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 251 HIS :FLIP no HD1:sc= 0.64 F(o=-3.2,f=-1.6) USER MOD Set 1.2: B 211 TYR OH : rot -7:sc= -2.21! USER MOD Set 2.1: A 250 ASN : amide:sc= 0.492 K(o=0.47,f=-8.6!) USER MOD Set 2.2: A 253 ASN : amide:sc= -0.0184 X(o=0.47,f=0.51) USER MOD Single : A 238 GLN : amide:sc= -1.68 K(o=-1.7,f=-3.4) USER MOD Single : A 240 MET CE :methyl -162:sc= -0.162 (180deg=-0.736) USER MOD Single : A 241 THR OG1 : rot 180:sc= 0 USER MOD Single : A 242 GLN : amide:sc= 0 K(o=0,f=-0.89) USER MOD Single : A 247 TYR OH : rot 180:sc= -0.106 USER MOD Single : A 248 TYR OH : rot -30:sc= -1.74! USER MOD Single : A 252 LYS NZ :NH3+ -171:sc= 0.399 (180deg=0.303) USER MOD Single : A 254 LYS NZ :NH3+ -162:sc= -0.0823 (180deg=-0.546) USER MOD Single : A 255 THR OG1 : rot 180:sc= 0 USER MOD Single : A 256 THR OG1 : rot -160:sc=0.000869 USER MOD Single : A 257 SER OG : rot 143:sc= 0.343 USER MOD Single : B 206 SER OG : rot 28:sc= 0.0746 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 9.200 -1.551 -5.643 1.00 15.00 N ATOM 2 CA GLY A 230 10.552 -2.159 -5.599 1.00 15.00 C ATOM 3 C GLY A 230 10.975 -2.505 -4.186 1.00 15.00 C ATOM 4 O GLY A 230 10.275 -3.243 -3.494 1.00 15.00 O ATOM 0 HA2 GLY A 230 10.564 -3.060 -6.212 1.00 15.00 H new ATOM 0 HA3 GLY A 230 11.274 -1.468 -6.034 1.00 15.00 H new ATOM 10 N PRO A 231 12.133 -2.005 -3.735 1.00 15.00 N ATOM 11 CA PRO A 231 12.581 -2.185 -2.361 1.00 15.00 C ATOM 12 C PRO A 231 11.979 -1.136 -1.427 1.00 15.00 C ATOM 13 O PRO A 231 12.302 0.050 -1.513 1.00 15.00 O ATOM 14 CB PRO A 231 14.095 -2.027 -2.462 1.00 15.00 C ATOM 15 CG PRO A 231 14.325 -1.139 -3.643 1.00 15.00 C ATOM 16 CD PRO A 231 13.107 -1.242 -4.533 1.00 15.00 C ATOM 0 HA PRO A 231 12.276 -3.144 -1.943 1.00 15.00 H new ATOM 0 HB2 PRO A 231 14.505 -1.586 -1.553 1.00 15.00 H new ATOM 0 HB3 PRO A 231 14.582 -2.993 -2.596 1.00 15.00 H new ATOM 0 HG2 PRO A 231 14.480 -0.109 -3.323 1.00 15.00 H new ATOM 0 HG3 PRO A 231 15.221 -1.444 -4.183 1.00 15.00 H new ATOM 0 HD2 PRO A 231 12.721 -0.257 -4.794 1.00 15.00 H new ATOM 0 HD3 PRO A 231 13.340 -1.751 -5.468 1.00 15.00 H new ATOM 24 N LEU A 232 11.085 -1.578 -0.555 1.00 15.00 N ATOM 25 CA LEU A 232 10.364 -0.674 0.326 1.00 15.00 C ATOM 26 C LEU A 232 11.000 -0.587 1.706 1.00 15.00 C ATOM 27 O LEU A 232 11.775 -1.462 2.091 1.00 15.00 O ATOM 28 CB LEU A 232 8.873 -1.012 0.477 1.00 15.00 C ATOM 29 CG LEU A 232 7.988 -0.607 -0.693 1.00 15.00 C ATOM 30 CD1 LEU A 232 8.225 0.834 -1.094 1.00 15.00 C ATOM 31 CD2 LEU A 232 8.184 -1.527 -1.880 1.00 15.00 C ATOM 0 H LEU A 232 10.841 -2.562 -0.439 1.00 15.00 H new ATOM 0 HA LEU A 232 10.434 0.296 -0.167 1.00 15.00 H new ATOM 0 HB2 LEU A 232 8.776 -2.087 0.629 1.00 15.00 H new ATOM 0 HB3 LEU A 232 8.498 -0.528 1.379 1.00 15.00 H new ATOM 0 HG LEU A 232 6.954 -0.700 -0.360 1.00 15.00 H new ATOM 0 HD11 LEU A 232 7.577 1.090 -1.932 1.00 15.00 H new ATOM 0 HD12 LEU A 232 8.003 1.488 -0.251 1.00 15.00 H new ATOM 0 HD13 LEU A 232 9.267 0.963 -1.388 1.00 15.00 H new ATOM 0 HD21 LEU A 232 7.537 -1.209 -2.697 1.00 15.00 H new ATOM 0 HD22 LEU A 232 9.224 -1.487 -2.204 1.00 15.00 H new ATOM 0 HD23 LEU A 232 7.932 -2.548 -1.594 1.00 15.00 H new ATOM 43 N PRO A 233 10.678 0.480 2.473 1.00 15.00 N ATOM 44 CA PRO A 233 11.191 0.693 3.846 1.00 15.00 C ATOM 45 C PRO A 233 10.828 -0.443 4.808 1.00 15.00 C ATOM 46 O PRO A 233 11.264 -0.443 5.962 1.00 15.00 O ATOM 47 CB PRO A 233 10.465 1.978 4.266 1.00 15.00 C ATOM 48 CG PRO A 233 10.280 2.693 2.987 1.00 15.00 C ATOM 49 CD PRO A 233 9.804 1.616 2.077 1.00 15.00 C ATOM 0 HA PRO A 233 12.280 0.742 3.872 1.00 15.00 H new ATOM 0 HB2 PRO A 233 9.512 1.763 4.749 1.00 15.00 H new ATOM 0 HB3 PRO A 233 11.055 2.562 4.972 1.00 15.00 H new ATOM 0 HG2 PRO A 233 9.552 3.500 3.075 1.00 15.00 H new ATOM 0 HG3 PRO A 233 11.210 3.140 2.634 1.00 15.00 H new ATOM 0 HD2 PRO A 233 8.748 1.391 2.226 1.00 15.00 H new ATOM 0 HD3 PRO A 233 9.929 1.882 1.027 1.00 15.00 H new ATOM 57 N ASP A 234 9.959 -1.347 4.340 1.00 15.00 N ATOM 58 CA ASP A 234 9.472 -2.500 5.114 1.00 15.00 C ATOM 59 C ASP A 234 8.321 -2.094 6.001 1.00 15.00 C ATOM 60 O ASP A 234 7.840 -2.869 6.828 1.00 15.00 O ATOM 61 CB ASP A 234 10.579 -3.158 5.947 1.00 15.00 C ATOM 62 CG ASP A 234 11.304 -4.253 5.198 1.00 15.00 C ATOM 63 OD1 ASP A 234 11.908 -3.965 4.144 1.00 15.00 O ATOM 64 OD2 ASP A 234 11.274 -5.409 5.669 1.00 15.00 O1- ATOM 0 H ASP A 234 9.567 -1.299 3.399 1.00 15.00 H new ATOM 0 HA ASP A 234 9.127 -3.242 4.394 1.00 15.00 H new