USER MOD reduce.3.24.130724 H: found=0, std=0, add=296, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 297 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= 1.05 K(o=1.7,f=-5.3!) USER MOD Set 1.2: A 198 THR OG1 : rot 132:sc= 0.701 USER MOD Set 2.1: A 182 THR OG1 : rot 111:sc= -1.37! USER MOD Set 2.2: A 184 SER OG : rot 180:sc= 1.04 USER MOD Set 2.3: A 186 GLN : amide:sc= -1.43! K(o=-1.8!,f=-0.63) USER MOD Single : A 179 MET CE :methyl 171:sc= -5.39! (180deg=-5.96!) USER MOD Single : A 181 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 183 SER OG : rot 180:sc= 0 USER MOD Single : A 188 TYR OH : rot 180:sc= -0.713 USER MOD Single : A 192 HIS : no HD1:sc= -1.14! C(o=-1.1!,f=-5.1!) USER MOD Single : A 195 GLN : amide:sc= 0 K(o=0,f=-0.62) USER MOD Single : A 196 THR OG1 : rot 180:sc= -0.567 USER MOD Single : A 197 THR OG1 : rot 180:sc= 0 USER MOD Single : A 200 GLN : amide:sc= 0 X(o=0,f=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 ----------------------------------------------------------------- ATOM 45 N LEU A 173 9.603 3.562 5.375 1.00 15.00 N ATOM 46 CA LEU A 173 8.391 3.747 4.591 1.00 15.00 C ATOM 47 C LEU A 173 8.666 4.714 3.443 1.00 15.00 C ATOM 48 O LEU A 173 8.835 5.913 3.671 1.00 15.00 O ATOM 49 CB LEU A 173 7.247 4.288 5.464 1.00 15.00 C ATOM 50 CG LEU A 173 6.775 3.374 6.601 1.00 15.00 C ATOM 51 CD1 LEU A 173 5.745 4.093 7.457 1.00 15.00 C ATOM 52 CD2 LEU A 173 6.186 2.081 6.052 1.00 15.00 C ATOM 0 HA LEU A 173 8.088 2.779 4.192 1.00 15.00 H new ATOM 0 HB2 LEU A 173 7.565 5.237 5.896 1.00 15.00 H new ATOM 0 HB3 LEU A 173 6.395 4.501 4.819 1.00 15.00 H new ATOM 0 HG LEU A 173 7.639 3.122 7.216 1.00 15.00 H new ATOM 0 HD11 LEU A 173 5.417 3.435 8.261 1.00 15.00 H new ATOM 0 HD12 LEU A 173 6.190 4.992 7.883 1.00 15.00 H new ATOM 0 HD13 LEU A 173 4.889 4.368 6.841 1.00 15.00 H new ATOM 0 HD21 LEU A 173 5.859 1.450 6.879 1.00 15.00 H new ATOM 0 HD22 LEU A 173 5.334 2.312 5.413 1.00 15.00 H new ATOM 0 HD23 LEU A 173 6.943 1.554 5.471 1.00 15.00 H new ATOM 64 N PRO A 174 8.766 4.196 2.206 1.00 15.00 N ATOM 65 CA PRO A 174 9.018 5.014 1.011 1.00 15.00 C ATOM 66 C PRO A 174 8.019 6.162 0.865 1.00 15.00 C ATOM 67 O PRO A 174 6.849 6.033 1.230 1.00 15.00 O ATOM 68 CB PRO A 174 8.863 4.014 -0.141 1.00 15.00 C ATOM 69 CG PRO A 174 9.163 2.691 0.467 1.00 15.00 C ATOM 70 CD PRO A 174 8.648 2.765 1.875 1.00 15.00 C ATOM 0 HA PRO A 174 9.995 5.497 1.047 1.00 15.00 H new ATOM 0 HB2 PRO A 174 7.855 4.040 -0.556 1.00 15.00 H new ATOM 0 HB3 PRO A 174 9.549 4.240 -0.957 1.00 15.00 H new ATOM 0 HG2 PRO A 174 8.677 1.887 -0.086 1.00 15.00 H new ATOM 0 HG3 PRO A 174 10.234 2.487 0.452 1.00 15.00 H new ATOM 0 HD2 PRO A 174 7.616 2.420 1.944 1.00 15.00 H new ATOM 0 HD3 PRO A 174 9.237 2.146 2.552 1.00 15.00 H new ATOM 78 N ALA A 175 8.475 7.264 0.281 1.00 15.00 N ATOM 79 CA ALA A 175 7.655 8.459 0.172 1.00 15.00 C ATOM 80 C ALA A 175 6.845 8.443 -1.118 1.00 15.00 C ATOM 81 O ALA A 175 7.359 8.105 -2.184 1.00 15.00 O ATOM 82 CB ALA A 175 8.525 9.706 0.239 1.00 15.00 C ATOM 0 H ALA A 175 9.407 7.352 -0.123 1.00 15.00 H new ATOM 0 HA ALA A 175 6.959 8.474 1.011 1.00 15.00 H new ATOM 0 HB1 ALA A 175 7.897 10.593 0.156 1.00 15.00 H new ATOM 0 HB2 ALA A 175 9.058 9.727 1.189 1.00 15.00 H new ATOM 0 HB3 ALA A 175 9.244 9.693 -0.580 1.00 15.00 H new ATOM 88 N GLY A 176 5.582 8.819 -1.003 1.00 15.00 N ATOM 89 CA GLY A 176 4.663 8.747 -2.119 1.00 15.00 C ATOM 90 C GLY A 176 3.961 7.408 -2.154 1.00 15.00 C ATOM 91 O GLY A 176 3.310 7.051 -3.141 1.00 15.00 O ATOM 0 H GLY A 176 5.171 9.179 -0.141 1.00 15.00 H new ATOM 0 HA2 GLY A 176 3.926 9.546 -2.041 1.00 15.00 H new ATOM 0 HA3 GLY A 176 5.205 8.903 -3.052 1.00 15.00 H new ATOM 95 N TRP A 177 4.061 6.693 -1.042 1.00 15.00 N ATOM 96 CA TRP A 177 3.444 5.386 -0.892 1.00 15.00 C ATOM 97 C TRP A 177 2.511 5.400 0.316 1.00 15.00 C ATOM 98 O TRP A 177 2.826 5.991 1.349 1.00 15.00 O ATOM 99 CB TRP A 177 4.511 4.294 -0.714 1.00 15.00 C ATOM 100 CG TRP A 177 5.410 4.091 -1.903 1.00 15.00 C ATOM 101 CD1 TRP A 177 6.418 4.913 -2.314 1.00 15.00 C ATOM 102 CD2 TRP A 177 5.405 2.982 -2.813 1.00 15.00 C ATOM 103 NE1 TRP A 177 7.028 4.396 -3.430 1.00 15.00 N ATOM 104 CE2 TRP A 177 6.424 3.211 -3.756 1.00 15.00 C ATOM 105 CE3 TRP A 177 4.636 1.820 -2.928 1.00 15.00 C ATOM 106 CZ2 TRP A 177 6.693 2.323 -4.794 1.00 15.00 C ATOM 107 CZ3 TRP A 177 4.907 0.937 -3.959 1.00 15.00 C ATOM 108 CH2 TRP A 177 5.928 1.195 -4.878 1.00 15.00 