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 191 ASN : amide:sc= 0.878 K(o=1.5,f=-5.4!) USER MOD Set 1.2: A 198 THR OG1 : rot 125:sc= 0.592 USER MOD Single : A 179 MET CE :methyl 168:sc= -6.19! (180deg=-7.51!) USER MOD Single : A 181 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0233) USER MOD Single : A 182 THR OG1 : rot 177:sc= -2.3! USER MOD Single : A 183 SER OG : rot 180:sc= 0.0159 USER MOD Single : A 184 SER OG : rot 180:sc= 0 USER MOD Single : A 186 GLN : amide:sc= 0 X(o=0,f=-0.35) USER MOD Single : A 188 TYR OH : rot 180:sc= -0.82 USER MOD Single : A 192 HIS : no HD1:sc= -1.28! C(o=-1.3!,f=-5.5!) USER MOD Single : A 195 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 196 THR OG1 : rot 180:sc= -0.742 USER MOD Single : A 197 THR OG1 : rot 180:sc= 0 USER MOD Single : A 200 GLN : amide:sc= -0.279 X(o=-0.28,f=-0.082) USER MOD Single : A 204 LYS NZ :NH3+ 146:sc= -1.87! (180deg=-4.33!) USER MOD Single : B 206 SER OG : rot 180:sc= 0 USER MOD Single : B 211 TYR OH : rot 180:sc= -0.0213 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 -165:sc= -2.71! (180deg=-3.43!) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 170 12.030 7.836 4.870 1.00 15.00 N ATOM 2 CA ASP A 170 11.864 7.184 3.552 1.00 15.00 C ATOM 3 C ASP A 170 12.341 5.732 3.587 1.00 15.00 C ATOM 4 O ASP A 170 12.018 4.945 2.696 1.00 15.00 O ATOM 5 CB ASP A 170 12.628 7.960 2.473 1.00 15.00 C ATOM 6 CG ASP A 170 14.126 7.937 2.691 1.00 15.00 C ATOM 7 OD1 ASP A 170 14.571 8.234 3.819 1.00 15.00 O1- ATOM 8 OD2 ASP A 170 14.867 7.626 1.736 1.00 15.00 O ATOM 0 HA ASP A 170 10.801 7.187 3.310 1.00 15.00 H new ATOM 0 HB2 ASP A 170 12.400 7.536 1.495 1.00 15.00 H new ATOM 0 HB3 ASP A 170 12.282 8.994 2.460 1.00 15.00 H new ATOM 15 N VAL A 171 13.124 5.378 4.605 1.00 15.00 N ATOM 16 CA VAL A 171 13.662 4.027 4.704 1.00 15.00 C ATOM 17 C VAL A 171 12.641 3.029 5.268 1.00 15.00 C ATOM 18 O VAL A 171 12.441 1.970 4.680 1.00 15.00 O ATOM 19 CB VAL A 171 14.955 3.996 5.547 1.00 15.00 C ATOM 20 CG1 VAL A 171 15.464 2.573 5.713 1.00 15.00 C ATOM 21 CG2 VAL A 171 16.017 4.863 4.894 1.00 15.00 C ATOM 0 H VAL A 171 13.396 6.002 5.364 1.00 15.00 H new ATOM 0 HA VAL A 171 13.899 3.718 3.686 1.00 15.00 H new ATOM 0 HB VAL A 171 14.730 4.390 6.538 1.00 15.00 H new ATOM 0 HG11 VAL A 171 16.376 2.580 6.311 1.00 15.00 H new ATOM 0 HG12 VAL A 171 14.706 1.972 6.215 1.00 15.00 H new ATOM 0 HG13 VAL A 171 15.676 2.146 4.733 1.00 15.00 H new ATOM 0 HG21 VAL A 171 16.927 4.837 5.493 1.00 15.00 H new ATOM 0 HG22 VAL A 171 16.230 4.486 3.894 1.00 15.00 H new ATOM 0 HG23 VAL A 171 15.657 5.890 4.825 1.00 15.00 H new ATOM 31 N PRO A 172 11.976 3.319 6.402 1.00 15.00 N ATOM 32 CA PRO A 172 10.924 2.434 6.908 1.00 15.00 C ATOM 33 C PRO A 172 9.653 2.525 6.065 1.00 15.00 C ATOM 34 O PRO A 172 8.910 1.552 5.931 1.00 15.00 O ATOM 35 CB PRO A 172 10.677 2.930 8.334 1.00 15.00 C ATOM 36 CG PRO A 172 11.132 4.350 8.339 1.00 15.00 C ATOM 37 CD PRO A 172 12.223 4.460 7.305 1.00 15.00 C ATOM 0 HA PRO A 172 11.216 1.385 6.871 1.00 15.00 H new ATOM 0 HB2 PRO A 172 9.623 2.853 8.600 1.00 15.00 H new ATOM 0 HB3 PRO A 172 11.233 2.336 9.059 1.00 15.00 H new ATOM 0 HG2 PRO A 172 10.306 5.022 8.103 1.00 15.00 H new ATOM 0 HG3 PRO A 172 11.503 4.634 9.324 1.00 15.00 H new ATOM 0 HD2 PRO A 172 12.173 5.409 6.772 1.00 15.00 H new ATOM 0 HD3 PRO A 172 13.212 4.402 7.760 1.00 15.00 H new ATOM 45 N LEU A 173 9.414 3.705 5.504 1.00 15.00 N ATOM 46 CA LEU A 173 8.250 3.952 4.663 1.00 15.00 C ATOM 47 C LEU A 173 8.637 4.882 3.510 1.00 15.00 C ATOM 48 O LEU A 173 9.007 6.035 3.746 1.00 15.00 O ATOM 49 CB LEU A 173 7.118 4.593 5.480 1.00 15.00 C ATOM 50 CG LEU A 173 6.604 3.787 6.684 1.00 15.00 C ATOM 51 CD1 LEU A 173 5.640 4.627 7.505 1.00 15.00 C ATOM 52 CD2 LEU A 173 5.916 2.502 6.233 1.00 15.00 C ATOM 0 H LEU A 173 10.021 4.516 5.620 1.00 15.00 H new ATOM 0 HA LEU A 173 7.899 2.999 4.266 1.00 15.00 H new ATOM 0 HB2 LEU A 173 7.463 5.562 5.840 1.00 15.00 H new ATOM 0 HB3 LEU A 173 6.278 4.781 4.811 1.00 15.00 H new ATOM 0 HG LEU A 173 7.463 3.518 7.300 1.00 15.00 H new ATOM 0 HD11 LEU A 173 5.283 4.045 8.355 1.00 15.00 H new ATOM 0 HD12 LEU A 173 6.151 5.520 7.866 1.00 15.00 H new ATOM 0 HD13 LEU A 173 4.793 4.920 6.884 1.00 15.00 H new ATOM 0 HD21 LEU A 173 5.563 1.953 7.106 1.00 15.00 H new ATOM 0 HD22 LEU A 173 5.069 2.748 5.592 1.00 15.00 H new ATOM 0 HD23 LEU A 173 6.624 1.886 5.678 1.00 15.00 H new ATOM 64 N PRO A 174 8.600 4.390 2.256 1.00 15.00 N ATOM 65 CA PRO A 174 8.903 5.208 1.070 1.00 15.00 C ATOM 66 C PRO A 174 7.949 6.398 0.922 1.00 15.00 C ATOM 67 O PRO A 174 6.828 6.380 1.434 1.00 15.00 O ATOM 68 CB PRO A 174 8.732 4.232 -0.103 1.00 15.00 C ATOM 69 CG PRO A 174 8.813 2.875 0.498 1.00 15.00 C ATOM 70 CD PRO A 174 8.280 3.003 1.894 1.00 15.00 C ATOM 0 HA PRO A 174 9.899 5.647 1.128 1.00 15.00 H new ATOM 0 HB2 PRO A 174 7.776 4.383 -0.604 1.00 15.00 H new ATOM 0 HB3 PRO A 174 9.511 4.377 -0.852 1.00 15.00 H new ATOM 0 HG2 PRO A 174 8.227 2.159 -0.078 1.00 15.00 H new ATOM 0 HG3 PRO A 174 9.841 2.513 0.506 1.00 15.00 H new ATOM 0 HD2 PRO A 174 7.207 2.815 1.933 1.00 15.00 H new ATOM 0 HD3 PRO A 174 8.753 2.292 2.571 1.00 15.00 H new ATOM 78 N ALA A 175 8.387 7.409 0.181 1.00 15.00 N ATOM 79 CA ALA A 175 7.621 8.640 0.033 1.00 15.00 C ATOM 80 C ALA A 175 6.673 8.553 -1.157 1.00 15.00 C ATOM 81 O ALA A 175 7.062 8.124 -2.246 1.00 15.00 O ATOM 82 CB ALA A 175 8.560 9.830 -0.118 1.00 15.00 C ATOM 0 H ALA A 175 9.271 7.400 -0.328 1.00 15.00 H new ATOM 0 HA ALA A 175 7.021 8.779 0.932 1.00 15.00 H new ATOM 0 HB1 ALA A 175 7.975 10.743 -0.228 1.00 