USER MOD reduce.3.24.130724 H: found=0, std=0, add=344, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 348 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 :FLIP no HE2:sc= -0.303 F(o=-3!,f=-1.9) USER MOD Set 1.2: B 227 TYR OH : rot 180:sc= -1.62! USER MOD Set 2.1: A 238 GLN : amide:sc= -1.22 K(o=-1.2,f=-4.8!) USER MOD Set 2.2: A 248 TYR OH : rot 150:sc= 0 USER MOD Single : A 240 MET CE :methyl -154:sc= -0.997 (180deg=-1.89!) USER MOD Single : A 241 THR OG1 : rot 71:sc= 1.21 USER MOD Single : A 242 GLN : amide:sc= -0.0341 X(o=-0.034,f=0) USER MOD Single : A 247 TYR OH : rot 80:sc= -2.49! USER MOD Single : A 250 ASN : amide:sc= 0.304 K(o=0.3,f=-11!) USER MOD Single : A 252 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 253 ASN :FLIP amide:sc= 0 F(o=-2.4!,f=0) USER MOD Single : A 254 LYS NZ :NH3+ -109:sc= 0.264 (180deg=-0.143) USER MOD Single : A 255 THR OG1 : rot 180:sc= -0.532 USER MOD Single : A 256 THR OG1 : rot -135:sc= 0.00251 USER MOD Single : A 257 SER OG : rot 180:sc= 0 USER MOD Single : B 222 THR OG1 : rot -19:sc= 0.339 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 230 5.607 3.063 9.033 1.00 15.00 N ATOM 2 CA GLY A 230 6.675 3.382 8.055 1.00 15.00 C ATOM 3 C GLY A 230 6.604 4.824 7.604 1.00 15.00 C ATOM 4 O GLY A 230 5.608 5.500 7.864 1.00 15.00 O ATOM 0 HA2 GLY A 230 7.649 3.188 8.503 1.00 15.00 H new ATOM 0 HA3 GLY A 230 6.585 2.725 7.190 1.00 15.00 H new ATOM 8 N PRO A 231 7.645 5.331 6.925 1.00 15.00 N ATOM 9 CA PRO A 231 7.711 6.691 6.439 1.00 15.00 C ATOM 10 C PRO A 231 7.450 6.731 4.940 1.00 15.00 C ATOM 11 O PRO A 231 8.341 6.419 4.145 1.00 15.00 O ATOM 12 CB PRO A 231 9.174 7.054 6.745 1.00 15.00 C ATOM 13 CG PRO A 231 9.898 5.728 6.874 1.00 15.00 C ATOM 14 CD PRO A 231 8.882 4.653 6.559 1.00 15.00 C ATOM 0 HA PRO A 231 6.981 7.366 6.886 1.00 15.00 H new ATOM 0 HB2 PRO A 231 9.604 7.660 5.948 1.00 15.00 H new ATOM 0 HB3 PRO A 231 9.251 7.635 7.664 1.00 15.00 H new ATOM 0 HG2 PRO A 231 10.742 5.678 6.186 1.00 15.00 H new ATOM 0 HG3 PRO A 231 10.299 5.601 7.880 1.00 15.00 H new ATOM 0 HD2 PRO A 231 8.899 4.363 5.508 1.00 15.00 H new ATOM 0 HD3 PRO A 231 9.045 3.747 7.142 1.00 15.00 H new ATOM 22 N LEU A 232 6.234 7.053 4.533 1.00 15.00 N ATOM 23 CA LEU A 232 5.888 6.854 3.137 1.00 15.00 C ATOM 24 C LEU A 232 6.297 8.049 2.308 1.00 15.00 C ATOM 25 O LEU A 232 6.471 9.147 2.836 1.00 15.00 O ATOM 26 CB LEU A 232 4.403 6.541 2.886 1.00 15.00 C ATOM 27 CG LEU A 232 3.769 5.401 3.706 1.00 15.00 C ATOM 28 CD1 LEU A 232 4.772 4.607 4.533 1.00 15.00 C ATOM 29 CD2 LEU A 232 2.679 5.931 4.605 1.00 15.00 C ATOM 0 H LEU A 232 5.496 7.438 5.122 1.00 15.00 H new ATOM 0 HA LEU A 232 6.446 5.969 2.832 1.00 15.00 H new ATOM 0 HB2 LEU A 232 3.831 7.450 3.074 1.00 15.00 H new ATOM 0 HB3 LEU A 232 4.283 6.302 1.829 1.00 15.00 H new ATOM 0 HG LEU A 232 3.349 4.712 2.973 1.00 15.00 H new ATOM 0 HD11 LEU A 232 4.251 3.823 5.082 1.00 15.00 H new ATOM 0 HD12 LEU A 232 5.513 4.157 3.872 1.00 15.00 H new ATOM 0 HD13 LEU A 232 5.271 5.273 5.237 1.00 15.00 H new ATOM 0 HD21 LEU A 232 2.245 5.109 5.175 1.00 15.00 H new ATOM 0 HD22 LEU A 232 3.099 6.666 5.291 1.00 15.00 H new ATOM 0 HD23 LEU A 232 1.904 6.401 3.999 1.00 15.00 H new ATOM 41 N PRO A 233 6.421 7.857 0.988 1.00 15.00 N ATOM 42 CA PRO A 233 6.933 8.892 0.092 1.00 15.00 C ATOM 43 C PRO A 233 6.033 10.124 0.074 1.00 15.00 C ATOM 44 O PRO A 233 6.454 11.225 0.422 1.00 15.00 O ATOM 45 CB PRO A 233 6.914 8.197 -1.268 1.00 15.00 C ATOM 46 CG PRO A 233 6.920 6.732 -0.957 1.00 15.00 C ATOM 47 CD PRO A 233 6.037 6.638 0.240 1.00 15.00 C ATOM 0 HA PRO A 233 7.915 9.259 0.390 1.00 15.00 H new ATOM 0 HB2 PRO A 233 6.029 8.475 -1.841 1.00 15.00 H new ATOM 0 HB3 PRO A 233 7.781 8.477 -1.866 1.00 15.00 H new ATOM 0 HG2 PRO A 233 6.536 6.142 -1.789 1.00 15.00 H new ATOM 0 HG3 PRO A 233 7.926 6.369 -0.746 1.00 15.00 H new ATOM 0 HD2 PRO A 233 4.981 6.638 -0.029 1.00 15.00 H new ATOM 0 HD3 PRO A 233 6.220 5.730 0.814 1.00 15.00 H new ATOM 55 N ASP A 234 4.785 9.910 -0.310 1.00 15.00 N ATOM 56 CA ASP A 234 3.797 10.978 -0.385 1.00 15.00 C ATOM 57 C ASP A 234 2.947 10.987 0.875 1.00 15.00 C ATOM 58 O ASP A 234 2.153 11.900 1.105 1.00 15.00 O ATOM 59 CB ASP A 234 2.890 10.789 -1.603 1.00 15.00 C ATOM 60 CG ASP A 234 3.662 10.540 -2.882 1.00 15.00 C ATOM 61 OD1 ASP A 234 3.941 9.360 -3.190 1.00 15.00 O1- ATOM 62 OD2 ASP A 234 3.986 11.516 -3.587 1.00 15.00 O ATOM 0 H ASP A 234 4.427 8.993 -0.578 1.00 15.00 H new ATOM 0 HA ASP A 234 4.325 11.927 -0.479 1.00 15.00 H new ATOM 0 HB2 ASP A 234 2.217 9.951 -1.422 1.00 15.00 H new ATOM 0 HB3 ASP A 234 2.268 11.675 -1.727 1.00 15.00 H new ATOM 67 N GLY A 235 3.107 9.946 1.676 1.00 15.00 N ATOM 68 CA GLY A 235 2.235 9.741 2.813 1.00 15.00 C ATOM 69 C GLY A 235 1.037 8.901 2.427 1.00 15.00 C ATOM 70 O GLY A 235 -0.110 9.334 2.545 1.00 15.00 O ATOM 0 H GLY A 235 3.829 9.235 1.558 1.00 15.00 H new ATOM 0 HA2 GLY A 235 2.786 9.250 3.615 1.00 15.00 H new ATOM 0 HA3 GLY A 235 1.900 10.704 3.199 1.00 15.00 H new ATOM 74 N TRP A 236 1.315 7.696 1.949 1.00 15.00 N ATOM 75 CA TRP A 236 0.277 6.800 1.475 1.00 15.00 C ATOM 76 C TRP A 236 0.392 5.443 2.123 1.00 15.00 C ATOM 77 O