C ATOM 0 H TRP A 177 4.574 7.005 -0.218 1.00 15.00 H new ATOM 0 HA TRP A 177 2.874 5.164 -1.794 1.00 15.00 H new ATOM 0 HB2 TRP A 177 5.126 4.544 0.150 1.00 15.00 H new ATOM 0 HB3 TRP A 177 4.012 3.352 -0.488 1.00 15.00 H new ATOM 0 HD1 TRP A 177 6.696 5.838 -1.831 1.00 15.00 H new ATOM 0 HE1 TRP A 177 7.804 4.825 -3.934 1.00 15.00 H new ATOM 0 HE3 TRP A 177 3.843 1.615 -2.224 1.00 15.00 H new ATOM 0 HZ2 TRP A 177 7.479 2.519 -5.508 1.00 15.00 H new ATOM 0 HZ3 TRP A 177 4.321 0.035 -4.055 1.00 15.00 H new ATOM 0 HH2 TRP A 177 6.116 0.487 -5.672 1.00 15.00 H new ATOM 119 N GLU A 178 1.367 4.756 0.174 1.00 15.00 N ATOM 120 CA GLU A 178 0.404 4.640 1.253 1.00 15.00 C ATOM 121 C GLU A 178 0.671 3.349 2.014 1.00 15.00 C ATOM 122 O GLU A 178 0.541 2.259 1.456 1.00 15.00 O ATOM 123 CB GLU A 178 -1.018 4.645 0.688 1.00 15.00 C ATOM 124 CG GLU A 178 -2.095 4.768 1.748 1.00 15.00 C ATOM 125 CD GLU A 178 -2.035 6.100 2.464 1.00 15.00 C ATOM 126 OE1 GLU A 178 -2.618 7.077 1.951 1.00 15.00 O ATOM 127 OE2 GLU A 178 -1.394 6.181 3.530 1.00 15.00 O1- ATOM 0 H GLU A 178 1.080 4.299 -0.692 1.00 15.00 H new ATOM 0 HA GLU A 178 0.504 5.487 1.932 1.00 15.00 H new ATOM 0 HB2 GLU A 178 -1.117 5.472 -0.015 1.00 15.00 H new ATOM 0 HB3 GLU A 178 -1.179 3.726 0.124 1.00 15.00 H new ATOM 0 HG2 GLU A 178 -3.075 4.649 1.285 1.00 15.00 H new ATOM 0 HG3 GLU A 178 -1.984 3.961 2.473 1.00 15.00 H new ATOM 134 N MET A 179 1.047 3.473 3.280 1.00 15.00 N ATOM 135 CA MET A 179 1.555 2.331 4.031 1.00 15.00 C ATOM 136 C MET A 179 0.556 1.861 5.078 1.00 15.00 C ATOM 137 O MET A 179 0.344 2.541 6.086 1.00 15.00 O ATOM 138 CB MET A 179 2.877 2.699 4.725 1.00 15.00 C ATOM 139 CG MET A 179 3.752 3.662 3.932 1.00 15.00 C ATOM 140 SD MET A 179 4.246 3.020 2.322 1.00 15.00 S ATOM 141 CE MET A 179 5.506 1.838 2.781 1.00 15.00 C ATOM 0 H MET A 179 1.011 4.346 3.806 1.00 15.00 H new ATOM 0 HA MET A 179 1.720 1.520 3.322 1.00 15.00 H new ATOM 0 HB2 MET A 179 2.654 3.143 5.695 1.00 15.00 H new ATOM 0 HB3 MET A 179 3.441 1.786 4.915 1.00 15.00 H new ATOM 0 HG2 MET A 179 3.213 4.599 3.791 1.00 15.00 H new ATOM 0 HG3 MET A 179 4.645 3.892 4.513 1.00 15.00 H new ATOM 0 HE1 MET A 179 5.789 1.250 1.908 1.00 15.00 H new ATOM 0 HE2 MET A 179 6.380 2.367 3.161 1.00 15.00 H new ATOM 0 HE3 MET A 179 5.118 1.175 3.555 1.00 15.00 H new ATOM 151 N ALA A 180 -0.081 0.718 4.835 1.00 15.00 N ATOM 152 CA ALA A 180 -0.964 0.125 5.833 1.00 15.00 C ATOM 153 C ALA A 180 -0.992 -1.395 5.709 1.00 15.00 C ATOM 154 O ALA A 180 -0.867 -1.944 4.614 1.00 15.00 O ATOM 155 CB ALA A 180 -2.362 0.706 5.731 1.00 15.00 C ATOM 0 H ALA A 180 -0.003 0.190 3.966 1.00 15.00 H new ATOM 0 HA ALA A 180 -0.568 0.370 6.819 1.00 15.00 H new ATOM 0 HB1 ALA A 180 -3.002 0.248 6.485 1.00 15.00 H new ATOM 0 HB2 ALA A 180 -2.321 1.783 5.895 1.00 15.00 H new ATOM 0 HB3 ALA A 180 -2.768 0.505 4.740 1.00 15.00 H new ATOM 161 N LYS A 181 -1.152 -2.068 6.841 1.00 15.00 N ATOM 162 CA LYS A 181 -1.124 -3.526 6.887 1.00 15.00 C ATOM 163 C LYS A 181 -2.297 -4.050 7.715 1.00 15.00 C ATOM 164 O LYS A 181 -2.494 -3.624 8.855 1.00 15.00 O ATOM 165 CB LYS A 181 0.198 -3.993 7.508 1.00 15.00 C ATOM 166 CG LYS A 181 1.428 -3.327 6.908 1.00 15.00 C ATOM 167 CD LYS A 181 2.646 -3.503 7.797 1.00 15.00 C ATOM 168 CE LYS A 181 3.808 -2.635 7.338 1.00 15.00 C ATOM 169 NZ LYS A 181 4.906 -2.610 8.341 1.00 15.00 N1+ ATOM 0 H LYS A 181 -1.304 -1.624 7.747 1.00 15.00 H new ATOM 0 HA LYS A 181 -1.208 -3.916 5.873 1.00 15.00 H new ATOM 0 HB2 LYS A 181 0.175 -3.795 8.580 1.00 15.00 H new ATOM 0 HB3 LYS A 181 0.285 -5.073 7.385 1.00 15.00 H new ATOM 0 HG2 LYS A 181 1.630 -3.752 5.925 1.00 15.00 H new ATOM 0 HG3 LYS A 181 1.233 -2.264 6.762 1.00 15.00 H new ATOM 0 HD2 LYS A 181 2.386 -3.249 8.825 1.00 15.00 H new ATOM 0 HD3 LYS A 181 2.950 -4.550 7.794 1.00 15.00 H new ATOM 0 HE2 LYS A 181 4.190 -3.011 6.389 1.00 15.00 H new ATOM 0 HE3 LYS A 181 3.455 -1.619 7.159 1.00 15.00 H new ATOM 0 HZ1 LYS A 181 5.680 -2.009 7.993 1.00 15.00 H new ATOM 0 HZ2 LYS A 181 4.547 -2.228 9.239 1.00 15.00 H new ATOM 0 HZ3 LYS A 181 5.260 -3.576 8.493 1.00 15.00 H new ATOM 183 N THR A 182 -3.070 -4.971 7.154 1.00 15.00 N ATOM 184 CA THR A 182 -4.213 -5.529 7.867 1.00 15.00 C ATOM 185 C THR A 182 -3.807 -6.777 8.651 1.00 15.00 C ATOM 186 O THR A 182 -2.923 -7.527 8.221 1.00 15.00 O ATOM 187 CB THR A 182 -5.369 -5.889 6.909 1.00 15.00 C ATOM 188 OG1 THR A 182 -4.948 -6.898 5.987 1.00 15.00 O ATOM 189 CG2 THR