USER MOD reduce.3.24.130724 H: found=0, std=0, add=373, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 379 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 200 GLN : amide:sc= 0.775 K(o=1.7,f=-2.7) USER MOD Set 1.2: A 204 LYS NZ :NH3+ -174:sc= 0.877 (180deg=0) USER MOD Set 2.1: A 191 ASN : amide:sc= 0.191 K(o=0.13,f=-4.3!) USER MOD Set 2.2: A 196 THR OG1 : rot 180:sc= -0.231 USER MOD Set 2.3: A 198 THR OG1 : rot 115:sc= 0.169 USER MOD Single : A 179 MET CE :methyl 174:sc= -7.02! (180deg=-7.55!) USER MOD Single : A 181 LYS NZ :NH3+ 159:sc= -0.0294 (180deg=-0.242) USER MOD Single : A 182 THR OG1 : rot 179:sc= -1.31 USER MOD Single : A 183 SER OG : rot 180:sc= 0 USER MOD Single : A 184 SER OG : rot 180:sc= 0.0123 USER MOD Single : A 186 GLN :FLIP amide:sc= 0 F(o=-0.7,f=0) USER MOD Single : A 188 TYR OH : rot 121:sc= -0.841 USER MOD Single : A 192 HIS : no HD1:sc= -1.14! C(o=-1.1!,f=-4.2!) USER MOD Single : A 195 GLN : amide:sc= 0 K(o=0,f=-0.76) USER MOD Single : A 197 THR OG1 : rot 180:sc= 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 12.724 7.434 6.519 1.00 15.00 N ATOM 2 CA ASP A 170 12.532 7.260 5.058 1.00 15.00 C ATOM 3 C ASP A 170 12.728 5.802 4.650 1.00 15.00 C ATOM 4 O ASP A 170 12.296 5.387 3.573 1.00 15.00 O ATOM 5 CB ASP A 170 13.507 8.144 4.277 1.00 15.00 C ATOM 6 CG ASP A 170 14.948 7.725 4.481 1.00 15.00 C ATOM 7 OD1 ASP A 170 15.477 7.932 5.592 1.00 15.00 O ATOM 8 OD2 ASP A 170 15.558 7.188 3.534 1.00 15.00 O1- ATOM 0 HA ASP A 170 11.510 7.557 4.822 1.00 15.00 H new ATOM 0 HB2 ASP A 170 13.264 8.100 3.215 1.00 15.00 H new ATOM 0 HB3 ASP A 170 13.384 9.181 4.589 1.00 15.00 H new ATOM 15 N VAL A 171 13.404 5.035 5.499 1.00 15.00 N ATOM 16 CA VAL A 171 13.650 3.623 5.223 1.00 15.00 C ATOM 17 C VAL A 171 12.430 2.745 5.550 1.00 15.00 C ATOM 18 O VAL A 171 12.017 1.937 4.721 1.00 15.00 O ATOM 19 CB VAL A 171 14.889 3.112 5.992 1.00 15.00 C ATOM 20 CG1 VAL A 171 15.136 1.636 5.713 1.00 15.00 C ATOM 21 CG2 VAL A 171 16.116 3.939 5.631 1.00 15.00 C ATOM 0 H VAL A 171 13.791 5.366 6.383 1.00 15.00 H new ATOM 0 HA VAL A 171 13.840 3.545 4.153 1.00 15.00 H new ATOM 0 HB VAL A 171 14.696 3.223 7.059 1.00 15.00 H new ATOM 0 HG11 VAL A 171 16.014 1.303 6.267 1.00 15.00 H new ATOM 0 HG12 VAL A 171 14.268 1.056 6.026 1.00 15.00 H new ATOM 0 HG13 VAL A 171 15.304 1.491 4.646 1.00 15.00 H new ATOM 0 HG21 VAL A 171 16.980 3.567 6.181 1.00 15.00 H new ATOM 0 HG22 VAL A 171 16.306 3.861 4.560 1.00 15.00 H new ATOM 0 HG23 VAL A 171 15.941 4.983 5.893 1.00 15.00 H new ATOM 31 N PRO A 172 11.831 2.873 6.761 1.00 15.00 N ATOM 32 CA PRO A 172 10.667 2.063 7.151 1.00 15.00 C ATOM 33 C PRO A 172 9.444 2.294 6.264 1.00 15.00 C ATOM 34 O PRO A 172 8.683 1.366 5.999 1.00 15.00 O ATOM 35 CB PRO A 172 10.372 2.503 8.590 1.00 15.00 C ATOM 36 CG PRO A 172 11.639 3.119 9.066 1.00 15.00 C ATOM 37 CD PRO A 172 12.253 3.760 7.857 1.00 15.00 C ATOM 0 HA PRO A 172 10.883 0.999 7.051 1.00 15.00 H new ATOM 0 HB2 PRO A 172 9.548 3.216 8.625 1.00 15.00 H new ATOM 0 HB3 PRO A 172 10.086 1.655 9.212 1.00 15.00 H new ATOM 0 HG2 PRO A 172 11.448 3.856 9.846 1.00 15.00 H new ATOM 0 HG3 PRO A 172 12.304 2.368 9.492 1.00 15.00 H new ATOM 0 HD2 PRO A 172 11.892 4.779 7.713 1.00 15.00 H new ATOM 0 HD3 PRO A 172 13.339 3.814 7.937 1.00 15.00 H new ATOM 45 N LEU A 173 9.238 3.530 5.829 1.00 15.00 N ATOM 46 CA LEU A 173 8.096 3.855 4.981 1.00 15.00 C ATOM 47 C LEU A 173 8.515 4.794 3.849 1.00 15.00 C ATOM 48 O LEU A 173 8.838 5.959 4.092 1.00 15.00 O ATOM 49 CB LEU A 173 6.977 4.515 5.804 1.00 15.00 C ATOM 50 CG LEU A 173 6.423 3.701 6.984 1.00 15.00 C ATOM 51 CD1 LEU A 173 5.409 4.529 7.756 1.00 15.00 C ATOM 52 CD2 LEU A 173 5.781 2.404 6.505 1.00 15.00 C ATOM 0 H LEU A 173 9.843 4.322 6.047 1.00 15.00 H new ATOM 0 HA LEU A 173 7.723 2.924 4.554 1.00 15.00 H new ATOM 0 HB2 LEU A 173 7.351 5.464 6.189 1.00 15.00 H new ATOM 0 HB3 LEU A 173 6.151 4.747 5.132 1.00 15.00 H new ATOM 0 HG LEU A 173 7.255 3.445 7.640 1.00 15.00 H new ATOM 0 HD11 LEU A 173 5.022 3.944 8.590 1.00 15.00 H new ATOM 0 HD12 LEU A 173 5.889 5.430 8.137 1.00 15.00 H new ATOM 0 HD13 LEU A 173 4.588 4.807 7.095 1.00 15.00 H new ATOM 0 HD21 LEU A 173 5.398 1.849 7.362 1.00 15.00 H new ATOM 0 HD22 LEU A 173 4.960 2.634 5.825 1.00 15.00 H new ATOM 0 HD23 LEU A 173 6.525 1.800 5.985 1.00 15.00 H new ATOM 64 N PRO A 174 8.548 4.288 2.603 1.00 15.00 N ATOM 65 CA PRO A 174 8.839 5.103 1.413 1.00 15.00 C ATOM 66 C PRO A 174 7.871 6.276 1.262 1.00 15.00 C ATOM 67 O PRO A 174 6.699 6.179 1.628 1.00 15.00 O ATOM 68 CB PRO A 174 8.665 4.119 0.251 1.00 15.00 C ATOM 69 CG PRO A 174 8.849 2.773 0.854 1.00 15.00 C ATOM 70 CD PRO A 174 8.329 2.874 2.258 1.00 15.00 C ATOM 0 HA PRO A 174 9.831 5.553 1.464 1.00 15.00 H new ATOM 0 HB2 PRO A 174 7.679 4.216 -0.204 1.00 15.00 H new ATOM 0 HB3 PRO A 174 9.398 4.303 -0.535 1.00 15.00 H new ATOM 0 HG2 PRO A 174 8.305 2.015 0.290 1.00 15.00 H new ATOM 0 HG3 PRO A 174 9.900 2.483 0.847 1.00 15.00 H new ATOM 0 HD2 PRO A 174 7.274 2.605 2.316 1.00 15.00 H new ATOM 0 HD3 PRO A 174 8.865 2.208 2.934 1.00 15.00 H new ATOM 78 N ALA A 175 8.350 7.371 0.687 1.00 15.00 N ATOM 79 CA ALA A 175 7.543 8.578 0.566 1.00 15.00 C ATOM 80 C ALA A 175 6.752 8.580 -0.737 1.00 15.00 C ATOM 81 O ALA A 175 7.268 8.202 -1.792 1.00 15.00 O ATOM 82 CB ALA A 175 8.428 9.812 0.655 1.00 15.00 C ATOM 0 H ALA A 175 9.290 7.449 0.298 1.00 15.00 H new ATOM 0 HA ALA A 175 6.830 8.596 1.390 1.00 15.00 H new ATOM 0 HB1 ALA A 175 7.814 10.708 0.563 1.00 15.00 H new ATOM 0 HB2 ALA A 175 8.943 9.822 1.616 1.00 15.00 H new ATOM 0 HB3 ALA A 175 9.163 