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= -2.53! K(o=-3.6!,f=-2) USER MOD Set 1.2: B 227 TYR OH : rot 180:sc= -1.08 USER MOD Set 2.1: A 250 ASN : amide:sc= -1 K(o=-1.8,f=-12!) USER MOD Set 2.2: A 253 ASN : amide:sc= -0.834 X(o=-1.8,f=-1.4!) USER MOD Set 3.1: A 238 GLN : amide:sc= 0.413 K(o=1.6,f=-1.2) USER MOD Set 3.2: A 240 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 3.3: A 248 TYR OH : rot -81:sc= 1.19 USER MOD Single : A 241 THR OG1 : rot 180:sc= 0 USER MOD Single : A 242 GLN : amide:sc= -0.162 K(o=-0.16,f=-0.77) USER MOD Single : A 247 TYR OH : rot 80:sc= -3.34! USER MOD Single : A 252 LYS NZ :NH3+ 163:sc= -0.0721 (180deg=-0.326) USER MOD Single : A 254 LYS NZ :NH3+ -161:sc= -0.0895 (180deg=-0.428) USER MOD Single : A 255 THR OG1 : rot 180:sc= -0.446 USER MOD Single : A 256 THR OG1 : rot -130:sc= -0.0118 USER MOD Single : A 257 SER OG : rot -109:sc= 0.186 USER MOD Single : B 222 THR OG1 : rot 31:sc= 0.565 USER MOD ----------------------------------------------------------------- ATOM 8 N PRO A 231 7.915 5.704 6.895 1.00 15.00 N ATOM 9 CA PRO A 231 7.944 7.005 6.269 1.00 15.00 C ATOM 10 C PRO A 231 7.593 6.901 4.793 1.00 15.00 C ATOM 11 O PRO A 231 8.430 6.509 3.977 1.00 15.00 O ATOM 12 CB PRO A 231 9.423 7.387 6.453 1.00 15.00 C ATOM 13 CG PRO A 231 10.154 6.070 6.632 1.00 15.00 C ATOM 14 CD PRO A 231 9.114 4.983 6.485 1.00 15.00 C ATOM 0 HA PRO A 231 7.237 7.723 6.685 1.00 15.00 H new ATOM 0 HB2 PRO A 231 9.800 7.932 5.587 1.00 15.00 H new ATOM 0 HB3 PRO A 231 9.558 8.033 7.320 1.00 15.00 H new ATOM 0 HG2 PRO A 231 10.941 5.958 5.886 1.00 15.00 H new ATOM 0 HG3 PRO A 231 10.632 6.021 7.610 1.00 15.00 H new ATOM 0 HD2 PRO A 231 9.045 4.611 5.463 1.00 15.00 H new ATOM 0 HD3 PRO A 231 9.320 4.124 7.123 1.00 15.00 H new ATOM 22 N LEU A 232 6.351 7.183 4.431 1.00 15.00 N ATOM 23 CA LEU A 232 5.963 6.934 3.058 1.00 15.00 C ATOM 24 C LEU A 232 6.366 8.093 2.185 1.00 15.00 C ATOM 25 O LEU A 232 6.577 9.200 2.675 1.00 15.00 O ATOM 26 CB LEU A 232 4.471 6.630 2.841 1.00 15.00 C ATOM 27 CG LEU A 232 3.878 5.459 3.633 1.00 15.00 C ATOM 28 CD1 LEU A 232 4.932 4.674 4.403 1.00 15.00 C ATOM 29 CD2 LEU A 232 2.810 5.940 4.582 1.00 15.00 C ATOM 0 H LEU A 232 5.627 7.566 5.038 1.00 15.00 H new ATOM 0 HA LEU A 232 6.495 6.024 2.780 1.00 15.00 H new ATOM 0 HB2 LEU A 232 3.903 7.527 3.086 1.00 15.00 H new ATOM 0 HB3 LEU A 232 4.316 6.435 1.780 1.00 15.00 H new ATOM 0 HG LEU A 232 3.438 4.785 2.898 1.00 15.00 H new ATOM 0 HD11 LEU A 232 4.454 3.858 4.945 1.00 15.00 H new ATOM 0 HD12 LEU A 232 5.664 4.267 3.706 1.00 15.00 H new ATOM 0 HD13 LEU A 232 5.433 5.335 5.111 1.00 15.00 H new ATOM 0 HD21 LEU A 232 2.404 5.092 5.133 1.00 15.00 H new ATOM 0 HD22 LEU A 232 3.241 6.655 5.283 1.00 15.00 H new ATOM 0 HD23 LEU A 232 2.012 6.422 4.017 1.00 15.00 H new ATOM 41 N PRO A 233 6.454 7.860 0.874 1.00 15.00 N ATOM 42 CA PRO A 233 6.911 8.878 -0.063 1.00 15.00 C ATOM 43 C PRO A 233 5.998 10.101 -0.051 1.00 15.00 C ATOM 44 O PRO A 233 6.460 11.241 -0.001 1.00 15.00 O ATOM 45 CB PRO A 233 6.834 8.167 -1.410 1.00 15.00 C ATOM 46 CG PRO A 233 6.837 6.697 -1.093 1.00 15.00 C ATOM 47 CD PRO A 233 6.080 6.603 0.188 1.00 15.00 C ATOM 0 HA PRO A 233 7.906 9.254 0.177 1.00 15.00 H new ATOM 0 HB2 PRO A 233 5.931 8.449 -1.951 1.00 15.00 H new ATOM 0 HB3 PRO A 233 7.681 8.433 -2.043 1.00 15.00 H new ATOM 0 HG2 PRO A 233 6.359 6.117 -1.883 1.00 15.00 H new ATOM 0 HG3 PRO A 233 7.852 6.314 -0.986 1.00 15.00 H new ATOM 0 HD2 PRO A 233 5.005 6.537 0.020 1.00 15.00 H new ATOM 0 HD3 PRO A 233 6.367 5.724 0.766 1.00 15.00 H new ATOM 55 N ASP A 234 4.697 9.844 -0.102 1.00 15.00 N ATOM 56 CA ASP A 234 3.689 10.899 -0.037 1.00 15.00 C ATOM 57 C ASP A 234 2.942 10.835 1.288 1.00 15.00 C ATOM 58 O ASP A 234 2.165 11.729 1.626 1.00 15.00 O ATOM 59 CB ASP A 234 2.676 10.760 -1.179 1.00 15.00 C ATOM 60 CG ASP A 234 3.315 10.732 -2.550 1.00 15.00 C ATOM 61 OD1 ASP A 234 3.598 11.818 -3.098 1.00 15.00 O ATOM 62 OD2 ASP A 234 3.512 9.620 -3.094 1.00 15.00 O1- ATOM 0 H ASP A 234 4.311 8.904 -0.189 1.00 15.00 H new ATOM 0 HA ASP A 234 4.205 11.855 -0.127 1.00 15.00 H new ATOM 0 HB2 ASP A 234 2.101 9.845 -1.036 1.00 15.00 H new ATOM 0 HB3 ASP A 234 1.971 11.590 -1.132 1.00 15.00 H new ATOM 67 N GLY A 235 3.171 9.761 2.030 1.00 15.00 N ATOM 68 CA GLY A 235 2.379 9.490 3.210 1.00 15.00 C ATOM 69 C GLY A 235 1.164 8.653 2.871 1.00 15.00 C ATOM 70 O GLY A 235 0.053 8.930 3.320 1.00 15.00 O ATOM 0 H GLY A 235 3.895 9.070 1.834 1.00 15.00 H new ATOM 0 HA2 GLY A 235 2.988 8.969 3.949 1.00 15.00 H new ATOM 0 HA3 GLY A 235 2.062 10.430 3.663 1.00 15.00 H new ATOM 74 N TRP A 236 1.386 7.618 2.076 1.00 15.00 N ATOM 75 CA TRP A 236 0.312 6.762 1.609 1.00 15.00 C ATOM 76 C TRP A 236 0.410 5.371 2.205 1.00 15.00 C ATOM 77 O TRP A 236 1.497 4.843 2.360 1.00 15.00 O ATOM 78 CB TRP A 236 0.269 6.728 0.101 1.00 15.00 C ATOM 79 CG TRP A 236 1.560 6.490 -0.643 1.00 15.00 C ATOM 80 CD1 TRP A 236 2.656 7.316 -0.781 1.00 15.00 C ATOM 81 CD2 TRP A 236 1.849 5.345 -1.447 1.00 15.00 C ATOM 82 NE1 TRP A 236 3.486 6.795 -1.710 1.00 15.00 N ATOM 83 CE2 TRP A 236 3.051 