15.00 H new ATOM 0 HB2 ALA A 175 9.193 9.908 0.766 1.00 15.00 H new ATOM 0 HB3 ALA A 175 9.185 9.691 -1.000 1.00 15.00 H new ATOM 88 N GLY A 176 5.435 8.977 -0.945 1.00 15.00 N ATOM 89 CA GLY A 176 4.420 8.879 -1.974 1.00 15.00 C ATOM 90 C GLY A 176 3.732 7.533 -1.957 1.00 15.00 C ATOM 91 O GLY A 176 3.024 7.169 -2.900 1.00 15.00 O ATOM 0 H GLY A 176 5.114 9.391 -0.070 1.00 15.00 H new ATOM 0 HA2 GLY A 176 3.681 9.667 -1.831 1.00 15.00 H new ATOM 0 HA3 GLY A 176 4.876 9.042 -2.951 1.00 15.00 H new ATOM 95 N TRP A 177 3.921 6.804 -0.868 1.00 15.00 N ATOM 96 CA TRP A 177 3.339 5.482 -0.713 1.00 15.00 C ATOM 97 C TRP A 177 2.382 5.457 0.470 1.00 15.00 C ATOM 98 O TRP A 177 2.664 6.028 1.523 1.00 15.00 O ATOM 99 CB TRP A 177 4.439 4.432 -0.516 1.00 15.00 C ATOM 100 CG TRP A 177 5.304 4.219 -1.721 1.00 15.00 C ATOM 101 CD1 TRP A 177 6.303 5.032 -2.165 1.00 15.00 C ATOM 102 CD2 TRP A 177 5.260 3.111 -2.627 1.00 15.00 C ATOM 103 NE1 TRP A 177 6.874 4.509 -3.296 1.00 15.00 N ATOM 104 CE2 TRP A 177 6.253 3.327 -3.600 1.00 15.00 C ATOM 105 CE3 TRP A 177 4.476 1.959 -2.712 1.00 15.00 C ATOM 106 CZ2 TRP A 177 6.481 2.434 -4.641 1.00 15.00 C ATOM 107 CZ3 TRP A 177 4.706 1.072 -3.744 1.00 15.00 C ATOM 108 CH2 TRP A 177 5.702 1.314 -4.695 1.00 15.00 C ATOM 0 H TRP A 177 4.479 7.111 -0.071 1.00 15.00 H new ATOM 0 HA TRP A 177 2.784 5.245 -1.620 1.00 15.00 H new ATOM 0 HB2 TRP A 177 5.069 4.734 0.321 1.00 15.00 H new ATOM 0 HB3 TRP A 177 3.977 3.484 -0.242 1.00 15.00 H new ATOM 0 HD1 TRP A 177 6.602 5.956 -1.693 1.00 15.00 H new ATOM 0 HE1 TRP A 177 7.637 4.931 -3.825 1.00 15.00 H new ATOM 0 HE3 TRP A 177 3.703 1.765 -1.983 1.00 15.00 H new ATOM 0 HZ2 TRP A 177 7.246 2.620 -5.380 1.00 15.00 H new ATOM 0 HZ3 TRP A 177 4.107 0.176 -3.818 1.00 15.00 H new ATOM 0 HH2 TRP A 177 5.859 0.599 -5.490 1.00 15.00 H new ATOM 119 N GLU A 178 1.253 4.795 0.286 1.00 15.00 N ATOM 120 CA GLU A 178 0.277 4.630 1.348 1.00 15.00 C ATOM 121 C GLU A 178 0.553 3.328 2.083 1.00 15.00 C ATOM 122 O GLU A 178 0.489 2.250 1.491 1.00 15.00 O ATOM 123 CB GLU A 178 -1.138 4.624 0.777 1.00 15.00 C ATOM 124 CG GLU A 178 -2.222 4.663 1.838 1.00 15.00 C ATOM 125 CD GLU A 178 -2.153 5.920 2.677 1.00 15.00 C ATOM 126 OE1 GLU A 178 -2.676 6.962 2.229 1.00 15.00 O ATOM 127 OE2 GLU A 178 -1.561 5.877 3.773 1.00 15.00 O1- ATOM 0 H GLU A 178 0.988 4.360 -0.598 1.00 15.00 H new ATOM 0 HA GLU A 178 0.359 5.465 2.044 1.00 15.00 H new ATOM 0 HB2 GLU A 178 -1.258 5.482 0.116 1.00 15.00 H new ATOM 0 HB3 GLU A 178 -1.271 3.731 0.167 1.00 15.00 H new ATOM 0 HG2 GLU A 178 -3.199 4.600 1.359 1.00 15.00 H new ATOM 0 HG3 GLU A 178 -2.127 3.791 2.485 1.00 15.00 H new ATOM 134 N MET A 179 0.850 3.431 3.365 1.00 15.00 N ATOM 135 CA MET A 179 1.336 2.291 4.125 1.00 15.00 C ATOM 136 C MET A 179 0.300 1.831 5.134 1.00 15.00 C ATOM 137 O MET A 179 0.029 2.534 6.108 1.00 15.00 O ATOM 138 CB MET A 179 2.630 2.665 4.862 1.00 15.00 C ATOM 139 CG MET A 179 3.513 3.654 4.109 1.00 15.00 C ATOM 140 SD MET A 179 4.103 3.032 2.522 1.00 15.00 S ATOM 141 CE MET A 179 5.359 1.871 3.045 1.00 15.00 C ATOM 0 H MET A 179 0.764 4.293 3.904 1.00 15.00 H new ATOM 0 HA MET A 179 1.532 1.477 3.427 1.00 15.00 H new ATOM 0 HB2 MET A 179 2.373 3.090 5.832 1.00 15.00 H new ATOM 0 HB3 MET A 179 3.202 1.757 5.053 1.00 15.00 H new ATOM 0 HG2 MET A 179 2.954 4.575 3.944 1.00 15.00 H new ATOM 0 HG3 MET A 179 4.371 3.909 4.731 1.00 15.00 H new ATOM 0 HE1 MET A 179 5.662 1.257 2.197 1.00 15.00 H new ATOM 0 HE2 MET A 179 6.223 2.416 3.425 1.00 15.00 H new ATOM 0 HE3 MET A 179 4.959 1.232 3.832 1.00 15.00 H new ATOM 151 N ALA A 180 -0.300 0.667 4.902 1.00 15.00 N ATOM 152 CA ALA A 180 -1.204 0.093 5.892 1.00 15.00 C ATOM 153 C ALA A 180 -1.201 -1.425 5.826 1.00 15.00 C ATOM 154 O ALA A 180 -1.077 -2.016 4.753 1.00 15.00 O ATOM 155 CB ALA A 180 -2.615 0.637 5.739 1.00 15.00 C ATOM 0 H ALA A 180 -0.180 0.112 4.054 1.00 15.00 H new ATOM 0 HA ALA A 180 -0.838 0.389 6.875 1.00 15.00 H new ATOM 0 HB1 ALA A 180 -3.262 0.188 6.493 1.00 15.00 H new ATOM 0 HB2 ALA A 180 -2.604 1.719 5.869 1.00 15.00 H new ATOM 0 HB3 ALA A 180 -2.993 0.395 4.746 1.00 15.00 H new ATOM 161 N LYS A 181 -1.331 -2.050 6.984 1.00 15.00 N ATOM 162 CA LYS A 181 -1.281 -3.498 7.082 1.00 15.00 C ATOM 163 C LYS A 181 -2.484 -4.000 7.880 1.00 15.00 C ATOM 164 O LYS A 181 -2.770 -3.492 8.966 1.00 15.00 O ATOM 165 CB LYS A 181 0.032 -3.935 7.751 1.00 15.00 C ATOM 166 CG LYS A 181 1.278 -3.284 7.150 1.00 15.00 C ATOM 167 CD LYS A 181 2.553 -3.881 7.725 1.00 15.00 C ATOM 168 CE LYS A 181 3.798 -3.171 7.205 1.00 15.00 C ATOM 169 NZ LYS A 181 3.955 -1.811 7.789 1.00 15.00 N1+ ATOM 0 H LYS A 181 -1.473 -1.573 7.874 1.00 15.00 H new ATOM 0 HA LYS A 181 -1.318 -3.930 6.082 1.00 15.00 H new ATOM 0 HB2 LYS A 181 -0.015 -3.695 8.813 1.00 15.00 H new ATOM 0 HB3 LYS A 181 0.126 -5.018 7.673 1.00 15.00 H new ATOM 0 HG2 LYS A 181 1.271 -3.413 6.068 1.00 15.00 H new ATOM 0 HG3 LYS A 181 1.258 -2.211 7.343 1.00 15.00 H new ATOM 0 HD2 LYS A 181 2.526 -3.816 8.813 1.00 15.00 H new ATOM 0 HD3 LYS A 181 2.605 -4.939 7.470 1.00 15.00 H new ATOM 0 HE2 LYS A 181 4.679 -3.769 7.438 1.00 15.00 H new ATOM 0 HE3 LYS A 181 3.743 -3.094 6.119 1.00 15.00 H new ATOM 0 HZ1 LYS A 181 4.857 -1.400 7.473 1.00 15.00 H new ATOM 0 HZ2 LYS A 181 3.170 -1.206 7.475 1.00 15.00 H new ATOM 0 HZ3 LYS A 181 3.949 -1.876 8.827 1.00 15.00 H new ATOM 183 N THR A 182 -3.179 -4.999 7.351 1.00 15.00 N ATOM 184 CA THR A 182 -4.385 -5.508 7.992 1.00 15.00 C ATOM 185 C THR A 182 -4.032 -6.630 8.965 1.00 15.00 C ATOM 186 O THR A 182 -3.047 -7.343 8.761 1.00 15.00 O ATOM 187 CB THR A 