9.792 -0.150 1.00 15.00 H new ATOM 88 N GLY A 176 5.501 9.014 -0.653 1.00 15.00 N ATOM 89 CA GLY A 176 4.612 8.983 -1.799 1.00 15.00 C ATOM 90 C GLY A 176 3.849 7.675 -1.868 1.00 15.00 C ATOM 91 O GLY A 176 3.234 7.345 -2.886 1.00 15.00 O ATOM 0 H GLY A 176 5.083 9.391 0.198 1.00 15.00 H new ATOM 0 HA2 GLY A 176 3.909 9.814 -1.739 1.00 15.00 H new ATOM 0 HA3 GLY A 176 5.189 9.119 -2.714 1.00 15.00 H new ATOM 95 N TRP A 177 3.872 6.949 -0.758 1.00 15.00 N ATOM 96 CA TRP A 177 3.218 5.655 -0.660 1.00 15.00 C ATOM 97 C TRP A 177 2.229 5.655 0.499 1.00 15.00 C ATOM 98 O TRP A 177 2.487 6.248 1.547 1.00 15.00 O ATOM 99 CB TRP A 177 4.257 4.547 -0.442 1.00 15.00 C ATOM 100 CG TRP A 177 5.198 4.344 -1.592 1.00 15.00 C ATOM 101 CD1 TRP A 177 6.243 5.143 -1.945 1.00 15.00 C ATOM 102 CD2 TRP A 177 5.197 3.254 -2.521 1.00 15.00 C ATOM 103 NE1 TRP A 177 6.879 4.633 -3.049 1.00 15.00 N ATOM 104 CE2 TRP A 177 6.258 3.470 -3.420 1.00 15.00 C ATOM 105 CE3 TRP A 177 4.400 2.120 -2.682 1.00 15.00 C ATOM 106 CZ2 TRP A 177 6.540 2.592 -4.464 1.00 15.00 C ATOM 107 CZ3 TRP A 177 4.683 1.249 -3.714 1.00 15.00 C ATOM 108 CH2 TRP A 177 5.745 1.489 -4.594 1.00 15.00 C ATOM 0 H TRP A 177 4.344 7.242 0.097 1.00 15.00 H new ATOM 0 HA TRP A 177 2.685 5.467 -1.592 1.00 15.00 H new ATOM 0 HB2 TRP A 177 4.838 4.781 0.450 1.00 15.00 H new ATOM 0 HB3 TRP A 177 3.735 3.610 -0.246 1.00 15.00 H new ATOM 0 HD1 TRP A 177 6.530 6.048 -1.430 1.00 15.00 H new ATOM 0 HE1 TRP A 177 7.683 5.052 -3.517 1.00 15.00 H new ATOM 0 HE3 TRP A 177 3.576 1.927 -2.011 1.00 15.00 H new ATOM 0 HZ2 TRP A 177 7.357 2.777 -5.146 1.00 15.00 H new ATOM 0 HZ3 TRP A 177 4.074 0.366 -3.845 1.00 15.00 H new ATOM 0 HH2 TRP A 177 5.940 0.788 -5.392 1.00 15.00 H new ATOM 119 N GLU A 178 1.105 4.984 0.309 1.00 15.00 N ATOM 120 CA GLU A 178 0.120 4.825 1.363 1.00 15.00 C ATOM 121 C GLU A 178 0.436 3.557 2.145 1.00 15.00 C ATOM 122 O GLU A 178 0.314 2.449 1.617 1.00 15.00 O ATOM 123 CB GLU A 178 -1.291 4.752 0.774 1.00 15.00 C ATOM 124 CG GLU A 178 -2.390 4.827 1.818 1.00 15.00 C ATOM 125 CD GLU A 178 -2.382 6.150 2.553 1.00 15.00 C ATOM 126 OE1 GLU A 178 -2.933 7.131 2.014 1.00 15.00 O1- ATOM 127 OE2 GLU A 178 -1.806 6.219 3.657 1.00 15.00 O ATOM 0 H GLU A 178 0.852 4.538 -0.573 1.00 15.00 H new ATOM 0 HA GLU A 178 0.160 5.686 2.030 1.00 15.00 H new ATOM 0 HB2 GLU A 178 -1.421 5.567 0.062 1.00 15.00 H new ATOM 0 HB3 GLU A 178 -1.395 3.822 0.215 1.00 15.00 H new ATOM 0 HG2 GLU A 178 -3.358 4.685 1.337 1.00 15.00 H new ATOM 0 HG3 GLU A 178 -2.267 4.014 2.533 1.00 15.00 H new ATOM 134 N MET A 179 0.860 3.723 3.389 1.00 15.00 N ATOM 135 CA MET A 179 1.378 2.607 4.172 1.00 15.00 C ATOM 136 C MET A 179 0.342 2.104 5.165 1.00 15.00 C ATOM 137 O MET A 179 0.025 2.799 6.133 1.00 15.00 O ATOM 138 CB MET A 179 2.630 3.037 4.948 1.00 15.00 C ATOM 139 CG MET A 179 3.531 4.007 4.195 1.00 15.00 C ATOM 140 SD MET A 179 4.137 3.348 2.632 1.00 15.00 S ATOM 141 CE MET A 179 5.240 2.065 3.203 1.00 15.00 C ATOM 0 H MET A 179 0.856 4.618 3.879 1.00 15.00 H new ATOM 0 HA MET A 179 1.625 1.806 3.475 1.00 15.00 H new ATOM 0 HB2 MET A 179 2.321 3.499 5.886 1.00 15.00 H new ATOM 0 HB3 MET A 179 3.207 2.149 5.205 1.00 15.00 H new ATOM 0 HG2 MET A 179 2.982 4.929 4.004 1.00 15.00 H new ATOM 0 HG3 MET A 179 4.381 4.267 4.826 1.00 15.00 H new ATOM 0 HE1 MET A 179 5.610 1.497 2.350 1.00 15.00 H new ATOM 0 HE2 MET A 179 6.081 2.516 3.730 1.00 15.00 H new ATOM 0 HE3 MET A 179 4.704 1.398 3.878 1.00 15.00 H new ATOM 151 N ALA A 180 -0.208 0.918 4.925 1.00 15.00 N ATOM 152 CA ALA A 180 -1.076 0.291 5.913 1.00 15.00 C ATOM 153 C ALA A 180 -1.005 -1.226 5.828 1.00 15.00 C ATOM 154 O ALA A 180 -1.062 -1.806 4.745 1.00 15.00 O ATOM 155 CB ALA A 180 -2.512 0.772 5.776 1.00 15.00 C ATOM 0 H ALA A 180 -0.071 0.380 4.069 1.00 15.00 H new ATOM 0 HA ALA A 180 -0.715 0.590 6.897 1.00 15.00 H new ATOM 0 HB1 ALA A 180 -3.132 0.284 6.528 1.00 15.00 H new ATOM 0 HB2 ALA A 180 -2.549 1.852 5.919 1.00 15.00 H new ATOM 0 HB3 ALA A 180 -2.885 0.525 4.782 1.00 15.00 H new ATOM 161 N LYS A 181 -0.867 -1.863 6.977 1.00 15.00 N ATOM 162 CA LYS A 181 -0.819 -3.312 7.044 1.00 15.00 C ATOM 163 C LYS A 181 -1.999 -3.821 7.859 1.00 15.00 C ATOM 164 O LYS A 181 -2.246 -3.337 8.965 1.00 15.00 O ATOM 165 CB LYS A 181 0.493 -3.773 7.687 1.00 15.00 C ATOM 166 CG LYS A 181 1.710 -2.976 7.241 1.00 15.00 C ATOM 167 CD LYS A 181 2.991 -3.542 7.828 1.00 15.00 C ATOM 168 CE LYS A 181 4.050 -2.465 7.990 1.00 15.00 C ATOM 169 NZ LYS A 181 3.704 -1.517 9.085 1.00 15.00 N1+ ATOM 0 H LYS A 181 -0.786 -1.397 7.880 1.00 15.00 H new ATOM 0 HA LYS A 181 -0.872 -3.716 6.033 1.00 15.00 H new ATOM 0 HB2 LYS A 181 0.400 -3.701 8.771 1.00 15.00 H new ATOM 0 HB3 LYS A 181 0.653 -4.825 7.450 1.00 15.00 H new ATOM 0 HG2 LYS A 181 1.773 -2.984 6.153 1.00 15.00 H new ATOM 0 HG3 LYS A 181 1.597 -1.936 7.546 1.00 15.00 H new ATOM 0 HD2 LYS A 181 2.780 -3.995 8.797 1.00 15.00 H new ATOM 0 HD3 LYS A 181 3.371 -4.333 7.182 1.00 15.00 H new ATOM 0 HE2 LYS A 181 5.013 -2.930 8.201 1.00 15.00 H new ATOM 0 HE3 LYS A 181 4.159 -1.917 7.054 1.00 15.00 H new ATOM 0 HZ1 LYS A 181 4.565 -1.032 9.409 1.00 15.00 H new ATOM 0 HZ2 LYS A 181 3.022 -0.815 8.734 1.00 15.00 H new ATOM 0 HZ3 LYS A 181 3.283 -2.042 9.878 1.00 15.00 H new ATOM 183 N THR A 182 -2.720 -4.795 7.326 1.00 15.00 N ATOM 184 CA THR A 182 -3.863 -5.347 8.030 1.00 15.00 C ATOM 185 C THR A 182 -3.418 -6.518 8.901 1.00 15.00 C ATOM 186 O THR A 182 -2.509 -7.264 8.524 1.00 15.00 O ATOM 187 CB THR A 182 -4.960 -5.840 7.055 1.00 15.00 C ATOM 188 OG1 THR A 182 -4.523 -7.017 6.368 1.00 15.00 O