5.580 -2.098 1.00 15.00 C ATOM 84 CE3 TRP A 236 1.205 4.157 -1.702 1.00 15.00 C ATOM 85 CZ2 TRP A 236 3.610 4.677 -2.991 1.00 15.00 C ATOM 86 CZ3 TRP A 236 1.788 3.274 -2.595 1.00 15.00 C ATOM 87 CH2 TRP A 236 2.964 3.533 -3.216 1.00 15.00 C ATOM 0 H TRP A 236 2.311 7.350 1.739 1.00 15.00 H new ATOM 0 HA TRP A 236 -0.631 7.187 1.954 1.00 15.00 H new ATOM 0 HB2 TRP A 236 -0.434 5.950 -0.195 1.00 15.00 H new ATOM 0 HB3 TRP A 236 -0.143 7.677 -0.242 1.00 15.00 H new ATOM 0 HD1 TRP A 236 2.823 8.232 -0.234 1.00 15.00 H new ATOM 0 HE1 TRP A 236 4.323 7.256 -2.067 1.00 15.00 H new ATOM 0 HE3 TRP A 236 0.269 3.919 -1.218 1.00 15.00 H new ATOM 0 HZ2 TRP A 236 4.543 4.895 -3.490 1.00 15.00 H new ATOM 0 HZ3 TRP A 236 1.285 2.341 -2.805 1.00 15.00 H new ATOM 0 HH2 TRP A 236 3.381 2.807 -3.898 1.00 15.00 H new ATOM 98 N GLU A 237 -0.717 4.705 2.377 1.00 15.00 N ATOM 99 CA GLU A 237 -0.880 3.817 3.514 1.00 15.00 C ATOM 100 C GLU A 237 -0.416 2.413 3.246 1.00 15.00 C ATOM 101 O GLU A 237 -0.683 1.797 2.213 1.00 15.00 O ATOM 102 CB GLU A 237 -2.353 3.805 3.932 1.00 15.00 C ATOM 103 CG GLU A 237 -2.746 2.826 5.040 1.00 15.00 C ATOM 104 CD GLU A 237 -2.074 3.151 6.361 1.00 15.00 C ATOM 105 OE1 GLU A 237 -0.827 3.127 6.433 1.00 15.00 O1- ATOM 106 OE2 GLU A 237 -2.792 3.484 7.326 1.00 15.00 O ATOM 0 H GLU A 237 -1.523 4.760 1.754 1.00 15.00 H new ATOM 0 HA GLU A 237 -0.250 4.202 4.316 1.00 15.00 H new ATOM 0 HB2 GLU A 237 -2.623 4.810 4.255 1.00 15.00 H new ATOM 0 HB3 GLU A 237 -2.955 3.581 3.051 1.00 15.00 H new ATOM 0 HG2 GLU A 237 -3.828 2.845 5.171 1.00 15.00 H new ATOM 0 HG3 GLU A 237 -2.479 1.813 4.738 1.00 15.00 H new ATOM 113 N GLN A 238 0.268 1.953 4.271 1.00 15.00 N ATOM 114 CA GLN A 238 0.903 0.652 4.322 1.00 15.00 C ATOM 115 C GLN A 238 0.209 -0.178 5.374 1.00 15.00 C ATOM 116 O GLN A 238 0.409 0.014 6.574 1.00 15.00 O ATOM 117 CB GLN A 238 2.394 0.768 4.655 1.00 15.00 C ATOM 118 CG GLN A 238 3.060 -0.561 4.970 1.00 15.00 C ATOM 119 CD GLN A 238 4.202 -0.411 5.955 1.00 15.00 C ATOM 120 OE1 GLN A 238 4.876 0.620 5.999 1.00 15.00 O ATOM 121 NE2 GLN A 238 4.418 -1.433 6.767 1.00 15.00 N ATOM 0 H GLN A 238 0.403 2.495 5.125 1.00 15.00 H new ATOM 0 HA GLN A 238 0.820 0.180 3.343 1.00 15.00 H new ATOM 0 HB2 GLN A 238 2.909 1.231 3.813 1.00 15.00 H new ATOM 0 HB3 GLN A 238 2.515 1.435 5.509 1.00 15.00 H new ATOM 0 HG2 GLN A 238 2.319 -1.249 5.378 1.00 15.00 H new ATOM 0 HG3 GLN A 238 3.434 -1.005 4.048 1.00 15.00 H new ATOM 0 HE21 GLN A 238 3.838 -2.269 6.699 1.00 15.00 H new ATOM 0 HE22 GLN A 238 5.164 -1.384 7.461 1.00 15.00 H new ATOM 130 N ALA A 239 -0.641 -1.061 4.926 1.00 15.00 N ATOM 131 CA ALA A 239 -1.456 -1.833 5.828 1.00 15.00 C ATOM 132 C ALA A 239 -1.085 -3.298 5.765 1.00 15.00 C ATOM 133 O ALA A 239 -0.636 -3.790 4.725 1.00 15.00 O ATOM 134 CB ALA A 239 -2.920 -1.626 5.523 1.00 15.00 C ATOM 0 H ALA A 239 -0.789 -1.265 3.938 1.00 15.00 H new ATOM 0 HA ALA A 239 -1.271 -1.488 6.845 1.00 15.00 H new ATOM 0 HB1 ALA A 239 -3.522 -2.216 6.213 1.00 15.00 H new ATOM 0 HB2 ALA A 239 -3.169 -0.571 5.635 1.00 15.00 H new ATOM 0 HB3 ALA A 239 -3.127 -1.941 4.500 1.00 15.00 H new ATOM 140 N MET A 240 -1.268 -3.988 6.875 1.00 15.00 N ATOM 141 CA MET A 240 -0.854 -5.370 6.980 1.00 15.00 C ATOM 142 C MET A 240 -1.990 -6.272 6.532 1.00 15.00 C ATOM 143 O MET A 240 -2.963 -6.462 7.258 1.00 15.00 O ATOM 144 CB MET A 240 -0.472 -5.719 8.423 1.00 15.00 C ATOM 145 CG MET A 240 0.340 -4.648 9.137 1.00 15.00 C ATOM 146 SD MET A 240 1.886 -4.254 8.301 1.00 15.00 S ATOM 147 CE MET A 240 2.577 -3.046 9.427 1.00 15.00 C ATOM 0 H MET A 240 -1.702 -3.611 7.717 1.00 15.00 H new ATOM 0 HA MET A 240 0.018 -5.518 6.343 1.00 15.00 H new ATOM 0 HB2 MET A 240 -1.383 -5.906 8.992 1.00 15.00 H new ATOM 0 HB3 MET A 240 0.098 -6.648 8.420 1.00 15.00 H new ATOM 0 HG2 MET A 240 -0.261 -3.742 9.222 1.00 15.00 H new ATOM 0 HG3 MET A 240 0.558 -4.982 10.151 1.00 15.00 H new ATOM 0 HE1 MET A 240 3.540 -2.704 9.047 1.00 15.00 H new ATOM 0 HE2 MET A 240 1.898 -2.198 9.512 1.00 15.00 H new ATOM 0 HE3 MET A 240 2.715 -3.500 10.408 1.00 15.00 H new ATOM 157 N THR A 241 -1.882 -6.798 5.324 1.00 15.00 N ATOM 158 CA THR A 241 -2.911 -7.672 4.803 1.00 15.00 C ATOM 159 C THR A 241 -2.589 -9.114 5.176 1.00 15.00 C ATOM 160 O THR A 241 -1.417 -9.484 5.304 1.00 15.00 O ATOM 161 CB THR A 241 -3.084 -7.520 3.274 1.00 15.00 C ATOM 162 OG1 THR A 241 -4.210 -8.285 2.827 1.00 15.00 O ATOM 163 CG2 THR A 241 -1.839 -7.964 2.527 1.00 15.00 C ATOM 0 H THR A 241 -1.098 -6.635 4.692 1.00 15.00 H new ATOM 0 HA THR A 241 -3.861 -7.386 5.253 1.00 15.00 H new ATOM 0 HB THR A 241 -3.251 -6.464 3.063 1.00 15.00 H new ATOM 0 HG1 THR A 241 -4.312 -8.181 1.858 1.00 15.00 H new ATOM 0 HG21 THR A 241 -1.996 -7.844 1.455 1.00 15.00 H new ATOM 0 HG22 THR A 241 -0.990 -7.356 2.840 1.00 15.00 H new ATOM 0 HG23 THR A 241 -1.636 -9.012 2.749 1.00 15.00 H new ATOM 171 N GLN A 242 -3.635 -9.912 5.337 1.00 15.00 N ATOM 172 CA GLN A 242 -3.537 -11.248 5.921 1.00 15.00 C ATOM 173 C GLN A 242 -2.700 -12.198 5.079 1.00 15.00 C ATOM 174 O GLN A 242 -2.161 -13.181 5.587 1.00 15.00 O ATOM 175 CB