USER MOD reduce.3.24.130724 H: found=0, std=0, add=342, rem=0, adj=12 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= -2.86! K(o=-4!,f=-0.21) USER MOD Set 1.2: B 227 TYR OH : rot 180:sc= -1.12 USER MOD Set 2.1: A 250 ASN : amide:sc= -3.4! C(o=-6.3!,f=-11!) USER MOD Set 2.2: A 253 ASN : amide:sc= -2.92! K(o=-6.3!,f=-1.1) USER MOD Set 3.1: A 238 GLN : amide:sc= -0.331 X(o=0.9,f=0.74) USER MOD Set 3.2: A 248 TYR OH : rot -90:sc= 1.23 USER MOD Single : A 240 MET CE :methyl -134:sc= -0.121 (180deg=-0.718) USER MOD Single : A 241 THR OG1 : rot -175:sc= -0.363 USER MOD Single : A 242 GLN : amide:sc= -1.25! C(o=-1.3!,f=-4.9!) USER MOD Single : A 247 TYR OH : rot -30:sc= -2.75! USER MOD Single : A 252 LYS NZ :NH3+ 169:sc= 0.864 (180deg=0.841) USER MOD Single : A 254 LYS NZ :NH3+ -166:sc= -0.0025 (180deg=-0.129) USER MOD Single : A 255 THR OG1 : rot 172:sc= -3.14! USER MOD Single : A 256 THR OG1 : rot -149:sc= -1.5! USER MOD Single : A 257 SER OG : rot 180:sc= 0 USER MOD Single : B 222 THR OG1 : rot -30:sc= 0.223 USER MOD ----------------------------------------------------------------- ATOM 8 N PRO A 231 6.939 5.295 7.017 1.00 15.00 N ATOM 9 CA PRO A 231 7.200 6.631 6.536 1.00 15.00 C ATOM 10 C PRO A 231 7.069 6.662 5.024 1.00 15.00 C ATOM 11 O PRO A 231 8.008 6.314 4.306 1.00 15.00 O ATOM 12 CB PRO A 231 8.661 6.842 6.966 1.00 15.00 C ATOM 13 CG PRO A 231 9.224 5.452 7.175 1.00 15.00 C ATOM 14 CD PRO A 231 8.129 4.479 6.799 1.00 15.00 C ATOM 0 HA PRO A 231 6.521 7.394 6.917 1.00 15.00 H new ATOM 0 HB2 PRO A 231 9.221 7.382 6.203 1.00 15.00 H new ATOM 0 HB3 PRO A 231 8.720 7.431 7.881 1.00 15.00 H new ATOM 0 HG2 PRO A 231 10.109 5.296 6.558 1.00 15.00 H new ATOM 0 HG3 PRO A 231 9.529 5.310 8.212 1.00 15.00 H new ATOM 0 HD2 PRO A 231 8.214 4.143 5.766 1.00 15.00 H new ATOM 0 HD3 PRO A 231 8.137 3.587 7.426 1.00 15.00 H new ATOM 22 N LEU A 232 5.888 6.997 4.529 1.00 15.00 N ATOM 23 CA LEU A 232 5.624 6.758 3.125 1.00 15.00 C ATOM 24 C LEU A 232 6.118 7.908 2.276 1.00 15.00 C ATOM 25 O LEU A 232 6.285 9.019 2.769 1.00 15.00 O ATOM 26 CB LEU A 232 4.148 6.485 2.802 1.00 15.00 C ATOM 27 CG LEU A 232 3.451 5.368 3.595 1.00 15.00 C ATOM 28 CD1 LEU A 232 4.409 4.527 4.425 1.00 15.00 C ATOM 29 CD2 LEU A 232 2.367 5.936 4.480 1.00 15.00 C ATOM 0 H LEU A 232 5.125 7.419 5.057 1.00 15.00 H new ATOM 0 HA LEU A 232 6.174 5.848 2.885 1.00 15.00 H new ATOM 0 HB2 LEU A 232 3.591 7.409 2.959 1.00 15.00 H new ATOM 0 HB3 LEU A 232 4.073 6.244 1.742 1.00 15.00 H new ATOM 0 HG LEU A 232 3.010 4.704 2.852 1.00 15.00 H new ATOM 0 HD11 LEU A 232 3.850 3.758 4.958 1.00 15.00 H new ATOM 0 HD12 LEU A 232 5.140 4.055 3.769 1.00 15.00 H new ATOM 0 HD13 LEU A 232 4.924 5.165 5.143 1.00 15.00 H new ATOM 0 HD21 LEU A 232 1.887 5.128 5.032 1.00 15.00 H new ATOM 0 HD22 LEU A 232 2.805 6.645 5.183 1.00 15.00 H new ATOM 0 HD23 LEU A 232 1.625 6.446 3.865 1.00 15.00 H new ATOM 41 N PRO A 233 6.315 7.662 0.974 1.00 15.00 N ATOM 42 CA PRO A 233 6.907 8.646 0.066 1.00 15.00 C ATOM 43 C PRO A 233 6.030 9.886 -0.100 1.00 15.00 C ATOM 44 O PRO A 233 6.504 11.021 -0.062 1.00 15.00 O ATOM 45 CB PRO A 233 6.992 7.881 -1.256 1.00 15.00 C ATOM 46 CG PRO A 233 6.910 6.431 -0.880 1.00 15.00 C ATOM 47 CD PRO A 233 5.946 6.423 0.255 1.00 15.00 C ATOM 0 HA PRO A 233 7.863 9.020 0.431 1.00 15.00 H new ATOM 0 HB2 PRO A 233 6.178 8.160 -1.925 1.00 15.00 H new ATOM 0 HB3 PRO A 233 7.923 8.100 -1.778 1.00 15.00 H new ATOM 0 HG2 PRO A 233 6.558 5.820 -1.711 1.00 15.00 H new ATOM 0 HG3 PRO A 233 7.882 6.037 -0.584 1.00 15.00 H new ATOM 0 HD2 PRO A 233 4.911 6.442 -0.087 1.00 15.00 H new ATOM 0 HD3 PRO A 233 6.059 5.538 0.881 1.00 15.00 H new ATOM 55 N ASP A 234 4.745 9.647 -0.301 1.00 15.00 N ATOM 56 CA ASP A 234 3.771 10.718 -0.463 1.00 15.00 C ATOM 57 C ASP A 234 2.863 10.797 0.750 1.00 15.00 C ATOM 58 O ASP A 234 2.053 11.717 0.877 1.00 15.00 O ATOM 59 CB ASP A 234 2.921 10.500 -1.717 1.00 15.00 C ATOM 60 CG ASP A 234 3.743 10.464 -2.987 1.00 15.00 C ATOM 61 OD1 ASP A 234 4.166 11.541 -3.456 1.00 15.00 O1- ATOM 62 OD2 ASP A 234 3.957 9.357 -3.521 1.00 15.00 O ATOM 0 H ASP A 234 4.347 8.710 -0.357 1.00 15.00 H new ATOM 0 HA ASP A 234 4.321 11.653 -0.567 1.00 15.00 H new ATOM 0 HB2 ASP A 234 2.372 9.564 -1.619 1.00 15.00 H new ATOM 0 HB3 ASP A 234 2.181 11.297 -1.791 1.00 15.00 H new ATOM 67 N GLY A 235 2.974 9.797 1.614 1.00 15.00 N ATOM 68 CA GLY A 235 2.028 9.643 2.700 1.00 15.00 C ATOM 69 C GLY A 235 0.862 8.781 2.276 1.00 15.00 C ATOM 70 O GLY A 235 -0.295 9.161 2.430 1.00 15.00 O ATOM 0 H GLY A 235 3.706 9.087 1.581 1.00 15.00 H new ATOM 0 HA2 GLY A 235 2.525 9.194 3.560 1.00 15.00 H new ATOM 0 HA3 GLY A 235 1.667 10.622 3.016 1.00 15.00 H new ATOM 74 N TRP A 236 1.179 7.618 1.725 1.00 15.00 N ATOM 75 CA TRP A 236 0.168 6.721 1.197 1.00 15.00 C ATOM 76 C TRP A 236 0.252 5.355 1.847 1.00 15.00 C ATOM 77 O TRP A 236 1.336 4.856 2.067 1.00 15.00 O ATOM 78 CB TRP A 236 0.276 6.629 -0.308 1.00 15.00 C ATOM 79 CG TRP A 236 1.630 6.328 -0.918 1.00 15.00 C ATOM 80 CD1 TRP A 236 2.763 7.117 -0.982 1.00 15.00 C ATOM 81 CD2 TRP A 236 1.956 5.146 -1.661 1.00 15.00 C ATOM 82 NE1 