182 -5.410 -6.049 6.966 1.00 15.00 C ATOM 188 OG1 THR A 182 -4.949 -7.286 6.411 1.00 15.00 O ATOM 189 CG2 THR A 182 -5.649 -5.057 5.836 1.00 15.00 C ATOM 0 H THR A 182 -2.929 -5.472 6.482 1.00 15.00 H new ATOM 0 HA THR A 182 -4.837 -4.670 8.522 1.00 15.00 H new ATOM 0 HB THR A 182 -6.349 -6.205 7.496 1.00 15.00 H new ATOM 0 HG1 THR A 182 -5.627 -7.644 5.801 1.00 15.00 H new ATOM 0 HG21 THR A 182 -6.374 -5.471 5.135 1.00 15.00 H new ATOM 0 HG22 THR A 182 -6.034 -4.123 6.247 1.00 15.00 H new ATOM 0 HG23 THR A 182 -4.711 -4.865 5.316 1.00 15.00 H new ATOM 197 N SER A 183 -4.835 -6.772 10.020 1.00 15.00 N ATOM 198 CA SER A 183 -4.631 -7.803 11.038 1.00 15.00 C ATOM 199 C SER A 183 -4.727 -9.215 10.447 1.00 15.00 C ATOM 200 O SER A 183 -4.333 -10.195 11.081 1.00 15.00 O ATOM 201 CB SER A 183 -5.654 -7.622 12.160 1.00 15.00 C ATOM 202 OG SER A 183 -6.952 -7.393 11.627 1.00 15.00 O ATOM 0 H SER A 183 -5.645 -6.176 10.193 1.00 15.00 H new ATOM 0 HA SER A 183 -3.624 -7.690 11.440 1.00 15.00 H new ATOM 0 HB2 SER A 183 -5.667 -8.509 12.793 1.00 15.00 H new ATOM 0 HB3 SER A 183 -5.362 -6.784 12.792 1.00 15.00 H new ATOM 0 HG SER A 183 -7.592 -7.282 12.361 1.00 15.00 H new ATOM 208 N SER A 184 -5.270 -9.308 9.238 1.00 15.00 N ATOM 209 CA SER A 184 -5.314 -10.561 8.498 1.00 15.00 C ATOM 210 C SER A 184 -3.904 -10.927 8.026 1.00 15.00 C ATOM 211 O SER A 184 -3.637 -12.052 7.599 1.00 15.00 O ATOM 212 CB SER A 184 -6.276 -10.445 7.309 1.00 15.00 C ATOM 213 OG SER A 184 -6.574 -11.715 6.754 1.00 15.00 O ATOM 0 H SER A 184 -5.690 -8.519 8.746 1.00 15.00 H new ATOM 0 HA SER A 184 -5.682 -11.353 9.151 1.00 15.00 H new ATOM 0 HB2 SER A 184 -7.199 -9.963 7.632 1.00 15.00 H new ATOM 0 HB3 SER A 184 -5.834 -9.807 6.543 1.00 15.00 H new ATOM 0 HG SER A 184 -7.190 -11.606 6.000 1.00 15.00 H new ATOM 219 N GLY A 185 -3.011 -9.946 8.095 1.00 15.00 N ATOM 220 CA GLY A 185 -1.660 -10.120 7.614 1.00 15.00 C ATOM 221 C GLY A 185 -1.529 -9.729 6.161 1.00 15.00 C ATOM 222 O GLY A 185 -0.794 -10.356 5.400 1.00 15.00 O ATOM 0 H GLY A 185 -3.206 -9.023 8.482 1.00 15.00 H new ATOM 0 HA2 GLY A 185 -0.979 -9.518 8.216 1.00 15.00 H new ATOM 0 HA3 GLY A 185 -1.360 -11.161 7.739 1.00 15.00 H new ATOM 226 N GLN A 186 -2.252 -8.686 5.779 1.00 15.00 N ATOM 227 CA GLN A 186 -2.164 -8.150 4.428 1.00 15.00 C ATOM 228 C GLN A 186 -1.389 -6.847 4.438 1.00 15.00 C ATOM 229 O GLN A 186 -1.824 -5.859 5.029 1.00 15.00 O ATOM 230 CB GLN A 186 -3.554 -7.926 3.827 1.00 15.00 C ATOM 231 CG GLN A 186 -4.270 -9.211 3.455 1.00 15.00 C ATOM 232 CD GLN A 186 -5.763 -9.017 3.278 1.00 15.00 C ATOM 233 OE1 GLN A 186 -6.220 -7.933 2.923 1.00 15.00 O ATOM 234 NE2 GLN A 186 -6.530 -10.066 3.530 1.00 15.00 N ATOM 0 H GLN A 186 -2.907 -8.193 6.386 1.00 15.00 H new ATOM 0 HA GLN A 186 -1.641 -8.879 3.809 1.00 15.00 H new ATOM 0 HB2 GLN A 186 -4.165 -7.374 4.541 1.00 15.00 H new ATOM 0 HB3 GLN A 186 -3.460 -7.302 2.938 1.00 15.00 H new ATOM 0 HG2 GLN A 186 -3.846 -9.604 2.531 1.00 15.00 H new ATOM 0 HG3 GLN A 186 -4.094 -9.958 4.229 1.00 15.00 H new ATOM 0 HE21 GLN A 186 -6.108 -10.948 3.822 1.00 15.00 H new ATOM 0 HE22 GLN A 186 -7.543 -9.993 3.432 1.00 15.00 H new ATOM 243 N ARG A 187 -0.232 -6.860 3.805 1.00 15.00 N ATOM 244 CA ARG A 187 0.595 -5.674 3.712 1.00 15.00 C ATOM 245 C ARG A 187 0.442 -5.049 2.326 1.00 15.00 C ATOM 246 O ARG A 187 1.006 -5.537 1.346 1.00 15.00 O ATOM 247 CB ARG A 187 2.060 -6.020 4.021 1.00 15.00 C ATOM 248 CG ARG A 187 2.606 -7.177 3.195 1.00 15.00 C ATOM 249 CD ARG A 187 3.821 -7.820 3.841 1.00 15.00 C ATOM 250 NE ARG A 187 4.949 -6.901 3.974 1.00 15.00 N ATOM 251 CZ ARG A 187 6.058 -7.187 4.653 1.00 15.00 C ATOM 252 NH1 ARG A 187 6.180 -8.353 5.279 1.00 15.00 N1+ ATOM 253 NH2 ARG A 187 7.043 -6.304 4.701 1.00 15.00 N ATOM 0 H ARG A 187 0.157 -7.683 3.346 1.00 15.00 H new ATOM 0 HA ARG A 187 0.270 -4.942 4.452 1.00 15.00 H new ATOM 0 HB2 ARG A 187 2.676 -5.138 3.846 1.00 15.00 H new ATOM 0 HB3 ARG A 187 2.150 -6.267 5.079 1.00 15.00 H new ATOM 0 HG2 ARG A 187 1.826 -7.927 3.064 1.00 15.00 H new ATOM 0 HG3 ARG A 187 2.873 -6.818 2.201 1.00 15.00 H new ATOM 0 HD2 ARG A 187 3.546 -8.194 4.827 1.00 15.00 H new ATOM 0 HD3 ARG A 187 4.129 -8.681 3.247 1.00 15.00 H new ATOM 0 HE ARG A 187 4.883 -5.989 3.521 1.00 15.00 H new ATOM 0 HH11 ARG A 187 5.422 -9.034 5.241 1.00 15.00 H new ATOM 0 HH12 ARG A 187 7.032 -8.567 5.798 1.00 15.00 H new ATOM 0 HH21 ARG A 187 6.950 -5.410 4.219 1.00 15.00 H new ATOM 0 HH22 ARG A 187 7.895 -6.518 5.220 1.00 15.00 H new ATOM 267 N TYR A 188 -0.380 -4.013 2.225 1.00 15.00 N ATOM 268 CA TYR A 188 -0.607 -3.367 0.950 1.00 15.00 C ATOM 269 C TYR A 188 -0.030 -1.962 0.972 1.00 15.00 C ATOM 270 O TYR A 188 0.029 -1.305 2.027 1.00 15.00 O ATOM 271 CB TYR A 188 -2.107 -3.347 0.595 1.00 15.00 C ATOM 272 CG TYR A 188 -2.977 -2.598 1.582 1.00 15.00 C ATOM 273 CD1 TYR A 188 -2.861 -1.224 1.746 1.00 15.00 C ATOM 274 CD2 TYR A 188 -3.916 -3.270 2.345 1.00 15.00 C ATOM 275 CE1 TYR A 188 -3.644 -0.543 2.649 1.00 15.00 C ATOM 276 CE2 TYR A 188 -4.712 -2.592 3.253 1.00 15.00 C ATOM 277 CZ TYR A 188 -4.569 -1.231 3.403 1.00 15.00 C ATOM 278 OH TYR A 188 -5.356 -0.555 4.307 1.00 15.00 O ATOM 0 H TYR A 188 -0.895 -3.608 3.007 1.00 15.00 H new ATOM 0 HA TYR A 188 -0.098 -3.940 0.175 1.00 15.00 H new ATOM 0 HB2 TYR A 188 -2.228 -2.897 -0.391 1.00 15.00 H new ATOM 0 HB3 TYR A 188 -2.464 -4.374 0.523 1.00 15.00 H new ATOM 0 HD1 TYR A 188 -2.142 -0.679 1.153 1.00 15.00 H new ATOM 0 HD2 TYR A 188 -4.030 -4.338 2.231 1.00 15.00 H new ATOM 0 HE1 TYR A 188 -3.534 0.525 2.766 1.00 15.00 H new ATOM 0 HE2 TYR A 188 -5.442 -3.129 