USER MOD reduce.3.24.130724 H: found=0, std=0, add=342, rem=0, adj=10 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= -2.12! K(o=-2.9!,f=-2.1) USER MOD Set 1.2: B 227 TYR OH : rot 180:sc= -0.73 USER MOD Set 2.1: A 252 LYS NZ :NH3+ -159:sc= 0.479 (180deg=-0.561) USER MOD Set 2.2: A 253 ASN : amide:sc= 0.473 K(o=0.95,f=-6.4!) USER MOD Single : A 238 GLN : amide:sc= -3.1! C(o=-3.1!,f=-4.9!) USER MOD Single : A 240 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 241 THR OG1 : rot 180:sc= 0 USER MOD Single : A 242 GLN : amide:sc= -1.02 K(o=-1,f=-0.0038) USER MOD Single : A 247 TYR OH : rot 104:sc= -3.46! USER MOD Single : A 248 TYR OH : rot 0:sc= -1.76! USER MOD Single : A 250 ASN : amide:sc= -1.55 K(o=-1.5,f=-13!) USER MOD Single : A 254 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 255 THR OG1 : rot -40:sc= -0.14 USER MOD Single : A 256 THR OG1 : rot -139:sc= -1.06 USER MOD Single : A 257 SER OG : rot 180:sc= 0 USER MOD Single : B 222 THR OG1 : rot -18:sc= 0.337 USER MOD ----------------------------------------------------------------- ATOM 8 N PRO A 231 8.668 6.123 6.510 1.00 15.00 N ATOM 9 CA PRO A 231 8.286 7.362 5.871 1.00 15.00 C ATOM 10 C PRO A 231 7.837 7.124 4.436 1.00 15.00 C ATOM 11 O PRO A 231 8.640 6.713 3.598 1.00 15.00 O ATOM 12 CB PRO A 231 9.617 8.134 5.898 1.00 15.00 C ATOM 13 CG PRO A 231 10.695 7.080 6.041 1.00 15.00 C ATOM 14 CD PRO A 231 9.993 5.740 6.031 1.00 15.00 C ATOM 0 HA PRO A 231 7.453 7.873 6.353 1.00 15.00 H new ATOM 0 HB2 PRO A 231 9.753 8.713 4.985 1.00 15.00 H new ATOM 0 HB3 PRO A 231 9.645 8.839 6.729 1.00 15.00 H new ATOM 0 HG2 PRO A 231 11.413 7.147 5.224 1.00 15.00 H new ATOM 0 HG3 PRO A 231 11.252 7.219 6.968 1.00 15.00 H new ATOM 0 HD2 PRO A 231 9.961 5.298 5.035 1.00 15.00 H new ATOM 0 HD3 PRO A 231 10.476 5.015 6.686 1.00 15.00 H new ATOM 22 N LEU A 232 6.567 7.333 4.127 1.00 15.00 N ATOM 23 CA LEU A 232 6.128 7.003 2.784 1.00 15.00 C ATOM 24 C LEU A 232 6.555 8.093 1.836 1.00 15.00 C ATOM 25 O LEU A 232 6.805 9.224 2.254 1.00 15.00 O ATOM 26 CB LEU A 232 4.616 6.759 2.622 1.00 15.00 C ATOM 27 CG LEU A 232 3.986 5.660 3.495 1.00 15.00 C ATOM 28 CD1 LEU A 232 5.020 4.902 4.322 1.00 15.00 C ATOM 29 CD2 LEU A 232 2.927 6.239 4.407 1.00 15.00 C ATOM 0 H LEU A 232 5.855 7.710 4.752 1.00 15.00 H new ATOM 0 HA LEU A 232 6.604 6.050 2.554 1.00 15.00 H new ATOM 0 HB2 LEU A 232 4.098 7.695 2.831 1.00 15.00 H new ATOM 0 HB3 LEU A 232 4.423 6.514 1.578 1.00 15.00 H new ATOM 0 HG LEU A 232 3.527 4.948 2.810 1.00 15.00 H new ATOM 0 HD11 LEU A 232 4.520 4.139 4.919 1.00 15.00 H new ATOM 0 HD12 LEU A 232 5.741 4.428 3.657 1.00 15.00 H new ATOM 0 HD13 LEU A 232 5.538 5.597 4.982 1.00 15.00 H new ATOM 0 HD21 LEU A 232 2.496 5.444 5.015 1.00 15.00 H new ATOM 0 HD22 LEU A 232 3.377 6.989 5.057 1.00 15.00 H new ATOM 0 HD23 LEU A 232 2.144 6.702 3.807 1.00 15.00 H new ATOM 41 N PRO A 233 6.609 7.789 0.541 1.00 15.00 N ATOM 42 CA PRO A 233 7.094 8.740 -0.453 1.00 15.00 C ATOM 43 C PRO A 233 6.212 9.986 -0.513 1.00 15.00 C ATOM 44 O PRO A 233 6.695 11.116 -0.446 1.00 15.00 O ATOM 45 CB PRO A 233 6.993 7.955 -1.752 1.00 15.00 C ATOM 46 CG PRO A 233 6.954 6.509 -1.344 1.00 15.00 C ATOM 47 CD PRO A 233 6.174 6.519 -0.077 1.00 15.00 C ATOM 0 HA PRO A 233 8.099 9.103 -0.235 1.00 15.00 H new ATOM 0 HB2 PRO A 233 6.097 8.230 -2.308 1.00 15.00 H new ATOM 0 HB3 PRO A 233 7.846 8.157 -2.400 1.00 15.00 H new ATOM 0 HG2 PRO A 233 6.475 5.892 -2.104 1.00 15.00 H new ATOM 0 HG3 PRO A 233 7.957 6.109 -1.194 1.00 15.00 H new ATOM 0 HD2 PRO A 233 5.099 6.501 -0.259 1.00 15.00 H new ATOM 0 HD3 PRO A 233 6.405 5.659 0.551 1.00 15.00 H new ATOM 55 N ASP A 234 4.910 9.756 -0.622 1.00 15.00 N ATOM 56 CA ASP A 234 3.930 10.834 -0.674 1.00 15.00 C ATOM 57 C ASP A 234 3.149 10.899 0.627 1.00 15.00 C ATOM 58 O ASP A 234 2.385 11.833 0.858 1.00 15.00 O ATOM 59 CB ASP A 234 2.946 10.624 -1.828 1.00 15.00 C ATOM 60 CG ASP A 234 3.609 10.599 -3.189 1.00 15.00 C ATOM 61 OD1 ASP A 234 4.198 9.560 -3.546 1.00 15.00 O1- ATOM 62 OD2 ASP A 234 3.527 11.615 -3.913 1.00 15.00 O ATOM 0 H ASP A 234 4.504 8.822 -0.677 1.00 15.00 H new ATOM 0 HA ASP A 234 4.472 11.767 -0.829 1.00 15.00 H new ATOM 0 HB2 ASP A 234 2.413 9.685 -1.675 1.00 15.00 H new ATOM 0 HB3 ASP A 234 2.201 11.420 -1.810 1.00 15.00 H new ATOM 67 N GLY A 235 3.338 9.889 1.463 1.00 15.00 N ATOM 68 CA GLY A 235 2.509 9.733 2.641 1.00 15.00 C ATOM 69 C GLY A 235 1.288 8.887 2.340 1.00 15.00 C ATOM 70 O GLY A 235 0.154 9.302 2.570 1.00 15.00 O ATOM 0 H GLY A 235 4.054 9.172 1.346 1.00 15.00 H new ATOM 0 HA2 GLY A 235 3.089 9.269 3.439 1.00 15.00 H new ATOM 0 HA3 GLY A 235 2.197 10.713 3.002 1.00 15.00 H new ATOM 74 N TRP A 236 1.533 7.696 1.808 1.00 15.00 N ATOM 75 CA TRP A 236 0.464 6.804 1.391 1.00 15.00 C ATOM 76 C TRP A 236 0.532 5.453 2.083 1.00 15.00 C ATOM 77 O TRP A 236 1.609 4.924 2.295 1.00 15.00 O ATOM 78 CB TRP A 236 0.431 6.662 -0.109 1.00 15.00 C ATOM 79 CG TRP A 236 1.720 6.392 -0.848 1.00 15.00 C ATOM 80 CD1 TRP A 236 2.819 7.205 -1.041 1.00 15.00 C ATOM 81 CD2 TRP A 236 1.987 5.213 -1.609 1.00 15.00 C ATOM 82 NE1 TRP A 236 3.631 