GLN A 242 -4.933 -11.814 6.097 1.00 15.00 C ATOM 176 CG GLN A 242 -5.822 -10.923 6.950 1.00 15.00 C ATOM 177 CD GLN A 242 -5.204 -10.617 8.303 1.00 15.00 C ATOM 178 OE1 GLN A 242 -4.477 -11.437 8.870 1.00 15.00 O ATOM 179 NE2 GLN A 242 -5.459 -9.423 8.816 1.00 15.00 N ATOM 0 H GLN A 242 -4.583 -9.652 5.065 1.00 15.00 H new ATOM 0 HA GLN A 242 -3.035 -11.152 6.884 1.00 15.00 H new ATOM 0 HB2 GLN A 242 -5.393 -11.949 5.118 1.00 15.00 H new ATOM 0 HB3 GLN A 242 -4.866 -12.800 6.556 1.00 15.00 H new ATOM 0 HG2 GLN A 242 -6.012 -9.989 6.420 1.00 15.00 H new ATOM 0 HG3 GLN A 242 -6.787 -11.409 7.095 1.00 15.00 H new ATOM 0 HE21 GLN A 242 -6.065 -8.772 8.317 1.00 15.00 H new ATOM 0 HE22 GLN A 242 -5.049 -9.154 9.710 1.00 15.00 H new ATOM 188 N ASP A 243 -2.640 -11.922 3.791 1.00 15.00 N ATOM 189 CA ASP A 243 -1.753 -12.651 2.874 1.00 15.00 C ATOM 190 C ASP A 243 -0.290 -12.502 3.298 1.00 15.00 C ATOM 191 O ASP A 243 0.585 -13.257 2.873 1.00 15.00 O ATOM 192 CB ASP A 243 -1.922 -12.116 1.460 1.00 15.00 C ATOM 193 CG ASP A 243 -1.107 -12.890 0.437 1.00 15.00 C ATOM 194 OD1 ASP A 243 -1.299 -14.120 0.319 1.00 15.00 O1- ATOM 195 OD2 ASP A 243 -0.265 -12.279 -0.245 1.00 15.00 O ATOM 0 H ASP A 243 -3.196 -11.194 3.343 1.00 15.00 H new ATOM 0 HA ASP A 243 -2.022 -13.707 2.906 1.00 15.00 H new ATOM 0 HB2 ASP A 243 -2.976 -12.157 1.184 1.00 15.00 H new ATOM 0 HB3 ASP A 243 -1.626 -11.067 1.435 1.00 15.00 H new ATOM 200 N GLY A 244 -0.050 -11.515 4.142 1.00 15.00 N ATOM 201 CA GLY A 244 1.269 -11.292 4.697 1.00 15.00 C ATOM 202 C GLY A 244 2.093 -10.352 3.851 1.00 15.00 C ATOM 203 O GLY A 244 3.225 -10.663 3.477 1.00 15.00 O ATOM 0 H GLY A 244 -0.758 -10.852 4.459 1.00 15.00 H new ATOM 0 HA2 GLY A 244 1.174 -10.883 5.703 1.00 15.00 H new ATOM 0 HA3 GLY A 244 1.789 -12.246 4.788 1.00 15.00 H new ATOM 207 N GLU A 245 1.516 -9.195 3.562 1.00 15.00 N ATOM 208 CA GLU A 245 2.188 -8.163 2.781 1.00 15.00 C ATOM 209 C GLU A 245 1.910 -6.794 3.378 1.00 15.00 C ATOM 210 O GLU A 245 0.790 -6.522 3.825 1.00 15.00 O ATOM 211 CB GLU A 245 1.698 -8.178 1.332 1.00 15.00 C ATOM 212 CG GLU A 245 2.097 -9.421 0.545 1.00 15.00 C ATOM 213 CD GLU A 245 3.583 -9.505 0.256 1.00 15.00 C ATOM 214 OE1 GLU A 245 4.288 -8.489 0.408 1.00 15.00 O1- ATOM 215 OE2 GLU A 245 4.048 -10.596 -0.151 1.00 15.00 O ATOM 0 H GLU A 245 0.573 -8.944 3.860 1.00 15.00 H new ATOM 0 HA GLU A 245 3.259 -8.367 2.802 1.00 15.00 H new ATOM 0 HB2 GLU A 245 0.611 -8.094 1.328 1.00 15.00 H new ATOM 0 HB3 GLU A 245 2.088 -7.298 0.820 1.00 15.00 H new ATOM 0 HG2 GLU A 245 1.793 -10.307 1.103 1.00 15.00 H new ATOM 0 HG3 GLU A 245 1.551 -9.435 -0.398 1.00 15.00 H new ATOM 222 N ILE A 246 2.913 -5.934 3.376 1.00 15.00 N ATOM 223 CA ILE A 246 2.725 -4.559 3.797 1.00 15.00 C ATOM 224 C ILE A 246 2.517 -3.684 2.560 1.00 15.00 C ATOM 225 O ILE A 246 3.460 -3.183 1.957 1.00 15.00 O ATOM 226 CB ILE A 246 3.905 -4.052 4.674 1.00 15.00 C ATOM 227 CG1 ILE A 246 5.230 -4.034 3.900 1.00 15.00 C ATOM 228 CG2 ILE A 246 4.042 -4.933 5.908 1.00 15.00 C ATOM 229 CD1 ILE A 246 6.418 -3.586 4.729 1.00 15.00 C ATOM 0 H ILE A 246 3.864 -6.164 3.088 1.00 15.00 H new ATOM 0 HA ILE A 246 1.838 -4.500 4.428 1.00 15.00 H new ATOM 0 HB ILE A 246 3.682 -3.027 4.970 1.00 15.00 H new ATOM 0 HG12 ILE A 246 5.426 -5.033 3.511 1.00 15.00 H new ATOM 0 HG13 ILE A 246 5.129 -3.372 3.040 1.00 15.00 H new ATOM 0 HG21 ILE A 246 4.870 -4.575 6.520 1.00 15.00 H new ATOM 0 HG22 ILE A 246 3.119 -4.895 6.487 1.00 15.00 H new ATOM 0 HG23 ILE A 246 4.235 -5.961 5.601 1.00 15.00 H new ATOM 0 HD11 ILE A 246 7.317 -3.599 4.113 1.00 15.00 H new ATOM 0 HD12 ILE A 246 6.245 -2.574 5.096 1.00 15.00 H new ATOM 0 HD13 ILE A 246 6.547 -4.262 5.575 1.00 15.00 H new ATOM 241 N TYR A 247 1.260 -3.486 2.189 1.00 15.00 N ATOM 242 CA TYR A 247 0.953 -2.943 0.874 1.00 15.00 C ATOM 243 C TYR A 247 0.906 -1.418 0.930 1.00 15.00 C ATOM 244 O TYR A 247 0.560 -0.836 1.952 1.00 15.00 O ATOM 245 CB TYR A 247 -0.386 -3.529 0.339 1.00 15.00 C ATOM 246 CG TYR A 247 -1.641 -2.880 0.914 1.00 15.00 C ATOM 247 CD1 TYR A 247 -1.915 -1.538 0.678 1.00 15.00 C ATOM 248 CD2 TYR A 247 -2.537 -3.600 1.697 1.00 15.00 C ATOM 249 CE1 TYR A 247 -3.014 -0.923 1.199 1.00 15.00 C ATOM 250 CE2 TYR A 247 -3.668 -2.991 2.229 1.00 15.00 C ATOM 251 CZ TYR A 247 -3.895 -1.645 1.977 1.00 15.00 C ATOM 252 OH TYR A 247 -5.001 -1.025 2.503 1.00 15.00 O ATOM 0 H TYR A 247 0.447 -3.690 2.770 1.00 15.00 H new ATOM 0 HA TYR A 247 1.743 -3.233 0.181 1.00 15.00 H new ATOM 0 HB2 TYR A 247 -0.404 -3.425 -0.746 1.00 15.00 H new ATOM 0 HB3 TYR A 247 -0.413 -4.596 0.558 1.00 15.00 H new ATOM 0 HD1 TYR A 247 -1.237 -0.965 0.063 1.00 15.00 H new ATOM 0 HD2 TYR A 247 -2.352 -4.646 1.894 1.00 15.00 H new ATOM 0 HE1 TYR A 247 -3.194 0.124 1.004 1.00 15.00 H new ATOM 0 HE2 TYR A 247 -4.362 -3.559 2.831 1.00 15.00 H new ATOM 0 HH TYR A 247 -5.696 -0.958 1.816 1.00 15.00 H new ATOM 262 N TYR A 248 1.246 -0.800 -0.185 1.00 15.00 N ATOM 263 CA TYR A 248 1.228 0.649 -0.339 1.00 15.00 C ATOM 264 C TYR A 248 0.200 1.066 -1.384 1.00 15.00 C ATOM 265 O TYR A 248 0.322 0.708 -2.549 1.00 15.00 O ATOM 