TRP A 236 3.665 6.535 -1.804 1.00 15.00 N ATOM 83 CE2 TRP A 236 3.227 5.319 -2.193 1.00 15.00 C ATOM 84 CE3 TRP A 236 1.299 3.968 -1.946 1.00 15.00 C ATOM 85 CZ2 TRP A 236 3.841 4.364 -2.994 1.00 15.00 C ATOM 86 CZ3 TRP A 236 1.940 3.035 -2.744 1.00 15.00 C ATOM 87 CH2 TRP A 236 3.181 3.229 -3.248 1.00 15.00 C ATOM 0 H TRP A 236 2.135 7.274 1.633 1.00 15.00 H new ATOM 0 HA TRP A 236 -0.813 7.131 1.438 1.00 15.00 H new ATOM 0 HB2 TRP A 236 -0.418 5.858 -0.644 1.00 15.00 H new ATOM 0 HB3 TRP A 236 -0.072 7.574 -0.724 1.00 15.00 H new ATOM 0 HD1 TRP A 236 2.905 8.051 -0.458 1.00 15.00 H new ATOM 0 HE1 TRP A 236 4.550 6.955 -2.089 1.00 15.00 H new ATOM 0 HE3 TRP A 236 0.310 3.778 -1.557 1.00 15.00 H new ATOM 0 HZ2 TRP A 236 4.827 4.534 -3.401 1.00 15.00 H new ATOM 0 HZ3 TRP A 236 1.427 2.113 -2.974 1.00 15.00 H new ATOM 0 HH2 TRP A 236 3.640 2.465 -3.857 1.00 15.00 H new ATOM 98 N GLU A 237 -0.863 4.660 1.962 1.00 15.00 N ATOM 99 CA GLU A 237 -1.075 3.813 3.123 1.00 15.00 C ATOM 100 C GLU A 237 -0.538 2.426 2.941 1.00 15.00 C ATOM 101 O GLU A 237 -0.678 1.779 1.903 1.00 15.00 O ATOM 102 CB GLU A 237 -2.566 3.744 3.442 1.00 15.00 C ATOM 103 CG GLU A 237 -2.956 2.837 4.610 1.00 15.00 C ATOM 104 CD GLU A 237 -2.370 3.298 5.933 1.00 15.00 C ATOM 105 OE1 GLU A 237 -1.142 3.178 6.129 1.00 15.00 O1- ATOM 106 OE2 GLU A 237 -3.142 3.806 6.775 1.00 15.00 O ATOM 0 H GLU A 237 -1.623 4.662 1.282 1.00 15.00 H new ATOM 0 HA GLU A 237 -0.526 4.264 3.950 1.00 15.00 H new ATOM 0 HB2 GLU A 237 -2.919 4.753 3.656 1.00 15.00 H new ATOM 0 HB3 GLU A 237 -3.094 3.404 2.551 1.00 15.00 H new ATOM 0 HG2 GLU A 237 -4.042 2.803 4.691 1.00 15.00 H new ATOM 0 HG3 GLU A 237 -2.620 1.821 4.403 1.00 15.00 H new ATOM 113 N GLN A 238 0.043 2.003 4.036 1.00 15.00 N ATOM 114 CA GLN A 238 0.800 0.781 4.135 1.00 15.00 C ATOM 115 C GLN A 238 0.258 -0.065 5.274 1.00 15.00 C ATOM 116 O GLN A 238 0.361 0.296 6.448 1.00 15.00 O ATOM 117 CB GLN A 238 2.288 1.097 4.322 1.00 15.00 C ATOM 118 CG GLN A 238 3.091 -0.021 4.943 1.00 15.00 C ATOM 119 CD GLN A 238 3.768 0.406 6.230 1.00 15.00 C ATOM 120 OE1 GLN A 238 4.898 0.895 6.222 1.00 15.00 O ATOM 121 NE2 GLN A 238 3.076 0.238 7.346 1.00 15.00 N ATOM 0 H GLN A 238 -0.000 2.519 4.915 1.00 15.00 H new ATOM 0 HA GLN A 238 0.698 0.210 3.212 1.00 15.00 H new ATOM 0 HB2 GLN A 238 2.719 1.342 3.351 1.00 15.00 H new ATOM 0 HB3 GLN A 238 2.382 1.986 4.946 1.00 15.00 H new ATOM 0 HG2 GLN A 238 2.436 -0.869 5.143 1.00 15.00 H new ATOM 0 HG3 GLN A 238 3.845 -0.362 4.234 1.00 15.00 H new ATOM 0 HE21 GLN A 238 2.142 -0.171 7.310 1.00 15.00 H new ATOM 0 HE22 GLN A 238 3.477 0.518 8.241 1.00 15.00 H new ATOM 130 N ALA A 239 -0.325 -1.190 4.913 1.00 15.00 N ATOM 131 CA ALA A 239 -1.039 -2.021 5.858 1.00 15.00 C ATOM 132 C ALA A 239 -0.750 -3.491 5.604 1.00 15.00 C ATOM 133 O ALA A 239 -0.469 -3.888 4.476 1.00 15.00 O ATOM 134 CB ALA A 239 -2.522 -1.739 5.774 1.00 15.00 C ATOM 0 H ALA A 239 -0.317 -1.552 3.959 1.00 15.00 H new ATOM 0 HA ALA A 239 -0.697 -1.783 6.865 1.00 15.00 H new ATOM 0 HB1 ALA A 239 -3.053 -2.368 6.488 1.00 15.00 H new ATOM 0 HB2 ALA A 239 -2.707 -0.690 6.007 1.00 15.00 H new ATOM 0 HB3 ALA A 239 -2.877 -1.955 4.766 1.00 15.00 H new ATOM 140 N MET A 240 -0.801 -4.291 6.656 1.00 15.00 N ATOM 141 CA MET A 240 -0.430 -5.694 6.564 1.00 15.00 C ATOM 142 C MET A 240 -1.630 -6.563 6.205 1.00 15.00 C ATOM 143 O MET A 240 -2.665 -6.523 6.867 1.00 15.00 O ATOM 144 CB MET A 240 0.173 -6.163 7.891 1.00 15.00 C ATOM 145 CG MET A 240 1.469 -5.459 8.255 1.00 15.00 C ATOM 146 SD MET A 240 2.080 -5.917 9.889 1.00 15.00 S ATOM 147 CE MET A 240 0.781 -5.262 10.939 1.00 15.00 C ATOM 0 H MET A 240 -1.096 -3.993 7.586 1.00 15.00 H new ATOM 0 HA MET A 240 0.311 -5.795 5.771 1.00 15.00 H new ATOM 0 HB2 MET A 240 -0.554 -6.002 8.687 1.00 15.00 H new ATOM 0 HB3 MET A 240 0.355 -7.236 7.838 1.00 15.00 H new ATOM 0 HG2 MET A 240 2.228 -5.696 7.509 1.00 15.00 H new ATOM 0 HG3 MET A 240 1.313 -4.381 8.220 1.00 15.00 H new ATOM 0 HE1 MET A 240 1.226 -4.721 11.774 1.00 15.00 H new ATOM 0 HE2 MET A 240 0.153 -4.584 10.361 1.00 15.00 H new ATOM 0 HE3 MET A 240 0.173 -6.082 11.320 1.00 15.00 H new ATOM 157 N THR A 241 -1.463 -7.354 5.159 1.00 15.00 N ATOM 158 CA THR A 241 -2.478 -8.291 4.720 1.00 15.00 C ATOM 159 C THR A 241 -2.264 -9.609 5.427 1.00 15.00 C ATOM 160 O THR A 241 -1.123 -9.945 5.759 1.00 15.00 O ATOM 161 CB THR A 241 -2.409 -8.557 3.198 1.00 15.00 C ATOM 162 OG1 THR A 241 -1.340 -9.466 2.908 1.00 15.00 O ATOM 163 CG2 THR A 241 -2.162 -7.281 2.425 1.00 15.00 C ATOM 0 H THR A 241 -0.617 -7.363 4.590 1.00 15.00 H new ATOM 0 HA THR A 241 -3.449 -7.855 4.954 1.00 15.00 H new ATOM 0 HB THR A 241 -3.368 -8.980 2.898 1.00 15.00 H new ATOM 0 HG1 THR A 241 -1.252 -9.569 1.937 1.00 15.00 H new ATOM 0 HG21 THR A 241 -2.119 -7.504 1.359 1.00 15.00 H new ATOM 0 HG22 THR A 241 -2.972 -6.577 2.616 1.00 15.00 H new ATOM 0 HG23 THR A 241 -1.217 -6.841 2.742 1.00 15.00 H new ATOM 171 N GLN A 242 -3.352 -10.340 5.647 1.00 15.00 N ATOM 172 CA GLN A 242 -3.317 -11.660 6.280 1.00 15.00 C ATOM 173 C GLN A 242 -2.460 -12.605 5.460 1.00 15.00 C ATOM 174 