7.833 4.675 1.00 15.00 H new ATOM 0 HD3 ARG A 187 4.369 -8.390 3.067 1.00 15.00 H new ATOM 0 HE ARG A 187 4.885 -5.825 2.675 1.00 15.00 H new ATOM 0 HH11 ARG A 187 5.261 -7.542 5.736 1.00 15.00 H new ATOM 0 HH12 ARG A 187 6.695 -6.625 6.212 1.00 15.00 H new ATOM 0 HH21 ARG A 187 6.770 -4.680 3.283 1.00 15.00 H new ATOM 0 HH22 ARG A 187 7.541 -5.020 4.836 1.00 15.00 H new ATOM 267 N TYR A 188 -0.352 -4.000 2.106 1.00 15.00 N ATOM 268 CA TYR A 188 -0.546 -3.353 0.828 1.00 15.00 C ATOM 269 C TYR A 188 0.076 -1.964 0.845 1.00 15.00 C ATOM 270 O TYR A 188 0.037 -1.243 1.859 1.00 15.00 O ATOM 271 CB TYR A 188 -2.045 -3.306 0.460 1.00 15.00 C ATOM 272 CG TYR A 188 -2.911 -2.584 1.465 1.00 15.00 C ATOM 273 CD1 TYR A 188 -2.835 -1.207 1.624 1.00 15.00 C ATOM 274 CD2 TYR A 188 -3.802 -3.287 2.260 1.00 15.00 C ATOM 275 CE1 TYR A 188 -3.611 -0.553 2.550 1.00 15.00 C ATOM 276 CE2 TYR A 188 -4.591 -2.636 3.192 1.00 15.00 C ATOM 277 CZ TYR A 188 -4.488 -1.273 3.336 1.00 15.00 C ATOM 278 OH TYR A 188 -5.269 -0.625 4.265 1.00 15.00 O ATOM 0 H TYR A 188 -0.886 -3.596 2.876 1.00 15.00 H new ATOM 0 HA TYR A 188 -0.043 -3.935 0.056 1.00 15.00 H new ATOM 0 HB2 TYR A 188 -2.154 -2.821 -0.510 1.00 15.00 H new ATOM 0 HB3 TYR A 188 -2.412 -4.326 0.349 1.00 15.00 H new ATOM 0 HD1 TYR A 188 -2.153 -0.639 1.008 1.00 15.00 H new ATOM 0 HD2 TYR A 188 -3.882 -4.358 2.151 1.00 15.00 H new ATOM 0 HE1 TYR A 188 -3.535 0.518 2.662 1.00 15.00 H new ATOM 0 HE2 TYR A 188 -5.284 -3.196 3.803 1.00 15.00 H new ATOM 0 HH TYR A 188 -5.117 -1.016 5.150 1.00 15.00 H new ATOM 288 N PHE A 189 0.665 -1.607 -0.276 1.00 15.00 N ATOM 289 CA PHE A 189 1.301 -0.318 -0.426 1.00 15.00 C ATOM 290 C PHE A 189 0.762 0.359 -1.678 1.00 15.00 C ATOM 291 O PHE A 189 0.818 -0.203 -2.772 1.00 15.00 O ATOM 292 CB PHE A 189 2.824 -0.490 -0.503 1.00 15.00 C ATOM 293 CG PHE A 189 3.407 -1.251 0.662 1.00 15.00 C ATOM 294 CD1 PHE A 189 3.769 -0.594 1.826 1.00 15.00 C ATOM 295 CD2 PHE A 189 3.586 -2.626 0.595 1.00 15.00 C ATOM 296 CE1 PHE A 189 4.296 -1.286 2.898 1.00 15.00 C ATOM 297 CE2 PHE A 189 4.113 -3.323 1.667 1.00 15.00 C ATOM 298 CZ PHE A 189 4.466 -2.651 2.820 1.00 15.00 C ATOM 0 H PHE A 189 0.716 -2.200 -1.105 1.00 15.00 H new ATOM 0 HA PHE A 189 1.079 0.310 0.437 1.00 15.00 H new ATOM 0 HB2 PHE A 189 3.076 -1.009 -1.428 1.00 15.00 H new ATOM 0 HB3 PHE A 189 3.290 0.494 -0.553 1.00 15.00 H new ATOM 0 HD1 PHE A 189 3.637 0.476 1.896 1.00 15.00 H new ATOM 0 HD2 PHE A 189 3.311 -3.157 -0.304 1.00 15.00 H new ATOM 0 HE1 PHE A 189 4.575 -0.757 3.798 1.00 15.00 H new ATOM 0 HE2 PHE A 189 4.248 -4.393 1.602 1.00 15.00 H new ATOM 0 HZ PHE A 189 4.875 -3.194 3.659 1.00 15.00 H new ATOM 308 N LEU A 190 0.220 1.552 -1.514 1.00 15.00 N ATOM 309 CA LEU A 190 -0.363 2.284 -2.632 1.00 15.00 C ATOM 310 C LEU A 190 0.680 3.159 -3.306 1.00 15.00 C ATOM 311 O LEU A 190 1.451 3.826 -2.624 1.00 15.00 O ATOM 312 CB LEU A 190 -1.467 3.225 -2.156 1.00 15.00 C ATOM 313 CG LEU A 190 -2.894 2.694 -2.093 1.00 15.00 C ATOM 314 CD1 LEU A 190 -3.826 3.769 -2.627 1.00 15.00 C ATOM 315 CD2 LEU A 190 -3.059 1.395 -2.873 1.00 15.00 C ATOM 0 H LEU A 190 0.170 2.038 -0.619 1.00 15.00 H new ATOM 0 HA LEU A 190 -0.757 1.536 -3.320 1.00 15.00 H new ATOM 0 HB2 LEU A 190 -1.198 3.575 -1.159 1.00 15.00 H new ATOM 0 HB3 LEU A 190 -1.466 4.097 -2.811 1.00 15.00 H new ATOM 0 HG LEU A 190 -3.140 2.461 -1.057 1.00 15.00 H new ATOM 0 HD11 LEU A 190 -4.854 3.410 -2.591 1.00 15.00 H new ATOM 0 HD12 LEU A 190 -3.734 4.667 -2.016 1.00 15.00 H new ATOM 0 HD13 LEU A 190 -3.559 4.003 -3.658 1.00 15.00 H new ATOM 0 HD21 LEU A 190 -4.092 1.055 -2.799 1.00 15.00 H new ATOM 0 HD22 LEU A 190 -2.807 1.565 -3.920 1.00 15.00 H new