TRP A 236 1.485 4.943 2.293 1.00 15.00 O ATOM 78 CB TRP A 236 0.311 6.687 -0.028 1.00 15.00 C ATOM 79 CG TRP A 236 1.636 6.438 -0.698 1.00 15.00 C ATOM 80 CD1 TRP A 236 2.731 7.266 -0.808 1.00 15.00 C ATOM 81 CD2 TRP A 236 1.967 5.269 -1.450 1.00 15.00 C ATOM 82 NE1 TRP A 236 3.609 6.727 -1.683 1.00 15.00 N ATOM 83 CE2 TRP A 236 3.196 5.492 -2.053 1.00 15.00 C ATOM 84 CE3 TRP A 236 1.336 4.065 -1.700 1.00 15.00 C ATOM 85 CZ2 TRP A 236 3.798 4.562 -2.889 1.00 15.00 C ATOM 86 CZ3 TRP A 236 1.964 3.156 -2.532 1.00 15.00 C ATOM 87 CH2 TRP A 236 3.166 3.401 -3.107 1.00 15.00 C ATOM 0 H TRP A 236 2.259 7.317 1.880 1.00 15.00 H new ATOM 0 HA TRP A 236 -0.687 7.223 1.760 1.00 15.00 H new ATOM 0 HB2 TRP A 236 -0.363 5.880 -0.315 1.00 15.00 H new ATOM 0 HB3 TRP A 236 -0.101 7.608 -0.440 1.00 15.00 H new ATOM 0 HD1 TRP A 236 2.867 8.198 -0.279 1.00 15.00 H new ATOM 0 HE1 TRP A 236 4.458 7.184 -2.016 1.00 15.00 H new ATOM 0 HE3 TRP A 236 0.377 3.840 -1.257 1.00 15.00 H new ATOM 0 HZ2 TRP A 236 4.752 4.769 -3.352 1.00 15.00 H new ATOM 0 HZ3 TRP A 236 1.477 2.213 -2.731 1.00 15.00 H new ATOM 0 HH2 TRP A 236 3.618 2.656 -3.745 1.00 15.00 H new ATOM 98 N GLU A 237 -0.717 4.751 2.292 1.00 15.00 N ATOM 99 CA GLU A 237 -0.873 3.922 3.469 1.00 15.00 C ATOM 100 C GLU A 237 -0.340 2.532 3.279 1.00 15.00 C ATOM 101 O GLU A 237 -0.593 1.833 2.294 1.00 15.00 O ATOM 102 CB GLU A 237 -2.347 3.875 3.874 1.00 15.00 C ATOM 103 CG GLU A 237 -2.702 2.927 5.019 1.00 15.00 C ATOM 104 CD GLU A 237 -2.054 3.334 6.332 1.00 15.00 C ATOM 105 OE1 GLU A 237 -0.832 3.145 6.490 1.00 15.00 O ATOM 106 OE2 GLU A 237 -2.771 3.864 7.207 1.00 15.00 O1- ATOM 0 H GLU A 237 -1.506 4.745 1.646 1.00 15.00 H new ATOM 0 HA GLU A 237 -0.282 4.376 4.265 1.00 15.00 H new ATOM 0 HB2 GLU A 237 -2.658 4.882 4.154 1.00 15.00 H new ATOM 0 HB3 GLU A 237 -2.934 3.592 3.000 1.00 15.00 H new ATOM 0 HG2 GLU A 237 -3.785 2.902 5.144 1.00 15.00 H new ATOM 0 HG3 GLU A 237 -2.388 1.916 4.760 1.00 15.00 H new ATOM 113 N GLN A 238 0.389 2.187 4.311 1.00 15.00 N ATOM 114 CA GLN A 238 1.155 0.971 4.415 1.00 15.00 C ATOM 115 C GLN A 238 0.490 0.088 5.454 1.00 15.00 C ATOM 116 O GLN A 238 0.542 0.362 6.656 1.00 15.00 O ATOM 117 CB GLN A 238 2.606 1.295 4.804 1.00 15.00 C ATOM 118 CG GLN A 238 3.401 0.099 5.277 1.00 15.00 C ATOM 119 CD GLN A 238 4.588 0.486 6.136 1.00 15.00 C ATOM 120 OE1 GLN A 238 4.574 1.512 6.811 1.00 15.00 O ATOM 121 NE2 GLN A 238 5.618 -0.346 6.133 1.00 15.00 N ATOM 0 H GLN A 238 0.468 2.775 5.141 1.00 15.00 H new ATOM 0 HA GLN A 238 1.183 0.449 3.459 1.00 15.00 H new ATOM 0 HB2 GLN A 238 3.111 1.737 3.945 1.00 15.00 H new ATOM 0 HB3 GLN A 238 2.600 2.048 5.592 1.00 15.00 H new ATOM 0 HG2 GLN A 238 2.748 -0.564 5.845 1.00 15.00 H new ATOM 0 HG3 GLN A 238 3.752 -0.463 4.412 1.00 15.00 H new ATOM 0 HE21 GLN A 238 5.591 -1.188 5.558 1.00 15.00 H new ATOM 0 HE22 GLN A 238 6.438 -0.145 6.705 1.00 15.00 H new ATOM 130 N ALA A 239 -0.160 -0.949 4.985 1.00 15.00 N ATOM 131 CA ALA A 239 -1.070 -1.704 5.815 1.00 15.00 C ATOM 132 C ALA A 239 -0.817 -3.195 5.722 1.00 15.00 C ATOM 133 O ALA A 239 -0.354 -3.693 4.693 1.00 15.00 O ATOM 134 CB ALA A 239 -2.498 -1.373 5.443 1.00 15.00 C ATOM 0 H ALA A 239 -0.076 -1.292 4.028 1.00 15.00 H new ATOM 0 HA ALA A 239 -0.897 -1.419 6.853 1.00 15.00 H new ATOM 0 HB1 ALA A 239 -3.180 -1.945 6.072 1.00 15.00 H new ATOM 0 HB2 ALA A 239 -2.675 -0.308 5.591 1.00 15.00 H new ATOM 0 HB3 ALA A 239 -2.670 -1.627 4.397 1.00 15.00 H new ATOM 140 N MET A 240 -1.118 -3.900 6.801 1.00 15.00 N ATOM 141 CA MET A 240 -0.894 -5.332 6.862 1.00 15.00 C ATOM 142 C MET A 240 -2.133 -6.048 6.350 1.00 15.00 C ATOM 143 O MET A 240 -3.160 -6.118 7.028 1.00 15.00 O ATOM 144 CB MET A 240 -0.606 -5.781 8.299 1.00 15.00 C ATOM 145 CG MET A 240 0.647 -5.179 8.915 1.00 15.00 C ATOM 146 SD MET A 240 2.166 -5.850 8.213 1.00 15.00 S ATOM 147 CE MET A 240 3.390 -5.033 9.236 1.00 15.00 C ATOM 0 H MET A 240 -1.520 -3.500 7.649 1.00 15.00 H new ATOM 0 HA MET A 240 -0.030 -5.579 6.245 1.00 15.00 H new ATOM 0 HB2 MET A 240 -1.461 -5.523 8.924 1.00 15.00 H new ATOM 0 HB3 MET A 240 -0.516 -6.867 8.314 1.00 15.00 H new ATOM 0 HG2 MET A 240 0.633 -4.099 8.772 1.00 15.00 H new ATOM 0 HG3 MET A 240 0.639 -5.358 9.990 1.00 15.00 H new ATOM 0 HE1 MET A 240 4.328 -4.953 8.687 1.00 15.00 H new ATOM 0 HE2 MET A 240 3.037 -4.036 9.499 1.00 15.00 H new ATOM 0 HE3 MET A 240 3.550 -5.613 10.145 1.00 15.00 H new ATOM 157 N THR A 241 -2.026 -6.562 5.139 1.00 15.00 N ATOM 158 CA THR A 241 -3.156 -7.159 4.459 1.00 15.00 C ATOM 159 C THR A 241 -3.237 -8.642 4.787 1.00 15.00 C ATOM 160 O THR A 241 -2.214 -9.279 5.053 1.00 15.00 O ATOM 161 CB THR A 241 -3.091 -6.942 2.930 1.00 15.00 C ATOM 162 OG1 THR A 241 -4.379 -7.181 2.356 1.00 15.00 O ATOM 163 CG2 THR A 241 -2.065 -7.853 2.268 1.00 15.00 C ATOM 0 H THR A 241 -1.158 -6.577 4.603 1.00 15.00 H new ATOM 0 HA THR A 241 -4.059 -6.663 4.816 1.00 15.00 H new ATOM 0 HB THR A 241 -2.784 -5.911 2.755 1.00 15.00 H new ATOM 0 HG1 THR A 241 -4.992 -6.462 2.616 1.00 15.00 H new ATOM 0 HG21 THR A 241 -2.053 -7.667 1.194 1.00 15.00 H new ATOM 0 HG22 THR A 241 -1.077 -7.651 2.683 1.00 15.00 H new ATOM 0 HG23 THR