266 CB TYR A 248 2.623 1.114 -0.698 1.00 15.00 C ATOM 267 CG TYR A 248 3.511 1.230 0.511 1.00 15.00 C ATOM 268 CD1 TYR A 248 4.186 0.122 1.008 1.00 15.00 C ATOM 269 CD2 TYR A 248 3.696 2.455 1.147 1.00 15.00 C ATOM 270 CE1 TYR A 248 5.011 0.230 2.104 1.00 15.00 C ATOM 271 CE2 TYR A 248 4.527 2.564 2.229 1.00 15.00 C ATOM 272 CZ TYR A 248 5.181 1.452 2.710 1.00 15.00 C ATOM 273 OH TYR A 248 6.027 1.566 3.786 1.00 15.00 O ATOM 0 H TYR A 248 1.548 -1.295 -1.024 1.00 15.00 H new ATOM 0 HA TYR A 248 0.931 1.123 0.597 1.00 15.00 H new ATOM 0 HB2 TYR A 248 3.066 0.415 -1.407 1.00 15.00 H new ATOM 0 HB3 TYR A 248 2.565 2.081 -1.198 1.00 15.00 H new ATOM 0 HD1 TYR A 248 4.061 -0.837 0.528 1.00 15.00 H new ATOM 0 HD2 TYR A 248 3.178 3.329 0.782 1.00 15.00 H new ATOM 0 HE1 TYR A 248 5.522 -0.641 2.486 1.00 15.00 H new ATOM 0 HE2 TYR A 248 4.670 3.523 2.706 1.00 15.00 H new ATOM 0 HH TYR A 248 5.564 1.274 4.599 1.00 15.00 H new ATOM 283 N ILE A 249 -0.827 1.805 -0.965 1.00 15.00 N ATOM 284 CA ILE A 249 -1.789 2.367 -1.915 1.00 15.00 C ATOM 285 C ILE A 249 -1.906 3.879 -1.745 1.00 15.00 C ATOM 286 O ILE A 249 -2.046 4.388 -0.628 1.00 15.00 O ATOM 287 CB ILE A 249 -3.199 1.746 -1.801 1.00 15.00 C ATOM 288 CG1 ILE A 249 -3.789 1.954 -0.402 1.00 15.00 C ATOM 289 CG2 ILE A 249 -3.166 0.274 -2.171 1.00 15.00 C ATOM 290 CD1 ILE A 249 -5.057 1.165 -0.165 1.00 15.00 C ATOM 0 H ILE A 249 -1.014 2.027 0.013 1.00 15.00 H new ATOM 0 HA ILE A 249 -1.396 2.124 -2.902 1.00 15.00 H new ATOM 0 HB ILE A 249 -3.851 2.259 -2.508 1.00 15.00 H new ATOM 0 HG12 ILE A 249 -3.047 1.669 0.344 1.00 15.00 H new ATOM 0 HG13 ILE A 249 -3.996 3.014 -0.256 1.00 15.00 H new ATOM 0 HG21 ILE A 249 -4.168 -0.145 -2.084 1.00 15.00 H new ATOM 0 HG22 ILE A 249 -2.814 0.164 -3.197 1.00 15.00 H new ATOM 0 HG23 ILE A 249 -2.492 -0.255 -1.498 1.00 15.00 H new ATOM 0 HD11 ILE A 249 -5.422 1.358 0.844 1.00 15.00 H new ATOM 0 HD12 ILE A 249 -5.814 1.467 -0.889 1.00 15.00 H new ATOM 0 HD13 ILE A 249 -4.850 0.101 -0.279 1.00 15.00 H new ATOM 302 N ASN A 250 -1.832 4.594 -2.854 1.00 15.00 N ATOM 303 CA ASN A 250 -1.940 6.045 -2.835 1.00 15.00 C ATOM 304 C ASN A 250 -3.086 6.481 -3.727 1.00 15.00 C ATOM 305 O ASN A 250 -3.236 5.974 -4.842 1.00 15.00 O ATOM 306 CB ASN A 250 -0.640 6.697 -3.318 1.00 15.00 C ATOM 307 CG ASN A 250 -0.574 8.193 -3.026 1.00 15.00 C ATOM 308 OD1 ASN A 250 -1.591 8.864 -2.890 1.00 15.00 O ATOM 309 ND2 ASN A 250 0.629 8.732 -2.951 1.00 15.00 N ATOM 0 H ASN A 250 -1.697 4.193 -3.782 1.00 15.00 H new ATOM 0 HA ASN A 250 -2.127 6.363 -1.809 1.00 15.00 H new ATOM 0 HB2 ASN A 250 0.206 6.202 -2.841 1.00 15.00 H new ATOM 0 HB3 ASN A 250 -0.538 6.538 -4.392 1.00 15.00 H new ATOM 0 HD21 ASN A 250 0.730 9.732 -2.776 1.00 15.00 H new ATOM 0 HD22 ASN A 250 1.457 8.149 -3.068 1.00 15.00 H new ATOM 316 N HIS A 251 -3.866 7.436 -3.235 1.00 15.00 N ATOM 317 CA HIS A 251 -4.989 7.996 -3.978 1.00 15.00 C ATOM 318 C HIS A 251 -4.515 9.003 -5.018 1.00 15.00 C ATOM 319 O HIS A 251 -5.201 9.258 -6.003 1.00 15.00 O ATOM 320 CB HIS A 251 -5.989 8.650 -3.020 1.00 15.00 C ATOM 321 CG HIS A 251 -6.829 7.671 -2.252 1.00 15.00 C ATOM 322 ND1 HIS A 251 -6.320 6.798 -1.310 1.00 15.00 N ATOM 323 CD2 HIS A 251 -8.161 7.445 -2.284 1.00 15.00 C ATOM 324 CE1 HIS A 251 -7.304 6.086 -0.803 1.00 15.00 C ATOM 325 NE2 HIS A 251 -8.436 6.458 -1.372 1.00 15.00 N ATOM 0 H HIS A 251 -3.738 7.844 -2.309 1.00 15.00 H new ATOM 0 HA HIS A 251 -5.486 7.180 -4.502 1.00 15.00 H new ATOM 0 HB2 HIS A 251 -5.444 9.277 -2.315 1.00 15.00 H new ATOM 0 HB3 HIS A 251 -6.645 9.308 -3.590 1.00 15.00 H new ATOM 0 HD1 HIS A 251 -5.337 6.718 -1.049 1.00 15.00 H new ATOM 0 HD2 HIS A 251 -8.879 7.950 -2.913 1.00 15.00 H new ATOM 0 HE1 HIS A 251 -7.202 5.323 -0.046 1.00 15.00 H new ATOM 334 N LYS A 252 -3.346 9.582 -4.791 1.00 15.00 N ATOM 335 CA LYS A 252 -2.763 10.508 -5.750 1.00 15.00 C ATOM 336 C LYS A 252 -1.888 9.749 -6.743 1.00 15.00 C ATOM 337 O LYS A 252 -1.670 10.194 -7.870 1.00 15.00 O ATOM 338 CB LYS A 252 -1.955 11.595 -5.030 1.00 15.00 C ATOM 339 CG LYS A 252 -1.290 12.595 -5.966 1.00 15.00 C ATOM 340 CD LYS A 252 -2.306 13.335 -6.826 1.00 15.00 C ATOM 341 CE LYS A 252 -1.622 14.239 -7.842 1.00 15.00 C ATOM 342 NZ LYS A 252 -0.774 13.468 -8.794 1.00 15.00 N1+ ATOM 0 H LYS A 252 -2.784 9.428 -3.954 1.00 15.00 H new ATOM 0 HA LYS A 252 -3.568 10.997 -6.299 1.00 15.00 H new ATOM 0 HB2 LYS A 252 -2.615 12.133 -4.350 1.00 15.00 H new ATOM 0 HB3 LYS A 252 -1.188 11.119 -4.420 1.00 15.00 H new ATOM 0 HG2 LYS A 252 -0.718 13.315 -5.380 1.00 15.00 H new ATOM 0 HG3 LYS A 252 -0.582 12.073 -6.610 1.00 15.00 H new ATOM 0 HD2 LYS A 252 -2.938 12.615 -7.345 1.00 15.00 H new ATOM 0 HD3 LYS A 252 -2.959 13.931 -6.188 1.00 15.00 H new ATOM 0 HE2 LYS A 252 -2.377 14.796 -8.398 1.00 15.00 H new ATOM 0 HE3 LYS A 252 -1.006 14.971 -7.319 1.00 15.00 H new ATOM 0 HZ1 LYS A 252 -0.562 14.056 -9.625 1.00 15.00 H new ATOM 0 HZ2 LYS A 252 0.114 13.196 -8.326 1.00 15.00 H new ATOM 0 HZ3 LYS A 252 -1.282 12.612 -9.096 1.00 15.00 H new ATOM 356 N ASN A 253 -1.378 8.601 -6.316 1.00 15.00 N ATOM 357 CA ASN A 253 -0.591 