ATOM 0 HD23 LEU A 190 -2.396 0.635 -2.459 1.00 15.00 H new ATOM 327 N ASN A 191 0.679 3.212 -4.627 1.00 15.00 N ATOM 328 CA ASN A 191 1.449 4.230 -5.309 1.00 15.00 C ATOM 329 C ASN A 191 0.558 5.440 -5.489 1.00 15.00 C ATOM 330 O ASN A 191 -0.286 5.452 -6.389 1.00 15.00 O ATOM 331 CB ASN A 191 1.949 3.787 -6.692 1.00 15.00 C ATOM 332 CG ASN A 191 2.727 2.489 -6.692 1.00 15.00 C ATOM 333 OD1 ASN A 191 2.402 1.547 -5.974 1.00 15.00 O ATOM 334 ND2 ASN A 191 3.762 2.432 -7.516 1.00 15.00 N ATOM 0 H ASN A 191 0.164 2.575 -5.235 1.00 15.00 H new ATOM 0 HA ASN A 191 2.329 4.443 -4.702 1.00 15.00 H new ATOM 0 HB2 ASN A 191 1.092 3.682 -7.358 1.00 15.00 H new ATOM 0 HB3 ASN A 191 2.580 4.574 -7.106 1.00 15.00 H new ATOM 0 HD21 ASN A 191 4.324 1.582 -7.571 1.00 15.00 H new ATOM 0 HD22 ASN A 191 3.998 3.238 -8.095 1.00 15.00 H new ATOM 341 N HIS A 192 0.709 6.438 -4.612 1.00 15.00 N ATOM 342 CA HIS A 192 -0.094 7.662 -4.701 1.00 15.00 C ATOM 343 C HIS A 192 0.319 8.471 -5.927 1.00 15.00 C ATOM 344 O HIS A 192 -0.292 9.482 -6.260 1.00 15.00 O ATOM 345 CB HIS A 192 0.041 8.529 -3.440 1.00 15.00 C ATOM 346 CG HIS A 192 -1.039 8.311 -2.413 1.00 15.00 C ATOM 347 ND1 HIS A 192 -2.287 8.901 -2.481 1.00 15.00 N ATOM 348 CD2 HIS A 192 -1.039 7.588 -1.269 1.00 15.00 C ATOM 349 CE1 HIS A 192 -2.997 8.550 -1.426 1.00 15.00 C ATOM 350 NE2 HIS A 192 -2.268 7.756 -0.671 1.00 15.00 N ATOM 0 H HIS A 192 1.374 6.423 -3.839 1.00 15.00 H new ATOM 0 HA HIS A 192 -1.138 7.362 -4.791 1.00 15.00 H new ATOM 0 HB2 HIS A 192 1.008 8.329 -2.979 1.00 15.00 H new ATOM 0 HB3 HIS A 192 0.038 9.579 -3.734 1.00 15.00 H new ATOM 0 HD2 HIS A 192 -0.223 6.988 -0.893 1.00 15.00 H new ATOM 0 HE1 HIS A 192 -4.009 8.863 -1.217 1.00 15.00 H new ATOM 0 HE2 HIS A 192 -2.564 7.335 0.210 1.00 15.00 H new ATOM 359 N ILE A 193 1.379 8.022 -6.581 1.00 15.00 N ATOM 360 CA ILE A 193 1.855 8.648 -7.801 1.00 15.00 C ATOM 361 C ILE A 193 1.276 7.930 -9.018 1.00 15.00 C ATOM 362 O ILE A 193 0.718 8.557 -9.919 1.00 15.00 O ATOM 363 CB ILE A 193 3.399 8.609 -7.876 1.00 15.00 C ATOM 364 CG1 ILE A 193 4.007 9.238 -6.618 1.00 15.00 C ATOM 365 CG2 ILE A 193 3.895 9.322 -9.127 1.00 15.00 C ATOM 366 CD1 ILE A 193 5.515 9.126 -6.546 1.00 15.00 C ATOM 0 H ILE A 193 1.930 7.217 -6.282 1.00 15.00 H new ATOM 0 HA ILE A 193 1.528 9.688 -7.795 1.00 15.00 H new ATOM 0 HB ILE A 193 3.717 7.568 -7.931 1.00 15.00 H new ATOM 0 HG12 ILE A 193 3.728 10.291 -6.579 1.00 15.00 H new ATOM 0 HG13 ILE A 193 3.574 8.760 -5.739 1.00 15.00 H new ATOM 0 HG21 ILE A 193 4.984 9.283 -9.160 1.00 15.00 H new ATOM 0 HG22 ILE A 193 3.487 8.832 -10.011 1.00 15.00 H new ATOM 0 HG23 ILE A 193 3.570 10.362 -9.106 1.00 15.00 H new ATOM 0 HD11 ILE A 193 5.871 9.594 -5.628 1.00 15.00 H new ATOM 0 HD12 ILE A 193 5.802 8.075 -6.553 1.00 15.00 H new ATOM 0 HD13 ILE A 193 5.959 9.629 -7.405 1.00 15.00 H new ATOM 378 N ASP A 194 1.387 6.606 -9.012 1.00 15.00 N ATOM 379 CA ASP A 194 0.990 5.784 -10.155 1.00 15.00 C ATOM 380 C ASP A 194 -0.506 5.490 -10.158 1.00 15.00 C ATOM 381 O ASP A 194 -1.037 5.018 -11.164 1.00 15.00 O ATOM 382 CB ASP A 194 1.748 4.454 -10.151 1.00 15.00 C ATOM 383 CG ASP A 194 3.250 4.609 -10.260 1.00 15.00 C ATOM 384 OD1 ASP A 194 3.913 4.764 -9.212 1.00 15.00 O1- ATOM 385 OD2 ASP A 194 3.779 4.546 -11.390 1.00 15.00 O ATOM 0 H ASP A 194 1.752 6.073 -8.222 1.00 15.00 H new ATOM 0 HA ASP A 194 1.236 6.356 -11.050 1.00 15.00 H new ATOM 0 HB2 ASP A 194 1.513 3.915 -9.233 1.00 15.00 H new ATOM 0 HB3 ASP A 194 1.394 3.842 -10.980 1.00 15.00 H new ATOM 390 N GLN A 195 -1.166 5.727 -9.020 1.00 15.00 N ATOM 391 CA GLN A 195 -2.590 5.406 -8.856 1.00 15.00 C ATOM 392 C GLN A 195 -2.774 3.890 -8.832 1.00 15.00 