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= -0.462 K(o=-0.46,f=-8.1!) USER MOD Set 1.2: A 204 LYS NZ :NH3+ -114:sc= 0.00227 (180deg=0) USER MOD Set 2.1: A 191 ASN : amide:sc= 0.0234 K(o=0.37,f=-5.1!) USER MOD Set 2.2: A 198 THR OG1 : rot 124:sc= 0.343 USER MOD Set 3.1: A 182 THR OG1 : rot -62:sc= -2.3! USER MOD Set 3.2: A 186 GLN :FLIP amide:sc= -0.29 F(o=-3.4!,f=-2.6) USER MOD Single : A 179 MET CE :methyl 172:sc= -5.09! (180deg=-5.36!) USER MOD Single : A 181 LYS NZ :NH3+ 162:sc= -0.0356 (180deg=-0.257) USER MOD Single : A 183 SER OG : rot 180:sc= 0 USER MOD Single : A 184 SER OG : rot -34:sc= 0.0547 USER MOD Single : A 188 TYR OH : rot 180:sc= -0.826 USER MOD Single : A 192 HIS : no HD1:sc= -1.88! C(o=-1.9!,f=-5.7!) USER MOD Single : A 195 GLN : amide:sc= 0 K(o=0,f=-0.53) USER MOD Single : A 196 THR OG1 : rot 180:sc= -0.671 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 11.564 7.448 7.210 1.00 15.00 N ATOM 2 CA ASP A 170 11.621 7.644 5.743 1.00 15.00 C ATOM 3 C ASP A 170 12.127 6.393 5.023 1.00 15.00 C ATOM 4 O ASP A 170 11.659 6.072 3.933 1.00 15.00 O ATOM 5 CB ASP A 170 12.497 8.854 5.387 1.00 15.00 C ATOM 6 CG ASP A 170 13.909 8.761 5.943 1.00 15.00 C ATOM 7 OD1 ASP A 170 14.170 7.884 6.796 1.00 15.00 O1- ATOM 8 OD2 ASP A 170 14.761 9.579 5.540 1.00 15.00 O ATOM 0 HA ASP A 170 10.603 7.835 5.403 1.00 15.00 H new ATOM 0 HB2 ASP A 170 12.547 8.951 4.302 1.00 15.00 H new ATOM 0 HB3 ASP A 170 12.024 9.760 5.766 1.00 15.00 H new ATOM 15 N VAL A 171 13.102 5.702 5.608 1.00 15.00 N ATOM 16 CA VAL A 171 13.632 4.490 4.995 1.00 15.00 C ATOM 17 C VAL A 171 12.759 3.235 5.224 1.00 15.00 C ATOM 18 O VAL A 171 12.767 2.343 4.374 1.00 15.00 O ATOM 19 CB VAL A 171 15.112 4.210 5.377 1.00 15.00 C ATOM 20 CG1 VAL A 171 16.008 5.318 4.844 1.00 15.00 C ATOM 21 CG2 VAL A 171 15.310 4.052 6.879 1.00 15.00 C ATOM 0 H VAL A 171 13.536 5.957 6.495 1.00 15.00 H new ATOM 0 HA VAL A 171 13.600 4.701 3.926 1.00 15.00 H new ATOM 0 HB VAL A 171 15.387 3.261 4.917 1.00 15.00 H new ATOM 0 HG11 VAL A 171 17.043 5.112 5.117 1.00 15.00 H new ATOM 0 HG12 VAL A 171 15.922 5.365 3.758 1.00 15.00 H new ATOM 0 HG13 VAL A 171 15.702 6.272 5.274 1.00 15.00 H new ATOM 0 HG21 VAL A 171 16.362 3.858 7.089 1.00 15.00 H new ATOM 0 HG22 VAL A 171 15.002 4.967 7.385 1.00 15.00 H new ATOM 0 HG23 VAL A 171 14.708 3.218 7.240 1.00 15.00 H new ATOM 31 N PRO A 172 11.991 3.095 6.345 1.00 15.00 N ATOM 32 CA PRO A 172 11.119 1.936 6.526 1.00 15.00 C ATOM 33 C PRO A 172 9.816 2.087 5.749 1.00 15.00 C ATOM 34 O PRO A 172 9.113 1.112 5.496 1.00 15.00 O ATOM 35 CB PRO A 172 10.852 1.892 8.041 1.00 15.00 C ATOM 36 CG PRO A 172 11.664 3.003 8.625 1.00 15.00 C ATOM 37 CD PRO A 172 11.875 3.983 7.509 1.00 15.00 C ATOM 0 HA PRO A 172 11.577 1.020 6.154 1.00 15.00 H new ATOM 0 HB2 PRO A 172 9.792 2.026 8.256 1.00 15.00 H new ATOM 0 HB3 PRO A 172 11.143 0.930 8.463 1.00 15.00 H new ATOM 0 HG2 PRO A 172 11.144 3.469 9.462 1.00 15.00 H new ATOM 0 HG3 PRO A 172 12.616 2.633 9.006 1.00 15.00 H new ATOM 0 HD2 PRO A 172 11.040 4.677 7.412 1.00 15.00 H new ATOM 0 HD3 PRO A 172 12.773 4.583 7.656 1.00 15.00 H new ATOM 45 N LEU A 173 9.492 3.327 5.396 1.00 15.00 N ATOM 46 CA LEU A 173 8.283 3.630 4.644 1.00 15.00 C ATOM 47 C LEU A 173 8.578 4.702 3.598 1.00 15.00 C ATOM 48 O LEU A 173 8.751 5.872 3.939 1.00 15.00 O ATOM 49 CB LEU A 173 7.163 4.120 5.574 1.00 15.00 C ATOM 50 CG LEU A 173 6.730 3.156 6.690 1.00 15.00 C ATOM 51 CD1 LEU A 173 5.721 3.835 7.600 1.00 15.00 C ATOM 52 CD2 LEU A 173 6.133 1.876 6.116 1.00 15.00 C ATOM 0 H LEU A 173 10.058 4.145 5.623 1.00 15.00 H new ATOM 0 HA LEU A 173 7.952 2.715 4.153 1.00 15.00 H new ATOM 0 HB2 LEU A 173 7.486 5.053 6.035 1.00 15.00 H new ATOM 0 HB3 LEU A 173 6.289 4.351 4.964 1.00 15.00 H new ATOM 0 HG LEU A 173 7.616 2.888 7.266 1.00 15.00 H new ATOM 0 HD11 LEU A 173 5.419 3.145 8.388 1.00 15.00 H new ATOM 0 HD12 LEU A 173 6.172 4.721 8.047 1.00 15.00 H new ATOM 0 HD13 LEU A 173 4.846 4.127 7.019 1.00 15.00 H new ATOM 0 HD21 LEU A 173 5.837 1.215 6.931 1.00 15.00 H new ATOM 0 HD22 LEU A 173 5.260 2.121 5.512 1.00 15.00 H new ATOM 0 HD23 LEU A 173 6.875 1.375 5.494 1.00 15.00 H new ATOM 64 N PRO A 174 8.692 4.302 2.321 1.00 15.00 N ATOM 65 CA PRO A 174 8.949 5.229 1.208 1.00 15.00 C ATOM 66 C PRO A 174 7.909 6.350 1.124 1.00 15.00 C ATOM 67 O PRO A 174 6.744 6.162 1.476 1.00 15.00 O ATOM 68 CB PRO A 174 8.868 4.330 -0.029 1.00 15.00 C ATOM 69 CG PRO A 174 9.160 2.961 0.475 1.00 15.00 C ATOM 70 CD PRO A 174 8.595 2.907 1.861 1.00 15.00 C ATOM 0 HA PRO A 174 9.905 5.741 1.320 1.00 15.00 H new ATOM 0 HB2 PRO A 174 7.881 4.380 -0.490 1.00 15.00 H new ATOM 0 HB3 PRO A 174 9.590 4.635 -0.787 1.00 15.00 H new ATOM 0 HG2 PRO A 174 8.704 2.204 -0.163 1.00 15.00 H new ATOM 0 HG3 PRO A 174 10.233 2.768 0.482 1.00 15.00 H new ATOM 0 HD2 PRO A 174 7.564 2.554 1.861 1.00 15.00 H new ATOM 0 HD3 PRO A 174 9.163 2.232 2.501 1.00 15.00 H new ATOM 78 N ALA A 175 8.330 7.501 0.611 1.00 15.00 N ATOM 79 CA ALA A 175 7.463 8.668 0.548 1.00 15.00 C ATOM 80 C ALA A 175 6.678 8.692 -0.758 1.00 15.00 C ATOM 81 O ALA A 175 7.220 8.408 -1.829 1.00 15.00 O ATOM 82 CB ALA A 175 8.284 9.939 0.702 1.00 15.00 C ATOM 0 H ALA A 175 9.266 7.649 0.233 1.00 15.00 H new ATOM 0 HA ALA A 175 6.748 8.611 1.369 1.00 15.00 H new ATOM 0 HB1 ALA A 175 7.625 10.806 0.653 1.00 15.00 H new ATOM 0 HB2 ALA A 175 8.797 9.927 1.664 1.00 15.00 H new ATOM 0 HB3 ALA A 175 9.019 9.997 -0.101 1.00 15.00 H new ATOM 88 N GLY A 176 5.407 9.052 -0.657 1.00 15.00 N ATOM 89 CA GLY A 176 4.510 8.989 -1.793 1.00 15.00 C ATOM 