ATOM 189 CG2 THR A 182 -5.311 -4.770 6.029 1.00 15.00 C ATOM 0 H THR A 182 -2.535 -5.216 6.415 1.00 15.00 H new ATOM 0 HA THR A 182 -4.282 -4.550 8.644 1.00 15.00 H new ATOM 0 HB THR A 182 -5.847 -6.065 7.648 1.00 15.00 H new ATOM 0 HG1 THR A 182 -5.233 -7.328 5.768 1.00 15.00 H new ATOM 0 HG21 THR A 182 -6.084 -5.147 5.360 1.00 15.00 H new ATOM 0 HG22 THR A 182 -5.678 -3.881 6.542 1.00 15.00 H new ATOM 0 HG23 THR A 182 -4.423 -4.515 5.451 1.00 15.00 H new ATOM 197 N SER A 183 -4.054 -6.674 10.064 1.00 15.00 N ATOM 198 CA SER A 183 -3.764 -7.791 10.960 1.00 15.00 C ATOM 199 C SER A 183 -4.091 -9.128 10.286 1.00 15.00 C ATOM 200 O SER A 183 -3.680 -10.195 10.745 1.00 15.00 O ATOM 201 CB SER A 183 -4.550 -7.637 12.266 1.00 15.00 C ATOM 202 OG SER A 183 -4.317 -6.363 12.850 1.00 15.00 O ATOM 0 H SER A 183 -4.775 -6.038 10.406 1.00 15.00 H new ATOM 0 HA SER A 183 -2.699 -7.783 11.191 1.00 15.00 H new ATOM 0 HB2 SER A 183 -5.615 -7.763 12.071 1.00 15.00 H new ATOM 0 HB3 SER A 183 -4.259 -8.421 12.965 1.00 15.00 H new ATOM 0 HG SER A 183 -4.830 -6.286 13.682 1.00 15.00 H new ATOM 208 N SER A 184 -4.842 -9.052 9.193 1.00 15.00 N ATOM 209 CA SER A 184 -5.131 -10.205 8.352 1.00 15.00 C ATOM 210 C SER A 184 -3.848 -10.718 7.694 1.00 15.00 C ATOM 211 O SER A 184 -3.810 -11.816 7.140 1.00 15.00 O ATOM 212 CB SER A 184 -6.155 -9.820 7.286 1.00 15.00 C ATOM 213 OG SER A 184 -7.141 -8.959 7.829 1.00 15.00 O ATOM 0 H SER A 184 -5.268 -8.185 8.865 1.00 15.00 H new ATOM 0 HA SER A 184 -5.543 -11.002 8.971 1.00 15.00 H new ATOM 0 HB2 SER A 184 -5.653 -9.327 6.453 1.00 15.00 H new ATOM 0 HB3 SER A 184 -6.628 -10.718 6.887 1.00 15.00 H new ATOM 0 HG SER A 184 -7.787 -8.721 7.132 1.00 15.00 H new ATOM 219 N GLY A 185 -2.809 -9.889 7.738 1.00 15.00 N ATOM 220 CA GLY A 185 -1.551 -10.217 7.107 1.00 15.00 C ATOM 221 C GLY A 185 -1.491 -9.724 5.679 1.00 15.00 C ATOM 222 O GLY A 185 -0.908 -10.375 4.812 1.00 15.00 O ATOM 0 H GLY A 185 -2.822 -8.984 8.208 1.00 15.00 H new ATOM 0 HA2 GLY A 185 -0.733 -9.777 7.678 1.00 15.00 H new ATOM 0 HA3 GLY A 185 -1.407 -11.297 7.124 1.00 15.00 H new ATOM 226 N GLN A 186 -2.102 -8.574 5.435 1.00 15.00 N ATOM 227 CA GLN A 186 -2.058 -7.953 4.119 1.00 15.00 C ATOM 228 C GLN A 186 -1.293 -6.646 4.192 1.00 15.00 C ATOM 229 O GLN A 186 -1.757 -5.672 4.786 1.00 15.00 O ATOM 230 CB GLN A 186 -3.467 -7.705 3.569 1.00 15.00 C ATOM 231 CG GLN A 186 -4.256 -8.980 3.336 1.00 15.00 C ATOM 232 CD GLN A 186 -5.715 -8.725 3.011 1.00 15.00 C ATOM 233 OE1 GLN A 186 -6.001 -7.597 2.381 1.00 15.00 O flip ATOM 234 NE2 GLN A 186 -6.577 -9.538 3.325 1.00 15.00 N flip ATOM 0 H GLN A 186 -2.634 -8.052 6.131 1.00 15.00 H new ATOM 0 HA GLN A 186 -1.549 -8.637 3.440 1.00 15.00 H new ATOM 0 HB2 GLN A 186 -4.014 -7.070 4.266 1.00 15.00 H new ATOM 0 HB3 GLN A 186 -3.391 -7.157 2.630 1.00 15.00 H new ATOM 0 HG2 GLN A 186 -3.800 -9.538 2.518 1.00 15.00 H new ATOM 0 HG3 GLN A 186 -4.192 -9.607 4.225 1.00 15.00 H new ATOM 0 HE21 GLN A 186 -6.316 -10.396 3.810 1.00 15.00 H new ATOM 0 HE22 GLN A 186 -7.555 -9.356 3.101 1.00 15.00 H new ATOM 243 N ARG A 187 -0.106 -6.639 3.615 1.00 15.00 N ATOM 244 CA ARG A 187 0.716 -5.444 3.589 1.00 15.00 C ATOM 245 C ARG A 187 0.530 -4.726 2.260 1.00 15.00 C ATOM 246 O ARG A 187 1.185 -5.036 1.268 1.00 15.00 O ATOM 247 CB ARG A 187 2.193 -5.799 3.836 1.00 15.00 C ATOM 248 CG ARG A 187 2.767 -6.789 2.830 1.00 15.00 C ATOM 249 CD ARG A 187 4.043 -7.443 3.328 1.00 15.00 C ATOM 250 NE ARG A 187 5.121 -6.488 3.574 1.00 15.00 N ATOM 251 CZ ARG A 187 6.166 -6.754 4.358 1.00 15.00 C ATOM 252 NH1 ARG A 187 6.256 -7.931 4.963 1.00 15.00 N1+ ATOM 253 NH2 ARG A 187 7.123 -5.853 4.527 1.00 15.00 N ATOM 0 H ARG A 187 0.311 -7.449 3.157 1.00 15.00 H new ATOM 0 HA ARG A 187 0.404 -4.773 4.389 1.00 15.00 H new ATOM 0 HB2 ARG A 187 2.786 -4.885 3.810 1.00 15.00 H new ATOM 0 HB3 ARG A 187 2.294 -6.215 4.838 1.00 15.00 H new ATOM 0 HG2 ARG A 187 2.025 -7.559 2.618 1.00 15.00 H new ATOM 0 HG3 ARG A 187 2.968 -6.274 1.891 1.00 15.00 H new ATOM 0 HD2 ARG A 187 3.830 -7.986 4.249 1.00 15.00 H new ATOM 0 HD3 ARG A 187 4.377 -8.177 2.595 1.00 15.00 H new ATOM 0 HE ARG A 187 5.072 -5.574 3.124 1.00 15.00 H new ATOM 0 HH11 ARG A 187 5.526 -8.631 4.828 1.00 15.00 H new ATOM 0 HH12 ARG A 187 7.055 -8.136 5.563 1.00 15.00 H new ATOM 0 HH21 ARG A 187 7.062 -4.950 4.056 1.00 15.00 H new ATOM 0 HH22 ARG A 187 7.920 -6.062 5.128 1.00 15.00 H new ATOM 267 N TYR A 188 -0.413 -3.803 2.217 1.00 15.00 N ATOM 268 CA TYR A 188 -0.693 -3.107 0.980 1.00 15.00 C ATOM 269 C TYR A 188 -0.083 -1.718 1.004 1.00 15.00 C ATOM 270 O TYR A 188 -0.065 -1.032 2.037 1.00 15.00 O ATOM 271 CB TYR A 188 -2.204 -3.058 0.685 1.00 15.00 C ATOM 272 CG TYR A 188 -3.041 -2.303 1.693 1.00 15.00 C ATOM 273 CD1 TYR A 188 -2.932 -0.927 1.834 1.00 15.00 C ATOM 274 CD2 TYR A 188 -3.965 -2.972 2.483 1.00 15.00 C ATOM 275 CE1 TYR A 188 -3.709 -0.240 2.740 1.00 15.00 C ATOM 276 CE2 TYR A 188 -4.748 -2.287 3.395 1.00 15.00 C ATOM 277 CZ TYR A 188 -4.613 -0.926 3.521 1.00 15.00 C ATOM 278 OH TYR A 188 -5.394 -0.244 4.426 1.00 15.00 O ATOM 0 H TYR A 188 -0.988 -3.523 3.011 1.00 15.00 H new ATOM 0 HA TYR A 188 -0.231 -3.666 0.166 1.00 15.00 H new ATOM 0 HB2 TYR A 188 -2.350 -2.604 -0.295 1.00 15.00 H new ATOM 0 HB3 TYR A 188 -2.577 -4.080 0.622 1.00 15.00 H new ATOM 0 HD1 TYR A 188 -2.226 -0.385 1.223 1.00 15.00 H new ATOM 0 HD2 TYR A 188 -4.074 -4.042 2.385 1.00 15.00 H new ATOM 0 HE1 TYR A 188 -3.610 0.831 2.838 1.00 15.00 H new ATOM 0 HE2 TYR A 188 -5.462 -2.820 4.005 1.00 15.00 H new ATOM 0 HH TYR A 188 -6.340 -0.390 4.217 1.00 15.00 H new