USER MOD reduce.3.24.130724 H: found=0, std=0, add=347, rem=0, adj=12 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 251 HIS :FLIP no HD1:sc= 0.274 F(o=-2.3,f=-1.6) USER MOD Set 1.2: B 211 TYR OH : rot -7:sc= -1.87! USER MOD Set 2.1: A 250 ASN : amide:sc= 0.615 K(o=0.61,f=-12!) USER MOD Set 2.2: A 253 ASN : amide:sc= 0 K(o=0.61,f=-0.53) USER MOD Single : A 238 GLN : amide:sc= -4.33! C(o=-4.3!,f=-4.8!) USER MOD Single : A 240 MET CE :methyl 159:sc= -0.203 (180deg=-0.82) USER MOD Single : A 241 THR OG1 : rot 180:sc=-1.97e-05 USER MOD Single : A 242 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 247 TYR OH : rot -170:sc= -1.84! USER MOD Single : A 248 TYR OH : rot -15:sc= -1.26 USER MOD Single : A 252 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 254 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 255 THR OG1 : rot 180:sc= -0.0535 USER MOD Single : A 256 THR OG1 : rot 180:sc= -0.0324 USER MOD Single : A 257 SER OG : rot 180:sc= 0 USER MOD Single : B 206 SER OG : rot 26:sc= 0.154 USER MOD Single : B 212 SER OG : rot 180:sc= 0 USER MOD Single : B 214 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 230 9.607 -2.871 -6.442 1.00 15.00 N ATOM 2 CA GLY A 230 10.961 -2.493 -5.966 1.00 15.00 C ATOM 3 C GLY A 230 11.115 -2.690 -4.472 1.00 15.00 C ATOM 4 O GLY A 230 10.185 -3.143 -3.813 1.00 15.00 O ATOM 0 HA2 GLY A 230 11.708 -3.090 -6.489 1.00 15.00 H new ATOM 0 HA3 GLY A 230 11.154 -1.450 -6.216 1.00 15.00 H new ATOM 10 N PRO A 231 12.292 -2.381 -3.907 1.00 15.00 N ATOM 11 CA PRO A 231 12.541 -2.508 -2.471 1.00 15.00 C ATOM 12 C PRO A 231 11.906 -1.378 -1.664 1.00 15.00 C ATOM 13 O PRO A 231 12.215 -0.204 -1.865 1.00 15.00 O ATOM 14 CB PRO A 231 14.074 -2.449 -2.355 1.00 15.00 C ATOM 15 CG PRO A 231 14.594 -2.434 -3.760 1.00 15.00 C ATOM 16 CD PRO A 231 13.480 -1.903 -4.614 1.00 15.00 C ATOM 0 HA PRO A 231 12.107 -3.424 -2.071 1.00 15.00 H new ATOM 0 HB2 PRO A 231 14.390 -1.558 -1.812 1.00 15.00 H new ATOM 0 HB3 PRO A 231 14.457 -3.309 -1.806 1.00 15.00 H new ATOM 0 HG2 PRO A 231 15.480 -1.804 -3.840 1.00 15.00 H new ATOM 0 HG3 PRO A 231 14.885 -3.435 -4.078 1.00 15.00 H new ATOM 0 HD2 PRO A 231 13.503 -0.815 -4.682 1.00 15.00 H new ATOM 0 HD3 PRO A 231 13.529 -2.288 -5.633 1.00 15.00 H new ATOM 24 N LEU A 232 11.008 -1.735 -0.758 1.00 15.00 N ATOM 25 CA LEU A 232 10.341 -0.751 0.082 1.00 15.00 C ATOM 26 C LEU A 232 11.014 -0.627 1.445 1.00 15.00 C ATOM 27 O LEU A 232 11.746 -1.525 1.861 1.00 15.00 O ATOM 28 CB LEU A 232 8.845 -1.022 0.279 1.00 15.00 C ATOM 29 CG LEU A 232 7.938 -0.626 -0.882 1.00 15.00 C ATOM 30 CD1 LEU A 232 8.110 0.826 -1.280 1.00 15.00 C ATOM 31 CD2 LEU A 232 8.157 -1.521 -2.081 1.00 15.00 C ATOM 0 H LEU A 232 10.724 -2.699 -0.585 1.00 15.00 H new ATOM 0 HA LEU A 232 10.434 0.190 -0.461 1.00 15.00 H new ATOM 0 HB2 LEU A 232 8.711 -2.086 0.473 1.00 15.00 H new ATOM 0 HB3 LEU A 232 8.514 -0.491 1.171 1.00 15.00 H new ATOM 0 HG LEU A 232 6.915 -0.754 -0.529 1.00 15.00 H new ATOM 0 HD11 LEU A 232 7.443 1.057 -2.110 1.00 15.00 H new ATOM 0 HD12 LEU A 232 7.870 1.467 -0.432 1.00 15.00 H new ATOM 0 HD13 LEU A 232 9.142 1.000 -1.585 1.00 15.00 H new ATOM 0 HD21 LEU A 232 7.496 -1.213 -2.891 1.00 15.00 H new ATOM 0 HD22 LEU A 232 9.194 -1.443 -2.409 1.00 15.00 H new ATOM 0 HD23 LEU A 232 7.940 -2.554 -1.809 1.00 15.00 H new ATOM 43 N PRO A 233 10.761 0.494 2.165 1.00 15.00 N ATOM 44 CA PRO A 233 11.360 0.774 3.489 1.00 15.00 C ATOM 45 C PRO A 233 11.033 -0.286 4.548 1.00 15.00 C ATOM 46 O PRO A 233 11.535 -0.210 5.669 1.00 15.00 O ATOM 47 CB PRO A 233 10.700 2.104 3.868 1.00 15.00 C ATOM 48 CG PRO A 233 10.470 2.745 2.559 1.00 15.00 C ATOM 49 CD PRO A 233 9.897 1.630 1.753 1.00 15.00 C ATOM 0 HA PRO A 233 12.449 0.787 3.444 1.00 15.00 H new ATOM 0 HB2 PRO A 233 9.768 1.951 4.412 1.00 15.00 H new ATOM 0 HB3 PRO A 233 11.346 2.708 4.505 1.00 15.00 H new ATOM 0 HG2 PRO A 233 9.782 3.587 2.634 1.00 15.00 H new ATOM 0 HG3 PRO A 233 11.394 3.126 2.125 1.00 15.00 H new ATOM 0 HD2 PRO A 233 8.847 1.453 1.986 1.00 15.00 H new ATOM 0 HD3 PRO A 233 9.958 1.824 0.682 1.00 15.00 H new ATOM 57 N ASP A 234 10.116 -1.200 4.203 1.00 15.00 N ATOM 58 CA ASP A 234 9.779 -2.373 5.030 1.00 15.00 C ATOM 59 C ASP A 234 8.670 -2.057 6.015 1.00 15.00 C ATOM 60 O ASP A 234 8.363 -2.848 6.905 1.00 15.00 O ATOM 61 CB ASP A 234 11.001 -2.939 5.774 1.00 15.00 C ATOM 62 CG ASP A 234 12.009 -3.587 4.847 1.00 15.00 C ATOM 63 OD1 ASP A 234 11.831 -4.776 4.511 1.00 15.00 O ATOM 64 OD2 ASP A 234 12.994 -2.920 4.465 1.00 15.00 O1- ATOM 0 H ASP A 234 9.581 -1.148 3.336 1.00 15.00 H new ATOM 0 HA ASP A 234 9.427 -3.140 4.340 1.00 15.00 H new ATOM 0 HB2 ASP A 234 11.488 -2.135 6.327 1.00 15.00 H new ATOM 0 HB3 ASP A 234 10.666 -3.672 6.507 1.00 15.00 H new ATOM 69 N GLY A 235 8.058 -0.900 5.849 1.00 15.00 N ATOM 70 CA GLY A 235 6.875 -0.583 6.616 1.00 15.00 C ATOM 71 C GLY A 235 5.612 -0.969 5.874 1.00 15.00 C ATOM 72 O GLY A 235 4.575 -1.220 6.485 1.00 15.00 O ATOM 0 H GLY A 235 8.358 -0.174 5.198 1.00 15.00 H new ATOM 0 HA2 GLY A 235 6.910 -1.104 7.573 1.00 15.00 H new ATOM 0 HA3 GLY A 235 6.858 0.485 6.835 1.00 15.00 H new ATOM 76 N TRP A 236 5.718 -1.059 4.553 1.00 15.00 N ATOM 77 CA TRP A 236 4.561 -1.268 3.698 1.00 15.00 