7.755 -7.203 1.00 15.00 C ATOM 358 C ASN A 253 -1.495 6.774 -7.934 1.00 15.00 C ATOM 359 O ASN A 253 -1.106 6.204 -8.955 1.00 15.00 O ATOM 360 CB ASN A 253 0.526 7.008 -6.447 1.00 15.00 C ATOM 361 CG ASN A 253 1.664 7.930 -6.040 1.00 15.00 C ATOM 362 OD1 ASN A 253 1.900 8.962 -6.669 1.00 15.00 O ATOM 363 ND2 ASN A 253 2.399 7.551 -5.004 1.00 15.00 N ATOM 0 H ASN A 253 -1.494 8.237 -5.370 1.00 15.00 H new ATOM 0 HA ASN A 253 -0.107 8.403 -7.934 1.00 15.00 H new ATOM 0 HB2 ASN A 253 0.107 6.537 -5.558 1.00 15.00 H new ATOM 0 HB3 ASN A 253 0.916 6.209 -7.077 1.00 15.00 H new ATOM 0 HD21 ASN A 253 3.190 8.121 -4.704 1.00 15.00 H new ATOM 0 HD22 ASN A 253 2.174 6.689 -4.507 1.00 15.00 H new ATOM 370 N LYS A 254 -2.706 6.587 -7.398 1.00 15.00 N ATOM 371 CA LYS A 254 -3.704 5.697 -7.985 1.00 15.00 C ATOM 372 C LYS A 254 -3.102 4.309 -8.229 1.00 15.00 C ATOM 373 O LYS A 254 -3.382 3.656 -9.235 1.00 15.00 O ATOM 374 CB LYS A 254 -4.239 6.304 -9.293 1.00 15.00 C ATOM 375 CG LYS A 254 -5.445 5.571 -9.860 1.00 15.00 C ATOM 376 CD LYS A 254 -5.942 6.214 -11.143 1.00 15.00 C ATOM 377 CE LYS A 254 -7.066 5.406 -11.769 1.00 15.00 C ATOM 378 NZ LYS A 254 -6.633 4.027 -12.114 1.00 15.00 N1+ ATOM 0 H LYS A 254 -3.018 7.050 -6.545 1.00 15.00 H new ATOM 0 HA LYS A 254 -4.536 5.585 -7.290 1.00 15.00 H new ATOM 0 HB2 LYS A 254 -4.508 7.345 -9.116 1.00 15.00 H new ATOM 0 HB3 LYS A 254 -3.442 6.303 -10.036 1.00 15.00 H new ATOM 0 HG2 LYS A 254 -5.181 4.531 -10.053 1.00 15.00 H new ATOM 0 HG3 LYS A 254 -6.247 5.565 -9.122 1.00 15.00 H new ATOM 0 HD2 LYS A 254 -6.292 7.225 -10.933 1.00 15.00 H new ATOM 0 HD3 LYS A 254 -5.118 6.302 -11.851 1.00 15.00 H new ATOM 0 HE2 LYS A 254 -7.908 5.360 -11.078 1.00 15.00 H new ATOM 0 HE3 LYS A 254 -7.419 5.911 -12.668 1.00 15.00 H new ATOM 0 HZ1 LYS A 254 -7.291 3.620 -12.809 1.00 15.00 H new ATOM 0 HZ2 LYS A 254 -5.675 4.055 -12.518 1.00 15.00 H new ATOM 0 HZ3 LYS A 254 -6.629 3.439 -11.256 1.00 15.00 H new ATOM 392 N THR A 255 -2.290 3.845 -7.290 1.00 15.00 N ATOM 393 CA THR A 255 -1.586 2.588 -7.488 1.00 15.00 C ATOM 394 C THR A 255 -1.303 1.838 -6.232 1.00 15.00 C ATOM 395 O THR A 255 -1.166 2.391 -5.135 1.00 15.00 O ATOM 396 CB THR A 255 -0.287 2.676 -8.303 1.00 15.00 C ATOM 397 OG1 THR A 255 0.384 1.408 -8.348 1.00 15.00 O ATOM 398 CG2 THR A 255 0.674 3.725 -7.753 1.00 15.00 C ATOM 0 H THR A 255 -2.105 4.309 -6.401 1.00 15.00 H new ATOM 0 HA THR A 255 -2.315 2.035 -8.081 1.00 15.00 H new ATOM 0 HB THR A 255 -0.582 2.972 -9.310 1.00 15.00 H new ATOM 0 HG1 THR A 255 1.207 1.492 -8.874 1.00 15.00 H new ATOM 0 HG21 THR A 255 1.576 3.748 -8.364 1.00 15.00 H new ATOM 0 HG22 THR A 255 0.196 4.704 -7.776 1.00 15.00 H new ATOM 0 HG23 THR A 255 0.938 3.474 -6.726 1.00 15.00 H new ATOM 406 N THR A 256 -1.252 0.563 -6.454 1.00 15.00 N ATOM 407 CA THR A 256 -1.050 -0.421 -5.414 1.00 15.00 C ATOM 408 C THR A 256 0.297 -1.119 -5.592 1.00 15.00 C ATOM 409 O THR A 256 0.556 -1.756 -6.614 1.00 15.00 O ATOM 410 CB THR A 256 -2.164 -1.470 -5.428 1.00 15.00 C ATOM 411 OG1 THR A 256 -3.444 -0.824 -5.446 1.00 15.00 O ATOM 412 CG2 THR A 256 -2.063 -2.363 -4.202 1.00 15.00 C ATOM 0 H THR A 256 -1.351 0.157 -7.384 1.00 15.00 H new ATOM 0 HA THR A 256 -1.066 0.102 -4.458 1.00 15.00 H new ATOM 0 HB THR A 256 -2.054 -2.082 -6.324 1.00 15.00 H new ATOM 0 HG1 THR A 256 -4.014 -1.207 -4.747 1.00 15.00 H new ATOM 0 HG21 THR A 256 -2.862 -3.104 -4.225 1.00 15.00 H new ATOM 0 HG22 THR A 256 -1.098 -2.869 -4.199 1.00 15.00 H new ATOM 0 HG23 THR A 256 -2.157 -1.756 -3.301 1.00 15.00 H new ATOM 420 N SER A 257 1.149 -0.977 -4.598 1.00 15.00 N ATOM 421 CA SER A 257 2.461 -1.597 -4.598 1.00 15.00 C ATOM 422 C SER A 257 2.551 -2.614 -3.464 1.00 15.00 C ATOM 423 O SER A 257 2.069 -2.356 -2.359 1.00 15.00 O ATOM 424 CB SER A 257 3.534 -0.515 -4.428 1.00 15.00 C ATOM 425 OG SER A 257 4.839 -1.069 -4.419 1.00 15.00 O ATOM 0 H SER A 257 0.951 -0.426 -3.763 1.00 15.00 H new ATOM 0 HA SER A 257 2.622 -2.114 -5.544 1.00 15.00 H new ATOM 0 HB2 SER A 257 3.452 0.210 -5.238 1.00 15.00 H new ATOM 0 HB3 SER A 257 3.362 0.026 -3.497 1.00 15.00 H new ATOM 0 HG SER A 257 5.212 -1.013 -3.514 1.00 15.00 H new ATOM 431 N TRP A 258 3.168 -3.764 -3.738 1.00 15.00 N ATOM 432 CA TRP A 258 3.391 -4.782 -2.712 1.00 15.00 C ATOM 433 C TRP A 258 4.231 -4.263 -1.561 1.00 15.00 C ATOM 434 O TRP A 258 3.835 -4.342 -0.410 1.00 15.00 O ATOM 435 CB TRP A 258 4.104 -6.006 -3.281 1.00 15.00 C ATOM 436 CG TRP A 258 3.213 -7.083 -3.808 1.00 15.00 C ATOM 437 CD1 TRP A 258 3.393 -7.807 -4.949 1.00 15.00 C ATOM 438 CD2 TRP A 258 2.019 -7.580 -3.201 1.00 15.00 C ATOM 439 NE1 TRP A 258 2.400 -8.743 -5.073 1.00 15.00 N ATOM 440 CE2 TRP A 258 1.541 -8.617 -4.020 1.00 15.00 C ATOM 441 CE3 TRP A 258 1.303 -7.254 -2.046 1.00 15.00 C ATOM 442 CZ2 TRP A 258 0.395 -9.331 -3.717 1.00 15.00 C ATOM 443 CZ3 TRP A 258 0.151 -7.959 -1.760 1.00 15.00 C ATOM 444 CH2 TRP A 258 -0.283 -8.992 -2.595 1.00 15.00 C ATOM 0 H TRP A 258 3.522 -4.013 -4.662 1.00 15.00 H new ATOM 0 HA TRP A 258 2.398 -5.052 -2.352 1.00 15.00 H new ATOM 0 HB2 TRP A 258 4.764 -5.679 -4.085 1.00 15.00 H new ATOM 0 