USER MOD reduce.3.24.130724 H: found=0, std=0, add=347, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 353 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 250 ASN : amide:sc= 0.578 K(o=0.62,f=-14!) USER MOD Set 1.2: A 253 ASN : amide:sc= 0.0375 K(o=0.62,f=-3.7!) USER MOD Single : A 238 GLN : amide:sc= -0.664 K(o=-0.66,f=-5.9!) USER MOD Single : A 240 MET CE :methyl -160:sc= -0.104 (180deg=-0.596) USER MOD Single : A 241 THR OG1 : rot 180:sc= 0 USER MOD Single : A 242 GLN : amide:sc= 0 K(o=0,f=-0.51) USER MOD Single : A 247 TYR OH : rot 180:sc= -1.11 USER MOD Single : A 248 TYR OH : rot -132:sc= -2.67! USER MOD Single : A 251 HIS : no HE2:sc= -4.9! C(o=-4.9!,f=-7!) USER MOD Single : A 252 LYS NZ :NH3+ -110:sc= 0.382 (180deg=-0.166) USER MOD Single : A 254 LYS NZ :NH3+ -136:sc= -0.834 (180deg=-3.08!) USER MOD Single : A 255 THR OG1 : rot 180:sc= 0 USER MOD Single : A 256 THR OG1 : rot 156:sc= 0.125 USER MOD Single : A 257 SER OG : rot 139:sc= 0.784 USER MOD Single : B 206 SER OG : rot 29:sc= 0.0762 USER MOD Single : B 211 TYR OH : rot 180:sc= -0.968! USER MOD Single : B 212 SER OG : rot 180:sc= -0.0221 USER MOD Single : B 214 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 230 8.938 -1.580 -5.238 1.00 15.00 N ATOM 2 CA GLY A 230 10.188 -2.380 -5.292 1.00 15.00 C ATOM 3 C GLY A 230 10.823 -2.510 -3.925 1.00 15.00 C ATOM 4 O GLY A 230 10.372 -3.310 -3.102 1.00 15.00 O ATOM 0 HA2 GLY A 230 9.970 -3.372 -5.689 1.00 15.00 H new ATOM 0 HA3 GLY A 230 10.892 -1.910 -5.978 1.00 15.00 H new ATOM 10 N PRO A 231 11.888 -1.744 -3.658 1.00 15.00 N ATOM 11 CA PRO A 231 12.485 -1.648 -2.336 1.00 15.00 C ATOM 12 C PRO A 231 11.756 -0.613 -1.489 1.00 15.00 C ATOM 13 O PRO A 231 11.642 0.543 -1.884 1.00 15.00 O ATOM 14 CB PRO A 231 13.929 -1.195 -2.614 1.00 15.00 C ATOM 15 CG PRO A 231 14.020 -0.956 -4.094 1.00 15.00 C ATOM 16 CD PRO A 231 12.612 -0.917 -4.621 1.00 15.00 C ATOM 0 HA PRO A 231 12.434 -2.587 -1.784 1.00 15.00 H new ATOM 0 HB2 PRO A 231 14.165 -0.287 -2.059 1.00 15.00 H new ATOM 0 HB3 PRO A 231 14.643 -1.956 -2.299 1.00 15.00 H new ATOM 0 HG2 PRO A 231 14.536 -0.019 -4.302 1.00 15.00 H new ATOM 0 HG3 PRO A 231 14.591 -1.748 -4.578 1.00 15.00 H new ATOM 0 HD2 PRO A 231 12.221 0.100 -4.657 1.00 15.00 H new ATOM 0 HD3 PRO A 231 12.546 -1.320 -5.632 1.00 15.00 H new ATOM 24 N LEU A 232 11.253 -1.024 -0.337 1.00 15.00 N ATOM 25 CA LEU A 232 10.471 -0.128 0.507 1.00 15.00 C ATOM 26 C LEU A 232 11.095 0.030 1.889 1.00 15.00 C ATOM 27 O LEU A 232 11.896 -0.804 2.302 1.00 15.00 O ATOM 28 CB LEU A 232 9.006 -0.558 0.651 1.00 15.00 C ATOM 29 CG LEU A 232 8.097 -0.213 -0.528 1.00 15.00 C ATOM 30 CD1 LEU A 232 8.192 1.246 -0.918 1.00 15.00 C ATOM 31 CD2 LEU A 232 8.392 -1.088 -1.725 1.00 15.00 C ATOM 0 H LEU A 232 11.370 -1.966 0.036 1.00 15.00 H new ATOM 0 HA LEU A 232 10.483 0.834 -0.006 1.00 15.00 H new ATOM 0 HB2 LEU A 232 8.976 -1.637 0.806 1.00 15.00 H new ATOM 0 HB3 LEU A 232 8.597 -0.096 1.549 1.00 15.00 H new ATOM 0 HG LEU A 232 7.077 -0.404 -0.195 1.00 15.00 H new ATOM 0 HD11 LEU A 232 7.528 1.442 -1.760 1.00 15.00 H new ATOM 0 HD12 LEU A 232 7.899 1.868 -0.073 1.00 15.00 H new ATOM 0 HD13 LEU A 232 9.218 1.480 -1.203 1.00 15.00 H new ATOM 0 HD21 LEU A 232 7.728 -0.817 -2.546 1.00 15.00 H new ATOM 0 HD22 LEU A 232 9.428 -0.946 -2.033 1.00 15.00 H new ATOM 0 HD23 LEU A 232 8.233 -2.133 -1.460 1.00 15.00 H new ATOM 43 N PRO A 233 10.720 1.103 2.632 1.00 15.00 N ATOM 44 CA PRO A 233 11.266 1.411 3.974 1.00 15.00 C ATOM 45 C PRO A 233 11.035 0.310 5.010 1.00 15.00 C ATOM 46 O PRO A 233 11.503 0.428 6.143 1.00 15.00 O ATOM 47 CB PRO A 233 10.459 2.653 4.367 1.00 15.00 C ATOM 48 CG PRO A 233 10.218 3.306 3.074 1.00 15.00 C ATOM 49 CD PRO A 233 9.771 2.168 2.221 1.00 15.00 C ATOM 0 HA PRO A 233 12.349 1.532 3.945 1.00 15.00 H new ATOM 0 HB2 PRO A 233 9.527 2.389 4.867 1.00 15.00 H new ATOM 0 HB3 PRO A 233 11.014 3.297 5.048 1.00 15.00 H new ATOM 0 HG2 PRO A 233 9.457 4.083 3.147 1.00 15.00 H new ATOM 0 HG3 PRO A 233 11.119 3.778 2.683 1.00 15.00 H new ATOM 0 HD2 PRO A 233 8.735 1.892 2.415 1.00 15.00 H new ATOM 0 HD3 PRO A 233 9.846 2.397 1.158 1.00 15.00 H new ATOM 57 N ASP A 234 10.229 -0.688 4.637 1.00 15.00 N ATOM 58 CA ASP A 234 9.928 -1.856 5.481 1.00 15.00 C ATOM 59 C ASP A 234 8.765 -1.554 6.399 1.00 15.00 C ATOM 60 O ASP A 234 8.433 -2.334 7.293 1.00 15.00 O ATOM 61 CB ASP A 234 11.146 -2.315 6.299 1.00 15.00 C ATOM 62 CG ASP A 234 12.238 -2.926 5.442 1.00 15.00 C ATOM 63 OD1 ASP A 234 13.050 -2.168 4.871 1.00 15.00 O ATOM 64 OD2 ASP A 234 12.296 -4.170 5.356 1.00 15.00 O1- ATOM 0 H ASP A 234 9.760 -0.711 3.731 1.00 15.00 H new ATOM 0 HA ASP A 234 9.660 -2.675 4.814 1.00 15.00 H new ATOM 0 HB2 ASP A 234 11.553 -1.463 6.844 1.00 15.00 H new ATOM 0 HB3 ASP A 234 10.824 -3.044 7.042 1.00 15.00 H new ATOM 69 N GLY A 235 8.125 -0.428 6.147 1.00 15.00 N ATOM 70 CA GLY A 235 6.886 -0.121 6.817 1.00 15.00 C ATOM 71 C GLY A 235 5.702 -0.601 6.009 1.00 15.00 C ATOM 72 O GLY A 235 4.715 -1.086 6.561 1.00 15.00 O ATOM 0 H GLY A 235 8.443 0.282 5.487 1.00 15.00 H new ATOM 0 HA2 GLY A 235 6.874 -0.590 7.801 1.00 15.00 H new ATOM 0 HA3 GLY A 235 6.811 0.955 6.976 1.00 15.00 H new ATOM 76 N TRP A 236 5.818 -0.499 4.692 1.00 15.00 