C ATOM 78 C TRP A 236 4.819 -2.194 2.526 1.00 15.00 C ATOM 79 O TRP A 236 5.920 -2.258 1.977 1.00 15.00 O ATOM 80 CB TRP A 236 3.970 0.059 3.213 1.00 15.00 C ATOM 81 CG TRP A 236 4.931 1.207 3.066 1.00 15.00 C ATOM 82 CD1 TRP A 236 6.270 1.182 2.781 1.00 15.00 C ATOM 83 CD2 TRP A 236 4.585 2.583 3.230 1.00 15.00 C ATOM 84 NE1 TRP A 236 6.768 2.463 2.788 1.00 15.00 N ATOM 85 CE2 TRP A 236 5.751 3.339 3.054 1.00 15.00 C ATOM 86 CE3 TRP A 236 3.391 3.242 3.513 1.00 15.00 C ATOM 87 CZ2 TRP A 236 5.756 4.730 3.162 1.00 15.00 C ATOM 88 CZ3 TRP A 236 3.393 4.618 3.616 1.00 15.00 C ATOM 89 CH2 TRP A 236 4.571 5.350 3.442 1.00 15.00 C ATOM 0 H TRP A 236 6.603 -0.989 4.050 1.00 15.00 H new ATOM 0 HA TRP A 236 3.830 -1.771 4.330 1.00 15.00 H new ATOM 0 HB2 TRP A 236 3.493 -0.112 2.248 1.00 15.00 H new ATOM 0 HB3 TRP A 236 3.185 0.358 3.908 1.00 15.00 H new ATOM 0 HD1 TRP A 236 6.847 0.291 2.581 1.00 15.00 H new ATOM 0 HE1 TRP A 236 7.741 2.720 2.621 1.00 15.00 H new ATOM 0 HE3 TRP A 236 2.477 2.684 3.650 1.00 15.00 H new ATOM 0 HZ2 TRP A 236 6.665 5.297 3.029 1.00 15.00 H new ATOM 0 HZ3 TRP A 236 2.471 5.137 3.834 1.00 15.00 H new ATOM 0 HH2 TRP A 236 4.544 6.426 3.531 1.00 15.00 H new ATOM 100 N GLU A 237 3.749 -2.875 2.137 1.00 15.00 N ATOM 101 CA GLU A 237 3.766 -3.847 1.063 1.00 15.00 C ATOM 102 C GLU A 237 2.694 -3.480 0.032 1.00 15.00 C ATOM 103 O GLU A 237 1.613 -3.012 0.396 1.00 15.00 O ATOM 104 CB GLU A 237 3.512 -5.237 1.658 1.00 15.00 C ATOM 105 CG GLU A 237 3.518 -6.362 0.644 1.00 15.00 C ATOM 106 CD GLU A 237 4.763 -6.359 -0.219 1.00 15.00 C ATOM 107 OE1 GLU A 237 5.866 -6.584 0.319 1.00 15.00 O1- ATOM 108 OE2 GLU A 237 4.645 -6.110 -1.436 1.00 15.00 O ATOM 0 H GLU A 237 2.832 -2.762 2.569 1.00 15.00 H new ATOM 0 HA GLU A 237 4.733 -3.851 0.560 1.00 15.00 H new ATOM 0 HB2 GLU A 237 4.272 -5.440 2.413 1.00 15.00 H new ATOM 0 HB3 GLU A 237 2.549 -5.230 2.169 1.00 15.00 H new ATOM 0 HG2 GLU A 237 3.443 -7.317 1.165 1.00 15.00 H new ATOM 0 HG3 GLU A 237 2.638 -6.277 0.007 1.00 15.00 H new ATOM 115 N GLN A 238 2.992 -3.710 -1.241 1.00 15.00 N ATOM 116 CA GLN A 238 2.119 -3.284 -2.332 1.00 15.00 C ATOM 117 C GLN A 238 1.094 -4.374 -2.686 1.00 15.00 C ATOM 118 O GLN A 238 1.468 -5.457 -3.140 1.00 15.00 O ATOM 119 CB GLN A 238 2.973 -2.934 -3.559 1.00 15.00 C ATOM 120 CG GLN A 238 2.191 -2.525 -4.793 1.00 15.00 C ATOM 121 CD GLN A 238 3.096 -2.396 -6.005 1.00 15.00 C ATOM 122 OE1 GLN A 238 2.855 -1.586 -6.892 1.00 15.00 O ATOM 123 NE2 GLN A 238 4.148 -3.204 -6.053 1.00 15.00 N ATOM 0 H GLN A 238 3.837 -4.192 -1.546 1.00 15.00 H new ATOM 0 HA GLN A 238 1.564 -2.403 -2.010 1.00 15.00 H new ATOM 0 HB2 GLN A 238 3.650 -2.123 -3.292 1.00 15.00 H new ATOM 0 HB3 GLN A 238 3.592 -3.796 -3.809 1.00 15.00 H new ATOM 0 HG2 GLN A 238 1.414 -3.262 -4.994 1.00 15.00 H new ATOM 0 HG3 GLN A 238 1.689 -1.575 -4.609 1.00 15.00 H new ATOM 0 HE21 GLN A 238 4.317 -3.866 -5.296 1.00 15.00 H new ATOM 0 HE22 GLN A 238 4.787 -3.163 -6.847 1.00 15.00 H new ATOM 132 N ALA A 239 -0.192 -4.090 -2.470 1.00 15.00 N ATOM 133 CA ALA A 239 -1.259 -5.027 -2.798 1.00 15.00 C ATOM 134 C ALA A 239 -2.134 -4.446 -3.904 1.00 15.00 C ATOM 135 O ALA A 239 -2.257 -3.233 -4.023 1.00 15.00 O ATOM 136 CB ALA A 239 -2.093 -5.336 -1.562 1.00 15.00 C ATOM 0 H ALA A 239 -0.517 -3.211 -2.066 1.00 15.00 H new ATOM 0 HA ALA A 239 -0.817 -5.959 -3.152 1.00 15.00 H new ATOM 0 HB1 ALA A 239 -2.886 -6.037 -1.824 1.00 15.00 H new ATOM 0 HB2 ALA A 239 -1.457 -5.777 -0.795 1.00 15.00 H new ATOM 0 HB3 ALA A 239 -2.535 -4.415 -1.181 1.00 15.00 H new ATOM 142 N MET A 240 -2.722 -5.302 -4.721 1.00 15.00 N ATOM 143 CA MET A 240 -3.528 -4.836 -5.844 1.00 15.00 C ATOM 144 C MET A 240 -5.014 -5.010 -5.558 1.00 15.00 C ATOM 145 O MET A 240 -5.457 -6.098 -5.195 1.00 15.00 O ATOM 146 CB MET A 240 -3.163 -5.598 -7.119 1.00 15.00 C ATOM 147 CG MET A 240 -1.708 -5.442 -7.529 1.00 15.00 C ATOM 148 SD MET A 240 -1.337 -6.223 -9.113 1.00 15.00 S ATOM 149 CE MET A 240 -2.375 -5.265 -10.217 1.00 15.00 C ATOM 0 H MET A 240 -2.660 -6.316 -4.632 1.00 15.00 H new ATOM 0 HA MET A 240 -3.318 -3.776 -5.985 1.00 15.00 H new ATOM 0 HB2 MET A 240 -3.379 -6.656 -6.973 1.00 15.00 H new ATOM 0 HB3 MET A 240 -3.800 -5.252 -7.933 1.00 15.00 H new ATOM 0 HG2 MET A 240 -1.464 -4.381 -7.587 1.00 15.00 H new ATOM 0 HG3 MET A 240 -1.070 -5.875 -6.758 1.00 15.00 H new ATOM 0 HE1 MET A 240 -2.001 -5.355 -11.237 1.00 15.00 H new ATOM 0 HE2 MET A 240 -3.398 -5.639 -10.171 1.00 15.00 H new ATOM 0 HE3 MET A 240 -2.358 -4.218 -9.915 1.00 15.00 H new ATOM 159 N THR A 241 -5.778 -3.939 -5.731 1.00 15.00 N ATOM 160 CA THR A 241 -7.222 -4.014 -5.583 1.00 15.00 C ATOM 161 C THR A 241 -7.857 -4.356 -6.924 1.00 15.00 C ATOM 162 O THR A 241 -7.340 -3.974 -7.980 1.00 15.00 O ATOM 163 CB THR A 241 -7.835 -2.703 -5.030 1.00 15.00 C ATOM 164 OG1 THR A 241 -9.261 -2.828 -4.942 1.00 15.00 O ATOM 165 CG2 THR A 241 -7.491 -1.507 -5.902 1.00 15.00 C ATOM 0 H THR A 241 -5.423 -3.014 -5.973 1.00 15.00 H new ATOM 0 HA THR A 241 -7.432 -4.797 -4.855 1.00 15.00 H new ATOM 0 HB THR A 241 -7.411 -2.536 -4.040 1.00 15.00 H new ATOM 0 HG1 THR A 241 -9.641 -1.996 -4.590 1.00 15.00 H new ATOM 0 HG21 THR A 241 -7.940 -0.608 -5.480 1.00 15.00 H new ATOM 0 HG22 