ATOM 0 HB2 ASP A 234 11.297 -2.397 6.254 1.00 15.00 H new ATOM 0 HB3 ASP A 234 10.145 -3.573 6.857 1.00 15.00 H new ATOM 69 N GLY A 235 7.846 -0.886 5.782 1.00 15.00 N ATOM 70 CA GLY A 235 6.647 -0.447 6.438 1.00 15.00 C ATOM 71 C GLY A 235 5.428 -0.885 5.668 1.00 15.00 C ATOM 72 O GLY A 235 4.406 -1.218 6.250 1.00 15.00 O ATOM 0 H GLY A 235 8.272 -0.200 5.159 1.00 15.00 H new ATOM 0 HA2 GLY A 235 6.610 -0.853 7.449 1.00 15.00 H new ATOM 0 HA3 GLY A 235 6.654 0.639 6.531 1.00 15.00 H new ATOM 76 N TRP A 236 5.565 -0.934 4.351 1.00 15.00 N ATOM 77 CA TRP A 236 4.440 -1.191 3.470 1.00 15.00 C ATOM 78 C TRP A 236 4.736 -2.138 2.318 1.00 15.00 C ATOM 79 O TRP A 236 5.856 -2.210 1.806 1.00 15.00 O ATOM 80 CB TRP A 236 3.819 0.114 2.968 1.00 15.00 C ATOM 81 CG TRP A 236 4.744 1.296 2.842 1.00 15.00 C ATOM 82 CD1 TRP A 236 6.090 1.321 2.590 1.00 15.00 C ATOM 83 CD2 TRP A 236 4.344 2.660 2.997 1.00 15.00 C ATOM 84 NE1 TRP A 236 6.538 2.618 2.599 1.00 15.00 N ATOM 85 CE2 TRP A 236 5.486 3.455 2.843 1.00 15.00 C ATOM 86 CE3 TRP A 236 3.119 3.282 3.256 1.00 15.00 C ATOM 87 CZ2 TRP A 236 5.444 4.843 2.943 1.00 15.00 C ATOM 88 CZ3 TRP A 236 3.078 4.659 3.352 1.00 15.00 C ATOM 89 CH2 TRP A 236 4.236 5.426 3.197 1.00 15.00 C ATOM 0 H TRP A 236 6.453 -0.798 3.868 1.00 15.00 H new ATOM 0 HA TRP A 236 3.712 -1.717 4.088 1.00 15.00 H new ATOM 0 HB2 TRP A 236 3.372 -0.075 1.992 1.00 15.00 H new ATOM 0 HB3 TRP A 236 3.007 0.387 3.643 1.00 15.00 H new ATOM 0 HD1 TRP A 236 6.705 0.452 2.411 1.00 15.00 H new ATOM 0 HE1 TRP A 236 7.503 2.911 2.448 1.00 15.00 H new ATOM 0 HE3 TRP A 236 2.220 2.696 3.379 1.00 15.00 H new ATOM 0 HZ2 TRP A 236 6.337 5.438 2.824 1.00 15.00 H new ATOM 0 HZ3 TRP A 236 2.137 5.151 3.550 1.00 15.00 H new ATOM 0 HH2 TRP A 236 4.174 6.501 3.280 1.00 15.00 H new ATOM 100 N GLU A 237 3.681 -2.847 1.923 1.00 15.00 N ATOM 101 CA GLU A 237 3.723 -3.862 0.880 1.00 15.00 C ATOM 102 C GLU A 237 2.762 -3.445 -0.237 1.00 15.00 C ATOM 103 O GLU A 237 1.707 -2.866 0.045 1.00 15.00 O ATOM 104 CB GLU A 237 3.281 -5.196 1.500 1.00 15.00 C ATOM 105 CG GLU A 237 3.896 -6.433 0.871 1.00 15.00 C ATOM 106 CD GLU A 237 3.419 -6.698 -0.540 1.00 15.00 C ATOM 107 OE1 GLU A 237 2.277 -7.175 -0.703 1.00 15.00 O1- ATOM 108 OE2 GLU A 237 4.187 -6.435 -1.491 1.00 15.00 O ATOM 0 H GLU A 237 2.754 -2.727 2.330 1.00 15.00 H new ATOM 0 HA GLU A 237 4.725 -3.969 0.465 1.00 15.00 H new ATOM 0 HB2 GLU A 237 3.529 -5.185 2.561 1.00 15.00 H new ATOM 0 HB3 GLU A 237 2.196 -5.271 1.427 1.00 15.00 H new ATOM 0 HG2 GLU A 237 4.981 -6.326 0.864 1.00 15.00 H new ATOM 0 HG3 GLU A 237 3.665 -7.299 1.492 1.00 15.00 H new ATOM 115 N GLN A 238 3.097 -3.754 -1.485 1.00 15.00 N ATOM 116 CA GLN A 238 2.279 -3.328 -2.615 1.00 15.00 C ATOM 117 C GLN A 238 1.209 -4.377 -2.937 1.00 15.00 C ATOM 118 O GLN A 238 1.499 -5.405 -3.551 1.00 15.00 O ATOM 119 CB GLN A 238 3.142 -3.072 -3.861 1.00 15.00 C ATOM 120 CG GLN A 238 2.335 -2.690 -5.094 1.00 15.00 C ATOM 121 CD GLN A 238 2.035 -1.209 -5.167 1.00 15.00 C ATOM 122 OE1 GLN A 238 2.783 -0.449 -5.777 1.00 15.00 O ATOM 123 NE2 GLN A 238 0.954 -0.783 -4.533 1.00 15.00 N ATOM 0 H GLN A 238 3.924 -4.294 -1.739 1.00 15.00 H new ATOM 0 HA GLN A 238 1.791 -2.396 -2.332 1.00 15.00 H new ATOM 0 HB2 GLN A 238 3.854 -2.276 -3.642 1.00 15.00 H new ATOM 0 HB3 GLN A 238 3.723 -3.968 -4.081 1.00 15.00 H new ATOM 0 HG2 GLN A 238 2.883 -2.989 -5.987 1.00 15.00 H new ATOM 0 HG3 GLN A 238 1.397 -3.246 -5.095 1.00 15.00 H new ATOM 0 HE21 GLN A 238 0.358 -1.447 -4.038 1.00 15.00 H new ATOM 0 HE22 GLN A 238 0.717 0.209 -4.540 1.00 15.00 H new ATOM 132 N ALA A 239 -0.017 -4.129 -2.493 1.00 15.00 N ATOM 133 CA ALA A 239 -1.133 -5.012 -2.785 1.00 15.00 C ATOM 134 C ALA A 239 -1.892 -4.507 -4.002 1.00 15.00 C ATOM 135 O ALA A 239 -1.921 -3.305 -4.269 1.00 15.00 O ATOM 136 CB ALA A 239 -2.053 -5.112 -1.578 1.00 15.00 C ATOM 0 H ALA A 239 -0.262 -3.317 -1.926 1.00 15.00 H new ATOM 0 HA ALA A 239 -0.750 -6.008 -3.006 1.00 15.00 H new ATOM 0 HB1 ALA A 239 -2.886 -5.776 -1.809 1.00 15.00 H new ATOM 0 HB2 ALA A 239 -1.497 -5.509 -0.729 1.00 15.00 H new ATOM 0 HB3 ALA A 239 -2.437 -4.122 -1.330 1.00 15.00 H new ATOM 142 N MET A 240 -2.492 -5.416 -4.749 1.00 15.00 N ATOM 143 CA MET A 240 -3.198 -5.048 -5.966 1.00 15.00 C ATOM 144 C MET A 240 -4.692 -5.306 -5.831 1.00 15.00 C ATOM 145 O MET A 240 -5.108 -6.431 -5.561 1.00 15.00 O ATOM 146 CB MET A 240 -2.654 -5.845 -7.156 1.00 15.00 C ATOM 147 CG MET A 240 -1.154 -5.711 -7.358 1.00 15.00 C ATOM 148 SD MET