3.841 1.00 15.00 H new ATOM 0 HH TYR A 188 -5.956 -1.187 4.755 1.00 15.00 H new ATOM 288 N PHE A 189 0.391 -1.506 -0.190 1.00 15.00 N ATOM 289 CA PHE A 189 0.990 -0.200 -0.318 1.00 15.00 C ATOM 290 C PHE A 189 0.470 0.490 -1.572 1.00 15.00 C ATOM 291 O PHE A 189 0.547 -0.058 -2.668 1.00 15.00 O ATOM 292 CB PHE A 189 2.516 -0.339 -0.361 1.00 15.00 C ATOM 293 CG PHE A 189 3.083 -1.066 0.832 1.00 15.00 C ATOM 294 CD1 PHE A 189 3.325 -0.392 2.013 1.00 15.00 C ATOM 295 CD2 PHE A 189 3.365 -2.423 0.775 1.00 15.00 C ATOM 296 CE1 PHE A 189 3.838 -1.049 3.115 1.00 15.00 C ATOM 297 CE2 PHE A 189 3.877 -3.084 1.876 1.00 15.00 C ATOM 298 CZ PHE A 189 4.114 -2.392 3.048 1.00 15.00 C ATOM 0 H PHE A 189 0.327 -2.028 -1.064 1.00 15.00 H new ATOM 0 HA PHE A 189 0.721 0.412 0.542 1.00 15.00 H new ATOM 0 HB2 PHE A 189 2.800 -0.870 -1.270 1.00 15.00 H new ATOM 0 HB3 PHE A 189 2.963 0.654 -0.419 1.00 15.00 H new ATOM 0 HD1 PHE A 189 3.110 0.665 2.076 1.00 15.00 H new ATOM 0 HD2 PHE A 189 3.183 -2.969 -0.139 1.00 15.00 H new ATOM 0 HE1 PHE A 189 4.022 -0.505 4.030 1.00 15.00 H new ATOM 0 HE2 PHE A 189 4.092 -4.141 1.820 1.00 15.00 H new ATOM 0 HZ PHE A 189 4.515 -2.906 3.909 1.00 15.00 H new ATOM 308 N LEU A 190 -0.079 1.679 -1.408 1.00 15.00 N ATOM 309 CA LEU A 190 -0.572 2.447 -2.543 1.00 15.00 C ATOM 310 C LEU A 190 0.521 3.334 -3.107 1.00 15.00 C ATOM 311 O LEU A 190 1.302 3.905 -2.355 1.00 15.00 O ATOM 312 CB LEU A 190 -1.716 3.375 -2.143 1.00 15.00 C ATOM 313 CG LEU A 190 -3.142 2.843 -2.232 1.00 15.00 C ATOM 314 CD1 LEU A 190 -4.083 4.028 -2.388 1.00 15.00 C ATOM 315 CD2 LEU A 190 -3.309 1.878 -3.399 1.00 15.00 C ATOM 0 H LEU A 190 -0.196 2.136 -0.503 1.00 15.00 H new ATOM 0 HA LEU A 190 -0.912 1.717 -3.277 1.00 15.00 H new ATOM 0 HB2 LEU A 190 -1.543 3.692 -1.115 1.00 15.00 H new ATOM 0 HB3 LEU A 190 -1.654 4.267 -2.766 1.00 15.00 H new ATOM 0 HG LEU A 190 -3.374 2.288 -1.323 1.00 15.00 H new ATOM 0 HD11 LEU A 190 -5.111 3.670 -2.454 1.00 15.00 H new ATOM 0 HD12 LEU A 190 -3.983 4.688 -1.526 1.00 15.00 H new ATOM 0 HD13 LEU A 190 -3.831 4.576 -3.296 1.00 15.00 H new ATOM 0 HD21 LEU A 190 -4.338 1.520 -3.430 1.00 15.00 H new ATOM 0 HD22 LEU A 190 -3.075 2.391 -4.332 1.00 15.00 H new ATOM 0 HD23 LEU A 190 -2.634 1.032 -3.271 1.00 15.00 H new ATOM 327 N ASN A 191 0.559 3.494 -4.415 1.00 15.00 N ATOM 328 CA ASN A 191 1.360 4.547 -4.991 1.00 15.00 C ATOM 329 C ASN A 191 0.474 5.762 -5.158 1.00 15.00 C ATOM 330 O ASN A 191 -0.316 5.822 -6.106 1.00 15.00 O ATOM 331 CB ASN A 191 1.951 4.157 -6.351 1.00 15.00 C ATOM 332 CG ASN A 191 2.817 2.914 -6.314 1.00 15.00 C ATOM 333 OD1 ASN A 191 2.558 1.979 -5.559 1.00 15.00 O ATOM 334 ND2 ASN A 191 3.849 2.894 -7.143 1.00 15.00 N ATOM 0 H ASN A 191 0.053 2.917 -5.087 1.00 15.00 H new ATOM 0 HA ASN A 191 2.200 4.748 -4.326 1.00 15.00 H new ATOM 0 HB2 ASN A 191 1.136 3.999 -7.058 1.00 15.00 H new ATOM 0 HB3 ASN A 191 2.544 4.989 -6.730 1.00 15.00 H new ATOM 0 HD21 ASN A 191 4.465 2.081 -7.172 1.00 15.00 H new ATOM 0 HD22 ASN A 191 4.029 3.691 -7.753 1.00 15.00 H new ATOM 341 N HIS A 192 0.572 6.704 -4.214 1.00 15.00 N ATOM 342 CA HIS A 192 -0.253 7.918 -4.242 1.00 15.00 C ATOM 343 C HIS A 192 0.153 8.809 -5.416 1.00 15.00 C ATOM 344 O HIS A 192 -0.457 9.844 -5.665 1.00 15.00 O ATOM 345 CB HIS A 192 -0.131 8.720 -2.934 1.00 15.00 C ATOM 346 CG HIS A 192 -1.235 8.474 -1.938 1.00 15.00 C ATOM 347 ND1 HIS A 192 -2.439 9.154 -1.949 1.00 15.00 N ATOM 348 CD2 HIS A 192 -1.296 7.638 -0.875 1.00 15.00 C ATOM 349 CE1 HIS A 192 -3.184 8.744 -0.942 1.00 15.00 C ATOM 350 NE2 HIS A 192 -2.518 7.827 -0.270 1.00 15.00 N ATOM 0 H HIS A 192 1.213 6.650 -3.422 1.00 15.00 H new ATOM 0 HA HIS A 192 -1.290 7.601 -4.357 1.00 15.00 H new ATOM 0 HB2 HIS A 192 0.823 8.480 -2.465 1.00 15.00 H new ATOM 0 HB3 HIS A 192 -0.109 9.783 -3.176 1.00 15.00 H new ATOM 0 HD2 HIS A 192 -0.527 6.949 -0.559 1.00 15.00 H new ATOM 0 HE1 HIS A 192 -4.176 9.101 -0.707 1.00 15.00 H new ATOM 0 HE2 HIS A 192 -2.852 7.338 0.561 1.00 15.00 H new ATOM 359 N ILE A 193 1.210 8.407 -6.110 1.00 15.00 N ATOM 360 CA ILE A 193 1.687 9.128 -7.278 1.00 15.00 C ATOM 361 C ILE A 193 1.174 8.480 -8.561 1.00 15.00 C ATOM 362 O ILE A 193 0.730 9.163 -9.483 1.00 15.00 O ATOM 363 CB ILE A 193 3.233 9.165 -7.314 1.00 15.00 C ATOM 364 CG1 ILE A 193 3.780 9.725 -5.998 1.00 15.00 C ATOM 365 CG2 ILE A 193 3.720 9.994 -8.496 1.00 15.00 C ATOM 366 CD1 ILE A 193 5.291 9.701 -5.904 1.00 15.00 C ATOM 0 H ILE A 193 1.756 7.577 -5.879 1.00 15.00 H new ATOM 0 HA ILE A 193 1.306 10.147 -7.210 1.00 15.00 H new ATOM 0 HB ILE A 193 3.604 8.147 -7.437 1.00 15.00 H new ATOM 0 HG12 ILE A 193 3.434 10.752 -5.880 1.00 15.00 H new ATOM 0 HG13 ILE A 193 3.365 9.151 -5.169 1.00 15.00 H new ATOM 0 HG21 ILE A 193 4.810 10.009 -8.505 1.00 15.00 H new ATOM 0 HG22 ILE A 193 3.355 9.554 -9.424 1.00 15.00 H new ATOM 0 HG23 ILE A 193 3.344 11.013 -8.405 1.00 15.00 H new ATOM 0 HD11 ILE A 193 5.602 10.113 -4.944 1.00 15.00 H new ATOM 0 HD12 ILE A 193 5.645 8.673 -5.990 1.00 15.00 H new ATOM 0 HD13 ILE A 193 5.715 10.299 -6.711 1.00 15.00 H new ATOM 378 N ASP A 194 1.218 7.154 -8.603 1.00 15.00 N ATOM 379 CA ASP A 194 0.907 6.413 -9.824 1.00 15.00 C ATOM 380 C ASP A 194 -0.566 6.027 -9.905 1.00 15.00 C ATOM 381 O ASP A 194 -1.034 5.607 -10.964 1.00 15.00 O ATOM 382 CB ASP A 194 1.752 5.141 -9.927 1.00 15.00 C ATOM 383 CG ASP A 194 3.242 5.405 -9.936 1.00 15.00 C ATOM 384 OD1 ASP A 194 3.737 6.036 -10.892 1.00 15.00 O ATOM 385 OD2 ASP A 194 3.927 4.950 -8.996 1.00 15.00 O1- ATOM 0 H ASP A 194 1.466 6.567 -7.806 1.00 15.00 H new ATOM 0 HA ASP A 194 1.140 7.082 -10.652 