C ATOM 393 O GLN A 195 -3.844 3.361 -9.125 1.00 15.00 O ATOM 394 CB GLN A 195 -3.421 6.051 -9.985 1.00 15.00 C ATOM 395 CG GLN A 195 -4.928 5.888 -9.830 1.00 15.00 C ATOM 396 CD GLN A 195 -5.713 6.498 -10.970 1.00 15.00 C ATOM 397 OE1 GLN A 195 -5.285 7.472 -11.585 1.00 15.00 O ATOM 398 NE2 GLN A 195 -6.876 5.935 -11.245 1.00 15.00 N ATOM 0 H GLN A 195 -0.735 6.142 -8.194 1.00 15.00 H new ATOM 0 HA GLN A 195 -2.945 5.813 -7.909 1.00 15.00 H new ATOM 0 HB2 GLN A 195 -3.186 7.114 -10.031 1.00 15.00 H new ATOM 0 HB3 GLN A 195 -3.117 5.616 -10.937 1.00 15.00 H new ATOM 0 HG2 GLN A 195 -5.167 4.827 -9.760 1.00 15.00 H new ATOM 0 HG3 GLN A 195 -5.242 6.348 -8.893 1.00 15.00 H new ATOM 0 HE21 GLN A 195 -7.191 5.127 -10.708 1.00 15.00 H new ATOM 0 HE22 GLN A 195 -7.459 6.308 -11.995 1.00 15.00 H new ATOM 407 N THR A 196 -1.739 3.193 -8.404 1.00 15.00 N ATOM 408 CA THR A 196 -1.756 1.743 -8.449 1.00 15.00 C ATOM 409 C THR A 196 -1.745 1.132 -7.056 1.00 15.00 C ATOM 410 O THR A 196 -1.200 1.708 -6.110 1.00 15.00 O ATOM 411 CB THR A 196 -0.567 1.185 -9.258 1.00 15.00 C ATOM 412 OG1 THR A 196 0.660 1.719 -8.756 1.00 15.00 O ATOM 413 CG2 THR A 196 -0.695 1.524 -10.734 1.00 15.00 C ATOM 0 H THR A 196 -0.884 3.601 -8.025 1.00 15.00 H new ATOM 0 HA THR A 196 -2.685 1.465 -8.946 1.00 15.00 H new ATOM 0 HB THR A 196 -0.571 0.100 -9.150 1.00 15.00 H new ATOM 0 HG1 THR A 196 1.410 1.358 -9.274 1.00 15.00 H new ATOM 0 HG21 THR A 196 0.158 1.117 -11.276 1.00 15.00 H new ATOM 0 HG22 THR A 196 -1.615 1.092 -11.128 1.00 15.00 H new ATOM 0 HG23 THR A 196 -0.720 2.607 -10.858 1.00 15.00 H new ATOM 421 N THR A 197 -2.354 -0.035 -6.942 1.00 15.00 N ATOM 422 CA THR A 197 -2.400 -0.763 -5.690 1.00 15.00 C ATOM 423 C THR A 197 -1.412 -1.927 -5.722 1.00 15.00 C ATOM 424 O THR A 197 -1.543 -2.843 -6.537 1.00 15.00 O ATOM 425 CB THR A 197 -3.816 -1.292 -5.429 1.00 15.00 C ATOM 426 OG1 THR A 197 -4.771 -0.235 -5.609 1.00 15.00 O ATOM 427 CG2 THR A 197 -3.934 -1.852 -4.020 1.00 15.00 C ATOM 0 H THR A 197 -2.829 -0.502 -7.714 1.00 15.00 H new ATOM 0 HA THR A 197 -2.125 -0.082 -4.885 1.00 15.00 H new ATOM 0 HB THR A 197 -4.019 -2.094 -6.139 1.00 15.00 H new ATOM 0 HG1 THR A 197 -5.674 -0.578 -5.443 1.00 15.00 H new ATOM 0 HG21 THR A 197 -4.947 -2.221 -3.859 1.00 15.00 H new ATOM 0 HG22 THR A 197 -3.225 -2.670 -3.893 1.00 15.00 H new ATOM 0 HG23 THR A 197 -3.715 -1.067 -3.297 1.00 15.00 H new ATOM 435 N THR A 198 -0.434 -1.887 -4.834 1.00 15.00 N ATOM 436 CA THR A 198 0.663 -2.841 -4.858 1.00 15.00 C ATOM 437 C THR A 198 0.576 -3.852 -3.697 1.00 15.00 C ATOM 438 O THR A 198 0.566 -3.459 -2.529 1.00 15.00 O ATOM 439 CB THR A 198 1.998 -2.070 -4.788 1.00 15.00 C ATOM 440 OG1 THR A 198 2.112 -1.197 -5.920 1.00 15.00 O ATOM 441 CG2 THR A 198 3.191 -3.006 -4.748 1.00 15.00 C ATOM 0 H THR A 198 -0.377 -1.200 -4.082 1.00 15.00 H new ATOM 0 HA THR A 198 0.601 -3.410 -5.786 1.00 15.00 H new ATOM 0 HB THR A 198 1.997 -1.490 -3.865 1.00 15.00 H new ATOM 0 HG1 THR A 198 2.186 -0.270 -5.612 1.00 15.00 H new ATOM 0 HG21 THR A 198 4.110 -2.422 -4.699 1.00 15.00 H new ATOM 0 HG22 THR A 198 3.121 -3.647 -3.869 1.00 15.00 H new ATOM 0 HG23 THR A 198 3.200 -3.622 -5.647 1.00 15.00 H new ATOM 449 N TRP A 199 0.489 -5.151 -4.026 1.00 15.00 N ATOM 450 CA TRP A 199 0.572 -6.209 -3.014 1.00 15.00 C ATOM 451 C TRP A 199 2.031 -6.500 -2.649 1.00 15.00 C ATOM 452 O TRP A 199 2.326 -7.006 -1.564 1.00 15.00 O ATOM 453 CB TRP A 199 -0.025 -7.529 -3.515 1.00 15.00 C ATOM 454 CG TRP A 199 -1.518 -7.679 -3.482 1.00 15.00 C ATOM 455 CD1 TRP A 199 -2.307 -8.039 -4.535 1.00 15.00 C ATOM 456 CD2 TRP A 199 -2.412 -7.500 -2.370 1.00 15.00 C ATOM 457 NE1 TRP A 199 -3.604 -8.175 -4.141 