THR A 241 -6.408 -1.387 -5.944 1.00 15.00 H new ATOM 0 HG23 THR A 241 -7.878 -1.667 -6.908 1.00 15.00 H new ATOM 173 N GLN A 242 -8.986 -5.056 -6.873 1.00 15.00 N ATOM 174 CA GLN A 242 -9.653 -5.565 -8.069 1.00 15.00 C ATOM 175 C GLN A 242 -10.183 -4.430 -8.945 1.00 15.00 C ATOM 176 O GLN A 242 -10.610 -4.647 -10.080 1.00 15.00 O ATOM 177 CB GLN A 242 -10.781 -6.526 -7.674 1.00 15.00 C ATOM 178 CG GLN A 242 -11.445 -7.220 -8.854 1.00 15.00 C ATOM 179 CD GLN A 242 -12.338 -8.368 -8.432 1.00 15.00 C ATOM 180 OE1 GLN A 242 -13.526 -8.188 -8.171 1.00 15.00 O ATOM 181 NE2 GLN A 242 -11.770 -9.562 -8.378 1.00 15.00 N ATOM 0 H GLN A 242 -9.465 -5.287 -6.003 1.00 15.00 H new ATOM 0 HA GLN A 242 -8.918 -6.111 -8.660 1.00 15.00 H new ATOM 0 HB2 GLN A 242 -10.380 -7.283 -6.999 1.00 15.00 H new ATOM 0 HB3 GLN A 242 -11.538 -5.972 -7.118 1.00 15.00 H new ATOM 0 HG2 GLN A 242 -12.035 -6.493 -9.412 1.00 15.00 H new ATOM 0 HG3 GLN A 242 -10.676 -7.593 -9.530 1.00 15.00 H new ATOM 0 HE21 GLN A 242 -10.781 -9.667 -8.603 1.00 15.00 H new ATOM 0 HE22 GLN A 242 -12.322 -10.378 -8.112 1.00 15.00 H new ATOM 190 N ASP A 243 -10.151 -3.213 -8.419 1.00 15.00 N ATOM 191 CA ASP A 243 -10.549 -2.045 -9.196 1.00 15.00 C ATOM 192 C ASP A 243 -9.479 -1.723 -10.239 1.00 15.00 C ATOM 193 O ASP A 243 -9.684 -0.904 -11.134 1.00 15.00 O ATOM 194 CB ASP A 243 -10.769 -0.839 -8.283 1.00 15.00 C ATOM 195 CG ASP A 243 -11.595 0.244 -8.949 1.00 15.00 C ATOM 196 OD1 ASP A 243 -12.841 0.129 -8.939 1.00 15.00 O ATOM 197 OD2 ASP A 243 -11.013 1.218 -9.473 1.00 15.00 O1- ATOM 0 H ASP A 243 -9.856 -3.008 -7.464 1.00 15.00 H new ATOM 0 HA ASP A 243 -11.487 -2.270 -9.703 1.00 15.00 H new ATOM 0 HB2 ASP A 243 -11.268 -1.164 -7.370 1.00 15.00 H new ATOM 0 HB3 ASP A 243 -9.803 -0.427 -7.989 1.00 15.00 H new ATOM 202 N GLY A 244 -8.329 -2.379 -10.109 1.00 15.00 N ATOM 203 CA GLY A 244 -7.252 -2.198 -11.059 1.00 15.00 C ATOM 204 C GLY A 244 -6.228 -1.183 -10.600 1.00 15.00 C ATOM 205 O GLY A 244 -5.653 -0.464 -11.417 1.00 15.00 O ATOM 0 H GLY A 244 -8.126 -3.037 -9.356 1.00 15.00 H new ATOM 0 HA2 GLY A 244 -6.758 -3.155 -11.227 1.00 15.00 H new ATOM 0 HA3 GLY A 244 -7.667 -1.881 -12.016 1.00 15.00 H new ATOM 209 N GLU A 245 -5.988 -1.121 -9.297 1.00 15.00 N ATOM 210 CA GLU A 245 -5.024 -0.169 -8.749 1.00 15.00 C ATOM 211 C GLU A 245 -4.162 -0.828 -7.682 1.00 15.00 C ATOM 212 O GLU A 245 -4.618 -1.709 -6.954 1.00 15.00 O ATOM 213 CB GLU A 245 -5.726 1.050 -8.147 1.00 15.00 C ATOM 214 CG GLU A 245 -6.519 1.870 -9.148 1.00 15.00 C ATOM 215 CD GLU A 245 -6.963 3.200 -8.585 1.00 15.00 C ATOM 216 OE1 GLU A 245 -6.149 4.150 -8.587 1.00 15.00 O ATOM 217 OE2 GLU A 245 -8.132 3.311 -8.170 1.00 15.00 O1- ATOM 0 H GLU A 245 -6.443 -1.713 -8.602 1.00 15.00 H new ATOM 0 HA GLU A 245 -4.392 0.161 -9.573 1.00 15.00 H new ATOM 0 HB2 GLU A 245 -6.397 0.715 -7.356 1.00 15.00 H new ATOM 0 HB3 GLU A 245 -4.979 1.691 -7.680 1.00 15.00 H new ATOM 0 HG2 GLU A 245 -5.911 2.040 -10.036 1.00 15.00 H new ATOM 0 HG3 GLU A 245 -7.394 1.303 -9.465 1.00 15.00 H new ATOM 224 N ILE A 246 -2.922 -0.383 -7.584 1.00 15.00 N ATOM 225 CA ILE A 246 -1.998 -0.887 -6.578 1.00 15.00 C ATOM 226 C ILE A 246 -1.937 0.075 -5.391 1.00 15.00 C ATOM 227 O ILE A 246 -1.884 1.289 -5.573 1.00 15.00 O ATOM 228 CB ILE A 246 -0.589 -1.081 -7.179 1.00 15.00 C ATOM 229 CG1 ILE A 246 -0.066 0.243 -7.757 1.00 15.00 C ATOM 230 CG2 ILE A 246 -0.620 -2.167 -8.245 1.00 15.00 C ATOM 231 CD1 ILE A 246 1.097 0.090 -8.716 1.00 15.00 C ATOM 0 H ILE A 246 -2.527 0.333 -8.194 1.00 15.00 H new ATOM 0 HA ILE A 246 -2.360 -1.855 -6.232 1.00 15.00 H new ATOM 0 HB ILE A 246 0.092 -1.396 -6.389 1.00 15.00 H new ATOM 0 HG12 ILE A 246 -0.883 0.748 -8.273 1.00 15.00 H new ATOM 0 HG13 ILE A 246 0.240 0.889 -6.934 1.00 15.00 H new ATOM 0 HG21 ILE A 246 0.379 -2.296 -8.662 1.00 15.00 H new ATOM 0 HG22 ILE A 246 -0.951 -3.105 -7.799 1.00 15.00 H new ATOM 0 HG23 ILE A 246 -1.310 -1.879 -9.038 1.00 15.00 H new ATOM 0 HD11 ILE A 246 1.403 1.072 -9.076 1.00 15.00 H new ATOM 0 HD12 ILE A 246 1.933 -0.385 -8.202 1.00 15.00 H new ATOM 0 HD13 ILE A 246 0.793 -0.528 -9.561 1.00 15.00 H new ATOM 243 N TYR A 247 -1.979 -0.461 -4.178 1.00 15.00 N ATOM 244 CA TYR A 247 -1.954 0.372 -2.986 1.00 15.00 C ATOM 245 C TYR A 247 -1.021 -0.226 -1.923 1.00 15.00 C ATOM 246 O TYR A 247 -0.982 -1.447 -1.733 1.00 15.00 O ATOM 247 CB TYR A 247 -3.375 0.547 -2.418 1.00 15.00 C ATOM 248 CG TYR A 247 -4.065 -0.736 -1.993 1.00 15.00 C ATOM 249 CD1 TYR A 247 -4.598 -1.610 -2.930 1.00 15.00 C ATOM 250 CD2 TYR A 247 -4.194 -1.065 -0.646 1.00 15.00 C ATOM 251 CE1 TYR A 247 -5.232 -2.777 -2.542 1.00 15.00 C ATOM 252 CE2 TYR A 247 -4.831 -2.233 -0.252 1.00 15.00 C ATOM 253 CZ TYR A 247 -5.344 -3.081 -1.203 1.00 15.00 C ATOM 254 OH TYR A 247 -5.978 -4.237 -0.812 1.00 15.00 O ATOM 0 H TYR A 247 -2.030 -1.463 -3.995 1.00 15.00 H new ATOM 0 HA TYR A 247 -1.570 1.353 -3.265 1.00 15.00 H new ATOM 0 HB2 TYR A 247 -3.325 1.216 -1.559 1.00 15.00 H new ATOM 0 HB3 TYR A 247 -3.991 1.040 -3.170 1.00 15.00 H new ATOM 0 HD1 TYR A 247 -4.516 -1.375 -3.981 1.00 15.00 H new ATOM 0 HD2 TYR A 247 -3.792 -0.400 0.104 1.00 15.00 H new ATOM 0 HE1 TYR A 247 -5.637 -3.447 -3.286 1.00 15.00 H new ATOM 0 HE2 TYR A 