ATOM 288 N PHE A 189 0.430 -1.318 -0.137 1.00 15.00 N ATOM 289 CA PHE A 189 1.036 -0.017 -0.281 1.00 15.00 C ATOM 290 C PHE A 189 0.503 0.653 -1.539 1.00 15.00 C ATOM 291 O PHE A 189 0.586 0.098 -2.635 1.00 15.00 O ATOM 292 CB PHE A 189 2.562 -0.151 -0.336 1.00 15.00 C ATOM 293 CG PHE A 189 3.145 -0.921 0.823 1.00 15.00 C ATOM 294 CD1 PHE A 189 3.356 -0.305 2.043 1.00 15.00 C ATOM 295 CD2 PHE A 189 3.476 -2.260 0.692 1.00 15.00 C ATOM 296 CE1 PHE A 189 3.885 -1.004 3.110 1.00 15.00 C ATOM 297 CE2 PHE A 189 4.008 -2.964 1.757 1.00 15.00 C ATOM 298 CZ PHE A 189 4.211 -2.334 2.967 1.00 15.00 C ATOM 0 H PHE A 189 0.439 -1.883 -0.986 1.00 15.00 H new ATOM 0 HA PHE A 189 0.782 0.602 0.579 1.00 15.00 H new ATOM 0 HB2 PHE A 189 2.841 -0.645 -1.266 1.00 15.00 H new ATOM 0 HB3 PHE A 189 3.005 0.845 -0.359 1.00 15.00 H new ATOM 0 HD1 PHE A 189 3.103 0.738 2.163 1.00 15.00 H new ATOM 0 HD2 PHE A 189 3.317 -2.760 -0.252 1.00 15.00 H new ATOM 0 HE1 PHE A 189 4.043 -0.508 4.056 1.00 15.00 H new ATOM 0 HE2 PHE A 189 4.264 -4.007 1.641 1.00 15.00 H new ATOM 0 HZ PHE A 189 4.625 -2.883 3.800 1.00 15.00 H new ATOM 308 N LEU A 190 -0.059 1.836 -1.380 1.00 15.00 N ATOM 309 CA LEU A 190 -0.561 2.591 -2.516 1.00 15.00 C ATOM 310 C LEU A 190 0.517 3.487 -3.090 1.00 15.00 C ATOM 311 O LEU A 190 1.229 4.145 -2.345 1.00 15.00 O ATOM 312 CB LEU A 190 -1.711 3.510 -2.120 1.00 15.00 C ATOM 313 CG LEU A 190 -3.131 2.968 -2.211 1.00 15.00 C ATOM 314 CD1 LEU A 190 -4.059 4.136 -2.494 1.00 15.00 C ATOM 315 CD2 LEU A 190 -3.256 1.917 -3.303 1.00 15.00 C ATOM 0 H LEU A 190 -0.180 2.296 -0.478 1.00 15.00 H new ATOM 0 HA LEU A 190 -0.893 1.850 -3.243 1.00 15.00 H new ATOM 0 HB2 LEU A 190 -1.542 3.830 -1.092 1.00 15.00 H new ATOM 0 HB3 LEU A 190 -1.655 4.402 -2.745 1.00 15.00 H new ATOM 0 HG LEU A 190 -3.397 2.485 -1.271 1.00 15.00 H new ATOM 0 HD11 LEU A 190 -5.086 3.776 -2.565 1.00 15.00 H new ATOM 0 HD12 LEU A 190 -3.984 4.864 -1.686 1.00 15.00 H new ATOM 0 HD13 LEU A 190 -3.774 4.607 -3.435 1.00 15.00 H new ATOM 0 HD21 LEU A 190 -4.282 1.551 -3.340 1.00 15.00 H new ATOM 0 HD22 LEU A 190 -2.993 2.358 -4.264 1.00 15.00 H new ATOM 0 HD23 LEU A 190 -2.583 1.087 -3.088 1.00 15.00 H new ATOM 327 N ASN A 191 0.619 3.557 -4.399 1.00 15.00 N ATOM 328 CA ASN A 191 1.380 4.622 -4.997 1.00 15.00 C ATOM 329 C ASN A 191 0.428 5.772 -5.242 1.00 15.00 C ATOM 330 O ASN A 191 -0.320 5.748 -6.219 1.00 15.00 O ATOM 331 CB ASN A 191 2.029 4.214 -6.322 1.00 15.00 C ATOM 332 CG ASN A 191 2.845 2.937 -6.249 1.00 15.00 C ATOM 333 OD1 ASN A 191 2.484 1.986 -5.557 1.00 15.00 O ATOM 334 ND2 ASN A 191 3.951 2.907 -6.971 1.00 15.00 N ATOM 0 H ASN A 191 0.193 2.902 -5.055 1.00 15.00 H new ATOM 0 HA ASN A 191 2.191 4.894 -4.321 1.00 15.00 H new ATOM 0 HB2 ASN A 191 1.249 4.090 -7.073 1.00 15.00 H new ATOM 0 HB3 ASN A 191 2.673 5.024 -6.662 1.00 15.00 H new ATOM 0 HD21 ASN A 191 4.540 2.074 -6.967 1.00 15.00 H new ATOM 0 HD22 ASN A 191 4.216 3.717 -7.532 1.00 15.00 H new ATOM 341 N HIS A 192 0.408 6.748 -4.331 1.00 15.00 N ATOM 342 CA HIS A 192 -0.485 7.903 -4.473 1.00 15.00 C ATOM 343 C HIS A 192 -0.042 8.767 -5.647 1.00 15.00 C ATOM 344 O HIS A 192 -0.720 9.720 -6.029 1.00 15.00 O ATOM 345 CB HIS A 192 -0.529 8.755 -3.197 1.00 15.00 C ATOM 346 CG HIS A 192 -1.653 8.418 -2.256 1.00 15.00 C ATOM 347 ND1 HIS A 192 -2.927 8.944 -2.370 1.00 15.00 N ATOM 348 CD2 HIS A 192 -1.679 7.629 -1.158 1.00 15.00 C ATOM 349 CE1 HIS A 192 -3.676 8.496 -1.379 1.00 15.00 C ATOM 350 NE2 HIS A 192 -2.947 7.697 -0.624 1.00 15.00 N ATOM 0 H HIS A 192 0.993 6.764 -3.495 1.00 15.00 H new ATOM 0 HA HIS A 192 -1.488 7.517 -4.654 1.00 15.00 H new ATOM 0 HB2 HIS A 192 0.417 8.641 -2.667 1.00 15.00 H new ATOM 0 HB3 HIS A 192 -0.612 9.804 -3.480 1.00 15.00 H new ATOM 0 HD2 HIS A 192 -0.854 7.050 -0.770 1.00 15.00 H new ATOM 0 HE1 HIS A 192 -4.714 8.743 -1.214 1.00 15.00 H new ATOM 0 HE2 HIS A 192 -3.268 7.212 0.214 1.00 15.00 H new ATOM 359 N ILE A 193 1.119 8.435 -6.191 1.00 15.00 N ATOM 360 CA ILE A 193 1.647 9.113 -7.357 1.00 15.00 C ATOM 361 C ILE A 193 1.303 8.331 -8.623 1.00 15.00 C ATOM 362 O ILE A 193 0.813 8.894 -9.601 1.00 15.00 O ATOM 363 CB ILE A 193 3.179 9.273 -7.256 1.00 15.00 C ATOM 364 CG1 ILE A 193 3.556 9.965 -5.942 1.00 15.00 C ATOM 365 CG2 ILE A 193 3.712 10.061 -8.444 1.00 15.00 C ATOM 366 CD1 ILE A 193 5.048 10.063 -5.708 1.00 15.00 C ATOM 0 H ILE A 193 1.717 7.690 -5.835 1.00 15.00 H new ATOM 0 HA ILE A 193 1.192 10.103 -7.404 1.00 15.00 H new ATOM 0 HB ILE A 193 3.633 8.282 -7.269 1.00 15.00 H new ATOM 0 HG12 ILE A 193 3.130 10.968 -5.936 1.00 15.00 H new ATOM 0 HG13 ILE A 193 3.103 9.421 -5.113 1.00 15.00 H new ATOM 0 HG21 ILE A 193 4.794 10.164 -8.356 1.00 15.00 H new ATOM 0 HG22 ILE A 193 3.471 9.534 -9.367 1.00 15.00 H new ATOM 0 HG23 ILE A 193 3.253 11.050 -8.460 1.00 15.00 H new ATOM 0 HD11 ILE A 193 5.235 10.565 -4.759 1.00 15.00 H new ATOM 0 HD12 ILE A 193 5.479 9.062 -5.681 1.00 15.00 H new ATOM 0 HD13 ILE A 193 5.506 10.633 -6.516 1.00 15.00 H new ATOM 378 N ASP A 194 1.536 7.019 -8.579 1.00 15.00 N ATOM 379 CA ASP A 194 1.365 6.164 -9.753 1.00 15.00 C ATOM 380 C ASP A 194 -0.080 5.719 -9.935 1.00 15.00 C ATOM 381 O ASP A 194 -0.439 5.210 -10.998 1.00 15.00 O ATOM 382 CB ASP A 194 2.254 4.919 -9.663 1.00 15.00 C ATOM 383 CG ASP A 194 3.726 5.245 -9.531 1.00 15.00 C ATOM 384 OD1 ASP A 194 4.391 5.443 -10.570 1.00 15.00 O ATOM 385 OD2 ASP A 194 4.227 5.290 -8.389 1.00 15.00 O1- ATOM 0 H ASP A 194 1.844 6.525 -7.742 1.00 15.00 H new ATOM 0 HA ASP A 194 1.657 6.767 -10.613 1.00 15.00 H new ATOM 0 HB2 ASP A 194 1.943 4.320 -8.807 1.00 15.00 