N ATOM 77 CA TRP A 236 4.728 -0.854 3.800 1.00 15.00 C ATOM 78 C TRP A 236 5.124 -1.809 2.692 1.00 15.00 C ATOM 79 O TRP A 236 6.252 -1.812 2.206 1.00 15.00 O ATOM 80 CB TRP A 236 4.025 0.378 3.225 1.00 15.00 C ATOM 81 CG TRP A 236 4.866 1.607 3.058 1.00 15.00 C ATOM 82 CD1 TRP A 236 6.184 1.706 2.710 1.00 15.00 C ATOM 83 CD2 TRP A 236 4.400 2.943 3.243 1.00 15.00 C ATOM 84 NE1 TRP A 236 6.555 3.027 2.678 1.00 15.00 N ATOM 85 CE2 TRP A 236 5.476 3.803 3.004 1.00 15.00 C ATOM 86 CE3 TRP A 236 3.164 3.489 3.592 1.00 15.00 C ATOM 87 CZ2 TRP A 236 5.356 5.187 3.108 1.00 15.00 C ATOM 88 CZ3 TRP A 236 3.044 4.860 3.693 1.00 15.00 C ATOM 89 CH2 TRP A 236 4.139 5.696 3.453 1.00 15.00 C ATOM 0 H TRP A 236 6.660 -0.172 4.218 1.00 15.00 H new ATOM 0 HA TRP A 236 4.020 -1.391 4.431 1.00 15.00 H new ATOM 0 HB2 TRP A 236 3.611 0.112 2.252 1.00 15.00 H new ATOM 0 HB3 TRP A 236 3.184 0.625 3.873 1.00 15.00 H new ATOM 0 HD1 TRP A 236 6.835 0.872 2.493 1.00 15.00 H new ATOM 0 HE1 TRP A 236 7.486 3.375 2.448 1.00 15.00 H new ATOM 0 HE3 TRP A 236 2.315 2.849 3.780 1.00 15.00 H new ATOM 0 HZ2 TRP A 236 6.199 5.836 2.921 1.00 15.00 H new ATOM 0 HZ3 TRP A 236 2.092 5.293 3.961 1.00 15.00 H new ATOM 0 HH2 TRP A 236 4.018 6.765 3.543 1.00 15.00 H new ATOM 100 N GLU A 237 4.129 -2.592 2.301 1.00 15.00 N ATOM 101 CA GLU A 237 4.262 -3.681 1.359 1.00 15.00 C ATOM 102 C GLU A 237 3.060 -3.622 0.407 1.00 15.00 C ATOM 103 O GLU A 237 1.932 -3.391 0.851 1.00 15.00 O ATOM 104 CB GLU A 237 4.332 -4.982 2.183 1.00 15.00 C ATOM 105 CG GLU A 237 3.785 -6.231 1.524 1.00 15.00 C ATOM 106 CD GLU A 237 4.632 -6.735 0.367 1.00 15.00 C ATOM 107 OE1 GLU A 237 4.930 -5.958 -0.565 1.00 15.00 O ATOM 108 OE2 GLU A 237 4.997 -7.927 0.388 1.00 15.00 O1- ATOM 0 H GLU A 237 3.176 -2.478 2.646 1.00 15.00 H new ATOM 0 HA GLU A 237 5.162 -3.624 0.746 1.00 15.00 H new ATOM 0 HB2 GLU A 237 5.374 -5.164 2.445 1.00 15.00 H new ATOM 0 HB3 GLU A 237 3.791 -4.824 3.116 1.00 15.00 H new ATOM 0 HG2 GLU A 237 3.703 -7.019 2.272 1.00 15.00 H new ATOM 0 HG3 GLU A 237 2.777 -6.028 1.163 1.00 15.00 H new ATOM 115 N GLN A 238 3.299 -3.831 -0.884 1.00 15.00 N ATOM 116 CA GLN A 238 2.312 -3.498 -1.911 1.00 15.00 C ATOM 117 C GLN A 238 1.367 -4.674 -2.208 1.00 15.00 C ATOM 118 O GLN A 238 1.816 -5.803 -2.428 1.00 15.00 O ATOM 119 CB GLN A 238 3.035 -3.039 -3.191 1.00 15.00 C ATOM 120 CG GLN A 238 2.117 -2.680 -4.353 1.00 15.00 C ATOM 121 CD GLN A 238 1.911 -3.831 -5.329 1.00 15.00 C ATOM 122 OE1 GLN A 238 0.983 -4.621 -5.196 1.00 15.00 O ATOM 123 NE2 GLN A 238 2.785 -3.931 -6.318 1.00 15.00 N ATOM 0 H GLN A 238 4.166 -4.229 -1.246 1.00 15.00 H new ATOM 0 HA GLN A 238 1.692 -2.685 -1.534 1.00 15.00 H new ATOM 0 HB2 GLN A 238 3.650 -2.172 -2.952 1.00 15.00 H new ATOM 0 HB3 GLN A 238 3.711 -3.831 -3.513 1.00 15.00 H new ATOM 0 HG2 GLN A 238 1.150 -2.367 -3.961 1.00 15.00 H new ATOM 0 HG3 GLN A 238 2.535 -1.828 -4.889 1.00 15.00 H new ATOM 0 HE21 GLN A 238 3.545 -3.255 -6.397 1.00 15.00 H new ATOM 0 HE22 GLN A 238 2.699 -4.684 -7.001 1.00 15.00 H new ATOM 132 N ALA A 239 0.058 -4.395 -2.233 1.00 15.00 N ATOM 133 CA ALA A 239 -0.943 -5.384 -2.596 1.00 15.00 C ATOM 134 C ALA A 239 -1.776 -4.865 -3.766 1.00 15.00 C ATOM 135 O ALA A 239 -1.947 -3.656 -3.924 1.00 15.00 O ATOM 136 CB ALA A 239 -1.832 -5.707 -1.404 1.00 15.00 C ATOM 0 H ALA A 239 -0.327 -3.479 -2.002 1.00 15.00 H new ATOM 0 HA ALA A 239 -0.442 -6.303 -2.900 1.00 15.00 H new ATOM 0 HB1 ALA A 239 -2.575 -6.449 -1.695 1.00 15.00 H new ATOM 0 HB2 ALA A 239 -1.222 -6.103 -0.592 1.00 15.00 H new ATOM 0 HB3 ALA A 239 -2.336 -4.800 -1.070 1.00 15.00 H new ATOM 142 N MET A 240 -2.275 -5.769 -4.595 1.00 15.00 N ATOM 143 CA MET A 240 -3.020 -5.384 -5.789 1.00 15.00 C ATOM 144 C MET A 240 -4.519 -5.565 -5.577 1.00 15.00 C ATOM 145 O MET A 240 -4.962 -6.632 -5.157 1.00 15.00 O ATOM 146 CB MET A 240 -2.571 -6.236 -6.981 1.00 15.00 C ATOM 147 CG MET A 240 -1.097 -6.092 -7.322 1.00 15.00 C ATOM 148 SD MET A 240 -0.578 -7.186 -8.661 1.00 15.00 S ATOM 149 CE MET A 240 -0.801 -8.794 -7.900 1.00 15.00 C ATOM 0 H MET A 240 -2.179 -6.776 -4.465 1.00 15.00 H new ATOM 0 HA MET A 240 -2.819 -4.332 -5.990 1.00 15.00 H new ATOM 0 HB2 MET A 240 -2.783 -7.283 -6.767 1.00 15.00 H new ATOM 0 HB3 MET A 240 -3.164 -5.963 -7.854 1.00 15.00 H new ATOM 0 HG2 MET A 240 -0.893 -5.059 -7.604 1.00 15.00 H new ATOM 0 HG3 MET A 240 -0.501 -6.304 -6.434 1.00 15.00 H new ATOM 0 HE1 MET A 240 -0.209 -9.536 -8.437 1.00 15.00 H new ATOM 0 HE2 MET A 240 -0.475 -8.753 -6.861 1.00 15.00 H new ATOM 0 HE3 MET A 240 -1.854 -9.072 -7.940 1.00 15.00 H new ATOM 159 N THR A 241 -5.300 -4.530 -5.869 1.00 15.00 N ATOM 160 CA THR A 241 -6.749 -4.656 -5.838 1.00 15.00 C ATOM 161 C THR A 241 -7.286 -4.837 -7.254 1.00 15.00 C ATOM 162 O THR A 241 -6.776 -4.234 -8.210 1.00 15.00 O ATOM 163 CB THR A 241 -7.453 -3.453 -5.155 1.00 15.00 C ATOM 164 OG1 THR A 241 -8.868 -3.679 -5.110 1.00 15.00 O ATOM 165 CG2 THR A 241 -7.184 -2.143 -5.881 1.00 15.00 C ATOM 0 H THR A 241 -4.957 -3.605 -6.127 1.00 15.00 H new ATOM 0 HA THR A 241 -6.974 -5.535 -5.235 1.00 15.00 H new ATOM 0 HB THR A 241 -7.047 -3.371 -4.147 1.00 15.00 H new ATOM 0 HG1 THR A 241 -9.307 -2.918 -4.677 1.00 15.00 H new ATOM 0 HG21 THR A 241 -7.697 -1.330 -5.367 1.00 15.00 H new ATOM 0 HG22 THR A 241 -6.112 -1.946 -5.892 1.00 15.00 H new ATOM 0 HG23 THR A 241 -7.550 -2.213 -6.905 1.00 15.00 H new ATOM 173 N GLN A 242 -8.322 -5.662 -7.377 1.00 15.00 N ATOM 174 CA GLN A 242 -8.904 -6.003 -8.670 1.00 15.00 C ATOM 175 C GLN A 242 -9.575 -4.785 -9.307 1.00 15.00 C ATOM 176 O GLN A 242 -9.962 -4.810 -10.477 1.00 15.00 O ATOM 177 CB GLN A 242 -9.899 -7.157 -8.507 1.00 15.00 C ATOM 178 CG GLN A 242 -10.447 -7.694 -9.820 1.00 15.00 C ATOM 179 CD GLN A 242 -11.300 -8.931 -9.631 1.00 15.00 C ATOM 180 OE1 GLN A 242 -11.915 -9.122 -8.581 1.00 15.00 O ATOM 181 NE2 GLN A 242 -11.352 -9.775 -10.649 1.00 15.00 N ATOM 0 H GLN A 242 -8.780 -6.112 -6.585 1.00 15.00 H new ATOM 0 HA GLN A 242 -8.105 -6.324 -9.338 1.00 15.00 H new ATOM 0 HB2 GLN A 242 -9.411 -7.970 -7.970 1.00 15.00 H new ATOM 0 HB3 GLN A 242 -10.731 -6.820 -7.889 1.00 15.00 H new ATOM 0 HG2 GLN A 242 -11.039 -6.919 -10.306 1.00 15.00 H new ATOM 0 HG3 GLN A 242 -9.618 -7.927 -10.488 1.00 15.00 H new ATOM 0 HE21 GLN A 242 -10.827 -9.579 -11.501 1.00 15.00 H new ATOM 0 HE22 GLN A 242 -11.917 -10.621 -10.581 1.00 15.00 H new ATOM 190 N ASP A 243 -9.700 -3.715 -8.529 1.00 15.00 N ATOM 191 CA ASP A 243 -10.229 -2.451 -9.032 1.00 15.00 C ATOM 192 C ASP A 243 -9.272 -1.847 -10.066 1.00 15.00 C ATOM 193 O ASP A 243 -9.600 -0.873 -10.750 1.00 15.00 O ATOM 194 CB ASP A 243 -10.464 -1.474 -7.874 1.00 15.00 C ATOM 195 CG ASP A 243 -11.213 -0.225 -8.296 1.00 15.00 C ATOM 196 OD1 ASP A 243 -12.387 -0.341 -8.716 1.00 15.00 O ATOM 197 OD2 ASP A 243 -10.649 0.878 -8.180 1.00 15.00 O1- ATOM 0 H ASP A 243 -9.441 -3.698 -7.543 1.00 15.00 H new ATOM 0 HA ASP A 243 -11.185 -2.641 -9.520 1.00 15.00 H new ATOM 0 HB2 ASP A 243 -11.025 -1.979 -7.088 1.00 15.00 H new ATOM 0 HB3 ASP A 243 -9.503 -1.188 -7.447 1.00 15.00 H new ATOM 202 N GLY A 244 -8.090 -2.448 -10.181 1.00 15.00 N ATOM 203 CA GLY A 244 -7.144 -2.054 -11.208 1.00 15.00 C ATOM 204 C GLY A 244 -6.012 -1.177 -10.704 1.00 15.00 C ATOM 205 O GLY A 244 -5.389 -0.466 -11.490 1.00 15.00 O ATOM 0 H GLY A 244 -7.771 -3.205 -9.577 1.00 15.00 H new ATOM 0 HA2 GLY A 244 -6.721 -2.951 -11.660 1.00 15.00 H new ATOM 0 HA3 GLY A 244 -7.679 -1.522 -11.995 1.00 15.00 H new ATOM 209 N GLU A 245 -5.717 -1.237 -9.410 1.00 15.00 N ATOM 210 CA GLU A 245 -4.678 -0.391 -8.834 1.00 15.00 C ATOM 211 C GLU A 245 -3.916 -1.127 -7.741 1.00 15.00 C ATOM 212 O GLU A 245 -4.459 -2.003 -7.066 1.00 15.00 O ATOM 213 CB GLU A 245 -5.282 0.904 -8.270 1.00 15.00 C ATOM 214 CG GLU A 245 -5.763 1.870 -9.342 1.00 15.00 C ATOM 215 CD GLU A 245 -6.255 3.187 -8.783 1.00 15.00 C ATOM 216 OE1 GLU A 245 -5.441 4.126 -8.651 1.00 15.00 O1- ATOM 217 OE2 GLU A 245 -7.464 3.305 -8.502 1.00 15.00 O ATOM 0 H GLU A 245 -6.178 -1.857 -8.745 1.00 15.00 H new ATOM 0 HA GLU A 245 -3.979 -0.136 -9.631 1.00 15.00 H new ATOM 0 HB2 GLU A 245 -6.119 0.651 -7.619 1.00 15.00 H new ATOM 0 HB3 GLU A 245 -4.536 1.403 -7.651 1.00 15.00 H new ATOM 0 HG2 GLU A 245 -4.949 2.061 -10.041 1.00 15.00 H new ATOM 0 HG3 GLU A 245 -6.567 1.401 -9.910 1.00 15.00 H new ATOM 224 N ILE A 246 -2.654 -0.774 -7.578 1.00 15.00 N ATOM 225 CA ILE A 246 -1.841 -1.316 -6.505 1.00 15.00 C ATOM 226 C ILE A 246 -1.799 -0.322 -5.352 1.00 15.00 C ATOM 227 O ILE A 246 -1.780 0.886 -5.577 1.00 15.00 O ATOM 228 CB ILE A 246 -0.408 -1.629 -6.985 1.00 15.00 C ATOM 229 CG1 ILE A 246 0.266 -0.363 -7.522 1.00 15.00 C ATOM 230 CG2 ILE A 246 -0.439 -2.715 -8.053 1.00 15.00 C ATOM 231 CD1 ILE A 246 1.694 -0.577 -7.973 1.00 15.00 C ATOM 0 H ILE A 246 -2.167 -0.110 -8.180 1.00 15.00 H new ATOM 0 HA ILE A 246 -2.291 -2.251 -6.172 1.00 15.00 H new ATOM 0 HB ILE A 246 0.174 -1.991 -6.138 1.00 15.00 H new ATOM 0 HG12 ILE A 246 -0.316 0.020 -8.360 1.00 15.00 H new ATOM 0 HG13 ILE A 246 0.250 0.403 -6.746 1.00 15.00 H new ATOM 0 HG21 ILE A 246 0.577 -2.928 -8.385 1.00 15.00 H new ATOM 0 HG22 ILE A 246 -0.883 -3.620 -7.639 1.00 15.00 H new ATOM 0 HG23 ILE A 246 -1.034 -2.375 -8.901 1.00 15.00 H new ATOM 0 HD11 ILE A 246 2.104 0.364 -8.340 1.00 15.00 H new ATOM 0 HD12 ILE A 246 2.292 -0.930 -7.133 1.00 15.00 H new ATOM 0 HD13 ILE A 246 1.716 -1.319 -8.771 1.00 15.00 H new ATOM 243 N TYR A 247 -1.811 -0.818 -4.125 1.00 15.00 N ATOM 244 CA TYR A 247 -1.847 0.060 -2.966 1.00 15.00 C ATOM 245 C TYR A 247 -0.852 -0.404 -1.891 1.00 15.00 C ATOM 246 O TYR A 247 -0.682 -1.607 -1.671 1.00 15.00 O ATOM 247 CB TYR A 247 -3.276 0.132 -2.392 1.00 15.00 C ATOM 248 CG TYR A 247 -3.855 -1.197 -1.946 1.00 15.00 C ATOM 249 CD1 TYR A 247 -4.356 -2.112 -2.864 1.00 15.00 C ATOM 250 CD2 TYR A 247 -3.896 -1.532 -0.599 1.00 15.00 C ATOM 251 CE1 TYR A 247 -4.879 -3.320 -2.451 1.00 15.00 C ATOM 252 CE2 TYR A 247 -4.419 -2.742 -0.175 1.00 15.00 C ATOM 253 CZ TYR A 247 -4.908 -3.631 -1.109 1.00 15.00 C ATOM 254 OH TYR A 247 -5.429 -4.838 -0.703 1.00 15.00 O ATOM 0 H TYR A 247 -1.797 -1.814 -3.907 1.00 15.00 H new ATOM 0 HA TYR A 247 -1.551 1.059 -3.286 1.00 15.00 H new ATOM 0 HB2 TYR A 247 -3.276 0.815 -1.542 1.00 15.00 H new ATOM 0 HB3 TYR A 247 -3.934 0.563 -3.147 1.00 15.00 H new ATOM 0 HD1 TYR A 247 -4.336 -1.874 -3.917 1.00 15.00 H new ATOM 0 HD2 TYR A 247 -3.513 -0.835 0.132 1.00 15.00 H new ATOM 0 HE1 TYR A 247 -5.265 -4.020 -3.178 1.00 15.00 H new ATOM 0 HE2 TYR A 247 -4.444 -2.987 0.877 1.00 15.00 H new ATOM 0 HH TYR A 247 -5.376 -4.905 0.273 1.00 15.00 H new ATOM 264 N TYR A 248 -0.209 0.551 -1.218 1.00 15.00 N ATOM 265 CA TYR A 248 0.740 0.251 -0.159 1.00 15.00 C ATOM 266 C TYR A 248 0.089 0.351 1.208 1.00 15.00 C ATOM 267 O TYR A 248 -0.361 1.423 1.622 1.00 15.00 O ATOM 268 CB TYR A 248 1.944 1.194 -0.217 1.00 15.00 C ATOM 269 CG TYR A 248 3.038 0.706 -1.130 1.00 15.00 C ATOM 270 CD1 TYR A 248 3.009 0.973 -2.491 1.00 15.00 C ATOM 271 CD2 TYR A 248 4.095 -0.038 -0.628 1.00 15.00 C ATOM 272 CE1 TYR A 248 4.001 0.505 -3.328 1.00 15.00 C ATOM 273 CE2 TYR A 248 5.088 -0.502 -1.458 1.00 15.00 C ATOM 274 CZ TYR A 248 5.037 -0.231 -2.809 1.00 15.00 C ATOM 275 OH TYR A 248 6.023 -0.706 -3.645 1.00 15.00 O ATOM 0 H TYR A 248 -0.334 1.548 -1.395 1.00 15.00 H new ATOM 0 HA TYR A 248 1.080 -0.773 -0.314 1.00 15.00 H new ATOM 0 HB2 TYR A 248 1.612 2.177 -0.552 1.00 15.00 H new ATOM 0 HB3 TYR A 248 2.347 1.319 0.788 1.00 15.00 H new ATOM 0 HD1 TYR A 248 2.198 1.556 -2.902 1.00 15.00 H new ATOM 0 HD2 TYR A 248 4.139 -0.256 0.429 1.00 15.00 H new ATOM 0 HE1 TYR A 248 3.963 0.717 -4.386 1.00 15.00 H new ATOM 0 HE2 TYR A 248 5.907 -1.078 -1.052 1.00 15.00 H new ATOM 0 HH TYR A 248 6.182 -1.655 -3.457 1.00 15.00 H new ATOM 285 N ILE A 249 0.029 -0.771 1.901 1.00 15.00 N ATOM 286 CA ILE A 249 -0.414 -0.786 3.275 1.00 15.00 C ATOM 287 C ILE A 249 0.792 -0.715 4.205 1.00 15.00 C ATOM 288 O ILE A 249 1.699 -1.546 4.122 1.00 15.00 O ATOM 289 CB ILE A 249 -1.246 -2.049 3.594 1.00 15.00 C ATOM 290 CG1 ILE A 249 -0.564 -3.306 3.051 1.00 15.00 C ATOM 291 CG2 ILE A 249 -2.649 -1.921 3.033 1.00 15.00 C ATOM 292 CD1 ILE A 249 -1.279 -4.594 3.404 1.00 15.00 C ATOM 0 H ILE A 249 0.284 -1.686 1.529 1.00 15.00 H new ATOM 0 HA ILE A 249 -1.054 0.083 3.430 1.00 15.00 H new ATOM 0 HB ILE A 249 -1.315 -2.142 4.678 1.00 15.00 H new ATOM 0 HG12 ILE A 249 -0.491 -3.228 1.966 1.00 15.00 H new ATOM 0 HG13 ILE A 249 0.455 -3.350 3.437 1.00 15.00 H new ATOM 0 HG21 ILE A 249 -3.218 -2.820 3.268 1.00 15.00 H new ATOM 0 HG22 ILE A 249 -3.140 -1.054 3.476 1.00 15.00 H new ATOM 0 HG23 ILE A 249 -2.598 -1.796 1.951 1.00 15.00 H new ATOM 0 HD11 ILE A 249 -0.734 -5.439 2.984 1.00 15.00 H new ATOM 0 HD12 ILE A 249 -1.329 -4.697 4.488 1.00 15.00 H new ATOM 0 HD13 ILE A 249 -2.289 -4.573 2.995 1.00 15.00 H new ATOM 304 N ASN A 250 0.811 0.278 5.083 1.00 15.00 N ATOM 305 CA ASN A 250 1.902 0.425 6.036 1.00 15.00 C ATOM 306 C ASN A 250 1.544 -0.365 7.299 1.00 15.00 C ATOM 307 O ASN A 250 0.601 0.010 8.000 1.00 15.00 O ATOM 308 CB ASN A 250 2.145 1.912 6.364 1.00 15.00 C ATOM 309 CG ASN A 250 3.263 2.145 7.376 1.00 15.00 C ATOM 310 OD1 ASN A 250 3.530 1.318 8.245 1.00 15.00 O ATOM 311 ND2 ASN A 250 3.920 3.289 7.273 1.00 15.00 N ATOM 0 H ASN A 250 0.086 0.992 5.155 1.00 15.00 H new ATOM 0 HA ASN A 250 2.826 0.036 5.608 1.00 15.00 H new ATOM 0 HB2 ASN A 250 2.385 2.443 5.443 1.00 15.00 H new ATOM 0 HB3 ASN A 250 1.222 2.345 6.750 1.00 15.00 H new ATOM 0 HD21 ASN A 250 4.673 3.505 7.926 1.00 15.00 H new ATOM 0 HD22 ASN A 250 3.674 3.954 6.540 1.00 15.00 H new ATOM 318 N HIS A 251 2.284 -1.452 7.594 1.00 15.00 N ATOM 319 CA HIS A 251 1.872 -2.405 8.614 1.00 15.00 C ATOM 320 C HIS A 251 2.329 -1.927 9.985 1.00 15.00 C ATOM 321 O HIS A 251 1.938 -2.475 11.016 1.00 15.00 O ATOM 322 CB HIS A 251 2.453 -3.810 8.336 1.00 15.00 C ATOM 323 CG HIS A 251 2.354 -4.282 6.902 1.00 15.00 C ATOM 324 ND1 HIS A 251 1.735 -5.455 6.515 1.00 15.00 N ATOM 325 CD2 HIS A 251 2.878 -3.764 5.773 1.00 15.00 C ATOM 326 CE1 HIS A 251 1.898 -5.635 5.221 1.00 15.00 C ATOM 327 NE2 HIS A 251 2.593 -4.624 4.742 1.00 15.00 N ATOM 0 H HIS A 251 3.166 -1.681 7.135 1.00 15.00 H new ATOM 0 HA HIS A 251 0.784 -2.473 8.591 1.00 15.00 H new ATOM 0 HB2 HIS A 251 3.502 -3.815 8.631 1.00 15.00 H new ATOM 0 HB3 HIS A 251 1.939 -4.530 8.974 1.00 15.00 H new ATOM 0 HD1 HIS A 251 1.229 -6.085 7.137 1.00 15.00 H new ATOM 0 HD2 HIS A 251 3.425 -2.836 5.694 1.00 15.00 H new ATOM 0 HE1 HIS A 251 1.525 -6.471 4.649 1.00 15.00 H new ATOM 336 N LYS A 252 3.172 -0.905 9.986 1.00 15.00 N ATOM 337 CA LYS A 252 3.697 -0.351 11.223 1.00 15.00 C ATOM 338 C LYS A 252 2.780 0.753 11.739 1.00 15.00 C ATOM 339 O LYS A 252 2.369 0.743 12.897 1.00 15.00 O ATOM 340 CB LYS A 252 5.105 0.213 11.004 1.00 15.00 C ATOM 341 CG LYS A 252 6.079 -0.765 10.357 1.00 15.00 C ATOM 342 CD LYS A 252 6.357 -1.966 11.247 1.00 15.00 C ATOM 343 CE LYS A 252 7.325 -2.937 10.586 1.00 15.00 C ATOM 344 NZ LYS A 252 8.658 -2.323 10.339 1.00 15.00 N1+ ATOM 0 H LYS A 252 3.507 -0.442 9.141 1.00 15.00 H new ATOM 0 HA LYS A 252 3.746 -1.151 11.961 1.00 15.00 H new ATOM 0 HB2 LYS A 252 5.034 1.103 10.379 1.00 15.00 H new ATOM 0 HB3 LYS A 252 5.511 0.529 11.965 1.00 15.00 H new ATOM 0 HG2 LYS A 252 5.672 -1.106 9.405 1.00 15.00 H new ATOM 0 HG3 LYS A 252 7.015 -0.252 10.138 1.00 15.00 H new ATOM 0 HD2 LYS A 252 6.771 -1.628 12.197 1.00 15.00 H new ATOM 0 HD3 LYS A 252 5.422 -2.479 11.471 1.00 15.00 H new ATOM 0 HE2 LYS A 252 7.444 -3.816 11.219 1.00 15.00 H new ATOM 0 HE3 LYS A 252 6.904 -3.280 9.641 1.00 15.00 H new ATOM 0 HZ1 LYS A 252 8.793 -2.185 9.317 1.00 15.00 H new ATOM 0 HZ2 LYS A 