A 241 -2.330 -8.894 2.453 1.00 15.00 H new ATOM 171 N GLN A 242 -4.457 -9.173 4.773 1.00 15.00 N ATOM 172 CA GLN A 242 -4.750 -10.517 5.281 1.00 15.00 C ATOM 173 C GLN A 242 -3.959 -11.589 4.540 1.00 15.00 C ATOM 174 O GLN A 242 -3.712 -12.671 5.069 1.00 15.00 O ATOM 175 CB GLN A 242 -6.234 -10.812 5.115 1.00 15.00 C ATOM 176 CG GLN A 242 -7.151 -9.716 5.642 1.00 15.00 C ATOM 177 CD GLN A 242 -6.946 -9.424 7.116 1.00 15.00 C ATOM 178 OE1 GLN A 242 -7.585 -10.024 7.976 1.00 15.00 O ATOM 179 NE2 GLN A 242 -6.071 -8.478 7.415 1.00 15.00 N ATOM 0 H GLN A 242 -5.275 -8.684 4.409 1.00 15.00 H new ATOM 0 HA GLN A 242 -4.464 -10.539 6.333 1.00 15.00 H new ATOM 0 HB2 GLN A 242 -6.446 -10.970 4.057 1.00 15.00 H new ATOM 0 HB3 GLN A 242 -6.467 -11.744 5.629 1.00 15.00 H new ATOM 0 HG2 GLN A 242 -6.982 -8.803 5.070 1.00 15.00 H new ATOM 0 HG3 GLN A 242 -8.188 -10.008 5.477 1.00 15.00 H new ATOM 0 HE21 GLN A 242 -5.560 -8.003 6.671 1.00 15.00 H new ATOM 0 HE22 GLN A 242 -5.908 -8.224 8.389 1.00 15.00 H new ATOM 188 N ASP A 243 -3.602 -11.292 3.302 1.00 15.00 N ATOM 189 CA ASP A 243 -2.755 -12.178 2.497 1.00 15.00 C ATOM 190 C ASP A 243 -1.373 -12.348 3.132 1.00 15.00 C ATOM 191 O ASP A 243 -0.618 -13.261 2.803 1.00 15.00 O ATOM 192 CB ASP A 243 -2.589 -11.601 1.103 1.00 15.00 C ATOM 193 CG ASP A 243 -1.901 -12.564 0.154 1.00 15.00 C ATOM 194 OD1 ASP A 243 -2.432 -13.678 -0.052 1.00 15.00 O ATOM 195 OD2 ASP A 243 -0.842 -12.214 -0.398 1.00 15.00 O1- ATOM 0 H ASP A 243 -3.885 -10.437 2.822 1.00 15.00 H new ATOM 0 HA ASP A 243 -3.240 -13.153 2.446 1.00 15.00 H new ATOM 0 HB2 ASP A 243 -3.568 -11.339 0.703 1.00 15.00 H new ATOM 0 HB3 ASP A 243 -2.011 -10.679 1.161 1.00 15.00 H new ATOM 200 N GLY A 244 -1.063 -11.447 4.037 1.00 15.00 N ATOM 201 CA GLY A 244 0.198 -11.481 4.747 1.00 15.00 C ATOM 202 C GLY A 244 1.271 -10.691 4.038 1.00 15.00 C ATOM 203 O GLY A 244 2.368 -11.189 3.796 1.00 15.00 O ATOM 0 H GLY A 244 -1.673 -10.674 4.301 1.00 15.00 H new ATOM 0 HA2 GLY A 244 0.059 -11.082 5.752 1.00 15.00 H new ATOM 0 HA3 GLY A 244 0.523 -12.515 4.857 1.00 15.00 H new ATOM 207 N GLU A 245 0.937 -9.445 3.717 1.00 15.00 N ATOM 208 CA GLU A 245 1.868 -8.515 3.080 1.00 15.00 C ATOM 209 C GLU A 245 1.631 -7.111 3.597 1.00 15.00 C ATOM 210 O GLU A 245 0.500 -6.744 3.920 1.00 15.00 O ATOM 211 CB GLU A 245 1.702 -8.516 1.557 1.00 15.00 C ATOM 212 CG GLU A 245 2.298 -9.736 0.866 1.00 15.00 C ATOM 213 CD GLU A 245 3.814 -9.744 0.882 1.00 15.00 C ATOM 214 OE1 GLU A 245 4.407 -10.035 1.947 1.00 15.00 O ATOM 215 OE2 GLU A 245 4.423 -9.466 -0.166 1.00 15.00 O1- ATOM 0 H GLU A 245 0.013 -9.050 3.891 1.00 15.00 H new ATOM 0 HA GLU A 245 2.879 -8.840 3.324 1.00 15.00 H new ATOM 0 HB2 GLU A 245 0.640 -8.459 1.318 1.00 15.00 H new ATOM 0 HB3 GLU A 245 2.168 -7.618 1.151 1.00 15.00 H new ATOM 0 HG2 GLU A 245 1.930 -10.639 1.354 1.00 15.00 H new ATOM 0 HG3 GLU A 245 1.951 -9.768 -0.167 1.00 15.00 H new ATOM 222 N ILE A 246 2.688 -6.326 3.656 1.00 15.00 N ATOM 223 CA ILE A 246 2.574 -4.938 4.054 1.00 15.00 C ATOM 224 C ILE A 246 2.551 -4.041 2.807 1.00 15.00 C ATOM 225 O ILE A 246 3.591 -3.676 2.262 1.00 15.00 O ATOM 226 CB ILE A 246 3.714 -4.545 5.029 1.00 15.00 C ATOM 227 CG1 ILE A 246 3.595 -3.080 5.425 1.00 15.00 C ATOM 228 CG2 ILE A 246 5.089 -4.848 4.451 1.00 15.00 C ATOM 229 CD1 ILE A 246 2.549 -2.832 6.491 1.00 15.00 C ATOM 0 H ILE A 246 3.637 -6.627 3.433 1.00 15.00 H new ATOM 0 HA ILE A 246 1.636 -4.796 4.591 1.00 15.00 H new ATOM 0 HB ILE A 246 3.606 -5.156 5.925 1.00 15.00 H new ATOM 0 HG12 ILE A 246 4.562 -2.728 5.785 1.00 15.00 H new ATOM 0 HG13 ILE A 246 3.350 -2.490 4.541 1.00 15.00 H new ATOM 0 HG21 ILE A 246 5.857 -4.557 5.167 1.00 15.00 H new ATOM 0 HG22 ILE A 246 5.170 -5.915 4.246 1.00 15.00 H new ATOM 0 HG23 ILE A 246 5.226 -4.289 3.525 1.00 15.00 H new ATOM 0 HD11 ILE A 246 2.515 -1.768 6.727 1.00 15.00 H new ATOM 0 HD12 ILE A 246 1.574 -3.154 6.126 1.00 15.00 H new ATOM 0 HD13 ILE A 246 2.804 -3.395 7.389 1.00 15.00 H new ATOM 241 N TYR A 247 1.344 -3.706 2.359 1.00 15.00 N ATOM 242 CA TYR A 247 1.137 -3.066 1.055 1.00 15.00 C ATOM 243 C TYR A 247 1.152 -1.533 1.155 1.00 15.00 C ATOM 244 O TYR A 247 0.803 -0.961 2.188 1.00 15.00 O ATOM 245 CB TYR A 247 -0.184 -3.554 0.408 1.00 15.00 C ATOM 246 CG TYR A 247 -1.437 -2.923 0.989 1.00 15.00 C ATOM 247 CD1 TYR A 247 -1.687 -1.570 0.817 1.00 15.00 C ATOM 248 CD2 TYR A 247 -2.352 -3.670 1.720 1.00 15.00 C ATOM 249 CE1 TYR A 247 -2.786 -0.968 1.355 1.00 15.00 C ATOM 250 CE2 TYR A 247 -3.480 -3.074 2.267 1.00 15.00 C ATOM 251 CZ TYR A 247 -3.686 -1.716 2.083 1.00 15.00 C ATOM 252 OH TYR A 247 -4.791 -1.109 2.627 1.00 15.00 O ATOM 0 H TYR A 247 0.484 -3.868 2.883 1.00 15.00 H new ATOM 0 HA TYR A 247 1.971 -3.359 0.417 1.00 15.00 H new ATOM 0 HB2 TYR A 247 -0.149 -3.346 -0.661 1.00 15.00 H new ATOM 0 HB3 TYR A 247 -0.251 -4.636 0.520 1.00 15.00 H new ATOM 0 HD1 TYR A 247 -0.992 -0.977 0.241 1.00 15.00 H new ATOM 0 HD2 TYR A 247 -2.184 -4.727 1.864 1.00 15.00 H new ATOM 0 HE1 TYR A 247 -2.950 0.090 1.211 1.00 15.00 H new ATOM 0 HE2 TYR A 247 -4.189 -3.662 2.830 1.00 15.00 H new ATOM 0 HH TYR A 247 -5.476 -0.997 1.936 1.00 15.00 H new ATOM 