247 -4.923 -2.474 0.797 1.00 15.00 H new ATOM 0 HH TYR A 247 -6.111 -4.225 0.159 1.00 15.00 H new ATOM 264 N TYR A 248 -0.283 0.633 -1.221 1.00 15.00 N ATOM 265 CA TYR A 248 0.626 0.201 -0.173 1.00 15.00 C ATOM 266 C TYR A 248 -0.034 0.283 1.189 1.00 15.00 C ATOM 267 O TYR A 248 -0.493 1.348 1.610 1.00 15.00 O ATOM 268 CB TYR A 248 1.891 1.063 -0.165 1.00 15.00 C ATOM 269 CG TYR A 248 2.907 0.631 -1.182 1.00 15.00 C ATOM 270 CD1 TYR A 248 2.802 1.013 -2.514 1.00 15.00 C ATOM 271 CD2 TYR A 248 3.967 -0.178 -0.811 1.00 15.00 C ATOM 272 CE1 TYR A 248 3.726 0.593 -3.448 1.00 15.00 C ATOM 273 CE2 TYR A 248 4.889 -0.597 -1.737 1.00 15.00 C ATOM 274 CZ TYR A 248 4.766 -0.214 -3.054 1.00 15.00 C ATOM 275 OH TYR A 248 5.687 -0.639 -3.982 1.00 15.00 O ATOM 0 H TYR A 248 -0.302 1.643 -1.366 1.00 15.00 H new ATOM 0 HA TYR A 248 0.892 -0.836 -0.380 1.00 15.00 H new ATOM 0 HB2 TYR A 248 1.617 2.101 -0.353 1.00 15.00 H new ATOM 0 HB3 TYR A 248 2.341 1.027 0.827 1.00 15.00 H new ATOM 0 HD1 TYR A 248 1.985 1.648 -2.822 1.00 15.00 H new ATOM 0 HD2 TYR A 248 4.070 -0.483 0.220 1.00 15.00 H new ATOM 0 HE1 TYR A 248 3.633 0.896 -4.480 1.00 15.00 H new ATOM 0 HE2 TYR A 248 5.711 -1.227 -1.433 1.00 15.00 H new ATOM 0 HH TYR A 248 5.336 -0.489 -4.884 1.00 15.00 H new ATOM 285 N ILE A 249 -0.076 -0.842 1.876 1.00 15.00 N ATOM 286 CA ILE A 249 -0.561 -0.875 3.236 1.00 15.00 C ATOM 287 C ILE A 249 0.617 -0.917 4.203 1.00 15.00 C ATOM 288 O ILE A 249 1.418 -1.856 4.187 1.00 15.00 O ATOM 289 CB ILE A 249 -1.503 -2.077 3.474 1.00 15.00 C ATOM 290 CG1 ILE A 249 -0.891 -3.372 2.924 1.00 15.00 C ATOM 291 CG2 ILE A 249 -2.857 -1.813 2.831 1.00 15.00 C ATOM 292 CD1 ILE A 249 -1.756 -4.598 3.136 1.00 15.00 C ATOM 0 H ILE A 249 0.222 -1.747 1.510 1.00 15.00 H new ATOM 0 HA ILE A 249 -1.139 0.032 3.414 1.00 15.00 H new ATOM 0 HB ILE A 249 -1.639 -2.200 4.548 1.00 15.00 H new ATOM 0 HG12 ILE A 249 -0.706 -3.250 1.857 1.00 15.00 H new ATOM 0 HG13 ILE A 249 0.076 -3.535 3.399 1.00 15.00 H new ATOM 0 HG21 ILE A 249 -3.514 -2.665 3.004 1.00 15.00 H new ATOM 0 HG22 ILE A 249 -3.300 -0.919 3.269 1.00 15.00 H new ATOM 0 HG23 ILE A 249 -2.728 -1.666 1.759 1.00 15.00 H new ATOM 0 HD11 ILE A 249 -1.256 -5.473 2.720 1.00 15.00 H new ATOM 0 HD12 ILE A 249 -1.921 -4.747 4.203 1.00 15.00 H new ATOM 0 HD13 ILE A 249 -2.715 -4.457 2.637 1.00 15.00 H new ATOM 304 N ASN A 250 0.731 0.110 5.033 1.00 15.00 N ATOM 305 CA ASN A 250 1.837 0.208 5.972 1.00 15.00 C ATOM 306 C ASN A 250 1.437 -0.484 7.282 1.00 15.00 C ATOM 307 O ASN A 250 0.586 0.038 8.008 1.00 15.00 O ATOM 308 CB ASN A 250 2.198 1.680 6.233 1.00 15.00 C ATOM 309 CG ASN A 250 3.409 1.860 7.141 1.00 15.00 C ATOM 310 OD1 ASN A 250 3.673 1.055 8.033 1.00 15.00 O ATOM 311 ND2 ASN A 250 4.157 2.929 6.917 1.00 15.00 N ATOM 0 H ASN A 250 0.071 0.886 5.075 1.00 15.00 H new ATOM 0 HA ASN A 250 2.715 -0.282 5.551 1.00 15.00 H new ATOM 0 HB2 ASN A 250 2.393 2.172 5.280 1.00 15.00 H new ATOM 0 HB3 ASN A 250 1.340 2.182 6.681 1.00 15.00 H new ATOM 0 HD21 ASN A 250 4.981 3.105 7.493 1.00 15.00 H new ATOM 0 HD22 ASN A 250 3.910 3.577 6.169 1.00 15.00 H new ATOM 318 N HIS A 251 2.027 -1.658 7.578 1.00 15.00 N ATOM 319 CA HIS A 251 1.602 -2.472 8.705 1.00 15.00 C ATOM 320 C HIS A 251 2.163 -1.933 10.015 1.00 15.00 C ATOM 321 O HIS A 251 1.722 -2.320 11.096 1.00 15.00 O ATOM 322 CB HIS A 251 2.048 -3.931 8.505 1.00 15.00 C ATOM 323 CG HIS A 251 1.369 -4.640 7.364 1.00 15.00 C ATOM 324 ND1 HIS A 251 0.165 -5.254 7.300 1.00 15.00 N flip ATOM 325 CD2 HIS A 251 1.949 -4.817 6.122 1.00 15.00 C flip ATOM 326 CE1 HIS A 251 0.040 -5.787 6.041 1.00 15.00 C flip ATOM 327 NE2 HIS A 251 1.132 -5.505 5.353 1.00 15.00 N flip ATOM 0 H HIS A 251 2.800 -2.054 7.044 1.00 15.00 H new ATOM 0 HA HIS A 251 0.514 -2.433 8.757 1.00 15.00 H new ATOM 0 HB2 HIS A 251 3.125 -3.949 8.338 1.00 15.00 H new ATOM 0 HB3 HIS A 251 1.859 -4.485 9.425 1.00 15.00 H new ATOM 0 HD2 HIS A 251 2.921 -4.448 5.828 1.00 15.00 H new ATOM 0 HE1 HIS A 251 -0.809 -6.344 5.674 1.00 15.00 H new ATOM 0 HE2 HIS A 251 1.312 -5.776 4.386 1.00 15.00 H new ATOM 336 N LYS A 252 3.146 -1.050 9.912 1.00 15.00 N ATOM 337 CA LYS A 252 3.786 -0.482 11.095 1.00 15.00 C ATOM 338 C LYS A 252 3.092 0.798 11.559 1.00 15.00 C ATOM 339 O LYS A 252 2.924 1.020 12.759 1.00 15.00 O ATOM 340 CB LYS A 252 5.263 -0.195 10.824 1.00 15.00 C ATOM 341 CG LYS A 252 6.097 -1.438 10.566 1.00 15.00 C ATOM 342 CD LYS A 252 7.546 -1.079 10.288 1.00 15.00 C ATOM 343 CE LYS A 252 8.409 -2.317 10.130 1.00 15.00 C ATOM 344 NZ LYS A 252 9.813 -1.965 9.791 1.00 15.00 N1+ ATOM 0 H LYS A 252 3.519 -0.711 9.025 1.00 15.00 H new ATOM 0 HA LYS A 252 3.700 -1.222 11.891 1.00 15.00 H new ATOM 0 HB2 LYS A 252 5.342 0.468 9.962 1.00 15.00 H new ATOM 0 HB3 LYS A 252 5.681 0.340 11.677 1.00 15.00 H new ATOM 0 HG2 LYS A 252 6.043 -2.101 11.429 1.00 15.00 H new ATOM 0 HG3 LYS A 252 5.686 -1.985 9.718 1.00 15.00 H new ATOM 0 HD2 LYS A 252 7.604 -0.476 9.382 1.00 15.00 H new ATOM 0 HD3 LYS A 252 7.932 -0.467 11.103 1.00 15.00 H new ATOM 0 HE2 LYS A 252 8.391 -2.894 11.054 1.00 15.00 H new ATOM 0 HE3 LYS A 252 7.994 -2.953 9.349 1.00 15.00 H new ATOM 0 HZ1 LYS A 252 10.374 -2.835 9.690 1.00 15.00 H new ATOM 0 HZ2 LYS A 252 9.832 -1.435 8.896 