90 C GLY A 176 3.830 7.640 -1.868 1.00 15.00 C ATOM 91 O GLY A 176 3.210 7.289 -2.876 1.00 15.00 O ATOM 0 H GLY A 176 4.976 9.391 0.203 1.00 15.00 H new ATOM 0 HA2 GLY A 176 3.759 9.775 -1.713 1.00 15.00 H new ATOM 0 HA3 GLY A 176 5.067 9.172 -2.712 1.00 15.00 H new ATOM 95 N TRP A 177 3.922 6.905 -0.770 1.00 15.00 N ATOM 96 CA TRP A 177 3.339 5.582 -0.667 1.00 15.00 C ATOM 97 C TRP A 177 2.392 5.529 0.527 1.00 15.00 C ATOM 98 O TRP A 177 2.650 6.137 1.566 1.00 15.00 O ATOM 99 CB TRP A 177 4.440 4.528 -0.503 1.00 15.00 C ATOM 100 CG TRP A 177 5.329 4.362 -1.701 1.00 15.00 C ATOM 101 CD1 TRP A 177 6.335 5.195 -2.098 1.00 15.00 C ATOM 102 CD2 TRP A 177 5.314 3.282 -2.642 1.00 15.00 C ATOM 103 NE1 TRP A 177 6.933 4.711 -3.234 1.00 15.00 N ATOM 104 CE2 TRP A 177 6.325 3.538 -3.589 1.00 15.00 C ATOM 105 CE3 TRP A 177 4.541 2.128 -2.781 1.00 15.00 C ATOM 106 CZ2 TRP A 177 6.581 2.679 -4.655 1.00 15.00 C ATOM 107 CZ3 TRP A 177 4.799 1.277 -3.836 1.00 15.00 C ATOM 108 CH2 TRP A 177 5.810 1.557 -4.761 1.00 15.00 C ATOM 0 H TRP A 177 4.404 7.212 0.074 1.00 15.00 H new ATOM 0 HA TRP A 177 2.782 5.370 -1.580 1.00 15.00 H new ATOM 0 HB2 TRP A 177 5.056 4.795 0.356 1.00 15.00 H new ATOM 0 HB3 TRP A 177 3.975 3.568 -0.276 1.00 15.00 H new ATOM 0 HD1 TRP A 177 6.619 6.105 -1.590 1.00 15.00 H new ATOM 0 HE1 TRP A 177 7.705 5.154 -3.733 1.00 15.00 H new ATOM 0 HE3 TRP A 177 3.755 1.905 -2.075 1.00 15.00 H new ATOM 0 HZ2 TRP A 177 7.361 2.892 -5.371 1.00 15.00 H new ATOM 0 HZ3 TRP A 177 4.210 0.379 -3.950 1.00 15.00 H new ATOM 0 HH2 TRP A 177 5.985 0.871 -5.577 1.00 15.00 H new ATOM 119 N GLU A 178 1.299 4.806 0.373 1.00 15.00 N ATOM 120 CA GLU A 178 0.340 4.624 1.447 1.00 15.00 C ATOM 121 C GLU A 178 0.643 3.317 2.164 1.00 15.00 C ATOM 122 O GLU A 178 0.500 2.243 1.581 1.00 15.00 O ATOM 123 CB GLU A 178 -1.084 4.614 0.894 1.00 15.00 C ATOM 124 CG GLU A 178 -2.149 4.693 1.969 1.00 15.00 C ATOM 125 CD GLU A 178 -2.165 6.046 2.648 1.00 15.00 C ATOM 126 OE1 GLU A 178 -1.364 6.262 3.580 1.00 15.00 O ATOM 127 OE2 GLU A 178 -2.962 6.907 2.231 1.00 15.00 O1- ATOM 0 H GLU A 178 1.051 4.331 -0.495 1.00 15.00 H new ATOM 0 HA GLU A 178 0.421 5.451 2.152 1.00 15.00 H new ATOM 0 HB2 GLU A 178 -1.206 5.454 0.210 1.00 15.00 H new ATOM 0 HB3 GLU A 178 -1.233 3.705 0.312 1.00 15.00 H new ATOM 0 HG2 GLU A 178 -3.126 4.497 1.527 1.00 15.00 H new ATOM 0 HG3 GLU A 178 -1.973 3.916 2.712 1.00 15.00 H new ATOM 134 N MET A 179 1.070 3.414 3.415 1.00 15.00 N ATOM 135 CA MET A 179 1.573 2.253 4.136 1.00 15.00 C ATOM 136 C MET A 179 0.580 1.793 5.189 1.00 15.00 C ATOM 137 O MET A 179 0.428 2.437 6.227 1.00 15.00 O ATOM 138 CB MET A 179 2.908 2.581 4.817 1.00 15.00 C ATOM 139 CG MET A 179 3.786 3.547 4.031 1.00 15.00 C ATOM 140 SD MET A 179 4.228 2.942 2.391 1.00 15.00 S ATOM 141 CE MET A 179 5.502 1.756 2.791 1.00 15.00 C ATOM 0 H MET A 179 1.078 4.282 3.951 1.00 15.00 H new ATOM 0 HA MET A 179 1.719 1.453 3.410 1.00 15.00 H new ATOM 0 HB2 MET A 179 2.707 3.007 5.800 1.00 15.00 H new ATOM 0 HB3 MET A 179 3.459 1.654 4.978 1.00 15.00 H new ATOM 0 HG2 MET A 179 3.266 4.499 3.931 1.00 15.00 H new ATOM 0 HG3 MET A 179 4.698 3.740 4.597 1.00 15.00 H new ATOM 0 HE1 MET A 179 5.773 1.197 1.895 1.00 15.00 H new ATOM 0 HE2 MET A 179 6.379 2.279 3.172 1.00 15.00 H new ATOM 0 HE3 MET A 179 5.132 1.067 3.550 1.00 15.00 H new ATOM 151 N ALA A 180 -0.101 0.685 4.928 1.00 15.00 N ATOM 152 CA ALA A 180 -1.015 0.123 5.911 1.00 15.00 C ATOM 153 C ALA A 180 -1.023 -1.394 5.837 1.00 15.00 C ATOM 154 O ALA A 180 -1.080 -1.978 4.753 1.00 15.00 O ATOM 155 CB ALA A 180 -2.418 0.679 5.734 1.00 15.00 C ATOM 0 H ALA A 180 -0.039 0.163 4.054 1.00 15.00 H new ATOM 0 HA ALA A 180 -0.661 0.413 6.900 1.00 15.00 H new ATOM 0 HB1 ALA A 180 -3.080 0.242 6.482 1.00 15.00 H new ATOM 0 HB2 ALA A 180 -2.398 1.762 5.856 1.00 15.00 H new ATOM 0 HB3 ALA A 180 -2.784 0.433 4.737 1.00 15.00 H new ATOM 161 N LYS A 181 -0.953 -2.024 6.995 1.00 15.00 N ATOM 162 CA LYS A 181 -0.894 -3.469 7.072 1.00 15.00 C ATOM 163 C LYS A 181 -2.089 -3.986 7.860 1.00 15.00 C ATOM 164 O LYS A 181 -2.309 -3.585 9.003 1.00 15.00 O ATOM 165 CB LYS A 181 0.415 -3.903 7.737 1.00 15.00 C ATOM 166 CG LYS A 181 1.626 -3.099 7.281 1.00 15.00 C ATOM 167 CD LYS A 181 2.922 -3.717 7.776 1.00 15.00 C ATOM 168 CE LYS A 181 4.085 -2.741 7.680 1.00 15.00 C ATOM 169 NZ LYS A 181 3.954 -1.623 8.655 1.00 15.00 N1+ ATOM 0 H LYS A 181 -0.936 -1.553 7.899 1.00 15.00 H new ATOM 0 HA LYS A 181 -0.926 -3.888 6.066 1.00 15.00 H new ATOM 0 HB2 LYS A 181 0.313 -3.808 8.818 1.00 15.00 H new ATOM 0 HB3 LYS A 181 0.589 -4.958 7.524 1.00 15.00 H new ATOM 0 HG2 LYS A 181 1.640 -3.045 6.192 1.00 15.00 H new ATOM 0 HG3 LYS A 181 1.545 -2.076 7.650 1.00 15.00 H new ATOM 0 HD2 LYS A 181 2.800 -4.037 8.811 1.00 15.00 H new ATOM 0 HD3 LYS A 181 3.146 -4.609 7.191 1.00 15.00 H new ATOM 0 HE2 LYS A 181 5.020 -3.272 7.860 1.00 15.00 H new ATOM 0 HE3 LYS A 181 4.137 -2.337 6.669 1.00 15.00 H new ATOM 0 HZ1 LYS A 181 4.877 -1.161 8.779 1.00 15.00 H new ATOM 0 HZ2 LYS A 181 3.265 -0.930 8.298 1.00 15.00 H new ATOM 0 HZ3 LYS A 181 3.628 -1.996 9.569 1.00 15.00 H new ATOM 183 N THR A 182 -2.847 -4.886 7.255 1.00 15.00 N ATOM 184 CA THR A 182 -4.085 -5.365 7.854 1.00 15.00 C ATOM 185 C THR A 182 -3.833 -6.585 8.734 1.00 15.00 C ATOM 186 O THR A 182 -2.977 -7.419 8.418 1.00 15.00 O ATOM 187 CB THR A 182 -5.113 -5.740 6.768 1.00 15.00 C ATOM 188 OG1 THR A 182 -4.557 -6.718 5.888 1.00 15.00 O ATOM 189 CG2 THR A 182 -5.533 -4.528 5.959 1.00 15.00 C ATOM 0 H THR A 182 -2.628 -5.301 6.349 1.00 15.00 H new ATOM 0 