A 240 -0.557 -6.637 -8.786 1.00 15.00 S ATOM 149 CE MET A 240 -1.031 -8.307 -8.336 1.00 15.00 C ATOM 0 H MET A 240 -2.505 -6.413 -4.536 1.00 15.00 H new ATOM 0 HA MET A 240 -3.039 -3.983 -6.134 1.00 15.00 H new ATOM 0 HB2 MET A 240 -2.898 -6.898 -7.017 1.00 15.00 H new ATOM 0 HB3 MET A 240 -3.163 -5.517 -8.062 1.00 15.00 H new ATOM 0 HG2 MET A 240 -0.901 -4.658 -7.482 1.00 15.00 H new ATOM 0 HG3 MET A 240 -0.639 -6.060 -6.463 1.00 15.00 H new ATOM 0 HE1 MET A 240 -0.467 -9.020 -8.937 1.00 15.00 H new ATOM 0 HE2 MET A 240 -0.818 -8.474 -7.280 1.00 15.00 H new ATOM 0 HE3 MET A 240 -2.097 -8.444 -8.517 1.00 15.00 H new ATOM 159 N THR A 241 -5.498 -4.269 -6.014 1.00 15.00 N ATOM 160 CA THR A 241 -6.936 -4.448 -6.060 1.00 15.00 C ATOM 161 C THR A 241 -7.405 -4.473 -7.512 1.00 15.00 C ATOM 162 O THR A 241 -7.008 -3.625 -8.328 1.00 15.00 O ATOM 163 CB THR A 241 -7.708 -3.371 -5.250 1.00 15.00 C ATOM 164 OG1 THR A 241 -9.119 -3.589 -5.348 1.00 15.00 O ATOM 165 CG2 THR A 241 -7.392 -1.965 -5.724 1.00 15.00 C ATOM 0 H THR A 241 -5.182 -3.306 -6.132 1.00 15.00 H new ATOM 0 HA THR A 241 -7.160 -5.403 -5.585 1.00 15.00 H new ATOM 0 HB THR A 241 -7.386 -3.464 -4.213 1.00 15.00 H new ATOM 0 HG1 THR A 241 -9.593 -2.904 -4.831 1.00 15.00 H new ATOM 0 HG21 THR A 241 -7.954 -1.245 -5.129 1.00 15.00 H new ATOM 0 HG22 THR A 241 -6.325 -1.774 -5.611 1.00 15.00 H new ATOM 0 HG23 THR A 241 -7.669 -1.864 -6.773 1.00 15.00 H new ATOM 173 N GLN A 242 -8.244 -5.460 -7.825 1.00 15.00 N ATOM 174 CA GLN A 242 -8.722 -5.698 -9.188 1.00 15.00 C ATOM 175 C GLN A 242 -9.516 -4.502 -9.719 1.00 15.00 C ATOM 176 O GLN A 242 -9.836 -4.436 -10.907 1.00 15.00 O ATOM 177 CB GLN A 242 -9.578 -6.966 -9.232 1.00 15.00 C ATOM 178 CG GLN A 242 -9.967 -7.402 -10.635 1.00 15.00 C ATOM 179 CD GLN A 242 -10.892 -8.600 -10.633 1.00 15.00 C ATOM 180 OE1 GLN A 242 -11.662 -8.802 -9.693 1.00 15.00 O ATOM 181 NE2 GLN A 242 -10.836 -9.393 -11.686 1.00 15.00 N ATOM 0 H GLN A 242 -8.613 -6.119 -7.139 1.00 15.00 H new ATOM 0 HA GLN A 242 -7.852 -5.832 -9.831 1.00 15.00 H new ATOM 0 HB2 GLN A 242 -9.033 -7.777 -8.749 1.00 15.00 H new ATOM 0 HB3 GLN A 242 -10.484 -6.800 -8.650 1.00 15.00 H new ATOM 0 HG2 GLN A 242 -10.453 -6.572 -11.148 1.00 15.00 H new ATOM 0 HG3 GLN A 242 -9.067 -7.643 -11.200 1.00 15.00 H new ATOM 0 HE21 GLN A 242 -10.184 -9.190 -12.443 1.00 15.00 H new ATOM 0 HE22 GLN A 242 -11.445 -10.209 -11.743 1.00 15.00 H new ATOM 190 N ASP A 243 -9.822 -3.558 -8.834 1.00 15.00 N ATOM 191 CA ASP A 243 -10.539 -2.342 -9.210 1.00 15.00 C ATOM 192 C ASP A 243 -9.681 -1.472 -10.139 1.00 15.00 C ATOM 193 O ASP A 243 -10.135 -0.455 -10.657 1.00 15.00 O ATOM 194 CB ASP A 243 -10.941 -1.560 -7.954 1.00 15.00 C ATOM 195 CG ASP A 243 -11.927 -0.445 -8.244 1.00 15.00 C ATOM 196 OD1 ASP A 243 -13.010 -0.732 -8.798 1.00 15.00 O1- ATOM 197 OD2 ASP A 243 -11.628 0.721 -7.910 1.00 15.00 O ATOM 0 H ASP A 243 -9.583 -3.612 -7.844 1.00 15.00 H new ATOM 0 HA ASP A 243 -11.443 -2.623 -9.751 1.00 15.00 H new ATOM 0 HB2 ASP A 243 -11.379 -2.246 -7.229 1.00 15.00 H new ATOM 0 HB3 ASP A 243 -10.048 -1.138 -7.493 1.00 15.00 H new ATOM 202 N GLY A 244 -8.436 -1.891 -10.345 1.00 15.00 N ATOM 203 CA GLY A 244 -7.588 -1.242 -11.329 1.00 15.00 C ATOM 204 C GLY A 244 -6.478 -0.379 -10.745 1.00 15.00 C ATOM 205 O GLY A 244 -5.878 0.412 -11.473 1.00 15.00 O ATOM 0 H GLY A 244 -7.999 -2.668 -9.849 1.00 15.00 H new ATOM 0 HA2 GLY A 244 -7.139 -2.007 -11.962 1.00 15.00 H new ATOM 0 HA3 GLY A 244 -8.211 -0.621 -11.972 1.00 15.00 H new ATOM 209 N GLU A 245 -6.175 -0.530 -9.457 1.00 15.00 N ATOM 210 CA GLU A 245 -5.139 0.281 -8.822 1.00 15.00 C ATOM 211 C GLU A 245 -4.386 -0.522 -7.771 1.00 15.00 C ATOM 212 O GLU A 245 -4.930 -1.441 -7.163 1.00 15.00 O ATOM 213 CB GLU A 245 -5.728 1.552 -8.191 1.00 15.00 C ATOM 214 CG GLU A 245 -6.212 2.580 -9.205 1.00 15.00 C ATOM 215 CD GLU A 245 -6.474 3.943 -8.595 1.00 15.00 C ATOM 216 OE1 GLU A 245 -5.516 4.740 -8.486 1.00 15.00 O1- ATOM 217 OE2 GLU A 245 -7.636 4.234 -8.247 1.00 15.00 O ATOM 0 H GLU A 245 -6.628 -1.201 -8.837 1.00 15.00 H new ATOM 0 HA GLU A 245 -4.439 0.580 -9.602 1.00 15.00 H new ATOM 0 HB2 GLU A 245 -6.561 1.273 -7.546 1.00 15.00 H new ATOM 0 HB3 GLU A 245 -4.973 2.013 -7.554 1.00 15.00 H new ATOM 0 HG2 GLU A 245 -5.468 2.680 -9.995 1.00 15.00 H new ATOM 0 HG3 GLU A 245 -7.127 2.217 -9.673 1.00 15.00 H new ATOM 224 N ILE A 246 -3.126 -0.184 -7.572 1.00 15.00 N ATOM 225 CA ILE A 246 -2.306 -0.849 -6.572 1.00 15.00 C ATOM 226 C ILE A 246 -2.117 