252 8.712 -1.404 10.822 1.00 15.00 H new ATOM 0 HZ3 LYS A 252 9.402 -2.950 10.705 1.00 15.00 H new ATOM 358 N ASN A 253 2.462 1.700 10.866 1.00 15.00 N ATOM 359 CA ASN A 253 1.665 2.860 11.249 1.00 15.00 C ATOM 360 C ASN A 253 0.186 2.648 10.947 1.00 15.00 C ATOM 361 O ASN A 253 -0.650 3.473 11.323 1.00 15.00 O ATOM 362 CB ASN A 253 2.163 4.115 10.520 1.00 15.00 C ATOM 363 CG ASN A 253 3.610 4.444 10.834 1.00 15.00 C ATOM 364 OD1 ASN A 253 4.527 3.970 10.165 1.00 15.00 O ATOM 365 ND2 ASN A 253 3.825 5.270 11.845 1.00 15.00 N ATOM 0 H ASN A 253 2.744 1.688 9.886 1.00 15.00 H new ATOM 0 HA ASN A 253 1.779 2.994 12.325 1.00 15.00 H new ATOM 0 HB2 ASN A 253 2.053 3.972 9.445 1.00 15.00 H new ATOM 0 HB3 ASN A 253 1.535 4.962 10.795 1.00 15.00 H new ATOM 0 HD21 ASN A 253 4.778 5.535 12.093 1.00 15.00 H new ATOM 0 HD22 ASN A 253 3.038 5.642 12.376 1.00 15.00 H new ATOM 372 N LYS A 254 -0.130 1.543 10.264 1.00 15.00 N ATOM 373 CA LYS A 254 -1.511 1.224 9.891 1.00 15.00 C ATOM 374 C LYS A 254 -2.072 2.331 8.978 1.00 15.00 C ATOM 375 O LYS A 254 -3.238 2.717 9.054 1.00 15.00 O ATOM 376 CB LYS A 254 -2.351 1.024 11.171 1.00 15.00 C ATOM 377 CG LYS A 254 -3.794 0.591 10.940 1.00 15.00 C ATOM 378 CD LYS A 254 -4.496 0.158 12.226 1.00 15.00 C ATOM 379 CE LYS A 254 -4.801 1.330 13.152 1.00 15.00 C ATOM 380 NZ LYS A 254 -3.593 1.837 13.857 1.00 15.00 N1+ ATOM 0 H LYS A 254 0.555 0.852 9.957 1.00 15.00 H new ATOM 0 HA LYS A 254 -1.550 0.293 9.325 1.00 15.00 H new ATOM 0 HB2 LYS A 254 -1.860 0.277 11.795 1.00 15.00 H new ATOM 0 HB3 LYS A 254 -2.354 1.958 11.734 1.00 15.00 H new ATOM 0 HG2 LYS A 254 -4.348 1.414 10.489 1.00 15.00 H new ATOM 0 HG3 LYS A 254 -3.811 -0.233 10.227 1.00 15.00 H new ATOM 0 HD2 LYS A 254 -5.426 -0.352 11.974 1.00 15.00 H new ATOM 0 HD3 LYS A 254 -3.870 -0.562 12.752 1.00 15.00 H new ATOM 0 HE2 LYS A 254 -5.244 2.140 12.572 1.00 15.00 H new ATOM 0 HE3 LYS A 254 -5.543 1.022 13.888 1.00 15.00 H new ATOM 0 HZ1 LYS A 254 -3.821 2.008 14.857 1.00 15.00 H new ATOM 0 HZ2 LYS A 254 -2.831 1.132 13.791 1.00 15.00 H new ATOM 0 HZ3 LYS A 254 -3.281 2.726 13.416 1.00 15.00 H new ATOM 394 N THR A 255 -1.224 2.786 8.062 1.00 15.00 N ATOM 395 CA THR A 255 -1.548 3.915 7.189 1.00 15.00 C ATOM 396 C THR A 255 -1.428 3.502 5.717 1.00 15.00 C ATOM 397 O THR A 255 -0.589 2.675 5.380 1.00 15.00 O ATOM 398 CB THR A 255 -0.590 5.093 7.483 1.00 15.00 C ATOM 399 OG1 THR A 255 -0.490 5.290 8.899 1.00 15.00 O ATOM 400 CG2 THR A 255 -1.060 6.386 6.830 1.00 15.00 C ATOM 0 H THR A 255 -0.299 2.388 7.902 1.00 15.00 H new ATOM 0 HA THR A 255 -2.574 4.227 7.382 1.00 15.00 H new ATOM 0 HB THR A 255 0.384 4.838 7.064 1.00 15.00 H new ATOM 0 HG1 THR A 255 0.119 6.036 9.083 1.00 15.00 H new ATOM 0 HG21 THR A 255 -0.358 7.187 7.062 1.00 15.00 H new ATOM 0 HG22 THR A 255 -1.111 6.250 5.750 1.00 15.00 H new ATOM 0 HG23 THR A 255 -2.048 6.647 7.210 1.00 15.00 H new ATOM 408 N THR A 256 -2.267 4.052 4.841 1.00 15.00 N ATOM 409 CA THR A 256 -2.216 3.691 3.434 1.00 15.00 C ATOM 410 C THR A 256 -1.636 4.799 2.556 1.00 15.00 C ATOM 411 O THR A 256 -1.779 5.990 2.840 1.00 15.00 O ATOM 412 CB THR A 256 -3.611 3.300 2.920 1.00 15.00 C ATOM 413 OG1 THR A 256 -4.607 4.163 3.485 1.00 15.00 O ATOM 414 CG2 THR A 256 -3.916 1.855 3.267 1.00 15.00 C ATOM 0 H THR A 256 -2.980 4.741 5.081 1.00 15.00 H new ATOM 0 HA THR A 256 -1.545 2.835 3.364 1.00 15.00 H new ATOM 0 HB THR A 256 -3.624 3.409 1.836 1.00 15.00 H new ATOM 0 HG1 THR A 256 -5.395 4.178 2.903 1.00 15.00 H new ATOM 0 HG21 THR A 256 -4.907 1.593 2.896 1.00 15.00 H new ATOM 0 HG22 THR A 256 -3.173 1.205 2.805 1.00 15.00 H new ATOM 0 HG23 THR A 256 -3.888 1.727 4.349 1.00 15.00 H new ATOM 422 N SER A 257 -0.948 4.378 1.504 1.00 15.00 N ATOM 423 CA SER A 257 -0.419 5.272 0.481 1.00 15.00 C ATOM 424 C SER A 257 -0.380 4.516 -0.844 1.00 15.00 C ATOM 425 O SER A 257 -0.228 3.308 -0.845 1.00 15.00 O ATOM 426 CB SER A 257 0.976 5.763 0.870 1.00 15.00 C ATOM 427 OG SER A 257 0.928 6.530 2.064 1.00 15.00 O ATOM 0 H SER A 257 -0.738 3.394 1.334 1.00 15.00 H new ATOM 0 HA SER A 257 -1.059 6.149 0.383 1.00 15.00 H new ATOM 0 HB2 SER A 257 1.641 4.910 1.007 1.00 15.00 H new ATOM 0 HB3 SER A 257 1.392 6.365 0.063 1.00 15.00 H new ATOM 0 HG SER A 257 1.689 6.294 2.635 1.00 15.00 H new ATOM 433 N TRP A 258 -0.525 5.211 -1.961 1.00 15.00 N ATOM 434 CA TRP A 258 -0.649 4.538 -3.255 1.00 15.00 C ATOM 435 C TRP A 258 0.651 3.879 -3.724 1.00 15.00 C ATOM 436 O TRP A 258 0.731 2.655 -3.811 1.00 15.00 O ATOM 437 CB TRP A 258 -1.154 5.509 -4.324 1.00 15.00 C ATOM 438 CG TRP A 258 -2.641 5.705 -4.295 1.00 15.00 C ATOM 439 CD1 TRP A 258 -3.317 6.851 -3.999 1.00 15.00 C ATOM 440 CD2 TRP A 258 -3.635 4.713 -4.574 1.00 15.00 C ATOM 441 NE1 TRP A 258 -4.670 6.633 -4.079 1.00 15.00 N ATOM 442 CE2 TRP A 258 -4.891 5.329 -4.434 1.00 15.00 C ATOM 443 CE3 TRP A 258 -3.586 3.365 -4.935 1.00 15.00 C ATOM 444 CZ2 TRP A 258 -6.086 4.641 -4.638 1.00 15.00 C ATOM 445 CZ3 TRP A 258 -4.770 2.684 -5.135 1.00 15.00 C ATOM 446 CH2 TRP A 258 -6.005 3.323 -4.989 1.00 15.00 C ATOM 0 H TRP A 258 -0.560 6.229 -2.004 1.00 15.00 H new ATOM 0 HA TRP A 258 -1.376 3.739 -3.109 1.00 15.00 H new ATOM 0 HB2 TRP A 258 -0.665 6.474 -4.188 1.00 15.00 H new ATOM 0 HB3 TRP A 