HA THR A 182 -4.481 -4.554 8.466 1.00 15.00 H new ATOM 0 HB THR A 182 -5.992 -6.144 7.270 1.00 15.00 H new ATOM 0 HG1 THR A 182 -3.772 -6.343 5.436 1.00 15.00 H new ATOM 0 HG21 THR A 182 -6.258 -4.829 5.203 1.00 15.00 H new ATOM 0 HG22 THR A 182 -5.984 -3.788 6.620 1.00 15.00 H new ATOM 0 HG23 THR A 182 -4.659 -4.095 5.472 1.00 15.00 H new ATOM 197 N SER A 183 -4.595 -6.692 9.824 1.00 15.00 N ATOM 198 CA SER A 183 -4.451 -7.790 10.774 1.00 15.00 C ATOM 199 C SER A 183 -4.805 -9.133 10.128 1.00 15.00 C ATOM 200 O SER A 183 -4.477 -10.191 10.663 1.00 15.00 O ATOM 201 CB SER A 183 -5.330 -7.542 12.003 1.00 15.00 C ATOM 202 OG SER A 183 -5.169 -8.558 12.982 1.00 15.00 O ATOM 0 H SER A 183 -5.324 -6.023 10.070 1.00 15.00 H new ATOM 0 HA SER A 183 -3.408 -7.834 11.086 1.00 15.00 H new ATOM 0 HB2 SER A 183 -5.080 -6.575 12.439 1.00 15.00 H new ATOM 0 HB3 SER A 183 -6.375 -7.494 11.698 1.00 15.00 H new ATOM 0 HG SER A 183 -5.744 -8.365 13.752 1.00 15.00 H new ATOM 208 N SER A 184 -5.491 -9.075 8.992 1.00 15.00 N ATOM 209 CA SER A 184 -5.793 -10.262 8.201 1.00 15.00 C ATOM 210 C SER A 184 -4.512 -10.839 7.595 1.00 15.00 C ATOM 211 O SER A 184 -4.491 -11.971 7.111 1.00 15.00 O ATOM 212 CB SER A 184 -6.808 -9.931 7.101 1.00 15.00 C ATOM 213 OG SER A 184 -7.278 -11.103 6.454 1.00 15.00 O ATOM 0 H SER A 184 -5.852 -8.208 8.595 1.00 15.00 H new ATOM 0 HA SER A 184 -6.232 -11.013 8.858 1.00 15.00 H new ATOM 0 HB2 SER A 184 -7.650 -9.391 7.533 1.00 15.00 H new ATOM 0 HB3 SER A 184 -6.347 -9.269 6.367 1.00 15.00 H new ATOM 0 HG SER A 184 -6.556 -11.764 6.409 1.00 15.00 H new ATOM 219 N GLY A 185 -3.447 -10.047 7.620 1.00 15.00 N ATOM 220 CA GLY A 185 -2.197 -10.441 7.002 1.00 15.00 C ATOM 221 C GLY A 185 -2.105 -10.002 5.559 1.00 15.00 C ATOM 222 O GLY A 185 -1.695 -10.766 4.683 1.00 15.00 O ATOM 0 H GLY A 185 -3.429 -9.128 8.063 1.00 15.00 H new ATOM 0 HA2 GLY A 185 -1.366 -10.013 7.563 1.00 15.00 H new ATOM 0 HA3 GLY A 185 -2.093 -11.525 7.057 1.00 15.00 H new ATOM 226 N GLN A 186 -2.497 -8.757 5.318 1.00 15.00 N ATOM 227 CA GLN A 186 -2.336 -8.133 4.009 1.00 15.00 C ATOM 228 C GLN A 186 -1.579 -6.823 4.155 1.00 15.00 C ATOM 229 O GLN A 186 -2.103 -5.856 4.714 1.00 15.00 O ATOM 230 CB GLN A 186 -3.691 -7.864 3.342 1.00 15.00 C ATOM 231 CG GLN A 186 -4.466 -9.122 2.991 1.00 15.00 C ATOM 232 CD GLN A 186 -5.971 -8.917 3.007 1.00 15.00 C ATOM 233 OE1 GLN A 186 -6.444 -8.039 3.879 1.00 15.00 O flip ATOM 234 NE2 GLN A 186 -6.705 -9.556 2.254 1.00 15.00 N flip ATOM 0 H GLN A 186 -2.932 -8.155 6.017 1.00 15.00 H new ATOM 0 HA GLN A 186 -1.776 -8.822 3.377 1.00 15.00 H new ATOM 0 HB2 GLN A 186 -4.297 -7.250 4.008 1.00 15.00 H new ATOM 0 HB3 GLN A 186 -3.529 -7.284 2.434 1.00 15.00 H new ATOM 0 HG2 GLN A 186 -4.162 -9.465 2.002 1.00 15.00 H new ATOM 0 HG3 GLN A 186 -4.205 -9.911 3.696 1.00 15.00 H new ATOM 0 HE21 GLN A 186 -6.303 -10.224 1.596 1.00 15.00 H new ATOM 0 HE22 GLN A 186 -7.715 -9.418 2.288 1.00 15.00 H new ATOM 243 N ARG A 187 -0.340 -6.805 3.694 1.00 15.00 N ATOM 244 CA ARG A 187 0.449 -5.587 3.703 1.00 15.00 C ATOM 245 C ARG A 187 0.396 -4.933 2.323 1.00 15.00 C ATOM 246 O ARG A 187 1.003 -5.424 1.373 1.00 15.00 O ATOM 247 CB ARG A 187 1.900 -5.868 4.125 1.00 15.00 C ATOM 248 CG ARG A 187 2.596 -6.947 3.311 1.00 15.00 C ATOM 249 CD ARG A 187 3.928 -7.341 3.931 1.00 15.00 C ATOM 250 NE ARG A 187 4.906 -6.249 3.936 1.00 15.00 N ATOM 251 CZ ARG A 187 5.609 -5.892 5.012 1.00 15.00 C ATOM 252 NH1 ARG A 187 5.322 -6.414 6.201 1.00 15.00 N1+ ATOM 253 NH2 ARG A 187 6.573 -4.984 4.909 1.00 15.00 N ATOM 0 H ARG A 187 0.140 -7.619 3.310 1.00 15.00 H new ATOM 0 HA ARG A 187 0.026 -4.900 4.437 1.00 15.00 H new ATOM 0 HB2 ARG A 187 2.473 -4.944 4.046 1.00 15.00 H new ATOM 0 HB3 ARG A 187 1.909 -6.160 5.175 1.00 15.00 H new ATOM 0 HG2 ARG A 187 1.952 -7.824 3.241 1.00 15.00 H new ATOM 0 HG3 ARG A 187 2.758 -6.589 2.294 1.00 15.00 H new ATOM 0 HD2 ARG A 187 3.761 -7.675 4.955 1.00 15.00 H new ATOM 0 HD3 ARG A 187 4.341 -8.188 3.383 1.00 15.00 H new ATOM 0 HE ARG A 187 5.057 -5.734 3.069 1.00 15.00 H new ATOM 0 HH11 ARG A 187 4.563 -7.089 6.292 1.00 15.00 H new ATOM 0 HH12 ARG A 187 5.861 -6.139 7.022 1.00 15.00 H new ATOM 0 HH21 ARG A 187 6.777 -4.558 4.005 1.00 15.00 H new ATOM 0 HH22 ARG A 187 7.109 -4.713 5.734 1.00 15.00 H new ATOM 267 N TYR A 188 -0.365 -3.857 2.194 1.00 15.00 N ATOM 268 CA TYR A 188 -0.515 -3.210 0.910 1.00 15.00 C ATOM 269 C TYR A 188 0.122 -1.835 0.932 1.00 15.00 C ATOM 270 O TYR A 188 0.176 -1.167 1.975 1.00 15.00 O ATOM 271 CB TYR A 188 -1.994 -3.118 0.507 1.00 15.00 C ATOM 272 CG TYR A 188 -2.879 -2.382 1.492 1.00 15.00 C ATOM 273 CD1 TYR A 188 -2.739 -1.016 1.709 1.00 15.00 C ATOM 274 CD2 TYR A 188 -3.871 -3.056 2.190 1.00 15.00 C ATOM 275 CE1 TYR A 188 -3.554 -0.348 2.596 1.00 15.00 C ATOM 276 CE2 TYR A 188 -4.693 -2.389 3.079 1.00 15.00 C ATOM 277 CZ TYR A 188 -4.529 -1.039 3.280 1.00 15.00 C ATOM 278 OH TYR A 188 -5.342 -0.381 4.171 1.00 15.00 O ATOM 0 H TYR A 188 -0.882 -3.421 2.958 1.00 15.00 H new ATOM 0 HA TYR A 188 -0.003 -3.816 0.163 1.00 15.00 H new ATOM 0 HB2 TYR A 188 -2.062 -2.622 -0.461 1.00 15.00 H new ATOM 0 HB3 TYR A 188 -2.383 -4.128 0.375 1.00 15.00 H new ATOM 0 HD1 TYR A 188 -1.978 -0.469 1.173 1.00 15.00 H new ATOM 0 HD2 TYR A 188 -4.003 -4.117 2.036 1.00 15.00 H new ATOM 0 HE1 TYR A 188 -3.429 0.713 2.754 1.00 15.00 H new ATOM 0 HE2 TYR A 188 -5.462 -2.927 3.614 1.00 15.00 H new ATOM 0 HH TYR A 188 -5.976 -1.016 4.566 1.00 15.00 H new ATOM 288 N PHE A 189 0.597 -1.418 -0.220 1.00 15.00 N ATOM 289 CA PHE A 189 1.198 -0.114 -0.363 