HB3 TRP A 258 4.737 -6.431 -2.502 1.00 15.00 H new ATOM 0 HD1 TRP A 258 4.200 -7.664 -5.652 1.00 15.00 H new ATOM 0 HE1 TRP A 258 2.316 -9.423 -5.829 1.00 15.00 H new ATOM 0 HE3 TRP A 258 1.644 -6.466 -1.390 1.00 15.00 H new ATOM 0 HZ2 TRP A 258 0.053 -10.133 -4.355 1.00 15.00 H new ATOM 0 HZ3 TRP A 258 -0.422 -7.709 -0.879 1.00 15.00 H new ATOM 0 HH2 TRP A 258 -1.182 -9.534 -2.339 1.00 15.00 H new ATOM 455 N LEU A 259 5.407 -3.770 -1.894 1.00 15.00 N ATOM 456 CA LEU A 259 6.414 -3.462 -0.899 1.00 15.00 C ATOM 457 C LEU A 259 6.823 -1.993 -0.894 1.00 15.00 C ATOM 458 O LEU A 259 6.593 -1.266 -1.868 1.00 15.00 O ATOM 459 CB LEU A 259 7.629 -4.364 -1.021 1.00 15.00 C ATOM 460 CG LEU A 259 7.646 -5.510 -0.012 1.00 15.00 C ATOM 461 CD1 LEU A 259 9.007 -6.176 -0.023 1.00 15.00 C ATOM 462 CD2 LEU A 259 7.312 -4.997 1.384 1.00 15.00 C ATOM 0 H LEU A 259 5.690 -3.573 -2.854 1.00 15.00 H new ATOM 0 HA LEU A 259 5.943 -3.659 0.064 1.00 15.00 H new ATOM 0 HB2 LEU A 259 7.663 -4.778 -2.029 1.00 15.00 H new ATOM 0 HB3 LEU A 259 8.530 -3.764 -0.892 1.00 15.00 H new ATOM 0 HG LEU A 259 6.890 -6.243 -0.293 1.00 15.00 H new ATOM 0 HD11 LEU A 259 9.018 -6.994 0.698 1.00 15.00 H new ATOM 0 HD12 LEU A 259 9.212 -6.568 -1.019 1.00 15.00 H new ATOM 0 HD13 LEU A 259 9.771 -5.446 0.245 1.00 15.00 H new ATOM 0 HD21 LEU A 259 7.329 -5.827 2.090 1.00 15.00 H new ATOM 0 HD22 LEU A 259 8.048 -4.251 1.683 1.00 15.00 H new ATOM 0 HD23 LEU A 259 6.320 -4.546 1.378 1.00 15.00 H new ATOM 474 N ASP A 260 7.436 -1.571 0.216 1.00 15.00 N ATOM 475 CA ASP A 260 7.617 -0.176 0.556 1.00 15.00 C ATOM 476 C ASP A 260 8.416 0.589 -0.486 1.00 15.00 C ATOM 477 O ASP A 260 9.507 0.196 -0.888 1.00 15.00 O ATOM 478 CB ASP A 260 8.299 -0.076 1.925 1.00 15.00 C ATOM 479 CG ASP A 260 9.578 -0.879 2.042 1.00 15.00 C ATOM 480 OD1 ASP A 260 9.569 -2.091 1.741 1.00 15.00 O1- ATOM 481 OD2 ASP A 260 10.589 -0.307 2.484 1.00 15.00 O ATOM 0 H ASP A 260 7.824 -2.210 0.910 1.00 15.00 H new ATOM 0 HA ASP A 260 6.630 0.285 0.588 1.00 15.00 H new ATOM 0 HB2 ASP A 260 8.520 0.971 2.132 1.00 15.00 H new ATOM 0 HB3 ASP A 260 7.601 -0.412 2.692 1.00 15.00 H new ATOM 486 N PRO A 261 7.855 1.735 -0.910 1.00 15.00 N ATOM 487 CA PRO A 261 8.395 2.572 -1.957 1.00 15.00 C ATOM 488 C PRO A 261 9.446 3.491 -1.487 1.00 15.00 C ATOM 489 O PRO A 261 10.122 4.243 -2.183 1.00 15.00 O ATOM 490 CB PRO A 261 7.165 3.224 -2.578 1.00 15.00 C ATOM 491 CG PRO A 261 6.248 3.400 -1.403 1.00 15.00 C ATOM 492 CD PRO A 261 6.598 2.309 -0.406 1.00 15.00 C ATOM 0 HA PRO A 261 8.949 2.012 -2.711 1.00 15.00 H new ATOM 0 HB2 PRO A 261 7.407 4.177 -3.048 1.00 15.00 H new ATOM 0 HB3 PRO A 261 6.719 2.594 -3.347 1.00 15.00 H new ATOM 0 HG2 PRO A 261 6.376 4.386 -0.957 1.00 15.00 H new ATOM 0 HG3 PRO A 261 5.205 3.322 -1.711 1.00 15.00 H new ATOM 0 HD2 PRO A 261 6.722 2.715 0.598 1.00 15.00 H new ATOM 0 HD3 PRO A 261 5.812 1.556 -0.351 1.00 15.00 H new ATOM 500 N ARG A 262 9.449 3.379 -0.280 1.00 15.00 N ATOM 501 CA ARG A 262 10.239 4.186 0.646 1.00 15.00 C ATOM 502 C ARG A 262 11.691 3.702 0.639 1.00 15.00 C ATOM 503 O ARG A 262 12.613 4.425 1.021 1.00 15.00 O ATOM 504 CB ARG A 262 9.682 4.078 2.067 1.00 15.00 C ATOM 505 CG ARG A 262 9.900 2.700 2.659 1.00 15.00 C ATOM 506 CD ARG A 262 9.360 2.551 4.067 1.00 15.00 C ATOM 507 NE ARG A 262 9.576 1.186 4.545 1.00 15.00 N ATOM 508 CZ ARG A 262 9.152 0.710 5.712 1.00 15.00 C ATOM 509 NH1 ARG A 262 8.517 1.498 6.567 1.00 15.00 N1+ ATOM 510 NH2 ARG A 262 9.372 -0.562 6.019 1.00 15.00 N ATOM 0 H ARG A 262 8.876 2.684 0.198 1.00 15.00 H new ATOM 0 HA ARG A 262 10.191 5.226 0.325 1.00 15.00 H new ATOM 0 HB2 ARG A 262 10.160 4.825 2.701 1.00 15.00 H new ATOM 0 HB3 ARG A 262 8.616 4.304 2.057 1.00 15.00 H new ATOM 0 HG2 ARG A 262 9.425 1.959 2.017 1.00 15.00 H new ATOM 0 HG3 ARG A 262 10.968 2.481 2.663 1.00 15.00 H new ATOM 0 HD2 ARG A 262 9.854 3.260 4.731 1.00 15.00 H new ATOM 0 HD3 ARG A 262 8.296 2.787 4.084 1.00 15.00 H new ATOM 0 HE ARG A 262 10.092 0.550 3.936 1.00 15.00 H new ATOM 0 HH11 ARG A 262 8.351 2.476 6.332 1.00 15.00 H new ATOM 0 HH12 ARG A 262 8.194 1.126 7.460 1.00 15.00 H new ATOM 0 HH21 ARG A 262 9.863 -1.168 5.362 1.00 15.00 H new ATOM 0 HH22 ARG A 262 9.050 -0.934 6.912 1.00 15.00 H new ATOM 524 N LEU A 263 11.871 2.454 0.221 1.00 15.00 N ATOM 525 CA LEU A 263 13.161 1.792 0.264 1.00 15.00 C ATOM 526 C LEU A 263 13.390 1.009 -1.021 1.00 15.00 C ATOM 527 O LEU A 263 14.145 1.497 -1.893 1.00 15.00 O ATOM 528 CB LEU A 263 13.231 0.848 1.473 1.00 15.00 C ATOM 529 CG LEU A 263 13.360 1.529 2.842 1.00 15.00 C ATOM 530 CD1 LEU A 263 13.357 0.490 3.954 1.00 15.00 C ATOM 531 CD2 LEU A 263 14.629 2.365 2.904 1.00 15.00 C ATOM 532 OXT LEU A 263 12.800 -0.079 -1.170 1.00 15.00 O ATOM 0 H LEU A 263 11.122 1.875 -0.158 1.00 15.00 H new ATOM 0 HA LEU A 263 13.940 2.548 0.361 1.00 15.00 H new ATOM 0 HB2 LEU A 263 12.334 0.228 1.479 1.00 15.00 H new ATOM 0 HB3 LEU A 263 14.081 0.178 1.339 1.00 15.00 H new ATOM 0 HG LEU A 263 12.504 2.189 2.980 1.00 15.00 H new ATOM 0 HD11 LEU A 263 13.449 0.989 4.919 1.00 15.00 H new ATOM 0 HD12 LEU A 263 12.424 -0.072 