1.00 15.00 N ATOM 458 CE2 TRP A 199 -3.697 -7.843 -2.830 1.00 15.00 C ATOM 459 CE3 TRP A 199 -2.271 -7.107 -1.030 1.00 15.00 C ATOM 460 CZ2 TRP A 199 -4.806 -7.821 -2.017 1.00 15.00 C ATOM 461 CZ3 TRP A 199 -3.411 -7.057 -0.238 1.00 15.00 C ATOM 462 CH2 TRP A 199 -4.659 -7.430 -0.756 1.00 15.00 C ATOM 0 H TRP A 199 0.362 -5.489 -4.980 1.00 15.00 H new ATOM 0 HA TRP A 199 0.012 -5.844 -2.153 1.00 15.00 H new ATOM 0 HB2 TRP A 199 0.304 -7.676 -4.544 1.00 15.00 H new ATOM 0 HB3 TRP A 199 0.406 -8.337 -2.924 1.00 15.00 H new ATOM 0 HD1 TRP A 199 -1.952 -8.195 -5.543 1.00 15.00 H new ATOM 0 HE1 TRP A 199 -4.377 -8.477 -4.734 1.00 15.00 H new ATOM 0 HE3 TRP A 199 -1.303 -6.851 -0.626 1.00 15.00 H new ATOM 0 HZ2 TRP A 199 -5.774 -8.115 -2.395 1.00 15.00 H new ATOM 0 HZ3 TRP A 199 -3.335 -6.727 0.788 1.00 15.00 H new ATOM 0 HH2 TRP A 199 -5.525 -7.399 -0.112 1.00 15.00 H new ATOM 473 N GLN A 200 2.935 -6.222 -3.581 1.00 15.00 N ATOM 474 CA GLN A 200 4.332 -6.621 -3.438 1.00 15.00 C ATOM 475 C GLN A 200 5.145 -5.544 -2.739 1.00 15.00 C ATOM 476 O GLN A 200 5.277 -4.435 -3.242 1.00 15.00 O ATOM 477 CB GLN A 200 4.958 -6.937 -4.803 1.00 15.00 C ATOM 478 CG GLN A 200 4.522 -8.275 -5.390 1.00 15.00 C ATOM 479 CD GLN A 200 3.104 -8.274 -5.935 1.00 15.00 C ATOM 480 OE1 GLN A 200 2.406 -9.286 -5.867 1.00 15.00 O ATOM 481 NE2 GLN A 200 2.678 -7.164 -6.523 1.00 15.00 N ATOM 0 H GLN A 200 2.726 -5.721 -4.445 1.00 15.00 H new ATOM 0 HA GLN A 200 4.348 -7.522 -2.825 1.00 15.00 H new ATOM 0 HB2 GLN A 200 4.698 -6.143 -5.503 1.00 15.00 H new ATOM 0 HB3 GLN A 200 6.043 -6.932 -4.703 1.00 15.00 H new ATOM 0 HG2 GLN A 200 5.208 -8.551 -6.191 1.00 15.00 H new ATOM 0 HG3 GLN A 200 4.605 -9.043 -4.621 1.00 15.00 H new ATOM 0 HE21 GLN A 200 3.282 -6.343 -6.562 1.00 15.00 H new ATOM 0 HE22 GLN A 200 1.746 -7.131 -6.936 1.00 15.00 H new ATOM 490 N ASP A 201 5.689 -5.896 -1.580 1.00 15.00 N ATOM 491 CA ASP A 201 6.457 -4.963 -0.757 1.00 15.00 C ATOM 492 C ASP A 201 7.591 -4.295 -1.539 1.00 15.00 C ATOM 493 O ASP A 201 8.582 -4.938 -1.898 1.00 15.00 O ATOM 494 CB ASP A 201 7.028 -5.683 0.463 1.00 15.00 C ATOM 495 CG ASP A 201 7.983 -4.809 1.245 1.00 15.00 C ATOM 496 OD1 ASP A 201 7.514 -3.888 1.941 1.00 15.00 O1- ATOM 497 OD2 ASP A 201 9.205 -5.043 1.160 1.00 15.00 O ATOM 0 H ASP A 201 5.612 -6.833 -1.183 1.00 15.00 H new ATOM 0 HA ASP A 201 5.771 -4.179 -0.437 1.00 15.00 H new ATOM 0 HB2 ASP A 201 6.211 -5.998 1.112 1.00 15.00 H new ATOM 0 HB3 ASP A 201 7.546 -6.587 0.141 1.00 15.00 H new ATOM 502 N PRO A 202 7.440 -2.990 -1.815 1.00 15.00 N ATOM 503 CA PRO A 202 8.441 -2.196 -2.538 1.00 15.00 C ATOM 504 C PRO A 202 9.661 -1.851 -1.694 1.00 15.00 C ATOM 505 O PRO A 202 10.679 -1.399 -2.214 1.00 15.00 O ATOM 506 CB PRO A 202 7.681 -0.920 -2.895 1.00 15.00 C ATOM 507 CG PRO A 202 6.662 -0.785 -1.819 1.00 15.00 C ATOM 508 CD PRO A 202 6.247 -2.188 -1.480 1.00 15.00 C ATOM 0 HA PRO A 202 8.839 -2.744 -3.392 1.00 15.00 H new ATOM 0 HB2 PRO A 202 8.345 -0.056 -2.924 1.00 15.00 H new ATOM 0 HB3 PRO A 202 7.215 -0.997 -3.877 1.00 15.00 H new ATOM 0 HG2 PRO A 202 7.076 -0.277 -0.948 1.00 15.00 H new ATOM 0 HG3 PRO A 202 5.810 -0.195 -2.157 1.00 15.00 H new ATOM 0 HD2 PRO A 202 5.981 -2.285 -0.427 1.00 15.00 H new ATOM 0 HD3 PRO A 202 5.378 -2.500 -2.059 1.00 15.00 H new ATOM 516 N ARG A 203 9.555 -2.020 -0.386 1.00 15.00 N ATOM 517 CA ARG A 203 10.636 -1.619 0.500 1.00 15.00 C ATOM 518 C ARG A 203 11.796 -2.605 0.415 1.00 15.00 C ATOM 519 O ARG A 203 12.954 -2.248 0.642 1.00 15.00 O ATOM 520 CB ARG A 203 10.142 -1.487 1.940 1.00 15.00 C ATOM 521 CG ARG A 203 11.118 -0.749 2.836 1.00 15.00 C ATOM 522 CD ARG A 203 11.437 0.621 2.269 1.00 15.00 C ATOM 