1.00 15.00 H new ATOM 0 HZ3 LYS A 252 10.216 -1.378 10.549 1.00 15.00 H new ATOM 358 N ASN A 253 2.721 1.654 10.615 1.00 15.00 N ATOM 359 CA ASN A 253 2.103 2.933 10.949 1.00 15.00 C ATOM 360 C ASN A 253 0.592 2.888 10.780 1.00 15.00 C ATOM 361 O ASN A 253 -0.101 3.828 11.179 1.00 15.00 O ATOM 362 CB ASN A 253 2.680 4.062 10.087 1.00 15.00 C ATOM 363 CG ASN A 253 4.125 4.372 10.421 1.00 15.00 C ATOM 364 OD1 ASN A 253 5.044 3.754 9.885 1.00 15.00 O ATOM 365 ND2 ASN A 253 4.339 5.342 11.301 1.00 15.00 N ATOM 0 H ASN A 253 2.836 1.488 9.615 1.00 15.00 H new ATOM 0 HA ASN A 253 2.328 3.130 11.997 1.00 15.00 H new ATOM 0 HB2 ASN A 253 2.606 3.785 9.035 1.00 15.00 H new ATOM 0 HB3 ASN A 253 2.079 4.961 10.223 1.00 15.00 H new ATOM 0 HD21 ASN A 253 5.293 5.599 11.555 1.00 15.00 H new ATOM 0 HD22 ASN A 253 3.550 5.831 11.723 1.00 15.00 H new ATOM 372 N LYS A 254 0.088 1.800 10.183 1.00 15.00 N ATOM 373 CA LYS A 254 -1.348 1.636 9.946 1.00 15.00 C ATOM 374 C LYS A 254 -1.826 2.709 8.957 1.00 15.00 C ATOM 375 O LYS A 254 -2.933 3.237 9.049 1.00 15.00 O ATOM 376 CB LYS A 254 -2.093 1.701 11.293 1.00 15.00 C ATOM 377 CG LYS A 254 -3.539 1.217 11.261 1.00 15.00 C ATOM 378 CD LYS A 254 -4.523 2.369 11.413 1.00 15.00 C ATOM 379 CE LYS A 254 -4.307 3.124 12.715 1.00 15.00 C ATOM 380 NZ LYS A 254 -5.166 4.334 12.807 1.00 15.00 N1+ ATOM 0 H LYS A 254 0.657 1.020 9.855 1.00 15.00 H new ATOM 0 HA LYS A 254 -1.559 0.664 9.499 1.00 15.00 H new ATOM 0 HB2 LYS A 254 -1.544 1.106 12.022 1.00 15.00 H new ATOM 0 HB3 LYS A 254 -2.080 2.732 11.648 1.00 15.00 H new ATOM 0 HG2 LYS A 254 -3.728 0.699 10.321 1.00 15.00 H new ATOM 0 HG3 LYS A 254 -3.699 0.494 12.061 1.00 15.00 H new ATOM 0 HD2 LYS A 254 -4.414 3.054 10.572 1.00 15.00 H new ATOM 0 HD3 LYS A 254 -5.542 1.984 11.380 1.00 15.00 H new ATOM 0 HE2 LYS A 254 -4.519 2.464 13.556 1.00 15.00 H new ATOM 0 HE3 LYS A 254 -3.260 3.416 12.795 1.00 15.00 H new ATOM 0 HZ1 LYS A 254 -4.987 4.819 13.710 1.00 15.00 H new ATOM 0 HZ2 LYS A 254 -4.946 4.976 12.019 1.00 15.00 H new ATOM 0 HZ3 LYS A 254 -6.166 4.054 12.757 1.00 15.00 H new ATOM 394 N THR A 255 -0.987 2.983 7.970 1.00 15.00 N ATOM 395 CA THR A 255 -1.248 4.056 7.013 1.00 15.00 C ATOM 396 C THR A 255 -1.283 3.529 5.575 1.00 15.00 C ATOM 397 O THR A 255 -0.637 2.533 5.260 1.00 15.00 O ATOM 398 CB THR A 255 -0.196 5.180 7.128 1.00 15.00 C ATOM 399 OG1 THR A 255 1.126 4.627 7.114 1.00 15.00 O ATOM 400 CG2 THR A 255 -0.401 5.989 8.398 1.00 15.00 C ATOM 0 H THR A 255 -0.116 2.478 7.807 1.00 15.00 H new ATOM 0 HA THR A 255 -2.228 4.466 7.258 1.00 15.00 H new ATOM 0 HB THR A 255 -0.317 5.843 6.271 1.00 15.00 H new ATOM 0 HG1 THR A 255 1.784 5.350 7.186 1.00 15.00 H new ATOM 0 HG21 THR A 255 0.353 6.774 8.455 1.00 15.00 H new ATOM 0 HG22 THR A 255 -1.394 6.439 8.386 1.00 15.00 H new ATOM 0 HG23 THR A 255 -0.310 5.335 9.265 1.00 15.00 H new ATOM 408 N THR A 256 -2.060 4.173 4.708 1.00 15.00 N ATOM 409 CA THR A 256 -2.151 3.749 3.320 1.00 15.00 C ATOM 410 C THR A 256 -1.596 4.822 2.380 1.00 15.00 C ATOM 411 O THR A 256 -1.921 6.003 2.509 1.00 15.00 O ATOM 412 CB THR A 256 -3.609 3.434 2.931 1.00 15.00 C ATOM 413 OG1 THR A 256 -4.230 2.664 3.971 1.00 15.00 O ATOM 414 CG2 THR A 256 -3.666 2.651 1.628 1.00 15.00 C ATOM 0 H THR A 256 -2.631 4.985 4.943 1.00 15.00 H new ATOM 0 HA THR A 256 -1.553 2.843 3.219 1.00 15.00 H new ATOM 0 HB THR A 256 -4.139 4.377 2.797 1.00 15.00 H new ATOM 0 HG1 THR A 256 -5.157 2.466 3.723 1.00 15.00 H new ATOM 0 HG21 THR A 256 -4.705 2.441 1.375 1.00 15.00 H new ATOM 0 HG22 THR A 256 -3.210 3.238 0.831 1.00 15.00 H new ATOM 0 HG23 THR A 256 -3.124 1.712 1.743 1.00 15.00 H new ATOM 422 N SER A 257 -0.748 4.399 1.451 1.00 15.00 N ATOM 423 CA SER A 257 -0.182 5.284 0.439 1.00 15.00 C ATOM 424 C SER A 257 -0.166 4.546 -0.895 1.00 15.00 C ATOM 425 O SER A 257 0.122 3.364 -0.926 1.00 15.00 O ATOM 426 CB SER A 257 1.237 5.702 0.836 1.00 15.00 C ATOM 427 OG SER A 257 1.770 6.646 -0.078 1.00 15.00 O ATOM 0 H SER A 257 -0.433 3.432 1.377 1.00 15.00 H new ATOM 0 HA SER A 257 -0.788 6.186 0.353 1.00 15.00 H new ATOM 0 HB2 SER A 257 1.226 6.130 1.839 1.00 15.00 H new ATOM 0 HB3 SER A 257 1.881 4.823 0.872 1.00 15.00 H new ATOM 0 HG SER A 257 2.676 6.896 0.201 1.00 15.00 H new ATOM 433 N TRP A 258 -0.457 5.238 -1.985 1.00 15.00 N ATOM 434 CA TRP A 258 -0.623 4.587 -3.288 1.00 15.00 C ATOM 435 C TRP A 258 0.652 3.898 -3.794 1.00 15.00 C ATOM 436 O TRP A 258 0.683 2.682 -3.966 1.00 15.00 O ATOM 437 CB TRP A 258 -1.092 5.599 -4.337 1.00 15.00 C ATOM 438 CG TRP A 258 -2.560 5.898 -4.297 1.00 15.00 C ATOM 439 CD1 TRP A 258 -3.147 7.090 -3.984 1.00 15.00 C ATOM 440 CD2 TRP A 258 -3.628 4.989 -4.588 1.00 15.00 C ATOM 441 NE1 TRP A 258 -4.512 6.981 -4.078 1.00 15.00 N ATOM 442 CE2 TRP A 258 -4.833 5.699 -4.446 1.00 15.00 C ATOM 443 CE3 TRP A 258 -3.680 3.644 -4.957 1.00 15.00 C ATOM 444 CZ2 TRP A 258 -6.076 5.105 -4.667 1.00 15.00 C ATOM 445 CZ3 TRP A 258 -4.913 3.057 -5.171 1.00 15.00 C ATOM 446 CH2 TRP A 258 -6.095 3.789 -5.027 1.00 15.00 C ATOM 0 H TRP A 258 -0.584 6.250 -2.000 1.00 15.00 H new ATOM 0 HA TRP A 258 -1.375 3.813 -3.139 1.00 15.00 H new ATOM 0 HB2 TRP A 258 -0.540 6.529 -4.199 1.00 15.00 H new ATOM 0 HB3 TRP A 258 -0.837 5.222 -5.327 