USER MOD reduce.3.24.130724 H: found=0, std=0, add=342, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 345 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 251 HIS : no HE2:sc= -4.57! C(o=-5.5!,f=-3!) USER MOD Set 1.2: B 227 TYR OH : rot 180:sc= -0.895 USER MOD Set 2.1: A 250 ASN : amide:sc= -0.895 K(o=-0.99,f=-12!) USER MOD Set 2.2: A 253 ASN : amide:sc= -0.0963 K(o=-0.99,f=-3.8!) USER MOD Set 3.1: A 238 GLN : amide:sc= 0.0958 K(o=1.3,f=-3.6!) USER MOD Set 3.2: A 248 TYR OH : rot -23:sc= 1.16 USER MOD Single : A 240 MET CE :methyl 158:sc= -0.242 (180deg=-0.906) USER MOD Single : A 241 THR OG1 : rot 180:sc= 0 USER MOD Single : A 242 GLN : amide:sc= -0.925 K(o=-0.93,f=0) USER MOD Single : A 247 TYR OH : rot 130:sc= -1.64! USER MOD Single : A 252 LYS NZ :NH3+ -165:sc= 1.26 (180deg=1.12) USER MOD Single : A 254 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 255 THR OG1 : rot 180:sc= -0.554 USER MOD Single : A 256 THR OG1 : rot -110:sc= -0.153 USER MOD Single : A 257 SER OG : rot 180:sc= 0 USER MOD Single : B 222 THR OG1 : rot 25:sc= 0.634 USER MOD ----------------------------------------------------------------- ATOM 8 N PRO A 231 7.885 5.491 6.861 1.00 15.00 N ATOM 9 CA PRO A 231 7.866 6.857 6.381 1.00 15.00 C ATOM 10 C PRO A 231 7.606 6.885 4.883 1.00 15.00 C ATOM 11 O PRO A 231 8.497 6.575 4.091 1.00 15.00 O ATOM 12 CB PRO A 231 9.299 7.319 6.689 1.00 15.00 C ATOM 13 CG PRO A 231 10.117 6.050 6.809 1.00 15.00 C ATOM 14 CD PRO A 231 9.177 4.894 6.536 1.00 15.00 C ATOM 0 HA PRO A 231 7.094 7.479 6.833 1.00 15.00 H new ATOM 0 HB2 PRO A 231 9.684 7.960 5.896 1.00 15.00 H new ATOM 0 HB3 PRO A 231 9.335 7.898 7.612 1.00 15.00 H new ATOM 0 HG2 PRO A 231 10.942 6.053 6.097 1.00 15.00 H new ATOM 0 HG3 PRO A 231 10.555 5.965 7.804 1.00 15.00 H new ATOM 0 HD2 PRO A 231 9.226 4.560 5.499 1.00 15.00 H new ATOM 0 HD3 PRO A 231 9.398 4.028 7.160 1.00 15.00 H new ATOM 22 N LEU A 232 6.387 7.197 4.477 1.00 15.00 N ATOM 23 CA LEU A 232 6.024 6.952 3.092 1.00 15.00 C ATOM 24 C LEU A 232 6.420 8.109 2.208 1.00 15.00 C ATOM 25 O LEU A 232 6.601 9.230 2.683 1.00 15.00 O ATOM 26 CB LEU A 232 4.536 6.629 2.877 1.00 15.00 C ATOM 27 CG LEU A 232 3.960 5.460 3.691 1.00 15.00 C ATOM 28 CD1 LEU A 232 5.025 4.695 4.465 1.00 15.00 C ATOM 29 CD2 LEU A 232 2.882 5.935 4.635 1.00 15.00 C ATOM 0 H LEU A 232 5.657 7.605 5.061 1.00 15.00 H new ATOM 0 HA LEU A 232 6.584 6.060 2.812 1.00 15.00 H new ATOM 0 HB2 LEU A 232 3.957 7.523 3.108 1.00 15.00 H new ATOM 0 HB3 LEU A 232 4.383 6.415 1.819 1.00 15.00 H new ATOM 0 HG LEU A 232 3.527 4.771 2.965 1.00 15.00 H new ATOM 0 HD11 LEU A 232 4.558 3.882 5.020 1.00 15.00 H new ATOM 0 HD12 LEU A 232 5.757 4.285 3.769 1.00 15.00 H new ATOM 0 HD13 LEU A 232 5.524 5.369 5.161 1.00 15.00 H new ATOM 0 HD21 LEU A 232 2.492 5.087 5.198 1.00 15.00 H new ATOM 0 HD22 LEU A 232 3.300 6.668 5.325 1.00 15.00 H new ATOM 0 HD23 LEU A 232 2.075 6.393 4.064 1.00 15.00 H new ATOM 41 N PRO A 233 6.522 7.855 0.895 1.00 15.00 N ATOM 42 CA PRO A 233 6.992 8.857 -0.060 1.00 15.00 C ATOM 43 C PRO A 233 6.104 10.100 -0.065 1.00 15.00 C ATOM 44 O PRO A 233 6.560 11.215 0.183 1.00 15.00 O ATOM 45 CB PRO A 233 6.877 8.130 -1.394 1.00 15.00 C ATOM 46 CG PRO A 233 6.893 6.668 -1.063 1.00 15.00 C ATOM 47 CD PRO A 233 6.144 6.587 0.223 1.00 15.00 C ATOM 0 HA PRO A 233 7.995 9.215 0.171 1.00 15.00 H new ATOM 0 HB2 PRO A 233 5.957 8.404 -1.911 1.00 15.00 H new ATOM 0 HB3 PRO A 233 7.704 8.391 -2.054 1.00 15.00 H new ATOM 0 HG2 PRO A 233 6.414 6.076 -1.843 1.00 15.00 H new ATOM 0 HG3 PRO A 233 7.911 6.293 -0.958 1.00 15.00 H new ATOM 0 HD2 PRO A 233 5.068 6.518 0.062 1.00 15.00 H new ATOM 0 HD3 PRO A 233 6.436 5.715 0.808 1.00 15.00 H new ATOM 55 N ASP A 234 4.825 9.882 -0.334 1.00 15.00 N ATOM 56 CA ASP A 234 3.836 10.951 -0.335 1.00 15.00 C ATOM 57 C ASP A 234 3.052 10.923 0.970 1.00 15.00 C ATOM 58 O ASP A 234 2.265 11.822 1.258 1.00 15.00 O ATOM 59 CB ASP A 234 2.876 10.818 -1.522 1.00 15.00 C ATOM 60 CG ASP A 234 3.572 10.936 -2.866 1.00 15.00 C ATOM 61 OD1 ASP A 234 3.802 12.074 -3.326 1.00 15.00 O ATOM 62 OD2 ASP A 234 3.883 9.887 -3.470 1.00 15.00 O1- ATOM 0 H ASP A 234 4.444 8.962 -0.557 1.00 15.00 H new ATOM 0 HA ASP A 234 4.360 11.902 -0.429 1.00 15.00 H new ATOM 0 HB2 ASP A 234 2.369 9.855 -1.465 1.00 15.00 H new ATOM 0 HB3 ASP A 234 2.108 11.588 -1.448 1.00 15.00 H new ATOM 67 N GLY A 235 3.261 9.861 1.741 1.00 15.00 N ATOM 68 CA GLY A 235 2.471 9.632 2.935 1.00 15.00 C ATOM 69 C GLY A 235 1.242 8.805 2.627 1.00 15.00 C ATOM 70 O GLY A 235 0.112 9.241 2.841 1.00 15.00 O ATOM 0 H GLY A 235 3.969 9.150 1.557 1.00 15.00 H new ATOM 0 HA2 GLY A 235 3.078 9.122 3.683 1.00 15.00 H new ATOM 0 HA3 GLY A 235 2.171 10.588 3.365 1.00 15.00 H new ATOM 74 N TRP A 236 1.468 7.601 2.122 1.00 15.00 N ATOM 75 CA TRP A 236 0.385 6.731 1.700 1.00 15.00 C ATOM 76 C TRP A 236 0.511 5.343 2.302 1.00 15.00 C ATOM 77 O TRP A 236 1.603 4.816 2.408 1.00 15.00 O ATOM 78 CB TRP A 236 0.312 6.681 0.194 1.00 15.00 C ATOM 79 CG TRP A 236 1.595 6.430 -0.563 1.00 15.00 C ATOM 80 CD1 TRP A 236 2.691 7.255 -0.736 1.00 15.00 C ATOM 81 CD2 TRP A 236 1.873 