523 NE ARG A 203 12.636 1.206 2.865 1.00 15.00 N ATOM 524 CZ ARG A 203 13.250 2.286 2.378 1.00 15.00 C ATOM 525 NH1 ARG A 203 12.746 2.917 1.323 1.00 15.00 N1+ ATOM 526 NH2 ARG A 203 14.365 2.736 2.940 1.00 15.00 N ATOM 0 H ARG A 203 8.744 -2.426 0.081 1.00 15.00 H new ATOM 0 HA ARG A 203 10.994 -0.642 0.176 1.00 15.00 H new ATOM 0 HB2 ARG A 203 9.186 -0.963 1.944 1.00 15.00 H new ATOM 0 HB3 ARG A 203 9.962 -2.481 2.349 1.00 15.00 H new ATOM 0 HG2 ARG A 203 10.695 -0.645 3.835 1.00 15.00 H new ATOM 0 HG3 ARG A 203 12.036 -1.329 2.938 1.00 15.00 H new ATOM 0 HD2 ARG A 203 11.572 0.542 1.190 1.00 15.00 H new ATOM 0 HD3 ARG A 203 10.590 1.286 2.436 1.00 15.00 H new ATOM 0 HE ARG A 203 13.025 0.765 3.699 1.00 15.00 H new ATOM 0 HH11 ARG A 203 11.890 2.576 0.886 1.00 15.00 H new ATOM 0 HH12 ARG A 203 13.215 3.743 0.950 1.00 15.00 H new ATOM 0 HH21 ARG A 203 14.758 2.256 3.749 1.00 15.00 H new ATOM 0 HH22 ARG A 203 14.829 3.562 2.562 1.00 15.00 H new ATOM 540 N LYS A 204 11.472 -3.848 0.111 1.00 15.00 N ATOM 541 CA LYS A 204 12.478 -4.876 -0.096 1.00 15.00 C ATOM 542 C LYS A 204 12.760 -5.050 -1.589 1.00 15.00 C ATOM 543 O LYS A 204 13.814 -5.555 -1.983 1.00 15.00 O ATOM 544 CB LYS A 204 12.004 -6.186 0.559 1.00 15.00 C ATOM 545 CG LYS A 204 12.797 -7.435 0.196 1.00 15.00 C ATOM 546 CD LYS A 204 12.217 -8.161 -1.017 1.00 15.00 C ATOM 547 CE LYS A 204 10.808 -8.690 -0.759 1.00 15.00 C ATOM 548 NZ LYS A 204 9.764 -7.633 -0.878 1.00 15.00 N1+ ATOM 0 H LYS A 204 10.512 -4.173 0.001 1.00 15.00 H new ATOM 0 HA LYS A 204 13.416 -4.580 0.374 1.00 15.00 H new ATOM 0 HB2 LYS A 204 12.035 -6.061 1.641 1.00 15.00 H new ATOM 0 HB3 LYS A 204 10.961 -6.349 0.287 1.00 15.00 H new ATOM 0 HG2 LYS A 204 13.831 -7.159 -0.010 1.00 15.00 H new ATOM 0 HG3 LYS A 204 12.812 -8.113 1.049 1.00 15.00 H new ATOM 0 HD2 LYS A 204 12.197 -7.481 -1.869 1.00 15.00 H new ATOM 0 HD3 LYS A 204 12.870 -8.991 -1.287 1.00 15.00 H new ATOM 0 HE2 LYS A 204 10.590 -9.491 -1.466 1.00 15.00 H new ATOM 0 HE3 LYS A 204 10.765 -9.126 0.239 1.00 15.00 H new ATOM 0 HZ1 LYS A 204 8.947 -8.009 -1.401 1.00 15.00 H new ATOM 0 HZ2 LYS A 204 9.461 -7.336 0.071 1.00 15.00 H new ATOM 0 HZ3 LYS A 204 10.155 -6.815 -1.388 1.00 15.00 H new ATOM 562 N ALA A 205 11.814 -4.622 -2.415 1.00 15.00 N ATOM 563 CA ALA A 205 11.931 -4.774 -3.858 1.00 15.00 C ATOM 564 C ALA A 205 12.061 -3.418 -4.539 1.00 15.00 C ATOM 565 O ALA A 205 11.021 -2.773 -4.789 1.00 15.00 O ATOM 566 CB ALA A 205 10.733 -5.529 -4.409 1.00 15.00 C ATOM 567 OXT ALA A 205 13.204 -3.009 -4.829 1.00 15.00 O ATOM 0 H ALA A 205 10.955 -4.166 -2.108 1.00 15.00 H new ATOM 0 HA ALA A 205 12.834 -5.348 -4.067 1.00 15.00 H new ATOM 0 HB1 ALA A 205 10.835 -5.635 -5.489 1.00 15.00 H new ATOM 0 HB2 ALA A 205 10.683 -6.517 -3.951 1.00 15.00 H new ATOM 0 HB3 ALA A 205 9.820 -4.978 -4.183 1.00 15.00 H new TER 573 ALA A 205 ATOM 574 N GLY B 204 -3.015 -16.066 -4.247 1.00 15.00 N ATOM 575 CA GLY B 204 -4.326 -15.685 -4.820 1.00 15.00 C ATOM 576 C GLY B 204 -5.048 -14.719 -3.915 1.00 15.00 C ATOM 577 O GLY B 204 -5.808 -15.125 -3.034 1.00 15.00 O ATOM 0 HA2 GLY B 204 -4.181 -15.232 -5.801 1.00 15.00 H new ATOM 0 HA3 GLY B 204 -4.936 -16.576 -4.968 1.00 15.00 H new ATOM 583 N GLU B 205 -4.810 -13.437 -4.124 1.00 15.00 N ATOM 584 CA GLU B 205 -5.294 -12.424 -3.205 1.00 15.00 C ATOM 585 C GLU B 205 -6.677 -11.949 -3.608 1.00 15.00 C ATOM 586 O GLU B 205 -7.020 -11.911 -4.790 1.00 15.00 O ATOM 587 CB GLU B 205 -4.337 -11.227 -3.157 1.00 15.00 C ATOM 588 CG GLU B 205 -2.862 -11.598 -3.035 1.00 15.00 C ATOM 589 CD GLU B 205 -2.618 -12.790 -2.131 1.00 15.00 C ATOM 590 OE1 GLU B 205 -2.756 -12.648 -0.900 1.00 15.00 O ATOM 591 OE2 GLU B 205 -2.270 -13.877 -2.650 1.00 15.00 O1- ATOM 0 H GLU B 205 -4.286 -13.074 -4.920 1.00 15.00 H new ATOM 0 HA GLU B 205 -5.346 -12.876 -2.214 1.00 15.00 H new ATOM 0 HB2 GLU B 205 -4.475 -10.632 -4.060 1.00 15.00 H new ATOM 0 HB3 GLU B 205 -4.610 -10.594 -2.313 1.00 15.00 H new ATOM 0 HG2 GLU B 205 -2.466 -11.815 -4.027 1.00 15.00 H new ATOM 0 HG3 GLU B 205 -2.309 -10.740 -2.652 1.00 15.00 H new ATOM 598 N SER B 206 -7.448 -11.559 -2.614 1.00 15.00 N ATOM 599 CA SER B 206 -8.758 -10.977 -2.829 1.00 15.00 C ATOM 600 C SER B 206 -8.579 -9.472 -2.959 1.00 15.00 C ATOM 601 O SER B 206 -7.658 -8.923 -2.356 1.00 15.00 O ATOM 602 CB SER B 206 -9.671 -11.322 -1.651 1.00 15.00 C ATOM 603 OG SER B 206 -9.627 -12.715 -1.377 1.00 15.00 O ATOM 0 H SER B 206 -7.184 -11.637 -1.632 1.00 15.00 H new ATOM 0 HA SER B 206 -9.220 -11.371 -3.734 1.00 15.00 H new ATOM 0 HB2 SER B 206 -9.362 -10.762 -0.768 1.00 15.00 H new ATOM 0 HB3 SER B 206 -10.694 -11.022 -1.877 1.00 15.00 H new ATOM 0 HG SER B 206 -10.215 -12.918 -0.620 1.00 15.00 H new ATOM 609 N PRO B 207 -9.448 -8.787 -3.726 1.00 15.00 N ATOM 610 CA PRO B 207 -9.241 -7.377 -4.089 1.00 15.00 C ATOM 611 C PRO B 207 -8.887 -6.501 -2.889 1.00 15.00 C ATOM 612 O PRO B 207 -9.534 -6.562 -1.838 1.00 15.00 O ATOM 613 CB PRO B 207 -10.597 -6.967 -4.670 1.00 15.00 C ATOM 614 CG PRO B 207 -11.173 -8.228 -5.209 1.00 15.00 C ATOM 615 CD PRO B 207 -10.696 -9.327 -4.301 1.00 15.00 C ATOM 0 HA PRO B 207 -8.404 -7.253 -4.777 1.00 15.00 H new ATOM 0 HB2 PRO B 207 -11.241 -6.533 -3.905 1.00 15.00 H new ATOM 0 HB3 PRO B 207 -10.482 -6.218 -5.453 1.00 15.00 H new ATOM 0 HG2 PRO B 207 -12.262 -8.182 -5.227 1.00 15.00 H new ATOM 0 HG3 PRO B 207 -10.844 -8.399 -6.234 1.00 15.00 H new ATOM 0 HD2 PRO B 207 -11.429 -9.553 -3.527 1.00 15.00 H new ATOM 0 HD3 PRO B 207 -10.517 -10.251 -4.850 1.00 15.00 H new ATOM 623 N PRO B 208 -7.855 -5.659 -3.050 1.00 15.00 N ATOM 624 CA PRO B 208 -7.246 -4.852 -2.005 1.00 15.00 C ATOM 625 C PRO B 208 -7.933 -3.481 -1.960 1.00 15.00 C ATOM 626 O PRO B 208 -8.865 -3.233 -2.730 1.00 15.00 O ATOM 627 CB PRO B 208 -5.763 -4.754 -2.505 1.00 15.00 C ATOM 628 CG PRO B 208 -5.776 -5.452 -3.841 1.00 15.00 C ATOM 629 CD PRO B 208 -7.183 -5.307 -4.281 1.00 15.00 C ATOM 0 HA PRO B 208 -7.325 -5.254 -0.995 1.00 15.00 H new ATOM 0 HB2 PRO B 208 -5.443 -3.716 -2.601 1.00 15.00 H new ATOM 0 HB3 PRO B 208 -5.076 -5.237 -1.810 1.00 15.00 H new ATOM 0 HG2 PRO B 208 -5.084 -4.989 -4.544 1.00 15.00 H new ATOM 0 HG3 PRO B 208 -5.487 -6.499 -3.752 1.00 15.00 H new ATOM 0 HD2 PRO B 208 -7.417 -4.295 -4.611 1.00 15.00 H new ATOM 0 HD3 PRO B 208 -7.436 -5.977 -5.103 1.00 15.00 H new ATOM 637 N PRO B 209 -7.504 -2.586 -1.063 1.00 15.00 N ATOM 638 CA PRO B 209 -8.089 -1.250 -0.926 1.00 15.00 C ATOM 639 C PRO B 209 -8.249 -0.502 -2.245 1.00 15.00 C ATOM 640 O PRO B 209 -7.374 -0.551 -3.117 1.00 15.00 O ATOM 641 CB PRO B 209 -7.043 -0.487 -0.125 1.00 15.00 C ATOM 642 CG PRO B 209 -6.156 -1.493 0.514 1.00 15.00 C ATOM 643 CD PRO B 209 -6.478 -2.844 -0.051 1.00 15.00 C ATOM 0 HA PRO B 209 -9.084 -1.331 -0.488 1.00 15.00 H new ATOM 0 HB2 PRO B 209 -6.469 0.174 -0.774 1.00 15.00 H new ATOM 0 HB3 PRO B 209 -7.519 0.140 0.629 1.00 15.00 H new ATOM 0 HG2 PRO B 209 -5.110 -1.246 0.331 1.00 15.00 H new ATOM 0 HG3 PRO B 209 -6.299 -1.491 1.595 1.00 15.00 H new ATOM 0 HD2 PRO B 209 -5.596 -3.310 -0.490 1.00 15.00 H new ATOM 0 HD3 PRO B 209 -6.844 -3.520 0.722 1.00 15.00 H new ATOM 651 N PRO B 210 -9.373 0.211 -2.391 1.00 15.00 N ATOM 652 CA PRO B 210 -9.570 1.155 -3.486 1.00 15.00 C ATOM 653 C PRO B 210 -8.556 2.287 -3.391 1.00 15.00 C ATOM 654 O PRO B 210 -8.260 2.774 -2.298 1.00 15.00 O ATOM 655 CB PRO B 210 -10.990 1.690 -3.265 1.00 15.00 C ATOM 656 CG PRO B 210 -11.642 0.708 -2.355 1.00 15.00 C ATOM 657 CD PRO B 210 -10.543 0.147 -1.502 1.00 15.00 C ATOM 0 HA PRO B 210 -9.442 0.698 -4.467 1.00 15.00 H new ATOM 0 HB2 PRO B 210 -10.971 2.685 -2.821 1.00 15.00 H new ATOM 0 HB3 PRO B 210 -11.531 1.772 -4.208 1.00 15.00 H new ATOM 0 HG2 PRO B 210 -12.405 1.189 -1.743 1.00 15.00 H new ATOM 0 HG3 PRO B 210 -12.138 -0.080 -2.921 1.00 15.00 H new ATOM 0 HD2 PRO B 210 -10.395 0.735 -0.596 1.00 15.00 H new ATOM 0 HD3 PRO B 210 -10.757 -0.875 -1.188 1.00 15.00 H new ATOM 665 N TYR B 211 -8.051 2.717 -4.531 1.00 15.00 N ATOM 666 CA TYR B 211 -6.980 3.703 -4.577 1.00 15.00 C ATOM 667 C TYR B 211 -7.437 5.103 -4.139 1.00 15.00 C ATOM 668 O TYR B 211 -6.603 5.972 -3.889 1.00 15.00 O ATOM 669 CB TYR B 211 -6.336 3.763 -5.978 1.00 15.00 C ATOM 670 CG TYR B 211 -5.373 4.918 -6.117 1.00 15.00 C ATOM 671 CD1 TYR B 211 -4.075 4.813 -5.651 1.00 15.00 C ATOM 672 CD2 TYR B 211 -5.782 6.135 -6.655 1.00 15.00 C ATOM 673 CE1 TYR B 211 -3.208 5.881 -5.711 1.00 15.00 C ATOM 674 CE2 TYR B 211 -4.917 7.206 -6.728 1.00 15.00 C ATOM 675 CZ TYR B 211 -3.633 7.074 -6.251 1.00 15.00 C ATOM 676 OH TYR B 211 -2.775 8.144 -6.303 1.00 15.00 O ATOM 0 H TYR B 211 -8.366 2.398 -5.447 1.00 15.00 H new ATOM 0 HA TYR B 211 -6.231 3.371 -3.858 1.00 15.00 H new ATOM 0 HB2 TYR B 211 -5.810 2.829 -6.174 1.00 15.00 H new ATOM 0 HB3 TYR B 211 -7.118 3.852 -6.732 1.00 15.00 H new ATOM 0 HD1 TYR B 211 -3.736 3.877 -5.233 1.00 15.00 H new ATOM 0 HD2 TYR B 211 -6.793 6.242 -7.021 1.00 15.00 H new ATOM 0 HE1 TYR B 211 -2.200 5.783 -5.336 1.00 15.00 H new ATOM 0 HE2 TYR B 211 -5.245 8.142 -7.156 1.00 15.00 H new ATOM 0 HH TYR B 211 -3.230 8.908 -6.714 1.00 15.00 H new ATOM 686 N SER B 212 -8.738 5.309 -3.965 1.00 15.00 N ATOM 687 CA SER B 212 -9.306 6.650 -4.069 1.00 15.00 C ATOM 688 C SER B 212 -8.676 7.625 -3.070 1.00 15.00 C ATOM 689 O SER B 212 -7.950 8.527 -3.495 1.00 15.00 O ATOM 690 CB SER B 212 -10.817 6.569 -3.868 1.00 15.00 C ATOM 691 OG SER B 212 -11.386 5.613 -4.750 1.00 15.00 O ATOM 0 H SER B 212 -9.413 4.574 -3.754 1.00 15.00 H new ATOM 0 HA SER B 212 -9.086 7.039 -5.063 1.00 15.00 H new ATOM 0 HB2 SER B 212 -11.038 6.297 -2.836 1.00 15.00 H new ATOM 0 HB3 SER B 212 -11.266 7.547 -4.043 1.00 15.00 H new ATOM 0 HG SER B 212 -12.355 5.572 -4.607 1.00 15.00 H new ATOM 697 N ARG B 213 -8.924 7.507 -1.771 1.00 15.00 N ATOM 698 CA ARG B 213 -8.098 8.268 -0.838 1.00 15.00 C ATOM 699 C ARG B 213 -7.364 7.371 0.146 1.00 15.00 C ATOM 700 O ARG B 213 -6.148 7.194 0.057 1.00 15.00 O ATOM 701 CB ARG B 213 -8.927 9.294 -0.062 1.00 15.00 C ATOM 702 CG ARG B 213 -9.541 10.374 -0.934 1.00 15.00 C ATOM 703 CD ARG B 213 -8.473 11.140 -1.697 1.00 15.00 C ATOM 704 NE ARG B 213 -9.045 12.186 -2.539 1.00 15.00 N ATOM 705 CZ ARG B 213 -9.222 12.073 -3.853 1.00 15.00 C ATOM 706 NH1 ARG B 213 -8.873 10.955 -4.482 1.00 15.00 N1+ ATOM 707 NH2 ARG B 213 -9.744 13.079 -4.541 1.00 15.00 N ATOM 0 H ARG B 213 -9.650 6.925 -1.354 1.00 15.00 H new ATOM 0 HA ARG B 213 -7.359 8.789 -1.447 1.00 15.00 H new ATOM 0 HB2 ARG B 213 -9.723 8.775 0.471 1.00 15.00 H new ATOM 0 HB3 ARG B 213 -8.294 9.764 0.690 1.00 15.00 H new ATOM 0 HG2 ARG B 213 -10.241 9.923 -1.638 1.00 15.00 H new ATOM 0 HG3 ARG B 213 -10.113 11.064 -0.314 1.00 15.00 H new ATOM 0 HD2 ARG B 213 -7.773 11.586 -0.991 1.00 15.00 H new ATOM 0 HD3 ARG B 213 -7.903 10.447 -2.316 1.00 15.00 H new ATOM 0 HE ARG B 213 -9.327 13.059 -2.092 1.00 15.00 H new ATOM 0 HH11 ARG B 213 -8.468 10.180 -3.957 1.00 15.00 H new ATOM 0 HH12 ARG B 213 -9.010 10.872 -5.489 1.00 15.00 H new ATOM 0 HH21 ARG B 213 -10.010 13.940 -4.063 1.00 15.00 H new ATOM 0 