1.00 15.00 C ATOM 290 C PHE A 189 0.603 0.590 -1.575 1.00 15.00 C ATOM 291 O PHE A 189 0.642 0.066 -2.683 1.00 15.00 O ATOM 292 CB PHE A 189 2.717 -0.247 -0.512 1.00 15.00 C ATOM 293 CG PHE A 189 3.353 -1.104 0.547 1.00 15.00 C ATOM 294 CD1 PHE A 189 3.498 -0.632 1.837 1.00 15.00 C ATOM 295 CD2 PHE A 189 3.800 -2.381 0.253 1.00 15.00 C ATOM 296 CE1 PHE A 189 4.079 -1.411 2.817 1.00 15.00 C ATOM 297 CE2 PHE A 189 4.381 -3.165 1.228 1.00 15.00 C ATOM 298 CZ PHE A 189 4.520 -2.679 2.513 1.00 15.00 C ATOM 0 H PHE A 189 0.577 -1.970 -1.078 1.00 15.00 H new ATOM 0 HA PHE A 189 0.991 0.479 0.528 1.00 15.00 H new ATOM 0 HB2 PHE A 189 2.942 -0.668 -1.492 1.00 15.00 H new ATOM 0 HB3 PHE A 189 3.165 0.746 -0.481 1.00 15.00 H new ATOM 0 HD1 PHE A 189 3.152 0.361 2.082 1.00 15.00 H new ATOM 0 HD2 PHE A 189 3.693 -2.767 -0.750 1.00 15.00 H new ATOM 0 HE1 PHE A 189 4.187 -1.026 3.820 1.00 15.00 H new ATOM 0 HE2 PHE A 189 4.727 -4.159 0.986 1.00 15.00 H new ATOM 0 HZ PHE A 189 4.974 -3.292 3.278 1.00 15.00 H new ATOM 308 N LEU A 190 0.044 1.768 -1.363 1.00 15.00 N ATOM 309 CA LEU A 190 -0.502 2.550 -2.465 1.00 15.00 C ATOM 310 C LEU A 190 0.555 3.461 -3.055 1.00 15.00 C ATOM 311 O LEU A 190 1.293 4.105 -2.323 1.00 15.00 O ATOM 312 CB LEU A 190 -1.647 3.460 -2.016 1.00 15.00 C ATOM 313 CG LEU A 190 -3.069 2.914 -2.069 1.00 15.00 C ATOM 314 CD1 LEU A 190 -4.027 4.089 -2.211 1.00 15.00 C ATOM 315 CD2 LEU A 190 -3.251 1.948 -3.231 1.00 15.00 C ATOM 0 H LEU A 190 -0.045 2.205 -0.445 1.00 15.00 H new ATOM 0 HA LEU A 190 -0.859 1.822 -3.193 1.00 15.00 H new ATOM 0 HB2 LEU A 190 -1.446 3.764 -0.989 1.00 15.00 H new ATOM 0 HB3 LEU A 190 -1.614 4.362 -2.628 1.00 15.00 H new ATOM 0 HG LEU A 190 -3.275 2.362 -1.152 1.00 15.00 H new ATOM 0 HD11 LEU A 190 -5.052 3.720 -2.251 1.00 15.00 H new ATOM 0 HD12 LEU A 190 -3.914 4.756 -1.356 1.00 15.00 H new ATOM 0 HD13 LEU A 190 -3.801 4.634 -3.128 1.00 15.00 H new ATOM 0 HD21 LEU A 190 -4.276 1.578 -3.239 1.00 15.00 H new ATOM 0 HD22 LEU A 190 -3.044 2.464 -4.169 1.00 15.00 H new ATOM 0 HD23 LEU A 190 -2.563 1.110 -3.118 1.00 15.00 H new ATOM 327 N ASN A 191 0.606 3.569 -4.365 1.00 15.00 N ATOM 328 CA ASN A 191 1.358 4.636 -4.963 1.00 15.00 C ATOM 329 C ASN A 191 0.418 5.809 -5.126 1.00 15.00 C ATOM 330 O ASN A 191 -0.388 5.826 -6.063 1.00 15.00 O ATOM 331 CB ASN A 191 1.947 4.253 -6.323 1.00 15.00 C ATOM 332 CG ASN A 191 2.829 3.018 -6.285 1.00 15.00 C ATOM 333 OD1 ASN A 191 2.566 2.068 -5.549 1.00 15.00 O ATOM 334 ND2 ASN A 191 3.880 3.025 -7.089 1.00 15.00 N ATOM 0 H ASN A 191 0.143 2.941 -5.021 1.00 15.00 H new ATOM 0 HA ASN A 191 2.203 4.878 -4.319 1.00 15.00 H new ATOM 0 HB2 ASN A 191 1.132 4.084 -7.026 1.00 15.00 H new ATOM 0 HB3 ASN A 191 2.529 5.092 -6.705 1.00 15.00 H new ATOM 0 HD21 ASN A 191 4.508 2.222 -7.114 1.00 15.00 H new ATOM 0 HD22 ASN A 191 4.062 3.834 -7.684 1.00 15.00 H new ATOM 341 N HIS A 192 0.486 6.754 -4.176 1.00 15.00 N ATOM 342 CA HIS A 192 -0.388 7.936 -4.181 1.00 15.00 C ATOM 343 C HIS A 192 -0.048 8.841 -5.359 1.00 15.00 C ATOM 344 O HIS A 192 -0.722 9.836 -5.612 1.00 15.00 O ATOM 345 CB HIS A 192 -0.276 8.727 -2.868 1.00 15.00 C ATOM 346 CG HIS A 192 -1.375 8.447 -1.873 1.00 15.00 C ATOM 347 ND1 HIS A 192 -2.549 9.168 -1.810 1.00 15.00 N ATOM 348 CD2 HIS A 192 -1.459 7.529 -0.882 1.00 15.00 C ATOM 349 CE1 HIS A 192 -3.299 8.709 -0.830 1.00 15.00 C ATOM 350 NE2 HIS A 192 -2.666 7.715 -0.246 1.00 15.00 N ATOM 0 H HIS A 192 1.139 6.722 -3.393 1.00 15.00 H new ATOM 0 HA HIS A 192 -1.415 7.585 -4.279 1.00 15.00 H new ATOM 0 HB2 HIS A 192 0.684 8.501 -2.403 1.00 15.00 H new ATOM 0 HB3 HIS A 192 -0.275 9.792 -3.099 1.00 15.00 H new ATOM 0 HD2 HIS A 192 -0.715 6.786 -0.635 1.00 15.00 H new ATOM 0 HE1 HIS A 192 -4.272 9.086 -0.552 1.00 15.00 H new ATOM 0 HE2 HIS A 192 -3.011 7.173 0.546 1.00 15.00 H new ATOM 359 N ILE A 193 1.021 8.493 -6.059 1.00 15.00 N ATOM 360 CA ILE A 193 1.435 9.219 -7.245 1.00 15.00 C ATOM 361 C ILE A 193 1.006 8.472 -8.510 1.00 15.00 C ATOM 362 O ILE A 193 0.511 9.075 -9.460 1.00 15.00 O ATOM 363 CB ILE A 193 2.969 9.422 -7.256 1.00 15.00 C ATOM 364 CG1 ILE A 193 3.415 10.122 -5.964 1.00 15.00 C ATOM 365 CG2 ILE A 193 3.398 10.226 -8.479 1.00 15.00 C ATOM 366 CD1 ILE A 193 4.918 10.208 -5.802 1.00 15.00 C ATOM 0 H ILE A 193 1.622 7.704 -5.821 1.00 15.00 H new ATOM 0 HA ILE A 193 0.950 10.195 -7.227 1.00 15.00 H new ATOM 0 HB ILE A 193 3.450 8.445 -7.309 1.00 15.00 H new ATOM 0 HG12 ILE A 193 2.999 11.129 -5.946 1.00 15.00 H new ATOM 0 HG13 ILE A 193 2.997 9.589 -5.110 1.00 15.00 H new ATOM 0 HG21 ILE A 193 4.480 10.357 -8.467 1.00 15.00 H new ATOM 0 HG22 ILE A 193 3.107 9.694 -9.385 1.00 15.00 H new ATOM 0 HG23 ILE A 193 2.914 11.202 -8.461 1.00 15.00 H new ATOM 0 HD11 ILE A 193 5.155 10.715 -4.867 1.00 15.00 H new ATOM 0 HD12 ILE A 193 5.340 9.203 -5.787 1.00 15.00 H new ATOM 0 HD13 ILE A 193 5.342 10.768 -6.635 1.00 15.00 H new ATOM 378 N ASP A 194 1.160 7.149 -8.494 1.00 15.00 N ATOM 379 CA ASP A 194 0.927 6.331 -9.686 1.00 15.00 C ATOM 380 C ASP A 194 -0.517 5.855 -9.789 1.00 15.00 C ATOM 381 O ASP A 194 -0.920 5.356 -10.840 1.00 15.00 O ATOM 382 CB ASP A 194 1.844 5.106 -9.704 1.00 15.00 C ATOM 383 CG ASP A 194 3.312 5.459 -9.806 1.00 15.00 C ATOM 384 OD1 ASP A 194 3.770 5.813 -10.914 1.00 15.00 O ATOM 385 OD2 ASP A 194 4.025 5.354 -8.784 1.00 15.00 O1- ATOM 0 H ASP A 194 1.445 6.620 -7.670 1.00 15.00 H new ATOM 0 HA ASP A 194 1.147 6.974 -10.538 1.00 15.00 H new ATOM 0 HB2 ASP A 194 1.679 4.524 -8.797 1.00 15.00 H new ATOM 0 HB3 ASP A 194 1.571 4.469 -10.545 1.00 15.00 H new ATOM 390 N