A 182 -5.842 -4.669 6.135 1.00 15.00 C ATOM 0 H THR A 182 -2.929 -5.345 6.216 1.00 15.00 H new ATOM 0 HA THR A 182 -4.560 -4.759 8.556 1.00 15.00 H new ATOM 0 HB THR A 182 -6.197 -6.262 7.512 1.00 15.00 H new ATOM 0 HG1 THR A 182 -5.417 -7.736 6.183 1.00 15.00 H new ATOM 0 HG21 THR A 182 -6.656 -4.954 5.469 1.00 15.00 H new ATOM 0 HG22 THR A 182 -6.193 -3.909 6.833 1.00 15.00 H new ATOM 0 HG23 THR A 182 -5.016 -4.268 5.547 1.00 15.00 H new ATOM 197 N SER A 183 -4.472 -7.003 9.784 1.00 15.00 N ATOM 198 CA SER A 183 -4.167 -8.129 10.671 1.00 15.00 C ATOM 199 C SER A 183 -4.408 -9.484 9.992 1.00 15.00 C ATOM 200 O SER A 183 -3.960 -10.522 10.481 1.00 15.00 O ATOM 201 CB SER A 183 -5.010 -8.021 11.940 1.00 15.00 C ATOM 202 OG SER A 183 -4.876 -6.737 12.529 1.00 15.00 O ATOM 0 H SER A 183 -5.236 -6.413 10.114 1.00 15.00 H new ATOM 0 HA SER A 183 -3.107 -8.078 10.922 1.00 15.00 H new ATOM 0 HB2 SER A 183 -6.057 -8.209 11.703 1.00 15.00 H new ATOM 0 HB3 SER A 183 -4.702 -8.786 12.652 1.00 15.00 H new ATOM 0 HG SER A 183 -5.426 -6.690 13.339 1.00 15.00 H new ATOM 208 N SER A 184 -5.128 -9.465 8.877 1.00 15.00 N ATOM 209 CA SER A 184 -5.349 -10.658 8.073 1.00 15.00 C ATOM 210 C SER A 184 -4.055 -11.091 7.387 1.00 15.00 C ATOM 211 O SER A 184 -3.947 -12.202 6.867 1.00 15.00 O ATOM 212 CB SER A 184 -6.462 -10.421 7.051 1.00 15.00 C ATOM 213 OG SER A 184 -6.246 -9.230 6.310 1.00 15.00 O ATOM 0 H SER A 184 -5.573 -8.625 8.507 1.00 15.00 H new ATOM 0 HA SER A 184 -5.666 -11.465 8.733 1.00 15.00 H new ATOM 0 HB2 SER A 184 -6.517 -11.270 6.369 1.00 15.00 H new ATOM 0 HB3 SER A 184 -7.422 -10.362 7.564 1.00 15.00 H new ATOM 0 HG SER A 184 -6.974 -9.109 5.665 1.00 15.00 H new ATOM 219 N GLY A 185 -3.079 -10.190 7.381 1.00 15.00 N ATOM 220 CA GLY A 185 -1.835 -10.433 6.689 1.00 15.00 C ATOM 221 C GLY A 185 -1.878 -9.944 5.260 1.00 15.00 C ATOM 222 O GLY A 185 -1.410 -10.621 4.343 1.00 15.00 O ATOM 0 H GLY A 185 -3.133 -9.286 7.850 1.00 15.00 H new ATOM 0 HA2 GLY A 185 -1.022 -9.935 7.218 1.00 15.00 H new ATOM 0 HA3 GLY A 185 -1.616 -11.501 6.700 1.00 15.00 H new ATOM 226 N GLN A 186 -2.452 -8.763 5.078 1.00 15.00 N ATOM 227 CA GLN A 186 -2.427 -8.086 3.790 1.00 15.00 C ATOM 228 C GLN A 186 -1.550 -6.852 3.889 1.00 15.00 C ATOM 229 O GLN A 186 -1.899 -5.884 4.569 1.00 15.00 O ATOM 230 CB GLN A 186 -3.832 -7.682 3.337 1.00 15.00 C ATOM 231 CG GLN A 186 -4.738 -8.858 3.014 1.00 15.00 C ATOM 232 CD GLN A 186 -6.176 -8.434 2.777 1.00 15.00 C ATOM 233 OE1 GLN A 186 -6.905 -9.065 2.013 1.00 15.00 O ATOM 234 NE2 GLN A 186 -6.599 -7.370 3.444 1.00 15.00 N ATOM 0 H GLN A 186 -2.943 -8.252 5.811 1.00 15.00 H new ATOM 0 HA GLN A 186 -2.023 -8.778 3.051 1.00 15.00 H new ATOM 0 HB2 GLN A 186 -4.297 -7.082 4.120 1.00 15.00 H new ATOM 0 HB3 GLN A 186 -3.750 -7.047 2.455 1.00 15.00 H new ATOM 0 HG2 GLN A 186 -4.362 -9.370 2.128 1.00 15.00 H new ATOM 0 HG3 GLN A 186 -4.704 -9.575 3.834 1.00 15.00 H new ATOM 0 HE21 GLN A 186 -5.963 -6.874 4.068 1.00 15.00 H new ATOM 0 HE22 GLN A 186 -7.560 -7.047 3.333 1.00 15.00 H new ATOM 243 N ARG A 187 -0.400 -6.903 3.247 1.00 15.00 N ATOM 244 CA ARG A 187 0.514 -5.777 3.251 1.00 15.00 C ATOM 245 C ARG A 187 0.350 -4.985 1.957 1.00 15.00 C ATOM 246 O ARG A 187 0.897 -5.344 0.920 1.00 15.00 O ATOM 247 CB ARG A 187 1.965 -6.255 3.442 1.00 15.00 C ATOM 248 CG ARG A 187 2.441 -7.252 2.390 1.00 15.00 C ATOM 249 CD ARG A 187 3.753 -7.911 2.787 1.00 15.00 C ATOM 250 NE ARG A 187 4.796 -6.938 3.112 1.00 15.00 N ATOM 251 CZ ARG A 187 5.741 -7.150 4.028 1.00 15.00 C ATOM 252 NH1 ARG A 187 5.793 -8.308 4.673 1.00 15.00 N1+ ATOM 253 NH2 ARG A 187 6.646 -6.218 4.287 1.00 15.00 N ATOM 0 H ARG A 187 -0.076 -7.711 2.716 1.00 15.00 H new ATOM 0 HA ARG A 187 0.278 -5.122 4.089 1.00 15.00 H new ATOM 0 HB2 ARG A 187 2.625 -5.388 3.429 1.00 15.00 H new ATOM 0 HB3 ARG A 187 2.058 -6.712 4.427 1.00 15.00 H new ATOM 0 HG2 ARG A 187 1.679 -8.018 2.245 1.00 15.00 H new ATOM 0 HG3 ARG A 187 2.566 -6.741 1.435 1.00 15.00 H new ATOM 0 HD2 ARG A 187 3.584 -8.558 3.648 1.00 15.00 H new ATOM 0 HD3 ARG A 187 4.097 -8.548 1.972 1.00 15.00 H new ATOM 0 HE ARG A 187 4.800 -6.050 2.611 1.00 15.00 H new ATOM 0 HH11 ARG A 187 5.110 -9.037 4.468 1.00 15.00 H new ATOM 0 HH12 ARG A 187 6.516 -8.469 5.374 1.00 15.00 H new ATOM 0 HH21 ARG A 187 6.623 -5.331 3.784 1.00 15.00 H new ATOM 0 HH22 ARG A 187 7.366 -6.387 4.989 1.00 15.00 H new ATOM 267 N TYR A 188 -0.452 -3.934 1.999 1.00 15.00 N ATOM 268 