HH22 ARG B 213 -9.879 12.992 -5.548 1.00 15.00 H new ATOM 721 N TYR B 214 -8.120 6.786 1.068 1.00 15.00 N ATOM 722 CA TYR B 214 -7.540 6.050 2.185 1.00 15.00 C ATOM 723 C TYR B 214 -8.003 4.600 2.188 1.00 15.00 C ATOM 724 O TYR B 214 -9.202 4.326 2.198 1.00 15.00 O ATOM 725 CB TYR B 214 -7.893 6.733 3.514 1.00 15.00 C ATOM 726 CG TYR B 214 -7.182 8.063 3.742 1.00 15.00 C ATOM 727 CD1 TYR B 214 -6.503 8.708 2.713 1.00 15.00 C ATOM 728 CD2 TYR B 214 -7.188 8.667 4.990 1.00 15.00 C ATOM 729 CE1 TYR B 214 -5.851 9.908 2.914 1.00 15.00 C ATOM 730 CE2 TYR B 214 -6.541 9.870 5.202 1.00 15.00 C ATOM 731 CZ TYR B 214 -5.875 10.487 4.165 1.00 15.00 C ATOM 732 OH TYR B 214 -5.226 11.682 4.386 1.00 15.00 O ATOM 0 H TYR B 214 -9.140 6.807 1.064 1.00 15.00 H new ATOM 0 HA TYR B 214 -6.456 6.053 2.067 1.00 15.00 H new ATOM 0 HB2 TYR B 214 -8.970 6.899 3.550 1.00 15.00 H new ATOM 0 HB3 TYR B 214 -7.647 6.057 4.333 1.00 15.00 H new ATOM 0 HD1 TYR B 214 -6.486 8.258 1.731 1.00 15.00 H new ATOM 0 HD2 TYR B 214 -7.706 8.190 5.809 1.00 15.00 H new ATOM 0 HE1 TYR B 214 -5.328 10.388 2.100 1.00 15.00 H new ATOM 0 HE2 TYR B 214 -6.557 10.327 6.181 1.00 15.00 H new ATOM 0 HH TYR B 214 -5.344 11.950 5.321 1.00 15.00 H new ATOM 742 N PRO B 215 -7.060 3.650 2.192 1.00 15.00 N ATOM 743 CA PRO B 215 -7.370 2.217 2.181 1.00 15.00 C ATOM 744 C PRO B 215 -7.978 1.702 3.481 1.00 15.00 C ATOM 745 O PRO B 215 -8.693 0.700 3.485 1.00 15.00 O ATOM 746 CB PRO B 215 -6.009 1.552 1.966 1.00 15.00 C ATOM 747 CG PRO B 215 -5.102 2.635 1.514 1.00 15.00 C ATOM 748 CD PRO B 215 -5.611 3.888 2.162 1.00 15.00 C ATOM 0 HA PRO B 215 -8.116 1.999 1.417 1.00 15.00 H new ATOM 0 HB2 PRO B 215 -5.646 1.096 2.887 1.00 15.00 H new ATOM 0 HB3 PRO B 215 -6.074 0.759 1.221 1.00 15.00 H new ATOM 0 HG2 PRO B 215 -4.073 2.432 1.809 1.00 15.00 H new ATOM 0 HG3 PRO B 215 -5.110 2.725 0.428 1.00 15.00 H new ATOM 0 HD2 PRO B 215 -5.200 4.026 3.162 1.00 15.00 H new ATOM 0 HD3 PRO B 215 -5.356 4.778 1.586 1.00 15.00 H new ATOM 756 N MET B 216 -7.658 2.354 4.586 1.00 15.00 N ATOM 757 CA MET B 216 -8.070 1.873 5.895 1.00 15.00 C ATOM 758 C MET B 216 -8.254 3.052 6.840 1.00 15.00 C ATOM 759 O MET B 216 -7.388 3.926 6.923 1.00 15.00 O ATOM 760 CB MET B 216 -7.015 0.895 6.430 1.00 15.00 C ATOM 761 CG MET B 216 -7.458 0.073 7.631 1.00 15.00 C ATOM 762 SD MET B 216 -9.019 -0.788 7.357 1.00 15.00 S ATOM 763 CE MET B 216 -9.233 -1.611 8.936 1.00 15.00 C ATOM 0 H MET B 216 -7.115 3.217 4.604 1.00 15.00 H new ATOM 0 HA MET B 216 -9.022 1.348 5.817 1.00 15.00 H new ATOM 0 HB2 MET B 216 -6.730 0.215 5.627 1.00 15.00 H new ATOM 0 HB3 MET B 216 -6.123 1.458 6.702 1.00 15.00 H new ATOM 0 HG2 MET B 216 -6.684 -0.656 7.871 1.00 15.00 H new ATOM 0 HG3 MET B 216 -7.558 0.728 8.496 1.00 15.00 H new ATOM 0 HE1 MET B 216 -10.158 -2.187 8.924 1.00 15.00 H new ATOM 0 HE2 MET B 216 -8.391 -2.280 9.114 1.00 15.00 H new ATOM 0 HE3 MET B 216 -9.279 -0.867 9.731 1.00 15.00 H new ATOM 773 N ASP B 217 -9.371 3.074 7.547 1.00 15.00 N ATOM 774 CA ASP B 217 -9.693 4.188 8.428 1.00 15.00 C ATOM 775 C ASP B 217 -9.139 3.935 9.819 1.00 15.00 C ATOM 776 O ASP B 217 -8.099 4.534 10.170 1.00 15.00 O ATOM 777 CB ASP B 217 -11.209 4.387 8.505 1.00 15.00 C ATOM 778 CG ASP B 217 -11.594 5.628 9.285 1.00 15.00 C ATOM 779 OD1 ASP B 217 -11.703 6.709 8.668 1.00 15.00 O1- ATOM 780 OD2 ASP B 217 -11.822 5.530 10.509 1.00 15.00 O ATOM 781 OXT ASP B 217 -9.726 3.118 10.551 1.00 15.00 O ATOM 0 H ASP B 217 -10.072 2.333 7.529 1.00 15.00 H new ATOM 0 HA ASP B 217 -9.238 5.091 8.021 1.00 15.00 H new ATOM 0 HB2 ASP B 217 -11.615 4.456 7.496 1.00 15.00 H new ATOM 0 HB3 ASP B 217 -11.663 3.513 8.972 1.00 15.00 H new TER 786 ASP B 217