262 N TYR A 248 1.578 -0.899 0.072 1.00 15.00 N ATOM 263 CA TYR A 248 1.494 0.551 -0.118 1.00 15.00 C ATOM 264 C TYR A 248 0.454 0.904 -1.189 1.00 15.00 C ATOM 265 O TYR A 248 0.587 0.502 -2.344 1.00 15.00 O ATOM 266 CB TYR A 248 2.863 1.072 -0.494 1.00 15.00 C ATOM 267 CG TYR A 248 3.785 1.189 0.692 1.00 15.00 C ATOM 268 CD1 TYR A 248 4.454 0.074 1.186 1.00 15.00 C ATOM 269 CD2 TYR A 248 4.022 2.421 1.298 1.00 15.00 C ATOM 270 CE1 TYR A 248 5.321 0.181 2.251 1.00 15.00 C ATOM 271 CE2 TYR A 248 4.897 2.528 2.349 1.00 15.00 C ATOM 272 CZ TYR A 248 5.545 1.412 2.824 1.00 15.00 C ATOM 273 OH TYR A 248 6.429 1.529 3.872 1.00 15.00 O ATOM 0 H TYR A 248 2.002 -1.384 -0.719 1.00 15.00 H new ATOM 0 HA TYR A 248 1.171 1.023 0.810 1.00 15.00 H new ATOM 0 HB2 TYR A 248 3.310 0.407 -1.233 1.00 15.00 H new ATOM 0 HB3 TYR A 248 2.759 2.049 -0.966 1.00 15.00 H new ATOM 0 HD1 TYR A 248 4.291 -0.890 0.728 1.00 15.00 H new ATOM 0 HD2 TYR A 248 3.511 3.301 0.936 1.00 15.00 H new ATOM 0 HE1 TYR A 248 5.822 -0.696 2.634 1.00 15.00 H new ATOM 0 HE2 TYR A 248 5.077 3.491 2.804 1.00 15.00 H new ATOM 0 HH TYR A 248 6.839 2.419 3.856 1.00 15.00 H new ATOM 283 N ILE A 249 -0.596 1.642 -0.804 1.00 15.00 N ATOM 284 CA ILE A 249 -1.556 2.176 -1.786 1.00 15.00 C ATOM 285 C ILE A 249 -1.706 3.684 -1.650 1.00 15.00 C ATOM 286 O ILE A 249 -1.838 4.223 -0.545 1.00 15.00 O ATOM 287 CB ILE A 249 -2.963 1.542 -1.706 1.00 15.00 C ATOM 288 CG1 ILE A 249 -3.591 1.732 -0.326 1.00 15.00 C ATOM 289 CG2 ILE A 249 -2.915 0.075 -2.086 1.00 15.00 C ATOM 290 CD1 ILE A 249 -4.911 1.012 -0.173 1.00 15.00 C ATOM 0 H ILE A 249 -0.803 1.882 0.166 1.00 15.00 H new ATOM 0 HA ILE A 249 -1.128 1.914 -2.754 1.00 15.00 H new ATOM 0 HB ILE A 249 -3.598 2.060 -2.425 1.00 15.00 H new ATOM 0 HG12 ILE A 249 -2.898 1.374 0.435 1.00 15.00 H new ATOM 0 HG13 ILE A 249 -3.741 2.796 -0.145 1.00 15.00 H new ATOM 0 HG21 ILE A 249 -3.917 -0.350 -2.022 1.00 15.00 H new ATOM 0 HG22 ILE A 249 -2.542 -0.025 -3.105 1.00 15.00 H new ATOM 0 HG23 ILE A 249 -2.251 -0.456 -1.404 1.00 15.00 H new ATOM 0 HD11 ILE A 249 -5.306 1.185 0.828 1.00 15.00 H new ATOM 0 HD12 ILE A 249 -5.618 1.388 -0.913 1.00 15.00 H new ATOM 0 HD13 ILE A 249 -4.762 -0.057 -0.324 1.00 15.00 H new ATOM 302 N ASN A 250 -1.679 4.364 -2.783 1.00 15.00 N ATOM 303 CA ASN A 250 -1.747 5.816 -2.806 1.00 15.00 C ATOM 304 C ASN A 250 -2.949 6.269 -3.613 1.00 15.00 C ATOM 305 O ASN A 250 -3.176 5.775 -4.715 1.00 15.00 O ATOM 306 CB ASN A 250 -0.475 6.391 -3.432 1.00 15.00 C ATOM 307 CG ASN A 250 -0.291 7.874 -3.149 1.00 15.00 C ATOM 308 OD1 ASN A 250 -1.244 8.587 -2.855 1.00 15.00 O ATOM 309 ND2 ASN A 250 0.937 8.352 -3.257 1.00 15.00 N ATOM 0 H ASN A 250 -1.610 3.932 -3.704 1.00 15.00 H new ATOM 0 HA ASN A 250 -1.842 6.175 -1.781 1.00 15.00 H new ATOM 0 HB2 ASN A 250 0.389 5.845 -3.053 1.00 15.00 H new ATOM 0 HB3 ASN A 250 -0.504 6.233 -4.510 1.00 15.00 H new ATOM 0 HD21 ASN A 250 1.115 9.343 -3.094 1.00 15.00 H new ATOM 0 HD22 ASN A 250 1.707 7.730 -3.503 1.00 15.00 H new ATOM 316 N HIS A 251 -3.702 7.218 -3.069 1.00 15.00 N ATOM 317 CA HIS A 251 -4.833 7.810 -3.779 1.00 15.00 C ATOM 318 C HIS A 251 -4.354 8.890 -4.742 1.00 15.00 C ATOM 319 O HIS A 251 -5.043 9.245 -5.696 1.00 15.00 O ATOM 320 CB HIS A 251 -5.853 8.381 -2.791 1.00 15.00 C ATOM 321 CG HIS A 251 -6.675 7.333 -2.105 1.00 15.00 C ATOM 322 ND1 HIS A 251 -7.987 7.022 -2.229 1.00 15.00 N flip ATOM 323 CD2 HIS A 251 -6.162 6.451 -1.178 1.00 15.00 C flip ATOM 324 CE1 HIS A 251 -8.242 5.968 -1.386 1.00 15.00 C flip ATOM 325 NE2 HIS A 251 -7.120 5.645 -0.764 1.00 15.00 N flip ATOM 0 H HIS A 251 -3.550 7.596 -2.134 1.00 15.00 H new ATOM 0 HA HIS A 251 -5.322 7.027 -4.358 1.00 15.00 H new ATOM 0 HB2 HIS A 251 -5.328 8.969 -2.038 1.00 15.00 H new ATOM 0 HB3 HIS A 251 -6.518 9.063 -3.321 1.00 15.00 H new ATOM 0 HD1 HIS A 251 -8.662 7.485 -2.837 1.00 15.00 H new ATOM 0 HD2 HIS A 251 -5.136 6.424 -0.843 1.00 15.00 H new ATOM 0 HE1 HIS A 251 -9.198 5.484 -1.253 1.00 15.00 H new ATOM 334 N LYS A 252 -3.165 9.412 -4.482 1.00 15.00 N ATOM 335 CA LYS A 252 -2.537 10.388 -5.361 1.00 15.00 C ATOM 336 C LYS A 252 -1.774 9.661 -6.465 1.00 15.00 C ATOM 337 O LYS A 252 -1.385 10.250 -7.470 1.00 15.00 O ATOM 338 CB LYS A 252 -1.587 11.285 -4.554 1.00 15.00 C ATOM 339 CG LYS A 252 -0.938 12.424 -5.337 1.00 15.00 C ATOM 340 CD LYS A 252 -1.897 13.586 -5.583 1.00 15.00 C ATOM 341 CE LYS A 252 -2.873 13.305 -6.717 1.00 15.00 C ATOM 342 NZ LYS A 252 -3.844 14.415 -6.900 1.00 15.00 N1+ ATOM 0 H LYS A 252 -2.610 9.173 -3.660 1.00 15.00 H new ATOM 0 HA LYS A 252 -3.304 11.016 -5.814 1.00 15.00 H new ATOM 0 HB2 LYS A 252 -2.140 11.711 -3.717 1.00 15.00 H new ATOM 0 HB3 LYS A 252 -0.799 10.662 -4.131 1.00 15.00 H new ATOM 0 HG2 LYS A 252 -0.067 12.786 -4.791 1.00 15.00 H new ATOM 0 HG3 LYS A 252 -0.579 12.045 -6.294 1.00 15.00 H new ATOM 0 HD2 LYS A 252 -2.455 13.792 -4.670 1.00 15.00 H new ATOM 0 HD3 LYS A 252 -1.324 14.483 -5.815 1.00 15.00 H new ATOM 0 HE2 LYS A 252 -2.319 13.151 -7.643 1.00 15.00 H new ATOM 0 HE3 LYS A 252 -3.413 12.381 -6.511 1.00 15.00 H new ATOM 0 HZ1 LYS A 252 -4.491 14.185 -7.681 1.00 15.00 H new ATOM 0 HZ2 LYS A 252 -4.391 14.546 -6.025 1.00 15.00 H new ATOM 0 HZ3 LYS A 252 -3.331 15.292 -7.122 1.00 15.00 H new ATOM 356 N ASN A 253 -1.540 8.372 -6.253 1.00 15.00 N ATOM 357 CA ASN A 253 -0.848 7.546 -7.241 1.00 15.00 C ATOM 358 C ASN A 253 -1.820 6.576 -7.905 1.00 15.00 C ATOM 359 O ASN A 253 -1.525 6.015 -8.960 1.00 15.00 O ATOM 360 CB ASN A 253 0.324 6.776 -6.602 1.00 15.00 C ATOM 361 CG ASN A 253 1.576 7.626 -6.430 1.00 15.00 C ATOM 362 OD1 ASN A 253 1.409 8.937 -6.332 1.00 15.00 O flip ATOM 363 ND2 ASN A 253 2.690 7.104 -6.395 1.00 15.00 N flip ATOM 0 H ASN A 253 -1.818 7.874 -5.407 1.00 15.00 H new ATOM 0 HA ASN A 253 -0.441 8.210 -8.003 1.00 15.00 H new ATOM 0 HB2 ASN A 253 0.013 6.397 -5.629 1.00 15.00 H new ATOM 0 HB3 ASN A 253 0.562 5.911 -7.220 1.00 15.00 H new ATOM 0 HD21 ASN A 253 2.781 6.091 -6.473 1.00 15.00 H new ATOM 0 HD22 ASN A 253 3.522 7.684 -6.288 1.00 15.00 H new ATOM 370 N LYS A 254 -2.973 6.375 -7.258 1.00 15.00 N ATOM 371 CA LYS A 254 -4.036 5.504 -7.766 1.00 15.00 C ATOM 372 C LYS A 254 -3.502 4.091 -8.038 1.00 15.00 C ATOM 373 O LYS A 254 -3.991 3.375 -8.912 1.00 15.00 O ATOM 374 CB LYS A 254 -4.661 6.132 -9.022 1.00 15.00 C ATOM 375 CG LYS A 254 -5.906 5.417 -9.528 1.00 15.00 C ATOM 376 CD LYS A 254 -6.861 6.375 -10.212 1.00 15.00 C ATOM 377 CE LYS A 254 -8.023 5.646 -10.874 1.00 15.00 C ATOM 378 NZ LYS A 254 -8.717 4.699 -9.959 1.00 15.00 N1+ ATOM 0 H LYS A 254 -3.195 6.814 -6.364 1.00 15.00 H new ATOM 0 HA LYS A 254 -4.815 5.408 -7.010 1.00 15.00 H new ATOM 0 HB2 LYS A 254 -4.915 7.170 -8.807 1.00 15.00 H new ATOM 0 HB3 LYS A 254 -3.915 6.144 -9.817 1.00 15.00 H new ATOM 0 HG2 LYS A 254 -5.617 4.631 -10.226 1.00 15.00 H new ATOM 0 HG3 LYS A 254 -6.412 4.932 -8.693 1.00 15.00 H new ATOM 0 HD2 LYS A 254 -7.248 7.085 -9.481 1.00 15.00 H new ATOM 0 HD3 LYS A 254 -6.320 6.952 -10.962 1.00 15.00 H new ATOM 0 HE2 LYS A 254 -8.741 6.379 -11.242 1.00 15.00 H new ATOM 0 HE3 LYS A 254 -7.654 5.099 -11.741 1.00 15.00 H new ATOM 0 HZ1 LYS A 254 -8.505 3.722 -10.245 1.00 15.00 H new ATOM 0 HZ2 LYS A 254 -8.388 4.854 -8.985 1.00 15.00 H new ATOM 0 HZ3 LYS A 254 -9.744 4.859 -10.008 1.00 15.00 H new ATOM 392 N THR A 255 -2.542 3.663 -7.230 1.00 15.00 N ATOM 393 CA THR A 255 -1.909 2.371 -7.452 1.00 15.00 C ATOM 394 C THR A 255 -1.566 1.638 -6.196 1.00 15.00 C ATOM 395 O THR A 255 -1.326 2.213 -5.126 1.00 15.00 O ATOM 396 CB THR A 255 -0.657 2.380 -8.346 1.00 15.00 C ATOM 397 OG1 THR A 255 -0.007 1.100 -8.333 1.00 15.00 O ATOM 398 CG2 THR A 255 0.344 3.451 -7.929 1.00 15.00 C ATOM 0 H THR A 255 -2.189 4.183 -6.426 1.00 15.00 H new ATOM 0 HA THR A 255 -2.701 1.847 -7.988 1.00 15.00 H new ATOM 0 HB THR A 255 -1.002 2.607 -9.355 1.00 15.00 H new ATOM 0 HG1 THR A 255 0.785 1.129 -8.910 1.00 15.00 H new ATOM 0 HG21 THR A 255 1.210 3.417 -8.590 1.00 15.00 H new ATOM 0 HG22 THR A 255 -0.125 4.433 -7.995 1.00 15.00 H new ATOM 0 HG23 THR A 255 0.664 3.270 -6.903 1.00 15.00 H new ATOM 406 N THR A 256 -1.584 0.353 -6.379 1.00 15.00 N ATOM 407 CA THR A 256 -1.276 -0.600 -5.337 1.00 15.00 C ATOM 408 C THR A 256 0.095 -1.223 -5.585 1.00 15.00 C ATOM 409 O THR A 256 0.299 -1.928 -6.577 1.00 15.00 O ATOM 410 CB THR A 256 -2.322 -1.719 -5.268 1.00 15.00 C ATOM 411 OG1 THR A 256 -3.637 -1.157 -5.149 1.00 15.00 O ATOM 412 CG2 THR A 256 -2.037 -2.630 -4.084 1.00 15.00 C ATOM 0 H THR A 256 -1.817 -0.079 -7.273 1.00 15.00 H new ATOM 0 HA THR A 256 -1.279 -0.060 -4.390 1.00 15.00 H new ATOM 0 HB THR A 256 -2.269 -2.306 -6.185 1.00 15.00 H new ATOM 0 HG1 THR A 256 -4.139 -1.641 -4.461 1.00 15.00 H new ATOM 0 HG21 THR A 256 -2.786 -3.421 -4.045 1.00 15.00 H new ATOM 0 HG22 THR A 256 -1.047 -3.073 -4.196 1.00 15.00 H new ATOM 0 HG23 THR A 256 -2.073 -2.050 -3.162 1.00 15.00 H new ATOM 420 N SER A 257 1.027 -0.948 -4.694 1.00 15.00 N ATOM 421 CA SER A 257 2.369 -1.492 -4.784 1.00 15.00 C ATOM 422 C SER A 257 2.642 -2.324 -3.529 1.00 15.00 C ATOM 423 O SER A 257 2.269 -1.916 -2.433 1.00 15.00 O ATOM 424 CB SER A 257 3.375 -0.337 -4.916 1.00 15.00 C ATOM 425 OG SER A 257 4.674 -0.809 -5.252 1.00 15.00 O ATOM 0 H SER A 257 0.876 -0.342 -3.888 1.00 15.00 H new ATOM 0 HA SER A 257 2.470 -2.133 -5.660 1.00 15.00 H new ATOM 0 HB2 SER A 257 3.031 0.360 -5.681 1.00 15.00 H new ATOM 0 HB3 SER A 257 3.420 0.216 -3.978 1.00 15.00 H new ATOM 0 HG SER A 257 5.288 -0.049 -5.330 1.00 15.00 H new ATOM 431 N TRP A 258 3.275 -3.485 -3.682 1.00 15.00 N ATOM 432 CA TRP A 258 3.503 -4.385 -2.545 1.00 15.00 C ATOM 433 C TRP A 258 4.331 -3.732 -1.444 1.00 15.00 C ATOM 434 O TRP A 258 3.826 -3.383 -0.386 1.00 15.00 O ATOM 435 CB TRP A 258 4.259 -5.646 -2.979 1.00 15.00 C ATOM 436 CG TRP A 258 3.432 -6.707 -3.631 1.00 15.00 C ATOM 437 CD1 TRP A 258 3.624 -7.234 -4.870 1.00 15.00 C ATOM 438 CD2 TRP A 258 2.301 -7.385 -3.079 1.00 15.00 C ATOM 439 NE1 TRP A 258 2.700 -8.211 -5.118 1.00 15.00 N ATOM 440 CE2 TRP A 258 1.872 -8.319 -4.040 1.00 15.00 C ATOM 441 CE3 TRP A 258 1.608 -7.299 -1.871 1.00 15.00 C ATOM 442 CZ2 TRP A 258 0.790 -9.159 -3.830 1.00 15.00 C ATOM 443 CZ3 TRP A 258 0.521 -8.129 -1.671 1.00 15.00 C ATOM 444 CH2 TRP A 258 0.127 -9.051 -2.650 1.00 15.00 C ATOM 0 H TRP A 258 3.638 -3.826 -4.572 1.00 15.00 