6.637 -1.963 1.00 15.00 N ATOM 83 CE2 TRP A 236 3.180 5.412 -2.288 1.00 15.00 C ATOM 84 CE3 TRP A 236 1.330 4.021 -1.801 1.00 15.00 C ATOM 85 CZ2 TRP A 236 3.719 4.467 -3.150 1.00 15.00 C ATOM 86 CZ3 TRP A 236 1.895 3.094 -2.663 1.00 15.00 C ATOM 87 CH2 TRP A 236 3.062 3.318 -3.317 1.00 15.00 C ATOM 0 H TRP A 236 2.471 7.326 1.655 1.00 15.00 H new ATOM 0 HA TRP A 236 -0.475 7.261 1.704 1.00 15.00 H new ATOM 0 HB2 TRP A 236 -0.260 5.854 -0.348 1.00 15.00 H new ATOM 0 HB3 TRP A 236 0.004 7.578 -0.517 1.00 15.00 H new ATOM 0 HD1 TRP A 236 3.001 8.143 -0.538 1.00 15.00 H new ATOM 0 HE1 TRP A 236 4.465 7.075 -2.355 1.00 15.00 H new ATOM 0 HE3 TRP A 236 0.399 3.812 -1.294 1.00 15.00 H new ATOM 0 HZ2 TRP A 236 4.645 4.657 -3.672 1.00 15.00 H new ATOM 0 HZ3 TRP A 236 1.385 2.155 -2.820 1.00 15.00 H new ATOM 0 HH2 TRP A 236 3.462 2.562 -3.977 1.00 15.00 H new ATOM 98 N GLU A 237 -0.614 4.812 2.272 1.00 15.00 N ATOM 99 CA GLU A 237 -0.833 3.994 3.455 1.00 15.00 C ATOM 100 C GLU A 237 -0.378 2.572 3.277 1.00 15.00 C ATOM 101 O GLU A 237 -0.548 1.938 2.232 1.00 15.00 O ATOM 102 CB GLU A 237 -2.330 3.998 3.797 1.00 15.00 C ATOM 103 CG GLU A 237 -2.758 3.094 4.954 1.00 15.00 C ATOM 104 CD GLU A 237 -2.187 3.568 6.274 1.00 15.00 C ATOM 105 OE1 GLU A 237 -0.996 3.312 6.543 1.00 15.00 O1- ATOM 106 OE2 GLU A 237 -2.924 4.235 7.029 1.00 15.00 O ATOM 0 H GLU A 237 -1.402 4.843 1.625 1.00 15.00 H new ATOM 0 HA GLU A 237 -0.240 4.427 4.261 1.00 15.00 H new ATOM 0 HB2 GLU A 237 -2.625 5.020 4.033 1.00 15.00 H new ATOM 0 HB3 GLU A 237 -2.886 3.703 2.907 1.00 15.00 H new ATOM 0 HG2 GLU A 237 -3.846 3.071 5.015 1.00 15.00 H new ATOM 0 HG3 GLU A 237 -2.428 2.073 4.760 1.00 15.00 H new ATOM 113 N GLN A 238 0.179 2.114 4.375 1.00 15.00 N ATOM 114 CA GLN A 238 0.811 0.820 4.493 1.00 15.00 C ATOM 115 C GLN A 238 0.068 0.025 5.544 1.00 15.00 C ATOM 116 O GLN A 238 0.097 0.355 6.732 1.00 15.00 O ATOM 117 CB GLN A 238 2.295 0.983 4.864 1.00 15.00 C ATOM 118 CG GLN A 238 3.088 -0.318 4.946 1.00 15.00 C ATOM 119 CD GLN A 238 2.951 -1.033 6.281 1.00 15.00 C ATOM 120 OE1 GLN A 238 2.090 -1.891 6.459 1.00 15.00 O ATOM 121 NE2 GLN A 238 3.797 -0.676 7.233 1.00 15.00 N ATOM 0 H GLN A 238 0.205 2.652 5.241 1.00 15.00 H new ATOM 0 HA GLN A 238 0.771 0.290 3.542 1.00 15.00 H new ATOM 0 HB2 GLN A 238 2.768 1.633 4.128 1.00 15.00 H new ATOM 0 HB3 GLN A 238 2.359 1.491 5.826 1.00 15.00 H new ATOM 0 HG2 GLN A 238 2.757 -0.986 4.150 1.00 15.00 H new ATOM 0 HG3 GLN A 238 4.141 -0.103 4.765 1.00 15.00 H new ATOM 0 HE21 GLN A 238 4.499 0.041 7.049 1.00 15.00 H new ATOM 0 HE22 GLN A 238 3.747 -1.117 8.151 1.00 15.00 H new ATOM 130 N ALA A 239 -0.612 -1.002 5.099 1.00 15.00 N ATOM 131 CA ALA A 239 -1.464 -1.775 5.969 1.00 15.00 C ATOM 132 C ALA A 239 -1.307 -3.256 5.680 1.00 15.00 C ATOM 133 O ALA A 239 -0.988 -3.641 4.555 1.00 15.00 O ATOM 134 CB ALA A 239 -2.903 -1.327 5.814 1.00 15.00 C ATOM 0 H ALA A 239 -0.592 -1.324 4.131 1.00 15.00 H new ATOM 0 HA ALA A 239 -1.169 -1.608 7.005 1.00 15.00 H new ATOM 0 HB1 ALA A 239 -3.540 -1.915 6.474 1.00 15.00 H new ATOM 0 HB2 ALA A 239 -2.986 -0.272 6.075 1.00 15.00 H new ATOM 0 HB3 ALA A 239 -3.220 -1.471 4.781 1.00 15.00 H new ATOM 140 N MET A 240 -1.502 -4.077 6.697 1.00 15.00 N ATOM 141 CA MET A 240 -1.274 -5.506 6.565 1.00 15.00 C ATOM 142 C MET A 240 -2.534 -6.224 6.102 1.00 15.00 C ATOM 143 O MET A 240 -3.564 -6.206 6.773 1.00 15.00 O ATOM 144 CB MET A 240 -0.794 -6.106 7.890 1.00 15.00 C ATOM 145 CG MET A 240 0.571 -5.605 8.331 1.00 15.00 C ATOM 146 SD MET A 240 1.121 -6.368 9.871 1.00 15.00 S ATOM 147 CE MET A 240 2.725 -5.600 10.078 1.00 15.00 C ATOM 0 H MET A 240 -1.817 -3.780 7.621 1.00 15.00 H new ATOM 0 HA MET A 240 -0.498 -5.645 5.812 1.00 15.00 H new ATOM 0 HB2 MET A 240 -1.523 -5.877 8.667 1.00 15.00 H new ATOM 0 HB3 MET A 240 -0.759 -7.191 7.795 1.00 15.00 H new ATOM 0 HG2 MET A 240 1.300 -5.809 7.547 1.00 15.00 H new ATOM 0 HG3 MET A 240 0.534 -4.523 8.458 1.00 15.00 H new ATOM 0 HE1 MET A 240 3.191 -5.972 10.990 1.00 15.00 H new ATOM 0 HE2 MET A 240 3.357 -5.841 9.223 1.00 15.00 H new ATOM 0 HE3 MET A 240 2.605 -4.519 10.147 1.00 15.00 H new ATOM 157 N THR A 241 -2.420 -6.866 4.955 1.00 15.00 N ATOM 158 CA THR A 241 -3.494 -7.658 4.389 1.00 15.00 C ATOM 159 C THR A 241 -3.376 -9.092 4.895 1.00 15.00 C ATOM 160 O THR A 241 -2.273 -9.551 5.201 1.00 15.00 O ATOM 161 CB THR A 241 -3.473 -7.636 2.842 1.00 15.00 C ATOM 162 OG1 THR A 241 -4.537 -8.442 2.322 1.00 15.00 O ATOM 163 CG2 THR A 241 -2.145 -8.138 2.293 1.00 15.00 C ATOM 0 H THR A 241 -1.573 -6.852 4.386 1.00 15.00 H new ATOM 0 HA THR A 241 -4.443 -7.225 4.706 1.00 15.00 H new ATOM 0 HB THR A 241 -3.606 -6.601 2.527 1.00 15.00 H new ATOM 0 HG1 THR A 241 -4.516 -8.420 1.342 1.00 15.00 H new ATOM 0 HG21 THR A 241 -2.167 -8.108 1.204 1.00 15.00 H new ATOM 0 HG22 THR A 241 -1.337 -7.503 2.657 1.00 15.00 H new ATOM 0 HG23 THR A 241 -1.978 -9.163 2.625 1.00 15.00 H new ATOM 171 N GLN A 242 -4.513 -9.779 5.002 1.00 15.00 N ATOM 172 CA GLN A 242 -4.587 -11.106 5.623 1.00 15.00 C ATOM 173 C GLN A 242 -3.698 -12.115 4.907 1.00 15.00 C ATOM 174 O GLN A 242 -3.331 -13.147 5.468 1.00 15.00 O ATOM 175 CB GLN A 242 -6.015 -11.616 5.555 1.00 15.00 C ATOM 176 CG GLN A 242 -7.042 -10.716 6.233 1.00 15.00 C ATOM 177 CD GLN A 242 -6.854 -10.610 7.738 1.00 15.00 C ATOM 178 OE1 GLN A 242 -7.189 -9.593 8.344 1.00 15.00 O ATOM 179 NE2 GLN A 242 -6.320 -11.658 8.353 1.00 15.00 N ATOM 0 H GLN A 242 -5.410 -9.433 4.661 1.00 15.00 H new ATOM 0 HA GLN A 242 -4.250 -11.003 6.654 1.00 15.00 H new ATOM 0 HB2 GLN A 242 -6.294 -11.739 4.508 1.00 15.00 H new ATOM 0 HB3 GLN A 242 -6.057 -12.604 6.014 1.00 15.00 H new ATOM 0 HG2 GLN A 242 -6.985 -9.719 5.796 1.00 15.00 H new ATOM 0 HG3 GLN A 242 -8.042 -11.098 6.025 1.00 15.00 H new ATOM 0 HE21 GLN A 242 -6.055 -12.484 7.816 1.00 15.00 H new ATOM 0 HE22 GLN A 242 -6.175 -11.638 9.362 1.00 15.00 H new ATOM 188 N ASP A 243 -3.400 -11.820 3.652 1.00 15.00 N ATOM 189 CA ASP A 243 -2.441 -12.602 2.859 1.00 15.00 C ATOM 190 C ASP A 243 -1.058 -12.587 3.525 1.00 15.00 C ATOM 191 O ASP A 243 -0.169 -13.375 3.204 1.00 15.00 O ATOM 192 CB ASP A 243 -2.327 -11.992 1.468 1.00 15.00 C ATOM 193 CG ASP A 243 -1.807 -12.963 0.416 1.00 15.00 C ATOM 194 OD1 ASP A 243 -1.130 -13.948 0.771 1.00 15.00 O1- ATOM 195 OD2 ASP A 243 -2.099 -12.757 -0.780 1.00 15.00 O ATOM 0 H ASP A 243 -3.811 -11.035 3.147 1.00 15.00 H new ATOM 0 HA ASP A 243 -2.794 -13.631 2.793 1.00 15.00 H new ATOM 0 HB2 ASP A 243 -3.306 -11.626 1.160 1.00 15.00 H new ATOM 0 HB3 ASP A 243 -1.663 -11.128 1.513 1.00 15.00 H new ATOM 200 N GLY A 244 -0.897 -11.655 4.442 1.00 15.00 N ATOM 201 CA GLY A 244 0.314 -11.554 5.233 1.00 15.00 C ATOM 202 C GLY A 244 1.349 -10.658 4.594 1.00 15.00 C ATOM 203 O GLY A 244 2.547 -10.921 4.679 1.00 15.00 O ATOM 0 H GLY A 244 -1.599 -10.948 4.660 1.00 15.00 H new ATOM 0 HA2 GLY A 244 0.067 -11.170 6.223 1.00 15.00 H new ATOM 0 HA3 GLY A 244 0.736 -12.549 5.374 1.00 15.00 H new ATOM 207 N GLU A 245 0.879 -9.583 3.979 1.00 15.00 N ATOM 208 CA GLU A 245 1.762 -8.598 3.365 1.00 15.00 C ATOM 209 C GLU A 245 1.420 -7.214 3.857 1.00 15.00 C ATOM 210 O GLU A 245 0.262 -6.926 4.161 1.00 15.00 O ATOM 211 CB GLU A 245 1.632 -8.590 1.837 1.00 15.00 C ATOM 212 CG GLU A 245 2.234 -9.807 1.151 1.00 15.00 C ATOM 213 CD GLU A 245 3.697 -10.012 1.487 1.00 15.00 C ATOM 214 OE1 GLU A 245 4.529 -9.174 1.091 1.00 15.00 O1- ATOM 215 OE2 GLU A 245 4.020 -11.017 2.153 1.00 15.00 O ATOM 0 H GLU A 245 -0.114 -9.368 3.891 1.00 15.00 H new ATOM 0 HA GLU A 245 2.780 -8.873 3.642 1.00 15.00 H new ATOM 0 HB2 GLU A 245 0.576 -8.525 1.574 1.00 15.00 H new ATOM 0 HB3 GLU A 245 2.113 -7.693 1.448 1.00 15.00 H new ATOM 0 HG2 GLU A 245 1.672 -10.695 1.440 1.00 15.00 H new ATOM 0 HG3 GLU A 245 2.126 -9.699 0.072 1.00 15.00 H new ATOM 222 N ILE A 246 2.416 -6.361 3.917 1.00 15.00 N ATOM 223 CA ILE A 246 2.162 -4.948 4.031 1.00 15.00 C ATOM 224 C ILE A 246 2.072 -4.410 2.616 1.00 15.00 C ATOM 225 O ILE A 246 2.720 -4.943 1.719 1.00 15.00 O ATOM 226 CB ILE A 246 3.262 -4.202 4.823 1.00 15.00 C ATOM 227 CG1 ILE A 246 4.553 -4.082 4.004 1.00 15.00 C ATOM 228 CG2 ILE A 246 3.532 -4.915 6.141 1.00 15.00 C ATOM 229 CD1 ILE A 246 5.654 -3.323 4.713 1.00 15.00 C ATOM 0 H ILE A 246 3.402 -6.620 3.889 1.00 15.00 H new ATOM 0 HA ILE A 246 1.239 -4.787 4.589 1.00 15.00 H new ATOM 0 HB ILE A 246 2.906 -3.193 5.032 1.00 15.00 H new ATOM 0 HG12 ILE A 246 4.912 -5.082 3.759 1.00 15.00 H new ATOM 0 HG13 ILE A 246 4.330 -3.584 3.061 1.00 15.00 H new ATOM 0 HG21 ILE A 246 4.308 -4.382 6.691 1.00 15.00 H new ATOM 0 HG22 ILE A 246 2.618 -4.940 6.735 1.00 15.00 H new ATOM 0 HG23 ILE A 246 3.863 -5.934 5.942 1.00 15.00 H new ATOM 0 HD11 ILE A 246 6.535 -3.279 4.073 1.00 15.00 H new ATOM 0 HD12 ILE A 246 5.314 -2.311 4.934 1.00 15.00 H new ATOM 0 HD13 ILE A 246 5.906 -3.832 5.643 1.00 15.00 H new ATOM 241 N TYR A 247 1.240 -3.415 2.395 1.00 15.00 N ATOM 242 CA TYR A 247 1.057 -2.883 1.056 1.00 15.00 C ATOM 243 C TYR A 247 1.035 -1.357 1.095 1.00 15.00 C ATOM 244 O TYR A 247 0.646 -0.758 2.096 1.00 15.00 O ATOM 245 CB TYR A 247 -0.226 -3.450 0.396 1.00 15.00 C ATOM 246 CG TYR A 247 -1.511 -2.857 0.930 1.00 15.00 C ATOM 247 CD1 TYR A 247 -1.777 -1.514 0.753 1.00 15.00 C ATOM 248 CD2 TYR A 247 -2.434 -3.624 1.628 1.00 15.00 C ATOM 249 CE1 TYR A 247 -2.898 -0.930 1.253 1.00 15.00 C ATOM 250 CE2 TYR A 247 -3.585 -3.053 2.138 1.00 15.00 C ATOM 251 CZ TYR A 247 -3.809 -1.693 1.952 1.00 15.00 C ATOM 252 OH TYR A 247 -4.944 -1.104 2.453 1.00 15.00 O ATOM 0 H TYR A 247 0.682 -2.959 3.117 1.00 15.00 H new ATOM 0 HA TYR A 247 1.900 -3.198 0.442 1.00 15.00 H new ATOM 0 HB2 TYR A 247 -0.177 -3.274 -0.679 1.00 15.00 H new ATOM 0 HB3 TYR A 247 -0.249 -4.530 0.541 1.00 15.00 H new ATOM 0 HD1 TYR A 247 -1.073 -0.909 0.201 1.00 15.00 H new ATOM 0 HD2 TYR A 247 -2.251 -4.678 1.774 1.00 15.00 H new ATOM 0 HE1 TYR A 247 -3.074 0.125 1.104 1.00 15.00 H new ATOM 0 HE2 TYR A 247 -4.302 -3.656 2.675 1.00 15.00 H new ATOM 0 HH TYR A 247 -5.711 -1.343 1.892 1.00 15.00 H new ATOM 262 N TYR A 248 1.474 -0.755 0.014 1.00 15.00 N ATOM 263 CA TYR A 248 1.400 0.683 -0.193 1.00 15.00 C ATOM 264 C TYR A 248 0.336 1.027 -1.234 1.00 15.00 C ATOM 265 O TYR A 