5.267 -1.341 1.00 15.00 C ATOM 82 NE1 TRP A 236 3.516 6.711 -1.660 1.00 15.00 N ATOM 83 CE2 TRP A 236 3.072 5.485 -2.011 1.00 15.00 C ATOM 84 CE3 TRP A 236 1.223 4.070 -1.561 1.00 15.00 C ATOM 85 CZ2 TRP A 236 3.618 4.556 -2.883 1.00 15.00 C ATOM 86 CZ3 TRP A 236 1.797 3.165 -2.433 1.00 15.00 C ATOM 87 CH2 TRP A 236 2.969 3.407 -3.073 1.00 15.00 C ATOM 0 H TRP A 236 2.399 7.204 1.995 1.00 15.00 H new ATOM 0 HA TRP A 236 -0.550 7.148 2.073 1.00 15.00 H new ATOM 0 HB2 TRP A 236 -0.398 5.901 -0.082 1.00 15.00 H new ATOM 0 HB3 TRP A 236 -0.103 7.627 -0.153 1.00 15.00 H new ATOM 0 HD1 TRP A 236 2.861 8.186 -0.216 1.00 15.00 H new ATOM 0 HE1 TRP A 236 4.351 7.161 -2.036 1.00 15.00 H new ATOM 0 HE3 TRP A 236 0.290 3.846 -1.065 1.00 15.00 H new ATOM 0 HZ2 TRP A 236 4.547 4.758 -3.396 1.00 15.00 H new ATOM 0 HZ3 TRP A 236 1.293 2.227 -2.613 1.00 15.00 H new ATOM 0 HH2 TRP A 236 3.379 2.664 -3.741 1.00 15.00 H new ATOM 98 N GLU A 237 -0.609 4.679 2.522 1.00 15.00 N ATOM 99 CA GLU A 237 -0.736 3.805 3.680 1.00 15.00 C ATOM 100 C GLU A 237 -0.281 2.388 3.423 1.00 15.00 C ATOM 101 O GLU A 237 -0.543 1.776 2.387 1.00 15.00 O ATOM 102 CB GLU A 237 -2.193 3.816 4.152 1.00 15.00 C ATOM 103 CG GLU A 237 -2.530 2.917 5.339 1.00 15.00 C ATOM 104 CD GLU A 237 -1.754 3.302 6.587 1.00 15.00 C ATOM 105 OE1 GLU A 237 -0.585 2.898 6.723 1.00 15.00 O ATOM 106 OE2 GLU A 237 -2.305 4.041 7.430 1.00 15.00 O1- ATOM 0 H GLU A 237 -1.435 4.725 1.925 1.00 15.00 H new ATOM 0 HA GLU A 237 -0.074 4.194 4.453 1.00 15.00 H new ATOM 0 HB2 GLU A 237 -2.460 4.840 4.413 1.00 15.00 H new ATOM 0 HB3 GLU A 237 -2.826 3.526 3.313 1.00 15.00 H new ATOM 0 HG2 GLU A 237 -3.599 2.975 5.545 1.00 15.00 H new ATOM 0 HG3 GLU A 237 -2.311 1.881 5.082 1.00 15.00 H new ATOM 113 N GLN A 238 0.375 1.907 4.460 1.00 15.00 N ATOM 114 CA GLN A 238 1.006 0.595 4.511 1.00 15.00 C ATOM 115 C GLN A 238 0.247 -0.272 5.494 1.00 15.00 C ATOM 116 O GLN A 238 0.066 0.100 6.654 1.00 15.00 O ATOM 117 CB GLN A 238 2.474 0.697 4.952 1.00 15.00 C ATOM 118 CG GLN A 238 3.088 -0.642 5.343 1.00 15.00 C ATOM 119 CD GLN A 238 4.358 -0.493 6.163 1.00 15.00 C ATOM 120 OE1 GLN A 238 5.465 -0.455 5.625 1.00 15.00 O ATOM 121 NE2 GLN A 238 4.208 -0.416 7.477 1.00 15.00 N ATOM 0 H GLN A 238 0.490 2.436 5.325 1.00 15.00 H new ATOM 0 HA GLN A 238 0.982 0.158 3.513 1.00 15.00 H new ATOM 0 HB2 GLN A 238 3.059 1.133 4.142 1.00 15.00 H new ATOM 0 HB3 GLN A 238 2.544 1.380 5.798 1.00 15.00 H new ATOM 0 HG2 GLN A 238 2.359 -1.218 5.913 1.00 15.00 H new ATOM 0 HG3 GLN A 238 3.309 -1.212 4.441 1.00 15.00 H new ATOM 0 HE21 GLN A 238 3.275 -0.451 7.887 1.00 15.00 H new ATOM 0 HE22 GLN A 238 5.026 -0.322 8.079 1.00 15.00 H new ATOM 130 N ALA A 239 -0.181 -1.426 5.051 1.00 15.00 N ATOM 131 CA ALA A 239 -1.037 -2.249 5.867 1.00 15.00 C ATOM 132 C ALA A 239 -0.720 -3.719 5.729 1.00 15.00 C ATOM 133 O ALA A 239 -0.269 -4.173 4.678 1.00 15.00 O ATOM 134 CB ALA A 239 -2.464 -1.995 5.507 1.00 15.00 C ATOM 0 H ALA A 239 0.047 -1.816 4.136 1.00 15.00 H new ATOM 0 HA ALA A 239 -0.861 -1.980 6.909 1.00 15.00 H new ATOM 0 HB1 ALA A 239 -3.111 -2.618 6.124 1.00 15.00 H new ATOM 0 HB2 ALA A 239 -2.701 -0.945 5.677 1.00 15.00 H new ATOM 0 HB3 ALA A 239 -2.623 -2.237 4.456 1.00 15.00 H new ATOM 140 N MET A 240 -0.967 -4.452 6.799 1.00 15.00 N ATOM 141 CA MET A 240 -0.650 -5.862 6.857 1.00 15.00 C ATOM 142 C MET A 240 -1.830 -6.690 6.371 1.00 15.00 C ATOM 143 O MET A 240 -2.838 -6.826 7.064 1.00 15.00 O ATOM 144 CB MET A 240 -0.280 -6.279 8.288 1.00 15.00 C ATOM 145 CG MET A 240 0.891 -5.506 8.891 1.00 15.00 C ATOM 146 SD MET A 240 0.508 -3.774 9.254 1.00 15.00 S ATOM 147 CE MET A 240 -0.860 -3.954 10.399 1.00 15.00 C ATOM 0 H MET A 240 -1.393 -4.085 7.650 1.00 15.00 H new ATOM 0 HA MET A 240 0.206 -6.043 6.207 1.00 15.00 H new ATOM 0 HB2 MET A 240 -1.153 -6.149 8.928 1.00 15.00 H new ATOM 0 HB3 MET A 240 -0.038 -7.342 8.292 1.00 15.00 H new ATOM 0 HG2 MET A 240 1.206 -6.000 9.810 1.00 15.00 H new ATOM 0 HG3 MET A 240 1.735 -5.546 8.202 1.00 15.00 H new ATOM 0 HE1 MET A 240 -0.952 -3.050 11.001 1.00 15.00 H new ATOM 0 HE2 MET A 240 -1.783 -4.114 9.841 1.00 15.00 H new ATOM 0 HE3 MET A 240 -0.678 -4.807 11.052 1.00 15.00 H new ATOM 157 N THR A 241 -1.709 -7.226 5.172 1.00 15.00 N ATOM 158 CA THR A 241 -2.729 -8.103 4.633 1.00 15.00 C ATOM 159 C THR A 241 -2.415 -9.543 5.018 1.00 15.00 C ATOM 160 O THR A 241 -1.250 -9.899 5.208 1.00 15.00 O ATOM 161 CB THR A 241 -2.875 -7.972 3.098 1.00 15.00 C ATOM 162 OG1 THR A 241 -3.854 -8.899 2.614 1.00 15.00 O ATOM 163 CG2 THR A 241 -1.555 -8.219 2.389 1.00 15.00 C ATOM 0 H THR A 241 -0.914 -7.069 4.553 1.00 15.00 H new ATOM 0 HA THR A 241 -3.685 -7.804 5.063 1.00 15.00 H new ATOM 0 HB THR A 241 -3.194 -6.952 2.885 1.00 15.00 H new ATOM 0 HG1 THR A 241 -3.940 -8.807 1.642 1.00 15.00 H new ATOM 0 HG21 THR A 241 -1.696 -8.119 1.313 1.00 15.00 H new ATOM 0 HG22 THR A 241 -0.818 -7.491 2.728 1.00 15.00 H new ATOM 0 HG23 THR A 241 -1.202 -9.225 2.617 1.00 15.00 H new ATOM 171 N GLN A 242 -3.463 -10.350 5.158 1.00 15.00 N ATOM 172 CA GLN A 242 -3.357 -11.721 5.669 1.00 15.00 C ATOM 173 C GLN A 242 -2.446 -12.576 4.802 1.00 15.00 C ATOM 174 O GLN A 242 -1.904 -13.588 5.246 1.00 15.00 O ATOM 175 CB GLN A 242 -4.738 -12.349 5.695 1.00 15.00 C ATOM 176 CG GLN A 242 -5.774 -11.487 6.387 1.00 15.00 C ATOM 177 CD GLN A 242 -7.153 -12.115 6.413 1.00 15.00 C ATOM 178 OE1 GLN A 242 -7.926 -11.891 7.341 1.00 15.00 O ATOM 179 NE2 GLN A 242 -7.480 -12.891 5.391 1.00 15.00 N ATOM 0 H GLN A 242 -4.416 -10.074 4.920 1.00 15.00 H new ATOM 0 HA GLN A 242 -2.931 -11.675 6.671 1.00 15.00 H new ATOM 0 HB2 GLN A 242 -5.061 -12.543 4.672 1.00 15.00 H new ATOM 0 HB3 GLN A 242 -4.682 -13.313 6.200 1.00 15.00 H new ATOM 0 HG2 GLN A 242 -5.451 -11.293 7.410 1.00 15.00 H new ATOM 0 HG3 GLN A 242 -5.831 -10.523 5.882 1.00 15.00 H new ATOM 0 HE21 GLN A 242 -6.810 -13.053 4.639 1.00 15.00 H new ATOM 0 HE22 GLN A 242 -8.402 -13.327 5.356 1.00 15.00 H new ATOM 188 N ASP A 243 -2.332 -12.172 3.551 1.00 15.00 N ATOM 189 CA ASP A 243 -1.411 -12.793 2.593 1.00 15.00 C ATOM 190 C ASP A 243 0.040 -12.663 3.059 1.00 15.00 C ATOM 191 O ASP A 243 0.940 -13.334 2.556 1.00 15.00 O ATOM 192 CB ASP A 243 -1.561 -12.112 1.243 1.00 15.00 C ATOM 193 CG ASP A 243 -0.859 -12.855 0.123 1.00 15.00 C ATOM 194 OD1 ASP A 243 -1.230 -14.024 -0.143 1.00 15.00 O ATOM 195 OD2 ASP A 243 0.033 -12.271 -0.522 1.00 15.00 O1- ATOM 0 H ASP A 243 -2.874 -11.401 3.160 1.00 15.00 H new ATOM 0 HA ASP A 243 -1.657 -13.852 2.516 1.00 15.00 H new ATOM 0 HB2 ASP A 243 -2.621 -12.022 1.003 1.00 15.00 H new ATOM 0 HB3 ASP A 243 -1.161 -11.100 1.306 1.00 15.00 H new ATOM 200 N GLY A 244 0.242 -11.774 4.012 1.00 15.00 N ATOM 201 CA GLY A 244 1.550 -11.571 4.613 1.00 15.00 C ATOM 202 C GLY A 244 2.360 -10.513 3.896 1.00 15.00 C ATOM 203 O GLY A 244 3.563 -10.668 3.686 1.00 15.00 O ATOM 0 H GLY A 244 -0.490 -11.174 4.391 1.00 15.00 H new ATOM 0 HA2 GLY A 244 1.426 -11.283 5.657 1.00 15.00 H new ATOM 0 HA3 GLY A 244 2.100 -12.512 4.605 1.00 15.00 H new ATOM 207 N GLU A 245 1.695 -9.418 3.554 1.00 15.00 N ATOM 208 CA GLU A 245 2.335 -8.303 2.861 1.00 15.00 C ATOM 209 C GLU A 245 1.939 -6.980 3.493 1.00 15.00 C ATOM 210 O GLU A 245 0.802 -6.812 3.937 1.00 15.00 O ATOM 211 CB GLU A 245 1.937 -8.292 1.383 1.00 15.00 C ATOM 212 CG GLU A 245 2.703 -9.291 0.530 1.00 15.00 C ATOM 213 CD GLU A 245 4.185 -8.987 0.450 1.00 15.00 C ATOM 214 OE1 GLU A 245 4.573 -8.106 -0.336 1.00 15.00 O1- ATOM 215 OE2 GLU A 245 4.973 -9.641 1.169 1.00 15.00 O ATOM 0 H GLU A 245 0.703 -9.276 3.746 1.00 15.00 H new ATOM 0 HA GLU A 245 3.414 -8.432 2.945 1.00 15.00 H new ATOM 0 HB2 GLU A 245 0.871 -8.503 1.303 1.00 15.00 H new ATOM 0 HB3 GLU A 245 2.095 -7.291 0.982 1.00 15.00 H new ATOM 0 HG2 GLU A 245 2.565 -10.292 0.940 1.00 15.00 H new ATOM 0 HG3 GLU A 245 2.284 -9.298 -0.476 1.00 15.00 H new ATOM 222 N ILE A 246 2.876 -6.046 3.530 1.00 15.00 N ATOM 223 CA ILE A 246 2.573 -4.689 3.946 1.00 15.00 C ATOM 224 C ILE A 246 2.402 -3.814 2.706 1.00 15.00 C ATOM 225 O ILE A 246 3.372 -3.330 2.132 1.00 15.00 O ATOM 226 CB ILE A 246 3.656 -4.106 4.892 1.00 15.00 C ATOM 227 CG1 ILE A 246 5.043 -4.118 4.231 1.00 15.00 C ATOM 228 CG2 ILE A 246 3.675 -4.878 6.205 1.00 15.00 C ATOM 229 CD1 ILE A 246 6.164 -3.657 5.140 1.00 15.00 C ATOM 0 H ILE A 246 3.851 -6.204 3.277 1.00 15.00 H new ATOM 0 HA ILE A 246 1.645 -4.705 4.517 1.00 15.00 H new ATOM 0 HB ILE A 246 3.402 -3.066 5.100 1.00 15.00 H new ATOM 0 HG12 ILE A 246 5.261 -5.129 3.887 1.00 15.00 H new ATOM 0 HG13 ILE A 246 5.019 -3.479 3.348 1.00 15.00 H new ATOM 0 HG21 ILE A 246 4.439 -4.461 6.861 1.00 15.00 H new ATOM 0 HG22 ILE A 246 2.700 -4.800 6.687 1.00 15.00 H new ATOM 0 HG23 ILE A 246 3.900 -5.926 6.008 1.00 15.00 H new ATOM 0 HD11 ILE A 246 7.110 -3.695 4.599 1.00 15.00 H new ATOM 0 HD12 ILE A 246 5.972 -2.634 5.465 1.00 15.00 H new ATOM 0 HD13 ILE A 246 6.218 -4.310 6.011 1.00 15.00 H new ATOM 241 N TYR A 247 1.161 -3.587 2.311 1.00 15.00 N ATOM 242 CA TYR A 247 0.892 -3.019 0.999 1.00 15.00 C ATOM 243 C TYR A 247 0.874 -1.498 1.074 1.00 15.00 C ATOM 244 O TYR A 247 0.543 -0.919 2.105 1.00 15.00 O ATOM 245 CB TYR A 247 -0.447 -3.562 0.418 1.00 15.00 C ATOM 246 CG TYR A 247 -1.706 -2.919 0.994 1.00 15.00 C ATOM 247 CD1 TYR A 247 -1.946 -1.562 0.831 1.00 15.00 C ATOM 248 CD2 TYR A 247 -2.637 -3.663 1.709 1.00 15.00 C ATOM 249 CE1 TYR A 247 -3.046 -0.952 1.362 1.00 15.00 C ATOM 250 CE2 TYR A 247 -3.767 -3.059 2.252 1.00 15.00 C ATOM 251 CZ TYR A 247 -3.960 -1.700 2.079 1.00 15.00 C ATOM 252 OH TYR A 247 -5.071 -1.095 2.618 1.00 15.00 O ATOM 0 H TYR A 247 0.332 -3.784 2.871 1.00 15.00 H new ATOM 0 HA TYR A 247 1.693 -3.322 0.325 1.00 15.00 H new ATOM 0 HB2 TYR A 247 -0.443 -3.415 -0.662 1.00 15.00 H new ATOM 0 HB3 TYR A 247 -0.493 -4.637 0.593 1.00 15.00 H new ATOM 0 HD1 TYR A 247 -1.241 -0.970 0.267 1.00 15.00 H new ATOM 0 HD2 TYR A 247 -2.482 -4.723 1.845 1.00 15.00 H new ATOM 0 HE1 TYR A 247 -3.201 0.108 1.223 1.00 15.00 H new ATOM 0 HE2 TYR A 247 -4.487 -3.646 2.803 1.00 15.00 H new ATOM 0 HH TYR A 247 -5.872 -1.603 2.372 1.00 15.00 H new ATOM 262 N TYR A 248 1.248 -0.879 -0.025 1.00 15.00 N ATOM 263 CA TYR A 248 1.241 0.565 -0.182 1.00 15.00 C ATOM 264 C TYR A 248 0.225 0.980 -1.240 1.00 15.00 C ATOM 265 O TYR A 248 0.349 0.604 -2.401 1.00 15.00 O ATOM 266 CB TYR A 248 2.645 1.012 -0.520 1.00 15.00 C ATOM 267 CG TYR A 248 3.504 1.163 0.708 1.00 15.00 C ATOM 268 CD1 TYR A 248 4.116 0.059 1.295 1.00 15.00 C ATOM 269 CD2 TYR A 248 3.721 2.417 1.275 1.00 15.00 C ATOM 270 CE1 TYR A 248 4.910 0.205 2.410 1.00 15.00 C ATOM 271 CE2 TYR A 248 4.518 2.558 2.374 1.00 15.00 C ATOM 272 CZ TYR A 248 5.113 1.458 2.942 1.00 15.00 C ATOM 273 OH TYR A 248 5.913 1.611 4.050 1.00 15.00 O ATOM 0 H TYR A 248 1.573 -1.375 -0.855 1.00 15.00 H new ATOM 0 HA TYR A 248 0.936 1.052 0.744 1.00 15.00 H new ATOM 0 HB2 TYR A 248 3.102 0.289 -1.195 1.00 15.00 H new ATOM 0 HB3 TYR A 248 2.604 1.962 -1.052 1.00 15.00 H new ATOM 0 HD1 TYR A 248 3.966 -0.923 0.871 1.00 15.00 H new ATOM 0 HD2 TYR A 248 3.253 3.288 0.840 1.00 15.00 H new ATOM 0 HE1 TYR A 248 5.371 -0.659 2.865 1.00 15.00 H new ATOM 0 HE2 TYR A 248 4.681 3.538 2.798 1.00 15.00 H new ATOM 0 HH TYR A 248 5.958 0.764 4.540 1.00 15.00 H new ATOM 283 N ILE A 249 -0.801 1.732 -0.834 1.00 15.00 N ATOM 284 CA ILE A 249 -1.747 2.304 -1.795 1.00 15.00 C ATOM 285 C ILE A 249 -1.879 3.808 -1.606 1.00 15.00 C ATOM 286 O ILE A 249 -2.026 4.306 -0.485 1.00 15.00 O ATOM 287 CB ILE A 249 -3.155 1.666 -1.736 1.00 15.00 C ATOM 288 CG1 ILE A 249 -3.803 1.851 -0.363 1.00 15.00 C ATOM 289 CG2 ILE A 249 -3.092 0.197 -2.107 1.00 15.00 C ATOM 290 CD1 ILE A 249 -5.092 1.074 -0.209 1.00 15.00 C ATOM 0 H ILE A 249 -0.997 1.957 0.141 1.00 15.00 H new ATOM 0 HA ILE A 249 -1.326 2.082 -2.776 1.00 15.00 H new ATOM 0 HB ILE A 249 -3.781 2.182 -2.465 1.00 15.00 H new ATOM 0 HG12 ILE A 249 -3.101 1.537 0.409 1.00 15.00 H new ATOM 0 HG13 ILE A 249 -4.002 2.910 -0.201 1.00 15.00 H new ATOM 0 HG21 ILE A 249 -4.092 -0.233 -2.059 1.00 15.00 H new ATOM 0 HG22 ILE A 249 -2.700 0.094 -3.119 1.00 15.00 H new ATOM 0 HG23 ILE A 249 -2.438 -0.327 -1.410 1.00 15.00 H new ATOM 0 HD11 ILE A 249 -5.504 1.246 0.786 1.00 15.00 H new ATOM 0 HD12 ILE A 249 -5.809 1.405 -0.961 1.00 15.00 H new ATOM 0 HD13 ILE A 249 -4.894 0.010 -0.341 1.00 15.00 H new ATOM 302 N ASN A 250 -1.798 4.530 -2.710 1.00 15.00 N ATOM 303 CA ASN A 250 -1.908 5.976 -2.686 1.00 15.00 C ATOM 304 C ASN A 250 -3.055 6.411 -3.576 1.00 15.00 C ATOM 305 O ASN A 250 -3.230 5.872 -4.668 1.00 15.00 O ATOM 306 CB ASN A 250 -0.616 6.631 -3.183 1.00 15.00 C ATOM 307 CG ASN A 250 -0.518 8.100 -2.802 1.00 15.00 C ATOM 308 OD1 ASN A 250 -1.514 8.745 -2.501 1.00 15.00 O ATOM 309 ND2 ASN A 250 0.683 8.648 -2.844 1.00 15.00 N ATOM 0 H ASN A 250 -1.656 4.134 -3.639 1.00 15.00 H new ATOM 0 HA ASN A 250 -2.088 6.289 -1.657 1.00 15.00 H new ATOM 0 HB2 ASN A 250 0.240 6.095 -2.772 1.00 15.00 H new ATOM 0 HB3 ASN A 250 -0.560 6.537 -4.267 1.00 15.00 H new ATOM 0 HD21 ASN A 250 0.801 9.637 -2.622 1.00 15.00 H new ATOM 0 HD22 ASN A 250 1.493 8.083 -3.099 1.00 15.00 H new ATOM 316 N HIS A 251 -3.809 7.396 -3.115 1.00 15.00 N ATOM 317 CA HIS A 251 -4.893 7.973 -3.897 1.00 15.00 C ATOM 318 C HIS A 251 -4.353 9.040 -4.842 1.00 15.00 C ATOM 319 O HIS A 251 -5.022 9.450 -5.791 1.00 15.00 O ATOM 320 CB HIS A 251 -5.964 8.548 -2.972 1.00 15.00 C ATOM 321 CG HIS A 251 -6.766 7.492 -2.275 1.00 15.00 C ATOM 322 ND1 HIS A 251 -6.242 6.630 -1.328 1.00 15.00 N ATOM 323 CD2 HIS A 251 -8.066 7.147 -2.411 1.00 15.00 C ATOM 324 CE1 HIS A 251 -7.187 5.809 -0.920 1.00 15.00 C ATOM 325 NE2 HIS A 251 -8.304 6.098 -1.562 1.00 15.00 N ATOM 0 H HIS A 251 -3.689 7.817 -2.194 1.00 15.00 H new ATOM 0 HA HIS A 251 -5.352 7.189 -4.500 1.00 15.00 H new ATOM 0 HB2 HIS A 251 -5.488 9.186 -2.227 1.00 15.00 H new ATOM 0 HB3 HIS A 251 -6.635 9.182 -3.552 1.00 15.00 H new ATOM 0 HD1 HIS A 251 -5.277 6.630 -0.998 1.00 15.00 H new ATOM 0 HD2 HIS A 251 -8.785 7.613 -3.068 1.00 15.00 H new ATOM 0 HE1 HIS A 251 -7.068 5.029 -0.183 1.00 15.00 H new ATOM 334 N LYS A 252 -3.141 9.495 -4.558 1.00 15.00 N ATOM 335 CA LYS A 252 -2.421 10.388 -5.452 1.00 15.00 C ATOM 336 C LYS A 252 -1.740 9.578 -6.551 1.00 15.00 C ATOM 337 O LYS A 252 -1.609 10.028 -7.691 1.00 15.00 O ATOM 338 CB LYS A 252 -1.383 11.196 -4.666 1.00 15.00 C ATOM 339 CG LYS A 252 -0.475 12.053 -5.528 1.00 15.00 C ATOM 340 CD LYS A 252 0.612 12.710 -4.694 1.00 15.00 C ATOM 341 CE LYS A 252 1.634 13.421 -5.565 1.00 15.00 C ATOM 342 NZ LYS A 252 2.718 14.037 -4.757 1.00 15.00 N1+ ATOM 0 H LYS A 252 -2.632 9.257 -3.707 1.00 15.00 H new ATOM 0 HA LYS A 252 -3.127 11.081 -5.909 1.00 15.00 H new ATOM 0 HB2 LYS A 252 -1.902 11.839 -3.955 1.00 15.00 H new ATOM 0 HB3 LYS A 252 -0.769 10.508 -4.084 1.00 15.00 H new ATOM 0 HG2 LYS A 252 -0.020 11.439 -6.305 1.00 15.00 H new ATOM 0 HG3 LYS A 252 -1.064 12.819 -6.032 1.00 15.00 H new ATOM 0 HD2 LYS A 252 0.161 13.424 -4.005 1.00 15.00 H new ATOM 0 HD3 LYS A 252 1.112 11.955 -4.088 1.00 15.00 H new ATOM 0 HE2 LYS A 252 2.066 12.711 -6.271 1.00 15.00 H new ATOM 0 HE3 LYS A 252 1.136 14.192 -6.153 1.00 15.00 H new ATOM 0 HZ1 LYS A 252 3.245 14.715 -5.343 1.00 15.00 H new ATOM 0 HZ2 LYS A 252 2.304 14.533 -3.942 1.00 15.00 H new ATOM 0 HZ3 LYS A 252 3.364 13.295 -4.420 1.00 15.00 H new ATOM 356 N ASN A 253 -1.310 8.374 -6.192 1.00 15.00 N ATOM 357 CA ASN A 253 -0.633 7.486 -7.131 1.00 15.00 C ATOM 358 C ASN A 253 -1.641 6.584 -7.828 1.00 15.00 C ATOM 359 O ASN A 253 -1.350 6.003 -8.872 1.00 15.00 O ATOM 360 CB ASN A 253 0.436 6.639 -6.421 1.00 15.00 C ATOM 361 CG ASN A 253 1.621 7.465 -5.950 1.00 15.00 C ATOM 362 OD1 ASN A 253 1.487 8.643 -5.634 1.00 15.00 O ATOM 363 ND2 ASN A 253 2.790 6.847 -5.891 1.00 15.00 N ATOM 0 H ASN A 253 -1.419 7.989 -5.254 1.00 15.00 H new ATOM 0 HA ASN A 253 -0.135 8.104 -7.878 1.00 15.00 H new ATOM 0 HB2 ASN A 253 -0.014 6.136 -5.565 1.00 15.00 H new ATOM 0 HB3 ASN A 253 0.787 5.861 -7.099 1.00 15.00 H new ATOM 0 HD21 ASN A 253 3.618 7.351 -5.575 1.00 15.00 H new ATOM 0 HD22 ASN A 253 2.863 5.866 -6.162 1.00 15.00 H new ATOM 370 N LYS A 254 -2.822 6.460 -7.220 1.00 15.00 N ATOM 371 CA LYS A 254 -3.923 5.670 -7.767 1.00 15.00 C ATOM 372 C LYS A 254 -3.483 4.219 -7.999 1.00 15.00 C ATOM 373 O LYS A 254 -3.978 3.544 -8.899 1.00 15.00 O ATOM 374 CB LYS A 254 -4.424 6.308 -9.075 1.00 15.00 C ATOM 375 CG LYS A 254 -5.758 5.755 -9.564 1.00 15.00 C ATOM 376 CD LYS A 254 -6.240 6.462 -10.822 1.00 15.00 C ATOM 377 CE LYS A 254 -6.539 7.929 -10.560 1.00 15.00 C ATOM 378 NZ LYS A 254 -7.094 8.609 -11.761 1.00 15.00 N1+ ATOM 0 H LYS A 254 -3.041 6.908 -6.330 1.00 15.00 H new ATOM 0 HA LYS A 254 -4.743 5.659 -7.048 1.00 15.00 H new ATOM 0 HB2 LYS A 254 -4.520 7.384 -8.929 1.00 15.00 H new ATOM 0 HB3 LYS A 254 -3.674 6.158 -9.851 1.00 15.00 H new ATOM 0 HG2 LYS A 254 -5.657 4.688 -9.763 1.00 15.00 H new ATOM 0 HG3 LYS A 254 -6.506 5.863 -8.778 1.00 15.00 H new ATOM 0 HD2 LYS A 254 -5.482 6.378 -11.600 1.00 15.00 H new ATOM 0 HD3 LYS A 254 -7.137 5.969 -11.196 1.00 15.00 H new ATOM 0 HE2 LYS A 254 -7.248 8.013 -9.736 1.00 15.00 H new ATOM 0 HE3 LYS A 254 -5.626 8.435 -10.247 1.00 15.00 H new ATOM 0 HZ1 LYS A 254 -7.283 9.607 -11.538 1.00 15.00 H new ATOM 0 HZ2 LYS A 254 -6.408 8.552 -12.540 1.00 15.00 H new ATOM 0 HZ3 LYS A 254 -7.980 8.144 -12.045 1.00 15.00 H new ATOM 392 N THR A 255 -2.598 3.716 -7.147 1.00 15.00 N ATOM 393 CA THR A 255 -2.042 2.386 -7.366 1.00 15.00 C ATOM 394 C THR A 255 -1.671 1.651 -6.119 1.00 15.00 C ATOM 395 O THR A 255 -1.347 2.223 -5.073 1.00 15.00 O ATOM 396 CB THR A 255 -0.845 2.313 -8.322 1.00 15.00 C ATOM 397 OG1 THR A 255 -0.303 0.985 -8.359 1.00 15.00 O ATOM 398 CG2 THR A 255 0.263 3.292 -7.949 1.00 15.00 C ATOM 0 H THR A 255 -2.255 4.196 -6.315 1.00 15.00 H new ATOM 0 HA THR A 255 -2.892 1.896 -7.841 1.00 15.00 H new ATOM 0 HB THR A 255 -1.224 2.589 -9.306 1.00 15.00 H new ATOM 0 HG1 THR A 255 0.458 0.959 -8.976 1.00 15.00 H new ATOM 0 HG21 THR A 255 1.085 3.198 -8.658 1.00 15.00 H new ATOM 0 HG22 THR A 255 -0.126 4.310 -7.977 1.00 15.00 H new ATOM 0 HG23 THR A 255 0.623 3.069 -6.945 1.00 15.00 H new ATOM 406 N THR A 256 -1.764 0.365 -6.287 1.00 15.00 N ATOM 407 CA THR A 256 -1.462 -0.597 -5.245 1.00 15.00 C ATOM 408 C THR A 256 -0.101 -1.247 -5.506 1.00 15.00 C ATOM 409 O THR A 256 0.126 -1.842 -6.562 1.00 15.00 O ATOM 410 CB THR A 256 -2.536 -1.692 -5.167 1.00 15.00 C ATOM 411 OG1 THR A 256 -3.832 -1.093 -5.046 1.00 15.00 O ATOM 412 CG2 THR A 256 -2.276 -2.610 -3.981 1.00 15.00 C ATOM 0 H THR A 256 -2.057 -0.062 -7.166 1.00 15.00 H new ATOM 0 HA THR A 256 -1.441 -0.060 -4.296 1.00 15.00 H new ATOM 0 HB THR A 256 -2.497 -2.285 -6.081 1.00 15.00 H new ATOM 0 HG1 THR A 256 -4.185 -1.257 -4.147 1.00 15.00 H new ATOM 0 HG21 THR A 256 -3.047 -3.380 -3.941 1.00 15.00 H new ATOM 0 HG22 THR A 256 -1.299 -3.080 -4.092 1.00 15.00 H new ATOM 0 HG23 THR A 256 -2.296 -2.028 -3.059 1.00 15.00 H new ATOM 420 N SER A 257 0.796 -1.111 -4.549 1.00 15.00 N ATOM 421 CA SER A 257 2.129 -1.676 -4.642 1.00 15.00 C ATOM 422 C SER A 257 2.379 -2.589 -3.440 1.00 15.00 C ATOM 423 O SER A 257 1.926 -2.297 -2.335 1.00 15.00 O ATOM 424 CB SER A 257 3.157 -0.542 -4.692 1.00 15.00 C ATOM 425 OG SER A 257 4.471 -1.044 -4.876 1.00 15.00 O ATOM 0 H SER A 257 0.621 -0.604 -3.682 1.00 15.00 H new ATOM 0 HA SER A 257 2.223 -2.269 -5.551 1.00 15.00 H new ATOM 0 HB2 SER A 257 2.909 0.141 -5.505 1.00 15.00 H new ATOM 0 HB3 SER A 257 3.112 0.034 -3.768 1.00 15.00 H new ATOM 0 HG SER A 257 5.105 -0.297 -4.906 1.00 15.00 H new ATOM 431 N TRP A 258 3.093 -3.688 -3.663 1.00 15.00 N ATOM 432 CA TRP A 258 3.339 -4.674 -2.611 1.00 15.00 C ATOM 433 C TRP A 258 4.158 -4.122 -1.452 1.00 15.00 C ATOM 434 O TRP A 258 3.738 -4.184 -0.307 1.00 15.00 O ATOM 435 CB TRP A 258 4.070 -5.894 -3.164 1.00 15.00 C ATOM 436 CG TRP A 258 3.167 -6.916 -3.770 1.00 15.00 C ATOM 437 CD1 TRP A 258 3.270 -7.462 -5.011 1.00 15.00 C ATOM 438 CD2 TRP A 258 2.016 -7.505 -3.166 1.00 15.00 C ATOM 439 NE1 TRP A 258 2.272 -8.375 -5.208 1.00 15.00 N ATOM 440 CE2 TRP A 258 1.485 -8.414 -4.093 1.00 15.00 C ATOM 441 CE3 TRP A 258 1.381 -7.358 -1.929 1.00 15.00 C ATOM 442 CZ2 TRP A 258 0.359 -9.169 -3.827 1.00 15.00 C ATOM 443 CZ3 TRP A 258 0.248 -8.107 -1.674 1.00 15.00 C ATOM 444 CH2 TRP A 258 -0.246 -9.004 -2.627 1.00 15.00 C ATOM 0 H TRP A 258 3.513 -3.920 -4.563 1.00 15.00 H new ATOM 0 HA TRP A 258 2.352 -4.950 -2.238 1.00 15.00 H new ATOM 0 HB2 TRP A 258 4.787 -5.566 -3.916 1.00 15.00 H new ATOM 0 HB3 TRP A 258 4.641 -6.359 -2.360 1.00 15.00 H new ATOM 0 HD1 TRP A 258 4.030 -7.211 -5.736 1.00 15.00 H new ATOM 0 HE1 TRP A 258 2.137 -8.935 -6.050 1.00 15.00 H new ATOM 0 HE3 TRP A 258 1.768 -6.674 -1.188 1.00 15.00 H new ATOM 0 HZ2 TRP A 258 -0.027 -9.869 -4.554 1.00 15.00 H new ATOM 0 HZ3 TRP A 258 -0.262 -7.999 -0.728 1.00 15.00 H new ATOM 0 HH2 TRP A 258 -1.132 -9.579 -2.400 1.00 15.00 H new ATOM 455 N LEU A 259 5.335 -3.611 -1.764 1.00 15.00 N ATOM 456 CA LEU A 259 6.343 -3.342 -0.752 1.00 15.00 C ATOM 457 C LEU A 259 6.754 -1.873 -0.680 1.00 15.00 C ATOM 458 O LEU A 259 6.537 -1.113 -1.627 1.00 15.00 O ATOM 459 CB LEU A 259 7.564 -4.234 -0.909 1.00 15.00 C ATOM 460 CG LEU A 259 7.594 -5.422 0.052 1.00 15.00 C ATOM 461 CD1 LEU A 259 8.957 -6.088 0.006 1.00 15.00 C ATOM 462 CD2 LEU A 259 7.261 -4.973 1.474 1.00 15.00 C ATOM 0 H LEU A 259 5.618 -3.373 -2.714 1.00 15.00 H new ATOM 0 HA LEU A 259 5.865 -3.582 0.198 1.00 15.00 H new ATOM 0 HB2 LEU A 259 7.599 -4.607 -1.933 1.00 15.00 H new ATOM 0 HB3 LEU A 259 8.461 -3.634 -0.757 1.00 15.00 H new ATOM 0 HG LEU A 259 6.839 -6.145 -0.258 1.00 15.00 H new ATOM 0 HD11 LEU A 259 8.972 -6.934 0.693 1.00 15.00 H new ATOM 0 HD12 LEU A 259 9.156 -6.439 -1.006 1.00 15.00 H new ATOM 0 HD13 LEU A 259 9.723 -5.370 0.298 1.00 15.00 H new ATOM 0 HD21 LEU A 259 7.288 -5.833 2.143 1.00 15.00 H new ATOM 0 HD22 LEU A 259 7.992 -4.235 1.803 1.00 15.00 H new ATOM 0 HD23 LEU A 259 6.265 -4.530 1.492 1.00 15.00 H new ATOM 474 N ASP A 260 7.367 -1.492 0.450 1.00 15.00 N ATOM 475 CA ASP A 260 7.575 -0.103 0.810 1.00 15.00 C ATOM 476 C ASP A 260 8.398 0.631 -0.235 1.00 15.00 C ATOM 477 O ASP A 260 9.521 0.257 -0.566 1.00 15.00 O ATOM 478 CB ASP A 260 8.268 -0.028 2.179 1.00 15.00 C ATOM 479 CG ASP A 260 9.514 -0.890 2.279 1.00 15.00 C ATOM 480 OD1 ASP A 260 9.403 -2.125 2.131 1.00 15.00 O ATOM 481 OD2 ASP A 260 10.604 -0.341 2.540 1.00 15.00 O1- ATOM 0 H ASP A 260 7.731 -2.152 1.137 1.00 15.00 H new ATOM 0 HA ASP A 260 6.602 0.385 0.862 1.00 15.00 H new ATOM 0 HB2 ASP A 260 8.536 1.008 2.385 1.00 15.00 H new ATOM 0 HB3 ASP A 260 7.562 -0.334 2.951 1.00 15.00 H new ATOM 486 N PRO A 261 7.815 1.722 -0.751 1.00 15.00 N ATOM 487 CA PRO A 261 8.318 2.468 -1.888 1.00 15.00 C ATOM 488 C PRO A 261 9.363 3.436 -1.540 1.00 15.00 C ATOM 489 O PRO A 261 10.012 4.123 -2.325 1.00 15.00 O ATOM 490 CB PRO A 261 7.062 3.065 -2.505 1.00 15.00 C ATOM 491 CG PRO A 261 6.225 3.373 -1.300 1.00 15.00 C ATOM 492 CD PRO A 261 6.566 2.322 -0.263 1.00 15.00 C ATOM 0 HA PRO A 261 8.852 1.843 -2.604 1.00 15.00 H new ATOM 0 HB2 PRO A 261 7.281 3.960 -3.087 1.00 15.00 H new ATOM 0 HB3 PRO A 261 6.566 2.363 -3.175 1.00 15.00 H new ATOM 0 HG2 PRO A 261 6.439 4.373 -0.924 1.00 15.00 H new ATOM 0 HG3 PRO A 261 5.164 3.345 -1.547 1.00 15.00 H new ATOM 0 HD2 PRO A 261 6.697 2.765 0.724 1.00 15.00 H new ATOM 0 HD3 PRO A 261 5.775 1.578 -0.176 1.00 15.00 H new ATOM 500 N ARG A 262 9.396 3.444 -0.336 1.00 15.00 N ATOM 501 CA ARG A 262 10.186 4.370 0.472 1.00 15.00 C ATOM 502 C ARG A 262 11.580 3.811 0.728 1.00 15.00 C ATOM 503 O ARG A 262 12.452 4.501 1.253 1.00 15.00 O ATOM 504 CB ARG A 262 9.487 4.741 1.796 1.00 15.00 C ATOM 505 CG ARG A 262 8.912 3.580 2.607 1.00 15.00 C ATOM 506 CD ARG A 262 9.968 2.585 3.069 1.00 15.00 C ATOM 507 NE ARG A 262 11.065 3.195 3.815 1.00 15.00 N ATOM 508 CZ ARG A 262 12.075 2.493 4.332 1.00 15.00 C ATOM 509 NH1 ARG A 262 12.122 1.174 4.169 1.00 15.00 N1+ ATOM 510 NH2 ARG A 262 13.052 3.110 4.984 1.00 15.00 N ATOM 0 H ARG A 262 8.859 2.785 0.228 1.00 15.00 H new ATOM 0 HA ARG A 262 10.282 5.292 -0.102 1.00 15.00 H new ATOM 0 HB2 ARG A 262 10.202 5.275 2.422 1.00 15.00 H new ATOM 0 HB3 ARG A 262 8.678 5.436 1.572 1.00 15.00 H new ATOM 0 HG2 ARG A 262 8.392 3.978 3.478 1.00 15.00 H new ATOM 0 HG3 ARG A 262 8.170 3.057 2.004 1.00 15.00 H new ATOM 0 HD2 ARG A 262 9.493 1.828 3.693 1.00 15.00 H new ATOM 0 HD3 ARG A 262 10.375 2.070 2.198 1.00 15.00 H new ATOM 0 HE ARG A 262 11.059 4.206 3.947 1.00 15.00 H new ATOM 0 HH11 ARG A 262 11.385 0.698 3.648 1.00 15.00 H new ATOM 0 HH12 ARG A 262 12.895 0.638 4.565 1.00 15.00 H new ATOM 0 HH21 ARG A 262 13.032 4.124 5.091 1.00 15.00 H new ATOM 0 HH22 ARG A 262 13.823 2.570 5.378 1.00 15.00 H new ATOM 524 N LEU A 263 11.764 2.545 0.375 1.00 15.00 N ATOM 525 CA LEU A 263 13.026 1.863 0.585 1.00 15.00 C ATOM 526 C LEU A 263 14.091 2.414 -0.352 1.00 15.00 C ATOM 527 O LEU A 263 14.018 2.135 -1.566 1.00 15.00 O ATOM 528 CB LEU A 263 12.851 0.357 0.365 1.00 15.00 C ATOM 529 CG LEU A 263 14.114 -0.479 0.587 1.00 15.00 C ATOM 530 CD1 LEU A 263 14.570 -0.392 2.033 1.00 15.00 C ATOM 531 CD2 LEU A 263 13.876 -1.926 0.187 1.00 15.00 C ATOM 532 OXT LEU A 263 15.004 3.115 0.129 1.00 15.00 O ATOM 0 H LEU A 263 11.045 1.969 -0.062 1.00 15.00 H new ATOM 0 HA LEU A 263 13.349 2.034 1.612 1.00 15.00 H new ATOM 0 HB2 LEU A 263 12.071 -0.005 1.035 1.00 15.00 H new ATOM 0 HB3 LEU A 263 12.498 0.192 -0.653 1.00 15.00 H new ATOM 0 HG LEU A 263 14.905 -0.074 -0.044 1.00 15.00 H new ATOM 0 HD11 LEU A 263 15.469 -0.994 2.168 1.00 15.00 H new ATOM 0 