H new ATOM 0 HA TRP A 258 2.511 -4.632 -2.167 1.00 15.00 H new ATOM 0 HB2 TRP A 258 5.050 -5.353 -3.669 1.00 15.00 H new ATOM 0 HB3 TRP A 258 4.743 -6.076 -2.102 1.00 15.00 H new ATOM 0 HD1 TRP A 258 4.396 -6.925 -5.559 1.00 15.00 H new ATOM 0 HE1 TRP A 258 2.640 -8.768 -5.970 1.00 15.00 H new ATOM 0 HE3 TRP A 258 1.915 -6.599 -1.108 1.00 15.00 H new ATOM 0 HZ2 TRP A 258 0.485 -9.875 -4.579 1.00 15.00 H new ATOM 0 HZ3 TRP A 258 -0.033 -8.066 -0.746 1.00 15.00 H new ATOM 0 HH2 TRP A 258 -0.723 -9.690 -2.462 1.00 15.00 H new ATOM 455 N LEU A 259 5.595 -3.528 -1.748 1.00 15.00 N ATOM 456 CA LEU A 259 6.610 -3.246 -0.746 1.00 15.00 C ATOM 457 C LEU A 259 7.149 -1.829 -0.811 1.00 15.00 C ATOM 458 O LEU A 259 7.005 -1.142 -1.825 1.00 15.00 O ATOM 459 CB LEU A 259 7.729 -4.266 -0.758 1.00 15.00 C ATOM 460 CG LEU A 259 7.620 -5.309 0.356 1.00 15.00 C ATOM 461 CD1 LEU A 259 8.961 -5.992 0.528 1.00 15.00 C ATOM 462 CD2 LEU A 259 7.182 -4.654 1.667 1.00 15.00 C ATOM 0 H LEU A 259 5.953 -3.553 -2.703 1.00 15.00 H new ATOM 0 HA LEU A 259 6.097 -3.332 0.212 1.00 15.00 H new ATOM 0 HB2 LEU A 259 7.735 -4.775 -1.722 1.00 15.00 H new ATOM 0 HB3 LEU A 259 8.683 -3.747 -0.666 1.00 15.00 H new ATOM 0 HG LEU A 259 6.867 -6.049 0.084 1.00 15.00 H new ATOM 0 HD11 LEU A 259 8.891 -6.737 1.321 1.00 15.00 H new ATOM 0 HD12 LEU A 259 9.243 -6.480 -0.405 1.00 15.00 H new ATOM 0 HD13 LEU A 259 9.715 -5.251 0.792 1.00 15.00 H new ATOM 0 HD21 LEU A 259 7.110 -5.412 2.447 1.00 15.00 H new ATOM 0 HD22 LEU A 259 7.914 -3.901 1.960 1.00 15.00 H new ATOM 0 HD23 LEU A 259 6.209 -4.181 1.530 1.00 15.00 H new ATOM 474 N ASP A 260 7.781 -1.408 0.290 1.00 15.00 N ATOM 475 CA ASP A 260 7.954 -0.010 0.629 1.00 15.00 C ATOM 476 C ASP A 260 8.706 0.754 -0.445 1.00 15.00 C ATOM 477 O ASP A 260 9.807 0.403 -0.864 1.00 15.00 O ATOM 478 CB ASP A 260 8.700 0.110 1.969 1.00 15.00 C ATOM 479 CG ASP A 260 10.105 -0.456 1.938 1.00 15.00 C ATOM 480 OD1 ASP A 260 10.261 -1.661 1.643 1.00 15.00 O1- ATOM 481 OD2 ASP A 260 11.052 0.300 2.229 1.00 15.00 O ATOM 0 H ASP A 260 8.189 -2.046 0.974 1.00 15.00 H new ATOM 0 HA ASP A 260 6.961 0.432 0.710 1.00 15.00 H new ATOM 0 HB2 ASP A 260 8.748 1.161 2.255 1.00 15.00 H new ATOM 0 HB3 ASP A 260 8.128 -0.405 2.741 1.00 15.00 H new ATOM 486 N PRO A 261 8.064 1.837 -0.894 1.00 15.00 N ATOM 487 CA PRO A 261 8.500 2.659 -2.001 1.00 15.00 C ATOM 488 C PRO A 261 9.507 3.655 -1.617 1.00 15.00 C ATOM 489 O PRO A 261 10.133 4.399 -2.371 1.00 15.00 O ATOM 490 CB PRO A 261 7.201 3.220 -2.558 1.00 15.00 C ATOM 491 CG PRO A 261 6.381 3.433 -1.317 1.00 15.00 C ATOM 492 CD PRO A 261 6.796 2.348 -0.351 1.00 15.00 C ATOM 0 HA PRO A 261 9.043 2.104 -2.766 1.00 15.00 H new ATOM 0 HB2 PRO A 261 7.361 4.150 -3.103 1.00 15.00 H new ATOM 0 HB3 PRO A 261 6.721 2.525 -3.247 1.00 15.00 H new ATOM 0 HG2 PRO A 261 6.562 4.421 -0.895 1.00 15.00 H new ATOM 0 HG3 PRO A 261 5.315 3.371 -1.538 1.00 15.00 H new ATOM 0 HD2 PRO A 261 6.926 2.742 0.657 1.00 15.00 H new ATOM 0 HD3 PRO A 261 6.044 1.561 -0.291 1.00 15.00 H new ATOM 500 N ARG A 262 9.558 3.595 -0.412 1.00 15.00 N ATOM 501 CA ARG A 262 10.284 4.522 0.444 1.00 15.00 C ATOM 502 C ARG A 262 11.747 4.113 0.527 1.00 15.00 C ATOM 503 O ARG A 262 12.585 4.856 1.043 1.00 15.00 O ATOM 504 CB ARG A 262 9.668 4.578 1.845 1.00 15.00 C ATOM 505 CG ARG A 262 9.778 3.275 2.617 1.00 15.00 C ATOM 506 CD ARG A 262 10.633 3.429 3.867 1.00 15.00 C ATOM 507 NE ARG A 262 11.974 3.932 3.572 1.00 15.00 N ATOM 508 CZ ARG A 262 13.089 3.443 4.110 1.00 15.00 C ATOM 509 NH1 ARG A 262 13.027 2.423 4.954 1.00 15.00 N1+ ATOM 510 NH2 ARG A 262 14.266 3.970 3.797 1.00 15.00 N ATOM 0 H ARG A 262 9.079 2.865 0.115 1.00 15.00 H new ATOM 0 HA ARG A 262 10.214 5.518 0.007 1.00 15.00 H new ATOM 0 HB2 ARG A 262 10.156 5.369 2.415 1.00 15.00 H new ATOM 0 HB3 ARG A 262 8.616 4.850 1.758 1.00 15.00 H new ATOM 0 HG2 ARG A 262 8.782 2.934 2.898 1.00 15.00 H new ATOM 0 HG3 ARG A 262 10.209 2.507 1.974 1.00 15.00 H new ATOM 0 HD2 ARG A 262 10.138 4.109 4.560 1.00 15.00 H new ATOM 0 HD3 ARG A 262 10.713 2.465 4.369 1.00 15.00 H new ATOM 0 HE ARG A 262 12.060 4.706 2.913 1.00 15.00 H new ATOM 0 HH11 ARG A 262 12.124 2.012 5.192 1.00 15.00 H new ATOM 0 HH12 ARG A 262 13.882 2.049 5.366 1.00 15.00 H new ATOM 0 HH21 ARG A 262 14.317 4.751 3.143 1.00 15.00 H new ATOM 0 HH22 ARG A 262 15.119 3.594 4.210 1.00 15.00 H new ATOM 524 N LEU A 263 12.038 2.924 0.029 1.00 15.00 N ATOM 525 CA LEU A 263 13.374 2.367 0.085 1.00 15.00 C ATOM 526 C LEU A 263 14.202 2.871 -1.093 1.00 15.00 C ATOM 527 O LEU A 263 15.241 3.524 -0.857 1.00 15.00 O ATOM 528 CB LEU A 263 13.293 0.838 0.076 1.00 15.00 C ATOM 529 CG LEU A 263 14.610 0.111 0.362 1.00 15.00 C ATOM 530 CD1 LEU A 263 15.148 0.491 1.734 1.00 15.00 C ATOM 531 CD2 LEU A 263 14.415 -1.394 0.268 1.00 15.00 C ATOM 532 OXT LEU A 263 13.782 2.655 -2.248 1.00 15.00 O ATOM 0 H LEU A 263 11.354 2.319 -0.425 1.00 15.00 H new ATOM 0 HA LEU A 263 13.862 2.687 1.006 1.00 15.00 H new ATOM 0 HB2 LEU A 263 12.556 0.525 0.816 1.00 15.00 H new ATOM 0 HB3 LEU A 263 12.923 0.516 -0.898 1.00 15.00 H new ATOM 0 HG LEU A 263 15.340 0.416 -0.388 1.00 15.00 H new ATOM 0 HD11 LEU A 