H new ATOM 0 HB3 ASP A 194 2.102 4.307 -10.552 1.00 15.00 H new ATOM 390 N GLN A 195 -0.898 5.883 -8.892 1.00 15.00 N ATOM 391 CA GLN A 195 -2.292 5.429 -8.918 1.00 15.00 C ATOM 392 C GLN A 195 -2.326 3.906 -9.034 1.00 15.00 C ATOM 393 O GLN A 195 -3.117 3.328 -9.782 1.00 15.00 O ATOM 394 CB GLN A 195 -3.051 6.117 -10.078 1.00 15.00 C ATOM 395 CG GLN A 195 -4.534 5.760 -10.177 1.00 15.00 C ATOM 396 CD GLN A 195 -5.284 6.594 -11.199 1.00 15.00 C ATOM 397 OE1 GLN A 195 -4.954 7.755 -11.439 1.00 15.00 O ATOM 398 NE2 GLN A 195 -6.309 6.010 -11.804 1.00 15.00 N ATOM 0 H GLN A 195 -0.619 6.327 -8.017 1.00 15.00 H new ATOM 0 HA GLN A 195 -2.794 5.707 -7.992 1.00 15.00 H new ATOM 0 HB2 GLN A 195 -2.959 7.197 -9.963 1.00 15.00 H new ATOM 0 HB3 GLN A 195 -2.565 5.854 -11.018 1.00 15.00 H new ATOM 0 HG2 GLN A 195 -4.630 4.706 -10.437 1.00 15.00 H new ATOM 0 HG3 GLN A 195 -4.998 5.891 -9.200 1.00 15.00 H new ATOM 0 HE21 GLN A 195 -6.552 5.045 -11.578 1.00 15.00 H new ATOM 0 HE22 GLN A 195 -6.854 6.525 -12.495 1.00 15.00 H new ATOM 407 N THR A 196 -1.474 3.252 -8.257 1.00 15.00 N ATOM 408 CA THR A 196 -1.389 1.799 -8.299 1.00 15.00 C ATOM 409 C THR A 196 -1.472 1.185 -6.910 1.00 15.00 C ATOM 410 O THR A 196 -1.069 1.794 -5.916 1.00 15.00 O ATOM 411 CB THR A 196 -0.091 1.320 -8.984 1.00 15.00 C ATOM 412 OG1 THR A 196 1.041 1.964 -8.394 1.00 15.00 O ATOM 413 CG2 THR A 196 -0.111 1.605 -10.476 1.00 15.00 C ATOM 0 H THR A 196 -0.838 3.699 -7.596 1.00 15.00 H new ATOM 0 HA THR A 196 -2.245 1.465 -8.885 1.00 15.00 H new ATOM 0 HB THR A 196 -0.020 0.242 -8.841 1.00 15.00 H new ATOM 0 HG1 THR A 196 1.860 1.653 -8.833 1.00 15.00 H new ATOM 0 HG21 THR A 196 0.818 1.255 -10.926 1.00 15.00 H new ATOM 0 HG22 THR A 196 -0.954 1.087 -10.934 1.00 15.00 H new ATOM 0 HG23 THR A 196 -0.212 2.678 -10.640 1.00 15.00 H new ATOM 421 N THR A 197 -2.008 -0.024 -6.859 1.00 15.00 N ATOM 422 CA THR A 197 -2.138 -0.762 -5.619 1.00 15.00 C ATOM 423 C THR A 197 -1.091 -1.873 -5.556 1.00 15.00 C ATOM 424 O THR A 197 -1.100 -2.796 -6.372 1.00 15.00 O ATOM 425 CB THR A 197 -3.548 -1.365 -5.504 1.00 15.00 C ATOM 426 OG1 THR A 197 -4.530 -0.346 -5.747 1.00 15.00 O ATOM 427 CG2 THR A 197 -3.775 -1.974 -4.129 1.00 15.00 C ATOM 0 H THR A 197 -2.364 -0.518 -7.677 1.00 15.00 H new ATOM 0 HA THR A 197 -1.978 -0.076 -4.787 1.00 15.00 H new ATOM 0 HB THR A 197 -3.642 -2.156 -6.248 1.00 15.00 H new ATOM 0 HG1 THR A 197 -5.428 -0.733 -5.675 1.00 15.00 H new ATOM 0 HG21 THR A 197 -4.780 -2.392 -4.078 1.00 15.00 H new ATOM 0 HG22 THR A 197 -3.044 -2.764 -3.956 1.00 15.00 H new ATOM 0 HG23 THR A 197 -3.664 -1.203 -3.367 1.00 15.00 H new ATOM 435 N THR A 198 -0.184 -1.771 -4.601 1.00 15.00 N ATOM 436 CA THR A 198 0.918 -2.709 -4.476 1.00 15.00 C ATOM 437 C THR A 198 0.643 -3.732 -3.357 1.00 15.00 C ATOM 438 O THR A 198 0.313 -3.348 -2.233 1.00 15.00 O ATOM 439 CB THR A 198 2.217 -1.928 -4.187 1.00 15.00 C ATOM 440 OG1 THR A 198 2.370 -0.886 -5.160 1.00 15.00 O ATOM 441 CG2 THR A 198 3.443 -2.820 -4.223 1.00 15.00 C ATOM 0 H THR A 198 -0.190 -1.038 -3.892 1.00 15.00 H new ATOM 0 HA THR A 198 1.026 -3.260 -5.410 1.00 15.00 H new ATOM 0 HB THR A 198 2.134 -1.513 -3.183 1.00 15.00 H new ATOM 0 HG1 THR A 198 2.311 -0.014 -4.717 1.00 15.00 H new ATOM 0 HG21 THR A 198 4.332 -2.225 -4.014 1.00 15.00 H new ATOM 0 HG22 THR A 198 3.345 -3.603 -3.471 1.00 15.00 H new ATOM 0 HG23 THR A 198 3.534 -3.274 -5.210 1.00 15.00 H new ATOM 449 N TRP A 199 0.769 -5.026 -3.671 1.00 15.00 N ATOM 450 CA TRP A 199 0.489 -6.092 -2.706 1.00 15.00 C ATOM 451 C TRP A 199 1.736 -6.474 -1.910 1.00 15.00 C ATOM 452 O TRP A 199 1.639 -7.059 -0.827 1.00 15.00 O ATOM 453 CB TRP A 199 -0.015 -7.353 -3.415 1.00 15.00 C ATOM 454 CG TRP A 199 -1.495 -7.595 -3.360 1.00 15.00 C ATOM 455 CD1 TRP A 199 -2.267 -8.077 -4.378 1.00 15.00 C ATOM 456 CD2 TRP A 199 -2.387 -7.383 -2.255 1.00 15.00 C ATOM 457 NE1 TRP A 199 -3.561 -8.225 -3.965 1.00 15.00 N ATOM 458 CE2 TRP A 199 -3.658 -7.809 -2.674 1.00 15.00 C ATOM 459 CE3 TRP A 199 -2.248 -6.892 -0.949 1.00 15.00 C ATOM 460 CZ2 TRP A 199 -4.760 -7.775 -1.849 1.00 15.00 C ATOM 461 CZ3 TRP A 199 -3.376 -6.835 -0.143 1.00 15.00 C ATOM 462 CH2 TRP A 199 -4.613 -7.293 -0.615 1.00 15.00 C ATOM 0 H TRP A 199 1.064 -5.360 -4.589 1.00 15.00 H new ATOM 0 HA TRP A 199 -0.274 -5.704 -2.031 1.00 15.00 H new ATOM 0 HB2 TRP A 199 0.285 -7.301 -4.462 1.00 15.00 H new ATOM 0 HB3 TRP A 199 0.490 -8.216 -2.981 1.00 15.00 H new ATOM 0 HD1 TRP A 199 -1.906 -8.308 -5.369 1.00 15.00 H new ATOM 0 HE1 TRP A 199 -4.328 -8.588 -4.532 1.00 15.00 H new ATOM 0 HE3 TRP A 199 -1.287 -6.566 -0.580 1.00 15.00 H new ATOM 0 HZ2 TRP A 199 -5.720 -8.130 -2.193 1.00 15.00 H new ATOM 0 HZ3 TRP A 199 -3.300 -6.434 0.857 1.00 15.00 H new ATOM 0 HH2 TRP A 199 -5.471 -7.254 0.039 1.00 15.00 H new ATOM 473 N GLN A 200 2.903 -6.195 -2.469 1.00 15.00 N ATOM 474 CA GLN A 200 4.159 -6.590 -1.846 1.00 15.00 C ATOM 475 C GLN A 200 5.006 -5.370 -1.523 1.00 15.00 C ATOM 476 O GLN A 200 4.938 -4.360 -2.214 1.00 15.00 O ATOM 477 CB GLN A 200 4.934 -7.558 -2.746 1.00 15.00 C ATOM 478 CG GLN A 200 5.325 -6.977 -4.095 1.00 15.00 C ATOM 479 CD GLN A 200 6.077 -7.972 -4.955 1.00 15.00 C ATOM 480 OE1 GLN A 200 6.773 -8.854 -4.447 1.00 15.00 O ATOM 481 NE2 GLN A 200 5.946 -7.837 -6.265 1.00 15.00 N ATOM 0 H GLN A 200 3.008 -5.697 -3.353 1.00 15.00 H new ATOM 0 HA GLN A 200 3.926 -7.104 -0.913 1.00 15.00 H new ATOM 0 HB2 GLN A 200 5.837 -7.877 -2.225 1.00 15.00 H new ATOM 0 HB3 GLN A 200 4.328 -8.449 -2.909 1.00 15.00 H new ATOM 0 HG2 GLN A 200 4.428 -6.651 -4.621 1.00 15.00 H new ATOM 0 HG3 GLN