GLN A 195 -1.270 5.962 -8.690 1.00 15.00 N ATOM 391 CA GLN A 195 -2.652 5.463 -8.634 1.00 15.00 C ATOM 392 C GLN A 195 -2.652 3.933 -8.646 1.00 15.00 C ATOM 393 O GLN A 195 -3.592 3.291 -9.111 1.00 15.00 O ATOM 394 CB GLN A 195 -3.487 6.037 -9.804 1.00 15.00 C ATOM 395 CG GLN A 195 -4.952 5.607 -9.798 1.00 15.00 C ATOM 396 CD GLN A 195 -5.749 6.167 -10.956 1.00 15.00 C ATOM 397 OE1 GLN A 195 -5.212 6.431 -12.033 1.00 15.00 O ATOM 398 NE2 GLN A 195 -7.048 6.332 -10.752 1.00 15.00 N ATOM 0 H GLN A 195 -0.946 6.391 -7.823 1.00 15.00 H new ATOM 0 HA GLN A 195 -3.115 5.798 -7.706 1.00 15.00 H new ATOM 0 HB2 GLN A 195 -3.439 7.125 -9.770 1.00 15.00 H new ATOM 0 HB3 GLN A 195 -3.033 5.728 -10.745 1.00 15.00 H new ATOM 0 HG2 GLN A 195 -5.003 4.519 -9.824 1.00 15.00 H new ATOM 0 HG3 GLN A 195 -5.412 5.925 -8.863 1.00 15.00 H new ATOM 0 HE21 GLN A 195 -7.455 6.102 -9.846 1.00 15.00 H new ATOM 0 HE22 GLN A 195 -7.641 6.689 -11.501 1.00 15.00 H new ATOM 407 N THR A 196 -1.629 3.340 -8.065 1.00 15.00 N ATOM 408 CA THR A 196 -1.510 1.892 -8.125 1.00 15.00 C ATOM 409 C THR A 196 -1.546 1.249 -6.745 1.00 15.00 C ATOM 410 O THR A 196 -1.080 1.826 -5.761 1.00 15.00 O ATOM 411 CB THR A 196 -0.231 1.455 -8.872 1.00 15.00 C ATOM 412 OG1 THR A 196 0.905 2.137 -8.337 1.00 15.00 O ATOM 413 CG2 THR A 196 -0.335 1.744 -10.362 1.00 15.00 C ATOM 0 H THR A 196 -0.885 3.820 -7.558 1.00 15.00 H new ATOM 0 HA THR A 196 -2.379 1.543 -8.683 1.00 15.00 H new ATOM 0 HB THR A 196 -0.116 0.380 -8.735 1.00 15.00 H new ATOM 0 HG1 THR A 196 1.712 1.853 -8.815 1.00 15.00 H new ATOM 0 HG21 THR A 196 0.581 1.425 -10.859 1.00 15.00 H new ATOM 0 HG22 THR A 196 -1.183 1.201 -10.780 1.00 15.00 H new ATOM 0 HG23 THR A 196 -0.478 2.814 -10.516 1.00 15.00 H new ATOM 421 N THR A 197 -2.129 0.058 -6.689 1.00 15.00 N ATOM 422 CA THR A 197 -2.187 -0.723 -5.466 1.00 15.00 C ATOM 423 C THR A 197 -1.143 -1.836 -5.517 1.00 15.00 C ATOM 424 O THR A 197 -1.243 -2.761 -6.327 1.00 15.00 O ATOM 425 CB THR A 197 -3.588 -1.334 -5.267 1.00 15.00 C ATOM 426 OG1 THR A 197 -4.583 -0.320 -5.447 1.00 15.00 O ATOM 427 CG2 THR A 197 -3.722 -1.938 -3.877 1.00 15.00 C ATOM 0 H THR A 197 -2.573 -0.391 -7.490 1.00 15.00 H new ATOM 0 HA THR A 197 -1.978 -0.061 -4.625 1.00 15.00 H new ATOM 0 HB THR A 197 -3.729 -2.125 -6.004 1.00 15.00 H new ATOM 0 HG1 THR A 197 -5.473 -0.710 -5.322 1.00 15.00 H new ATOM 0 HG21 THR A 197 -4.719 -2.363 -3.760 1.00 15.00 H new ATOM 0 HG22 THR A 197 -2.976 -2.722 -3.747 1.00 15.00 H new ATOM 0 HG23 THR A 197 -3.568 -1.162 -3.127 1.00 15.00 H new ATOM 435 N THR A 198 -0.142 -1.733 -4.668 1.00 15.00 N ATOM 436 CA THR A 198 0.979 -2.651 -4.678 1.00 15.00 C ATOM 437 C THR A 198 0.849 -3.699 -3.558 1.00 15.00 C ATOM 438 O THR A 198 0.775 -3.342 -2.379 1.00 15.00 O ATOM 439 CB THR A 198 2.290 -1.855 -4.505 1.00 15.00 C ATOM 440 OG1 THR A 198 2.323 -0.780 -5.454 1.00 15.00 O ATOM 441 CG2 THR A 198 3.514 -2.735 -4.699 1.00 15.00 C ATOM 0 H THR A 198 -0.082 -1.010 -3.951 1.00 15.00 H new ATOM 0 HA THR A 198 0.989 -3.179 -5.632 1.00 15.00 H new ATOM 0 HB THR A 198 2.314 -1.465 -3.487 1.00 15.00 H new ATOM 0 HG1 THR A 198 2.442 0.070 -4.981 1.00 15.00 H new ATOM 0 HG21 THR A 198 4.416 -2.137 -4.569 1.00 15.00 H new ATOM 0 HG22 THR A 198 3.503 -3.540 -3.964 1.00 15.00 H new ATOM 0 HG23 THR A 198 3.502 -3.159 -5.703 1.00 15.00 H new ATOM 449 N TRP A 199 0.796 -4.986 -3.928 1.00 15.00 N ATOM 450 CA TRP A 199 0.761 -6.077 -2.949 1.00 15.00 C ATOM 451 C TRP A 199 2.166 -6.389 -2.432 1.00 15.00 C ATOM 452 O TRP A 199 2.337 -7.033 -1.396 1.00 15.00 O ATOM 453 CB TRP A 199 0.195 -7.359 -3.572 1.00 15.00 C ATOM 454 CG TRP A 199 -1.291 -7.561 -3.473 1.00 15.00 C ATOM 455 CD1 TRP A 199 -2.106 -8.032 -4.465 1.00 15.00 C ATOM 456 CD2 TRP A 199 -2.144 -7.323 -2.341 1.00 15.00 C ATOM 457 NE1 TRP A 199 -3.390 -8.152 -4.012 1.00 15.00 N ATOM 458 CE2 TRP A 199 -3.437 -7.726 -2.721 1.00 15.00 C ATOM 459 CE3 TRP A 199 -1.960 -6.827 -1.041 1.00 15.00 C ATOM 460 CZ2 TRP A 199 -4.511 -7.664 -1.865 1.00 15.00 C ATOM 461 CZ3 TRP A 199 -3.067 -6.742 -0.206 1.00 15.00 C ATOM 462 CH2 TRP A 199 -4.324 -7.179 -0.642 1.00 15.00 C ATOM 0 H TRP A 199 0.776 -5.295 -4.900 1.00 15.00 H new ATOM 0 HA TRP A 199 0.122 -5.747 -2.130 1.00 15.00 H new ATOM 0 HB2 TRP A 199 0.471 -7.375 -4.626 1.00 15.00 H new ATOM 0 HB3 TRP A 199 0.686 -8.211 -3.101 1.00 15.00 H new ATOM 0 HD1 TRP A 199 -1.781 -8.275 -5.466 1.00 15.00 H new ATOM 0 HE1 TRP A 199 -4.181 -8.503 -4.552 1.00 15.00 H new ATOM 0 HE3 TRP A 199 -0.983 -6.519 -0.699 1.00 15.00 H new ATOM 0 HZ2 TRP A 199 -5.487 -8.003 -2.180 1.00 15.00 H new ATOM 0 HZ3 TRP A 199 -2.957 -6.335 0.788 1.00 15.00 H new ATOM 0 HH2 TRP A 199 -5.164 -7.120 0.034 1.00 15.00 H new ATOM 473 N GLN A 200 3.163 -5.965 -3.192 1.00 15.00 N ATOM 474 CA GLN A 200 4.551 -6.295 -2.901 1.00 15.00 C ATOM 475 C GLN A 200 5.236 -5.132 -2.190 1.00 15.00 C ATOM 476 O GLN A 200 4.888 -3.976 -2.408 1.00 15.00 O ATOM 477 CB GLN A 200 5.277 -6.626 -4.211 1.00 15.00 C ATOM 478 CG GLN A 200 6.715 -7.087 -4.027 1.00 15.00 C ATOM 479 CD GLN A 200 6.822 -8.328 -3.160 1.00 15.00 C ATOM 480 OE1 GLN A 200 6.948 -8.234 -1.940 1.00 15.00 O ATOM 481 NE2 GLN A 200 6.768 -9.495 -3.781 1.00 15.00 N ATOM 0 H GLN A 200 3.036 -5.386 -4.022 1.00 15.00 H new ATOM 0 HA GLN A 200 4.586 -7.162 -2.242 1.00 15.00 H new ATOM 0 HB2 GLN A 200 4.722 -7.404 -4.734 1.00 15.00 H new ATOM 0 HB3 GLN A 200 5.269 -5.744 -4.851 1.00 15.00 H new ATOM 0 HG2 GLN A 200 7.155 -7.291 -5.003 1.00 15.00 H new ATOM 0 HG3 GLN A 200 7.296 -6.282 -3.577 1.00 15.00 H new ATOM 0 HE21 GLN A 200 