1.00 15.00 H new ATOM 0 HB2 ASP A 194 1.512 4.486 -9.089 1.00 15.00 H new ATOM 0 HB3 ASP A 194 1.480 4.607 -10.837 1.00 15.00 H new ATOM 390 N GLN A 195 -1.279 6.124 -8.778 1.00 15.00 N ATOM 391 CA GLN A 195 -2.669 5.662 -8.696 1.00 15.00 C ATOM 392 C GLN A 195 -2.698 4.138 -8.815 1.00 15.00 C ATOM 393 O GLN A 195 -3.608 3.548 -9.392 1.00 15.00 O ATOM 394 CB GLN A 195 -3.530 6.336 -9.786 1.00 15.00 C ATOM 395 CG GLN A 195 -4.998 5.930 -9.774 1.00 15.00 C ATOM 396 CD GLN A 195 -5.810 6.644 -10.830 1.00 15.00 C ATOM 397 OE1 GLN A 195 -5.897 6.193 -11.970 1.00 15.00 O ATOM 398 NE2 GLN A 195 -6.435 7.744 -10.446 1.00 15.00 N ATOM 0 H GLN A 195 -0.917 6.518 -7.910 1.00 15.00 H new ATOM 0 HA GLN A 195 -3.094 5.943 -7.733 1.00 15.00 H new ATOM 0 HB2 GLN A 195 -3.464 7.417 -9.666 1.00 15.00 H new ATOM 0 HB3 GLN A 195 -3.108 6.098 -10.763 1.00 15.00 H new ATOM 0 HG2 GLN A 195 -5.074 4.854 -9.929 1.00 15.00 H new ATOM 0 HG3 GLN A 195 -5.421 6.141 -8.792 1.00 15.00 H new ATOM 0 HE21 GLN A 195 -6.333 8.081 -9.489 1.00 15.00 H new ATOM 0 HE22 GLN A 195 -7.019 8.256 -11.107 1.00 15.00 H new ATOM 407 N THR A 196 -1.714 3.493 -8.214 1.00 15.00 N ATOM 408 CA THR A 196 -1.608 2.049 -8.330 1.00 15.00 C ATOM 409 C THR A 196 -1.628 1.373 -6.968 1.00 15.00 C ATOM 410 O THR A 196 -1.206 1.950 -5.965 1.00 15.00 O ATOM 411 CB THR A 196 -0.338 1.631 -9.097 1.00 15.00 C ATOM 412 OG1 THR A 196 0.819 2.205 -8.485 1.00 15.00 O ATOM 413 CG2 THR A 196 -0.400 2.070 -10.550 1.00 15.00 C ATOM 0 H THR A 196 -0.989 3.936 -7.650 1.00 15.00 H new ATOM 0 HA THR A 196 -2.480 1.720 -8.895 1.00 15.00 H new ATOM 0 HB THR A 196 -0.276 0.543 -9.062 1.00 15.00 H new ATOM 0 HG1 THR A 196 1.620 1.932 -8.979 1.00 15.00 H new ATOM 0 HG21 THR A 196 0.510 1.760 -11.063 1.00 15.00 H new ATOM 0 HG22 THR A 196 -1.263 1.610 -11.032 1.00 15.00 H new ATOM 0 HG23 THR A 196 -0.492 3.155 -10.599 1.00 15.00 H new ATOM 421 N THR A 197 -2.141 0.153 -6.944 1.00 15.00 N ATOM 422 CA THR A 197 -2.246 -0.616 -5.721 1.00 15.00 C ATOM 423 C THR A 197 -1.211 -1.742 -5.724 1.00 15.00 C ATOM 424 O THR A 197 -1.232 -2.619 -6.589 1.00 15.00 O ATOM 425 CB THR A 197 -3.659 -1.200 -5.573 1.00 15.00 C ATOM 426 OG1 THR A 197 -4.625 -0.196 -5.920 1.00 15.00 O ATOM 427 CG2 THR A 197 -3.909 -1.669 -4.147 1.00 15.00 C ATOM 0 H THR A 197 -2.495 -0.328 -7.771 1.00 15.00 H new ATOM 0 HA THR A 197 -2.054 0.044 -4.875 1.00 15.00 H new ATOM 0 HB THR A 197 -3.751 -2.058 -6.239 1.00 15.00 H new ATOM 0 HG1 THR A 197 -5.528 -0.565 -5.828 1.00 15.00 H new ATOM 0 HG21 THR A 197 -4.916 -2.078 -4.070 1.00 15.00 H new ATOM 0 HG22 THR A 197 -3.184 -2.439 -3.885 1.00 15.00 H new ATOM 0 HG23 THR A 197 -3.806 -0.826 -3.463 1.00 15.00 H new ATOM 435 N THR A 198 -0.308 -1.701 -4.762 1.00 15.00 N ATOM 436 CA THR A 198 0.823 -2.610 -4.724 1.00 15.00 C ATOM 437 C THR A 198 0.648 -3.699 -3.647 1.00 15.00 C ATOM 438 O THR A 198 0.523 -3.386 -2.461 1.00 15.00 O ATOM 439 CB THR A 198 2.111 -1.805 -4.452 1.00 15.00 C ATOM 440 OG1 THR A 198 2.260 -0.778 -5.443 1.00 15.00 O ATOM 441 CG2 THR A 198 3.339 -2.693 -4.460 1.00 15.00 C ATOM 0 H THR A 198 -0.337 -1.039 -3.987 1.00 15.00 H new ATOM 0 HA THR A 198 0.889 -3.112 -5.689 1.00 15.00 H new ATOM 0 HB THR A 198 2.021 -1.360 -3.461 1.00 15.00 H new ATOM 0 HG1 THR A 198 2.349 0.092 -5.001 1.00 15.00 H new ATOM 0 HG21 THR A 198 4.226 -2.090 -4.265 1.00 15.00 H new ATOM 0 HG22 THR A 198 3.242 -3.456 -3.687 1.00 15.00 H new ATOM 0 HG23 THR A 198 3.434 -3.173 -5.434 1.00 15.00 H new ATOM 449 N TRP A 199 0.613 -4.973 -4.068 1.00 15.00 N ATOM 450 CA TRP A 199 0.596 -6.100 -3.130 1.00 15.00 C ATOM 451 C TRP A 199 2.010 -6.415 -2.632 1.00 15.00 C ATOM 452 O TRP A 199 2.191 -7.010 -1.568 1.00 15.00 O ATOM 453 CB TRP A 199 0.053 -7.375 -3.788 1.00 15.00 C ATOM 454 CG TRP A 199 -1.429 -7.613 -3.710 1.00 15.00 C ATOM 455 CD1 TRP A 199 -2.223 -8.043 -4.735 1.00 15.00 C ATOM 456 CD2 TRP A 199 -2.301 -7.465 -2.576 1.00 15.00 C ATOM 457 NE1 TRP A 199 -3.505 -8.225 -4.305 1.00 15.00 N ATOM 458 CE2 TRP A 199 -3.579 -7.878 -2.996 1.00 15.00 C ATOM 459 CE3 TRP A 199 -2.145 -7.045 -1.249 1.00 15.00 C ATOM 460 CZ2 TRP A 199 -4.665 -7.896 -2.155 1.00 15.00 C ATOM 461 CZ3 TRP A 199 -3.263 -7.042 -0.425 1.00 15.00 C ATOM 462 CH2 TRP A 199 -4.504 -7.483 -0.903 1.00 15.00 C ATOM 0 H TRP A 199 0.596 -5.245 -5.051 1.00 15.00 H new ATOM 0 HA TRP A 199 -0.049 -5.802 -2.304 1.00 15.00 H new ATOM 0 HB2 TRP A 199 0.337 -7.359 -4.840 1.00 15.00 H new ATOM 0 HB3 TRP A 199 0.556 -8.229 -3.335 1.00 15.00 H new ATOM 0 HD1 TRP A 199 -1.883 -8.215 -5.746 1.00 15.00 H new ATOM 0 HE1 TRP A 199 -4.280 -8.566 -4.874 1.00 15.00 H new ATOM 0 HE3 TRP A 199 -1.181 -6.732 -0.876 1.00 15.00 H new ATOM 0 HZ2 TRP A 199 -5.628 -8.238 -2.504 1.00 15.00 H new ATOM 0 HZ3 TRP A 199 -3.175 -6.696 0.594 1.00 15.00 H new ATOM 0 HH2 TRP A 199 -5.353 -7.487 -0.235 1.00 15.00 H new ATOM 473 N GLN A 200 3.002 -6.063 -3.440 1.00 15.00 N ATOM 474 CA GLN A 200 4.386 -6.427 -3.163 1.00 15.00 C ATOM 475 C GLN A 200 5.094 -5.323 -2.391 1.00 15.00 C ATOM 476 O GLN A 200 5.254 -4.219 -2.894 1.00 15.00 O ATOM 477 CB GLN A 200 5.121 -6.704 -4.478 1.00 15.00 C ATOM 478 CG GLN A 200 6.557 -7.182 -4.306 1.00 15.00 C ATOM 479 CD GLN A 200 6.651 -8.499 -3.560 1.00 15.00 C ATOM 480 OE1 GLN A 200 6.593 -9.571 -4.162 1.00 15.00 O ATOM 481 NE2 GLN A 200 6.825 -8.429 -2.249 1.00 15.00 N ATOM 0 H GLN A 200 2.873 -5.524 -4.296 1.00 15.00 H new ATOM 0 HA GLN A 200 4.391 -7.328 -2.549 1.00 15.00 H new ATOM 0 HB2 GLN A 200 4.565 -7.455 -5.040 1.00 15.00 H new ATOM 0 HB3 GLN A 200 5.123 -5.794 -5.078 1.00 15.00 H new ATOM 0 HG2 GLN A 