263 16.084 -0.037 1.917 1.00 15.00 H new ATOM 0 HD12 LEU A 263 15.324 1.566 1.771 1.00 15.00 H new ATOM 0 HD13 LEU A 263 14.421 0.216 2.499 1.00 15.00 H new ATOM 0 HD21 LEU A 263 15.360 -1.897 0.474 1.00 15.00 H new ATOM 0 HD22 LEU A 263 13.669 -1.710 0.997 1.00 15.00 H new ATOM 0 HD23 LEU A 263 14.076 -1.655 -0.734 1.00 15.00 H new TER 544 LEU A 263 ATOM 545 N THR B 222 2.044 -12.920 -7.194 1.00 15.00 N ATOM 546 CA THR B 222 0.592 -12.659 -7.205 1.00 15.00 C ATOM 547 C THR B 222 0.328 -11.160 -7.083 1.00 15.00 C ATOM 548 O THR B 222 1.231 -10.404 -6.724 1.00 15.00 O ATOM 549 CB THR B 222 -0.100 -13.412 -6.053 1.00 15.00 C ATOM 550 OG1 THR B 222 0.685 -13.298 -4.858 1.00 15.00 O ATOM 551 CG2 THR B 222 -0.295 -14.881 -6.402 1.00 15.00 C ATOM 0 HA THR B 222 0.182 -13.016 -8.150 1.00 15.00 H new ATOM 0 HB THR B 222 -1.080 -12.964 -5.891 1.00 15.00 H new ATOM 0 HG1 THR B 222 1.604 -13.049 -5.092 1.00 15.00 H new ATOM 0 HG21 THR B 222 -0.785 -15.390 -5.572 1.00 15.00 H new ATOM 0 HG22 THR B 222 -0.914 -14.964 -7.295 1.00 15.00 H new ATOM 0 HG23 THR B 222 0.675 -15.342 -6.589 1.00 15.00 H new ATOM 561 N PRO B 223 -0.887 -10.690 -7.421 1.00 15.00 N ATOM 562 CA PRO B 223 -1.255 -9.287 -7.257 1.00 15.00 C ATOM 563 C PRO B 223 -1.773 -9.004 -5.840 1.00 15.00 C ATOM 564 O PRO B 223 -2.269 -9.917 -5.179 1.00 15.00 O ATOM 565 CB PRO B 223 -2.380 -9.086 -8.289 1.00 15.00 C ATOM 566 CG PRO B 223 -2.654 -10.434 -8.891 1.00 15.00 C ATOM 567 CD PRO B 223 -1.990 -11.454 -8.008 1.00 15.00 C ATOM 0 HA PRO B 223 -0.408 -8.616 -7.403 1.00 15.00 H new ATOM 0 HB2 PRO B 223 -3.275 -8.685 -7.814 1.00 15.00 H new ATOM 0 HB3 PRO B 223 -2.079 -8.373 -9.056 1.00 15.00 H new ATOM 0 HG2 PRO B 223 -3.727 -10.618 -8.953 1.00 15.00 H new ATOM 0 HG3 PRO B 223 -2.262 -10.490 -9.907 1.00 15.00 H new ATOM 0 HD2 PRO B 223 -2.670 -11.837 -7.247 1.00 15.00 H new ATOM 0 HD3 PRO B 223 -1.632 -12.313 -8.576 1.00 15.00 H new ATOM 575 N PRO B 224 -1.710 -7.743 -5.350 1.00 15.00 N ATOM 576 CA PRO B 224 -2.204 -7.382 -4.033 1.00 15.00 C ATOM 577 C PRO B 224 -3.648 -6.898 -4.132 1.00 15.00 C ATOM 578 O PRO B 224 -4.220 -6.892 -5.227 1.00 15.00 O ATOM 579 CB PRO B 224 -1.254 -6.231 -3.621 1.00 15.00 C ATOM 580 CG PRO B 224 -0.641 -5.730 -4.900 1.00 15.00 C ATOM 581 CD PRO B 224 -1.246 -6.531 -6.024 1.00 15.00 C ATOM 0 HA PRO B 224 -2.212 -8.205 -3.318 1.00 15.00 H new ATOM 0 HB2 PRO B 224 -1.800 -5.437 -3.111 1.00 15.00 H new ATOM 0 HB3 PRO B 224 -0.487 -6.584 -2.932 1.00 15.00 H new ATOM 0 HG2 PRO B 224 -0.842 -4.667 -5.033 1.00 15.00 H new ATOM 0 HG3 PRO B 224 0.442 -5.850 -4.881 1.00 15.00 H new ATOM 0 HD2 PRO B 224 -2.066 -5.997 -6.505 1.00 15.00 H new ATOM 0 HD3 PRO B 224 -0.514 -6.755 -6.800 1.00 15.00 H new ATOM 589 N PRO B 225 -4.278 -6.517 -3.008 1.00 15.00 N ATOM 590 CA PRO B 225 -5.584 -5.859 -3.048 1.00 15.00 C ATOM 591 C PRO B 225 -5.580 -4.708 -4.051 1.00 15.00 C ATOM 592 O PRO B 225 -4.626 -3.937 -4.104 1.00 15.00 O ATOM 593 CB PRO B 225 -5.753 -5.334 -1.623 1.00 15.00 C ATOM 594 CG PRO B 225 -4.959 -6.272 -0.782 1.00 15.00 C ATOM 595 CD PRO B 225 -3.794 -6.710 -1.628 1.00 15.00 C ATOM 0 HA PRO B 225 -6.390 -6.524 -3.359 1.00 15.00 H new ATOM 0 HB2 PRO B 225 -5.387 -4.312 -1.531 1.00 15.00 H new ATOM 0 HB3 PRO B 225 -6.802 -5.325 -1.325 1.00 15.00 H new ATOM 0 HG2 PRO B 225 -4.616 -5.783 0.130 1.00 15.00 H new ATOM 0 HG3 PRO B 225 -5.562 -7.127 -0.477 1.00 15.00 H new ATOM 0 HD2 PRO B 225 -2.905 -6.112 -1.427 1.00 15.00 H new ATOM 0 HD3 PRO B 225 -3.528 -7.750 -1.438 1.00 15.00 H new ATOM 603 N ALA B 226 -6.637 -4.608 -4.850 1.00 15.00 N ATOM 604 CA ALA B 226 -6.734 -3.580 -5.889 1.00 15.00 C ATOM 605 C ALA B 226 -6.648 -2.173 -5.295 1.00 15.00 C ATOM 606 O ALA B 226 -6.509 -2.009 -4.084 1.00 15.00 O ATOM 607 CB ALA B 226 -8.025 -3.750 -6.676 1.00 15.00 C ATOM 0 H ALA B 226 -7.445 -5.229 -4.800 1.00 15.00 H new ATOM 0 HA ALA B 226 -5.888 -3.704 -6.565 1.00 15.00 H new ATOM 0 HB1 ALA B 226 -8.086 -2.980 -7.445 1.00 15.00 H new ATOM 0 HB2 ALA B 226 -8.038 -4.734 -7.145 1.00 15.00 H new ATOM 0 HB3 ALA B 226 -8.877 -3.658 -6.002 1.00 15.00 H new ATOM 613 N TYR B 227 -6.729 -1.150 -6.137 1.00 15.00 N ATOM 614 CA TYR B 227 -6.665 0.211 -5.635 1.00 15.00 C ATOM 615 C TYR B 227 -7.939 0.514 -4.853 1.00 15.00 C ATOM 616 O TYR B 227 -9.056 0.504 -5.376 1.00 15.00 O ATOM 617 CB TYR B 227 -6.402 1.215 -6.765 1.00 15.00 C ATOM 618 CG TYR B 227 -6.615 2.653 -6.363 1.00 15.00 C ATOM 619 CD1 TYR B 227 -5.980 3.181 -5.249 1.00 15.00 C ATOM 620 CD2 TYR B 227 -7.449 3.479 -7.099 1.00 15.00 C ATOM 621 CE1 TYR B 227 -6.171 4.494 -4.879 1.00 15.00 C ATOM 622 CE2 TYR B 227 -7.646 4.795 -6.739 1.00 15.00 C ATOM 623 CZ TYR B 227 -7.006 5.298 -5.629 1.00 15.00 C ATOM 624 OH TYR B 227 -7.199 6.610 -5.270 1.00 15.00 O ATOM 0 H TYR B 227 -6.837 -1.235 -7.148 1.00 15.00 H new ATOM 0 HA TYR B 227 -5.819 0.312 -4.955 1.00 15.00 H new ATOM 0 HB2 TYR B 227 -5.377 1.093 -7.115 1.00 15.00 H new ATOM 0 HB3 TYR B 227 -7.056 0.982 -7.605 1.00 15.00 H new ATOM 0 HD1 TYR B 227 -5.326 2.553 -4.663 1.00 15.00 H new ATOM 0 HD2 TYR B 227 -7.953 3.085 -7.969 1.00 15.00 H new ATOM 0 HE1 TYR B 227 -5.671 4.892 -4.008 1.00 15.00 H new ATOM 