6.663 -9.529 -4.795 1.00 15.00 H new ATOM 0 HE22 GLN A 200 6.831 -10.361 -3.246 1.00 15.00 H new ATOM 490 N ASP A 201 6.211 -5.440 -1.349 1.00 15.00 N ATOM 491 CA ASP A 201 6.964 -4.403 -0.655 1.00 15.00 C ATOM 492 C ASP A 201 8.048 -3.848 -1.577 1.00 15.00 C ATOM 493 O ASP A 201 8.981 -4.563 -1.946 1.00 15.00 O ATOM 494 CB ASP A 201 7.597 -4.958 0.626 1.00 15.00 C ATOM 495 CG ASP A 201 8.088 -3.864 1.560 1.00 15.00 C ATOM 496 OD1 ASP A 201 8.903 -3.021 1.128 1.00 15.00 O ATOM 497 OD2 ASP A 201 7.664 -3.851 2.739 1.00 15.00 O1- ATOM 0 H ASP A 201 6.500 -6.394 -1.130 1.00 15.00 H new ATOM 0 HA ASP A 201 6.280 -3.601 -0.379 1.00 15.00 H new ATOM 0 HB2 ASP A 201 6.867 -5.576 1.149 1.00 15.00 H new ATOM 0 HB3 ASP A 201 8.432 -5.607 0.362 1.00 15.00 H new ATOM 502 N PRO A 202 7.919 -2.570 -1.985 1.00 15.00 N ATOM 503 CA PRO A 202 8.879 -1.906 -2.882 1.00 15.00 C ATOM 504 C PRO A 202 10.326 -1.928 -2.376 1.00 15.00 C ATOM 505 O PRO A 202 11.253 -1.624 -3.129 1.00 15.00 O ATOM 506 CB PRO A 202 8.374 -0.458 -2.975 1.00 15.00 C ATOM 507 CG PRO A 202 7.339 -0.309 -1.908 1.00 15.00 C ATOM 508 CD PRO A 202 6.795 -1.685 -1.646 1.00 15.00 C ATOM 0 HA PRO A 202 8.919 -2.426 -3.839 1.00 15.00 H new ATOM 0 HB2 PRO A 202 9.190 0.249 -2.827 1.00 15.00 H new ATOM 0 HB3 PRO A 202 7.951 -0.256 -3.959 1.00 15.00 H new ATOM 0 HG2 PRO A 202 7.773 0.115 -1.003 1.00 15.00 H new ATOM 0 HG3 PRO A 202 6.546 0.367 -2.228 1.00 15.00 H new ATOM 0 HD2 PRO A 202 6.490 -1.804 -0.606 1.00 15.00 H new ATOM 0 HD3 PRO A 202 5.920 -1.894 -2.261 1.00 15.00 H new ATOM 516 N ARG A 203 10.522 -2.246 -1.102 1.00 15.00 N ATOM 517 CA ARG A 203 11.865 -2.292 -0.533 1.00 15.00 C ATOM 518 C ARG A 203 12.431 -3.705 -0.584 1.00 15.00 C ATOM 519 O ARG A 203 13.632 -3.911 -0.401 1.00 15.00 O ATOM 520 CB ARG A 203 11.851 -1.816 0.913 1.00 15.00 C ATOM 521 CG ARG A 203 11.219 -0.453 1.110 1.00 15.00 C ATOM 522 CD ARG A 203 10.861 -0.243 2.567 1.00 15.00 C ATOM 523 NE ARG A 203 10.026 -1.335 3.064 1.00 15.00 N ATOM 524 CZ ARG A 203 10.054 -1.794 4.311 1.00 15.00 C ATOM 525 NH1 ARG A 203 10.898 -1.272 5.193 1.00 15.00 N1+ ATOM 526 NH2 ARG A 203 9.253 -2.792 4.660 1.00 15.00 N ATOM 0 H ARG A 203 9.775 -2.474 -0.447 1.00 15.00 H new ATOM 0 HA ARG A 203 12.496 -1.632 -1.128 1.00 15.00 H new ATOM 0 HB2 ARG A 203 11.313 -2.545 1.519 1.00 15.00 H new ATOM 0 HB3 ARG A 203 12.875 -1.787 1.284 1.00 15.00 H new ATOM 0 HG2 ARG A 203 11.908 0.325 0.782 1.00 15.00 H new ATOM 0 HG3 ARG A 203 10.325 -0.367 0.493 1.00 15.00 H new ATOM 0 HD2 ARG A 203 11.771 -0.176 3.163 1.00 15.00 H new ATOM 0 HD3 ARG A 203 10.334 0.704 2.683 1.00 15.00 H new ATOM 0 HE ARG A 203 9.378 -1.774 2.410 1.00 15.00 H new ATOM 0 HH11 ARG A 203 11.526 -0.518 4.914 1.00 15.00 H new ATOM 0 HH12 ARG A 203 10.919 -1.625 6.150 1.00 15.00 H new ATOM 0 HH21 ARG A 203 8.621 -3.202 3.973 1.00 15.00 H new ATOM 0 HH22 ARG A 203 9.270 -3.149 5.615 1.00 15.00 H new ATOM 540 N LYS A 204 11.556 -4.674 -0.807 1.00 15.00 N ATOM 541 CA LYS A 204 11.959 -6.074 -0.814 1.00 15.00 C ATOM 542 C LYS A 204 12.279 -6.522 -2.236 1.00 15.00 C ATOM 543 O LYS A 204 12.872 -7.579 -2.452 1.00 15.00 O ATOM 544 CB LYS A 204 10.851 -6.953 -0.223 1.00 15.00 C ATOM 545 CG LYS A 204 11.333 -8.321 0.234 1.00 15.00 C ATOM 546 CD LYS A 204 10.174 -9.222 0.638 1.00 15.00 C ATOM 547 CE LYS A 204 9.373 -9.679 -0.572 1.00 15.00 C ATOM 548 NZ LYS A 204 8.221 -10.540 -0.189 1.00 15.00 N1+ ATOM 0 H LYS A 204 10.564 -4.518 -0.985 1.00 15.00 H new ATOM 0 HA LYS A 204 12.853 -6.180 -0.200 1.00 15.00 H new ATOM 0 HB2 LYS A 204 10.401 -6.435 0.624 1.00 15.00 H new ATOM 0 HB3 LYS A 204 10.067 -7.084 -0.969 1.00 15.00 H new ATOM 0 HG2 LYS A 204 11.899 -8.794 -0.569 1.00 15.00 H new ATOM 0 HG3 LYS A 204 12.014 -8.204 1.077 1.00 15.00 H new ATOM 0 HD2 LYS A 204 10.557 -10.092 1.171 1.00 15.00 H new ATOM 0 HD3 LYS A 204 9.520 -8.688 1.328 1.00 15.00 H new ATOM 0 HE2 LYS A 204 9.008 -8.807 -1.115 1.00 15.00 H new ATOM 0 HE3 LYS A 204 10.025 -10.228 -1.251 1.00 15.00 H new ATOM 0 HZ1 LYS A 204 8.371 -11.503 -0.553 1.00 15.00 H new ATOM 0 HZ2 LYS A 204 8.140 -10.571 0.847 1.00 15.00 H new ATOM 0 HZ3 LYS A 204 7.346 -10.149 -0.593 1.00 15.00 H new ATOM 562 N ALA A 205 11.860 -5.722 -3.204 1.00 15.00 N ATOM 563 CA ALA A 205 12.099 -6.034 -4.601 1.00 15.00 C ATOM 564 C ALA A 205 13.354 -5.327 -5.096 1.00 15.00 C ATOM 565 O ALA A 205 13.228 -4.268 -5.744 1.00 15.00 O ATOM 566 CB ALA A 205 10.894 -5.646 -5.446 1.00 15.00 C ATOM 567 OXT ALA A 205 14.464 -5.827 -4.825 1.00 15.00 O ATOM 0 H ALA A 205 11.352 -4.851 -3.046 1.00 15.00 H new ATOM 0 HA ALA A 205 12.251 -7.109 -4.696 1.00 15.00 H new ATOM 0 HB1 ALA A 205 11.090 -5.887 -6.491 1.00 15.00 H new ATOM 0 HB2 ALA A 205 10.018 -6.197 -5.105 1.00 15.00 H new ATOM 0 HB3 ALA A 205 10.710 -4.576 -5.348 1.00 15.00 H new TER 573 ALA A 205 ATOM 574 N GLY B 204 -2.144 -15.876 -3.531 1.00 15.00 N ATOM 575 CA GLY B 204 -3.525 -15.549 -3.959 1.00 15.00 C ATOM 576 C GLY B 204 -4.172 -14.578 -3.002 1.00 15.00 C ATOM 577 O GLY B 204 -4.591 -14.955 -1.909 1.00 15.00 O ATOM 0 HA2 GLY B 204 -3.507 -15.120 -4.961 1.00 15.00 H new ATOM 0 HA3 GLY B 204 -4.118 -16.462 -4.013 1.00 15.00 H new ATOM 583 N GLU B 205 -4.249 -13.326 -3.416 1.00 15.00 N ATOM 584 CA GLU B 205 -4.655 -12.249 -2.531 1.00 15.00 C ATOM 585 C GLU B 205 -6.089 -11.829 -2.827 1.00 15.00 C ATOM 586 O GLU B 205 -6.546 -11.901 -3.970 1.00 15.00 O ATOM 587 CB GLU B 205 -3.731 -11.036 -2.682 1.00 15.00 C ATOM 588 CG GLU B 205 -2.244 -11.356 -2.850 1.00 15.00 C ATOM 589 CD GLU B 205 -1.733 -12.465 -1.945 1.00 15.00 C ATOM 