200 7.019 -7.291 -5.287 1.00 15.00 H new ATOM 0 HG3 GLN A 200 7.126 -6.423 -3.768 1.00 15.00 H new ATOM 0 HE21 GLN A 200 6.868 -7.520 -1.788 1.00 15.00 H new ATOM 0 HE22 GLN A 200 6.916 -9.284 -1.700 1.00 15.00 H new ATOM 490 N ASP A 201 5.509 -5.634 -1.169 1.00 15.00 N ATOM 491 CA ASP A 201 6.216 -4.673 -0.318 1.00 15.00 C ATOM 492 C ASP A 201 7.419 -4.067 -1.051 1.00 15.00 C ATOM 493 O ASP A 201 8.381 -4.772 -1.366 1.00 15.00 O ATOM 494 CB ASP A 201 6.679 -5.360 0.969 1.00 15.00 C ATOM 495 CG ASP A 201 7.193 -4.377 2.003 1.00 15.00 C ATOM 496 OD1 ASP A 201 8.184 -3.681 1.725 1.00 15.00 O ATOM 497 OD2 ASP A 201 6.607 -4.312 3.104 1.00 15.00 O1- ATOM 0 H ASP A 201 5.369 -6.549 -0.739 1.00 15.00 H new ATOM 0 HA ASP A 201 5.528 -3.865 -0.070 1.00 15.00 H new ATOM 0 HB2 ASP A 201 5.850 -5.926 1.393 1.00 15.00 H new ATOM 0 HB3 ASP A 201 7.466 -6.076 0.731 1.00 15.00 H new ATOM 502 N PRO A 202 7.362 -2.754 -1.349 1.00 15.00 N ATOM 503 CA PRO A 202 8.431 -2.052 -2.068 1.00 15.00 C ATOM 504 C PRO A 202 9.752 -1.998 -1.304 1.00 15.00 C ATOM 505 O PRO A 202 10.784 -1.656 -1.879 1.00 15.00 O ATOM 506 CB PRO A 202 7.882 -0.640 -2.288 1.00 15.00 C ATOM 507 CG PRO A 202 6.766 -0.482 -1.312 1.00 15.00 C ATOM 508 CD PRO A 202 6.228 -1.863 -1.044 1.00 15.00 C ATOM 0 HA PRO A 202 8.674 -2.575 -2.993 1.00 15.00 H new ATOM 0 HB2 PRO A 202 8.655 0.110 -2.123 1.00 15.00 H new ATOM 0 HB3 PRO A 202 7.528 -0.513 -3.311 1.00 15.00 H new ATOM 0 HG2 PRO A 202 7.120 -0.019 -0.391 1.00 15.00 H new ATOM 0 HG3 PRO A 202 5.987 0.165 -1.716 1.00 15.00 H new ATOM 0 HD2 PRO A 202 5.903 -1.971 -0.009 1.00 15.00 H new ATOM 0 HD3 PRO A 202 5.366 -2.084 -1.673 1.00 15.00 H new ATOM 516 N ARG A 203 9.728 -2.293 -0.009 1.00 15.00 N ATOM 517 CA ARG A 203 10.947 -2.279 0.787 1.00 15.00 C ATOM 518 C ARG A 203 11.743 -3.554 0.552 1.00 15.00 C ATOM 519 O ARG A 203 12.917 -3.639 0.909 1.00 15.00 O ATOM 520 CB ARG A 203 10.651 -2.116 2.281 1.00 15.00 C ATOM 521 CG ARG A 203 9.923 -0.830 2.631 1.00 15.00 C ATOM 522 CD ARG A 203 10.637 0.392 2.070 1.00 15.00 C ATOM 523 NE ARG A 203 12.058 0.412 2.408 1.00 15.00 N ATOM 524 CZ ARG A 203 12.990 1.037 1.690 1.00 15.00 C ATOM 525 NH1 ARG A 203 12.653 1.749 0.622 1.00 15.00 N1+ ATOM 526 NH2 ARG A 203 14.262 0.959 2.053 1.00 15.00 N ATOM 0 H ARG A 203 8.885 -2.543 0.507 1.00 15.00 H new ATOM 0 HA ARG A 203 11.536 -1.419 0.469 1.00 15.00 H new ATOM 0 HB2 ARG A 203 10.052 -2.963 2.617 1.00 15.00 H new ATOM 0 HB3 ARG A 203 11.590 -2.151 2.833 1.00 15.00 H new ATOM 0 HG2 ARG A 203 8.907 -0.869 2.239 1.00 15.00 H new ATOM 0 HG3 ARG A 203 9.844 -0.740 3.714 1.00 15.00 H new ATOM 0 HD2 ARG A 203 10.524 0.409 0.986 1.00 15.00 H new ATOM 0 HD3 ARG A 203 10.162 1.295 2.454 1.00 15.00 H new ATOM 0 HE ARG A 203 12.356 -0.085 3.248 1.00 15.00 H new ATOM 0 HH11 ARG A 203 11.674 1.821 0.345 1.00 15.00 H new ATOM 0 HH12 ARG A 203 13.373 2.224 0.078 1.00 15.00 H new ATOM 0 HH21 ARG A 203 14.524 0.422 2.879 1.00 15.00 H new ATOM 0 HH22 ARG A 203 14.979 1.436 1.506 1.00 15.00 H new ATOM 540 N LYS A 204 11.089 -4.547 -0.043 1.00 15.00 N ATOM 541 CA LYS A 204 11.748 -5.802 -0.383 1.00 15.00 C ATOM 542 C LYS A 204 12.693 -5.616 -1.563 1.00 15.00 C ATOM 543 O LYS A 204 13.523 -6.481 -1.847 1.00 15.00 O ATOM 544 CB LYS A 204 10.724 -6.897 -0.700 1.00 15.00 C ATOM 545 CG LYS A 204 9.912 -7.345 0.507 1.00 15.00 C ATOM 546 CD LYS A 204 10.791 -7.913 1.618 1.00 15.00 C ATOM 547 CE LYS A 204 11.354 -9.296 1.282 1.00 15.00 C ATOM 548 NZ LYS A 204 12.372 -9.262 0.196 1.00 15.00 N1+ ATOM 0 H LYS A 204 10.103 -4.506 -0.300 1.00 15.00 H new ATOM 0 HA LYS A 204 12.328 -6.114 0.486 1.00 15.00 H new ATOM 0 HB2 LYS A 204 10.043 -6.533 -1.470 1.00 15.00 H new ATOM 0 HB3 LYS A 204 11.245 -7.759 -1.116 1.00 15.00 H new ATOM 0 HG2 LYS A 204 9.343 -6.499 0.893 1.00 15.00 H new ATOM 0 HG3 LYS A 204 9.190 -8.100 0.196 1.00 15.00 H new ATOM 0 HD2 LYS A 204 11.616 -7.227 1.809 1.00 15.00 H new ATOM 0 HD3 LYS A 204 10.210 -7.976 2.538 1.00 15.00 H new ATOM 0 HE2 LYS A 204 11.801 -9.728 2.178 1.00 15.00 H new ATOM 0 HE3 LYS A 204 10.536 -9.953 0.985 1.00 15.00 H new ATOM 0 HZ1 LYS A 204 13.094 -9.989 0.374 1.00 15.00 H new ATOM 0 HZ2 LYS A 204 11.911 -9.447 -0.718 1.00 15.00 H new ATOM 0 HZ3 LYS A 204 12.823 -8.325 0.172 1.00 15.00 H new ATOM 562 N ALA A 205 12.543 -4.498 -2.260 1.00 15.00 N ATOM 563 CA ALA A 205 13.402 -4.180 -3.388 1.00 15.00 C ATOM 564 C ALA A 205 14.569 -3.311 -2.932 1.00 15.00 C ATOM 565 O ALA A 205 15.620 -3.875 -2.564 1.00 15.00 O ATOM 566 CB ALA A 205 12.610 -3.482 -4.485 1.00 15.00 C ATOM 567 OXT ALA A 205 14.429 -2.071 -2.929 1.00 15.00 O ATOM 0 H ALA A 205 11.831 -3.795 -2.062 1.00 15.00 H new ATOM 0 HA ALA A 205 13.799 -5.110 -3.795 1.00 15.00 H new ATOM 0 HB1 ALA A 205 13.271 -3.252 -5.321 1.00 15.00 H new ATOM 0 HB2 ALA A 205 11.807 -4.136 -4.826 1.00 15.00 H new ATOM 0 HB3 ALA A 205 12.184 -2.558 -4.094 1.00 15.00 H new TER 573 ALA A 205 ATOM 574 N GLY B 204 -2.493 -15.879 -4.687 1.00 15.00 N ATOM 575 CA GLY B 204 -3.928 -15.660 -4.979 1.00 15.00 C ATOM 576 C GLY B 204 -4.562 -14.738 -3.964 1.00 15.00 C ATOM 577 O GLY B 204 -5.207 -15.188 -3.016 1.00 15.00 O ATOM 0 HA2 GLY B 204 -4.037 -15.235 -5.977 1.00 15.00 H new ATOM 0 HA3 GLY B 204 -4.451 -16.616 -4.981 1.00 15.00 H new ATOM 583 N GLU B 205 -4.389 -13.442 -4.174 1.00 15.00 N ATOM 584 CA GLU B 205 -4.838 -12.447 -3.219 1.00 15.00 C ATOM 585 C GLU B 205 -6.266 -12.039 -3.543 1.00 15.00 C ATOM 586 O GLU B 205 -6.678 -12.051 -4.706 1.00 15.00 O ATOM 587 CB GLU B 205 -3.948 -11.191 -3.251 1.00 15.00 C ATOM 588 CG GLU B 205 -2.456 -11.429 -3.512 1.00 15.00 