A 200 5.944 -6.093 -3.941 1.00 15.00 H new ATOM 0 HE21 GLN A 200 5.360 -7.093 -6.645 1.00 15.00 H new ATOM 0 HE22 GLN A 200 6.431 -8.477 -6.895 1.00 15.00 H new ATOM 490 N ASP A 201 5.808 -5.479 -0.477 1.00 15.00 N ATOM 491 CA ASP A 201 6.611 -4.361 0.008 1.00 15.00 C ATOM 492 C ASP A 201 7.563 -3.837 -1.070 1.00 15.00 C ATOM 493 O ASP A 201 8.426 -4.569 -1.552 1.00 15.00 O ATOM 494 CB ASP A 201 7.408 -4.800 1.235 1.00 15.00 C ATOM 495 CG ASP A 201 7.871 -3.633 2.075 1.00 15.00 C ATOM 496 OD1 ASP A 201 8.635 -2.792 1.566 1.00 15.00 O ATOM 497 OD2 ASP A 201 7.477 -3.562 3.261 1.00 15.00 O1- ATOM 0 H ASP A 201 5.923 -6.339 0.060 1.00 15.00 H new ATOM 0 HA ASP A 201 5.934 -3.550 0.274 1.00 15.00 H new ATOM 0 HB2 ASP A 201 6.793 -5.461 1.846 1.00 15.00 H new ATOM 0 HB3 ASP A 201 8.274 -5.378 0.913 1.00 15.00 H new ATOM 502 N PRO A 202 7.407 -2.562 -1.468 1.00 15.00 N ATOM 503 CA PRO A 202 8.275 -1.907 -2.461 1.00 15.00 C ATOM 504 C PRO A 202 9.756 -1.888 -2.073 1.00 15.00 C ATOM 505 O PRO A 202 10.612 -1.593 -2.904 1.00 15.00 O ATOM 506 CB PRO A 202 7.737 -0.472 -2.537 1.00 15.00 C ATOM 507 CG PRO A 202 6.878 -0.305 -1.329 1.00 15.00 C ATOM 508 CD PRO A 202 6.332 -1.667 -1.024 1.00 15.00 C ATOM 0 HA PRO A 202 8.246 -2.448 -3.407 1.00 15.00 H new ATOM 0 HB2 PRO A 202 8.551 0.253 -2.543 1.00 15.00 H new ATOM 0 HB3 PRO A 202 7.164 -0.315 -3.451 1.00 15.00 H new ATOM 0 HG2 PRO A 202 7.455 0.082 -0.489 1.00 15.00 H new ATOM 0 HG3 PRO A 202 6.073 0.406 -1.517 1.00 15.00 H new ATOM 0 HD2 PRO A 202 6.120 -1.788 0.038 1.00 15.00 H new ATOM 0 HD3 PRO A 202 5.402 -1.858 -1.559 1.00 15.00 H new ATOM 516 N ARG A 203 10.057 -2.159 -0.811 1.00 15.00 N ATOM 517 CA ARG A 203 11.440 -2.190 -0.352 1.00 15.00 C ATOM 518 C ARG A 203 12.048 -3.562 -0.615 1.00 15.00 C ATOM 519 O ARG A 203 13.267 -3.745 -0.564 1.00 15.00 O ATOM 520 CB ARG A 203 11.515 -1.830 1.131 1.00 15.00 C ATOM 521 CG ARG A 203 10.928 -0.462 1.435 1.00 15.00 C ATOM 522 CD ARG A 203 10.690 -0.264 2.921 1.00 15.00 C ATOM 523 NE ARG A 203 9.844 -1.311 3.484 1.00 15.00 N ATOM 524 CZ ARG A 203 9.759 -1.582 4.782 1.00 15.00 C ATOM 525 NH1 ARG A 203 10.496 -0.908 5.658 1.00 15.00 N1+ ATOM 526 NH2 ARG A 203 8.935 -2.526 5.204 1.00 15.00 N ATOM 0 H ARG A 203 9.366 -2.360 -0.088 1.00 15.00 H new ATOM 0 HA ARG A 203 12.016 -1.450 -0.908 1.00 15.00 H new ATOM 0 HB2 ARG A 203 10.984 -2.585 1.711 1.00 15.00 H new ATOM 0 HB3 ARG A 203 12.556 -1.854 1.454 1.00 15.00 H new ATOM 0 HG2 ARG A 203 11.603 0.312 1.070 1.00 15.00 H new ATOM 0 HG3 ARG A 203 9.987 -0.344 0.898 1.00 15.00 H new ATOM 0 HD2 ARG A 203 11.647 -0.252 3.443 1.00 15.00 H new ATOM 0 HD3 ARG A 203 10.224 0.707 3.087 1.00 15.00 H new ATOM 0 HE ARG A 203 9.283 -1.870 2.841 1.00 15.00 H new ATOM 0 HH11 ARG A 203 11.131 -0.178 5.335 1.00 15.00 H new ATOM 0 HH12 ARG A 203 10.427 -1.120 6.653 1.00 15.00 H new ATOM 0 HH21 ARG A 203 8.367 -3.044 4.534 1.00 15.00 H new ATOM 0 HH22 ARG A 203 8.868 -2.736 6.200 1.00 15.00 H new ATOM 540 N LYS A 204 11.172 -4.518 -0.897 1.00 15.00 N ATOM 541 CA LYS A 204 11.566 -5.882 -1.222 1.00 15.00 C ATOM 542 C LYS A 204 12.070 -5.970 -2.662 1.00 15.00 C ATOM 543 O LYS A 204 12.774 -6.912 -3.034 1.00 15.00 O ATOM 544 CB LYS A 204 10.364 -6.814 -1.018 1.00 15.00 C ATOM 545 CG LYS A 204 10.528 -8.204 -1.607 1.00 15.00 C ATOM 546 CD LYS A 204 9.187 -8.913 -1.707 1.00 15.00 C ATOM 547 CE LYS A 204 9.293 -10.210 -2.489 1.00 15.00 C ATOM 548 NZ LYS A 204 7.963 -10.840 -2.707 1.00 15.00 N1+ ATOM 0 H LYS A 204 10.163 -4.368 -0.907 1.00 15.00 H new ATOM 0 HA LYS A 204 12.379 -6.187 -0.563 1.00 15.00 H new ATOM 0 HB2 LYS A 204 10.173 -6.908 0.051 1.00 15.00 H new ATOM 0 HB3 LYS A 204 9.483 -6.349 -1.460 1.00 15.00 H new ATOM 0 HG2 LYS A 204 10.981 -8.133 -2.596 1.00 15.00 H new ATOM 0 HG3 LYS A 204 11.207 -8.788 -0.986 1.00 15.00 H new ATOM 0 HD2 LYS A 204 8.811 -9.122 -0.706 1.00 15.00 H new ATOM 0 HD3 LYS A 204 8.463 -8.256 -2.189 1.00 15.00 H new ATOM 0 HE2 LYS A 204 9.764 -10.015 -3.452 1.00 15.00 H new ATOM 0 HE3 LYS A 204 9.940 -10.905 -1.953 1.00 15.00 H new ATOM 0 HZ1 LYS A 204 8.089 -11.771 -3.154 1.00 15.00 H new ATOM 0 HZ2 LYS A 204 7.480 -10.957 -1.793 1.00 15.00 H new ATOM 0 HZ3 LYS A 204 7.389 -10.233 -3.326 1.00 15.00 H new ATOM 562 N ALA A 205 11.705 -4.985 -3.469 1.00 15.00 N ATOM 563 CA ALA A 205 12.074 -4.975 -4.876 1.00 15.00 C ATOM 564 C ALA A 205 13.409 -4.272 -5.080 1.00 15.00 C ATOM 565 O ALA A 205 14.456 -4.956 -5.032 1.00 15.00 O ATOM 566 CB ALA A 205 10.986 -4.309 -5.707 1.00 15.00 C ATOM 567 OXT ALA A 205 13.411 -3.041 -5.292 1.00 15.00 O ATOM 0 H ALA A 205 11.152 -4.181 -3.172 1.00 15.00 H new ATOM 0 HA ALA A 205 12.180 -6.008 -5.209 1.00 15.00 H new ATOM 0 HB1 ALA A 205 11.278 -4.310 -6.757 1.00 15.00 H new ATOM 0 HB2 ALA A 205 10.052 -4.858 -5.590 1.00 15.00 H new ATOM 0 HB3 ALA A 205 10.848 -3.282 -5.370 1.00 15.00 H new TER 573 ALA A 205 ATOM 574 N GLY B 204 -2.502 -15.670 -4.819 1.00 15.00 N ATOM 575 CA GLY B 204 -3.922 -15.337 -5.079 1.00 15.00 C ATOM 576 C GLY B 204 -4.521 -14.517 -3.955 1.00 15.00 C ATOM 577 O GLY B 204 -5.159 -15.060 -3.051 1.00 15.00 O ATOM 0 HA2 GLY B 204 -4.000 -14.783 -6.015 1.00 15.00 H new ATOM 0 HA3 GLY B 204 -4.494 -16.256 -5.204 1.00 15.00 H new ATOM 583 N GLU B 205 -4.322 -13.208 -4.011 1.00 15.00 N ATOM 584 CA GLU B 205 -4.831 -12.310 -2.985 1.00 15.00 C ATOM 585 C GLU B 205 -6.226 -11.845 -3.367 1.00 15.00 C ATOM 586 O GLU B 205 -6.547 -11.707 -4.546 1.00 15.00 O ATOM 587 CB GLU B 205 -3.928 -11.082 -2.809 1.00 15.00 C ATOM 588 CG GLU B 205 -2.447 -11.383 -2.615 1.00 15.00 C ATOM 589 CD GLU B 205 -2.178 -12.480 -1.605 1.00 15.00 C ATOM 590 OE1 GLU B 205 -2.097 -12.177 -0.397 1.00 15.00 O1- ATOM 591 OE2 GLU B 205 -2.022 -13.647 -2.023 1.00 15.00 O ATOM 0 H GLU B 205 -3.809 -12.743 -4.760 1.00 15.00 H new ATOM 0 HA GLU B 205 -4.853 -12.858 -2.043 1.00 15.00 H new ATOM 0 HB2 GLU B 205 -4.040 -10.441 -3.684 1.00 15.00 H new ATOM 0 HB3 GLU B 205 -4.281 -10.512 -1.950 1.00 15.00 H new ATOM 0 HG2 GLU B 205 -2.014 -11.669 -3.574 1.00 15.00 H new ATOM 0 HG3 GLU B 205 -1.939 -10.473 -2.295 1.00 15.00 H new ATOM 598 N SER B 206 -7.036 -11.563 -2.370 1.00 15.00 N ATOM 599 CA SER B 206 -8.378 -11.068 -2.605 1.00 15.00 C ATOM 600 C SER B 206 -8.311 -9.546 -2.675 1.00 15.00 C ATOM 601 O SER B 206 -7.455 -8.947 -2.029 1.00 15.00 O ATOM 602 CB SER B 206 -9.299 -11.527 -1.469 1.00 15.00 C ATOM 603 OG SER B 206 -9.355 -12.946 -1.403 1.00 15.00 O ATOM 0 H SER B 206 -6.789 -11.668 -1.386 1.00 15.00 H new ATOM 0 HA SER B 206 -8.780 -11.457 -3.540 1.00 15.00 H new ATOM 0 HB2 SER B 206 -8.939 -11.129 -0.520 1.00 15.00 H new ATOM 0 HB3 SER B 206 -10.301 -11.126 -1.623 1.00 15.00 H new ATOM 0 HG SER B 206 -9.947 -13.216 -0.670 1.00 15.00 H new ATOM 609 N PRO B 207 -9.211 -8.905 -3.448 1.00 15.00 N ATOM 610 CA PRO B 207 -9.065 -7.495 -3.851 1.00 15.00 C ATOM 611 C PRO B 207 -8.725 -6.567 -2.690 1.00 15.00 C ATOM 612 O PRO B 207 -9.354 -6.616 -1.630 1.00 15.00 O ATOM 613 CB PRO B 207 -10.444 -7.153 -4.413 1.00 15.00 C ATOM 614 CG PRO B 207 -10.965 -8.446 -4.929 1.00 15.00 C ATOM 615 CD PRO B 207 -10.445 -9.502 -3.994 1.00 15.00 C ATOM 0 HA PRO B 207 -8.243 -7.364 -4.555 1.00 15.00 H new ATOM 0 HB2 PRO B 207 -11.096 -6.741 -3.643 1.00 15.00 H new ATOM 0 HB3 PRO B 207 -10.376 -6.407 -5.205 1.00 15.00 H new ATOM 0 HG2 PRO B 207 -12.055 -8.447 -4.952 1.00 15.00 H new ATOM 0 HG3 PRO B 207 -10.625 -8.625 -5.949 1.00 15.00 H new ATOM 0 HD2 PRO B 207 -11.163 -9.729 -3.206 1.00 15.00 H new ATOM 0 HD3 PRO B 207 -10.241 -10.436 -4.518 1.00 15.00 H new ATOM 623 N PRO B 208 -7.737 -5.687 -2.902 1.00 15.00 N ATOM 624 CA PRO B 208 -7.131 -4.843 -1.892 1.00 15.00 C ATOM 625 C PRO B 208 -7.845 -3.486 -1.844 1.00 15.00 C ATOM 626 O PRO B 208 -8.820 -3.273 -2.574 1.00 15.00 O ATOM 627 CB PRO B 208 -5.668 -4.713 -2.417 1.00 15.00 C ATOM 628 CG PRO B 208 -5.690 -5.345 -3.783 1.00 15.00 C ATOM 629 CD PRO B 208 -7.125 -5.323 -4.167 1.00 15.00 C ATOM 0 HA PRO B 208 -7.186 -5.234 -0.876 1.00 15.00 H new ATOM 0 HB2 PRO B 208 -5.358 -3.669 -2.469 1.00 15.00 H new ATOM 0 HB3 PRO B 208 -4.965 -5.222 -1.757 1.00 15.00 H new ATOM 0 HG2 PRO B 208 -5.079 -4.786 -4.491 1.00 15.00 H new ATOM 0 HG3 PRO B 208 -5.299 -6.362 -3.758 1.00 15.00 H new ATOM 0 HD2 PRO B 208 -7.446 -4.342 -4.517 1.00 15.00 H new ATOM 0 HD3 PRO B 208 -7.354 -6.035 -4.960 1.00 15.00 H new ATOM 637 N PRO B 209 -7.406 -2.569 -0.972 1.00 15.00 N ATOM 638 CA PRO B 209 -7.999 -1.232 -0.830 1.00 15.00 C ATOM 639 C PRO B 209 -8.194 -0.504 -2.156 1.00 15.00 C ATOM 640 O PRO B 209 -7.328 -0.537 -3.031 1.00 15.00 O ATOM 641 CB PRO B 209 -6.941 -0.459 -0.035 1.00 15.00 C ATOM 642 CG PRO B 209 -5.761 -1.358 0.059 1.00 15.00 C ATOM 643 CD PRO B 209 -6.301 -2.746 -0.034 1.00 15.00 C ATOM 0 HA PRO B 209 -8.986 -1.305 -0.373 1.00 15.00 H new ATOM 0 HB2 PRO B 209 -6.682 0.474 -0.535 1.00 15.00 H new ATOM 0 HB3 PRO B 209 -7.312 -0.197 0.956 1.00 15.00 H new ATOM 0 HG2 PRO B 209 -5.052 -1.159 -0.745 1.00 15.00 H new ATOM 0 HG3 PRO B 209 -5.228 -1.207 0.998 1.00 15.00 H new ATOM 0 HD2 PRO B 209 -5.557 -3.451 -0.405 1.00 15.00 H new ATOM 0 HD3 PRO B 209 -6.640 -3.120 0.932 1.00 15.00 H new ATOM 651 N PRO B 210 -9.337 0.173 -2.304 1.00 15.00 N ATOM 652 CA PRO B 210 -9.587 1.067 -3.432 1.00 15.00 C ATOM 653 C PRO B 210 -8.591 2.221 -3.438 1.00 15.00 C ATOM 654 O PRO B 210 -8.376 2.865 -2.411 1.00 15.00 O ATOM 655 CB PRO B 210 -11.011 1.584 -3.183 1.00 15.00 C ATOM 656 CG PRO B 210 -11.614 0.622 -2.219 1.00 15.00 C ATOM 657 CD PRO B 210 -10.480 0.116 -1.380 1.00 15.00 C ATOM 0 HA PRO B 210 -9.480 0.568 -4.395 1.00 15.00 H new ATOM 0 HB2 PRO B 210 -10.997 2.594 -2.774 1.00 15.00 H new ATOM 0 HB3 PRO B 210 -11.583 1.623 -4.110 1.00 15.00 H new ATOM 0 HG2 PRO B 210 -12.369 1.109 -1.602 1.00 15.00 H new ATOM 0 HG3 PRO B 210 -12.109 -0.197 -2.742 1.00 15.00 H new ATOM 0 HD2 PRO B 210 -10.319 0.739 -0.500 1.00 15.00 H new ATOM 0 HD3 PRO B 210 -10.662 -0.898 -1.024 1.00 15.00 H new ATOM 665 N TYR B 211 -7.991 2.485 -4.591 1.00 15.00 N ATOM 666 CA TYR B 211 -6.983 3.536 -4.708 1.00 15.00 C ATOM 667 C TYR B 211 -7.589 4.936 -4.513 1.00 15.00 C ATOM 668 O TYR B 211 -6.859 5.910 -4.330 1.00 15.00 O ATOM 669 CB TYR B 211 -6.237 3.466 -6.063 1.00 15.00 C ATOM 670 CG TYR B 211 -5.350 4.670 -6.281 1.00 15.00 C ATOM 671 CD1 TYR B 211 -4.084 4.725 -5.724 1.00 15.00 C ATOM 672 CD2 TYR B 211 -5.807 5.780 -6.987 1.00 15.00 C ATOM 673 CE1 TYR B 211 -3.295 5.846 -5.856 1.00 15.00 C ATOM 674 CE2 TYR B 211 -5.018 6.902 -7.134 1.00 15.00 C ATOM 675 CZ TYR B 211 -3.766 6.930 -6.562 1.00 15.00 C ATOM 676 OH TYR B 211 -2.983 8.052 -6.687 1.00 15.00 O ATOM 0 H TYR B 211 -8.183 1.987 -5.460 1.00 15.00 H new ATOM 0 HA TYR B 211 -6.263 3.362 -3.909 1.00 15.00 H new ATOM 0 HB2 TYR B 211 -5.633 2.559 -6.099 1.00 15.00 H new ATOM 0 HB3 TYR B 211 -6.962 3.398 -6.874 1.00 15.00 H new ATOM 0 HD1 TYR B 211 -3.708 3.874 -5.176 1.00 15.00 H new ATOM 0 HD2 TYR B 211 -6.794 5.762 -7.426 1.00 15.00 H new ATOM 0 HE1 TYR B 211 -2.313 5.875 -5.408 1.00 15.00 H new ATOM 0 HE2 TYR B 211 -5.380 7.752 -7.694 1.00 15.00 H new ATOM 0 HH TYR B 211 -3.459 8.726 -7.215 1.00 15.00 H new ATOM 686 N SER B 212 -8.914 5.031 -4.470 1.00 15.00 N