O GLN A 242 -1.848 -13.543 5.975 1.00 15.00 O ATOM 175 CB GLN A 242 -4.723 -12.246 6.378 1.00 15.00 C ATOM 176 CG GLN A 242 -5.711 -11.407 7.170 1.00 15.00 C ATOM 177 CD GLN A 242 -6.044 -10.070 6.528 1.00 15.00 C ATOM 178 OE1 GLN A 242 -6.055 -9.934 5.304 1.00 15.00 O ATOM 179 NE2 GLN A 242 -6.301 -9.071 7.349 1.00 15.00 N ATOM 0 H GLN A 242 -4.291 -10.034 5.391 1.00 15.00 H new ATOM 0 HA GLN A 242 -2.899 -11.544 7.280 1.00 15.00 H new ATOM 0 HB2 GLN A 242 -5.114 -12.386 5.370 1.00 15.00 H new ATOM 0 HB3 GLN A 242 -4.658 -13.233 6.835 1.00 15.00 H new ATOM 0 HG2 GLN A 242 -6.632 -11.975 7.299 1.00 15.00 H new ATOM 0 HG3 GLN A 242 -5.304 -11.229 8.165 1.00 15.00 H new ATOM 0 HE21 GLN A 242 -6.282 -9.222 8.358 1.00 15.00 H new ATOM 0 HE22 GLN A 242 -6.518 -8.147 6.976 1.00 15.00 H new ATOM 188 N ASP A 243 -2.479 -12.357 4.164 1.00 15.00 N ATOM 189 CA ASP A 243 -1.607 -13.040 3.203 1.00 15.00 C ATOM 190 C ASP A 243 -0.136 -12.787 3.540 1.00 15.00 C ATOM 191 O ASP A 243 0.768 -13.470 3.057 1.00 15.00 O ATOM 192 CB ASP A 243 -1.908 -12.522 1.801 1.00 15.00 C ATOM 193 CG ASP A 243 -1.160 -13.265 0.711 1.00 15.00 C ATOM 194 OD1 ASP A 243 -0.987 -14.493 0.830 1.00 15.00 O ATOM 195 OD2 ASP A 243 -0.779 -12.624 -0.292 1.00 15.00 O1- ATOM 0 H ASP A 243 -3.102 -11.672 3.736 1.00 15.00 H new ATOM 0 HA ASP A 243 -1.794 -14.113 3.252 1.00 15.00 H new ATOM 0 HB2 ASP A 243 -2.979 -12.601 1.615 1.00 15.00 H new ATOM 0 HB3 ASP A 243 -1.653 -11.464 1.750 1.00 15.00 H new ATOM 200 N GLY A 244 0.075 -11.784 4.366 1.00 15.00 N ATOM 201 CA GLY A 244 1.392 -11.455 4.860 1.00 15.00 C ATOM 202 C GLY A 244 2.109 -10.466 3.976 1.00 15.00 C ATOM 203 O GLY A 244 3.279 -10.654 3.654 1.00 15.00 O ATOM 0 H GLY A 244 -0.665 -11.174 4.714 1.00 15.00 H new ATOM 0 HA2 GLY A 244 1.307 -11.044 5.866 1.00 15.00 H new ATOM 0 HA3 GLY A 244 1.986 -12.366 4.937 1.00 15.00 H new ATOM 207 N GLU A 245 1.413 -9.397 3.593 1.00 15.00 N ATOM 208 CA GLU A 245 2.029 -8.372 2.749 1.00 15.00 C ATOM 209 C GLU A 245 1.748 -6.983 3.280 1.00 15.00 C ATOM 210 O GLU A 245 0.602 -6.598 3.458 1.00 15.00 O ATOM 211 CB GLU A 245 1.530 -8.463 1.310 1.00 15.00 C ATOM 212 CG GLU A 245 2.020 -9.693 0.565 1.00 15.00 C ATOM 213 CD GLU A 245 3.531 -9.771 0.501 1.00 15.00 C ATOM 214 OE1 GLU A 245 4.171 -8.753 0.169 1.00 15.00 O ATOM 215 OE2 GLU A 245 4.087 -10.855 0.764 1.00 15.00 O1- ATOM 0 H GLU A 245 0.441 -9.218 3.847 1.00 15.00 H new ATOM 0 HA GLU A 245 3.104 -8.554 2.767 1.00 15.00 H new ATOM 0 HB2 GLU A 245 0.440 -8.462 1.313 1.00 15.00 H new ATOM 0 HB3 GLU A 245 1.848 -7.572 0.769 1.00 15.00 H new ATOM 0 HG2 GLU A 245 1.634 -10.587 1.054 1.00 15.00 H new ATOM 0 HG3 GLU A 245 1.617 -9.684 -0.448 1.00 15.00 H new ATOM 222 N ILE A 246 2.790 -6.223 3.516 1.00 15.00 N ATOM 223 CA ILE A 246 2.631 -4.867 3.992 1.00 15.00 C ATOM 224 C ILE A 246 2.553 -3.905 2.788 1.00 15.00 C ATOM 225 O ILE A 246 3.558 -3.398 2.297 1.00 15.00 O ATOM 226 CB ILE A 246 3.757 -4.521 5.002 1.00 15.00 C ATOM 227 CG1 ILE A 246 3.568 -3.132 5.595 1.00 15.00 C ATOM 228 CG2 ILE A 246 5.138 -4.658 4.378 1.00 15.00 C ATOM 229 CD1 ILE A 246 4.525 -2.833 6.731 1.00 15.00 C ATOM 0 H ILE A 246 3.758 -6.519 3.387 1.00 15.00 H new ATOM 0 HA ILE A 246 1.695 -4.758 4.539 1.00 15.00 H new ATOM 0 HB ILE A 246 3.687 -5.246 5.813 1.00 15.00 H new ATOM 0 HG12 ILE A 246 3.702 -2.388 4.810 1.00 15.00 H new ATOM 0 HG13 ILE A 246 2.544 -3.034 5.956 1.00 15.00 H new ATOM 0 HG21 ILE A 246 5.898 -4.407 5.118 1.00 15.00 H new ATOM 0 HG22 ILE A 246 5.285 -5.684 4.041 1.00 15.00 H new ATOM 0 HG23 ILE A 246 5.222 -3.981 3.528 1.00 15.00 H new ATOM 0 HD11 ILE A 246 4.338 -1.828 7.109 1.00 15.00 H new ATOM 0 HD12 ILE A 246 4.375 -3.556 7.533 1.00 15.00 H new ATOM 0 HD13 ILE A 246 5.551 -2.899 6.369 1.00 15.00 H new ATOM 241 N TYR A 247 1.318 -3.672 2.332 1.00 15.00 N ATOM 242 CA TYR A 247 1.048 -3.089 1.010 1.00 15.00 C ATOM 243 C TYR A 247 0.985 -1.557 1.055 1.00 15.00 C ATOM 244 O TYR A 247 0.596 -0.982 2.061 1.00 15.00 O ATOM 245 CB TYR A 247 -0.286 -3.645 0.450 1.00 15.00 C ATOM 246 CG TYR A 247 -1.528 -2.942 0.980 1.00 15.00 C ATOM 247 CD1 TYR A 247 -1.856 -1.677 0.521 1.00 15.00 C ATOM 248 CD2 TYR A 247 -2.349 -3.520 1.942 1.00 15.00 C ATOM 249 CE1 TYR A 247 -2.946 -0.998 0.997 1.00 15.00 C ATOM 250 CE2 TYR A 247 -3.456 -2.847 2.436 1.00 15.00 C ATOM 251 CZ TYR A 247 -3.747 -1.579 1.959 1.00 15.00 C ATOM 252 OH TYR A 247 -4.833 -0.895 2.452 1.00 15.00 O ATOM 0 H TYR A 247 0.476 -3.882 2.868 1.00 15.00 H new ATOM 0 HA TYR A 247 1.874 -3.369 0.357 1.00 15.00 H new ATOM 0 HB2 TYR A 247 -0.272 -3.564 -0.637 1.00 15.00 H new ATOM 0 HB3 TYR A 247 -0.353 -4.706 0.689 1.00 15.00 H new ATOM 0 HD1 TYR A 247 -1.236 -1.214 -0.232 1.00 15.00 H new ATOM 0 HD2 TYR A 247 -2.121 -4.509 2.310 1.00 15.00 H new ATOM 0 HE1 TYR A 247 -3.178 -0.012 0.621 1.00 15.00 H new ATOM 0 HE2 TYR A 247 -4.085 -3.306 3.185 1.00 15.00 H new ATOM 0 HH TYR A 247 -4.654 0.068 2.423 1.00 15.00 H new ATOM 262 N TYR A 248 1.352 -0.926 -0.059 1.00 15.00 N ATOM 263 CA TYR A 248 1.267 0.531 -0.240 1.00 15.00 C ATOM 264 C TYR A 248 0.220 0.911 -1.299 1.00 15.00 C ATOM 265 O