CA TYR A 188 -0.726 -3.182 0.794 1.00 15.00 C ATOM 269 C TYR A 188 -0.053 -1.825 0.841 1.00 15.00 C ATOM 270 O TYR A 188 0.024 -1.173 1.892 1.00 15.00 O ATOM 271 CB TYR A 188 -2.237 -3.042 0.548 1.00 15.00 C ATOM 272 CG TYR A 188 -2.995 -2.259 1.597 1.00 15.00 C ATOM 273 CD1 TYR A 188 -2.866 -0.879 1.697 1.00 15.00 C ATOM 274 CD2 TYR A 188 -3.855 -2.899 2.476 1.00 15.00 C ATOM 275 CE1 TYR A 188 -3.564 -0.162 2.643 1.00 15.00 C ATOM 276 CE2 TYR A 188 -4.561 -2.184 3.428 1.00 15.00 C ATOM 277 CZ TYR A 188 -4.410 -0.820 3.508 1.00 15.00 C ATOM 278 OH TYR A 188 -5.118 -0.108 4.450 1.00 15.00 O ATOM 0 H TYR A 188 -0.916 -3.590 2.840 1.00 15.00 H new ATOM 0 HA TYR A 188 -0.309 -3.739 -0.046 1.00 15.00 H new ATOM 0 HB2 TYR A 188 -2.388 -2.562 -0.419 1.00 15.00 H new ATOM 0 HB3 TYR A 188 -2.671 -4.040 0.479 1.00 15.00 H new ATOM 0 HD1 TYR A 188 -2.205 -0.359 1.019 1.00 15.00 H new ATOM 0 HD2 TYR A 188 -3.976 -3.971 2.417 1.00 15.00 H new ATOM 0 HE1 TYR A 188 -3.449 0.910 2.706 1.00 15.00 H new ATOM 0 HE2 TYR A 188 -5.228 -2.696 4.106 1.00 15.00 H new ATOM 0 HH TYR A 188 -5.669 -0.723 4.979 1.00 15.00 H new ATOM 288 N PHE A 189 0.435 -1.412 -0.308 1.00 15.00 N ATOM 289 CA PHE A 189 1.070 -0.128 -0.448 1.00 15.00 C ATOM 290 C PHE A 189 0.528 0.569 -1.684 1.00 15.00 C ATOM 291 O PHE A 189 0.555 0.018 -2.781 1.00 15.00 O ATOM 292 CB PHE A 189 2.588 -0.300 -0.546 1.00 15.00 C ATOM 293 CG PHE A 189 3.182 -1.088 0.589 1.00 15.00 C ATOM 294 CD1 PHE A 189 3.424 -0.484 1.807 1.00 15.00 C ATOM 295 CD2 PHE A 189 3.497 -2.427 0.437 1.00 15.00 C ATOM 296 CE1 PHE A 189 3.968 -1.195 2.858 1.00 15.00 C ATOM 297 CE2 PHE A 189 4.043 -3.145 1.486 1.00 15.00 C ATOM 298 CZ PHE A 189 4.277 -2.528 2.699 1.00 15.00 C ATOM 0 H PHE A 189 0.401 -1.959 -1.168 1.00 15.00 H new ATOM 0 HA PHE A 189 0.853 0.484 0.427 1.00 15.00 H new ATOM 0 HB2 PHE A 189 2.829 -0.796 -1.486 1.00 15.00 H new ATOM 0 HB3 PHE A 189 3.055 0.684 -0.577 1.00 15.00 H new ATOM 0 HD1 PHE A 189 3.184 0.561 1.939 1.00 15.00 H new ATOM 0 HD2 PHE A 189 3.315 -2.916 -0.509 1.00 15.00 H new ATOM 0 HE1 PHE A 189 4.151 -0.707 3.804 1.00 15.00 H new ATOM 0 HE2 PHE A 189 4.286 -4.189 1.356 1.00 15.00 H new ATOM 0 HZ PHE A 189 4.700 -3.088 3.520 1.00 15.00 H new ATOM 308 N LEU A 190 0.022 1.769 -1.507 1.00 15.00 N ATOM 309 CA LEU A 190 -0.481 2.543 -2.628 1.00 15.00 C ATOM 310 C LEU A 190 0.615 3.394 -3.234 1.00 15.00 C ATOM 311 O LEU A 190 1.377 4.022 -2.512 1.00 15.00 O ATOM 312 CB LEU A 190 -1.585 3.503 -2.194 1.00 15.00 C ATOM 313 CG LEU A 190 -3.022 3.006 -2.241 1.00 15.00 C ATOM 314 CD1 LEU A 190 -3.929 4.197 -2.498 1.00 15.00 C ATOM 315 CD2 LEU A 190 -3.215 1.955 -3.324 1.00 15.00 C ATOM 0 H LEU A 190 -0.054 2.232 -0.601 1.00 15.00 H new ATOM 0 HA LEU A 190 -0.862 1.820 -3.349 1.00 15.00 H new ATOM 0 HB2 LEU A 190 -1.373 3.816 -1.172 1.00 15.00 H new ATOM 0 HB3 LEU A 190 -1.519 4.393 -2.820 1.00 15.00 H new ATOM 0 HG LEU A 190 -3.269 2.536 -1.289 1.00 15.00 H new ATOM 0 HD11 LEU A 190 -4.966 3.863 -2.536 1.00 15.00 H new ATOM 0 HD12 LEU A 190 -3.811 4.924 -1.695 1.00 15.00 H new ATOM 0 HD13 LEU A 190 -3.662 4.659 -3.448 1.00 15.00 H new ATOM 0 HD21 LEU A 190 -4.253 1.623 -3.328 1.00 15.00 H new ATOM 0 HD22 LEU A 190 -2.967 2.383 -4.295 1.00 15.00 H new ATOM 0 HD23 LEU A 190 -2.563 1.104 -3.126 1.00 15.00 H new ATOM 327 N ASN A 191 0.683 3.466 -4.546 1.00 15.00 N ATOM 328 CA ASN A 191 1.479 4.498 -5.159 1.00 15.00 C ATOM 329 C ASN A 191 0.587 5.702 -5.361 1.00 15.00 C ATOM 330 O ASN A 191 -0.189 5.738 -6.317 1.00 15.00 O ATOM 331 CB ASN A 191 2.079 4.070 -6.502 1.00 15.00 C ATOM 332 CG ASN A 191 2.971 2.849 -6.414 1.00 15.00 C ATOM 333 OD1 ASN A 191 2.706 1.918 -5.657 1.00 15.00 O ATOM 334 ND2 ASN A 191 4.043 2.848 -7.191 1.00 15.00 N ATOM 0 H ASN A 191 0.208 2.837 -5.193 1.00 15.00 H new ATOM 0 HA ASN A 191 2.321 4.722 -4.504 1.00 15.00 H new ATOM 0 HB2 ASN A 191 1.269 3.866 -7.202 1.00 15.00 H new ATOM 0 HB3 ASN A 191 2.655 4.900 -6.913 1.00 15.00 H new ATOM 0 HD21 ASN A 191 4.684 2.055 -7.175 1.00 15.00 H new ATOM 0 HD22 ASN A 191 4.228 3.641 -7.806 1.00 15.00 H new ATOM 341 N HIS A 192 0.651 6.660 -4.430 1.00 15.00 N ATOM 342 CA HIS A 192 -0.174 7.869 -4.513 1.00 15.00 C ATOM 343 C HIS A 192 0.275 8.724 -5.695 1.00 15.00 C ATOM 344 O HIS A 192 -0.385 9.690 -6.068 1.00 15.00 O ATOM 345 CB HIS A 192 -0.101 8.702 -3.221 1.00 15.00 C ATOM 346 CG HIS A 192 -1.209 8.436 -2.236 1.00 15.00 C ATOM 347 ND1 HIS A 192 -2.408 9.122 -2.238 1.00 15.00 N ATOM 348 CD2 HIS A 192 -1.282 7.578 -1.192 1.00 15.00 C ATOM 349 CE1 HIS A 192 -3.160 8.697 -1.243 1.00 15.00 C ATOM 350 NE2 HIS A 192 -2.505 7.762 -0.588 1.00 15.00 N ATOM 0 H HIS A 192 1.262 6.622 -3.614 1.00 15.00 H new ATOM 0 HA HIS A 192 -1.208 7.553 -4.652 1.00 15.00 H new ATOM 0 HB2 HIS A 192 0.854 8.508 -2.733 1.00 15.00 H new ATOM 0 HB3 HIS A 192 -0.115 9.759 -3.486 1.00 15.00 H new ATOM 0 HD2 HIS A 192 -0.519 6.876 -0.888 1.00 15.00 H new ATOM 0 HE1 HIS A 192 -4.150 9.056 -1.004 1.00 15.00 H new ATOM 0 HE2 HIS A 192 -2.847 7.258 0.230 1.00 15.00 H new ATOM 359 N ILE A 193 1.423 8.367 -6.255 1.00 15.00 N ATOM 360 CA ILE A 193 1.975 9.058 -7.407 1.00 15.00 C ATOM 361 C ILE A 193 1.606 8.333 -8.700 1.00 15.00 C ATOM 362 O ILE A 193 1.385 8.958 -9.739 1.00 15.00 O ATOM 363 CB ILE A 193 3.515 9.152 -7.302 1.00 15.00 C ATOM 364 CG1 ILE A 193 3.919 9.779 -5.963 1.00 15.00 C ATOM 365 CG2 ILE A 193 4.089 9.958 -8.461 1.00 15.00 C ATOM 366 CD1 ILE A 193 5.414 9.792 -5.723 1.00 15.00 C ATOM 0 H ILE A 193 1.995 7.591 -5.922 1.00 15.00 H new ATOM 0 HA ILE A 193 1.552 10.063 -7.424 1.00 15.00 H new ATOM 0 HB ILE A 193 3.924 8.143 -7.354 1.00 15.00 H new ATOM 0 HG12 ILE A 193 3.545 10.802 -5.923 1.00 15.00 H new ATOM 0 HG13 ILE A 193 3.435 9.231 -5.155 1.00 15.00 H new ATOM 0 HG21 ILE A 193 5.174 10.011 -8.366 1.00 15.00 H new ATOM 0 HG22 ILE A 193 3.830 9.475 -9.403 1.00 15.00 H new ATOM 0 HG23 ILE A 193 3.674 10.966 -8.444 1.00 15.00 H new ATOM 0 HD11 ILE A 193 5.623 10.250 -4.756 1.00 15.00 H new ATOM 0 HD12 ILE A 193 5.792 8.770 -5.729 1.00 15.00 H new ATOM 0 HD13 ILE A 193 5.904 10.365 -6.510 1.00 15.00 H new ATOM 378 N ASP A 194 1.524 7.008 -8.624 1.00 15.00 N ATOM 379 CA ASP A 194 1.322 6.182 -9.813 1.00 15.00 C ATOM 380 C ASP A 194 -0.130 5.747 -9.972 1.00 15.00 C ATOM 381 O ASP A 194 -0.507 5.249 -11.033 1.00 15.00 O ATOM 382 CB ASP A 194 2.216 4.942 -9.777 1.00 15.00 C ATOM 383 CG ASP A 194 3.692 5.277 -9.767 1.00 15.00 C ATOM 384 OD1 ASP A 194 4.210 5.726 -10.811 1.00 15.00 O ATOM 385 OD2 ASP A 194 4.342 5.078 -8.720 1.00 15.00 O1- ATOM 0 H ASP A 194 1.594 6.482 -7.753 1.00 15.00 H new ATOM 0 HA ASP A 194 1.590 6.802 -10.668 1.00 15.00 H new ATOM 0 HB2 ASP A 194 1.977 4.354 -8.891 1.00 15.00 H new ATOM 0 HB3 ASP A 194 1.997 4.317 -10.643 1.00 15.00 H new ATOM 390 N GLN A 195 -0.922 5.895 -8.907 1.00 15.00 N ATOM 391 CA GLN A 195 -2.331 5.487 -8.914 1.00 15.00 C ATOM 392 C GLN A 195 -2.429 3.964 -8.988 1.00 15.00 C ATOM 393 O GLN A 195 -3.331 3.402 -9.610 1.00 15.00 O ATOM 394 CB GLN A 195 -3.075 6.159 -10.087 1.00 15.00 C ATOM 395 CG GLN A 195 -4.574 5.894 -10.117 1.00 15.00 C ATOM 396 CD GLN A 195 -5.271 6.600 -11.260 1.00 15.00 C ATOM 397 OE1 GLN A 195 -4.857 7.677 -11.686 1.00 15.00 O ATOM 398 NE2 GLN A 195 -6.331 5.998 -11.773 1.00 15.00 N ATOM 0 H GLN A 195 -0.610 6.297 -8.023 1.00 15.00 H new ATOM 0 HA GLN A 195 -2.807 5.813 -7.989 1.00 15.00 H new ATOM 0 HB2 GLN A 195 -2.910 7.235 -10.037 1.00 15.00 H new ATOM 0 HB3 GLN A 195 -2.639 5.813 -11.024 1.00 15.00 H new ATOM 0 HG2 GLN A 195 -4.747 4.821 -10.199 1.00 15.00 H new ATOM 0 HG3 GLN A 195 -5.015 6.217 -9.174 1.00 15.00 H new ATOM 0 HE21 GLN A 195 -6.644 5.105 -11.393 1.00 15.00 H new ATOM 0 HE22 GLN A 195 -6.835 6.427 -12.549 1.00 15.00 H new ATOM 407 N THR A 196 -1.523 3.291 -8.302 1.00 15.00 N ATOM 408 CA THR A 196 -1.502 1.837 -8.349 1.00 15.00 C ATOM 409 C THR A 196 -1.635 1.214 -6.967 1.00 15.00 C ATOM 410 O THR A 196 -1.163 1.767 -5.970 1.00 15.00 O ATOM 411 CB THR A 196 -0.223 1.308 -9.029 1.00 15.00 C ATOM 412 OG1 THR A 196 0.930 1.928 -8.453 1.00 15.00 O ATOM 413 CG2 THR A 196 -0.247 1.576 -10.524 1.00 15.00 C ATOM 0 H THR A 196 -0.804 3.716 -7.716 1.00 15.00 H new ATOM 0 HA THR A 196 -2.367 1.543 -8.943 1.00 15.00 H new ATOM 0 HB THR A 196 -0.179 0.231 -8.870 1.00 15.00 H new ATOM 0 HG1 THR A 196 1.738 1.585 -8.889 1.00 15.00 H new ATOM 0 HG21 THR A 196 0.667 1.192 -10.977 1.00 15.00 H new ATOM 0 HG22 THR A 196 -1.109 1.079 -10.969 1.00 15.00 H new ATOM 0 HG23 THR A 196 -0.316 2.649 -10.700 1.00 15.00 H new ATOM 421 N THR A 197 -2.287 0.062 -6.924 1.00 15.00 N ATOM 422 CA THR A 197 -2.453 -0.688 -5.696 1.00 15.00 C ATOM 423 C THR A 197 -1.429 -1.822 -5.641 1.00 15.00 C ATOM 424 O THR A 197 -1.552 -2.822 -6.349 1.00 15.00 O ATOM 425 CB THR A 197 -3.878 -1.265 -5.598 1.00 15.00 C ATOM 426 OG1 THR A 197 -4.843 -0.233 -5.866 1.00 15.00 O ATOM 427 CG2 THR A 197 -4.132 -1.851 -4.217 1.00 15.00 C ATOM 0 H THR A 197 -2.714 -0.376 -7.740 1.00 15.00 H new ATOM 0 HA THR A 197 -2.295 -0.014 -4.854 1.00 15.00 H new ATOM 0 HB THR A 197 -3.976 -2.060 -6.337 1.00 15.00 H new ATOM 0 HG1 THR A 197 -5.747 -0.606 -5.804 1.00 15.00 H new ATOM 0 HG21 THR A 197 -5.145 -2.252 -4.173 1.00 15.00 H new ATOM 0 HG22 THR A 197 -3.416 -2.650 -4.024 1.00 15.00 H new ATOM 0 HG23 THR A 197 -4.017 -1.071 -3.464 1.00 15.00 H new ATOM 435 N THR A 198 -0.413 -1.645 -4.816 1.00 15.00 N ATOM 436 CA THR A 198 0.697 -2.578 -4.752 1.00 15.00 C ATOM 437 C THR A 198 0.502 -3.596 -3.611 1.00 15.00 C ATOM 438 O THR A 198 0.334 -3.210 -2.454 1.00 15.00 O ATOM 439 CB THR A 198 2.010 -1.788 -4.553 1.00 15.00 C ATOM 440 OG1 THR A 198 2.112 -0.786 -5.576 1.00 15.00 O ATOM 441 CG2 THR A 198 3.232 -2.685 -4.615 1.00 15.00 C ATOM 0 H THR A 198 -0.334 -0.855 -4.175 1.00 15.00 H new ATOM 0 HA THR A 198 0.744 -3.137 -5.686 1.00 15.00 H new ATOM 0 HB THR A 198 1.980 -1.334 -3.563 1.00 15.00 H new ATOM 0 HG1 THR A 198 2.350 0.073 -5.170 1.00 15.00 H new ATOM 0 HG21 THR A 198 4.131 -2.086 -4.470 1.00 15.00 H new ATOM 0 HG22 THR A 198 3.169 -3.440 -3.832 1.00 15.00 H new ATOM 0 HG23 THR A 198 3.275 -3.174 -5.588 1.00 15.00 H new ATOM 449 N TRP A 199 0.501 -4.895 -3.944 1.00 15.00 N ATOM 450 CA TRP A 199 0.340 -5.957 -2.945 1.00 15.00 C ATOM 451 C TRP A 199 1.675 -6.329 -2.298 1.00 15.00 C ATOM 452 O TRP A 199 1.713 -7.050 -1.303 1.00 15.00 O ATOM 453 CB TRP A 199 -0.219 -7.228 -3.591 1.00 15.00 C ATOM 454 CG TRP A 199 -1.692 -7.474 -3.443 1.00 15.00 C ATOM 455 CD1 TRP A 199 -2.511 -7.981 -4.408 1.00 15.00 C ATOM 456 CD2 TRP A 199 -2.531 -7.244 -2.298 1.00 15.00 C ATOM 457 NE1 TRP A 199 -3.775 -8.151 -3.927 1.00 15.00 N ATOM 458 CE2 TRP A 199 -3.816 -7.702 -2.644 1.00 15.00 C ATOM 459 CE3 TRP A 199 -2.337 -6.719 -1.014 1.00 15.00 C ATOM 460 CZ2 TRP A 199 -4.879 -7.665 -1.770 1.00 15.00 C ATOM 461 CZ3 TRP A 199 -3.424 -6.660 -0.156 1.00 15.00 C ATOM 462 CH2 TRP A 199 -4.678 -7.149 -0.552 1.00 15.00 C ATOM 0 H TRP A 199 0.610 -5.234 -4.900 1.00 15.00 H new ATOM 0 HA TRP A 199 -0.345 -5.570 -2.191 1.00 15.00 H new ATOM 0 HB2 TRP A 199 0.015 -7.198 -4.655 1.00 15.00 H new ATOM 0 HB3 TRP A 199 0.311 -8.083 -3.172 1.00 15.00 H new ATOM 0 HD1 TRP A 199 -2.201 -8.216 -5.415 1.00 15.00 H new ATOM 0 HE1 TRP A 199 -4.560 -8.549 -4.443 1.00 15.00 H new ATOM 0 HE3 TRP A 199 -1.365 -6.369 -0.700 1.00 15.00 H new ATOM 0 HZ2 TRP A 199 -5.849 -8.042 -2.060 1.00 15.00 H new ATOM 0 HZ3 TRP A 199 -3.304 -6.233 0.829 1.00 15.00 H new ATOM 0 HH2 TRP A 199 -5.502 -7.108 0.144 1.00 15.00 H new ATOM 473 N GLN A 200 2.770 -5.878 -2.891 1.00 15.00 N ATOM 474 CA GLN A 200 4.093 -6.332 -2.478 1.00 15.00 C ATOM 475 C GLN A 200 4.930 -5.185 -1.932 1.00 15.00 C ATOM 476 O GLN A 200 4.784 -4.041 -2.353 1.00 15.00 O ATOM 477 CB GLN A 200 4.802 -7.009 -3.650 1.00 15.00 C ATOM 478 CG GLN A 200 4.108 -8.283 -4.101 1.00 15.00 C ATOM 479 CD GLN A 200 4.801 -8.958 -5.262 1.00 15.00 C ATOM 480 OE1 GLN A 200 5.685 -9.796 -5.075 1.00 15.00 O ATOM 481 NE2 GLN A 200 4.399 -8.603 -6.472 1.00 15.00 N ATOM 0 H GLN A 200 2.771 -5.202 -3.655 1.00 15.00 H new ATOM 0 HA GLN A 200 3.968 -7.056 -1.673 1.00 15.00 H new ATOM 0 HB2 GLN A 200 4.855 -6.313 -4.488 1.00 15.00 H new ATOM 0 HB3 GLN A 200 5.828 -7.241 -3.363 1.00 15.00 H new ATOM 0 HG2 GLN A 200 4.057 -8.978 -3.263 1.00 15.00 H new ATOM 0 HG3 GLN A 200 3.082 -8.049 -4.384 1.00 15.00 H new ATOM 0 HE21 GLN A 200 3.663 -7.905 -6.581 1.00 15.00 H new ATOM 0 HE22 GLN A 200 4.825 -9.028 -7.296 1.00 15.00 H new ATOM 490 N ASP A 201 5.824 -5.514 -1.009 1.00 15.00 N ATOM 491 CA ASP A 201 6.610 -4.509 -0.305 1.00 15.00 C ATOM 492 C ASP A 201 7.657 -3.876 -1.219 1.00 15.00 C ATOM 493 O ASP A 201 8.546 -4.560 -1.727 1.00 15.00 O ATOM 494 CB ASP A 201 7.299 -5.132 0.905 1.00 15.00 C ATOM 495 CG ASP A 201 7.765 -4.087 1.894 1.00 15.00 C ATOM 496 OD1 ASP A 201 8.727 -3.356 1.592 1.00 15.00 O ATOM 497 OD2 ASP A 201 7.164 -3.999 2.984 1.00 15.00 O1- ATOM 0 H ASP A 201 6.024 -6.474 -0.729 1.00 15.00 H new ATOM 0 HA ASP A 201 5.926 -3.727 0.025 1.00 15.00 H new ATOM 0 HB2 ASP A 201 6.612 -5.818 1.400 1.00 15.00 H new ATOM 0 HB3 ASP A 201 8.153 -5.722 0.572 1.00 15.00 H new ATOM 502 N PRO A 202 7.566 -2.552 -1.420 1.00 15.00 N ATOM 503 CA PRO A 202 8.480 -1.800 -2.289 1.00 15.00 C ATOM 504 C PRO A 202 9.931 -1.798 -1.804 1.00 15.00 C ATOM 505 O PRO A 202 10.835 -1.429 -2.553 1.00 15.00 O