HD12 LEU A 263 14.787 0.646 2.284 1.00 15.00 H new ATOM 0 HD13 LEU A 263 13.782 -0.766 2.686 1.00 15.00 H new ATOM 0 HD21 LEU A 263 14.786 -2.504 0.352 1.00 15.00 H new ATOM 0 HD22 LEU A 263 13.068 -2.342 0.789 1.00 15.00 H new ATOM 0 HD23 LEU A 263 13.604 -1.972 -0.867 1.00 15.00 H new ATOM 545 N THR B 222 1.857 -12.458 -7.996 1.00 15.00 N ATOM 546 CA THR B 222 0.419 -12.479 -7.655 1.00 15.00 C ATOM 547 C THR B 222 -0.001 -11.087 -7.190 1.00 15.00 C ATOM 548 O THR B 222 0.642 -10.524 -6.319 1.00 15.00 O ATOM 549 CB THR B 222 0.170 -13.512 -6.537 1.00 15.00 C ATOM 550 OG1 THR B 222 1.074 -14.617 -6.703 1.00 15.00 O ATOM 551 CG2 THR B 222 -1.264 -14.027 -6.561 1.00 15.00 C ATOM 0 HA THR B 222 -0.168 -12.760 -8.529 1.00 15.00 H new ATOM 0 HB THR B 222 0.339 -13.022 -5.578 1.00 15.00 H new ATOM 0 HG1 THR B 222 1.866 -14.320 -7.197 1.00 15.00 H new ATOM 0 HG21 THR B 222 -1.403 -14.753 -5.760 1.00 15.00 H new ATOM 0 HG22 THR B 222 -1.952 -13.194 -6.420 1.00 15.00 H new ATOM 0 HG23 THR B 222 -1.463 -14.503 -7.521 1.00 15.00 H new ATOM 561 N PRO B 223 -1.050 -10.494 -7.788 1.00 15.00 N ATOM 562 CA PRO B 223 -1.441 -9.106 -7.487 1.00 15.00 C ATOM 563 C PRO B 223 -1.988 -8.919 -6.054 1.00 15.00 C ATOM 564 O PRO B 223 -2.531 -9.865 -5.475 1.00 15.00 O ATOM 565 CB PRO B 223 -2.538 -8.818 -8.518 1.00 15.00 C ATOM 566 CG PRO B 223 -3.083 -10.153 -8.884 1.00 15.00 C ATOM 567 CD PRO B 223 -1.922 -11.102 -8.811 1.00 15.00 C ATOM 0 HA PRO B 223 -0.586 -8.432 -7.541 1.00 15.00 H new ATOM 0 HB2 PRO B 223 -3.314 -8.176 -8.100 1.00 15.00 H new ATOM 0 HB3 PRO B 223 -2.135 -8.304 -9.390 1.00 15.00 H new ATOM 0 HG2 PRO B 223 -3.877 -10.453 -8.200 1.00 15.00 H new ATOM 0 HG3 PRO B 223 -3.514 -10.139 -9.885 1.00 15.00 H new ATOM 0 HD2 PRO B 223 -2.239 -12.105 -8.525 1.00 15.00 H new ATOM 0 HD3 PRO B 223 -1.414 -11.191 -9.771 1.00 15.00 H new ATOM 575 N PRO B 224 -1.908 -7.688 -5.472 1.00 15.00 N ATOM 576 CA PRO B 224 -2.433 -7.381 -4.148 1.00 15.00 C ATOM 577 C PRO B 224 -3.872 -6.886 -4.253 1.00 15.00 C ATOM 578 O PRO B 224 -4.420 -6.834 -5.355 1.00 15.00 O ATOM 579 CB PRO B 224 -1.495 -6.256 -3.650 1.00 15.00 C ATOM 580 CG PRO B 224 -0.836 -5.701 -4.873 1.00 15.00 C ATOM 581 CD PRO B 224 -1.391 -6.449 -6.057 1.00 15.00 C ATOM 0 HA PRO B 224 -2.457 -8.240 -3.478 1.00 15.00 H new ATOM 0 HB2 PRO B 224 -2.056 -5.484 -3.124 1.00 15.00 H new ATOM 0 HB3 PRO B 224 -0.755 -6.645 -2.950 1.00 15.00 H new ATOM 0 HG2 PRO B 224 -1.034 -4.633 -4.966 1.00 15.00 H new ATOM 0 HG3 PRO B 224 0.246 -5.821 -4.815 1.00 15.00 H new ATOM 0 HD2 PRO B 224 -2.178 -5.883 -6.556 1.00 15.00 H new ATOM 0 HD3 PRO B 224 -0.621 -6.649 -6.802 1.00 15.00 H new ATOM 589 N PRO B 225 -4.518 -6.546 -3.127 1.00 15.00 N ATOM 590 CA PRO B 225 -5.840 -5.912 -3.157 1.00 15.00 C ATOM 591 C PRO B 225 -5.857 -4.736 -4.134 1.00 15.00 C ATOM 592 O PRO B 225 -4.866 -4.019 -4.261 1.00 15.00 O ATOM 593 CB PRO B 225 -6.007 -5.417 -1.716 1.00 15.00 C ATOM 594 CG PRO B 225 -5.219 -6.379 -0.897 1.00 15.00 C ATOM 595 CD PRO B 225 -4.049 -6.787 -1.747 1.00 15.00 C ATOM 0 HA PRO B 225 -6.634 -6.583 -3.484 1.00 15.00 H new ATOM 0 HB2 PRO B 225 -5.634 -4.399 -1.600 1.00 15.00 H new ATOM 0 HB3 PRO B 225 -7.056 -5.408 -1.418 1.00 15.00 H new ATOM 0 HG2 PRO B 225 -4.884 -5.917 0.032 1.00 15.00 H new ATOM 0 HG3 PRO B 225 -5.823 -7.244 -0.623 1.00 15.00 H new ATOM 0 HD2 PRO B 225 -3.162 -6.197 -1.517 1.00 15.00 H new ATOM 0 HD3 PRO B 225 -3.786 -7.833 -1.590 1.00 15.00 H new ATOM 603 N ALA B 226 -6.970 -4.567 -4.842 1.00 15.00 N ATOM 604 CA ALA B 226 -7.105 -3.522 -5.864 1.00 15.00 C ATOM 605 C ALA B 226 -6.843 -2.126 -5.298 1.00 15.00 C ATOM 606 O ALA B 226 -6.559 -1.968 -4.111 1.00 15.00 O ATOM 607 CB ALA B 226 -8.492 -3.581 -6.487 1.00 15.00 C ATOM 0 H ALA B 226 -7.803 -5.145 -4.728 1.00 15.00 H new ATOM 0 HA ALA B 226 -6.351 -3.711 -6.628 1.00 15.00 H new ATOM 0 HB1 ALA B 226 -8.584 -2.802 -7.244 1.00 15.00 H new ATOM 0 HB2 ALA B 226 -8.642 -4.557 -6.949 1.00 15.00 H new ATOM 0 HB3 ALA B 226 -9.245 -3.426 -5.714 1.00 15.00 H new ATOM 613 N TYR B 227 -6.941 -1.104 -6.141 1.00 15.00 N ATOM 614 CA TYR B 227 -6.746 0.256 -5.672 1.00 15.00 C ATOM 615 C TYR B 227 -7.917 0.637 -4.779 1.00 15.00 C ATOM 616 O TYR B 227 -9.087 0.546 -5.156 1.00 15.00 O ATOM 617 CB TYR B 227 -6.549 1.232 -6.840 1.00 15.00 C ATOM 618 CG TYR B 227 -6.757 2.679 -6.462 1.00 15.00 C ATOM 619 CD1 TYR B 227 -6.005 3.264 -5.454 1.00 15.00 C ATOM 620 CD2 TYR B 227 -7.709 3.455 -7.110 1.00 15.00 C ATOM 621 CE1 TYR B 227 -6.193 4.580 -5.099 1.00 15.00 C ATOM 622 CE2 TYR B 227 -7.904 4.777 -6.762 1.00 15.00 C ATOM 623 CZ TYR B 227 -7.144 5.336 -5.756 1.00 15.00 C ATOM 624 OH TYR B 227 -7.337 6.652 -5.411 1.00 15.00 O ATOM 0 H TYR B 227 -7.151 -1.191 -7.135 1.00 15.00 H new ATOM 0 HA TYR B 227 -5.830 0.316 -5.085 1.00 15.00 H new ATOM 0 HB2 TYR B 227 -5.541 1.111 -7.238 1.00 15.00 H new ATOM 0 HB3 TYR B 227 -7.241 0.971 -7.641 1.00 15.00 H new ATOM 0 HD1 TYR B 227 -5.259 2.677 -4.939 1.00 15.00 H new ATOM 0 HD2 TYR B 227 -8.305 3.018 -7.897 1.00 15.00 H new ATOM 0 HE1 TYR B 227 -5.600 5.020 -4.311 1.00 15.00 H new ATOM 0 HE2 TYR B 227 -8.647 