TYR A 248 0.331 0.504 -2.449 1.00 15.00 O ATOM 266 CB TYR A 248 2.639 1.046 -0.614 1.00 15.00 C ATOM 267 CG TYR A 248 3.559 1.128 0.575 1.00 15.00 C ATOM 268 CD1 TYR A 248 4.224 -0.003 1.028 1.00 15.00 C ATOM 269 CD2 TYR A 248 3.779 2.335 1.238 1.00 15.00 C ATOM 270 CE1 TYR A 248 5.079 0.061 2.106 1.00 15.00 C ATOM 271 CE2 TYR A 248 4.640 2.398 2.304 1.00 15.00 C ATOM 272 CZ TYR A 248 5.285 1.263 2.739 1.00 15.00 C ATOM 273 OH TYR A 248 6.155 1.334 3.805 1.00 15.00 O ATOM 0 H TYR A 248 1.722 -1.414 -0.875 1.00 15.00 H new ATOM 0 HA TYR A 248 0.942 0.993 0.692 1.00 15.00 H new ATOM 0 HB2 TYR A 248 3.078 0.391 -1.367 1.00 15.00 H new ATOM 0 HB3 TYR A 248 2.544 2.033 -1.066 1.00 15.00 H new ATOM 0 HD1 TYR A 248 4.069 -0.947 0.528 1.00 15.00 H new ATOM 0 HD2 TYR A 248 3.267 3.228 0.909 1.00 15.00 H new ATOM 0 HE1 TYR A 248 5.585 -0.829 2.452 1.00 15.00 H new ATOM 0 HE2 TYR A 248 4.812 3.340 2.803 1.00 15.00 H new ATOM 0 HH TYR A 248 5.665 1.173 4.638 1.00 15.00 H new ATOM 283 N ILE A 249 -0.811 1.674 -0.907 1.00 15.00 N ATOM 284 CA ILE A 249 -1.766 2.245 -1.876 1.00 15.00 C ATOM 285 C ILE A 249 -1.802 3.763 -1.777 1.00 15.00 C ATOM 286 O ILE A 249 -1.825 4.327 -0.681 1.00 15.00 O ATOM 287 CB ILE A 249 -3.214 1.728 -1.720 1.00 15.00 C ATOM 288 CG1 ILE A 249 -3.731 1.936 -0.293 1.00 15.00 C ATOM 289 CG2 ILE A 249 -3.327 0.278 -2.147 1.00 15.00 C ATOM 290 CD1 ILE A 249 -5.084 1.312 -0.052 1.00 15.00 C ATOM 0 H ILE A 249 -1.006 1.910 0.066 1.00 15.00 H new ATOM 0 HA ILE A 249 -1.396 1.919 -2.848 1.00 15.00 H new ATOM 0 HB ILE A 249 -3.848 2.316 -2.383 1.00 15.00 H new ATOM 0 HG12 ILE A 249 -3.014 1.515 0.411 1.00 15.00 H new ATOM 0 HG13 ILE A 249 -3.790 3.005 -0.087 1.00 15.00 H new ATOM 0 HG21 ILE A 249 -4.357 -0.058 -2.026 1.00 15.00 H new ATOM 0 HG22 ILE A 249 -3.035 0.183 -3.193 1.00 15.00 H new ATOM 0 HG23 ILE A 249 -2.671 -0.335 -1.530 1.00 15.00 H new ATOM 0 HD11 ILE A 249 -5.391 1.496 0.977 1.00 15.00 H new ATOM 0 HD12 ILE A 249 -5.814 1.751 -0.733 1.00 15.00 H new ATOM 0 HD13 ILE A 249 -5.025 0.238 -0.227 1.00 15.00 H new ATOM 302 N ASN A 250 -1.822 4.426 -2.923 1.00 15.00 N ATOM 303 CA ASN A 250 -1.758 5.881 -2.960 1.00 15.00 C ATOM 304 C ASN A 250 -2.955 6.461 -3.697 1.00 15.00 C ATOM 305 O ASN A 250 -3.240 6.071 -4.828 1.00 15.00 O ATOM 306 CB ASN A 250 -0.472 6.327 -3.654 1.00 15.00 C ATOM 307 CG ASN A 250 -0.132 7.789 -3.406 1.00 15.00 C ATOM 308 OD1 ASN A 250 -1.001 8.604 -3.125 1.00 15.00 O ATOM 309 ND2 ASN A 250 1.140 8.128 -3.520 1.00 15.00 N ATOM 0 H ASN A 250 -1.882 3.982 -3.839 1.00 15.00 H new ATOM 0 HA ASN A 250 -1.770 6.247 -1.933 1.00 15.00 H new ATOM 0 HB2 ASN A 250 0.354 5.705 -3.309 1.00 15.00 H new ATOM 0 HB3 ASN A 250 -0.569 6.160 -4.727 1.00 15.00 H new ATOM 0 HD21 ASN A 250 1.425 9.096 -3.372 1.00 15.00 H new ATOM 0 HD22 ASN A 250 1.837 7.421 -3.756 1.00 15.00 H new ATOM 316 N HIS A 251 -3.629 7.415 -3.057 1.00 15.00 N ATOM 317 CA HIS A 251 -4.772 8.105 -3.657 1.00 15.00 C ATOM 318 C HIS A 251 -4.313 9.220 -4.590 1.00 15.00 C ATOM 319 O HIS A 251 -5.080 9.715 -5.415 1.00 15.00 O ATOM 320 CB HIS A 251 -5.701 8.659 -2.570 1.00 15.00 C ATOM 321 CG HIS A 251 -6.629 7.630 -1.992 1.00 15.00 C ATOM 322 ND1 HIS A 251 -6.243 6.690 -1.057 1.00 15.00 N ATOM 323 CD2 HIS A 251 -7.933 7.377 -2.252 1.00 15.00 C ATOM 324 CE1 HIS A 251 -7.267 5.905 -0.779 1.00 15.00 C ATOM 325 NE2 HIS A 251 -8.306 6.300 -1.490 1.00 15.00 N ATOM 0 H HIS A 251 -3.401 7.731 -2.114 1.00 15.00 H new ATOM 0 HA HIS A 251 -5.329 7.379 -4.249 1.00 15.00 H new ATOM 0 HB2 HIS A 251 -5.096 9.082 -1.768 1.00 15.00 H new ATOM 0 HB3 HIS A 251 -6.291 9.474 -2.989 1.00 15.00 H new ATOM 0 HD1 HIS A 251 -5.313 6.614 -0.646 1.00 15.00 H new ATOM 0 HD2 HIS A 251 -8.565 7.924 -2.936 1.00 15.00 H new ATOM 0 HE1 HIS A 251 -7.256 5.077 -0.085 1.00 15.00 H new ATOM 334 N LYS A 252 -3.058 9.610 -4.449 1.00 15.00 N ATOM 335 CA LYS A 252 -2.453 10.577 -5.348 1.00 15.00 C ATOM 336 C LYS A 252 -1.726 9.851 -6.475 1.00 15.00 C ATOM 337 O LYS A 252 -1.298 10.467 -7.446 1.00 15.00 O ATOM 338 CB LYS A 252 -1.479 11.490 -4.589 1.00 15.00 C ATOM 339 CG LYS A 252 -2.157 12.423 -3.596 1.00 15.00 C ATOM 340 CD LYS A 252 -1.144 13.248 -2.811 1.00 15.00 C ATOM 341 CE LYS A 252 -0.377 12.393 -1.811 1.00 15.00 C ATOM 342 NZ LYS A 252 0.647 13.181 -1.070 1.00 15.00 N1+ ATOM 0 H LYS A 252 -2.435 9.270 -3.716 1.00 15.00 H new ATOM 0 HA LYS A 252 -3.241 11.198 -5.773 1.00 15.00 H new ATOM 0 HB2 LYS A 252 -0.756 10.872 -4.057 1.00 15.00 H new ATOM 0 HB3 LYS A 252 -0.919 12.086 -5.309 1.00 15.00 H new ATOM 0 HG2 LYS A 252 -2.834 13.090 -4.129 1.00 15.00 H new ATOM 0 HG3 LYS A 252 -2.764 11.839 -2.904 1.00 15.00 H new ATOM 0 HD2 LYS A 252 -0.443 13.717 -3.502 1.00 15.00 H new ATOM 0 HD3 LYS A 252 -1.659 14.051 -2.284 1.00 15.00 H new ATOM 0 HE2 LYS A 252 -1.076 11.950 -1.102 1.00 15.00 H new ATOM 0 HE3 LYS A 252 0.109 11.570 -2.336 1.00 15.00 H new ATOM 0 HZ1 LYS A 252 1.014 12.616 -0.278 1.00 15.00 H new ATOM 0 HZ2 LYS A 252 1.428 13.426 -1.712 1.00 15.00 H new ATOM 0 HZ3 LYS A 252 0.215 14.053 -0.702 1.00 15.00 H new ATOM 356 N ASN A 253 -1.589 8.534 -6.332 1.00 15.00 