3.924 1.00 15.00 H new ATOM 0 HD13 LEU A 263 14.196 -0.192 3.817 1.00 15.00 H new ATOM 0 HD21 LEU A 263 14.704 2.841 3.882 1.00 15.00 H new ATOM 0 HD22 LEU A 263 15.496 1.723 2.745 1.00 15.00 H new ATOM 0 HD23 LEU A 263 14.598 3.131 2.129 1.00 15.00 H new ATOM 545 N THR B 222 0.933 -13.548 -6.717 1.00 15.00 N ATOM 546 CA THR B 222 -0.464 -13.065 -6.689 1.00 15.00 C ATOM 547 C THR B 222 -0.470 -11.537 -6.616 1.00 15.00 C ATOM 548 O THR B 222 0.415 -10.960 -5.997 1.00 15.00 O ATOM 549 CB THR B 222 -1.189 -13.651 -5.455 1.00 15.00 C ATOM 550 OG1 THR B 222 -0.705 -14.976 -5.194 1.00 15.00 O ATOM 551 CG2 THR B 222 -2.696 -13.712 -5.659 1.00 15.00 C ATOM 0 HA THR B 222 -0.981 -13.386 -7.594 1.00 15.00 H new ATOM 0 HB THR B 222 -0.982 -12.993 -4.611 1.00 15.00 H new ATOM 0 HG1 THR B 222 0.232 -15.043 -5.473 1.00 15.00 H new ATOM 0 HG21 THR B 222 -3.167 -14.130 -4.769 1.00 15.00 H new ATOM 0 HG22 THR B 222 -3.080 -12.707 -5.835 1.00 15.00 H new ATOM 0 HG23 THR B 222 -2.922 -14.343 -6.519 1.00 15.00 H new ATOM 561 N PRO B 223 -1.401 -10.852 -7.311 1.00 15.00 N ATOM 562 CA PRO B 223 -1.602 -9.403 -7.144 1.00 15.00 C ATOM 563 C PRO B 223 -2.146 -9.058 -5.750 1.00 15.00 C ATOM 564 O PRO B 223 -2.706 -9.919 -5.068 1.00 15.00 O ATOM 565 CB PRO B 223 -2.643 -9.055 -8.223 1.00 15.00 C ATOM 566 CG PRO B 223 -2.616 -10.198 -9.177 1.00 15.00 C ATOM 567 CD PRO B 223 -2.283 -11.405 -8.353 1.00 15.00 C ATOM 0 HA PRO B 223 -0.670 -8.847 -7.241 1.00 15.00 H new ATOM 0 HB2 PRO B 223 -3.634 -8.929 -7.787 1.00 15.00 H new ATOM 0 HB3 PRO B 223 -2.394 -8.119 -8.723 1.00 15.00 H new ATOM 0 HG2 PRO B 223 -3.579 -10.316 -9.674 1.00 15.00 H new ATOM 0 HG3 PRO B 223 -1.872 -10.039 -9.958 1.00 15.00 H new ATOM 0 HD2 PRO B 223 -3.175 -11.863 -7.927 1.00 15.00 H new ATOM 0 HD3 PRO B 223 -1.781 -12.172 -8.943 1.00 15.00 H new ATOM 575 N PRO B 224 -2.024 -7.784 -5.324 1.00 15.00 N ATOM 576 CA PRO B 224 -2.517 -7.319 -4.032 1.00 15.00 C ATOM 577 C PRO B 224 -3.964 -6.862 -4.143 1.00 15.00 C ATOM 578 O PRO B 224 -4.567 -6.957 -5.216 1.00 15.00 O ATOM 579 CB PRO B 224 -1.604 -6.120 -3.767 1.00 15.00 C ATOM 580 CG PRO B 224 -1.473 -5.510 -5.111 1.00 15.00 C ATOM 581 CD PRO B 224 -1.485 -6.652 -6.096 1.00 15.00 C ATOM 0 HA PRO B 224 -2.501 -8.080 -3.251 1.00 15.00 H new ATOM 0 HB2 PRO B 224 -2.043 -5.427 -3.049 1.00 15.00 H new ATOM 0 HB3 PRO B 224 -0.638 -6.427 -3.365 1.00 15.00 H new ATOM 0 HG2 PRO B 224 -2.293 -4.819 -5.306 1.00 15.00 H new ATOM 0 HG3 PRO B 224 -0.549 -4.938 -5.190 1.00 15.00 H new ATOM 0 HD2 PRO B 224 -2.109 -6.426 -6.961 1.00 15.00 H new ATOM 0 HD3 PRO B 224 -0.484 -6.866 -6.471 1.00 15.00 H new ATOM 589 N PRO B 225 -4.561 -6.401 -3.038 1.00 15.00 N ATOM 590 CA PRO B 225 -5.812 -5.657 -3.102 1.00 15.00 C ATOM 591 C PRO B 225 -5.708 -4.538 -4.140 1.00 15.00 C ATOM 592 O PRO B 225 -4.674 -3.878 -4.238 1.00 15.00 O ATOM 593 CB PRO B 225 -5.942 -5.083 -1.689 1.00 15.00 C ATOM 594 CG PRO B 225 -5.219 -6.054 -0.821 1.00 15.00 C ATOM 595 CD PRO B 225 -4.088 -6.588 -1.653 1.00 15.00 C ATOM 0 HA PRO B 225 -6.669 -6.263 -3.396 1.00 15.00 H new ATOM 0 HB2 PRO B 225 -5.502 -4.088 -1.623 1.00 15.00 H new ATOM 0 HB3 PRO B 225 -6.987 -4.989 -1.394 1.00 15.00 H new ATOM 0 HG2 PRO B 225 -4.845 -5.569 0.081 1.00 15.00 H new ATOM 0 HG3 PRO B 225 -5.881 -6.858 -0.499 1.00 15.00 H new ATOM 0 HD2 PRO B 225 -3.162 -6.044 -1.468 1.00 15.00 H new ATOM 0 HD3 PRO B 225 -3.890 -7.637 -1.435 1.00 15.00 H new ATOM 603 N ALA B 226 -6.763 -4.353 -4.925 1.00 15.00 N ATOM 604 CA ALA B 226 -6.807 -3.310 -5.955 1.00 15.00 C ATOM 605 C ALA B 226 -6.579 -1.923 -5.352 1.00 15.00 C ATOM 606 O ALA B 226 -6.378 -1.788 -4.146 1.00 15.00 O ATOM 607 CB ALA B 226 -8.141 -3.354 -6.684 1.00 15.00 C ATOM 0 H ALA B 226 -7.611 -4.917 -4.870 1.00 15.00 H new ATOM 0 HA ALA B 226 -6.003 -3.502 -6.666 1.00 15.00 H new ATOM 0 HB1 ALA B 226 -8.165 -2.576 -7.447 1.00 15.00 H new ATOM 0 HB2 ALA B 226 -8.266 -4.329 -7.156 1.00 15.00 H new ATOM 0 HB3 ALA B 226 -8.950 -3.189 -5.972 1.00 15.00 H new ATOM 613 N TYR B 227 -6.600 -0.885 -6.177 1.00 15.00 N ATOM 614 CA TYR B 227 -6.448 0.456 -5.646 1.00 15.00 C ATOM 615 C TYR B 227 -7.698 0.811 -4.848 1.00 15.00 C ATOM 616 O TYR B 227 -8.831 0.739 -5.328 1.00 15.00 O ATOM 617 CB TYR B 227 -6.130 1.482 -6.748 1.00 15.00 C ATOM 618 CG TYR B 227 -6.485 2.896 -6.363 1.00 15.00 C ATOM 619 CD1 TYR B 227 -5.995 3.453 -5.192 1.00 15.00 C ATOM 620 CD2 TYR B 227 -7.326 3.664 -7.154 1.00 15.00 C ATOM 621 CE1 TYR B 227 -6.331 4.731 -4.815 1.00 15.00 C ATOM 622 CE2 TYR B 227 -7.665 4.952 -6.791 1.00 15.00 C ATOM 623 CZ TYR B 227 -7.165 5.482 -5.620 1.00 15.00 C ATOM 624 OH TYR B 227 -7.505 6.761 -5.249 1.00 15.00 O ATOM 0 H TYR B 227 -6.718 -0.944 -7.188 1.00 15.00 H new ATOM 0 HA TYR B 227 -5.588 0.486 -4.977 1.00 15.00 H new ATOM 0 HB2 TYR B 227 -5.067 1.433 -6.986 1.00 15.00 H new ATOM 0 HB3 TYR B 227 -6.672 1.212 -7.654 1.00 15.00 H new ATOM 0 HD1 TYR B 227 -5.337 2.871 -4.564 1.00 15.00 H new ATOM 0 HD2 TYR B 227 -7.722 3.248 -8.069 1.00 15.00 H new ATOM 0 HE1 TYR B 227 -5.945 5.145 -3.895 1.00 15.00 H new ATOM 0 HE2 TYR B 227 -8.317 5.540 -7.419 