ATOM 506 CB PRO A 202 7.917 -0.376 -2.271 1.00 15.00 C ATOM 507 CG PRO A 202 7.078 -0.301 -1.044 1.00 15.00 C ATOM 508 CD PRO A 202 6.536 -1.683 -0.828 1.00 15.00 C ATOM 0 HA PRO A 202 8.525 -2.251 -3.280 1.00 15.00 H new ATOM 0 HB2 PRO A 202 8.718 0.363 -2.246 1.00 15.00 H new ATOM 0 HB3 PRO A 202 7.326 -0.175 -3.165 1.00 15.00 H new ATOM 0 HG2 PRO A 202 7.668 0.025 -0.187 1.00 15.00 H new ATOM 0 HG3 PRO A 202 6.270 0.420 -1.167 1.00 15.00 H new ATOM 0 HD2 PRO A 202 6.391 -1.896 0.231 1.00 15.00 H new ATOM 0 HD3 PRO A 202 5.570 -1.816 -1.315 1.00 15.00 H new ATOM 609 N PRO B 207 -9.197 -8.984 -3.167 1.00 15.00 N ATOM 610 CA PRO B 207 -9.106 -7.593 -3.646 1.00 15.00 C ATOM 611 C PRO B 207 -8.821 -6.603 -2.518 1.00 15.00 C ATOM 612 O PRO B 207 -9.443 -6.657 -1.450 1.00 15.00 O ATOM 613 CB PRO B 207 -10.493 -7.339 -4.236 1.00 15.00 C ATOM 614 CG PRO B 207 -10.972 -8.682 -4.666 1.00 15.00 C ATOM 615 CD PRO B 207 -10.394 -9.670 -3.689 1.00 15.00 C ATOM 0 HA PRO B 207 -8.288 -7.458 -4.354 1.00 15.00 H new ATOM 0 HB2 PRO B 207 -11.163 -6.897 -3.498 1.00 15.00 H new ATOM 0 HB3 PRO B 207 -10.445 -6.647 -5.077 1.00 15.00 H new ATOM 0 HG2 PRO B 207 -12.061 -8.725 -4.664 1.00 15.00 H new ATOM 0 HG3 PRO B 207 -10.646 -8.904 -5.682 1.00 15.00 H new ATOM 0 HD2 PRO B 207 -11.100 -9.906 -2.893 1.00 15.00 H new ATOM 0 HD3 PRO B 207 -10.136 -10.611 -4.176 1.00 15.00 H new ATOM 623 N PRO B 208 -7.891 -5.664 -2.757 1.00 15.00 N ATOM 624 CA PRO B 208 -7.307 -4.797 -1.754 1.00 15.00 C ATOM 625 C PRO B 208 -8.049 -3.453 -1.702 1.00 15.00 C ATOM 626 O PRO B 208 -9.009 -3.243 -2.447 1.00 15.00 O ATOM 627 CB PRO B 208 -5.858 -4.623 -2.309 1.00 15.00 C ATOM 628 CG PRO B 208 -5.895 -5.215 -3.691 1.00 15.00 C ATOM 629 CD PRO B 208 -7.341 -5.259 -4.031 1.00 15.00 C ATOM 0 HA PRO B 208 -7.349 -5.186 -0.737 1.00 15.00 H new ATOM 0 HB2 PRO B 208 -5.570 -3.572 -2.338 1.00 15.00 H new ATOM 0 HB3 PRO B 208 -5.130 -5.136 -1.680 1.00 15.00 H new ATOM 0 HG2 PRO B 208 -5.338 -4.604 -4.401 1.00 15.00 H new ATOM 0 HG3 PRO B 208 -5.451 -6.210 -3.710 1.00 15.00 H new ATOM 0 HD2 PRO B 208 -7.721 -4.291 -4.359 1.00 15.00 H new ATOM 0 HD3 PRO B 208 -7.560 -5.973 -4.825 1.00 15.00 H new ATOM 637 N PRO B 209 -7.623 -2.540 -0.818 1.00 15.00 N ATOM 638 CA PRO B 209 -8.182 -1.186 -0.732 1.00 15.00 C ATOM 639 C PRO B 209 -8.279 -0.472 -2.077 1.00 15.00 C ATOM 640 O PRO B 209 -7.394 -0.597 -2.925 1.00 15.00 O ATOM 641 CB PRO B 209 -7.167 -0.426 0.110 1.00 15.00 C ATOM 642 CG PRO B 209 -6.291 -1.431 0.769 1.00 15.00 C ATOM 643 CD PRO B 209 -6.619 -2.789 0.218 1.00 15.00 C ATOM 0 HA PRO B 209 -9.196 -1.232 -0.334 1.00 15.00 H new ATOM 0 HB2 PRO B 209 -6.578 0.246 -0.514 1.00 15.00 H new ATOM 0 HB3 PRO B 209 -7.671 0.190 0.855 1.00 15.00 H new ATOM 0 HG2 PRO B 209 -5.242 -1.194 0.590 1.00 15.00 H new ATOM 0 HG3 PRO B 209 -6.442 -1.414 1.848 1.00 15.00 H new ATOM 0 HD2 PRO B 209 -5.734 -3.272 -0.197 1.00 15.00 H new ATOM 0 HD3 PRO B 209 -7.007 -3.448 0.995 1.00 15.00 H new ATOM 651 N PRO B 210 -9.352 0.308 -2.267 1.00 15.00 N ATOM 652 CA PRO B 210 -9.481 1.208 -3.411 1.00 15.00 C ATOM 653 C PRO B 210 -8.442 2.324 -3.347 1.00 15.00 C ATOM 654 O PRO B 210 -8.152 2.851 -2.272 1.00 15.00 O ATOM 655 CB PRO B 210 -10.894 1.790 -3.270 1.00 15.00 C ATOM 656 CG PRO B 210 -11.592 0.908 -2.290 1.00 15.00 C ATOM 657 CD PRO B 210 -10.524 0.370 -1.385 1.00 15.00 C ATOM 0 HA PRO B 210 -9.324 0.696 -4.360 1.00 15.00 H new ATOM 0 HB2 PRO B 210 -10.861 2.820 -2.916 1.00 15.00 H new ATOM 0 HB3 PRO B 210 -11.412 1.799 -4.229 1.00 15.00 H new ATOM 0 HG2 PRO B 210 -12.338 1.467 -1.724 1.00 15.00 H new ATOM 0 HG3 PRO B 210 -12.117 0.099 -2.798 1.00 15.00 H new ATOM 0 HD2 PRO B 210 -10.352 1.023 -0.529 1.00 15.00 H new ATOM 0 HD3 PRO B 210 -10.785 -0.612 -0.990 1.00 15.00 H new ATOM 665 N TYR B 211 -7.911 2.692 -4.499 1.00 15.00 N ATOM 666 CA TYR B 211 -6.867 3.707 -4.588 1.00 15.00 C ATOM 667 C TYR B 211 -7.394 5.116 -4.284 1.00 15.00 C ATOM 668 O TYR B 211 -6.604 6.039 -4.080 1.00 15.00 O ATOM 669 CB TYR B 211 -6.177 3.683 -5.971 1.00 15.00 C ATOM 670 CG TYR B 211 -5.284 4.884 -6.202 1.00 15.00 C ATOM 671 CD1 TYR B 211 -3.993 4.911 -5.702 1.00 15.00 C ATOM 672 CD2 TYR B 211 -5.753 6.010 -6.874 1.00 15.00 C ATOM 673 CE1 TYR B 211 -3.190 6.020 -5.862 1.00 15.00 C ATOM 674 CE2 TYR B 211 -4.952 7.121 -7.044 1.00 15.00 C ATOM 675 CZ TYR B 211 -3.673 7.123 -6.534 1.00 15.00 C ATOM 676 OH TYR B 211 -2.869 8.227 -6.697 1.00 15.00 O ATOM 0 H TYR