N ATOM 357 CA ASN A 253 -0.902 7.733 -7.340 1.00 15.00 C ATOM 358 C ASN A 253 -1.863 6.825 -8.097 1.00 15.00 C ATOM 359 O ASN A 253 -1.553 6.387 -9.207 1.00 15.00 O ATOM 360 CB ASN A 253 0.229 6.889 -6.728 1.00 15.00 C ATOM 361 CG ASN A 253 1.602 7.460 -7.043 1.00 15.00 C ATOM 362 OD1 ASN A 253 2.220 7.100 -8.044 1.00 15.00 O ATOM 363 ND2 ASN A 253 2.091 8.355 -6.200 1.00 15.00 N ATOM 0 H ASN A 253 -1.942 8.004 -5.535 1.00 15.00 H new ATOM 0 HA ASN A 253 -0.466 8.442 -8.044 1.00 15.00 H new ATOM 0 HB2 ASN A 253 0.098 6.837 -5.647 1.00 15.00 H new ATOM 0 HB3 ASN A 253 0.165 5.869 -7.107 1.00 15.00 H new ATOM 0 HD21 ASN A 253 3.007 8.769 -6.371 1.00 15.00 H new ATOM 0 HD22 ASN A 253 1.552 8.631 -5.379 1.00 15.00 H new ATOM 370 N LYS A 254 -3.014 6.518 -7.488 1.00 15.00 N ATOM 371 CA LYS A 254 -3.981 5.590 -8.083 1.00 15.00 C ATOM 372 C LYS A 254 -3.328 4.206 -8.233 1.00 15.00 C ATOM 373 O LYS A 254 -3.679 3.410 -9.099 1.00 15.00 O ATOM 374 CB LYS A 254 -4.472 6.153 -9.435 1.00 15.00 C ATOM 375 CG LYS A 254 -5.481 5.280 -10.171 1.00 15.00 C ATOM 376 CD LYS A 254 -5.999 5.961 -11.427 1.00 15.00 C ATOM 377 CE LYS A 254 -7.053 7.007 -11.105 1.00 15.00 C ATOM 378 NZ LYS A 254 -8.337 6.386 -10.683 1.00 15.00 N1+ ATOM 0 H LYS A 254 -3.298 6.898 -6.585 1.00 15.00 H new ATOM 0 HA LYS A 254 -4.853 5.479 -7.438 1.00 15.00 H new ATOM 0 HB2 LYS A 254 -4.920 7.132 -9.262 1.00 15.00 H new ATOM 0 HB3 LYS A 254 -3.608 6.307 -10.082 1.00 15.00 H new ATOM 0 HG2 LYS A 254 -5.016 4.331 -10.437 1.00 15.00 H new ATOM 0 HG3 LYS A 254 -6.317 5.052 -9.509 1.00 15.00 H new ATOM 0 HD2 LYS A 254 -5.169 6.431 -11.955 1.00 15.00 H new ATOM 0 HD3 LYS A 254 -6.421 5.213 -12.099 1.00 15.00 H new ATOM 0 HE2 LYS A 254 -6.687 7.660 -10.312 1.00 15.00 H new ATOM 0 HE3 LYS A 254 -7.223 7.633 -11.981 1.00 15.00 H new ATOM 0 HZ1 LYS A 254 -9.091 7.102 -10.701 1.00 15.00 H new ATOM 0 HZ2 LYS A 254 -8.579 5.612 -11.334 1.00 15.00 H new ATOM 0 HZ3 LYS A 254 -8.240 6.010 -9.718 1.00 15.00 H new ATOM 392 N THR A 255 -2.411 3.902 -7.323 1.00 15.00 N ATOM 393 CA THR A 255 -1.580 2.709 -7.454 1.00 15.00 C ATOM 394 C THR A 255 -1.535 1.897 -6.176 1.00 15.00 C ATOM 395 O THR A 255 -1.664 2.424 -5.067 1.00 15.00 O ATOM 396 CB THR A 255 -0.118 3.037 -7.775 1.00 15.00 C ATOM 397 OG1 THR A 255 -0.013 4.352 -8.317 1.00 15.00 O ATOM 398 CG2 THR A 255 0.527 2.049 -8.739 1.00 15.00 C ATOM 0 H THR A 255 -2.223 4.461 -6.490 1.00 15.00 H new ATOM 0 HA THR A 255 -2.046 2.153 -8.267 1.00 15.00 H new ATOM 0 HB THR A 255 0.420 2.967 -6.830 1.00 15.00 H new ATOM 0 HG1 THR A 255 0.932 4.598 -8.397 1.00 15.00 H new ATOM 0 HG21 THR A 255 1.561 2.342 -8.922 1.00 15.00 H new ATOM 0 HG22 THR A 255 0.504 1.049 -8.305 1.00 15.00 H new ATOM 0 HG23 THR A 255 -0.022 2.048 -9.681 1.00 15.00 H new ATOM 406 N THR A 256 -1.357 0.617 -6.378 1.00 15.00 N ATOM 407 CA THR A 256 -1.055 -0.321 -5.321 1.00 15.00 C ATOM 408 C THR A 256 0.282 -0.997 -5.616 1.00 15.00 C ATOM 409 O THR A 256 0.511 -1.487 -6.725 1.00 15.00 O ATOM 410 CB THR A 256 -2.131 -1.408 -5.189 1.00 15.00 C ATOM 411 OG1 THR A 256 -3.419 -0.814 -4.998 1.00 15.00 O ATOM 412 CG2 THR A 256 -1.800 -2.330 -4.024 1.00 15.00 C ATOM 0 H THR A 256 -1.419 0.186 -7.300 1.00 15.00 H new ATOM 0 HA THR A 256 -1.017 0.238 -4.386 1.00 15.00 H new ATOM 0 HB THR A 256 -2.152 -1.993 -6.108 1.00 15.00 H new ATOM 0 HG1 THR A 256 -3.974 -1.406 -4.449 1.00 15.00 H new ATOM 0 HG21 THR A 256 -2.569 -3.098 -3.938 1.00 15.00 H new ATOM 0 HG22 THR A 256 -0.833 -2.802 -4.197 1.00 15.00 H new ATOM 0 HG23 THR A 256 -1.761 -1.751 -3.101 1.00 15.00 H new ATOM 420 N SER A 257 1.159 -1.004 -4.633 1.00 15.00 N ATOM 421 CA SER A 257 2.451 -1.648 -4.746 1.00 15.00 C ATOM 422 C SER A 257 2.657 -2.553 -3.534 1.00 15.00 C ATOM 423 O SER A 257 2.279 -2.190 -2.418 1.00 15.00 O ATOM 424 CB SER A 257 3.549 -0.579 -4.844 1.00 15.00 C ATOM 425 OG SER A 257 4.832 -1.159 -5.014 1.00 15.00 O ATOM 0 H SER A 257 0.994 -0.561 -3.729 1.00 15.00 H new ATOM 0 HA SER A 257 2.498 -2.259 -5.647 1.00 15.00 H new ATOM 0 HB2 SER A 257 3.336 0.086 -5.681 1.00 15.00 H new ATOM 0 HB3 SER A 257 3.543 0.033 -3.942 1.00 15.00 H new ATOM 0 HG SER A 257 5.506 -0.450 -5.074 1.00 15.00 H new ATOM 431 N TRP A 258 3.255 -3.721 -3.757 1.00 15.00 N ATOM 432 CA TRP A 258 3.420 -4.720 -2.703 1.00 15.00 C ATOM 433 C TRP A 258 4.234 -4.199 -1.530 1.00 15.00 C ATOM 434 O TRP A 258 3.769 -4.182 -0.398 1.00 15.00 O ATOM 435 CB TRP A 258 4.114 -5.976 -3.238 1.00 15.00 C ATOM 436 CG TRP A 258 3.199 -6.973 -3.879 1.00 15.00 C ATOM 437 CD1 TRP A 258 3.340 -7.534 -5.114 1.00 15.00 C ATOM 438 CD2 TRP A 258 2.007 -7.529 -3.319 1.00 15.00 C ATOM 439 NE1 TRP A 258 2.317 -8.418 -5.349 1.00 15.00 N ATOM 440 CE2 TRP A 258 1.484 -8.428 -4.265 1.00 15.00 C ATOM 441 CE3 TRP A 258 1.331 -7.357 -2.109 1.00 15.00 C ATOM 442 CZ2 TRP A 258 0.320 -9.150 -4.037 1.00 15.00 C ATOM 443 CZ3 TRP A 258 0.168 -8.070 -1.891 1.00 15.00 C ATOM 444 CH2 TRP A 258 -0.322 -8.959 -2.854 1.00 15.00 C ATOM 0 H TRP A 258 3.635 -4.000 -4.662 1.00 15.00 H new ATOM 0 HA TRP A 258 2.413 -4.957 -2.360 1.00 15.00 H new ATOM 0 HB2 TRP A 258 4.868 -5.676 -3.965 