590 OE1 GLU B 205 -1.702 -12.277 -0.715 1.00 15.00 O1- ATOM 591 OE2 GLU B 205 -1.335 -13.529 -2.474 1.00 15.00 O ATOM 0 H GLU B 205 -4.034 -13.029 -4.368 1.00 15.00 H new ATOM 0 HA GLU B 205 -4.588 -12.618 -1.508 1.00 15.00 H new ATOM 0 HB2 GLU B 205 -4.060 -10.456 -3.545 1.00 15.00 H new ATOM 0 HB3 GLU B 205 -3.851 -10.399 -1.806 1.00 15.00 H new ATOM 0 HG2 GLU B 205 -2.060 -11.637 -3.887 1.00 15.00 H new ATOM 0 HG3 GLU B 205 -1.666 -10.452 -2.658 1.00 15.00 H new ATOM 598 N SER B 206 -6.775 -11.354 -1.805 1.00 15.00 N ATOM 599 CA SER B 206 -8.142 -10.883 -1.947 1.00 15.00 C ATOM 600 C SER B 206 -8.103 -9.399 -2.296 1.00 15.00 C ATOM 601 O SER B 206 -7.182 -8.708 -1.878 1.00 15.00 O ATOM 602 CB SER B 206 -8.886 -11.097 -0.628 1.00 15.00 C ATOM 603 OG SER B 206 -8.710 -12.423 -0.155 1.00 15.00 O ATOM 0 H SER B 206 -6.404 -11.283 -0.857 1.00 15.00 H new ATOM 0 HA SER B 206 -8.659 -11.431 -2.735 1.00 15.00 H new ATOM 0 HB2 SER B 206 -8.523 -10.390 0.118 1.00 15.00 H new ATOM 0 HB3 SER B 206 -9.948 -10.895 -0.768 1.00 15.00 H new ATOM 0 HG SER B 206 -9.193 -12.536 0.690 1.00 15.00 H new ATOM 609 N PRO B 207 -9.101 -8.887 -3.047 1.00 15.00 N ATOM 610 CA PRO B 207 -9.060 -7.526 -3.610 1.00 15.00 C ATOM 611 C PRO B 207 -8.673 -6.479 -2.571 1.00 15.00 C ATOM 612 O PRO B 207 -9.279 -6.393 -1.500 1.00 15.00 O ATOM 613 CB PRO B 207 -10.496 -7.288 -4.104 1.00 15.00 C ATOM 614 CG PRO B 207 -11.305 -8.423 -3.560 1.00 15.00 C ATOM 615 CD PRO B 207 -10.351 -9.571 -3.393 1.00 15.00 C ATOM 0 HA PRO B 207 -8.310 -7.439 -4.396 1.00 15.00 H new ATOM 0 HB2 PRO B 207 -10.878 -6.330 -3.750 1.00 15.00 H new ATOM 0 HB3 PRO B 207 -10.537 -7.265 -5.193 1.00 15.00 H new ATOM 0 HG2 PRO B 207 -11.762 -8.154 -2.608 1.00 15.00 H new ATOM 0 HG3 PRO B 207 -12.115 -8.685 -4.240 1.00 15.00 H new ATOM 0 HD2 PRO B 207 -10.671 -10.256 -2.608 1.00 15.00 H new ATOM 0 HD3 PRO B 207 -10.255 -10.157 -4.307 1.00 15.00 H new ATOM 623 N PRO B 208 -7.666 -5.651 -2.890 1.00 15.00 N ATOM 624 CA PRO B 208 -7.000 -4.754 -1.962 1.00 15.00 C ATOM 625 C PRO B 208 -7.696 -3.386 -1.942 1.00 15.00 C ATOM 626 O PRO B 208 -8.682 -3.181 -2.656 1.00 15.00 O ATOM 627 CB PRO B 208 -5.568 -4.671 -2.585 1.00 15.00 C ATOM 628 CG PRO B 208 -5.651 -5.478 -3.848 1.00 15.00 C ATOM 629 CD PRO B 208 -7.086 -5.405 -4.193 1.00 15.00 C ATOM 0 HA PRO B 208 -7.004 -5.085 -0.924 1.00 15.00 H new ATOM 0 HB2 PRO B 208 -5.287 -3.639 -2.793 1.00 15.00 H new ATOM 0 HB3 PRO B 208 -4.817 -5.075 -1.906 1.00 15.00 H new ATOM 0 HG2 PRO B 208 -5.024 -5.060 -4.636 1.00 15.00 H new ATOM 0 HG3 PRO B 208 -5.325 -6.506 -3.693 1.00 15.00 H new ATOM 0 HD2 PRO B 208 -7.369 -4.434 -4.599 1.00 15.00 H new ATOM 0 HD3 PRO B 208 -7.377 -6.155 -4.928 1.00 15.00 H new ATOM 637 N PRO B 209 -7.194 -2.437 -1.135 1.00 15.00 N ATOM 638 CA PRO B 209 -7.792 -1.100 -0.967 1.00 15.00 C ATOM 639 C PRO B 209 -8.120 -0.393 -2.275 1.00 15.00 C ATOM 640 O PRO B 209 -7.329 -0.412 -3.221 1.00 15.00 O ATOM 641 CB PRO B 209 -6.678 -0.306 -0.272 1.00 15.00 C ATOM 642 CG PRO B 209 -5.472 -1.172 -0.327 1.00 15.00 C ATOM 643 CD PRO B 209 -5.995 -2.568 -0.316 1.00 15.00 C ATOM 0 HA PRO B 209 -8.738 -1.177 -0.430 1.00 15.00 H new ATOM 0 HB2 PRO B 209 -6.501 0.644 -0.777 1.00 15.00 H new ATOM 0 HB3 PRO B 209 -6.947 -0.074 0.759 1.00 15.00 H new ATOM 0 HG2 PRO B 209 -4.888 -0.977 -1.226 1.00 15.00 H new ATOM 0 HG3 PRO B 209 -4.817 -0.990 0.525 1.00 15.00 H new ATOM 0 HD2 PRO B 209 -5.283 -3.276 -0.741 1.00 15.00 H new ATOM 0 HD3 PRO B 209 -6.223 -2.912 0.693 1.00 15.00 H new ATOM 651 N PRO B 210 -9.291 0.255 -2.332 1.00 15.00 N ATOM 652 CA PRO B 210 -9.617 1.178 -3.412 1.00 15.00 C ATOM 653 C PRO B 210 -8.706 2.401 -3.354 1.00 15.00 C ATOM 654 O PRO B 210 -8.586 3.047 -2.312 1.00 15.00 O ATOM 655 CB PRO B 210 -11.076 1.566 -3.139 1.00 15.00 C ATOM 656 CG PRO B 210 -11.290 1.282 -1.691 1.00 15.00 C ATOM 657 CD PRO B 210 -10.384 0.131 -1.352 1.00 15.00 C ATOM 0 HA PRO B 210 -9.482 0.742 -4.402 1.00 15.00 H new ATOM 0 HB2 PRO B 210 -11.253 2.618 -3.365 1.00 15.00 H new ATOM 0 HB3 PRO B 210 -11.760 0.987 -3.759 1.00 15.00 H new ATOM 0 HG2 PRO B 210 -11.054 2.156 -1.084 1.00 15.00 H new ATOM 0 HG3 PRO B 210 -12.332 1.029 -1.494 1.00 15.00 H new ATOM 0 HD2 PRO B 210 -10.015 0.198 -0.328 1.00 15.00 H new ATOM 0 HD3 PRO B 210 -10.899 -0.826 -1.443 1.00 15.00 H new ATOM 665 N TYR B 211 -8.066 2.709 -4.471 1.00 15.00 N ATOM 666 CA TYR B 211 -7.056 3.762 -4.524 1.00 15.00 C ATOM 667 C TYR B 211 -7.623 5.168 -4.265 1.00 15.00 C ATOM 668 O TYR B 211 -6.856 6.101 -4.027 1.00 15.00 O ATOM 669 CB TYR B 211 -6.298 3.740 -5.866 1.00 15.00 C ATOM 670 CG TYR B 211 -5.422 4.959 -6.055 1.00 15.00 C ATOM 671 CD1 TYR B 211 -4.147 5.000 -5.517 1.00 15.00 C ATOM 672 CD2 TYR B 211 -5.890 6.089 -6.722 1.00 15.00 C ATOM 673 CE1 TYR B 211 -3.363 6.123 -5.632 1.00 15.00 C ATOM 674 CE2 TYR B 211 -5.105 7.218 -6.849 1.00 15.00 C ATOM 675 CZ TYR B 211 -3.843 7.232 -6.299 1.00 15.00 C ATOM 676 OH TYR B 211 -3.059 8.356 -6.418 1.00 15.00 O ATOM 0 H TYR B 211 -8.228 2.241 -5.363 1.00 15.00 H new ATOM 0 HA TYR B 211 -6.362 3.544 -3.712 1.00 15.00 H new ATOM 0 HB2 TYR B 211 -5.682 2.842 -5.917 1.00 15.00 H new ATOM 0 HB3 TYR B 211 -7.016 3.682 -6.684 1.00 15.00 H new ATOM 0 HD1 TYR B 211 -3.762 4.135 -4.998 1.00 15.00 H new ATOM 0 HD2 TYR B 211 -6.883 6.082 -7.147 1.00 15.00 H new ATOM 0 HE1 TYR B 211 -2.373 6.138 -5.201 1.00 15.00 H new ATOM 0 HE2 TYR B 211 -5.478 8.084 -7.376 1.00 15.00 H new ATOM 0 HH TYR B 211 -3.547 9.044 -6.917 1.00 15.00 H new ATOM 686 N SER B 212 -8.944 5.325 -4.223 1.00 15.00 N ATOM 687 CA SER B 