1.00 15.00 H new ATOM 0 HH TYR B 227 -8.097 7.151 -5.925 1.00 15.00 H new ATOM 634 N LEU B 228 -7.431 1.217 -3.624 1.00 15.00 N ATOM 635 CA LEU B 228 -8.335 1.076 -2.502 1.00 15.00 C ATOM 636 C LEU B 228 -8.127 2.198 -1.497 1.00 15.00 C ATOM 637 O LEU B 228 -7.050 2.788 -1.448 1.00 15.00 O ATOM 638 CB LEU B 228 -8.149 -0.276 -1.804 1.00 15.00 C ATOM 639 CG LEU B 228 -8.841 -1.466 -2.476 1.00 15.00 C ATOM 640 CD1 LEU B 228 -8.597 -2.738 -1.679 1.00 15.00 C ATOM 641 CD2 LEU B 228 -10.334 -1.205 -2.623 1.00 15.00 C ATOM 0 H LEU B 228 -6.551 1.668 -3.375 1.00 15.00 H new ATOM 0 HA LEU B 228 -9.350 1.130 -2.895 1.00 15.00 H new ATOM 0 HB2 LEU B 228 -7.082 -0.488 -1.739 1.00 15.00 H new ATOM 0 HB3 LEU B 228 -8.520 -0.192 -0.782 1.00 15.00 H new ATOM 0 HG LEU B 228 -8.418 -1.595 -3.472 1.00 15.00 H new ATOM 0 HD11 LEU B 228 -9.095 -3.575 -2.168 1.00 15.00 H new ATOM 0 HD12 LEU B 228 -7.526 -2.934 -1.625 1.00 15.00 H new ATOM 0 HD13 LEU B 228 -8.995 -2.618 -0.671 1.00 15.00 H new ATOM 0 HD21 LEU B 228 -10.808 -2.062 -3.102 1.00 15.00 H new ATOM 0 HD22 LEU B 228 -10.775 -1.051 -1.638 1.00 15.00 H new ATOM 0 HD23 LEU B 228 -10.489 -0.316 -3.234 1.00 15.00 H new ATOM 653 N PRO B 229 -9.155 2.573 -0.736 1.00 15.00 N ATOM 654 CA PRO B 229 -8.923 3.365 0.451 1.00 15.00 C ATOM 655 C PRO B 229 -8.663 2.384 1.592 1.00 15.00 C ATOM 656 O PRO B 229 -9.200 1.277 1.595 1.00 15.00 O ATOM 657 CB PRO B 229 -10.247 4.113 0.662 1.00 15.00 C ATOM 658 CG PRO B 229 -11.242 3.513 -0.289 1.00 15.00 C ATOM 659 CD PRO B 229 -10.585 2.336 -0.967 1.00 15.00 C ATOM 0 HA PRO B 229 -8.083 4.057 0.388 1.00 15.00 H new ATOM 0 HB2 PRO B 229 -10.588 4.012 1.692 1.00 15.00 H new ATOM 0 HB3 PRO B 229 -10.123 5.179 0.470 1.00 15.00 H new ATOM 0 HG2 PRO B 229 -12.137 3.194 0.246 1.00 15.00 H new ATOM 0 HG3 PRO B 229 -11.557 4.251 -1.027 1.00 15.00 H new ATOM 0 HD2 PRO B 229 -10.911 1.389 -0.536 1.00 15.00 H new ATOM 0 HD3 PRO B 229 -10.821 2.300 -2.031 1.00 15.00 H new ATOM 667 N PRO B 230 -7.861 2.772 2.588 1.00 15.00 N ATOM 668 CA PRO B 230 -6.974 1.838 3.272 1.00 15.00 C ATOM 669 C PRO B 230 -7.592 1.129 4.462 1.00 15.00 C ATOM 670 O PRO B 230 -8.447 1.666 5.173 1.00 15.00 O ATOM 671 CB PRO B 230 -5.827 2.746 3.746 1.00 15.00 C ATOM 672 CG PRO B 230 -6.243 4.161 3.449 1.00 15.00 C ATOM 673 CD PRO B 230 -7.706 4.124 3.109 1.00 15.00 C ATOM 0 HA PRO B 230 -6.686 1.024 2.607 1.00 15.00 H new ATOM 0 HB2 PRO B 230 -5.643 2.613 4.812 1.00 15.00 H new ATOM 0 HB3 PRO B 230 -4.899 2.499 3.229 1.00 15.00 H new ATOM 0 HG2 PRO B 230 -6.063 4.805 4.310 1.00 15.00 H new ATOM 0 HG3 PRO B 230 -5.664 4.568 2.620 1.00 15.00 H new ATOM 0 HD2 PRO B 230 -8.333 4.299 3.983 1.00 15.00 H new ATOM 0 HD3 PRO B 230 -7.972 4.879 2.370 1.00 15.00 H new ATOM 681 N GLU B 231 -7.092 -0.082 4.681 1.00 15.00 N ATOM 682 CA GLU B 231 -7.739 -1.050 5.560 1.00 15.00 C ATOM 683 C GLU B 231 -7.084 -1.073 6.929 1.00 15.00 C ATOM 684 O GLU B 231 -5.889 -0.817 7.070 1.00 15.00 O ATOM 685 CB GLU B 231 -7.779 -2.452 4.929 1.00 15.00 C ATOM 686 CG GLU B 231 -6.535 -2.874 4.208 1.00 15.00 C ATOM 687 CD GLU B 231 -6.748 -4.138 3.396 1.00 15.00 C ATOM 688 OE1 GLU B 231 -6.689 -5.243 3.979 1.00 15.00 O ATOM 689 OE2 GLU B 231 -6.983 -4.031 2.173 1.00 15.00 O1- ATOM 0 H GLU B 231 -6.229 -0.420 4.256 1.00 15.00 H new ATOM 0 HA GLU B 231 -8.772 -0.730 5.695 1.00 15.00 H new ATOM 0 HB2 GLU B 231 -7.986 -3.179 5.715 1.00 15.00 H new ATOM 0 HB3 GLU B 231 -8.614 -2.492 4.230 1.00 15.00 H new ATOM 0 HG2 GLU B 231 -6.208 -2.070 3.548 1.00 15.00 H new ATOM 0 HG3 GLU B 231 -5.735 -3.038 4.930 1.00 15.00 H new ATOM 696 N ASP B 232 -7.888 -1.392 7.925 1.00 15.00 N ATOM 697 CA ASP B 232 -7.516 -1.200 9.323 1.00 15.00 C ATOM 698 C ASP B 232 -7.047 -2.491 10.013 1.00 15.00 C ATOM 699 O ASP B 232 -6.008 -2.483 10.678 1.00 15.00 O ATOM 700 CB ASP B 232 -8.697 -0.594 10.087 1.00 15.00 C ATOM 701 CG ASP B 232 -8.328 -0.137 11.483 1.00 15.00 C ATOM 702 OD1 ASP B 232 -8.434 -0.944 12.425 1.00 15.00 O ATOM 703 OD2 ASP B 232 -7.952 1.044 11.640 1.00 15.00 O1- ATOM 0 H ASP B 232 -8.817 -1.791 7.793 1.00 15.00 H new ATOM 0 HA ASP B 232 -6.664 -0.520 9.335 1.00 15.00 H new ATOM 0 HB2 ASP B 232 -9.089 0.254 9.525 1.00 15.00 H new ATOM 0 HB3 ASP B 232 -9.497 -1.331 10.152 1.00 15.00 H new ATOM 708 N PRO B 233 -7.800 -3.610 9.907 1.00 15.00 N ATOM 709 CA PRO B 233 -7.451 -4.845 10.588 1.00 15.00 C ATOM 710 C PRO B 233 -6.596 -5.778 9.730 1.00 15.00 C ATOM 711 O PRO B 233 -7.168 -6.593 8.972 1.00 15.00 O ATOM 712 CB PRO B 233 -8.815 -5.465 10.877 1.00 15.00 C ATOM 713 CG PRO B 233 -9.735 -4.938 9.819 1.00 15.00 C ATOM 714 CD PRO B 233 -9.043 -3.777 9.144 1.00 15.00 C ATOM 715 OXT PRO B 233 -5.356 -5.714 9.843 1.00 15.00 O ATOM 0 HA PRO B 233 -6.844 -4.669 11.476 1.00 15.00 H new ATOM 0 HB2 PRO B 233 -8.765 -6.553 10.845 1.00 15.00 H new ATOM 0 HB3 PRO B 233 -9.166 -5.192 11.872 1.00 15.00 H new ATOM 0 HG2 PRO B 233 -9.970 -5.717 9.094 1.00 15.00 H new ATOM 0 HG3 PRO B 233 -10.679 -4.617 10.259 1.00 15.00 H new ATOM 0 HD2 PRO B 233 -8.841 -3.989 8.094 1.00 15.00 H new ATOM 0 HD3 PRO B 233 -9.655 -2.875 9.175 1.00 15.00 H new