1.00 15.00 H new ATOM 0 HB3 TRP A 258 4.640 -6.462 -2.416 1.00 15.00 H new ATOM 0 HD1 TRP A 258 4.140 -7.315 -5.806 1.00 15.00 H new ATOM 0 HE1 TRP A 258 2.198 -8.976 -6.194 1.00 15.00 H new ATOM 0 HE3 TRP A 258 1.710 -6.680 -1.358 1.00 15.00 H new ATOM 0 HZ2 TRP A 258 -0.062 -9.840 -4.775 1.00 15.00 H new ATOM 0 HZ3 TRP A 258 -0.371 -7.939 -0.964 1.00 15.00 H new ATOM 0 HH2 TRP A 258 -1.231 -9.506 -2.653 1.00 15.00 H new ATOM 455 N LEU A 259 5.452 -3.790 -1.822 1.00 15.00 N ATOM 456 CA LEU A 259 6.435 -3.528 -0.790 1.00 15.00 C ATOM 457 C LEU A 259 6.949 -2.095 -0.780 1.00 15.00 C ATOM 458 O LEU A 259 6.812 -1.363 -1.765 1.00 15.00 O ATOM 459 CB LEU A 259 7.575 -4.525 -0.815 1.00 15.00 C ATOM 460 CG LEU A 259 7.436 -5.620 0.237 1.00 15.00 C ATOM 461 CD1 LEU A 259 8.759 -6.341 0.398 1.00 15.00 C ATOM 462 CD2 LEU A 259 6.977 -5.026 1.569 1.00 15.00 C ATOM 0 H LEU A 259 5.787 -3.631 -2.772 1.00 15.00 H new ATOM 0 HA LEU A 259 5.899 -3.661 0.150 1.00 15.00 H new ATOM 0 HB2 LEU A 259 7.627 -4.983 -1.803 1.00 15.00 H new ATOM 0 HB3 LEU A 259 8.515 -3.996 -0.658 1.00 15.00 H new ATOM 0 HG LEU A 259 6.682 -6.336 -0.089 1.00 15.00 H new ATOM 0 HD11 LEU A 259 8.658 -7.123 1.150 1.00 15.00 H new ATOM 0 HD12 LEU A 259 9.048 -6.788 -0.553 1.00 15.00 H new ATOM 0 HD13 LEU A 259 9.524 -5.631 0.713 1.00 15.00 H new ATOM 0 HD21 LEU A 259 6.883 -5.821 2.309 1.00 15.00 H new ATOM 0 HD22 LEU A 259 7.709 -4.295 1.913 1.00 15.00 H new ATOM 0 HD23 LEU A 259 6.012 -4.538 1.436 1.00 15.00 H new ATOM 474 N ASP A 260 7.545 -1.719 0.353 1.00 15.00 N ATOM 475 CA ASP A 260 7.745 -0.342 0.743 1.00 15.00 C ATOM 476 C ASP A 260 8.576 0.446 -0.251 1.00 15.00 C ATOM 477 O ASP A 260 9.715 0.110 -0.578 1.00 15.00 O ATOM 478 CB ASP A 260 8.410 -0.303 2.125 1.00 15.00 C ATOM 479 CG ASP A 260 9.637 -1.186 2.229 1.00 15.00 C ATOM 480 OD1 ASP A 260 9.511 -2.419 2.055 1.00 15.00 O ATOM 481 OD2 ASP A 260 10.724 -0.661 2.529 1.00 15.00 O1- ATOM 0 H ASP A 260 7.907 -2.387 1.034 1.00 15.00 H new ATOM 0 HA ASP A 260 6.764 0.133 0.772 1.00 15.00 H new ATOM 0 HB2 ASP A 260 8.691 0.725 2.356 1.00 15.00 H new ATOM 0 HB3 ASP A 260 7.685 -0.612 2.878 1.00 15.00 H new ATOM 486 N PRO A 261 7.975 1.551 -0.713 1.00 15.00 N ATOM 487 CA PRO A 261 8.531 2.442 -1.703 1.00 15.00 C ATOM 488 C PRO A 261 9.490 3.405 -1.130 1.00 15.00 C ATOM 489 O PRO A 261 10.171 4.217 -1.753 1.00 15.00 O ATOM 490 CB PRO A 261 7.301 3.048 -2.374 1.00 15.00 C ATOM 491 CG PRO A 261 6.325 3.157 -1.239 1.00 15.00 C ATOM 492 CD PRO A 261 6.643 2.016 -0.298 1.00 15.00 C ATOM 0 HA PRO A 261 9.158 1.940 -2.440 1.00 15.00 H new ATOM 0 HB2 PRO A 261 7.519 4.021 -2.815 1.00 15.00 H new ATOM 0 HB3 PRO A 261 6.922 2.412 -3.174 1.00 15.00 H new ATOM 0 HG2 PRO A 261 6.422 4.118 -0.733 1.00 15.00 H new ATOM 0 HG3 PRO A 261 5.299 3.089 -1.600 1.00 15.00 H new ATOM 0 HD2 PRO A 261 6.645 2.348 0.740 1.00 15.00 H new ATOM 0 HD3 PRO A 261 5.903 1.220 -0.377 1.00 15.00 H new ATOM 500 N ARG A 262 9.407 3.249 0.071 1.00 15.00 N ATOM 501 CA ARG A 262 10.042 4.086 1.091 1.00 15.00 C ATOM 502 C ARG A 262 11.507 3.696 1.265 1.00 15.00 C ATOM 503 O ARG A 262 12.282 4.416 1.896 1.00 15.00 O ATOM 504 CB ARG A 262 9.297 3.976 2.436 1.00 15.00 C ATOM 505 CG ARG A 262 9.460 2.631 3.143 1.00 15.00 C ATOM 506 CD ARG A 262 10.702 2.588 4.030 1.00 15.00 C ATOM 507 NE ARG A 262 11.119 1.217 4.333 1.00 15.00 N ATOM 508 CZ ARG A 262 11.863 0.873 5.385 1.00 15.00 C ATOM 509 NH1 ARG A 262 12.263 1.796 6.250 1.00 15.00 N1+ ATOM 510 NH2 ARG A 262 12.216 -0.395 5.566 1.00 15.00 N ATOM 0 H ARG A 262 8.863 2.488 0.477 1.00 15.00 H new ATOM 0 HA ARG A 262 9.992 5.122 0.757 1.00 15.00 H new ATOM 0 HB2 ARG A 262 9.651 4.766 3.099 1.00 15.00 H new ATOM 0 HB3 ARG A 262 8.236 4.156 2.265 1.00 15.00 H new ATOM 0 HG2 ARG A 262 8.576 2.433 3.750 1.00 15.00 H new ATOM 0 HG3 ARG A 262 9.520 1.837 2.399 1.00 15.00 H new ATOM 0 HD2 ARG A 262 11.519 3.113 3.534 1.00 15.00 H new ATOM 0 HD3 ARG A 262 10.500 3.119 4.961 1.00 15.00 H new ATOM 0 HE ARG A 262 10.821 0.477 3.698 1.00 15.00 H new ATOM 0 HH11 ARG A 262 12.002 2.772 6.112 1.00 15.00 H new ATOM 0 HH12 ARG A 262 12.832 1.529 7.054 1.00 15.00 H new ATOM 0 HH21 ARG A 262 11.918 -1.107 4.900 1.00 15.00 H new ATOM 0 HH22 ARG A 262 12.785 -0.656 6.371 1.00 15.00 H new ATOM 524 N LEU A 263 11.864 2.538 0.733 1.00 15.00 N ATOM 525 CA LEU A 263 13.201 2.003 0.899 1.00 15.00 C ATOM 526 C LEU A 263 14.097 2.474 -0.237 1.00 15.00 C ATOM 527 O LEU A 263 14.003 1.909 -1.344 1.00 15.00 O ATOM 528 CB LEU A 263 13.150 0.472 0.944 1.00 15.00 C ATOM 529 CG LEU A 263 14.452 -0.215 1.365 1.00 15.00 C ATOM 530 CD1 LEU A 263 14.836 0.186 2.784 1.00 15.00 C ATOM 531 CD2 LEU A 263 14.314 -1.727 1.253 1.00 15.00 C ATOM 532 OXT LEU A 263 14.880 3.422 -0.022 1.00 15.00 O ATOM 0 H LEU A 263 11.241 1.950 0.180 1.00 15.00 H new ATOM 0 HA LEU A 263 13.616 2.365 1.840 1.00 15.00 H new ATOM 0 HB2 LEU A 263 12.361 0.172 1.633 1.00 15.00 H new ATOM 0 HB3 LEU A 263 12.868 0.105 -0.043 1.00 15.00 H new ATOM 0 HG LEU A 263 15.247 0.109 0.693 1.00 15.00 H new ATOM 0 HD11 LEU A 263 15.764 -0.313 3.065 1.00 15.00 H new ATOM 0 HD12 LEU