1.00 15.00 H new ATOM 0 HD1 TRP A 258 -2.615 7.987 -3.704 1.00 15.00 H new ATOM 0 HE1 TRP A 258 -5.180 7.732 -3.903 1.00 15.00 H new ATOM 0 HE3 TRP A 258 -2.772 3.071 -5.073 1.00 15.00 H new ATOM 0 HZ2 TRP A 258 -6.991 5.667 -4.557 1.00 15.00 H new ATOM 0 HZ3 TRP A 258 -4.964 2.016 -5.454 1.00 15.00 H new ATOM 0 HH2 TRP A 258 -7.043 3.303 -5.204 1.00 15.00 H new ATOM 457 N LEU A 259 1.694 4.680 -4.022 1.00 15.00 N ATOM 458 CA LEU A 259 2.849 4.230 -4.799 1.00 15.00 C ATOM 459 C LEU A 259 4.157 4.257 -4.027 1.00 15.00 C ATOM 460 O LEU A 259 4.277 4.922 -2.996 1.00 15.00 O ATOM 461 CB LEU A 259 2.972 5.000 -6.109 1.00 15.00 C ATOM 462 CG LEU A 259 2.229 4.344 -7.276 1.00 15.00 C ATOM 463 CD1 LEU A 259 2.490 5.094 -8.573 1.00 15.00 C ATOM 464 CD2 LEU A 259 2.643 2.879 -7.400 1.00 15.00 C ATOM 0 H LEU A 259 1.769 5.638 -3.679 1.00 15.00 H new ATOM 0 HA LEU A 259 2.657 3.181 -5.026 1.00 15.00 H new ATOM 0 HB2 LEU A 259 2.587 6.010 -5.965 1.00 15.00 H new ATOM 0 HB3 LEU A 259 4.027 5.095 -6.368 1.00 15.00 H new ATOM 0 HG LEU A 259 1.158 4.387 -7.078 1.00 15.00 H new ATOM 0 HD11 LEU A 259 1.952 4.610 -9.388 1.00 15.00 H new ATOM 0 HD12 LEU A 259 2.147 6.124 -8.473 1.00 15.00 H new ATOM 0 HD13 LEU A 259 3.558 5.087 -8.789 1.00 15.00 H new ATOM 0 HD21 LEU A 259 2.110 2.419 -8.232 1.00 15.00 H new ATOM 0 HD22 LEU A 259 3.717 2.818 -7.579 1.00 15.00 H new ATOM 0 HD23 LEU A 259 2.398 2.352 -6.478 1.00 15.00 H new ATOM 476 N ASP A 260 5.132 3.505 -4.550 1.00 15.00 N ATOM 477 CA ASP A 260 6.408 3.258 -3.885 1.00 15.00 C ATOM 478 C ASP A 260 7.138 4.572 -3.615 1.00 15.00 C ATOM 479 O ASP A 260 7.516 5.307 -4.528 1.00 15.00 O ATOM 480 CB ASP A 260 7.267 2.360 -4.798 1.00 15.00 C ATOM 481 CG ASP A 260 8.642 2.007 -4.242 1.00 15.00 C ATOM 482 OD1 ASP A 260 9.331 2.891 -3.702 1.00 15.00 O1- ATOM 483 OD2 ASP A 260 9.045 0.830 -4.361 1.00 15.00 O ATOM 0 H ASP A 260 5.052 3.047 -5.458 1.00 15.00 H new ATOM 0 HA ASP A 260 6.231 2.767 -2.928 1.00 15.00 H new ATOM 0 HB2 ASP A 260 6.722 1.436 -4.992 1.00 15.00 H new ATOM 0 HB3 ASP A 260 7.397 2.861 -5.757 1.00 15.00 H new ATOM 488 N PRO A 261 7.311 4.876 -2.321 1.00 15.00 N ATOM 489 CA PRO A 261 7.908 6.125 -1.845 1.00 15.00 C ATOM 490 C PRO A 261 9.433 6.123 -1.906 1.00 15.00 C ATOM 491 O PRO A 261 10.074 7.158 -1.733 1.00 15.00 O ATOM 492 CB PRO A 261 7.435 6.170 -0.397 1.00 15.00 C ATOM 493 CG PRO A 261 7.405 4.744 0.009 1.00 15.00 C ATOM 494 CD PRO A 261 6.922 3.999 -1.200 1.00 15.00 C ATOM 0 HA PRO A 261 7.616 6.982 -2.453 1.00 15.00 H new ATOM 0 HB2 PRO A 261 8.114 6.750 0.228 1.00 15.00 H new ATOM 0 HB3 PRO A 261 6.451 6.631 -0.312 1.00 15.00 H new ATOM 0 HG2 PRO A 261 8.394 4.401 0.314 1.00 15.00 H new ATOM 0 HG3 PRO A 261 6.739 4.591 0.858 1.00 15.00 H new ATOM 0 HD2 PRO A 261 7.387 3.016 -1.279 1.00 15.00 H new ATOM 0 HD3 PRO A 261 5.844 3.840 -1.170 1.00 15.00 H new ATOM 502 N ARG A 262 10.003 4.950 -2.124 1.00 15.00 N ATOM 503 CA ARG A 262 11.446 4.784 -2.172 1.00 15.00 C ATOM 504 C ARG A 262 11.969 5.217 -3.544 1.00 15.00 C ATOM 505 O ARG A 262 13.168 5.407 -3.743 1.00 15.00 O ATOM 506 CB ARG A 262 11.790 3.323 -1.801 1.00 15.00 C ATOM 507 CG ARG A 262 13.237 2.878 -2.022 1.00 15.00 C ATOM 508 CD ARG A 262 13.507 2.482 -3.469 1.00 15.00 C ATOM 509 NE ARG A 262 12.366 1.795 -4.077 1.00 15.00 N ATOM 510 CZ ARG A 262 12.343 1.352 -5.329 1.00 15.00 C ATOM 511 NH1 ARG A 262 13.445 1.380 -6.068 1.00 15.00 N1+ ATOM 512 NH2 ARG A 262 11.227 0.849 -5.828 1.00 15.00 N ATOM 0 H ARG A 262 9.480 4.087 -2.272 1.00 15.00 H new ATOM 0 HA ARG A 262 11.946 5.423 -1.445 1.00 15.00 H new ATOM 0 HB2 ARG A 262 11.545 3.173 -0.750 1.00 15.00 H new ATOM 0 HB3 ARG A 262 11.140 2.664 -2.377 1.00 15.00 H new ATOM 0 HG2 ARG A 262 13.911 3.686 -1.737 1.00 15.00 H new ATOM 0 HG3 ARG A 262 13.459 2.034 -1.369 1.00 15.00 H new ATOM 0 HD2 ARG A 262 13.743 3.374 -4.050 1.00 15.00 H new ATOM 0 HD3 ARG A 262 14.383 1.834 -3.509 1.00 15.00 H new ATOM 0 HE ARG A 262 11.536 1.647 -3.503 1.00 15.00 H new ATOM 0 HH11 ARG A 262 14.314 1.743 -5.675 1.00 15.00 H new ATOM 0 HH12 ARG A 262 13.423 1.039 -7.029 1.00 15.00 H new ATOM 0 HH21 ARG A 262 10.387 0.802 -5.252 1.00 15.00 H new ATOM 0 HH22 ARG A 262 11.206 0.508 -6.789 1.00 15.00 H new ATOM 526 N LEU A 263 11.046 5.385 -4.488 1.00 15.00 N ATOM 527 CA LEU A 263 11.385 5.877 -5.820 1.00 15.00 C ATOM 528 C LEU A 263 11.573 7.392 -5.826 1.00 15.00 C ATOM 529 O LEU A 263 12.138 7.947 -6.768 1.00 15.00 O ATOM 530 CB LEU A 263 10.298 5.500 -6.832 1.00 15.00 C ATOM 531 CG LEU A 263 10.236 4.023 -7.217 1.00 15.00 C ATOM 532 CD1 LEU A 263 9.024 3.754 -8.095 1.00 15.00 C ATOM 533 CD2 LEU A 263 11.508 3.614 -7.942 1.00 15.00 C ATOM 0 H LEU A 263 10.054 5.187 -4.354 1.00 15.00 H new ATOM 0 HA LEU A 263 12.326 5.406 -6.105 1.00 15.00 H new ATOM 0 HB2 LEU A 263 9.330 5.791 -6.424 1.00 15.00 H new ATOM 0 HB3 LEU A 263 10.451 6.087 -7.738 1.00 15.00 H new ATOM 0 HG LEU A 263 10.145 3.432 -6.306 1.00 15.00 H new ATOM 0 HD11 LEU A 263 8.994 2.697 -8.361 1.00 15.00 H new ATOM 0 HD12 LEU A 263 8.116 4.017 -7.552 1.00 15.00 H new ATOM 0 HD13 LEU A 263 9.092 4.354 -9.002 1.00 15.00 H new ATOM 0 HD21 LEU A 263 11.451 2.559 -8.211 1.00 15.00 H new ATOM 0 HD22 LEU A 263 11.620 4.213 -8.846 1.00 15.00 