0 HE2 TYR B 227 -8.298 5.427 -7.324 1.00 15.00 H new ATOM 0 HH TYR B 227 -7.814 7.035 -5.903 1.00 15.00 H new ATOM 634 N LEU B 228 -7.713 0.775 -3.582 1.00 15.00 N ATOM 635 CA LEU B 228 -8.683 0.614 -2.520 1.00 15.00 C ATOM 636 C LEU B 228 -8.393 1.630 -1.429 1.00 15.00 C ATOM 637 O LEU B 228 -7.261 2.083 -1.325 1.00 15.00 O ATOM 638 CB LEU B 228 -8.642 -0.808 -1.941 1.00 15.00 C ATOM 639 CG LEU B 228 -9.275 -1.895 -2.818 1.00 15.00 C ATOM 640 CD1 LEU B 228 -9.141 -3.258 -2.156 1.00 15.00 C ATOM 641 CD2 LEU B 228 -10.738 -1.580 -3.091 1.00 15.00 C ATOM 0 H LEU B 228 -6.813 1.119 -3.248 1.00 15.00 H new ATOM 0 HA LEU B 228 -9.681 0.778 -2.926 1.00 15.00 H new ATOM 0 HB2 LEU B 228 -7.602 -1.076 -1.754 1.00 15.00 H new ATOM 0 HB3 LEU B 228 -9.148 -0.804 -0.976 1.00 15.00 H new ATOM 0 HG LEU B 228 -8.745 -1.918 -3.770 1.00 15.00 H new ATOM 0 HD11 LEU B 228 -9.596 -4.018 -2.792 1.00 15.00 H new ATOM 0 HD12 LEU B 228 -8.086 -3.490 -2.011 1.00 15.00 H new ATOM 0 HD13 LEU B 228 -9.645 -3.244 -1.190 1.00 15.00 H new ATOM 0 HD21 LEU B 228 -11.169 -2.363 -3.715 1.00 15.00 H new ATOM 0 HD22 LEU B 228 -11.281 -1.528 -2.147 1.00 15.00 H new ATOM 0 HD23 LEU B 228 -10.814 -0.623 -3.607 1.00 15.00 H new ATOM 653 N PRO B 229 -9.375 2.083 -0.638 1.00 15.00 N ATOM 654 CA PRO B 229 -9.051 2.943 0.482 1.00 15.00 C ATOM 655 C PRO B 229 -8.741 2.048 1.678 1.00 15.00 C ATOM 656 O PRO B 229 -9.297 0.953 1.808 1.00 15.00 O ATOM 657 CB PRO B 229 -10.347 3.737 0.721 1.00 15.00 C ATOM 658 CG PRO B 229 -11.370 3.181 -0.226 1.00 15.00 C ATOM 659 CD PRO B 229 -10.824 1.884 -0.763 1.00 15.00 C ATOM 0 HA PRO B 229 -8.197 3.600 0.318 1.00 15.00 H new ATOM 0 HB2 PRO B 229 -10.679 3.635 1.754 1.00 15.00 H new ATOM 0 HB3 PRO B 229 -10.189 4.800 0.541 1.00 15.00 H new ATOM 0 HG2 PRO B 229 -12.318 3.016 0.286 1.00 15.00 H new ATOM 0 HG3 PRO B 229 -11.563 3.882 -1.038 1.00 15.00 H new ATOM 0 HD2 PRO B 229 -11.169 1.027 -0.185 1.00 15.00 H new ATOM 0 HD3 PRO B 229 -11.124 1.713 -1.797 1.00 15.00 H new ATOM 667 N PRO B 230 -7.871 2.510 2.582 1.00 15.00 N ATOM 668 CA PRO B 230 -6.897 1.648 3.245 1.00 15.00 C ATOM 669 C PRO B 230 -7.379 0.991 4.523 1.00 15.00 C ATOM 670 O PRO B 230 -8.196 1.532 5.271 1.00 15.00 O ATOM 671 CB PRO B 230 -5.752 2.619 3.568 1.00 15.00 C ATOM 672 CG PRO B 230 -6.237 3.993 3.205 1.00 15.00 C ATOM 673 CD PRO B 230 -7.724 3.892 3.017 1.00 15.00 C ATOM 0 HA PRO B 230 -6.641 0.804 2.604 1.00 15.00 H new ATOM 0 HB2 PRO B 230 -5.488 2.568 4.624 1.00 15.00 H new ATOM 0 HB3 PRO B 230 -4.856 2.363 3.003 1.00 15.00 H new ATOM 0 HG2 PRO B 230 -5.994 4.709 3.990 1.00 15.00 H new ATOM 0 HG3 PRO B 230 -5.755 4.345 2.293 1.00 15.00 H new ATOM 0 HD2 PRO B 230 -8.268 4.091 3.940 1.00 15.00 H new ATOM 0 HD3 PRO B 230 -8.092 4.597 2.272 1.00 15.00 H new ATOM 681 N GLU B 231 -6.808 -0.184 4.762 1.00 15.00 N ATOM 682 CA GLU B 231 -7.299 -1.108 5.776 1.00 15.00 C ATOM 683 C GLU B 231 -6.454 -1.051 7.035 1.00 15.00 C ATOM 684 O GLU B 231 -5.250 -0.800 6.987 1.00 15.00 O ATOM 685 CB GLU B 231 -7.375 -2.545 5.242 1.00 15.00 C ATOM 686 CG GLU B 231 -6.228 -2.978 4.374 1.00 15.00 C ATOM 687 CD GLU B 231 -6.433 -4.376 3.825 1.00 15.00 C ATOM 688 OE1 GLU B 231 -7.591 -4.727 3.511 1.00 15.00 O ATOM 689 OE2 GLU B 231 -5.447 -5.130 3.715 1.00 15.00 O1- ATOM 0 H GLU B 231 -5.990 -0.523 4.256 1.00 15.00 H new ATOM 0 HA GLU B 231 -8.310 -0.791 6.032 1.00 15.00 H new ATOM 0 HB2 GLU B 231 -7.442 -3.226 6.091 1.00 15.00 H new ATOM 0 HB3 GLU B 231 -8.298 -2.653 4.673 1.00 15.00 H new ATOM 0 HG2 GLU B 231 -6.113 -2.276 3.548 1.00 15.00 H new ATOM 0 HG3 GLU B 231 -5.304 -2.946 4.951 1.00 15.00 H new ATOM 696 N ASP B 232 -7.099 -1.326 8.152 1.00 15.00 N ATOM 697 CA ASP B 232 -6.499 -1.102 9.463 1.00 15.00 C ATOM 698 C ASP B 232 -6.287 -2.405 10.246 1.00 15.00 C ATOM 699 O ASP B 232 -5.180 -2.648 10.729 1.00 15.00 O ATOM 700 CB ASP B 232 -7.359 -0.127 10.276 1.00 15.00 C ATOM 701 CG ASP B 232 -6.779 0.173 11.642 1.00 15.00 C ATOM 702 OD1 ASP B 232 -5.861 1.012 11.730 1.00 15.00 O ATOM 703 OD2 ASP B 232 -7.258 -0.404 12.639 1.00 15.00 O1- ATOM 0 H ASP B 232 -8.045 -1.707 8.183 1.00 15.00 H new ATOM 0 HA ASP B 232 -5.513 -0.669 9.295 1.00 15.00 H new ATOM 0 HB2 ASP B 232 -7.467 0.804 9.720 1.00 15.00 H new ATOM 0 HB3 ASP B 232 -8.359 -0.545 10.395 1.00 15.00 H new ATOM 708 N PRO B 233 -7.333 -3.252 10.411 1.00 15.00 N ATOM 709 CA PRO B 233 -7.206 -4.509 11.162 1.00 15.00 C ATOM 710 C PRO B 233 -6.261 -5.505 10.487 1.00 15.00 C ATOM 711 O PRO B 233 -6.655 -6.114 9.472 1.00 15.00 O ATOM 712 CB PRO B 233 -8.636 -5.060 11.205 1.00 15.00 C ATOM 713 CG PRO B 233 -9.337 -4.412 10.064 1.00 15.00 C ATOM 714 CD PRO B 233 -8.708 -3.058 9.906 1.00 15.00 C ATOM 715 OXT PRO B 233 -5.130 -5.686 10.988 1.00 15.00 O ATOM 0 HA PRO B 233 -6.777 -4.343 12.150 1.00 15.00 H new ATOM 0 HB2 PRO B 233 -8.643 -6.146 11.106 1.00 15.00 H new ATOM 0 HB3 PRO B 233 -9.121 -4.823 12.152 1.00 15.00 H new ATOM 0 HG2 PRO B 233 -9.228 -5.001 9.154 1.00 15.00 H new ATOM 0 HG3 PRO B 233 -10.405 -4.325 10.261 1.00 15.00 H new ATOM 0 HD2 PRO B 233 -8.711 -2.734 8.865 1.00 15.00 H new ATOM 0 HD3 PRO B 233 -9.242 -2.299 10.478 1.00 15.00 H new TER 723 PRO B 233