5.370 -7.275 1.00 15.00 H new ATOM 0 HH TYR B 227 -8.042 7.037 -5.972 1.00 15.00 H new ATOM 634 N LEU B 228 -7.553 1.084 -3.599 1.00 15.00 N ATOM 635 CA LEU B 228 -8.385 1.005 -2.422 1.00 15.00 C ATOM 636 C LEU B 228 -8.141 2.186 -1.499 1.00 15.00 C ATOM 637 O LEU B 228 -7.066 2.784 -1.525 1.00 15.00 O ATOM 638 CB LEU B 228 -8.126 -0.295 -1.656 1.00 15.00 C ATOM 639 CG LEU B 228 -8.868 -1.526 -2.181 1.00 15.00 C ATOM 640 CD1 LEU B 228 -8.483 -2.758 -1.380 1.00 15.00 C ATOM 641 CD2 LEU B 228 -10.374 -1.309 -2.126 1.00 15.00 C ATOM 0 H LEU B 228 -6.648 1.523 -3.428 1.00 15.00 H new ATOM 0 HA LEU B 228 -9.422 1.024 -2.757 1.00 15.00 H new ATOM 0 HB2 LEU B 228 -7.056 -0.501 -1.676 1.00 15.00 H new ATOM 0 HB3 LEU B 228 -8.402 -0.143 -0.613 1.00 15.00 H new ATOM 0 HG LEU B 228 -8.580 -1.682 -3.221 1.00 15.00 H new ATOM 0 HD11 LEU B 228 -9.019 -3.625 -1.766 1.00 15.00 H new ATOM 0 HD12 LEU B 228 -7.410 -2.927 -1.466 1.00 15.00 H new ATOM 0 HD13 LEU B 228 -8.743 -2.607 -0.332 1.00 15.00 H new ATOM 0 HD21 LEU B 228 -10.883 -2.196 -2.504 1.00 15.00 H new ATOM 0 HD22 LEU B 228 -10.678 -1.127 -1.095 1.00 15.00 H new ATOM 0 HD23 LEU B 228 -10.640 -0.449 -2.740 1.00 15.00 H new ATOM 653 N PRO B 229 -9.142 2.585 -0.715 1.00 15.00 N ATOM 654 CA PRO B 229 -8.891 3.444 0.420 1.00 15.00 C ATOM 655 C PRO B 229 -8.573 2.533 1.593 1.00 15.00 C ATOM 656 O PRO B 229 -9.092 1.414 1.670 1.00 15.00 O ATOM 657 CB PRO B 229 -10.221 4.173 0.638 1.00 15.00 C ATOM 658 CG PRO B 229 -11.250 3.448 -0.174 1.00 15.00 C ATOM 659 CD PRO B 229 -10.574 2.299 -0.880 1.00 15.00 C ATOM 0 HA PRO B 229 -8.071 4.151 0.293 1.00 15.00 H new ATOM 0 HB2 PRO B 229 -10.492 4.175 1.694 1.00 15.00 H new ATOM 0 HB3 PRO B 229 -10.146 5.215 0.326 1.00 15.00 H new ATOM 0 HG2 PRO B 229 -12.051 3.081 0.468 1.00 15.00 H new ATOM 0 HG3 PRO B 229 -11.706 4.123 -0.898 1.00 15.00 H new ATOM 0 HD2 PRO B 229 -10.845 1.341 -0.436 1.00 15.00 H new ATOM 0 HD3 PRO B 229 -10.855 2.254 -1.932 1.00 15.00 H new ATOM 667 N PRO B 230 -7.754 2.976 2.551 1.00 15.00 N ATOM 668 CA PRO B 230 -6.863 2.071 3.253 1.00 15.00 C ATOM 669 C PRO B 230 -7.505 1.444 4.464 1.00 15.00 C ATOM 670 O PRO B 230 -8.344 2.039 5.143 1.00 15.00 O ATOM 671 CB PRO B 230 -5.704 2.992 3.683 1.00 15.00 C ATOM 672 CG PRO B 230 -6.102 4.389 3.298 1.00 15.00 C ATOM 673 CD PRO B 230 -7.577 4.352 3.003 1.00 15.00 C ATOM 0 HA PRO B 230 -6.562 1.230 2.628 1.00 15.00 H new ATOM 0 HB2 PRO B 230 -5.530 2.920 4.757 1.00 15.00 H new ATOM 0 HB3 PRO B 230 -4.776 2.703 3.190 1.00 15.00 H new ATOM 0 HG2 PRO B 230 -5.886 5.089 4.105 1.00 15.00 H new ATOM 0 HG3 PRO B 230 -5.541 4.725 2.426 1.00 15.00 H new ATOM 0 HD2 PRO B 230 -8.177 4.573 3.886 1.00 15.00 H new ATOM 0 HD3 PRO B 230 -7.859 5.074 2.237 1.00 15.00 H new ATOM 681 N GLU B 231 -7.056 0.233 4.730 1.00 15.00 N ATOM 682 CA GLU B 231 -7.842 -0.726 5.488 1.00 15.00 C ATOM 683 C GLU B 231 -7.777 -0.449 6.980 1.00 15.00 C ATOM 684 O GLU B 231 -6.777 0.055 7.498 1.00 15.00 O ATOM 685 CB GLU B 231 -7.413 -2.153 5.138 1.00 15.00 C ATOM 686 CG GLU B 231 -5.961 -2.415 5.348 1.00 15.00 C ATOM 687 CD GLU B 231 -5.662 -3.894 5.484 1.00 15.00 C ATOM 688 OE1 GLU B 231 -5.822 -4.431 6.599 1.00 15.00 O1- ATOM 689 OE2 GLU B 231 -5.300 -4.530 4.475 1.00 15.00 O ATOM 0 H GLU B 231 -6.145 -0.114 4.431 1.00 15.00 H new ATOM 0 HA GLU B 231 -8.889 -0.617 5.207 1.00 15.00 H new ATOM 0 HB2 GLU B 231 -7.990 -2.854 5.742 1.00 15.00 H new ATOM 0 HB3 GLU B 231 -7.661 -2.351 4.095 1.00 15.00 H new ATOM 0 HG2 GLU B 231 -5.395 -2.007 4.511 1.00 15.00 H new ATOM 0 HG3 GLU B 231 -5.625 -1.894 6.244 1.00 15.00 H new ATOM 696 N ASP B 232 -8.860 -0.811 7.648 1.00 15.00 N ATOM 697 CA ASP B 232 -9.160 -0.341 8.999 1.00 15.00 C ATOM 698 C ASP B 232 -8.152 -0.801 10.061 1.00 15.00 C ATOM 699 O ASP B 232 -7.604 0.037 10.780 1.00 15.00 O ATOM 700 CB ASP B 232 -10.574 -0.779 9.389 1.00 15.00 C ATOM 701 CG ASP B 232 -11.117 -0.010 10.571 1.00 15.00 C ATOM 702 OD1 ASP B 232 -11.729 1.058 10.349 1.00 15.00 O1- ATOM 703 OD2 ASP B 232 -10.965 -0.477 11.720 1.00 15.00 O ATOM 0 H ASP B 232 -9.564 -1.444 7.269 1.00 15.00 H new ATOM 0 HA ASP B 232 -9.086 0.746 8.972 1.00 15.00 H new ATOM 0 HB2 ASP B 232 -11.240 -0.645 8.536 1.00 15.00 H new ATOM 0 HB3 ASP B 232 -10.568 -1.843 9.625 1.00 15.00 H new ATOM 708 N PRO B 233 -7.899 -2.120 10.208 1.00 15.00 N ATOM 709 CA PRO B 233 -7.059 -2.637 11.288 1.00 15.00 C ATOM 710 C PRO B 233 -5.568 -2.481 11.000 1.00 15.00 C ATOM 711 O PRO B 233 -5.029 -1.374 11.216 1.00 15.00 O ATOM 712 CB PRO B 233 -7.435 -4.129 11.365 1.00 15.00 C ATOM 713 CG PRO B 233 -8.503 -4.344 10.337 1.00 15.00 C ATOM 714 CD PRO B 233 -8.381 -3.214 9.358 1.00 15.00 C ATOM 715 OXT PRO B 233 -4.933 -3.472 10.589 1.00 15.00 O ATOM 0 HA PRO B 233 -7.227 -2.093 12.218 1.00 15.00 H new ATOM 0 HB2 PRO B 233 -6.569 -4.760 11.164 1.00 15.00 H new ATOM 0 HB3 PRO B 233 -7.795 -4.389 12.361 1.00 15.00 H new ATOM 0 HG2 PRO B 233 -8.375 -5.305 9.839 1.00 15.00 H new ATOM 0 HG3 PRO B 233 -9.490 -4.353 10.799 1.00 15.00 H new ATOM 0 HD2 PRO B 233 -7.681 -3.445 8.555 1.00 15.00 H new ATOM 0 HD3 PRO B 233 -9.336 -2.976 8.890 1.00 15.00 H new