248 0.405 0.573 -2.375 1.00 15.00 O ATOM 266 CB TYR A 248 2.775 1.179 -0.586 1.00 15.00 C ATOM 267 CG TYR A 248 3.682 1.308 0.607 1.00 15.00 C ATOM 268 CD1 TYR A 248 4.306 0.189 1.147 1.00 15.00 C ATOM 269 CD2 TYR A 248 3.929 2.549 1.192 1.00 15.00 C ATOM 270 CE1 TYR A 248 5.142 0.300 2.233 1.00 15.00 C ATOM 271 CE2 TYR A 248 4.770 2.661 2.269 1.00 15.00 C ATOM 272 CZ TYR A 248 5.376 1.536 2.790 1.00 15.00 C ATOM 273 OH TYR A 248 6.219 1.647 3.871 1.00 15.00 O ATOM 0 H TYR A 248 1.902 -1.256 -0.765 1.00 15.00 H new ATOM 0 HA TYR A 248 1.097 1.184 0.726 1.00 15.00 H new ATOM 0 HB2 TYR A 248 3.218 0.492 -1.307 1.00 15.00 H new ATOM 0 HB3 TYR A 248 2.685 2.146 -1.081 1.00 15.00 H new ATOM 0 HD1 TYR A 248 4.131 -0.782 0.707 1.00 15.00 H new ATOM 0 HD2 TYR A 248 3.453 3.432 0.792 1.00 15.00 H new ATOM 0 HE1 TYR A 248 5.613 -0.579 2.647 1.00 15.00 H new ATOM 0 HE2 TYR A 248 4.958 3.629 2.709 1.00 15.00 H new ATOM 0 HH TYR A 248 6.565 0.761 4.108 1.00 15.00 H new ATOM 283 N ILE A 249 -0.671 1.812 -0.826 1.00 15.00 N ATOM 284 CA ILE A 249 -1.652 2.359 -1.772 1.00 15.00 C ATOM 285 C ILE A 249 -1.793 3.866 -1.597 1.00 15.00 C ATOM 286 O ILE A 249 -1.766 4.382 -0.476 1.00 15.00 O ATOM 287 CB ILE A 249 -3.057 1.742 -1.637 1.00 15.00 C ATOM 288 CG1 ILE A 249 -3.620 1.942 -0.230 1.00 15.00 C ATOM 289 CG2 ILE A 249 -3.041 0.278 -2.015 1.00 15.00 C ATOM 290 CD1 ILE A 249 -4.931 1.223 -0.012 1.00 15.00 C ATOM 0 H ILE A 249 -0.827 2.081 0.146 1.00 15.00 H new ATOM 0 HA ILE A 249 -1.260 2.108 -2.758 1.00 15.00 H new ATOM 0 HB ILE A 249 -3.717 2.262 -2.331 1.00 15.00 H new ATOM 0 HG12 ILE A 249 -2.892 1.589 0.500 1.00 15.00 H new ATOM 0 HG13 ILE A 249 -3.762 3.008 -0.049 1.00 15.00 H new ATOM 0 HG21 ILE A 249 -4.044 -0.135 -1.912 1.00 15.00 H new ATOM 0 HG22 ILE A 249 -2.710 0.173 -3.048 1.00 15.00 H new ATOM 0 HG23 ILE A 249 -2.357 -0.260 -1.358 1.00 15.00 H new ATOM 0 HD11 ILE A 249 -5.280 1.403 1.005 1.00 15.00 H new ATOM 0 HD12 ILE A 249 -5.672 1.594 -0.721 1.00 15.00 H new ATOM 0 HD13 ILE A 249 -4.789 0.153 -0.163 1.00 15.00 H new ATOM 302 N ASN A 250 -1.956 4.571 -2.705 1.00 15.00 N ATOM 303 CA ASN A 250 -2.091 6.017 -2.666 1.00 15.00 C ATOM 304 C ASN A 250 -3.285 6.458 -3.495 1.00 15.00 C ATOM 305 O ASN A 250 -3.473 5.990 -4.620 1.00 15.00 O ATOM 306 CB ASN A 250 -0.821 6.691 -3.189 1.00 15.00 C ATOM 307 CG ASN A 250 -0.761 8.175 -2.859 1.00 15.00 C ATOM 308 OD1 ASN A 250 -1.782 8.838 -2.724 1.00 15.00 O ATOM 309 ND2 ASN A 250 0.439 8.710 -2.737 1.00 15.00 N ATOM 0 H ASN A 250 -1.998 4.166 -3.640 1.00 15.00 H new ATOM 0 HA ASN A 250 -2.246 6.317 -1.630 1.00 15.00 H new ATOM 0 HB2 ASN A 250 0.050 6.193 -2.763 1.00 15.00 H new ATOM 0 HB3 ASN A 250 -0.765 6.561 -4.270 1.00 15.00 H new ATOM 0 HD21 ASN A 250 0.535 9.703 -2.524 1.00 15.00 H new ATOM 0 HD22 ASN A 250 1.270 8.131 -2.855 1.00 15.00 H new ATOM 316 N HIS A 251 -4.060 7.382 -2.938 1.00 15.00 N ATOM 317 CA HIS A 251 -5.233 7.939 -3.604 1.00 15.00 C ATOM 318 C HIS A 251 -4.846 9.002 -4.630 1.00 15.00 C ATOM 319 O HIS A 251 -5.619 9.316 -5.532 1.00 15.00 O ATOM 320 CB HIS A 251 -6.196 8.534 -2.573 1.00 15.00 C ATOM 321 CG HIS A 251 -6.987 7.513 -1.809 1.00 15.00 C ATOM 322 ND1 HIS A 251 -6.430 6.625 -0.907 1.00 15.00 N ATOM 323 CD2 HIS A 251 -8.315 7.254 -1.811 1.00 15.00 C ATOM 324 CE1 HIS A 251 -7.382 5.873 -0.392 1.00 15.00 C ATOM 325 NE2 HIS A 251 -8.540 6.232 -0.921 1.00 15.00 N ATOM 0 H HIS A 251 -3.892 7.768 -2.009 1.00 15.00 H new ATOM 0 HA HIS A 251 -5.729 7.126 -4.134 1.00 15.00 H new ATOM 0 HB2 HIS A 251 -5.627 9.139 -1.867 1.00 15.00 H new ATOM 0 HB3 HIS A 251 -6.887 9.205 -3.083 1.00 15.00 H new ATOM 0 HD1 HIS A 251 -5.438 6.562 -0.677 1.00 15.00 H new ATOM 0 HD2 HIS A 251 -9.063 7.759 -2.405 1.00 15.00 H new ATOM 0 HE1 HIS A 251 -7.240 5.093 0.341 1.00 15.00 H new ATOM 334 N LYS A 252 -3.659 9.572 -4.474 1.00 15.00 N ATOM 335 CA LYS A 252 -3.144 10.533 -5.441 1.00 15.00 C ATOM 336 C LYS A 252 -2.335 9.806 -6.502 1.00 15.00 C ATOM 337 O LYS A 252 -2.113 10.318 -7.594 1.00 15.00 O ATOM 338 CB LYS A 252 -2.268 11.583 -4.750 1.00 15.00 C ATOM 339 CG LYS A 252 -1.837 12.725 -5.662 1.00 15.00 C ATOM 340 CD LYS A 252 -0.850 13.660 -4.977 1.00 15.00 C ATOM 341 CE LYS A 252 0.598 13.213 -5.156 1.00 15.00 C ATOM 342 NZ LYS A 252 0.875 11.881 -4.551 1.00 15.00 N1+ ATOM 0 H LYS A 252 -3.035 9.386 -3.689 1.00 15.00 H new ATOM 0 HA LYS A 252 -3.987 11.041 -5.909 1.00 15.00 H new ATOM 0 HB2 LYS A 252 -2.813 11.995 -3.901 1.00 15.00 H new ATOM 0 HB3 LYS A 252 -1.379 11.095 -4.351 1.00 15.00 H new ATOM 0 HG2 LYS A 252 -1.383 12.316 -6.565 1.00 15.00 H new ATOM 0 HG3 LYS A 252 -2.715 13.290 -5.975 1.00 15.00 H new ATOM 0 HD2 LYS A 252 -0.969 14.666 -5.379 1.00 15.00 H new ATOM 0 HD3 LYS A 252 -1.082 13.712 -3.913 1.00 15.00 H new ATOM 0 HE2 LYS A 252 0.833 13.179 -6.220 1.00 15.00 H new ATOM 0 HE3 LYS A 252 1.259 13.954 -4.707 1.00 15.00 H new ATOM 0 HZ1 LYS A 252 1.896 11.782 -4.381 1.00 15.00 H new ATOM 0 HZ2 LYS A 252 0.364 11.796 -3.649 1.00 15.00 H new ATOM 0 HZ3 LYS A 252 0.558 11.132 -5.200 1.00 15.00 H new ATOM 356 N ASN A 253 -1.884 8.608 -6.161 1.00 15.00 N