258 -0.863 5.139 -5.307 1.00 15.00 H new ATOM 0 HD1 TRP A 258 -2.856 7.792 -3.740 1.00 15.00 H new ATOM 0 HE1 TRP A 258 -5.394 7.330 -3.903 1.00 15.00 H new ATOM 0 HE3 TRP A 258 -2.637 2.863 -5.056 1.00 15.00 H new ATOM 0 HZ2 TRP A 258 -7.041 5.132 -4.523 1.00 15.00 H new ATOM 0 HZ3 TRP A 258 -4.742 1.640 -5.409 1.00 15.00 H new ATOM 0 HH2 TRP A 258 -6.913 2.763 -5.157 1.00 15.00 H new ATOM 457 N LEU A 259 1.668 4.679 -4.014 1.00 15.00 N ATOM 458 CA LEU A 259 2.838 4.184 -4.740 1.00 15.00 C ATOM 459 C LEU A 259 4.142 4.268 -3.957 1.00 15.00 C ATOM 460 O LEU A 259 4.263 5.015 -2.988 1.00 15.00 O ATOM 461 CB LEU A 259 2.975 4.871 -6.095 1.00 15.00 C ATOM 462 CG LEU A 259 2.214 4.171 -7.221 1.00 15.00 C ATOM 463 CD1 LEU A 259 2.465 4.859 -8.554 1.00 15.00 C ATOM 464 CD2 LEU A 259 2.614 2.702 -7.291 1.00 15.00 C ATOM 0 H LEU A 259 1.711 5.666 -3.762 1.00 15.00 H new ATOM 0 HA LEU A 259 2.654 3.121 -4.894 1.00 15.00 H new ATOM 0 HB2 LEU A 259 2.617 5.897 -6.010 1.00 15.00 H new ATOM 0 HB3 LEU A 259 4.031 4.923 -6.360 1.00 15.00 H new ATOM 0 HG LEU A 259 1.147 4.233 -7.007 1.00 15.00 H new ATOM 0 HD11 LEU A 259 1.913 4.343 -9.339 1.00 15.00 H new ATOM 0 HD12 LEU A 259 2.132 5.895 -8.497 1.00 15.00 H new ATOM 0 HD13 LEU A 259 3.531 4.833 -8.782 1.00 15.00 H new ATOM 0 HD21 LEU A 259 2.066 2.214 -8.097 1.00 15.00 H new ATOM 0 HD22 LEU A 259 3.684 2.625 -7.482 1.00 15.00 H new ATOM 0 HD23 LEU A 259 2.378 2.215 -6.345 1.00 15.00 H new ATOM 476 N ASP A 260 5.110 3.471 -4.424 1.00 15.00 N ATOM 477 CA ASP A 260 6.407 3.271 -3.769 1.00 15.00 C ATOM 478 C ASP A 260 7.167 4.589 -3.627 1.00 15.00 C ATOM 479 O ASP A 260 7.573 5.203 -4.615 1.00 15.00 O ATOM 480 CB ASP A 260 7.226 2.274 -4.614 1.00 15.00 C ATOM 481 CG ASP A 260 8.627 1.986 -4.096 1.00 15.00 C ATOM 482 OD1 ASP A 260 9.335 2.924 -3.675 1.00 15.00 O1- ATOM 483 OD2 ASP A 260 9.025 0.802 -4.129 1.00 15.00 O ATOM 0 H ASP A 260 5.011 2.936 -5.287 1.00 15.00 H new ATOM 0 HA ASP A 260 6.247 2.878 -2.765 1.00 15.00 H new ATOM 0 HB2 ASP A 260 6.677 1.334 -4.672 1.00 15.00 H new ATOM 0 HB3 ASP A 260 7.304 2.661 -5.630 1.00 15.00 H new ATOM 488 N PRO A 261 7.324 5.046 -2.376 1.00 15.00 N ATOM 489 CA PRO A 261 7.998 6.302 -2.052 1.00 15.00 C ATOM 490 C PRO A 261 9.530 6.222 -2.046 1.00 15.00 C ATOM 491 O PRO A 261 10.204 7.251 -2.057 1.00 15.00 O ATOM 492 CB PRO A 261 7.463 6.615 -0.660 1.00 15.00 C ATOM 493 CG PRO A 261 7.232 5.283 -0.041 1.00 15.00 C ATOM 494 CD PRO A 261 6.831 4.363 -1.164 1.00 15.00 C ATOM 0 HA PRO A 261 7.797 7.065 -2.804 1.00 15.00 H new ATOM 0 HB2 PRO A 261 8.178 7.202 -0.083 1.00 15.00 H new ATOM 0 HB3 PRO A 261 6.541 7.194 -0.710 1.00 15.00 H new ATOM 0 HG2 PRO A 261 8.133 4.922 0.455 1.00 15.00 H new ATOM 0 HG3 PRO A 261 6.451 5.336 0.717 1.00 15.00 H new ATOM 0 HD2 PRO A 261 7.280 3.376 -1.051 1.00 15.00 H new ATOM 0 HD3 PRO A 261 5.751 4.220 -1.197 1.00 15.00 H new ATOM 502 N ARG A 262 10.087 5.018 -1.982 1.00 15.00 N ATOM 503 CA ARG A 262 11.538 4.872 -1.932 1.00 15.00 C ATOM 504 C ARG A 262 12.147 4.998 -3.328 1.00 15.00 C ATOM 505 O ARG A 262 13.317 5.351 -3.482 1.00 15.00 O ATOM 506 CB ARG A 262 11.948 3.557 -1.251 1.00 15.00 C ATOM 507 CG ARG A 262 13.443 3.256 -1.352 1.00 15.00 C ATOM 508 CD ARG A 262 13.866 2.101 -0.455 1.00 15.00 C ATOM 509 NE ARG A 262 13.913 2.481 0.959 1.00 15.00 N ATOM 510 CZ ARG A 262 14.243 1.644 1.947 1.00 15.00 C ATOM 511 NH1 ARG A 262 14.541 0.378 1.682 1.00 15.00 N1+ ATOM 512 NH2 ARG A 262 14.278 2.072 3.203 1.00 15.00 N ATOM 0 H ARG A 262 9.566 4.141 -1.964 1.00 15.00 H new ATOM 0 HA ARG A 262 11.935 5.684 -1.323 1.00 15.00 H new ATOM 0 HB2 ARG A 262 11.664 3.598 -0.199 1.00 15.00 H new ATOM 0 HB3 ARG A 262 11.389 2.736 -1.700 1.00 15.00 H new ATOM 0 HG2 ARG A 262 13.694 3.020 -2.386 1.00 15.00 H new ATOM 0 HG3 ARG A 262 14.009 4.148 -1.082 1.00 15.00 H new ATOM 0 HD2 ARG A 262 13.170 1.272 -0.583 1.00 15.00 H new ATOM 0 HD3 ARG A 262 14.848 1.744 -0.765 1.00 15.00 H new ATOM 0 HE ARG A 262 13.680 3.443 1.204 1.00 15.00 H new ATOM 0 HH11 ARG A 262 14.519 0.039 0.720 1.00 15.00 H new ATOM 0 HH12 ARG A 262 14.792 -0.256 2.440 1.00 15.00 H new ATOM 0 HH21 ARG A 262 14.052 3.043 3.417 1.00 15.00 H new ATOM 0 HH22 ARG A 262 14.530 1.429 3.954 1.00 15.00 H new ATOM 526 N LEU A 263 11.349 4.689 -4.342 1.00 15.00 N ATOM 527 CA LEU A 263 11.762 4.881 -5.730 1.00 15.00 C ATOM 528 C LEU A 263 11.597 6.343 -6.151 1.00 15.00 C ATOM 529 O LEU A 263 12.028 6.740 -7.236 1.00 15.00 O ATOM 530 CB LEU A 263 10.965 3.967 -6.666 1.00 15.00 C ATOM 531 CG LEU A 263 11.244 2.470 -6.509 1.00 15.00 C ATOM 532 CD1 LEU A 263 10.386 1.665 -7.473 1.00 15.00 C ATOM 533 CD2 LEU A 263 12.719 2.172 -6.736 1.00 15.00 C ATOM 0 H LEU A 263 10.411 4.304 -4.231 1.00 15.00 H new ATOM 0 HA LEU A 263 12.817 4.618 -5.804 1.00 15.00 H new ATOM 0 HB2 LEU A 263 9.902 4.141 -6.500 1.00 15.00 H new ATOM 0 HB3 LEU A 263 11.178 4.254 -7.696 1.00 15.00 H new ATOM 0 HG LEU A 263 10.988 2.179 -5.490 1.00 15.00 H new ATOM 0 HD11 LEU A 263 10.597 0.603 -7.348 1.00 15.00 H new ATOM 0 HD12 LEU A 263 9.332 1.852 -7.266 1.00 15.00 H new ATOM 0 HD13 LEU A 263 10.613 1.962 -8.497 1.00 15.00 H new ATOM 0 HD21 LEU A 263 12.896 1.103 -6.620 1.00 15.00 H new ATOM 0 HD22 LEU A 263 13.002 2.479 -7.743 1.00 15.00 H new ATOM 0 HD23 LEU A 263 13.317 2.720 -6.008 1.00 15.00 H new ATOM 545 N ASP A 264 10.945 7.121 -5.294 1.00 15.00 N ATOM 546 CA ASP A 264 10.669 8.536 -5.571 1.00 15.00 C ATOM 547 C ASP A 264 11.938 9.363 -5.845 1.00 15.00 C ATOM 548 O ASP A 264 11.978 10.105 -6.828 1.00 15.00 O ATOM 549 CB ASP A 264 9.855 9.151 -4.425 1.00 15.00 C ATOM 550 CG ASP A 264 9.912 10.666 -4.397 1.00 15.00 C ATOM 551 OD1 ASP A 264 9.418 11.308 -5.344 1.00 15.00 O ATOM 552 OD2 ASP A 264 10.440 11.218 -3.409 1.00 15.00 O1- ATOM 0 H ASP A 264 10.593 6.797 -4.393 1.00 15.00 H new ATOM 0 HA ASP A 264 10.084 8.567 -6.490 1.00 15.00 H new ATOM 0 HB2 ASP A 264 8.816 8.835 -4.516 1.00 15.00 H new ATOM 0 HB3 ASP A 264 10.225 8.762 -3.476 1.00 15.00 H new ATOM 557 N PRO A 265 12.977 9.283 -4.988 1.00 15.00 N ATOM 558 CA PRO A 265 14.243 9.994 -5.211 1.00 15.00 C ATOM 559 C PRO A 265 14.897 9.619 -6.539 1.00 15.00 C ATOM 560 O PRO A 265 14.693 10.349 -7.537 1.00 15.00 O ATOM 561 CB PRO A 265 15.130 9.549 -4.040 1.00 15.00 C ATOM 562 CG PRO A 265 14.471 8.329 -3.496 1.00 15.00 C ATOM 563 CD PRO A 265 13.003 8.524 -3.732 1.00 15.00 C ATOM 564 OXT PRO A 265 15.609 8.600 -6.591 1.00 15.00 O ATOM 0 HA PRO A 265 14.090 11.072 -5.259 1.00 15.00 H new ATOM 0 HB2 PRO A 265 16.145 9.333 -4.374 1.00 15.00 H new ATOM 0 HB3 PRO A 265 15.203 10.329 -3.282 1.00 15.00 H new ATOM 0 HG2 PRO A 265 14.833 7.431 -3.998 1.00 15.00 H new ATOM 0 HG3 PRO A 265 14.685 8.209 -2.434 1.00 15.00 H new ATOM 0 HD2 PRO A 265 12.477 7.573 -3.822 1.00 15.00 H new ATOM 0 HD3 PRO A 265 12.531 9.073 -2.917 1.00 15.00 H new ATOM 573 N SER B 206 -8.501 10.170 -4.866 1.00 15.00 N ATOM 574 CA SER B 206 -9.059 8.992 -4.176 1.00 15.00 C ATOM 575 C SER B 206 -8.070 8.449 -3.147 1.00 15.00 C ATOM 576 O SER B 206 -6.943 8.087 -3.489 1.00 15.00 O ATOM 577 CB SER B 206 -9.404 7.908 -5.196 1.00 15.00 C ATOM 578 OG SER B 206 -10.355 8.381 -6.138 1.00 15.00 O ATOM 0 HA SER B 206 -9.966 9.294 -3.653 1.00 15.00 H new ATOM 0 HB2 SER B 206 -8.500 7.591 -5.715 1.00 15.00 H new ATOM 0 HB3 SER B 206 -9.800 7.032 -4.682 1.00 15.00 H new ATOM 0 HG SER B 206 -10.253 9.350 -6.247 1.00 15.00 H new ATOM 586 N PRO B 207 -8.480 8.402 -1.869 1.00 15.00 N ATOM 587 CA PRO B 207 -7.669 7.824 -0.789 1.00 15.00 C ATOM 588 C PRO B 207 -7.455 6.325 -0.989 1.00 15.00 C ATOM 589 O PRO B 207 -8.367 5.618 -1.419 1.00 15.00 O ATOM 590 CB PRO B 207 -8.508 8.077 0.474 1.00 15.00 C ATOM 591 CG PRO B 207 -9.487 9.132 0.088 1.00 15.00 C ATOM 592 CD PRO B 207 -9.762 8.916 -1.369 1.00 15.00 C ATOM 0 HA PRO B 207 -6.673 8.264 -0.743 1.00 15.00 H new ATOM 0 HB2 PRO B 207 -9.016 7.168 0.798 1.00 15.00 H new ATOM 0 HB3 PRO B 207 -7.882 8.405 1.303 1.00 15.00 H new ATOM 0 HG2 PRO B 207 -10.402 9.051 0.675 1.00 15.00 H new ATOM 0 HG3 PRO B 207 -9.081 10.128 0.266 1.00 15.00 H new ATOM 0 HD2 PRO B 207 -10.572 8.204 -1.527 1.00 15.00 H new ATOM 0 HD3 PRO B 207 -10.049 9.842 -1.868 1.00 15.00 H new ATOM 600 N PRO B 208 -6.255 5.817 -0.672 1.00 15.00 N ATOM 601 CA PRO B 208 -5.942 4.396 -0.806 1.00 15.00 C ATOM 602 C PRO B 208 -6.773 3.552 0.155 1.00 15.00 C ATOM 603 O PRO B 208 -6.913 3.905 1.328 1.00 15.00 O ATOM 604 CB PRO B 208 -4.450 4.311 -0.447 1.00 15.00 C ATOM 605 CG PRO B 208 -3.951 5.714 -0.511 1.00 15.00 C ATOM 606 CD PRO B 208 -5.117 6.575 -0.136 1.00 15.00 C ATOM 0 HA PRO B 208 -6.163 4.016 -1.803 1.00 15.00 H new ATOM 0 HB2 PRO B 208 -4.308 3.888 0.547 1.00 15.00 H new ATOM 0 HB3 PRO B 208 -3.913 3.670 -1.146 1.00 15.00 H new ATOM 0 HG2 PRO B 208 -3.117 5.865 0.174 1.00 15.00 H new ATOM 0 HG3 PRO B 208 -3.591 5.956 -1.511 1.00 15.00 H new ATOM 0 HD2 PRO B 208 -5.191 6.710 0.943 1.00 15.00 H new ATOM 0 HD3 PRO B 208 -5.047 7.569 -0.578 1.00 15.00 H new ATOM 614 N PRO B 209 -7.319 2.422 -0.333 1.00 15.00 N ATOM 615 CA PRO B 209 -8.182 1.540 0.458 1.00 15.00 C ATOM 616 C PRO B 209 -7.569 1.206 1.816 1.00 15.00 C ATOM 617 O PRO B 209 -6.400 0.834 1.896 1.00 15.00 O ATOM 618 CB PRO B 209 -8.302 0.271 -0.402 1.00 15.00 C ATOM 619 CG PRO B 209 -7.314 0.436 -1.512 1.00 15.00 C ATOM 620 CD PRO B 209 -7.138 1.912 -1.695 1.00 15.00 C ATOM 0 HA PRO B 209 -9.142 2.006 0.679 1.00 15.00 H new ATOM 0 HB2 PRO B 209 -8.085 -0.621 0.185 1.00 15.00 H new ATOM 0 HB3 PRO B 209 -9.313 0.157 -0.792 1.00 15.00 H new ATOM 0 HG2 PRO B 209 -6.366 -0.042 -1.264 1.00 15.00 H new ATOM 0 HG3 PRO B 209 -7.676 -0.030 -2.428 1.00 15.00 H new ATOM 0 HD2 PRO B 209 -6.153 2.157 -2.093 1.00 15.00 H new ATOM 0 HD3 PRO B 209 -7.873 2.326 -2.385 1.00 15.00 H new ATOM 628 N PRO B 210 -8.373 1.329 2.889 1.00 15.00 N ATOM 629 CA PRO B 210 -7.905 1.203 4.278 1.00 15.00 C ATOM 630 C PRO B 210 -7.050 -0.035 4.532 1.00 15.00 C ATOM 631 O PRO B 210 -7.354 -1.127 4.060 1.00 15.00 O ATOM 632 CB PRO B 210 -9.207 1.111 5.075 1.00 15.00 C ATOM 633 CG PRO B 210 -10.202 1.850 4.256 1.00 15.00 C ATOM 634 CD PRO B 210 -9.821 1.603 2.823 1.00 15.00 C ATOM 0 HA PRO B 210 -7.258 2.037 4.550 1.00 15.00 H new ATOM 0 HB2 PRO B 210 -9.508 0.074 5.224 1.00 15.00 H new ATOM 0 HB3 PRO B 210 -9.099 1.556 6.064 1.00 15.00 H new ATOM 0 HG2 PRO B 210 -11.213 1.497 4.458 1.00 15.00 H new ATOM 0 HG3 PRO B 210 -10.184 2.915 4.487 1.00 15.00 H new ATOM 0 HD2 PRO B 210 -10.369 0.760 2.402 