ATOM 687 CA SER B 212 -9.591 6.297 -4.724 1.00 15.00 C ATOM 688 C SER B 212 -9.154 7.389 -3.739 1.00 15.00 C ATOM 689 O SER B 212 -8.507 8.352 -4.163 1.00 15.00 O ATOM 690 CB SER B 212 -11.101 6.081 -4.668 1.00 15.00 C ATOM 691 OG SER B 212 -11.494 5.064 -5.577 1.00 15.00 O ATOM 0 H SER B 212 -9.537 4.251 -4.263 1.00 15.00 H new ATOM 0 HA SER B 212 -9.311 6.645 -5.718 1.00 15.00 H new ATOM 0 HB2 SER B 212 -11.397 5.806 -3.656 1.00 15.00 H new ATOM 0 HB3 SER B 212 -11.616 7.011 -4.909 1.00 15.00 H new ATOM 0 HG SER B 212 -12.464 4.937 -5.527 1.00 15.00 H new ATOM 697 N ARG B 213 -9.477 7.289 -2.457 1.00 15.00 N ATOM 698 CA ARG B 213 -8.864 8.214 -1.510 1.00 15.00 C ATOM 699 C ARG B 213 -8.064 7.482 -0.436 1.00 15.00 C ATOM 700 O ARG B 213 -6.832 7.503 -0.448 1.00 15.00 O ATOM 701 CB ARG B 213 -9.936 9.072 -0.830 1.00 15.00 C ATOM 702 CG ARG B 213 -10.682 10.021 -1.756 1.00 15.00 C ATOM 703 CD ARG B 213 -9.791 11.146 -2.266 1.00 15.00 C ATOM 704 NE ARG B 213 -10.587 12.225 -2.854 1.00 15.00 N ATOM 705 CZ ARG B 213 -10.092 13.377 -3.305 1.00 15.00 C ATOM 706 NH1 ARG B 213 -8.780 13.585 -3.333 1.00 15.00 N1+ ATOM 707 NH2 ARG B 213 -10.919 14.319 -3.744 1.00 15.00 N ATOM 0 H ARG B 213 -10.128 6.612 -2.060 1.00 15.00 H new ATOM 0 HA ARG B 213 -8.183 8.847 -2.080 1.00 15.00 H new ATOM 0 HB2 ARG B 213 -10.659 8.412 -0.352 1.00 15.00 H new ATOM 0 HB3 ARG B 213 -9.465 9.655 -0.039 1.00 15.00 H new ATOM 0 HG2 ARG B 213 -11.079 9.462 -2.603 1.00 15.00 H new ATOM 0 HG3 ARG B 213 -11.535 10.447 -1.227 1.00 15.00 H new ATOM 0 HD2 ARG B 213 -9.191 11.539 -1.445 1.00 15.00 H new ATOM 0 HD3 ARG B 213 -9.097 10.755 -3.010 1.00 15.00 H new ATOM 0 HE ARG B 213 -11.595 12.084 -2.924 1.00 15.00 H new ATOM 0 HH11 ARG B 213 -8.142 12.859 -3.007 1.00 15.00 H new ATOM 0 HH12 ARG B 213 -8.411 14.470 -3.680 1.00 15.00 H new ATOM 0 HH21 ARG B 213 -11.926 14.158 -3.735 1.00 15.00 H new ATOM 0 HH22 ARG B 213 -10.547 15.203 -4.091 1.00 15.00 H new ATOM 721 N TYR B 214 -8.769 6.811 0.469 1.00 15.00 N ATOM 722 CA TYR B 214 -8.139 6.089 1.572 1.00 15.00 C ATOM 723 C TYR B 214 -8.493 4.607 1.531 1.00 15.00 C ATOM 724 O TYR B 214 -9.649 4.256 1.296 1.00 15.00 O ATOM 725 CB TYR B 214 -8.546 6.708 2.920 1.00 15.00 C ATOM 726 CG TYR B 214 -7.851 8.026 3.236 1.00 15.00 C ATOM 727 CD1 TYR B 214 -7.534 8.928 2.230 1.00 15.00 C ATOM 728 CD2 TYR B 214 -7.513 8.364 4.541 1.00 15.00 C ATOM 729 CE1 TYR B 214 -6.906 10.121 2.503 1.00 15.00 C ATOM 730 CE2 TYR B 214 -6.881 9.564 4.826 1.00 15.00 C ATOM 731 CZ TYR B 214 -6.580 10.438 3.800 1.00 15.00 C ATOM 732 OH TYR B 214 -5.957 11.634 4.070 1.00 15.00 O ATOM 0 H TYR B 214 -9.787 6.751 0.460 1.00 15.00 H new ATOM 0 HA TYR B 214 -7.058 6.177 1.462 1.00 15.00 H new ATOM 0 HB2 TYR B 214 -9.624 6.869 2.923 1.00 15.00 H new ATOM 0 HB3 TYR B 214 -8.328 5.995 3.715 1.00 15.00 H new ATOM 0 HD1 TYR B 214 -7.787 8.687 1.208 1.00 15.00 H new ATOM 0 HD2 TYR B 214 -7.746 7.681 5.345 1.00 15.00 H new ATOM 0 HE1 TYR B 214 -6.670 10.806 1.702 1.00 15.00 H new ATOM 0 HE2 TYR B 214 -6.625 9.814 5.845 1.00 15.00 H new ATOM 0 HH TYR B 214 -5.795 11.708 5.034 1.00 15.00 H new ATOM 742 N PRO B 215 -7.512 3.719 1.775 1.00 15.00 N ATOM 743 CA PRO B 215 -7.759 2.275 1.858 1.00 15.00 C ATOM 744 C PRO B 215 -8.724 1.910 2.976 1.00 15.00 C ATOM 745 O PRO B 215 -9.796 1.359 2.735 1.00 15.00 O ATOM 746 CB PRO B 215 -6.379 1.681 2.153 1.00 15.00 C ATOM 747 CG PRO B 215 -5.415 2.722 1.718 1.00 15.00 C ATOM 748 CD PRO B 215 -6.090 4.041 1.959 1.00 15.00 C ATOM 0 HA PRO B 215 -8.217 1.901 0.942 1.00 15.00 H new ATOM 0 HB2 PRO B 215 -6.265 1.455 3.213 1.00 15.00 H new ATOM 0 HB3 PRO B 215 -6.226 0.749 1.610 1.00 15.00 H new ATOM 0 HG2 PRO B 215 -4.485 2.652 2.282 1.00 15.00 H new ATOM 0 HG3 PRO B 215 -5.160 2.601 0.665 1.00 15.00 H new ATOM 0 HD2 PRO B 215 -5.888 4.421 2.960 1.00 15.00 H new ATOM 0 HD3 PRO B 215 -5.753 4.802 1.255 1.00 15.00 H new ATOM 756 N MET B 216 -8.337 2.226 4.202 1.00 15.00 N ATOM 757 CA MET B 216 -9.154 1.903 5.355 1.00 15.00 C ATOM 758 C MET B 216 -9.364 3.138 6.209 1.00 15.00 C ATOM 759 O MET B 216 -8.439 3.925 6.422 1.00 15.00 O ATOM 760 CB MET B 216 -8.502 0.810 6.198 1.00 15.00 C ATOM 761 CG MET B 216 -9.381 0.369 7.352 1.00 15.00 C ATOM 762 SD MET B 216 -10.835 -0.540 6.796 1.00 15.00 S ATOM 763 CE MET B 216 -11.679 -0.797 8.352 1.00 15.00 C ATOM 0 H MET B 216 -7.464 2.705 4.421 1.00 15.00 H new ATOM 0 HA MET B 216 -10.116 1.540 4.994 1.00 15.00 H new ATOM 0 HB2 MET B 216 -8.280 -0.049 5.565 1.00 15.00 H new ATOM 0 HB3 MET B 216 -7.551 1.174 6.587 1.00 15.00 H new ATOM 0 HG2 MET B 216 -8.801 -0.258 8.029 1.00 15.00 H new ATOM 0 HG3 MET B 216 -9.697 1.244 7.920 1.00 15.00 H new ATOM 0 HE1 MET B 216 -12.603 -1.349 8.178 1.00 15.00 H new ATOM 0 HE2 MET B 216 -11.037 -1.367 9.024 1.00 15.00 H new ATOM 0 HE3 MET B 216 -11.912 0.167 8.803 1.00 15.00 H new ATOM 773 N ASP B 217 -10.568 3.285 6.721 1.00 15.00 N ATOM 774 CA ASP B 217 -10.922 4.451 7.498 1.00 15.00 C ATOM 775 C ASP B 217 -11.067 4.083 8.968 1.00 15.00 C ATOM 776 O ASP B 217 -10.403 4.733 9.802 1.00 15.00 O ATOM 777 CB ASP B 217 -12.203 5.077 6.947 1.00 15.00 C ATOM 778 CG ASP B 217 -13.446 4.247 7.198 1.00 15.00 C ATOM 779 OD1 ASP B 217 -13.545 3.128 6.652 1.00 15.00 O ATOM 780 OD2 ASP B 217 -14.347 4.729 7.915 1.00 15.00 O1- ATOM 781 OXT ASP B 217 -11.790 3.115 9.279 1.00 15.00 O ATOM 0 H ASP B 217 -11.321 2.606 6.611 1.00 15.00 H new ATOM 0 HA ASP B 217 -10.125 5.191 7.420 1.00 15.00 H new ATOM 0 HB2 ASP B 217 -12.338 6.061 7.396 1.00 15.00 H new ATOM 0 HB3 ASP B 217 -12.090 5.229 5.874 1.00 15.00 H new TER 786 ASP B 217