B 211 -8.188 2.299 -5.399 1.00 15.00 H new ATOM 0 HA TYR B 211 -6.130 3.458 -3.824 1.00 15.00 H new ATOM 0 HB2 TYR B 211 -5.584 2.773 -6.060 1.00 15.00 H new ATOM 0 HB3 TYR B 211 -6.938 3.646 -6.751 1.00 15.00 H new ATOM 0 HD1 TYR B 211 -3.609 4.049 -5.178 1.00 15.00 H new ATOM 0 HD2 TYR B 211 -6.759 6.014 -7.268 1.00 15.00 H new ATOM 0 HE1 TYR B 211 -2.187 6.025 -5.463 1.00 15.00 H new ATOM 0 HE2 TYR B 211 -5.326 7.984 -7.574 1.00 15.00 H new ATOM 0 HH TYR B 211 -3.357 8.917 -7.193 1.00 15.00 H new ATOM 686 N SER B 212 -8.710 5.277 -4.175 1.00 15.00 N ATOM 687 CA SER B 212 -9.331 6.581 -4.391 1.00 15.00 C ATOM 688 C SER B 212 -8.784 7.642 -3.433 1.00 15.00 C ATOM 689 O SER B 212 -8.075 8.547 -3.883 1.00 15.00 O ATOM 690 CB SER B 212 -10.846 6.458 -4.235 1.00 15.00 C ATOM 691 OG SER B 212 -11.363 5.447 -5.086 1.00 15.00 O ATOM 0 H SER B 212 -9.362 4.529 -3.941 1.00 15.00 H new ATOM 0 HA SER B 212 -9.090 6.905 -5.403 1.00 15.00 H new ATOM 0 HB2 SER B 212 -11.091 6.227 -3.198 1.00 15.00 H new ATOM 0 HB3 SER B 212 -11.318 7.412 -4.469 1.00 15.00 H new ATOM 0 HG SER B 212 -12.334 5.385 -4.968 1.00 15.00 H new ATOM 697 N ARG B 213 -9.087 7.585 -2.142 1.00 15.00 N ATOM 698 CA ARG B 213 -8.373 8.465 -1.228 1.00 15.00 C ATOM 699 C ARG B 213 -7.619 7.689 -0.155 1.00 15.00 C ATOM 700 O ARG B 213 -6.390 7.608 -0.177 1.00 15.00 O ATOM 701 CB ARG B 213 -9.345 9.452 -0.568 1.00 15.00 C ATOM 702 CG ARG B 213 -9.943 10.455 -1.541 1.00 15.00 C ATOM 703 CD ARG B 213 -8.856 11.253 -2.238 1.00 15.00 C ATOM 704 NE ARG B 213 -9.403 12.196 -3.207 1.00 15.00 N ATOM 705 CZ ARG B 213 -8.952 12.322 -4.455 1.00 15.00 C ATOM 706 NH1 ARG B 213 -7.976 11.539 -4.897 1.00 15.00 N1+ ATOM 707 NH2 ARG B 213 -9.493 13.212 -5.273 1.00 15.00 N ATOM 0 H ARG B 213 -9.785 6.972 -1.720 1.00 15.00 H new ATOM 0 HA ARG B 213 -7.639 9.014 -1.819 1.00 15.00 H new ATOM 0 HB2 ARG B 213 -10.151 8.893 -0.093 1.00 15.00 H new ATOM 0 HB3 ARG B 213 -8.822 9.991 0.222 1.00 15.00 H new ATOM 0 HG2 ARG B 213 -10.547 9.932 -2.282 1.00 15.00 H new ATOM 0 HG3 ARG B 213 -10.610 11.132 -1.007 1.00 15.00 H new ATOM 0 HD2 ARG B 213 -8.272 11.796 -1.495 1.00 15.00 H new ATOM 0 HD3 ARG B 213 -8.173 10.570 -2.743 1.00 15.00 H new ATOM 0 HE ARG B 213 -10.175 12.794 -2.913 1.00 15.00 H new ATOM 0 HH11 ARG B 213 -7.567 10.836 -4.281 1.00 15.00 H new ATOM 0 HH12 ARG B 213 -7.635 11.640 -5.853 1.00 15.00 H new ATOM 0 HH21 ARG B 213 -10.258 13.804 -4.949 1.00 15.00 H new ATOM 0 HH22 ARG B 213 -9.145 13.305 -6.227 1.00 15.00 H new ATOM 721 N TYR B 214 -8.366 7.105 0.770 1.00 15.00 N ATOM 722 CA TYR B 214 -7.781 6.336 1.856 1.00 15.00 C ATOM 723 C TYR B 214 -8.286 4.899 1.855 1.00 15.00 C ATOM 724 O TYR B 214 -9.490 4.663 1.729 1.00 15.00 O ATOM 725 CB TYR B 214 -8.022 7.044 3.195 1.00 15.00 C ATOM 726 CG TYR B 214 -7.064 8.205 3.408 1.00 15.00 C ATOM 727 CD1 TYR B 214 -6.997 9.248 2.490 1.00 15.00 C ATOM 728 CD2 TYR B 214 -6.208 8.245 4.501 1.00 15.00 C ATOM 729 CE1 TYR B 214 -6.111 10.290 2.649 1.00 15.00 C ATOM 730 CE2 TYR B 214 -5.320 9.293 4.673 1.00 15.00 C ATOM 731 CZ TYR B 214 -5.276 10.310 3.742 1.00 15.00 C ATOM 732 OH TYR B 214 -4.388 11.350 3.897 1.00 15.00 O ATOM 0 H TYR B 214 -9.385 7.150 0.789 1.00 15.00 H new ATOM 0 HA TYR B 214 -6.703 6.279 1.704 1.00 15.00 H new ATOM 0 HB2 TYR B 214 -9.048 7.410 3.232 1.00 15.00 H new ATOM 0 HB3 TYR B 214 -7.910 6.328 4.009 1.00 15.00 H new ATOM 0 HD1 TYR B 214 -7.655 9.240 1.633 1.00 15.00 H new ATOM 0 HD2 TYR B 214 -6.236 7.447 5.228 1.00 15.00 H new ATOM 0 HE1 TYR B 214 -6.072 11.086 1.920 1.00 15.00 H new ATOM 0 HE2 TYR B 214 -4.665 9.314 5.532 1.00 15.00 H new ATOM 0 HH TYR B 214 -3.870 11.219 4.719 1.00 15.00 H new ATOM 742 N PRO B 215 -7.378 3.924 2.006 1.00 15.00 N ATOM 743 CA PRO B 215 -7.735 2.501 2.039 1.00 15.00 C ATOM 744 C PRO B 215 -8.655 2.134 3.198 1.00 15.00 C ATOM 745 O PRO B 215 -9.828 1.817 2.999 1.00 15.00 O ATOM 746 CB PRO B 215 -6.387 1.794 2.207 1.00 15.00 C ATOM 747 CG PRO B 215 -5.376 2.779 1.754 1.00 15.00 C ATOM 748 CD PRO B 215 -5.925 4.124 2.125 1.00 15.00 C ATOM 0 HA PRO B 215 -8.286 2.218 1.142 1.00 15.00 H new ATOM 0 HB2 PRO B 215 -6.219 1.506 3.245 1.00 15.00 H new ATOM 0 HB3 PRO B 215 -6.343 0.882 1.612 1.00 15.00 H new ATOM 0 HG2 PRO B 215 -4.414 2.602 2.235 1.00 15.00 H new ATOM 0 HG3 PRO B 215 -5.212 2.706 0.679 1.00 15.00 H new ATOM 0 HD2 PRO B 215 -5.638 4.414 3.136 1.00 15.00 H new ATOM 0 HD3 PRO B 215 -5.568 4.906 1.455 1.00 15.00 H new