0.059 -5.359 1.00 15.00 C ATOM 227 O ILE A 246 -1.969 1.270 -5.504 1.00 15.00 O ATOM 228 CB ILE A 246 -0.938 -1.262 -7.159 1.00 15.00 C ATOM 229 CG1 ILE A 246 -0.156 -0.032 -7.643 1.00 15.00 C ATOM 230 CG2 ILE A 246 -1.136 -2.261 -8.291 1.00 15.00 C ATOM 231 CD1 ILE A 246 1.019 -0.366 -8.540 1.00 15.00 C ATOM 0 H ILE A 246 -2.645 0.550 -8.091 1.00 15.00 H new ATOM 0 HA ILE A 246 -2.821 -1.756 -6.256 1.00 15.00 H new ATOM 0 HB ILE A 246 -0.352 -1.739 -6.374 1.00 15.00 H new ATOM 0 HG12 ILE A 246 -0.835 0.629 -8.181 1.00 15.00 H new ATOM 0 HG13 ILE A 246 0.207 0.520 -6.776 1.00 15.00 H new ATOM 0 HG21 ILE A 246 -0.166 -2.546 -8.698 1.00 15.00 H new ATOM 0 HG22 ILE A 246 -1.644 -3.147 -7.910 1.00 15.00 H new ATOM 0 HG23 ILE A 246 -1.740 -1.806 -9.076 1.00 15.00 H new ATOM 0 HD11 ILE A 246 1.521 0.554 -8.840 1.00 15.00 H new ATOM 0 HD12 ILE A 246 1.720 -1.002 -7.999 1.00 15.00 H new ATOM 0 HD13 ILE A 246 0.662 -0.891 -9.426 1.00 15.00 H new ATOM 243 N TYR A 247 -2.139 -0.522 -4.166 1.00 15.00 N ATOM 244 CA TYR A 247 -2.081 0.257 -2.935 1.00 15.00 C ATOM 245 C TYR A 247 -1.101 -0.367 -1.930 1.00 15.00 C ATOM 246 O TYR A 247 -0.988 -1.589 -1.844 1.00 15.00 O ATOM 247 CB TYR A 247 -3.484 0.364 -2.313 1.00 15.00 C ATOM 248 CG TYR A 247 -4.099 -0.965 -1.908 1.00 15.00 C ATOM 249 CD1 TYR A 247 -4.580 -1.853 -2.864 1.00 15.00 C ATOM 250 CD2 TYR A 247 -4.202 -1.328 -0.570 1.00 15.00 C ATOM 251 CE1 TYR A 247 -5.142 -3.061 -2.499 1.00 15.00 C ATOM 252 CE2 TYR A 247 -4.764 -2.537 -0.199 1.00 15.00 C ATOM 253 CZ TYR A 247 -5.231 -3.399 -1.168 1.00 15.00 C ATOM 254 OH TYR A 247 -5.791 -4.603 -0.804 1.00 15.00 O ATOM 0 H TYR A 247 -2.197 -1.530 -4.024 1.00 15.00 H new ATOM 0 HA TYR A 247 -1.721 1.256 -3.181 1.00 15.00 H new ATOM 0 HB2 TYR A 247 -3.430 1.007 -1.435 1.00 15.00 H new ATOM 0 HB3 TYR A 247 -4.147 0.854 -3.026 1.00 15.00 H new ATOM 0 HD1 TYR A 247 -4.513 -1.594 -3.910 1.00 15.00 H new ATOM 0 HD2 TYR A 247 -3.837 -0.655 0.192 1.00 15.00 H new ATOM 0 HE1 TYR A 247 -5.510 -3.738 -3.256 1.00 15.00 H new ATOM 0 HE2 TYR A 247 -4.836 -2.804 0.845 1.00 15.00 H new ATOM 0 HH TYR A 247 -5.777 -4.689 0.172 1.00 15.00 H new ATOM 264 N TYR A 248 -0.413 0.473 -1.163 1.00 15.00 N ATOM 265 CA TYR A 248 0.534 0.014 -0.157 1.00 15.00 C ATOM 266 C TYR A 248 -0.115 -0.067 1.218 1.00 15.00 C ATOM 267 O TYR A 248 -0.713 0.901 1.693 1.00 15.00 O ATOM 268 CB TYR A 248 1.743 0.955 -0.089 1.00 15.00 C ATOM 269 CG TYR A 248 2.836 0.603 -1.064 1.00 15.00 C ATOM 270 CD1 TYR A 248 2.807 1.054 -2.377 1.00 15.00 C ATOM 271 CD2 TYR A 248 3.898 -0.196 -0.669 1.00 15.00 C ATOM 272 CE1 TYR A 248 3.806 0.710 -3.265 1.00 15.00 C ATOM 273 CE2 TYR A 248 4.895 -0.539 -1.552 1.00 15.00 C ATOM 274 CZ TYR A 248 4.845 -0.087 -2.850 1.00 15.00 C ATOM 275 OH TYR A 248 5.832 -0.444 -3.739 1.00 15.00 O ATOM 0 H TYR A 248 -0.497 1.488 -1.222 1.00 15.00 H new ATOM 0 HA TYR A 248 0.862 -0.983 -0.449 1.00 15.00 H new ATOM 0 HB2 TYR A 248 1.410 1.975 -0.281 1.00 15.00 H new ATOM 0 HB3 TYR A 248 2.150 0.938 0.922 1.00 15.00 H new ATOM 0 HD1 TYR A 248 1.993 1.682 -2.707 1.00 15.00 H new ATOM 0 HD2 TYR A 248 3.943 -0.555 0.349 1.00 15.00 H new ATOM 0 HE1 TYR A 248 3.771 1.067 -4.284 1.00 15.00 H new ATOM 0 HE2 TYR A 248 5.715 -1.162 -1.227 1.00 15.00 H new ATOM 0 HH TYR A 248 5.457 -0.490 -4.643 1.00 15.00 H new ATOM 285 N ILE A 249 0.015 -1.224 1.851 1.00 15.00 N ATOM 286 CA ILE A 249 -0.438 -1.407 3.221 1.00 15.00 C ATOM 287 C ILE A 249 0.730 -1.228 4.194 1.00 15.00 C ATOM 288 O ILE A 249 1.627 -2.072 4.262 1.00 15.00 O ATOM 289 CB ILE A 249 -1.078 -2.803 3.431 1.00 15.00 C ATOM 290 CG1 ILE A 249 -0.269 -3.888 2.710 1.00 15.00 C ATOM 291 CG2 ILE A 249 -2.522 -2.819 2.955 1.00 15.00 C ATOM 292 CD1 ILE A 249 -0.822 -5.285 2.894 1.00 15.00 C ATOM 0 H ILE A 249 0.434 -2.055 1.433 1.00 15.00 H new ATOM 0 HA ILE A 249 -1.198 -0.651 3.417 1.00 15.00 H new ATOM 0 HB ILE A 249 -1.067 -3.015 4.500 1.00 15.00 H new ATOM 0 HG12 ILE A 249 -0.237 -3.657 1.645 1.00 15.00 H new ATOM 0 HG13 ILE A 249 0.759 -3.863 3.073 1.00 15.00 H new ATOM 0 HG21 ILE A 249 -2.947 -3.810 3.114 1.00 15.00 H new ATOM 0 HG22 ILE A 249 -3.098 -2.083 3.516 1.00 15.00 H new ATOM 0 HG23 ILE A 249 -2.558 -2.575 1.893 1.00 15.00 H new ATOM 0 HD11 ILE A 249 -0.197 -5.997 2.355 1.00 15.00 H new ATOM 0 HD12 ILE A 249 -0.828 -5.537 3.954 1.00 15.00 H new ATOM 0 HD13 ILE A 249 -1.839 -5.328 2.505 1.00 15.00 H new ATOM 304 N ASN A 250 0.726 -0.125 4.939 1.00 15.00 N ATOM 305 CA ASN A 250 1.816 0.172 5.867 1.00 15.00 