A 263 14.976 1.266 2.832 1.00 15.00 H new ATOM 0 HD13 LEU A 263 14.044 -0.108 3.472 1.00 15.00 H new ATOM 0 HD21 LEU A 263 15.248 -2.201 1.556 1.00 15.00 H new ATOM 0 HD22 LEU A 263 13.507 -2.068 1.902 1.00 15.00 H new ATOM 0 HD23 LEU A 263 14.088 -1.996 0.221 1.00 15.00 H new ATOM 545 N THR B 222 0.609 -13.212 -7.305 1.00 15.00 N ATOM 546 CA THR B 222 -0.782 -12.715 -7.351 1.00 15.00 C ATOM 547 C THR B 222 -0.809 -11.200 -7.171 1.00 15.00 C ATOM 548 O THR B 222 0.168 -10.620 -6.696 1.00 15.00 O ATOM 549 CB THR B 222 -1.639 -13.384 -6.256 1.00 15.00 C ATOM 550 OG1 THR B 222 -0.958 -13.332 -4.994 1.00 15.00 O ATOM 551 CG2 THR B 222 -1.947 -14.829 -6.611 1.00 15.00 C ATOM 0 HA THR B 222 -1.200 -12.968 -8.325 1.00 15.00 H new ATOM 0 HB THR B 222 -2.579 -12.837 -6.184 1.00 15.00 H new ATOM 0 HG1 THR B 222 0.010 -13.340 -5.144 1.00 15.00 H new ATOM 0 HG21 THR B 222 -2.552 -15.276 -5.822 1.00 15.00 H new ATOM 0 HG22 THR B 222 -2.495 -14.863 -7.553 1.00 15.00 H new ATOM 0 HG23 THR B 222 -1.015 -15.385 -6.713 1.00 15.00 H new ATOM 561 N PRO B 223 -1.904 -10.524 -7.571 1.00 15.00 N ATOM 562 CA PRO B 223 -2.038 -9.079 -7.387 1.00 15.00 C ATOM 563 C PRO B 223 -2.343 -8.723 -5.925 1.00 15.00 C ATOM 564 O PRO B 223 -2.843 -9.568 -5.181 1.00 15.00 O ATOM 565 CB PRO B 223 -3.228 -8.699 -8.287 1.00 15.00 C ATOM 566 CG PRO B 223 -3.582 -9.933 -9.050 1.00 15.00 C ATOM 567 CD PRO B 223 -3.085 -11.090 -8.237 1.00 15.00 C ATOM 0 HA PRO B 223 -1.120 -8.548 -7.639 1.00 15.00 H new ATOM 0 HB2 PRO B 223 -4.073 -8.354 -7.691 1.00 15.00 H new ATOM 0 HB3 PRO B 223 -2.962 -7.886 -8.963 1.00 15.00 H new ATOM 0 HG2 PRO B 223 -4.659 -10.000 -9.203 1.00 15.00 H new ATOM 0 HG3 PRO B 223 -3.120 -9.925 -10.037 1.00 15.00 H new ATOM 0 HD2 PRO B 223 -3.831 -11.432 -7.520 1.00 15.00 H new ATOM 0 HD3 PRO B 223 -2.828 -11.945 -8.862 1.00 15.00 H new ATOM 575 N PRO B 224 -2.084 -7.469 -5.483 1.00 15.00 N ATOM 576 CA PRO B 224 -2.406 -7.026 -4.136 1.00 15.00 C ATOM 577 C PRO B 224 -3.819 -6.461 -4.084 1.00 15.00 C ATOM 578 O PRO B 224 -4.524 -6.471 -5.097 1.00 15.00 O ATOM 579 CB PRO B 224 -1.357 -5.921 -3.866 1.00 15.00 C ATOM 580 CG PRO B 224 -0.729 -5.611 -5.192 1.00 15.00 C ATOM 581 CD PRO B 224 -1.522 -6.349 -6.234 1.00 15.00 C ATOM 0 HA PRO B 224 -2.377 -7.828 -3.398 1.00 15.00 H new ATOM 0 HB2 PRO B 224 -1.826 -5.034 -3.440 1.00 15.00 H new ATOM 0 HB3 PRO B 224 -0.608 -6.261 -3.150 1.00 15.00 H new ATOM 0 HG2 PRO B 224 -0.743 -4.538 -5.384 1.00 15.00 H new ATOM 0 HG3 PRO B 224 0.315 -5.924 -5.208 1.00 15.00 H new ATOM 0 HD2 PRO B 224 -2.301 -5.722 -6.668 1.00 15.00 H new ATOM 0 HD3 PRO B 224 -0.892 -6.689 -7.056 1.00 15.00 H new ATOM 589 N PRO B 225 -4.279 -6.003 -2.911 1.00 15.00 N ATOM 590 CA PRO B 225 -5.492 -5.201 -2.823 1.00 15.00 C ATOM 591 C PRO B 225 -5.441 -4.069 -3.843 1.00 15.00 C ATOM 592 O PRO B 225 -4.516 -3.266 -3.819 1.00 15.00 O ATOM 593 CB PRO B 225 -5.466 -4.638 -1.389 1.00 15.00 C ATOM 594 CG PRO B 225 -4.183 -5.105 -0.775 1.00 15.00 C ATOM 595 CD PRO B 225 -3.707 -6.271 -1.589 1.00 15.00 C ATOM 0 HA PRO B 225 -6.397 -5.772 -3.029 1.00 15.00 H new ATOM 0 HB2 PRO B 225 -5.519 -3.549 -1.398 1.00 15.00 H new ATOM 0 HB3 PRO B 225 -6.323 -4.994 -0.816 1.00 15.00 H new ATOM 0 HG2 PRO B 225 -3.442 -4.306 -0.776 1.00 15.00 H new ATOM 0 HG3 PRO B 225 -4.336 -5.397 0.264 1.00 15.00 H new ATOM 0 HD2 PRO B 225 -2.619 -6.323 -1.623 1.00 15.00 H new ATOM 0 HD3 PRO B 225 -4.059 -7.219 -1.181 1.00 15.00 H new ATOM 603 N ALA B 226 -6.405 -4.039 -4.760 1.00 15.00 N ATOM 604 CA ALA B 226 -6.423 -3.039 -5.833 1.00 15.00 C ATOM 605 C ALA B 226 -6.409 -1.624 -5.262 1.00 15.00 C ATOM 606 O ALA B 226 -6.430 -1.441 -4.045 1.00 15.00 O ATOM 607 CB ALA B 226 -7.644 -3.241 -6.719 1.00 15.00 C ATOM 0 H ALA B 226 -7.186 -4.695 -4.784 1.00 15.00 H new ATOM 0 HA ALA B 226 -5.524 -3.169 -6.436 1.00 15.00 H new ATOM 0 HB1 ALA B 226 -7.646 -2.493 -7.512 1.00 15.00 H new ATOM 0 HB2 ALA B 226 -7.612 -4.237 -7.160 1.00 15.00 H new ATOM 0 HB3 ALA B 226 -8.549 -3.138 -6.120 1.00 15.00 H new ATOM 613 N TYR B 227 -6.385 -0.612 -6.120 1.00 15.00 N ATOM 614 CA TYR B 227 -6.371 0.744 -5.612 1.00 15.00 C ATOM 615 C TYR B 227 -7.728 1.061 -4.982 1.00 15.00 C ATOM 616 O TYR B 227 -8.765 1.153 -5.644 1.00 15.00 O ATOM 617 CB TYR B 227 -5.941 1.768 -6.672 1.00 15.00 C ATOM 618 CG TYR B 227 -6.305 3.175 -6.282 1.00 15.00 C ATOM 619 CD1 TYR B 227 -5.883 3.692 -5.068 1.00 15.00 C ATOM 620 CD2 TYR B 227 -7.085 3.974 -7.104 1.00 15.00 C ATOM 621 CE1 TYR B 227 -6.222 4.962 -4.680 1.00 15.00 C ATOM 622 CE2 TYR B 227 -7.426 5.256 -6.726 1.00 15.00 C ATOM 623 CZ TYR B 227 -6.993 5.745 -5.514 1.00 15.00 C ATOM 624 OH TYR B 227 -7.336 7.019 -5.135 1.00 15.00 O ATOM 0 H TYR B 227 -6.375 -0.702 -7.136 1.00 15.00 H new ATOM 0 HA TYR B 227 -5.610 0.821 -4.836 1.00 15.00 H new ATOM 0 HB2 TYR B 227 -4.864 1.702 -6.823 1.00 15.00 H new ATOM 0 HB3 TYR B 227 -6.412 1.523 -7.624 1.00 15.00 H new ATOM 0 HD1 TYR B 227 -5.275 3.083 -4.415 1.00 15.00 H new ATOM 0 HD2 TYR B 227 -7.430 3.588 -8.052 1.00 15.00 H new ATOM 0 HE1 TYR B 227 -5.888 5.347 -3.728 1.00 15.00 H new ATOM 0 HE2 TYR B 227 -8.029 