ATOM 357 CA ASN A 253 -1.087 7.808 -7.082 1.00 15.00 C ATOM 358 C ASN A 253 -1.963 6.806 -7.820 1.00 15.00 C ATOM 359 O ASN A 253 -1.589 6.314 -8.886 1.00 15.00 O ATOM 360 CB ASN A 253 0.052 7.084 -6.345 1.00 15.00 C ATOM 361 CG ASN A 253 1.156 8.027 -5.890 1.00 15.00 C ATOM 362 OD1 ASN A 253 0.922 9.211 -5.625 1.00 15.00 O ATOM 363 ND2 ASN A 253 2.366 7.504 -5.784 1.00 15.00 N ATOM 0 H ASN A 253 -2.055 8.169 -5.257 1.00 15.00 H new ATOM 0 HA ASN A 253 -0.642 8.484 -7.812 1.00 15.00 H new ATOM 0 HB2 ASN A 253 -0.356 6.565 -5.478 1.00 15.00 H new ATOM 0 HB3 ASN A 253 0.477 6.324 -7.001 1.00 15.00 H new ATOM 0 HD21 ASN A 253 3.146 8.083 -5.474 1.00 15.00 H new ATOM 0 HD22 ASN A 253 2.519 6.522 -6.012 1.00 15.00 H new ATOM 370 N LYS A 254 -3.120 6.491 -7.232 1.00 15.00 N ATOM 371 CA LYS A 254 -4.072 5.556 -7.833 1.00 15.00 C ATOM 372 C LYS A 254 -3.410 4.181 -8.001 1.00 15.00 C ATOM 373 O LYS A 254 -3.736 3.416 -8.907 1.00 15.00 O ATOM 374 CB LYS A 254 -4.548 6.120 -9.183 1.00 15.00 C ATOM 375 CG LYS A 254 -5.716 5.370 -9.806 1.00 15.00 C ATOM 376 CD LYS A 254 -6.177 6.024 -11.098 1.00 15.00 C ATOM 377 CE LYS A 254 -6.672 7.444 -10.864 1.00 15.00 C ATOM 378 NZ LYS A 254 -7.100 8.091 -12.132 1.00 15.00 N1+ ATOM 0 H LYS A 254 -3.420 6.873 -6.335 1.00 15.00 H new ATOM 0 HA LYS A 254 -4.940 5.433 -7.185 1.00 15.00 H new ATOM 0 HB2 LYS A 254 -4.834 7.163 -9.046 1.00 15.00 H new ATOM 0 HB3 LYS A 254 -3.712 6.109 -9.882 1.00 15.00 H new ATOM 0 HG2 LYS A 254 -5.423 4.339 -10.004 1.00 15.00 H new ATOM 0 HG3 LYS A 254 -6.545 5.335 -9.099 1.00 15.00 H new ATOM 0 HD2 LYS A 254 -5.354 6.039 -11.812 1.00 15.00 H new ATOM 0 HD3 LYS A 254 -6.975 5.429 -11.543 1.00 15.00 H new ATOM 0 HE2 LYS A 254 -7.507 7.428 -10.163 1.00 15.00 H new ATOM 0 HE3 LYS A 254 -5.880 8.034 -10.403 1.00 15.00 H new ATOM 0 HZ1 LYS A 254 -7.431 9.057 -11.934 1.00 15.00 H new ATOM 0 HZ2 LYS A 254 -6.296 8.128 -12.791 1.00 15.00 H new ATOM 0 HZ3 LYS A 254 -7.872 7.541 -12.559 1.00 15.00 H new ATOM 392 N THR A 255 -2.515 3.849 -7.078 1.00 15.00 N ATOM 393 CA THR A 255 -1.693 2.651 -7.225 1.00 15.00 C ATOM 394 C THR A 255 -1.662 1.802 -5.969 1.00 15.00 C ATOM 395 O THR A 255 -1.798 2.302 -4.852 1.00 15.00 O ATOM 396 CB THR A 255 -0.222 2.967 -7.543 1.00 15.00 C ATOM 397 OG1 THR A 255 -0.071 4.318 -7.988 1.00 15.00 O ATOM 398 CG2 THR A 255 0.352 2.021 -8.586 1.00 15.00 C ATOM 0 H THR A 255 -2.340 4.385 -6.228 1.00 15.00 H new ATOM 0 HA THR A 255 -2.166 2.119 -8.050 1.00 15.00 H new ATOM 0 HB THR A 255 0.334 2.830 -6.615 1.00 15.00 H new ATOM 0 HG1 THR A 255 -0.819 4.555 -8.575 1.00 15.00 H new ATOM 0 HG21 THR A 255 1.393 2.281 -8.780 1.00 15.00 H new ATOM 0 HG22 THR A 255 0.296 0.997 -8.218 1.00 15.00 H new ATOM 0 HG23 THR A 255 -0.221 2.106 -9.509 1.00 15.00 H new ATOM 406 N THR A 256 -1.488 0.515 -6.197 1.00 15.00 N ATOM 407 CA THR A 256 -1.218 -0.443 -5.147 1.00 15.00 C ATOM 408 C THR A 256 0.088 -1.171 -5.447 1.00 15.00 C ATOM 409 O THR A 256 0.240 -1.780 -6.507 1.00 15.00 O ATOM 410 CB THR A 256 -2.333 -1.491 -5.014 1.00 15.00 C ATOM 411 OG1 THR A 256 -3.601 -0.846 -4.862 1.00 15.00 O ATOM 412 CG2 THR A 256 -2.060 -2.393 -3.818 1.00 15.00 C ATOM 0 H THR A 256 -1.531 0.102 -7.129 1.00 15.00 H new ATOM 0 HA THR A 256 -1.155 0.114 -4.212 1.00 15.00 H new ATOM 0 HB THR A 256 -2.354 -2.099 -5.919 1.00 15.00 H new ATOM 0 HG1 THR A 256 -4.132 -1.322 -4.190 1.00 15.00 H new ATOM 0 HG21 THR A 256 -2.856 -3.133 -3.731 1.00 15.00 H new ATOM 0 HG22 THR A 256 -1.105 -2.901 -3.956 1.00 15.00 H new ATOM 0 HG23 THR A 256 -2.023 -1.792 -2.910 1.00 15.00 H new ATOM 420 N SER A 257 1.026 -1.091 -4.530 1.00 15.00 N ATOM 421 CA SER A 257 2.283 -1.801 -4.662 1.00 15.00 C ATOM 422 C SER A 257 2.547 -2.581 -3.378 1.00 15.00 C ATOM 423 O SER A 257 2.149 -2.141 -2.308 1.00 15.00 O ATOM 424 CB SER A 257 3.411 -0.805 -4.946 1.00 15.00 C ATOM 425 OG SER A 257 4.623 -1.473 -5.247 1.00 15.00 O ATOM 0 H SER A 257 0.943 -0.537 -3.677 1.00 15.00 H new ATOM 0 HA SER A 257 2.236 -2.502 -5.495 1.00 15.00 H new ATOM 0 HB2 SER A 257 3.130 -0.163 -5.781 1.00 15.00 H new ATOM 0 HB3 SER A 257 3.555 -0.158 -4.080 1.00 15.00 H new ATOM 0 HG SER A 257 5.325 -0.813 -5.426 1.00 15.00 H new ATOM 431 N TRP A 258 3.205 -3.732 -3.484 1.00 15.00 N ATOM 432 CA TRP A 258 3.442 -4.581 -2.315 1.00 15.00 C ATOM 433 C TRP A 258 4.274 -3.869 -1.254 1.00 15.00 C ATOM 434 O TRP A 258 3.775 -3.453 -0.216 1.00 15.00 O ATOM 435 CB TRP A 258 4.196 -5.861 -2.705 1.00 15.00 C ATOM 436 CG TRP A 258 3.394 -6.871 -3.456 1.00 15.00 C ATOM 437 CD1 TRP A 258 3.655 -7.349 -4.704 1.00 15.00 C ATOM 438 CD2 TRP A 258 2.208 -7.533 -3.011 1.00 15.00 C ATOM 439 NE1 TRP A 258 2.715 -8.280 -5.057 1.00 15.00 N ATOM 440 CE2 TRP A 258 1.815 -8.407 -4.039 1.00 15.00 C ATOM 441 CE3 TRP A 258 1.439 -7.477 -1.842 1.00 15.00 C ATOM 442 CZ2 TRP A 258 0.696 -9.214 -3.937 1.00 15.00 C ATOM 443 CZ3 TRP A 258 0.315 -8.273 -1.751 1.00 15.00 C ATOM 444 CH2 TRP A 258 -0.041 -9.133 -2.798 1.00 15.00 C ATOM 0 H TRP A 258 3.582 -4.098 -4.358 1.00 15.00 H new ATOM 0 HA TRP A 258 2.457 -4.821 -1.914 1.00 15.00 H new ATOM 0 HB2 TRP A 258 5.059 -5.584 -3.310 1.00 15.00 H new ATOM 0 HB3 TRP A 258 4.579 -6.328 -1.798 1.00 15.00 H new ATOM 0 HD1 TRP A 258 4.483 -7.039 -5.325 1.00 15.00 H new ATOM 0 HE1 TRP A 258 2.691 -8.795 -5.937 1.00 15.00 H new ATOM 0 HE3 TRP A 258 1.720 -6.824 -1.028 1.00 15.00 H new ATOM 0 HZ2 TRP A 258 0.417 -9.886 -4.736 1.00 15.00 H new ATOM 0 HZ3 TRP A 258 -0.297 -8.232 -0.862 1.00 15.00 H new ATOM 0 HH2 TRP A 258 -0.924 -9.747 -2.697 1.00 15.00 H new ATOM 455 N LEU A 259 5.531 -3.670 -1.575 1.00 15.00 N ATOM 456 CA LEU A 259 6.544 -3.387 -0.583 1.00 15.00 C ATOM 457 C LEU A 259 7.065 -1.965 -0.651 1.00 15.00 C ATOM 458 O LEU A 259 6.909 -1.284 -1.666 1.00 15.00 O ATOM 459 CB LEU A 259 7.672 -4.394 -0.634 1.00 15.00 C ATOM 460 CG LEU A 259 7.572 -5.491 0.425 1.00 15.00 C ATOM 461 CD1 LEU A 259 8.893 -6.220 0.499 1.00 15.00 C ATOM 462 CD2 LEU A 259 7.225 -4.898 1.783 1.00 15.00 C ATOM 0 H LEU A 259 5.881 -3.700 -2.532 1.00 15.00 H new ATOM 0 HA LEU A 259 6.052 -3.484 0.385 1.00 15.00 H new ATOM 0 HB2 LEU A 259 7.689 -4.856 -1.621 1.00 15.00 H new ATOM 0 HB3 LEU A 259 8.620 -3.870 -0.511 1.00 15.00 H new ATOM 0 HG LEU A 259 6.780 -6.187 0.149 1.00 15.00 H new ATOM 0 HD11 LEU A 259 8.833 -7.006 1.252 1.00 15.00 H new ATOM 0 HD12 LEU A 259 9.119 -6.663 -0.471 1.00 15.00 H new ATOM 0 HD13 LEU A 259 9.682 -5.518 0.769 1.00 15.00 H new ATOM 0 HD21 LEU A 259 7.159 -5.696 2.522 1.00 15.00 H new ATOM 0 HD22 LEU A 259 8.000 -4.191 2.080 1.00 15.00 H new ATOM 0 HD23 LEU A 259 6.267 -4.381 1.720 1.00 15.00 H new ATOM 474 N ASP A 260 7.695 -1.531 0.442 1.00 15.00 N ATOM 475 CA ASP A 260 7.892 -0.127 0.730 1.00 15.00 C ATOM 476 C ASP A 260 8.677 0.578 -0.361 1.00 15.00 C ATOM 477 O ASP A 260 9.798 0.211 -0.710 1.00 15.00 O ATOM 478 CB ASP A 260 8.608 0.034 2.080 1.00 15.00 C ATOM 479 CG ASP A 260 9.975 -0.623 2.137 1.00 15.00 C ATOM 480 OD1 ASP A 260 10.061 -1.855 1.939 1.00 15.00 O1- ATOM 481 OD2 ASP A 260 10.960 0.084 2.408 1.00 15.00 O ATOM 0 H ASP A 260 8.082 -2.155 1.150 1.00 15.00 H new ATOM 0 HA ASP A 260 6.908 0.339 0.776 1.00 15.00 H new ATOM 0 HB2 ASP A 260 8.718 1.097 2.297 1.00 15.00 H new ATOM 0 HB3 ASP A 260 7.980 -0.388 2.865 1.00 15.00 H new ATOM 486 N PRO A 261 8.050 1.637 -0.897 1.00 15.00 N ATOM 487 CA PRO A 261 8.572 2.447 -1.977 1.00 15.00 C ATOM 488 C PRO A 261 9.539 3.448 -1.501 1.00 15.00 C ATOM 489 O PRO A 261 10.206 4.212 -2.194 1.00 15.00 O ATOM 490 CB PRO A 261 7.322 3.005 -2.655 1.00 15.00 C ATOM 491 CG PRO A 261 6.376 3.196 -1.507 1.00 15.00 C ATOM 492 CD PRO A 261 6.729 2.136 -0.480 1.00 15.00 C ATOM 0 HA PRO A 261 9.171 1.888 -2.696 1.00 15.00 H new ATOM 0 HB2 PRO A 261 7.527 3.943 -3.170 1.00 15.00 H new ATOM 0 HB3 PRO A 261 6.922 2.314 -3.397 1.00 15.00 H new ATOM 0 HG2 PRO A 261 6.476 4.195 -1.084 1.00 15.00 H new ATOM 0 HG3 PRO A 261 5.342 3.090 -1.834 1.00 15.00 H new ATOM 0 HD2 PRO A 261 6.763 2.555 0.526 1.00 15.00 H new ATOM 0 HD3 PRO A 261 5.989 1.335 -0.467 1.00 15.00 H new ATOM 500 N ARG A 262 9.480 3.378 -0.289 1.00 15.00 N ATOM 501 CA ARG A 262 10.081 4.311 0.659 1.00 15.00 C ATOM 502 C ARG A 262 11.556 3.990 0.856 1.00 15.00 C ATOM 503 O ARG A 262 12.301 4.771 1.456 1.00 15.00 O ATOM 504 CB ARG A 262 9.370 4.234 2.012 1.00 15.00 C ATOM 505 CG ARG A 262 9.806 3.040 2.845 1.00 15.00 C ATOM 506 CD ARG A 262 9.065 2.959 4.167 1.00 15.00 C ATOM 507 NE ARG A 262 9.625 1.923 5.036 1.00 15.00 N ATOM 508 CZ ARG A 262 8.970 1.343 6.042 1.00 15.00 C ATOM 509 NH1 ARG A 262 7.693 1.639 6.271 1.00 15.00 N1+ ATOM 510 NH2 ARG A 262 9.590 0.445 6.799 1.00 15.00 N ATOM 0 H ARG A 262 8.980 2.622 0.178 1.00 15.00 H new ATOM 0 HA ARG A 262 9.978 5.317 0.252 1.00 15.00 H new ATOM 0 HB2 ARG A 262 9.564 5.150 2.571 1.00 15.00 H new ATOM 0 HB3 ARG A 262 8.294 4.182 1.848 1.00 15.00 H new ATOM 0 HG2 ARG A 262 9.637 2.124 2.279 1.00 15.00 H new ATOM 0 HG3 ARG A 262 10.877 3.104 3.035 1.00 15.00 H new ATOM 0 HD2 ARG A 262 9.114 3.924 4.672 1.00 15.00 H new ATOM 0 HD3 ARG A 262 8.012 2.749 3.982 1.00 15.00 H new ATOM 0 HE ARG A 262 10.584 1.624 4.860 1.00 15.00 H new ATOM 0 HH11 ARG A 262 7.211 2.312 5.676 1.00 15.00 H new ATOM 0 HH12 ARG A 262 7.196 1.192 7.042 1.00 15.00 H new ATOM 0 HH21 ARG A 262 10.562 0.202 6.609 1.00 15.00 H new ATOM 0 HH22 ARG A 262 9.094 -0.002 7.570 1.00 15.00 H new ATOM 524 N LEU A 263 11.954 2.825 0.370 1.00 15.00 N ATOM 525 CA LEU A 263 13.296 2.324 0.572 1.00 15.00 C ATOM 526 C LEU A 263 14.252 2.960 -0.433 1.00 15.00 C ATOM 527 O LEU A 263 14.826 4.026 -0.114 1.00 15.00 O ATOM 528 CB LEU A 263 13.297 0.795 0.444 1.00 15.00 C ATOM 529 CG LEU A 263 14.619 0.111 0.804 1.00 15.00 C ATOM 530 CD1 LEU A 263 15.002 0.412 2.247 1.00 15.00 C ATOM 531 CD2 LEU A 263 14.522 -1.391 0.576 1.00 15.00 C ATOM 532 OXT LEU A 263 14.413 2.409 -1.544 1.00 15.00 O ATOM 0 H LEU A 263 11.354 2.204 -0.174 1.00 15.00 H new ATOM 0 HA LEU A 263 13.637 2.589 1.573 1.00 15.00 H new ATOM 0 HB2 LEU A 263 12.512 0.392 1.084 1.00 15.00 H new ATOM 0 HB3 LEU A 263 13.038 0.532 -0.582 1.00 15.00 H new ATOM 0 HG LEU A 263 15.399 0.507 0.154 1.00 15.00 H new ATOM 0 HD11 LEU A 263 15.944 -0.083 2.484 1.00 15.00 H new ATOM 0 HD12 LEU A 