C ATOM 306 C ASN A 250 1.507 -0.437 7.246 1.00 15.00 C ATOM 307 O ASN A 250 0.629 0.064 7.947 1.00 15.00 O ATOM 308 CB ASN A 250 2.014 1.690 6.000 1.00 15.00 C ATOM 309 CG ASN A 250 3.254 2.083 6.798 1.00 15.00 C ATOM 310 OD1 ASN A 250 3.692 1.375 7.708 1.00 15.00 O ATOM 311 ND2 ASN A 250 3.821 3.235 6.468 1.00 15.00 N ATOM 0 H ASN A 250 -0.016 0.575 4.919 1.00 15.00 H new ATOM 0 HA ASN A 250 2.735 -0.265 5.476 1.00 15.00 H new ATOM 0 HB2 ASN A 250 2.081 2.127 5.004 1.00 15.00 H new ATOM 0 HB3 ASN A 250 1.134 2.121 6.478 1.00 15.00 H new ATOM 0 HD21 ASN A 250 4.646 3.560 6.972 1.00 15.00 H new ATOM 0 HD22 ASN A 250 3.433 3.796 5.710 1.00 15.00 H new ATOM 318 N HIS A 251 2.211 -1.516 7.635 1.00 15.00 N ATOM 319 CA HIS A 251 1.921 -2.217 8.877 1.00 15.00 C ATOM 320 C HIS A 251 2.563 -1.515 10.065 1.00 15.00 C ATOM 321 O HIS A 251 2.167 -1.727 11.212 1.00 15.00 O ATOM 322 CB HIS A 251 2.432 -3.662 8.816 1.00 15.00 C ATOM 323 CG HIS A 251 1.905 -4.467 7.665 1.00 15.00 C ATOM 324 ND1 HIS A 251 0.707 -5.068 7.477 1.00 15.00 N flip ATOM 325 CD2 HIS A 251 2.653 -4.753 6.542 1.00 15.00 C flip ATOM 326 CE1 HIS A 251 0.753 -5.699 6.259 1.00 15.00 C flip ATOM 327 NE2 HIS A 251 1.938 -5.491 5.717 1.00 15.00 N flip ATOM 0 H HIS A 251 2.983 -1.913 7.100 1.00 15.00 H new ATOM 0 HA HIS A 251 0.839 -2.218 9.005 1.00 15.00 H new ATOM 0 HB2 HIS A 251 3.521 -3.646 8.762 1.00 15.00 H new ATOM 0 HB3 HIS A 251 2.167 -4.166 9.745 1.00 15.00 H new ATOM 0 HD2 HIS A 251 3.666 -4.424 6.366 1.00 15.00 H new ATOM 0 HE1 HIS A 251 -0.049 -6.272 5.817 1.00 15.00 H new ATOM 0 HE2 HIS A 251 2.249 -5.843 4.811 1.00 15.00 H new ATOM 336 N LYS A 252 3.566 -0.689 9.793 1.00 15.00 N ATOM 337 CA LYS A 252 4.311 -0.031 10.859 1.00 15.00 C ATOM 338 C LYS A 252 3.578 1.205 11.365 1.00 15.00 C ATOM 339 O LYS A 252 3.683 1.562 12.537 1.00 15.00 O ATOM 340 CB LYS A 252 5.716 0.364 10.394 1.00 15.00 C ATOM 341 CG LYS A 252 6.610 -0.810 10.023 1.00 15.00 C ATOM 342 CD LYS A 252 6.762 -1.793 11.175 1.00 15.00 C ATOM 343 CE LYS A 252 7.901 -2.777 10.931 1.00 15.00 C ATOM 344 NZ LYS A 252 7.805 -3.439 9.603 1.00 15.00 N1+ ATOM 0 H LYS A 252 3.881 -0.460 8.850 1.00 15.00 H new ATOM 0 HA LYS A 252 4.398 -0.748 11.675 1.00 15.00 H new ATOM 0 HB2 LYS A 252 5.627 1.024 9.531 1.00 15.00 H new ATOM 0 HB3 LYS A 252 6.199 0.937 11.185 1.00 15.00 H new ATOM 0 HG2 LYS A 252 6.192 -1.326 9.158 1.00 15.00 H new ATOM 0 HG3 LYS A 252 7.592 -0.440 9.729 1.00 15.00 H new ATOM 0 HD2 LYS A 252 6.946 -1.245 12.099 1.00 15.00 H new ATOM 0 HD3 LYS A 252 5.830 -2.342 11.310 1.00 15.00 H new ATOM 0 HE2 LYS A 252 8.853 -2.251 11.004 1.00 15.00 H new ATOM 0 HE3 LYS A 252 7.895 -3.536 11.713 1.00 15.00 H new ATOM 0 HZ1 LYS A 252 8.507 -4.204 9.545 1.00 15.00 H new ATOM 0 HZ2 LYS A 252 6.851 -3.835 9.480 1.00 15.00 H new ATOM 0 HZ3 LYS A 252 7.990 -2.742 8.854 1.00 15.00 H new ATOM 358 N ASN A 253 2.863 1.874 10.474 1.00 15.00 N ATOM 359 CA ASN A 253 2.161 3.100 10.839 1.00 15.00 C ATOM 360 C ASN A 253 0.654 2.972 10.652 1.00 15.00 C ATOM 361 O ASN A 253 -0.094 3.878 11.026 1.00 15.00 O ATOM 362 CB ASN A 253 2.681 4.285 10.022 1.00 15.00 C ATOM 363 CG ASN A 253 4.115 4.647 10.353 1.00 15.00 C ATOM 364 OD1 ASN A 253 4.374 5.455 11.245 1.00 15.00 O ATOM 365 ND2 ASN A 253 5.058 4.048 9.643 1.00 15.00 N ATOM 0 H ASN A 253 2.752 1.594 9.500 1.00 15.00 H new ATOM 0 HA ASN A 253 2.357 3.275 11.897 1.00 15.00 H new ATOM 0 HB2 ASN A 253 2.607 4.048 8.961 1.00 15.00 H new ATOM 0 HB3 ASN A 253 2.043 5.150 10.200 1.00 15.00 H new ATOM 0 HD21 ASN A 253 6.041 4.250 9.827 1.00 15.00 H new ATOM 0 HD22 ASN A 253 4.802 3.384 8.912 1.00 15.00 H new ATOM 372 N LYS A 254 0.210 1.851 10.079 1.00 15.00 N ATOM 373 CA LYS A 254 -1.210 1.623 9.816 1.00 15.00 C ATOM 374 C LYS A 254 -1.753 2.713 8.878 1.00 15.00 C ATOM 375 O LYS A 254 -2.820 3.286 9.095 1.00 15.00 O ATOM 376 CB LYS A 254 -1.987 1.570 11.146 1.00 15.00 C ATOM 377 CG LYS A 254 -3.463 1.234 11.001 1.00 15.00 C ATOM 378 CD LYS A 254 -4.122 1.023 12.348 1.00 15.00 C ATOM 379 CE LYS A 254 -5.629 0.934 12.216 1.00 15.00 C ATOM 380 NZ LYS A 254 -6.209 2.192 11.673 1.00 15.00 N1+ ATOM 0 H LYS A 254 0.817 1.085 9.788 1.00 15.00 H new ATOM 0 HA LYS A 254 -1.342 0.663 9.316 1.00 15.00 H new ATOM 0 HB2 LYS A 254 -1.521 0.829 11.795 1.00 15.00 H new ATOM 0 HB3 LYS A 254 -1.894 2.535 11.645 1.00 15.00 H new ATOM 0 HG2 LYS A 254 -3.970 2.040 10.470 1.00 15.00 H new ATOM 0 HG3 LYS A 254 -3.574 0.334 10.396 1.00 15.00 H new ATOM 0 HD2 LYS A 254 -3.740 0.109 12.803 