1.00 15.00 H new ATOM 0 HD3 PRO B 210 -10.037 2.468 2.196 1.00 15.00 H new ATOM 642 N TYR B 211 -6.007 0.156 5.331 1.00 15.00 N ATOM 643 CA TYR B 211 -5.064 -0.903 5.673 1.00 15.00 C ATOM 644 C TYR B 211 -5.717 -1.954 6.579 1.00 15.00 C ATOM 645 O TYR B 211 -5.154 -3.022 6.824 1.00 15.00 O ATOM 646 CB TYR B 211 -3.833 -0.262 6.342 1.00 15.00 C ATOM 647 CG TYR B 211 -2.973 -1.199 7.165 1.00 15.00 C ATOM 648 CD1 TYR B 211 -1.980 -1.974 6.589 1.00 15.00 C ATOM 649 CD2 TYR B 211 -3.157 -1.288 8.531 1.00 15.00 C ATOM 650 CE1 TYR B 211 -1.198 -2.819 7.352 1.00 15.00 C ATOM 651 CE2 TYR B 211 -2.385 -2.120 9.307 1.00 15.00 C ATOM 652 CZ TYR B 211 -1.406 -2.889 8.714 1.00 15.00 C ATOM 653 OH TYR B 211 -0.646 -3.737 9.485 1.00 15.00 O ATOM 0 H TYR B 211 -5.790 1.055 5.762 1.00 15.00 H new ATOM 0 HA TYR B 211 -4.751 -1.425 4.769 1.00 15.00 H new ATOM 0 HB2 TYR B 211 -3.212 0.185 5.566 1.00 15.00 H new ATOM 0 HB3 TYR B 211 -4.173 0.550 6.985 1.00 15.00 H new ATOM 0 HD1 TYR B 211 -1.814 -1.916 5.523 1.00 15.00 H new ATOM 0 HD2 TYR B 211 -3.925 -0.691 9.000 1.00 15.00 H new ATOM 0 HE1 TYR B 211 -0.431 -3.420 6.887 1.00 15.00 H new ATOM 0 HE2 TYR B 211 -2.544 -2.171 10.374 1.00 15.00 H new ATOM 0 HH TYR B 211 -0.921 -3.662 10.423 1.00 15.00 H new ATOM 663 N SER B 212 -6.914 -1.645 7.064 1.00 15.00 N ATOM 664 CA SER B 212 -7.630 -2.534 7.964 1.00 15.00 C ATOM 665 C SER B 212 -7.917 -3.882 7.303 1.00 15.00 C ATOM 666 O SER B 212 -7.727 -4.935 7.918 1.00 15.00 O ATOM 667 CB SER B 212 -8.925 -1.872 8.432 1.00 15.00 C ATOM 668 OG SER B 212 -9.615 -1.277 7.343 1.00 15.00 O ATOM 0 H SER B 212 -7.409 -0.780 6.846 1.00 15.00 H new ATOM 0 HA SER B 212 -6.998 -2.724 8.832 1.00 15.00 H new ATOM 0 HB2 SER B 212 -9.564 -2.614 8.911 1.00 15.00 H new ATOM 0 HB3 SER B 212 -8.700 -1.114 9.182 1.00 15.00 H new ATOM 0 HG SER B 212 -10.441 -0.861 7.667 1.00 15.00 H new ATOM 674 N ARG B 213 -8.405 -3.855 6.066 1.00 15.00 N ATOM 675 CA ARG B 213 -8.615 -5.085 5.319 1.00 15.00 C ATOM 676 C ARG B 213 -8.460 -4.853 3.821 1.00 15.00 C ATOM 677 O ARG B 213 -8.505 -3.720 3.348 1.00 15.00 O ATOM 678 CB ARG B 213 -9.981 -5.694 5.601 1.00 15.00 C ATOM 679 CG ARG B 213 -9.961 -7.205 5.473 1.00 15.00 C ATOM 680 CD ARG B 213 -9.587 -7.866 6.789 1.00 15.00 C ATOM 681 NE ARG B 213 -10.526 -7.516 7.854 1.00 15.00 N ATOM 682 CZ ARG B 213 -10.452 -7.975 9.101 1.00 15.00 C ATOM 683 NH1 ARG B 213 -9.473 -8.802 9.456 1.00 15.00 N1+ ATOM 684 NH2 ARG B 213 -11.361 -7.598 9.992 1.00 15.00 N ATOM 0 H ARG B 213 -8.659 -3.003 5.566 1.00 15.00 H new ATOM 0 HA ARG B 213 -7.850 -5.787 5.653 1.00 15.00 H new ATOM 0 HB2 ARG B 213 -10.301 -5.419 6.606 1.00 15.00 H new ATOM 0 HB3 ARG B 213 -10.714 -5.280 4.908 1.00 15.00 H new ATOM 0 HG2 ARG B 213 -10.941 -7.558 5.152 1.00 15.00 H new ATOM 0 HG3 ARG B 213 -9.249 -7.497 4.701 1.00 15.00 H new ATOM 0 HD2 ARG B 213 -9.569 -8.948 6.661 1.00 15.00 H new ATOM 0 HD3 ARG B 213 -8.580 -7.562 7.076 1.00 15.00 H new ATOM 0 HE ARG B 213 -11.288 -6.878 7.626 1.00 15.00 H new ATOM 0 HH11 ARG B 213 -8.773 -9.088 8.771 1.00 15.00 H new ATOM 0 HH12 ARG B 213 -9.422 -9.150 10.413 1.00 15.00 H new ATOM 0 HH21 ARG B 213 -12.109 -6.961 9.719 1.00 15.00 H new ATOM 0 HH22 ARG B 213 -11.311 -7.945 10.950 1.00 15.00 H new ATOM 698 N TYR B 214 -8.326 -5.944 3.081 1.00 15.00 N ATOM 699 CA TYR B 214 -8.027 -5.882 1.659 1.00 15.00 C ATOM 700 C TYR B 214 -9.323 -5.841 0.862 1.00 15.00 C ATOM 701 O TYR B 214 -10.176 -6.718 1.013 1.00 15.00 O ATOM 702 CB TYR B 214 -7.189 -7.101 1.228 1.00 15.00 C ATOM 703 CG TYR B 214 -6.016 -7.415 2.142 1.00 15.00 C ATOM 704 CD1 TYR B 214 -5.653 -6.545 3.158 1.00 15.00 C ATOM 705 CD2 TYR B 214 -5.291 -8.592 2.004 1.00 15.00 C ATOM 706 CE1 TYR B 214 -4.618 -6.824 4.007 1.00 15.00 C ATOM 707 CE2 TYR B 214 -4.238 -8.883 2.854 1.00 15.00 C ATOM 708 CZ TYR B 214 -3.907 -7.994 3.856 1.00 15.00 C ATOM 709 OH TYR B 214 -2.866 -8.279 4.707 1.00 15.00 O ATOM 0 H TYR B 214 -8.421 -6.891 3.447 1.00 15.00 H new ATOM 0 HA TYR B 214 -7.451 -4.977 1.464 1.00 15.00 H new ATOM 0 HB2 TYR B 214 -7.839 -7.974 1.180 1.00 15.00 H new ATOM 0 HB3 TYR B 214 -6.812 -6.928 0.220 1.00 15.00 H new ATOM 0 HD1 TYR B 214 -6.202 -5.623 3.282 1.00 15.00 H new ATOM 0 HD2 TYR B 214 -5.553 -9.290 1.222 1.00 15.00 H new ATOM 0 HE1 TYR B 214 -4.359 -6.130 4.793 1.00 15.00 H new ATOM 0 HE2 TYR B 214 -3.679 -9.799 2.734 1.00 15.00 H new ATOM 0 HH TYR B 214 -2.472 -9.143 4.464 1.00 15.00 H new ATOM 719 N PRO B 215 -9.482 -4.825 0.004 1.00 15.00 N ATOM 720 CA PRO B 215 -10.689 -4.652 -0.804 1.00 15.00 C ATOM 721 C PRO B 215 -10.948 -5.838 -1.729 1.00 15.00 C ATOM 722 O PRO B 215 -10.145 -6.149 -2.612 1.00 15.00 O ATOM 723 CB PRO B 215 -10.409 -3.383 -1.619 1.00 15.00 C ATOM 724 CG PRO B 215 -8.931 -3.196 -1.560 1.00 15.00 C ATOM 725 CD PRO B 215 -8.499 -3.758 -0.238 1.00 15.00 C ATOM 0 HA PRO B 215 -11.581 -4.580 -0.181 1.00 15.00 H new ATOM 0 HB2 PRO B 215 -10.751 -3.493 -2.648 1.00 15.00 H new ATOM 0 HB3 PRO B 215 -10.931 -2.523 -1.200 1.00 15.00 H new ATOM 0 HG2 PRO B 215 -8.439 -3.713 -2.384 1.00 15.00 H new ATOM 0 HG3 PRO B 215 -8.667 -2.142 -1.641 1.00 15.00 H new ATOM 0 HD2 PRO B 215 -7.482 -4.148 -0.278 1.00 15.00 H new ATOM 0 HD3 PRO B 215 -8.521 -3.003 0.548 1.00 15.00 H new