5.872 -7.377 1.00 15.00 H new ATOM 0 HH TYR B 227 -7.880 7.434 -5.837 1.00 15.00 H new ATOM 634 N LEU B 228 -7.659 1.225 -3.676 1.00 15.00 N ATOM 635 CA LEU B 228 -8.770 1.066 -2.759 1.00 15.00 C ATOM 636 C LEU B 228 -8.550 1.994 -1.578 1.00 15.00 C ATOM 637 O LEU B 228 -7.406 2.343 -1.310 1.00 15.00 O ATOM 638 CB LEU B 228 -8.889 -0.387 -2.276 1.00 15.00 C ATOM 639 CG LEU B 228 -9.401 -1.384 -3.319 1.00 15.00 C ATOM 640 CD1 LEU B 228 -9.444 -2.788 -2.738 1.00 15.00 C ATOM 641 CD2 LEU B 228 -10.779 -0.976 -3.818 1.00 15.00 C ATOM 0 H LEU B 228 -6.792 1.483 -3.205 1.00 15.00 H new ATOM 0 HA LEU B 228 -9.699 1.317 -3.271 1.00 15.00 H new ATOM 0 HB2 LEU B 228 -7.910 -0.719 -1.930 1.00 15.00 H new ATOM 0 HB3 LEU B 228 -9.557 -0.413 -1.415 1.00 15.00 H new ATOM 0 HG LEU B 228 -8.712 -1.379 -4.164 1.00 15.00 H new ATOM 0 HD11 LEU B 228 -9.810 -3.483 -3.493 1.00 15.00 H new ATOM 0 HD12 LEU B 228 -8.442 -3.084 -2.428 1.00 15.00 H new ATOM 0 HD13 LEU B 228 -10.111 -2.805 -1.876 1.00 15.00 H new ATOM 0 HD21 LEU B 228 -11.126 -1.697 -4.558 1.00 15.00 H new ATOM 0 HD22 LEU B 228 -11.477 -0.952 -2.981 1.00 15.00 H new ATOM 0 HD23 LEU B 228 -10.723 0.013 -4.273 1.00 15.00 H new ATOM 653 N PRO B 229 -9.578 2.480 -0.874 1.00 15.00 N ATOM 654 CA PRO B 229 -9.325 3.353 0.249 1.00 15.00 C ATOM 655 C PRO B 229 -9.119 2.481 1.478 1.00 15.00 C ATOM 656 O PRO B 229 -9.807 1.478 1.682 1.00 15.00 O ATOM 657 CB PRO B 229 -10.619 4.175 0.371 1.00 15.00 C ATOM 658 CG PRO B 229 -11.590 3.592 -0.616 1.00 15.00 C ATOM 659 CD PRO B 229 -11.015 2.284 -1.094 1.00 15.00 C ATOM 0 HA PRO B 229 -8.449 3.992 0.140 1.00 15.00 H new ATOM 0 HB2 PRO B 229 -11.018 4.123 1.384 1.00 15.00 H new ATOM 0 HB3 PRO B 229 -10.432 5.227 0.156 1.00 15.00 H new ATOM 0 HG2 PRO B 229 -12.563 3.436 -0.151 1.00 15.00 H new ATOM 0 HG3 PRO B 229 -11.742 4.273 -1.453 1.00 15.00 H new ATOM 0 HD2 PRO B 229 -11.402 1.437 -0.527 1.00 15.00 H new ATOM 0 HD3 PRO B 229 -11.245 2.097 -2.143 1.00 15.00 H new ATOM 667 N PRO B 230 -8.180 2.891 2.336 1.00 15.00 N ATOM 668 CA PRO B 230 -7.226 1.980 2.966 1.00 15.00 C ATOM 669 C PRO B 230 -7.658 1.356 4.275 1.00 15.00 C ATOM 670 O PRO B 230 -8.414 1.927 5.063 1.00 15.00 O ATOM 671 CB PRO B 230 -6.012 2.888 3.212 1.00 15.00 C ATOM 672 CG PRO B 230 -6.432 4.282 2.845 1.00 15.00 C ATOM 673 CD PRO B 230 -7.929 4.267 2.745 1.00 15.00 C ATOM 0 HA PRO B 230 -7.066 1.114 2.324 1.00 15.00 H new ATOM 0 HB2 PRO B 230 -5.699 2.841 4.255 1.00 15.00 H new ATOM 0 HB3 PRO B 230 -5.162 2.569 2.609 1.00 15.00 H new ATOM 0 HG2 PRO B 230 -6.101 4.997 3.598 1.00 15.00 H new ATOM 0 HG3 PRO B 230 -5.984 4.585 1.899 1.00 15.00 H new ATOM 0 HD2 PRO B 230 -8.406 4.506 3.696 1.00 15.00 H new ATOM 0 HD3 PRO B 230 -8.298 4.986 2.014 1.00 15.00 H new ATOM 681 N GLU B 231 -7.128 0.160 4.478 1.00 15.00 N ATOM 682 CA GLU B 231 -7.492 -0.698 5.589 1.00 15.00 C ATOM 683 C GLU B 231 -6.521 -0.523 6.741 1.00 15.00 C ATOM 684 O GLU B 231 -5.343 -0.227 6.540 1.00 15.00 O ATOM 685 CB GLU B 231 -7.537 -2.162 5.154 1.00 15.00 C ATOM 686 CG GLU B 231 -6.316 -2.626 4.425 1.00 15.00 C ATOM 687 CD GLU B 231 -6.545 -3.936 3.692 1.00 15.00 C ATOM 688 OE1 GLU B 231 -6.588 -4.994 4.352 1.00 15.00 O ATOM 689 OE2 GLU B 231 -6.695 -3.912 2.454 1.00 15.00 O1- ATOM 0 H GLU B 231 -6.422 -0.246 3.864 1.00 15.00 H new ATOM 0 HA GLU B 231 -8.487 -0.408 5.925 1.00 15.00 H new ATOM 0 HB2 GLU B 231 -7.678 -2.787 6.036 1.00 15.00 H new ATOM 0 HB3 GLU B 231 -8.407 -2.312 4.514 1.00 15.00 H new ATOM 0 HG2 GLU B 231 -6.010 -1.862 3.711 1.00 15.00 H new ATOM 0 HG3 GLU B 231 -5.497 -2.747 5.134 1.00 15.00 H new ATOM 696 N ASP B 232 -7.025 -0.727 7.940 1.00 15.00 N ATOM 697 CA ASP B 232 -6.267 -0.432 9.155 1.00 15.00 C ATOM 698 C ASP B 232 -5.940 -1.688 9.976 1.00 15.00 C ATOM 699 O ASP B 232 -4.785 -1.872 10.368 1.00 15.00 O ATOM 700 CB ASP B 232 -7.011 0.589 10.025 1.00 15.00 C ATOM 701 CG ASP B 232 -6.292 0.880 11.331 1.00 15.00 C ATOM 702 OD1 ASP B 232 -5.198 1.480 11.292 1.00 15.00 O1- ATOM 703 OD2 ASP B 232 -6.821 0.515 12.405 1.00 15.00 O ATOM 0 H ASP B 232 -7.960 -1.098 8.108 1.00 15.00 H new ATOM 0 HA ASP B 232 -5.318 -0.007 8.830 1.00 15.00 H new ATOM 0 HB2 ASP B 232 -7.131 1.517 9.466 1.00 15.00 H new ATOM 0 HB3 ASP B 232 -8.012 0.215 10.241 1.00 15.00 H new ATOM 708 N PRO B 233 -6.933 -2.556 10.284 1.00 15.00 N ATOM 709 CA PRO B 233 -6.704 -3.754 11.094 1.00 15.00 C ATOM 710 C PRO B 233 -6.082 -4.893 10.290 1.00 15.00 C ATOM 711 O PRO B 233 -6.842 -5.706 9.722 1.00 15.00 O ATOM 712 CB PRO B 233 -8.111 -4.152 11.577 1.00 15.00 C ATOM 713 CG PRO B 233 -9.044 -3.105 11.054 1.00 15.00 C ATOM 714 CD PRO B 233 -8.344 -2.457 9.897 1.00 15.00 C ATOM 715 OXT PRO B 233 -4.837 -4.985 10.249 1.00 15.00 O ATOM 0 HA PRO B 233 -6.003 -3.557 11.905 1.00 15.00 H new ATOM 0 HB2 PRO B 233 -8.386 -5.139 11.205 1.00 15.00 H new ATOM 0 HB3 PRO B 233 -8.150 -4.200 12.665 1.00 15.00 H new ATOM 0 HG2 PRO B 233 -9.988 -3.549 10.738 1.00 15.00 H new ATOM 0 HG3 PRO B 233 -9.278 -2.372 11.826 1.00 15.00 H new ATOM 0 HD2 PRO B 233 -8.545 -2.975 8.959 1.00 15.00 H new ATOM 0 HD3 PRO B 233 -8.656 -1.421 9.762 1.00 15.00 H new