1.00 15.00 H new ATOM 0 HD3 LYS A 254 -3.861 1.844 13.015 1.00 15.00 H new ATOM 0 HE2 LYS A 254 -5.888 0.102 11.562 1.00 15.00 H new ATOM 0 HE3 LYS A 254 -6.068 0.722 13.191 1.00 15.00 H new ATOM 0 HZ1 LYS A 254 -7.229 2.220 11.876 1.00 15.00 H new ATOM 0 HZ2 LYS A 254 -5.745 3.009 12.118 1.00 15.00 H new ATOM 0 HZ3 LYS A 254 -6.060 2.227 10.644 1.00 15.00 H new ATOM 394 N THR A 255 -1.011 2.963 7.809 1.00 15.00 N ATOM 395 CA THR A 255 -1.332 4.030 6.869 1.00 15.00 C ATOM 396 C THR A 255 -1.369 3.508 5.431 1.00 15.00 C ATOM 397 O THR A 255 -0.696 2.527 5.109 1.00 15.00 O ATOM 398 CB THR A 255 -0.319 5.187 6.972 1.00 15.00 C ATOM 399 OG1 THR A 255 1.017 4.668 7.004 1.00 15.00 O ATOM 400 CG2 THR A 255 -0.573 6.026 8.215 1.00 15.00 C ATOM 0 H THR A 255 -0.172 2.435 7.568 1.00 15.00 H new ATOM 0 HA THR A 255 -2.321 4.404 7.133 1.00 15.00 H new ATOM 0 HB THR A 255 -0.441 5.823 6.096 1.00 15.00 H new ATOM 0 HG1 THR A 255 1.655 5.410 7.068 1.00 15.00 H new ATOM 0 HG21 THR A 255 0.156 6.835 8.263 1.00 15.00 H new ATOM 0 HG22 THR A 255 -1.578 6.445 8.172 1.00 15.00 H new ATOM 0 HG23 THR A 255 -0.479 5.400 9.102 1.00 15.00 H new ATOM 408 N THR A 256 -2.185 4.121 4.579 1.00 15.00 N ATOM 409 CA THR A 256 -2.279 3.690 3.189 1.00 15.00 C ATOM 410 C THR A 256 -1.712 4.749 2.239 1.00 15.00 C ATOM 411 O THR A 256 -1.934 5.947 2.419 1.00 15.00 O ATOM 412 CB THR A 256 -3.737 3.390 2.792 1.00 15.00 C ATOM 413 OG1 THR A 256 -4.460 2.883 3.925 1.00 15.00 O ATOM 414 CG2 THR A 256 -3.782 2.364 1.670 1.00 15.00 C ATOM 0 H THR A 256 -2.785 4.909 4.823 1.00 15.00 H new ATOM 0 HA THR A 256 -1.689 2.777 3.102 1.00 15.00 H new ATOM 0 HB THR A 256 -4.197 4.317 2.448 1.00 15.00 H new ATOM 0 HG1 THR A 256 -5.259 2.407 3.617 1.00 15.00 H new ATOM 0 HG21 THR A 256 -4.819 2.163 1.402 1.00 15.00 H new ATOM 0 HG22 THR A 256 -3.251 2.752 0.801 1.00 15.00 H new ATOM 0 HG23 THR A 256 -3.308 1.440 2.002 1.00 15.00 H new ATOM 422 N SER A 257 -0.962 4.295 1.243 1.00 15.00 N ATOM 423 CA SER A 257 -0.432 5.166 0.198 1.00 15.00 C ATOM 424 C SER A 257 -0.365 4.392 -1.114 1.00 15.00 C ATOM 425 O SER A 257 -0.012 3.225 -1.113 1.00 15.00 O ATOM 426 CB SER A 257 0.957 5.675 0.592 1.00 15.00 C ATOM 427 OG SER A 257 0.905 6.397 1.811 1.00 15.00 O ATOM 0 H SER A 257 -0.703 3.314 1.135 1.00 15.00 H new ATOM 0 HA SER A 257 -1.088 6.027 0.072 1.00 15.00 H new ATOM 0 HB2 SER A 257 1.642 4.833 0.692 1.00 15.00 H new ATOM 0 HB3 SER A 257 1.352 6.315 -0.197 1.00 15.00 H new ATOM 0 HG SER A 257 1.710 6.208 2.338 1.00 15.00 H new ATOM 433 N TRP A 258 -0.685 5.043 -2.221 1.00 15.00 N ATOM 434 CA TRP A 258 -0.818 4.362 -3.510 1.00 15.00 C ATOM 435 C TRP A 258 0.487 3.709 -3.989 1.00 15.00 C ATOM 436 O TRP A 258 0.565 2.487 -4.139 1.00 15.00 O ATOM 437 CB TRP A 258 -1.306 5.341 -4.580 1.00 15.00 C ATOM 438 CG TRP A 258 -2.745 5.746 -4.444 1.00 15.00 C ATOM 439 CD1 TRP A 258 -3.224 6.984 -4.120 1.00 15.00 C ATOM 440 CD2 TRP A 258 -3.892 4.913 -4.644 1.00 15.00 C ATOM 441 NE1 TRP A 258 -4.600 6.971 -4.116 1.00 15.00 N ATOM 442 CE2 TRP A 258 -5.032 5.709 -4.436 1.00 15.00 C ATOM 443 CE3 TRP A 258 -4.065 3.569 -4.985 1.00 15.00 C ATOM 444 CZ2 TRP A 258 -6.325 5.205 -4.559 1.00 15.00 C ATOM 445 CZ3 TRP A 258 -5.347 3.071 -5.103 1.00 15.00 C ATOM 446 CH2 TRP A 258 -6.462 3.888 -4.895 1.00 15.00 C ATOM 0 H TRP A 258 -0.859 6.047 -2.258 1.00 15.00 H new ATOM 0 HA TRP A 258 -1.546 3.566 -3.357 1.00 15.00 H new ATOM 0 HB2 TRP A 258 -0.685 6.236 -4.546 1.00 15.00 H new ATOM 0 HB3 TRP A 258 -1.160 4.889 -5.561 1.00 15.00 H new ATOM 0 HD1 TRP A 258 -2.612 7.846 -3.899 1.00 15.00 H new ATOM 0 HE1 TRP A 258 -5.200 7.769 -3.909 1.00 15.00 H new ATOM 0 HE3 TRP A 258 -3.210 2.931 -5.153 1.00 15.00 H new ATOM 0 HZ2 TRP A 258 -7.188 5.833 -4.395 1.00 15.00 H new ATOM 0 HZ3 TRP A 258 -5.491 2.032 -5.361 1.00 15.00 H new ATOM 0 HH2 TRP A 258 -7.452 3.470 -5.002 1.00 15.00 H new ATOM 457 N LEU A 259 1.504 4.528 -4.221 1.00 15.00 N ATOM 458 CA LEU A 259 2.683 4.094 -4.966 1.00 15.00 C ATOM 459 C LEU A 259 3.983 4.190 -4.178 1.00 15.00 C ATOM 460 O LEU A 259 4.079 4.902 -3.179 1.00 15.00 O ATOM 461 CB LEU A 259 2.795 4.832 -6.295 1.00 15.00 C ATOM 462 CG LEU A 259 2.038 4.162 -7.444 1.00 15.00 C ATOM 463 CD1 LEU A 259 2.266 4.909 -8.750 1.00 15.00 C ATOM 464 CD2 LEU A 259 2.468 2.702 -7.573 1.00 15.00 C ATOM 0 H LEU A 259 1.538 5.497 -3.905 1.00 15.00 H new ATOM 0 HA LEU A 259 2.532 3.032 -5.162 1.00 15.00 H new ATOM 0 HB2 LEU A 259 2.418 5.847 -6.168 1.00 15.00 H new ATOM 0 HB3 LEU A 259 3.848 4.914 -6.566 1.00 15.00 H new ATOM 0 HG LEU A 259 0.971 4.193 -7.223 1.00 15.00 H new ATOM 0 HD11 LEU A 259 1.718 4.415 -9.552 1.00 15.00 H new ATOM 0 HD12 LEU A 259 1.913 5.935 -8.649 1.00 15.00 H new ATOM 0 HD13 LEU A 259 3.330 4.913 -8.986 1.00 15.00 H new ATOM 0 HD21 LEU A 259 1.924 2.234 -8.393 1.00 15.00 H new ATOM 0 HD22 LEU A 259 3.538 2.654 -7.773 1.00 15.00 H new ATOM 0 HD23 LEU A 259 2.249 2.175 -6.644 1.00 15.00 H new ATOM 476 N ASP A 260 4.974 3.446 -4.672 1.00 15.00 N ATOM 477 CA ASP A 260 6.249 3.222 -3.992 1.00 15.00 C ATOM 478 C ASP A 260 6.980 4.541 -3.729 1.00 15.00 C ATOM 479 O ASP A 260 7.312 5.286 -4.656 1.00 15.00 O ATOM 480 CB ASP A 260 7.115 2.312 -4.878 1.00 15.00 C ATOM 481 CG ASP A 260 8.418 1.879 -4.229 1.00 15.00 C ATOM 482 OD1 ASP A 260 9.082 2.716 -3.592 1.00 15.00 O1- ATOM 483 OD2 ASP A 260 8.778 0.690 -4.362 1.00 15.00 O ATOM 0 H ASP A 260 4.911 2.973 -5.574 1.00 15.00 H new ATOM 0 HA ASP A 260 6.061 2.752 -3.026 1.00 15.00 H new ATOM 0 HB2 ASP A 260 6.540 1.425 -5.142 1.00 15.00 H new ATOM 0 HB3 ASP A 260 7.340 2.834 -5.808 1.00 15.00 H new ATOM 488 N PRO A 261 7.220 4.836 -2.444 1.00 15.00 N ATOM 489 CA PRO A 261 7.844 6.079 -1.999 1.00 15.00 C ATOM 490 C PRO A 261 9.371 6.098 -2.128 1.00 15.00 C ATOM 491 O PRO A 261 9.994 7.147 -1.955 1.00 15.00 O ATOM 492 CB PRO A 261 7.430 6.151 -0.531 1.00 15.00 C ATOM 493 CG PRO A 261 7.323 4.731 -0.096 1.00 15.00 C ATOM 494 CD PRO A 261 6.897 3.948 -1.310 1.00 15.00 C ATOM 0 HA PRO A 261 7.526 6.924 -2.610 1.00 15.00 H new ATOM 0 HB2 PRO A 261 8.168 6.692 0.062 1.00 15.00 H new ATOM 0 HB3 PRO A 261 6.481 6.674 -0.413 1.00 15.00 H new ATOM 0 HG2 PRO A 261 8.277 4.368 0.285 1.00 15.00 H new ATOM 0 HG3 PRO A 261 6.597 4.625 0.710 1.00 15.00 H new ATOM 0 HD2 PRO A 261 7.432 3.001 -1.381 1.00 15.00 H new ATOM 0 HD3 PRO A 261 5.833 3.712 -1.279 1.00 15.00 H new ATOM 502 N ARG A 262 9.976 4.951 -2.419 1.00 15.00 N ATOM 503 CA ARG A 262 11.433 4.848 -2.399 1.00 15.00 C ATOM 504 C ARG A 262 12.031 5.420 -3.682 1.00 15.00 C ATOM 505 O ARG A 262 13.245 5.589 -3.791 1.00 15.00 O ATOM 506 CB ARG A 262 11.885 3.392 -2.153 1.00 15.00 C ATOM 507 CG ARG A 262 12.051 2.530 -3.402 1.00 15.00 C ATOM 508 CD ARG A 262 13.462 2.622 -3.965 1.00 15.00 C ATOM 509 NE ARG A 262 14.479 2.256 -2.977 1.00 15.00 N ATOM 510 CZ ARG A 262 15.490 3.051 -2.619 1.00 15.00 C ATOM 511 NH1 ARG A 262 15.568 4.286 -3.097 1.00 15.00 N1+ ATOM 512 NH2 ARG A 262 16.407 2.625 -1.760 1.00 15.00 N ATOM 0 H ARG A 262 9.489 4.090 -2.668 1.00 15.00 H new ATOM 0 HA ARG A 262 11.808 5.444 -1.567 1.00 15.00 H new ATOM 0 HB2 ARG A 262 12.835 3.411 -1.619 1.00 15.00 H new ATOM 0 HB3 ARG A 262 11.159 2.912 -1.496 1.00 15.00 H new ATOM 0 HG2 ARG A 262 11.822 1.492 -3.161 1.00 15.00 H new ATOM 0 HG3 ARG A 262 11.335 2.846 -4.161 1.00 15.00 H new ATOM 0 HD2 ARG A 262 13.548 1.967 -4.832 1.00 15.00 H new ATOM 0 HD3 ARG A 262 13.646 3.638 -4.314 1.00 15.00 H new ATOM 0 HE ARG A 262 14.411 1.339 -2.536 1.00 15.00 H new ATOM 0 HH11 ARG A 262 14.855 4.630 -3.740 1.00 15.00 H new ATOM 0 HH12 ARG A 262 16.341 4.891 -2.822 1.00 15.00 H new ATOM 0 HH21 ARG A 262 16.342 1.685 -1.369 1.00 15.00 H new ATOM 0 HH22 ARG A 262 17.177 3.237 -1.491 1.00 15.00 H new ATOM 526 N LEU A 263 11.181 5.707 -4.655 1.00 15.00 N ATOM 527 CA LEU A 263 11.636 6.310 -5.901 1.00 15.00 C ATOM 528 C LEU A 263 12.020 7.773 -5.697 1.00 15.00 C ATOM 529 O LEU A 263 12.640 8.383 -6.567 1.00 15.00 O ATOM 530 CB LEU A 263 10.567 6.203 -6.998 1.00 15.00 C ATOM 531 CG LEU A 263 10.470 4.845 -7.709 1.00 15.00 C ATOM 532 CD1 LEU A 263 11.827 4.432 -8.260 1.00 15.00 C ATOM 533 CD2 LEU A 263 9.924 3.774 -6.776 1.00 15.00 C ATOM 0 H LEU A 263 10.177 5.534 -4.608 1.00 15.00 H new ATOM 0 HA LEU A 263 12.519 5.756 -6.221 1.00 15.00 H new ATOM 0 HB2 LEU A 263 9.597 6.430 -6.556 1.00 15.00 H new ATOM 0 HB3 LEU A 263 10.764 6.970 -7.747 1.00 15.00 H new ATOM 0 HG LEU A 263 9.775 4.951 -8.542 1.00 15.00 H new ATOM 0 HD11 LEU A 263 11.738 3.468 -8.760 1.00 15.00 H new ATOM 0 HD12 LEU A 263 12.173 5.180 -8.973 1.00 15.00 H new ATOM 0 HD13 LEU A 263 12.543 4.352 -7.442 1.00 15.00 H new ATOM 0 HD21 LEU A 263 9.867 2.824 -7.307 1.00 15.00 H new ATOM 0 HD22 LEU A 263 10.585 3.670 -5.916 1.00 15.00 H new ATOM 0 HD23 LEU A 263 8.929 4.060 -6.436 1.00 15.00 H new ATOM 545 N ASP A 264 11.624 8.346 -4.563 1.00 15.00 N ATOM 546 CA ASP A 264 11.973 9.736 -4.266 1.00 15.00 C ATOM 547 C ASP A 264 13.481 9.943 -4.023 1.00 15.00 C ATOM 548 O ASP A 264 14.080 10.846 -4.607 