263 15.115 1.488 2.377 1.00 15.00 H new ATOM 0 HD13 LEU A 263 14.222 0.046 2.914 1.00 15.00 H new ATOM 0 HD21 LEU A 263 15.470 -1.861 0.837 1.00 15.00 H new ATOM 0 HD22 LEU A 263 13.729 -1.803 1.200 1.00 15.00 H new ATOM 0 HD23 LEU A 263 14.297 -1.586 -0.473 1.00 15.00 H new ATOM 545 N THR B 222 1.903 -13.078 -7.291 1.00 15.00 N ATOM 546 CA THR B 222 0.507 -12.610 -7.284 1.00 15.00 C ATOM 547 C THR B 222 0.451 -11.087 -7.183 1.00 15.00 C ATOM 548 O THR B 222 1.418 -10.462 -6.742 1.00 15.00 O ATOM 549 CB THR B 222 -0.266 -13.221 -6.099 1.00 15.00 C ATOM 550 OG1 THR B 222 0.558 -13.222 -4.922 1.00 15.00 O ATOM 551 CG2 THR B 222 -0.719 -14.638 -6.411 1.00 15.00 C ATOM 0 HA THR B 222 0.046 -12.928 -8.219 1.00 15.00 H new ATOM 0 HB THR B 222 -1.151 -12.610 -5.922 1.00 15.00 H new ATOM 0 HG1 THR B 222 1.496 -13.106 -5.180 1.00 15.00 H new ATOM 0 HG21 THR B 222 -1.261 -15.043 -5.557 1.00 15.00 H new ATOM 0 HG22 THR B 222 -1.372 -14.627 -7.284 1.00 15.00 H new ATOM 0 HG23 THR B 222 0.151 -15.261 -6.617 1.00 15.00 H new ATOM 561 N PRO B 223 -0.660 -10.456 -7.614 1.00 15.00 N ATOM 562 CA PRO B 223 -0.889 -9.038 -7.386 1.00 15.00 C ATOM 563 C PRO B 223 -1.575 -8.807 -6.035 1.00 15.00 C ATOM 564 O PRO B 223 -2.158 -9.736 -5.475 1.00 15.00 O ATOM 565 CB PRO B 223 -1.814 -8.631 -8.543 1.00 15.00 C ATOM 566 CG PRO B 223 -2.289 -9.900 -9.186 1.00 15.00 C ATOM 567 CD PRO B 223 -1.772 -11.051 -8.367 1.00 15.00 C ATOM 0 HA PRO B 223 0.034 -8.459 -7.357 1.00 15.00 H new ATOM 0 HB2 PRO B 223 -2.657 -8.045 -8.176 1.00 15.00 H new ATOM 0 HB3 PRO B 223 -1.282 -8.009 -9.263 1.00 15.00 H new ATOM 0 HG2 PRO B 223 -3.378 -9.921 -9.231 1.00 15.00 H new ATOM 0 HG3 PRO B 223 -1.927 -9.968 -10.212 1.00 15.00 H new ATOM 0 HD2 PRO B 223 -2.540 -11.450 -7.704 1.00 15.00 H new ATOM 0 HD3 PRO B 223 -1.436 -11.875 -8.997 1.00 15.00 H new ATOM 575 N PRO B 224 -1.547 -7.574 -5.495 1.00 15.00 N ATOM 576 CA PRO B 224 -2.128 -7.255 -4.205 1.00 15.00 C ATOM 577 C PRO B 224 -3.567 -6.780 -4.366 1.00 15.00 C ATOM 578 O PRO B 224 -4.083 -6.739 -5.487 1.00 15.00 O ATOM 579 CB PRO B 224 -1.225 -6.111 -3.700 1.00 15.00 C ATOM 580 CG PRO B 224 -0.547 -5.555 -4.918 1.00 15.00 C ATOM 581 CD PRO B 224 -1.032 -6.353 -6.103 1.00 15.00 C ATOM 0 HA PRO B 224 -2.171 -8.105 -3.524 1.00 15.00 H new ATOM 0 HB2 PRO B 224 -1.812 -5.344 -3.195 1.00 15.00 H new ATOM 0 HB3 PRO B 224 -0.494 -6.479 -2.980 1.00 15.00 H new ATOM 0 HG2 PRO B 224 -0.785 -4.499 -5.042 1.00 15.00 H new ATOM 0 HG3 PRO B 224 0.536 -5.628 -4.822 1.00 15.00 H new ATOM 0 HD2 PRO B 224 -1.806 -5.822 -6.657 1.00 15.00 H new ATOM 0 HD3 PRO B 224 -0.225 -6.562 -6.805 1.00 15.00 H new ATOM 589 N PRO B 225 -4.246 -6.439 -3.260 1.00 15.00 N ATOM 590 CA PRO B 225 -5.546 -5.774 -3.327 1.00 15.00 C ATOM 591 C PRO B 225 -5.487 -4.589 -4.290 1.00 15.00 C ATOM 592 O PRO B 225 -4.517 -3.841 -4.280 1.00 15.00 O ATOM 593 CB PRO B 225 -5.737 -5.278 -1.888 1.00 15.00 C ATOM 594 CG PRO B 225 -5.001 -6.260 -1.050 1.00 15.00 C ATOM 595 CD PRO B 225 -3.823 -6.705 -1.871 1.00 15.00 C ATOM 0 HA PRO B 225 -6.350 -6.419 -3.681 1.00 15.00 H new ATOM 0 HB2 PRO B 225 -5.339 -4.271 -1.760 1.00 15.00 H new ATOM 0 HB3 PRO B 225 -6.793 -5.240 -1.619 1.00 15.00 H new ATOM 0 HG2 PRO B 225 -4.675 -5.807 -0.114 1.00 15.00 H new ATOM 0 HG3 PRO B 225 -5.637 -7.106 -0.790 1.00 15.00 H new ATOM 0 HD2 PRO B 225 -2.922 -6.149 -1.613 1.00 15.00 H new ATOM 0 HD3 PRO B 225 -3.602 -7.761 -1.715 1.00 15.00 H new ATOM 603 N ALA B 226 -6.505 -4.444 -5.139 1.00 15.00 N ATOM 604 CA ALA B 226 -6.558 -3.342 -6.110 1.00 15.00 C ATOM 605 C ALA B 226 -6.443 -1.985 -5.418 1.00 15.00 C ATOM 606 O ALA B 226 -6.328 -1.911 -4.196 1.00 15.00 O ATOM 607 CB ALA B 226 -7.848 -3.416 -6.914 1.00 15.00 C ATOM 0 H ALA B 226 -7.306 -5.074 -5.177 1.00 15.00 H new ATOM 0 HA ALA B 226 -5.709 -3.446 -6.785 1.00 15.00 H new ATOM 0 HB1 ALA B 226 -7.878 -2.595 -7.631 1.00 15.00 H new ATOM 0 HB2 ALA B 226 -7.890 -4.365 -7.448 1.00 15.00 H new ATOM 0 HB3 ALA B 226 -8.701 -3.340 -6.240 1.00 15.00 H new ATOM 613 N TYR B 227 -6.479 -0.897 -6.178 1.00 15.00 N ATOM 614 CA TYR B 227 -6.403 0.406 -5.548 1.00 15.00 C ATOM 615 C TYR B 227 -7.700 0.662 -4.780 1.00 15.00 C ATOM 616 O TYR B 227 -8.812 0.597 -5.314 1.00 15.00 O ATOM 617 CB TYR B 227 -6.055 1.520 -6.552 1.00 15.00 C ATOM 618 CG TYR B 227 -6.516 2.883 -6.100 1.00 15.00 C ATOM 619 CD1 TYR B 227 -6.046 3.427 -4.913 1.00 15.00 C ATOM 620 CD2 TYR B 227 -7.433 3.612 -6.841 1.00 15.00 C ATOM 621 CE1 TYR B 227 -6.477 4.656 -4.476 1.00 15.00 C ATOM 622 CE2 TYR B 227 -7.868 4.850 -6.413 1.00 15.00 C ATOM 623 CZ TYR B 227 -7.388 5.367 -5.230 1.00 15.00 C ATOM 624 OH TYR B 227 -7.824 6.597 -4.799 1.00 15.00 O ATOM 0 H TYR B 227 -6.558 -0.891 -7.195 1.00 15.00 H new ATOM 0 HA TYR B 227 -5.579 0.416 -4.834 1.00 15.00 H new ATOM 0 HB2 TYR B 227 -4.976 1.540 -6.706 1.00 15.00 H new ATOM 0 HB3 TYR B 227 -6.510 1.289 -7.515 1.00 15.00 H new ATOM 0 HD1 TYR B 227 -5.329 2.875 -4.323 1.00 15.00 H new ATOM 0 HD2 TYR B 227 -7.813 3.205 -7.767 1.00 15.00 H new ATOM 0 HE1 TYR B 227 -6.105 5.063 -3.548 1.00 15.00 H new ATOM 0 HE2 TYR B 227 -8.580 5.410 -7.002 1.00 15.00 H new ATOM 0 HH TYR B 227 -8.462 6.963 -5.446 1.00 15.00 H new ATOM 634 N LEU B 228 -7.496 0.970 -3.517 1.00 15.00 N ATOM 635 CA LEU B 228 -8.448 0.749 -2.446 1.00 15.00 C ATOM 636 C LEU B 228 -8.256 1.807 -1.374 1.00 15.00 C ATOM 637 O LEU B 228 -7.174 2.378 -1.285 1.00 15.00 O ATOM 638 CB LEU B 228 -8.282 -0.647 -1.829 1.00 15.00 C ATOM 639 CG LEU B 228 -8.858 -1.803 -2.652 1.00 15.00 C ATOM 640 CD1 LEU B 228 -8.627 -3.129 -1.946 1.00 15.00 C ATOM 641 CD2 LEU B 228 -10.341 -1.591 -2.901 1.00 15.00 C ATOM 0 H LEU B 228 -6.628 1.398 -3.194 1.00 15.00 H new ATOM 0 HA LEU B 228 -9.453 0.817 -2.862 1.00 15.00 H new ATOM 0 HB2 LEU B 228 -7.219 -0.831 -1.670 1.00 15.00 H new ATOM 0 HB3 LEU B 228 -8.757 -0.650 -0.848 1.00 15.00 H new ATOM 0 HG LEU B 228 -8.344 -1.828 -3.613 1.00 15.00 H new ATOM 0 HD11 LEU B 228 -9.043 -3.938 -2.546 1.00 15.00 H new ATOM 0 HD12 LEU B 228 -7.557 -3.289 -1.813 1.00 15.00 H new ATOM 0 HD13 LEU B 228 -9.115 -3.112 -0.971 1.00 15.00 H new ATOM 0 HD21 LEU B 228 -10.734 -2.422 -3.487 1.00 15.00 H new ATOM 0 HD22 LEU B 228 -10.866 -1.539 -1.947 1.00 15.00 H new ATOM 0 HD23 LEU B 228 -10.489 -0.660 -3.447 1.00 15.00 H new ATOM 653 N PRO B 229 -9.280 2.174 -0.601 1.00 15.00 N ATOM 654 CA PRO B 229 -9.033 3.000 0.562 1.00 15.00 C ATOM 655 C PRO B 229 -8.713 2.070 1.728 1.00 15.00 C ATOM 656 O PRO B 229 -9.236 0.955 1.805 1.00 15.00 O ATOM 657 CB PRO B 229 -10.372 3.715 0.797 1.00 15.00 C ATOM 658 CG PRO B 229 -11.334 3.166 -0.215 1.00 15.00 C ATOM 659 CD PRO B 229 -10.715 1.919 -0.788 1.00 15.00 C ATOM 0 HA PRO B 229 -8.210 3.706 0.449 1.00 15.00 H new ATOM 0 HB2 PRO B 229 -10.733 3.539 1.810 1.00 15.00 H new ATOM 0 HB3 PRO B 229 -10.261 4.793 0.681 1.00 15.00 H new ATOM 0 HG2 PRO B 229 -12.294 2.940 0.250 1.00 15.00 H new ATOM 0 HG3 PRO B 229 -11.524 3.897 -1.001 1.00 15.00 H new ATOM 0 HD2 PRO B 229 -11.042 1.023 -0.261 1.00 15.00 H new ATOM 0 HD3 PRO B 229 -10.971 1.782 -1.839 1.00 15.00 H new ATOM 667 N PRO B 230 -7.890 2.529 2.679 1.00 15.00 N ATOM 668 CA PRO B 230 -6.919 1.672 3.358 1.00 15.00 C ATOM 669 C PRO B 230 -7.452 0.974 4.592 1.00 15.00 C ATOM 670 O PRO B 230 -8.329 1.472 5.300 1.00 15.00 O ATOM 671 CB PRO B 230 -5.815 2.663 3.758 1.00 15.00 C ATOM 672 CG PRO B 230 -6.299 4.025 3.355 1.00 15.00 C ATOM 673 CD PRO B 230 -7.780 3.904 3.145 1.00 15.00 C ATOM 0 HA PRO B 230 -6.603 0.855 2.710 1.00 15.00 H new ATOM 0 HB2 PRO B 230 -5.625 2.620 4.831 1.00 15.00 H new ATOM 0 HB3 PRO B 230 -4.877 2.421 3.258 1.00 15.00 H new ATOM 0 HG2 PRO B 230 -6.075 4.761 4.127 1.00 15.00 H new ATOM 0 HG3 PRO B 230 -5.804 4.359 2.443 1.00 15.00 H new ATOM 0 HD2 PRO B 230 -8.341 4.073 4.064 1.00 15.00 H new ATOM 0 HD3 PRO B 230 -8.151 4.618 2.410 1.00 15.00 H new ATOM 681 N GLU B 231 -6.876 -0.195 4.839 1.00 15.00 N ATOM 682 CA GLU B 231 -7.487 -1.178 5.727 1.00 15.00 C ATOM 683 C GLU B 231 -6.850 -1.184 7.104 1.00 15.00 C ATOM 684 O GLU B 231 -5.666 -0.905 7.268 1.00 15.00 O ATOM 685 CB GLU B 231 -7.502 -2.589 5.106 1.00 15.00 C ATOM 686 CG GLU B 231 -6.296 -2.964 4.287 1.00 15.00 C ATOM 687 CD GLU B 231 -6.544 -4.200 3.443 1.00 15.00 C ATOM 688 OE1 GLU B 231 -7.061 -4.063 2.315 1.00 15.00 O1- ATOM 689 OE2 GLU B 231 -6.236 -5.315 3.910 1.00 15.00 O ATOM 0 H GLU B 231 -5.985 -0.487 4.437 1.00 15.00 H new ATOM 0 HA GLU B 231 -8.525 -0.871 5.857 1.00 15.00 H new ATOM 0 HB2 GLU B 231 -7.611 -3.317 5.910 1.00 15.00 H new ATOM 0 HB3 GLU B 231 -8.386 -2.677 4.475 1.00 15.00 H new ATOM 0 HG2 GLU B 231 -6.025 -2.131 3.639 1.00 15.00 H new ATOM 0 HG3 GLU B 231 -5.449 -3.141 4.949 1.00 15.00 H new ATOM 696 N ASP B 232 -7.667 -1.532 8.081 1.00 15.00 N ATOM 697 CA ASP B 232 -7.322 -1.377 9.488 1.00 15.00 C ATOM 698 C ASP B 232 -6.933 -2.693 10.196 1.00 15.00 C ATOM 699 O ASP B 232 -6.178 -2.621 11.167 1.00 15.00 O ATOM 700 CB ASP B 232 -8.481 -0.723 10.251 1.00 15.00 C ATOM 701 CG ASP B 232 -8.884 0.624 9.678 1.00 15.00 C ATOM 702 OD1 ASP B 232 -9.767 0.655 8.789 1.00 15.00 O1- ATOM 703 OD2 ASP B 232 -8.336 1.656 10.116 1.00 15.00 O ATOM 0 H ASP B 232 -8.592 -1.932 7.924 1.00 15.00 H new ATOM 0 HA ASP B 232 -6.437 -0.741 9.500 1.00 15.00 H new ATOM 0 HB2 ASP B 232 -9.342 -1.391 10.234 1.00 15.00 H new ATOM 0 HB3 ASP B 232 -8.196 -0.597 11.295 1.00 15.00 H new ATOM 708 N PRO B 233 -7.475 -3.889 9.782 1.00 15.00 N ATOM 709 CA PRO B 233 -7.181 -5.195 10.390 1.00 15.00 C ATOM 710 C PRO B 233 -5.844 -5.280 11.126 1.00 15.00 C ATOM 711 O PRO B 233 -4.785 -5.236 10.466 1.00 15.00 O ATOM 712 CB PRO B 233 -7.183 -6.123 9.176 1.00 15.00 C ATOM 713 CG PRO B 233 -8.091 -5.476 8.172 1.00 15.00 C ATOM 714 CD PRO B 233 -8.444 -4.102 8.697 1.00 15.00 C ATOM 715 OXT PRO B 233 -5.864 -5.407 12.371 1.00 15.00 O ATOM 0 HA PRO B 233 -7.904 -5.437 11.169 1.00 15.00 H new ATOM 0 HB2 PRO B 233 -6.177 -6.244 8.774 1.00 15.00 H new ATOM 0 HB3 PRO B 233 -7.541 -7.117 9.444 1.00 15.00 H new ATOM 0 HG2 PRO B 233 -7.599 -5.401 7.202 1.00 15.00 H new ATOM 0 HG3 PRO B 233 -8.991 -6.074 8.027 1.00 15.00 H new ATOM 0 HD2 PRO B 233 -8.353 -3.341 7.922 1.00 15.00 H new ATOM 0 HD3 PRO B 233 -9.470 -4.063 9.062 1.00 15.00 H new