212 -9.547 6.635 -4.473 1.00 15.00 C ATOM 688 C SER B 212 -9.044 7.688 -3.491 1.00 15.00 C ATOM 689 O SER B 212 -8.391 8.645 -3.912 1.00 15.00 O ATOM 690 CB SER B 212 -11.072 6.539 -4.398 1.00 15.00 C ATOM 691 OG SER B 212 -11.580 5.694 -5.417 1.00 15.00 O ATOM 0 H SER B 212 -9.608 4.578 -4.022 1.00 15.00 H new ATOM 0 HA SER B 212 -9.251 6.945 -5.475 1.00 15.00 H new ATOM 0 HB2 SER B 212 -11.368 6.155 -3.422 1.00 15.00 H new ATOM 0 HB3 SER B 212 -11.508 7.534 -4.495 1.00 15.00 H new ATOM 0 HG SER B 212 -12.556 5.648 -5.347 1.00 15.00 H new ATOM 697 N ARG B 213 -9.328 7.562 -2.207 1.00 15.00 N ATOM 698 CA ARG B 213 -8.673 8.442 -1.255 1.00 15.00 C ATOM 699 C ARG B 213 -7.871 7.651 -0.232 1.00 15.00 C ATOM 700 O ARG B 213 -6.641 7.650 -0.255 1.00 15.00 O ATOM 701 CB ARG B 213 -9.698 9.342 -0.556 1.00 15.00 C ATOM 702 CG ARG B 213 -10.374 10.325 -1.499 1.00 15.00 C ATOM 703 CD ARG B 213 -9.350 11.179 -2.231 1.00 15.00 C ATOM 704 NE ARG B 213 -9.969 12.058 -3.219 1.00 15.00 N ATOM 705 CZ ARG B 213 -9.623 12.091 -4.505 1.00 15.00 C ATOM 706 NH1 ARG B 213 -8.698 11.263 -4.974 1.00 15.00 N1+ ATOM 707 NH2 ARG B 213 -10.204 12.950 -5.331 1.00 15.00 N ATOM 0 H ARG B 213 -9.981 6.887 -1.810 1.00 15.00 H new ATOM 0 HA ARG B 213 -7.978 9.073 -1.809 1.00 15.00 H new ATOM 0 HB2 ARG B 213 -10.458 8.718 -0.086 1.00 15.00 H new ATOM 0 HB3 ARG B 213 -9.202 9.896 0.241 1.00 15.00 H new ATOM 0 HG2 ARG B 213 -10.981 9.780 -2.222 1.00 15.00 H new ATOM 0 HG3 ARG B 213 -11.050 10.967 -0.935 1.00 15.00 H new ATOM 0 HD2 ARG B 213 -8.798 11.780 -1.508 1.00 15.00 H new ATOM 0 HD3 ARG B 213 -8.627 10.531 -2.726 1.00 15.00 H new ATOM 0 HE ARG B 213 -10.711 12.684 -2.906 1.00 15.00 H new ATOM 0 HH11 ARG B 213 -8.247 10.595 -4.349 1.00 15.00 H new ATOM 0 HH12 ARG B 213 -8.438 11.294 -5.960 1.00 15.00 H new ATOM 0 HH21 ARG B 213 -10.919 13.589 -4.982 1.00 15.00 H new ATOM 0 HH22 ARG B 213 -9.936 12.972 -6.315 1.00 15.00 H new ATOM 721 N TYR B 214 -8.575 6.964 0.651 1.00 15.00 N ATOM 722 CA TYR B 214 -7.937 6.188 1.702 1.00 15.00 C ATOM 723 C TYR B 214 -8.329 4.720 1.595 1.00 15.00 C ATOM 724 O TYR B 214 -9.495 4.404 1.351 1.00 15.00 O ATOM 725 CB TYR B 214 -8.282 6.771 3.080 1.00 15.00 C ATOM 726 CG TYR B 214 -7.503 8.037 3.402 1.00 15.00 C ATOM 727 CD1 TYR B 214 -7.451 9.093 2.500 1.00 15.00 C ATOM 728 CD2 TYR B 214 -6.806 8.166 4.596 1.00 15.00 C ATOM 729 CE1 TYR B 214 -6.736 10.239 2.773 1.00 15.00 C ATOM 730 CE2 TYR B 214 -6.088 9.314 4.881 1.00 15.00 C ATOM 731 CZ TYR B 214 -6.056 10.347 3.966 1.00 15.00 C ATOM 732 OH TYR B 214 -5.344 11.494 4.245 1.00 15.00 O ATOM 0 H TYR B 214 -9.594 6.928 0.661 1.00 15.00 H new ATOM 0 HA TYR B 214 -6.856 6.247 1.580 1.00 15.00 H new ATOM 0 HB2 TYR B 214 -9.349 6.988 3.120 1.00 15.00 H new ATOM 0 HB3 TYR B 214 -8.080 6.022 3.846 1.00 15.00 H new ATOM 0 HD1 TYR B 214 -7.983 9.014 1.564 1.00 15.00 H new ATOM 0 HD2 TYR B 214 -6.825 7.358 5.313 1.00 15.00 H new ATOM 0 HE1 TYR B 214 -6.709 11.047 2.057 1.00 15.00 H new ATOM 0 HE2 TYR B 214 -5.555 9.401 5.816 1.00 15.00 H new ATOM 0 HH TYR B 214 -4.923 11.412 5.126 1.00 15.00 H new ATOM 742 N PRO B 215 -7.367 3.806 1.799 1.00 15.00 N ATOM 743 CA PRO B 215 -7.610 2.361 1.704 1.00 15.00 C ATOM 744 C PRO B 215 -8.660 1.865 2.685 1.00 15.00 C ATOM 745 O PRO B 215 -9.475 1.004 2.356 1.00 15.00 O ATOM 746 CB PRO B 215 -6.255 1.735 2.044 1.00 15.00 C ATOM 747 CG PRO B 215 -5.258 2.812 1.808 1.00 15.00 C ATOM 748 CD PRO B 215 -5.959 4.110 2.099 1.00 15.00 C ATOM 0 HA PRO B 215 -7.991 2.098 0.717 1.00 15.00 H new ATOM 0 HB2 PRO B 215 -6.228 1.393 3.079 1.00 15.00 H new ATOM 0 HB3 PRO B 215 -6.053 0.867 1.416 1.00 15.00 H new ATOM 0 HG2 PRO B 215 -4.390 2.686 2.455 1.00 15.00 H new ATOM 0 HG3 PRO B 215 -4.896 2.788 0.780 1.00 15.00 H new ATOM 0 HD2 PRO B 215 -5.825 4.416 3.137 1.00 15.00 H new ATOM 0 HD3 PRO B 215 -5.580 4.921 1.476 1.00 15.00 H new ATOM 756 N MET B 216 -8.612 2.386 3.897 1.00 15.00 N ATOM 757 CA MET B 216 -9.543 1.983 4.935 1.00 15.00 C ATOM 758 C MET B 216 -9.786 3.135 5.895 1.00 15.00 C ATOM 759 O MET B 216 -8.868 3.893 6.212 1.00 15.00 O ATOM 760 CB MET B 216 -9.002 0.780 5.706 1.00 15.00 C ATOM 761 CG MET B 216 -9.986 0.234 6.726 1.00 15.00 C ATOM 762 SD MET B 216 -11.417 -0.551 5.957 1.00 15.00 S ATOM 763 CE MET B 216 -12.329 -1.086 7.404 1.00 15.00 C ATOM 0 H MET B 216 -7.936 3.092 4.188 1.00 15.00 H new ATOM 0 HA MET B 216 -10.484 1.703 4.461 1.00 15.00 H new ATOM 0 HB2 MET B 216 -8.744 -0.010 5.001 1.00 15.00 H new ATOM 0 HB3 MET B 216 -8.082 1.066 6.215 1.00 15.00 H new ATOM 0 HG2 MET B 216 -9.478 -0.489 7.364 1.00 15.00 H new ATOM 0 HG3 MET B 216 -10.324 1.046 7.370 1.00 15.00 H new ATOM 0 HE1 MET B 216 -13.243 -1.591 7.092 1.00 15.00 H new ATOM 0 HE2 MET B 216 -11.716 -1.773 7.987 1.00 15.00 H new ATOM 0 HE3 MET B 216 -12.583 -0.220 8.015 1.00 15.00 H new ATOM 773 N ASP B 217 -11.013 3.247 6.366 1.00 15.00 N ATOM 774 CA ASP B 217 -11.386 4.291 7.303 1.00 15.00 C ATOM 775 C ASP B 217 -11.283 3.785 8.738 1.00 15.00 C ATOM 776 O ASP B 217 -11.992 2.820 9.091 1.00 15.00 O ATOM 777 CB ASP B 217 -12.797 4.797 6.992 1.00 15.00 C ATOM 778 CG ASP B 217 -13.855 3.711 7.039 1.00 15.00 C ATOM 779 OD1 ASP B 217 -13.849 2.830 6.152 1.00 15.00 O1- ATOM 780 OD2 ASP B 217 -14.709 3.740 7.953 1.00 15.00 O ATOM 781 OXT ASP B 217 -10.481 4.343 9.512 1.00 15.00 O ATOM 0 H ASP B 217 -11.777 2.620 6.112 1.00 15.00 H new ATOM 0 HA ASP B 217 -10.694 5.126 7.196 1.00 15.00 H new ATOM 0 HB2 ASP B 217 -13.059 5.579 7.705 1.00 15.00 H new ATOM 0 HB3 ASP B 217 -12.800 5.254 6.002 1.00 15.00 H new TER 786 ASP B 217