H new ATOM 0 HD23 LEU A 263 12.366 3.776 -7.290 1.00 15.00 H new ATOM 545 N ASP A 264 11.068 8.060 -4.794 1.00 15.00 N ATOM 546 CA ASP A 264 11.159 9.523 -4.711 1.00 15.00 C ATOM 547 C ASP A 264 12.603 10.047 -4.634 1.00 15.00 C ATOM 548 O ASP A 264 12.967 10.950 -5.387 1.00 15.00 O ATOM 549 CB ASP A 264 10.337 10.056 -3.531 1.00 15.00 C ATOM 550 CG ASP A 264 10.630 11.516 -3.228 1.00 15.00 C ATOM 551 OD1 ASP A 264 10.132 12.397 -3.960 1.00 15.00 O1- ATOM 552 OD2 ASP A 264 11.356 11.790 -2.246 1.00 15.00 O ATOM 0 H ASP A 264 10.593 7.620 -4.006 1.00 15.00 H new ATOM 0 HA ASP A 264 10.742 9.900 -5.645 1.00 15.00 H new ATOM 0 HB2 ASP A 264 9.276 9.940 -3.750 1.00 15.00 H new ATOM 0 HB3 ASP A 264 10.547 9.456 -2.646 1.00 15.00 H new ATOM 557 N PRO A 265 13.438 9.514 -3.723 1.00 15.00 N ATOM 558 CA PRO A 265 14.842 9.917 -3.605 1.00 15.00 C ATOM 559 C PRO A 265 15.660 9.538 -4.837 1.00 15.00 C ATOM 560 O PRO A 265 16.026 10.446 -5.610 1.00 15.00 O ATOM 561 CB PRO A 265 15.338 9.150 -2.375 1.00 15.00 C ATOM 562 CG PRO A 265 14.405 7.997 -2.246 1.00 15.00 C ATOM 563 CD PRO A 265 13.079 8.504 -2.724 1.00 15.00 C ATOM 564 OXT PRO A 265 15.926 8.333 -5.030 1.00 15.00 O ATOM 0 HA PRO A 265 14.946 10.998 -3.516 1.00 15.00 H new ATOM 0 HB2 PRO A 265 16.367 8.814 -2.506 1.00 15.00 H new ATOM 0 HB3 PRO A 265 15.319 9.777 -1.483 1.00 15.00 H new ATOM 0 HG2 PRO A 265 14.741 7.151 -2.845 1.00 15.00 H new ATOM 0 HG3 PRO A 265 14.345 7.653 -1.213 1.00 15.00 H new ATOM 0 HD2 PRO A 265 12.477 7.706 -3.159 1.00 15.00 H new ATOM 0 HD3 PRO A 265 12.497 8.935 -1.909 1.00 15.00 H new ATOM 573 N SER B 206 -6.851 11.200 -4.536 1.00 15.00 N ATOM 574 CA SER B 206 -7.865 10.148 -4.351 1.00 15.00 C ATOM 575 C SER B 206 -7.497 9.264 -3.162 1.00 15.00 C ATOM 576 O SER B 206 -6.378 8.751 -3.083 1.00 15.00 O ATOM 577 CB SER B 206 -7.963 9.311 -5.626 1.00 15.00 C ATOM 578 OG SER B 206 -8.176 10.141 -6.758 1.00 15.00 O ATOM 0 HA SER B 206 -8.832 10.609 -4.149 1.00 15.00 H new ATOM 0 HB2 SER B 206 -7.048 8.734 -5.759 1.00 15.00 H new ATOM 0 HB3 SER B 206 -8.780 8.595 -5.535 1.00 15.00 H new ATOM 0 HG SER B 206 -7.817 11.035 -6.580 1.00 15.00 H new ATOM 586 N PRO B 207 -8.426 9.090 -2.211 1.00 15.00 N ATOM 587 CA PRO B 207 -8.202 8.258 -1.024 1.00 15.00 C ATOM 588 C PRO B 207 -8.021 6.783 -1.382 1.00 15.00 C ATOM 589 O PRO B 207 -8.854 6.197 -2.077 1.00 15.00 O ATOM 590 CB PRO B 207 -9.478 8.449 -0.190 1.00 15.00 C ATOM 591 CG PRO B 207 -10.140 9.660 -0.754 1.00 15.00 C ATOM 592 CD PRO B 207 -9.765 9.693 -2.207 1.00 15.00 C ATOM 0 HA PRO B 207 -7.292 8.546 -0.497 1.00 15.00 H new ATOM 0 HB2 PRO B 207 -10.128 7.577 -0.260 1.00 15.00 H new ATOM 0 HB3 PRO B 207 -9.241 8.586 0.865 1.00 15.00 H new ATOM 0 HG2 PRO B 207 -11.222 9.607 -0.631 1.00 15.00 H new ATOM 0 HG3 PRO B 207 -9.804 10.563 -0.243 1.00 15.00 H new ATOM 0 HD2 PRO B 207 -10.466 9.125 -2.819 1.00 15.00 H new ATOM 0 HD3 PRO B 207 -9.752 10.710 -2.598 1.00 15.00 H new ATOM 600 N PRO B 208 -6.918 6.171 -0.928 1.00 15.00 N ATOM 601 CA PRO B 208 -6.651 4.753 -1.150 1.00 15.00 C ATOM 602 C PRO B 208 -7.468 3.878 -0.203 1.00 15.00 C ATOM 603 O PRO B 208 -7.768 4.290 0.918 1.00 15.00 O ATOM 604 CB PRO B 208 -5.150 4.611 -0.845 1.00 15.00 C ATOM 605 CG PRO B 208 -4.647 5.991 -0.549 1.00 15.00 C ATOM 606 CD PRO B 208 -5.843 6.802 -0.159 1.00 15.00 C ATOM 0 HA PRO B 208 -6.919 4.436 -2.158 1.00 15.00 H new ATOM 0 HB2 PRO B 208 -4.987 3.948 0.004 1.00 15.00 H new ATOM 0 HB3 PRO B 208 -4.620 4.178 -1.694 1.00 15.00 H new ATOM 0 HG2 PRO B 208 -3.912 5.972 0.255 1.00 15.00 H new ATOM 0 HG3 PRO B 208 -4.154 6.420 -1.421 1.00 15.00 H new ATOM 0 HD2 PRO B 208 -6.031 6.757 0.914 1.00 15.00 H new ATOM 0 HD3 PRO B 208 -5.722 7.854 -0.418 1.00 15.00 H new ATOM 614 N PRO B 209 -7.821 2.653 -0.639 1.00 15.00 N ATOM 615 CA PRO B 209 -8.583 1.700 0.175 1.00 15.00 C ATOM 616 C PRO B 209 -7.998 1.537 1.578 1.00 15.00 C ATOM 617 O PRO B 209 -6.802 1.279 1.739 1.00 15.00 O ATOM 618 CB PRO B 209 -8.481 0.376 -0.606 1.00 15.00 C ATOM 619 CG PRO B 209 -7.499 0.626 -1.704 1.00 15.00 C ATOM 620 CD PRO B 209 -7.526 2.103 -1.964 1.00 15.00 C ATOM 0 HA PRO B 209 -9.609 2.035 0.328 1.00 15.00 H new ATOM 0 HB2 PRO B 209 -8.146 -0.435 0.041 1.00 15.00 H new ATOM 0 HB3 PRO B 209 -9.451 0.083 -1.008 1.00 15.00 H new ATOM 0 HG2 PRO B 209 -6.500 0.300 -1.414 1.00 15.00 H new ATOM 0 HG3 PRO B 209 -7.768 0.068 -2.601 1.00 15.00 H new ATOM 0 HD2 PRO B 209 -6.573 2.464 -2.350 1.00 15.00 H new ATOM 0 HD3 PRO B 209 -8.289 2.373 -2.694 1.00 15.00 H new ATOM 628 N PRO B 210 -8.849 1.709 2.606 1.00 15.00 N ATOM 629 CA PRO B 210 -8.442 1.653 4.015 1.00 15.00 C ATOM 630 C PRO B 210 -7.613 0.421 4.356 1.00 15.00 C ATOM 631 O PRO B 210 -7.954 -0.701 3.982 1.00 15.00 O ATOM 632 CB PRO B 210 -9.775 1.618 4.763 1.00 15.00 C ATOM 633 CG PRO B 210 -10.721 2.328 3.867 1.00 15.00 C ATOM 634 CD PRO B 210 -10.292 1.987 2.466 1.00 15.00 C ATOM 0 HA PRO B 210 -7.800 2.494 4.277 1.00 15.00 H new ATOM 0 HB2 PRO B 210 -10.098 0.594 4.951 1.00 15.00 H new ATOM 0 HB3 PRO B 210 -9.700 2.111 5.732 1.00 15.00 H new ATOM 0 HG2 PRO B 210 -11.747 2.009 4.050 1.00 15.00 H new ATOM 0 HG3 PRO B 210 -10.686 3.404 4.036 1.00 15.00 H new ATOM 0 HD2 PRO B 210 -10.832 1.122 2.080 1.00 