C ATOM 589 CD GLU B 205 -1.850 -12.578 -2.726 1.00 15.00 C ATOM 590 OE1 GLU B 205 -1.480 -12.374 -1.557 1.00 15.00 O1- ATOM 591 OE2 GLU B 205 -1.700 -13.683 -3.300 1.00 15.00 O ATOM 0 H GLU B 205 -3.938 -13.056 -5.003 1.00 15.00 H new ATOM 0 HA GLU B 205 -4.780 -12.890 -2.225 1.00 15.00 H new ATOM 0 HB2 GLU B 205 -4.328 -10.520 -4.021 1.00 15.00 H new ATOM 0 HB3 GLU B 205 -4.051 -10.673 -2.298 1.00 15.00 H new ATOM 0 HG2 GLU B 205 -2.313 -11.619 -4.576 1.00 15.00 H new ATOM 0 HG3 GLU B 205 -1.909 -10.516 -3.275 1.00 15.00 H new ATOM 598 N SER B 206 -7.004 -11.660 -2.522 1.00 15.00 N ATOM 599 CA SER B 206 -8.346 -11.150 -2.699 1.00 15.00 C ATOM 600 C SER B 206 -8.242 -9.642 -2.886 1.00 15.00 C ATOM 601 O SER B 206 -7.329 -9.027 -2.339 1.00 15.00 O ATOM 602 CB SER B 206 -9.180 -11.488 -1.461 1.00 15.00 C ATOM 603 OG SER B 206 -9.031 -12.857 -1.106 1.00 15.00 O ATOM 0 H SER B 206 -6.693 -11.696 -1.551 1.00 15.00 H new ATOM 0 HA SER B 206 -8.830 -11.597 -3.567 1.00 15.00 H new ATOM 0 HB2 SER B 206 -8.873 -10.857 -0.627 1.00 15.00 H new ATOM 0 HB3 SER B 206 -10.230 -11.271 -1.655 1.00 15.00 H new ATOM 0 HG SER B 206 -9.571 -13.050 -0.311 1.00 15.00 H new ATOM 609 N PRO B 207 -9.170 -9.023 -3.641 1.00 15.00 N ATOM 610 CA PRO B 207 -9.051 -7.613 -4.050 1.00 15.00 C ATOM 611 C PRO B 207 -8.706 -6.693 -2.882 1.00 15.00 C ATOM 612 O PRO B 207 -9.315 -6.768 -1.815 1.00 15.00 O ATOM 613 CB PRO B 207 -10.445 -7.293 -4.588 1.00 15.00 C ATOM 614 CG PRO B 207 -10.964 -8.597 -5.083 1.00 15.00 C ATOM 615 CD PRO B 207 -10.403 -9.645 -4.160 1.00 15.00 C ATOM 0 HA PRO B 207 -8.249 -7.461 -4.772 1.00 15.00 H new ATOM 0 HB2 PRO B 207 -11.086 -6.881 -3.808 1.00 15.00 H new ATOM 0 HB3 PRO B 207 -10.401 -6.554 -5.388 1.00 15.00 H new ATOM 0 HG2 PRO B 207 -12.054 -8.612 -5.073 1.00 15.00 H new ATOM 0 HG3 PRO B 207 -10.652 -8.776 -6.112 1.00 15.00 H new ATOM 0 HD2 PRO B 207 -11.099 -9.887 -3.357 1.00 15.00 H new ATOM 0 HD3 PRO B 207 -10.192 -10.574 -4.689 1.00 15.00 H new ATOM 623 N PRO B 208 -7.728 -5.796 -3.085 1.00 15.00 N ATOM 624 CA PRO B 208 -7.134 -4.965 -2.057 1.00 15.00 C ATOM 625 C PRO B 208 -7.854 -3.607 -2.005 1.00 15.00 C ATOM 626 O PRO B 208 -8.798 -3.380 -2.764 1.00 15.00 O ATOM 627 CB PRO B 208 -5.666 -4.824 -2.578 1.00 15.00 C ATOM 628 CG PRO B 208 -5.689 -5.427 -3.960 1.00 15.00 C ATOM 629 CD PRO B 208 -7.128 -5.396 -4.337 1.00 15.00 C ATOM 0 HA PRO B 208 -7.195 -5.366 -1.045 1.00 15.00 H new ATOM 0 HB2 PRO B 208 -5.355 -3.780 -2.607 1.00 15.00 H new ATOM 0 HB3 PRO B 208 -4.964 -5.348 -1.929 1.00 15.00 H new ATOM 0 HG2 PRO B 208 -5.080 -4.852 -4.658 1.00 15.00 H new ATOM 0 HG3 PRO B 208 -5.298 -6.444 -3.959 1.00 15.00 H new ATOM 0 HD2 PRO B 208 -7.453 -4.406 -4.657 1.00 15.00 H new ATOM 0 HD3 PRO B 208 -7.360 -6.085 -5.149 1.00 15.00 H new ATOM 637 N PRO B 209 -7.435 -2.700 -1.112 1.00 15.00 N ATOM 638 CA PRO B 209 -8.036 -1.365 -0.981 1.00 15.00 C ATOM 639 C PRO B 209 -8.206 -0.612 -2.299 1.00 15.00 C ATOM 640 O PRO B 209 -7.381 -0.727 -3.209 1.00 15.00 O ATOM 641 CB PRO B 209 -7.012 -0.595 -0.168 1.00 15.00 C ATOM 642 CG PRO B 209 -6.158 -1.593 0.520 1.00 15.00 C ATOM 643 CD PRO B 209 -6.376 -2.930 -0.125 1.00 15.00 C ATOM 0 HA PRO B 209 -9.034 -1.460 -0.554 1.00 15.00 H new ATOM 0 HB2 PRO B 209 -6.411 0.046 -0.813 1.00 15.00 H new ATOM 0 HB3 PRO B 209 -7.505 0.054 0.556 1.00 15.00 H new ATOM 0 HG2 PRO B 209 -5.109 -1.306 0.451 1.00 15.00 H new ATOM 0 HG3 PRO B 209 -6.407 -1.639 1.580 1.00 15.00 H new ATOM 0 HD2 PRO B 209 -5.465 -3.294 -0.600 1.00 15.00 H new ATOM 0 HD3 PRO B 209 -6.674 -3.679 0.608 1.00 15.00 H new ATOM 651 N PRO B 210 -9.274 0.196 -2.391 1.00 15.00 N ATOM 652 CA PRO B 210 -9.445 1.166 -3.472 1.00 15.00 C ATOM 653 C PRO B 210 -8.433 2.306 -3.342 1.00 15.00 C ATOM 654 O PRO B 210 -8.062 2.696 -2.233 1.00 15.00 O ATOM 655 CB PRO B 210 -10.873 1.682 -3.265 1.00 15.00 C ATOM 656 CG PRO B 210 -11.146 1.467 -1.819 1.00 15.00 C ATOM 657 CD PRO B 210 -10.404 0.218 -1.444 1.00 15.00 C ATOM 0 HA PRO B 210 -9.287 0.735 -4.460 1.00 15.00 H new ATOM 0 HB2 PRO B 210 -10.956 2.736 -3.531 1.00 15.00 H new ATOM 0 HB3 PRO B 210 -11.584 1.139 -3.887 1.00 15.00 H new ATOM 0 HG2 PRO B 210 -10.806 2.316 -1.226 1.00 15.00 H new ATOM 0 HG3 PRO B 210 -12.215 1.357 -1.635 1.00 15.00 H new ATOM 0 HD2 PRO B 210 -10.061 0.249 -0.410 1.00 15.00 H new ATOM 0 HD3 PRO B 210 -11.031 -0.668 -1.545 1.00 15.00 H new ATOM 665 N TYR B 211 -8.018 2.854 -4.469 1.00 15.00 N ATOM 666 CA TYR B 211 -6.974 3.869 -4.497 1.00 15.00 C ATOM 667 C TYR B 211 -7.496 5.266 -4.124 1.00 15.00 C ATOM 668 O TYR B 211 -6.702 6.169 -3.863 1.00 15.00 O ATOM 669 CB TYR B 211 -6.258 3.906 -5.868 1.00 15.00 C ATOM 670 CG TYR B 211 -5.326 5.087 -6.005 1.00 15.00 C ATOM 671 CD1 TYR B 211 -4.037 5.029 -5.508 1.00 15.00 C ATOM 672 CD2 TYR B 211 -5.755 6.281 -6.582 1.00 15.00 C ATOM 673 CE1 TYR B 211 -3.200 6.117 -5.576 1.00 15.00 C ATOM 674 CE2 TYR B 211 -4.918 7.375 -6.662 1.00 15.00 C ATOM 675 CZ TYR B 211 -3.642 7.289 -6.154 1.00 15.00 C ATOM 676 OH TYR B 211 -2.803 8.373 -6.224 1.00 15.00 O ATOM 0 H TYR B 211 -8.391 2.612 -5.387 1.00 15.00 H new ATOM 0 HA TYR B 211 -6.250 3.581 -3.735 1.00 15.00 H new ATOM 0 HB2 TYR B 211 -5.693 2.984 -6.003 1.00 15.00 H new ATOM 0 HB3 TYR B 211 -7.004 3.942 -6.662 1.00 15.00 H new ATOM 0 HD1 TYR B 211 -3.682 4.113 -5.059 1.00 15.00 H new ATOM 0 HD2 TYR B 211 -6.759 6.351 -6.973 1.00 15.00 H new ATOM 0 HE1 TYR B 211 -2.198 6.055 -5.178 1.00 15.00 H new ATOM 0 HE2 TYR B 211 -5.261 8.291 -7.119 1.00 15.00 H new ATOM 0 HH TYR B 211 -3.267 9.118 -6.661 1.00 15.00 H new ATOM 686 N SER B 212 -8.810 5.433 -4.013 1.00 15.00 N ATOM 687 CA SER B 212 -9.419 6.751 -4.183 1.00 15.00 C ATOM 688 C SER B 212 -8.868 7.776 -3.185 1.00 15.00 C ATOM 689 O SER B 212 -8.247 8.752 -3.608 1.00 15.00 O ATOM 690 CB SER B 212 -10.936 6.641 -4.032 1.00 15.00 C ATOM 691 OG SER B 212 -11.452 5.576 -4.814 1.00 15.00 O ATOM 0 H SER B 212 -9.469 4.682 -3.808 1.00 15.00 H new ATOM 0 HA SER B 212 -9.169 7.103 -5.184 1.00 15.00 H new ATOM 0 HB2 SER B 212 -11.189 6.482 -2.984 1.00 15.00 H new ATOM 0 HB3 SER B 212 -11.403 7.578 -4.335 1.00 15.00 H new ATOM 0 HG SER B 212 -12.424 5.526 -4.698 1.00 15.00 H new ATOM 697 N ARG B 213 -9.094 7.612 -1.888 1.00 15.00 N ATOM 698 CA ARG B 213 -8.367 8.443 -0.937 1.00 15.00 C ATOM 699 C ARG B 213 -7.536 7.594 0.018 1.00 15.00 C ATOM 700 O ARG B 213 -6.309 7.551 -0.071 1.00 15.00 O ATOM 701 CB ARG B 213 -9.330 9.319 -0.132 1.00 15.00 C ATOM 702 CG ARG B 213 -10.062 10.368 -0.951 1.00 15.00 C ATOM 703 CD ARG B 213 -9.122 11.442 -1.481 1.00 15.00 C ATOM 704 NE ARG B 213 -9.864 12.494 -2.180 1.00 15.00 N ATOM 705 CZ ARG B 213 -9.528 13.786 -2.194 1.00 15.00 C ATOM 706 NH1 ARG B 213 -8.424 14.205 -1.590 1.00 15.00 N1+ ATOM 707 NH2 ARG B 213 -10.296 14.665 -2.832 1.00 15.00 N ATOM 0 H ARG B 213 -9.746 6.941 -1.482 1.00 15.00 H new ATOM 0 HA ARG B 213 -7.696 9.081 -1.512 1.00 15.00 H new ATOM 0 HB2 ARG B 213 -10.065 8.677 0.354 1.00 15.00 H new ATOM 0 HB3 ARG B 213 -8.771 9.819 0.659 1.00 15.00 H new ATOM 0 HG2 ARG B 213 -10.568 9.886 -1.787 1.00 15.00 H new ATOM 0 HG3 ARG B 213 -10.833 10.833 -0.337 1.00 15.00 H new ATOM 0 HD2 ARG B 213 -8.559 11.877 -0.655 1.00 15.00 H new ATOM 0 HD3 ARG B 213 -8.397 10.992 -2.159 1.00 15.00 H new ATOM 0 HE ARG B 213 -10.700 12.219 -2.695 1.00 15.00 H new ATOM 0 HH11 ARG B 213 -7.822 13.538 -1.108 1.00 15.00 H new ATOM 0 HH12 ARG B 213 -8.177 15.195 -1.607 1.00 15.00 H new ATOM 0 HH21 ARG B 213 -11.141 14.352 -3.310 1.00 15.00 H new ATOM 0 HH22 ARG B 213 -10.040 15.652 -2.843 1.00 15.00 H new ATOM 721 N TYR B 214 -8.229 6.900 0.913 1.00 15.00 N ATOM 722 CA TYR B 214 -7.589 6.041 1.897 1.00 15.00 C ATOM 723 C TYR B 214 -8.079 4.608 1.744 1.00 15.00 C ATOM 724 O TYR B 214 -9.270 4.380 1.544 1.00 15.00 O ATOM 725 CB TYR B 214 -7.853 6.569 3.315 1.00 15.00 C ATOM 726 CG TYR B 214 -6.995 7.771 3.683 1.00 15.00 C ATOM 727 CD1 TYR B 214 -6.829 8.832 2.800 1.00 15.00 C ATOM 728 CD2 TYR B 214 -6.344 7.836 4.909 1.00 15.00 C ATOM 729 CE1 TYR B 214 -6.045 9.920 3.120 1.00 15.00 C ATOM 730 CE2 TYR B 214 -5.557 8.925 5.241 1.00 15.00 C ATOM 731 CZ TYR B 214 -5.411 9.964 4.343 1.00 15.00 C ATOM 732 OH TYR B 214 -4.633 11.049 4.671 1.00 15.00 O ATOM 0 H TYR B 214 -9.247 6.918 0.976 1.00 15.00 H new ATOM 0 HA TYR B 214 -6.512 6.049 1.728 1.00 15.00 H new ATOM 0 HB2 TYR B 214 -8.905 6.842 3.403 1.00 15.00 H new ATOM 0 HB3 TYR B 214 -7.671 5.769 4.032 1.00 15.00 H new ATOM 0 HD1 TYR B 214 -7.326 8.803 1.841 1.00 15.00 H new ATOM 0 HD2 TYR B 214 -6.454 7.025 5.613 1.00 15.00 H new ATOM 0 HE1 TYR B 214 -5.928 10.732 2.417 1.00 15.00 H new ATOM 0 HE2 TYR B 214 -5.059 8.962 6.199 1.00 15.00 H new ATOM 0 HH TYR B 214 -4.259 10.924 5.568 1.00 15.00 H new ATOM 742 N PRO B 215 -7.173 3.627 1.854 1.00 15.00 N ATOM 743 CA PRO B 215 -7.536 2.210 1.774 1.00 15.00 C ATOM 744 C PRO B 215 -8.528 1.804 2.855 1.00 15.00 C ATOM 745 O PRO B 215 -9.518 1.122 2.589 1.00 15.00 O ATOM 746 CB PRO B 215 -6.208 1.486 1.998 1.00 15.00 C ATOM 747 CG PRO B 215 -5.163 2.480 1.648 1.00 15.00 C ATOM 748 CD PRO B 215 -5.725 3.818 2.032 1.00 15.00 C ATOM 0 HA PRO B 215 -8.019 1.974 0.826 1.00 15.00 H new ATOM 0 HB2 PRO B 215 -6.108 1.156 3.032 1.00 15.00 H new ATOM 0 HB3 PRO B 215 -6.133 0.597 1.371 1.00 15.00 H new ATOM 0 HG2 PRO B 215 -4.236 2.277 2.184 1.00 15.00 H new ATOM 0 HG3 PRO B 215 -4.931 2.445 0.584 1.00 15.00 H new ATOM 0 HD2 PRO B 215 -5.475 4.082 3.060 1.00 15.00 H new ATOM 0 HD3 PRO B 215 -5.341 4.616 1.396 1.00 15.00 H new ATOM 756 N MET B 216 -8.239 2.220 4.075 1.00 15.00 N ATOM 757 CA MET B 216 -9.093 1.926 5.211 1.00 15.00 C ATOM 758 C MET B 216 -8.981 3.040 6.235 1.00 15.00 C ATOM 759 O MET B 216 -7.878 3.455 6.589 1.00 15.00 O ATOM 760 CB MET B 216 -8.704 0.599 5.859 1.00 15.00 C ATOM 761 CG MET B 216 -9.495 0.295 7.124 1.00 15.00 C ATOM 762 SD MET B 216 -11.032 -0.607 6.815 1.00 15.00 S ATOM 763 CE MET B 216 -12.014 0.611 5.941 1.00 15.00 C ATOM 0 H MET B 216 -7.410 2.768 4.305 1.00 15.00 H new ATOM 0 HA MET B 216 -10.121 1.850 4.856 1.00 15.00 H new ATOM 0 HB2 MET B 216 -8.856 -0.207 5.141 1.00 15.00 H new ATOM 0 HB3 MET B 216 -7.641 0.617 6.098 1.00 15.00 H new ATOM 0 HG2 MET B 216 -8.871 -0.288 7.802 1.00 15.00 H new ATOM 0 HG3 MET B 216 -9.728 1.231 7.631 1.00 15.00 H new ATOM 0 HE1 MET B 216 -13.057 0.294 5.926 1.00 15.00 H new ATOM 0 HE2 MET B 216 -11.934 1.573 6.447 1.00 15.00 H new ATOM 0 HE3 MET B 216 -11.649 0.707 4.918 1.00 15.00 H new ATOM 773 N ASP B 217 -10.117 3.509 6.711 1.00 15.00 N ATOM 774 CA ASP B 217 -10.148 4.580 7.688 1.00 15.00 C ATOM 775 C ASP B 217 -11.353 4.417 8.598 1.00 15.00 C ATOM 776 O ASP B 217 -11.197 3.848 9.694 1.00 15.00 O ATOM 777 CB ASP B 217 -10.197 5.923 6.969 1.00 15.00 C ATOM 778 CG ASP B 217 -10.323 7.103 7.917 1.00 15.00 C ATOM 779 OD1 ASP B 217 -9.383 7.346 8.700 1.00 15.00 O ATOM 780 OD2 ASP B 217 -11.358 7.803 7.870 1.00 15.00 O1- ATOM 781 OXT ASP B 217 -12.463 4.823 8.197 1.00 15.00 O ATOM 0 H ASP B 217 -11.036 3.163 6.435 1.00 15.00 H new ATOM 0 HA ASP B 217 -9.247 4.541 8.300 1.00 15.00 H new ATOM 0 HB2 ASP B 217 -9.294 6.041 6.370 1.00 15.00 H new ATOM 0 HB3 ASP B 217 -11.040 5.928 6.278 1.00 15.00 H new TER 786 ASP B 217