15.00 H new ATOM 0 HD3 PRO B 210 -10.477 2.812 1.778 1.00 15.00 H new ATOM 642 N TYR B 211 -6.540 0.651 5.102 1.00 15.00 N ATOM 643 CA TYR B 211 -5.627 -0.407 5.534 1.00 15.00 C ATOM 644 C TYR B 211 -6.316 -1.412 6.470 1.00 15.00 C ATOM 645 O TYR B 211 -5.770 -2.475 6.767 1.00 15.00 O ATOM 646 CB TYR B 211 -4.406 0.239 6.210 1.00 15.00 C ATOM 647 CG TYR B 211 -3.558 -0.694 7.051 1.00 15.00 C ATOM 648 CD1 TYR B 211 -2.768 -1.676 6.469 1.00 15.00 C ATOM 649 CD2 TYR B 211 -3.550 -0.584 8.433 1.00 15.00 C ATOM 650 CE1 TYR B 211 -1.996 -2.521 7.243 1.00 15.00 C ATOM 651 CE2 TYR B 211 -2.782 -1.422 9.214 1.00 15.00 C ATOM 652 CZ TYR B 211 -2.007 -2.389 8.615 1.00 15.00 C ATOM 653 OH TYR B 211 -1.240 -3.229 9.389 1.00 15.00 O ATOM 0 H TYR B 211 -6.275 1.581 5.428 1.00 15.00 H new ATOM 0 HA TYR B 211 -5.304 -0.974 4.661 1.00 15.00 H new ATOM 0 HB2 TYR B 211 -3.775 0.679 5.438 1.00 15.00 H new ATOM 0 HB3 TYR B 211 -4.752 1.056 6.842 1.00 15.00 H new ATOM 0 HD1 TYR B 211 -2.757 -1.781 5.394 1.00 15.00 H new ATOM 0 HD2 TYR B 211 -4.157 0.173 8.907 1.00 15.00 H new ATOM 0 HE1 TYR B 211 -1.387 -3.281 6.776 1.00 15.00 H new ATOM 0 HE2 TYR B 211 -2.789 -1.320 10.289 1.00 15.00 H new ATOM 0 HH TYR B 211 -0.843 -3.924 8.823 1.00 15.00 H new ATOM 663 N SER B 212 -7.523 -1.081 6.914 1.00 15.00 N ATOM 664 CA SER B 212 -8.256 -1.934 7.837 1.00 15.00 C ATOM 665 C SER B 212 -8.512 -3.319 7.237 1.00 15.00 C ATOM 666 O SER B 212 -8.249 -4.333 7.884 1.00 15.00 O ATOM 667 CB SER B 212 -9.571 -1.266 8.231 1.00 15.00 C ATOM 668 OG SER B 212 -9.330 0.012 8.792 1.00 15.00 O ATOM 0 H SER B 212 -8.014 -0.227 6.649 1.00 15.00 H new ATOM 0 HA SER B 212 -7.646 -2.072 8.730 1.00 15.00 H new ATOM 0 HB2 SER B 212 -10.213 -1.170 7.356 1.00 15.00 H new ATOM 0 HB3 SER B 212 -10.102 -1.891 8.949 1.00 15.00 H new ATOM 0 HG SER B 212 -10.183 0.428 9.038 1.00 15.00 H new ATOM 674 N ARG B 213 -9.041 -3.368 6.018 1.00 15.00 N ATOM 675 CA ARG B 213 -9.211 -4.640 5.332 1.00 15.00 C ATOM 676 C ARG B 213 -9.119 -4.476 3.818 1.00 15.00 C ATOM 677 O ARG B 213 -9.235 -3.368 3.292 1.00 15.00 O ATOM 678 CB ARG B 213 -10.519 -5.325 5.702 1.00 15.00 C ATOM 679 CG ARG B 213 -10.398 -6.834 5.629 1.00 15.00 C ATOM 680 CD ARG B 213 -9.896 -7.406 6.943 1.00 15.00 C ATOM 681 NE ARG B 213 -10.933 -7.384 7.975 1.00 15.00 N ATOM 682 CZ ARG B 213 -10.696 -7.449 9.288 1.00 15.00 C ATOM 683 NH1 ARG B 213 -9.450 -7.453 9.756 1.00 15.00 N1+ ATOM 684 NH2 ARG B 213 -11.717 -7.496 10.138 1.00 15.00 N ATOM 0 H ARG B 213 -9.355 -2.552 5.492 1.00 15.00 H new ATOM 0 HA ARG B 213 -8.392 -5.278 5.665 1.00 15.00 H new ATOM 0 HB2 ARG B 213 -10.812 -5.031 6.710 1.00 15.00 H new ATOM 0 HB3 ARG B 213 -11.309 -4.990 5.030 1.00 15.00 H new ATOM 0 HG2 ARG B 213 -11.368 -7.268 5.387 1.00 15.00 H new ATOM 0 HG3 ARG B 213 -9.716 -7.109 4.825 1.00 15.00 H new ATOM 0 HD2 ARG B 213 -9.558 -8.431 6.788 1.00 15.00 H new ATOM 0 HD3 ARG B 213 -9.033 -6.834 7.283 1.00 15.00 H new ATOM 0 HE ARG B 213 -11.904 -7.314 7.671 1.00 15.00 H new ATOM 0 HH11 ARG B 213 -8.662 -7.406 9.110 1.00 15.00 H new ATOM 0 HH12 ARG B 213 -9.283 -7.503 10.761 1.00 15.00 H new ATOM 0 HH21 ARG B 213 -12.674 -7.482 9.786 1.00 15.00 H new ATOM 0 HH22 ARG B 213 -11.543 -7.546 11.142 1.00 15.00 H new ATOM 698 N TYR B 214 -8.955 -5.598 3.127 1.00 15.00 N ATOM 699 CA TYR B 214 -8.657 -5.595 1.704 1.00 15.00 C ATOM 700 C TYR B 214 -9.949 -5.615 0.899 1.00 15.00 C ATOM 701 O TYR B 214 -10.814 -6.460 1.121 1.00 15.00 O ATOM 702 CB TYR B 214 -7.789 -6.812 1.337 1.00 15.00 C ATOM 703 CG TYR B 214 -6.663 -7.080 2.316 1.00 15.00 C ATOM 704 CD1 TYR B 214 -6.220 -6.092 3.184 1.00 15.00 C ATOM 705 CD2 TYR B 214 -6.062 -8.331 2.392 1.00 15.00 C ATOM 706 CE1 TYR B 214 -5.223 -6.332 4.094 1.00 15.00 C ATOM 707 CE2 TYR B 214 -5.051 -8.580 3.302 1.00 15.00 C ATOM 708 CZ TYR B 214 -4.637 -7.577 4.153 1.00 15.00 C ATOM 709 OH TYR B 214 -3.640 -7.822 5.069 1.00 15.00 O ATOM 0 H TYR B 214 -9.025 -6.530 3.537 1.00 15.00 H new ATOM 0 HA TYR B 214 -8.105 -4.686 1.465 1.00 15.00 H new ATOM 0 HB2 TYR B 214 -8.425 -7.695 1.279 1.00 15.00 H new ATOM 0 HB3 TYR B 214 -7.366 -6.658 0.344 1.00 15.00 H new ATOM 0 HD1 TYR B 214 -6.671 -5.112 3.142 1.00 15.00 H new ATOM 0 HD2 TYR B 214 -6.389 -9.120 1.731 1.00 15.00 H new ATOM 0 HE1 TYR B 214 -4.898 -5.548 4.762 1.00 15.00 H new ATOM 0 HE2 TYR B 214 -4.588 -9.555 3.346 1.00 15.00 H new ATOM 0 HH TYR B 214 -3.335 -8.749 4.980 1.00 15.00 H new ATOM 719 N PRO B 215 -10.073 -4.686 -0.055 1.00 15.00 N ATOM 720 CA PRO B 215 -11.282 -4.516 -0.874 1.00 15.00 C ATOM 721 C PRO B 215 -11.555 -5.688 -1.823 1.00 15.00 C ATOM 722 O PRO B 215 -12.549 -5.686 -2.548 1.00 15.00 O ATOM 723 CB PRO B 215 -10.994 -3.239 -1.674 1.00 15.00 C ATOM 724 CG PRO B 215 -9.506 -3.128 -1.696 1.00 15.00 C ATOM 725 CD PRO B 215 -9.035 -3.697 -0.395 1.00 15.00 C ATOM 0 HA PRO B 215 -12.173 -4.465 -0.249 1.00 15.00 H new ATOM 0 HB2 PRO B 215 -11.400 -3.305 -2.683 1.00 15.00 H new ATOM 0 HB3 PRO B 215 -11.448 -2.367 -1.204 1.00 15.00 H new ATOM 0 HG2 PRO B 215 -9.085 -3.678 -2.538 1.00 15.00 H new ATOM 0 HG3 PRO B 215 -9.193 -2.090 -1.805 1.00 15.00 H new ATOM 0 HD2 PRO B 215 -8.054 -4.162 -0.492 1.00 15.00 H new ATOM 0 HD3 PRO B 215 -8.948 -2.927 0.372 1.00 15.00 H new