1.00 15.00 O ATOM 549 CB ASP A 264 11.150 10.273 -3.087 1.00 15.00 C ATOM 550 CG ASP A 264 11.481 11.716 -2.760 1.00 15.00 C ATOM 551 OD1 ASP A 264 11.138 12.607 -3.565 1.00 15.00 O1- ATOM 552 OD2 ASP A 264 12.086 11.968 -1.694 1.00 15.00 O ATOM 0 H ASP A 264 11.070 7.880 -3.844 1.00 15.00 H new ATOM 0 HA ASP A 264 11.722 10.310 -5.158 1.00 15.00 H new ATOM 0 HB2 ASP A 264 10.089 10.191 -3.321 1.00 15.00 H new ATOM 0 HB3 ASP A 264 11.332 9.654 -2.209 1.00 15.00 H new ATOM 557 N PRO A 265 14.104 9.137 -3.148 1.00 15.00 N ATOM 558 CA PRO A 265 15.564 9.088 -3.010 1.00 15.00 C ATOM 559 C PRO A 265 16.225 8.357 -4.180 1.00 15.00 C ATOM 560 O PRO A 265 16.510 9.007 -5.206 1.00 15.00 O ATOM 561 CB PRO A 265 15.770 8.306 -1.711 1.00 15.00 C ATOM 562 CG PRO A 265 14.552 7.455 -1.596 1.00 15.00 C ATOM 563 CD PRO A 265 13.436 8.273 -2.177 1.00 15.00 C ATOM 564 OXT PRO A 265 16.456 7.131 -4.069 1.00 15.00 O ATOM 0 HA PRO A 265 16.010 10.083 -3.000 1.00 15.00 H new ATOM 0 HB2 PRO A 265 16.676 7.701 -1.750 1.00 15.00 H new ATOM 0 HB3 PRO A 265 15.870 8.975 -0.856 1.00 15.00 H new ATOM 0 HG2 PRO A 265 14.675 6.518 -2.139 1.00 15.00 H new ATOM 0 HG3 PRO A 265 14.350 7.197 -0.556 1.00 15.00 H new ATOM 0 HD2 PRO A 265 12.684 7.643 -2.653 1.00 15.00 H new ATOM 0 HD3 PRO A 265 12.925 8.854 -1.410 1.00 15.00 H new ATOM 573 N SER B 206 -7.999 10.685 -5.195 1.00 15.00 N ATOM 574 CA SER B 206 -8.467 9.316 -4.903 1.00 15.00 C ATOM 575 C SER B 206 -7.887 8.831 -3.577 1.00 15.00 C ATOM 576 O SER B 206 -6.667 8.765 -3.412 1.00 15.00 O ATOM 577 CB SER B 206 -8.052 8.367 -6.027 1.00 15.00 C ATOM 578 OG SER B 206 -8.568 8.792 -7.277 1.00 15.00 O ATOM 0 HA SER B 206 -9.555 9.328 -4.831 1.00 15.00 H new ATOM 0 HB2 SER B 206 -6.964 8.315 -6.079 1.00 15.00 H new ATOM 0 HB3 SER B 206 -8.409 7.361 -5.807 1.00 15.00 H new ATOM 0 HG SER B 206 -8.692 9.764 -7.266 1.00 15.00 H new ATOM 586 N PRO B 207 -8.757 8.503 -2.612 1.00 15.00 N ATOM 587 CA PRO B 207 -8.334 7.983 -1.316 1.00 15.00 C ATOM 588 C PRO B 207 -8.041 6.485 -1.379 1.00 15.00 C ATOM 589 O PRO B 207 -8.860 5.705 -1.871 1.00 15.00 O ATOM 590 CB PRO B 207 -9.543 8.265 -0.425 1.00 15.00 C ATOM 591 CG PRO B 207 -10.716 8.203 -1.342 1.00 15.00 C ATOM 592 CD PRO B 207 -10.225 8.624 -2.704 1.00 15.00 C ATOM 0 HA PRO B 207 -7.412 8.439 -0.957 1.00 15.00 H new ATOM 0 HB2 PRO B 207 -9.626 7.528 0.374 1.00 15.00 H new ATOM 0 HB3 PRO B 207 -9.464 9.243 0.051 1.00 15.00 H new ATOM 0 HG2 PRO B 207 -11.129 7.195 -1.374 1.00 15.00 H new ATOM 0 HG3 PRO B 207 -11.512 8.863 -0.997 1.00 15.00 H new ATOM 0 HD2 PRO B 207 -10.629 7.984 -3.488 1.00 15.00 H new ATOM 0 HD3 PRO B 207 -10.527 9.645 -2.938 1.00 15.00 H new ATOM 600 N PRO B 208 -6.872 6.057 -0.888 1.00 15.00 N ATOM 601 CA PRO B 208 -6.485 4.649 -0.906 1.00 15.00 C ATOM 602 C PRO B 208 -7.328 3.838 0.071 1.00 15.00 C ATOM 603 O PRO B 208 -7.596 4.293 1.187 1.00 15.00 O ATOM 604 CB PRO B 208 -5.010 4.667 -0.473 1.00 15.00 C ATOM 605 CG PRO B 208 -4.596 6.099 -0.523 1.00 15.00 C ATOM 606 CD PRO B 208 -5.840 6.887 -0.260 1.00 15.00 C ATOM 0 HA PRO B 208 -6.632 4.186 -1.882 1.00 15.00 H new ATOM 0 HB2 PRO B 208 -4.891 4.259 0.531 1.00 15.00 H new ATOM 0 HB3 PRO B 208 -4.398 4.058 -1.139 1.00 15.00 H new ATOM 0 HG2 PRO B 208 -3.832 6.312 0.224 1.00 15.00 H new ATOM 0 HG3 PRO B 208 -4.171 6.350 -1.495 1.00 15.00 H new ATOM 0 HD2 PRO B 208 -6.019 7.021 0.807 1.00 15.00 H new ATOM 0 HD3 PRO B 208 -5.793 7.882 -0.703 1.00 15.00 H new ATOM 614 N PRO B 209 -7.755 2.630 -0.338 1.00 15.00 N ATOM 615 CA PRO B 209 -8.601 1.750 0.476 1.00 15.00 C ATOM 616 C PRO B 209 -8.071 1.579 1.895 1.00 15.00 C ATOM 617 O PRO B 209 -6.858 1.495 2.107 1.00 15.00 O ATOM 618 CB PRO B 209 -8.558 0.405 -0.270 1.00 15.00 C ATOM 619 CG PRO B 209 -7.508 0.558 -1.321 1.00 15.00 C ATOM 620 CD PRO B 209 -7.456 2.021 -1.636 1.00 15.00 C ATOM 0 HA PRO B 209 -9.605 2.158 0.591 1.00 15.00 H new ATOM 0 HB2 PRO B 209 -8.315 -0.412 0.410 1.00 15.00 H new ATOM 0 HB3 PRO B 209 -9.526 0.173 -0.715 1.00 15.00 H new ATOM 0 HG2 PRO B 209 -6.542 0.200 -0.964 1.00 15.00 H new ATOM 0 HG3 PRO B 209 -7.755 -0.025 -2.208 1.00 15.00 H new ATOM 0 HD2 PRO B 209 -6.478 2.322 -2.011 1.00 15.00 H new ATOM 0 HD3 PRO B 209 -8.187 2.300 -2.394 1.00 15.00 H new ATOM 628 N PRO B 210 -8.985 1.524 2.879 1.00 15.00 N ATOM 629 CA PRO B 210 -8.640 1.374 4.296 1.00 15.00 C ATOM 630 C PRO B 210 -7.666 0.228 4.541 1.00 15.00 C ATOM 631 O PRO B 210 -7.825 -0.867 4.003 1.00 15.00 O ATOM 632 CB PRO B 210 -9.989 1.084 4.975 1.00 15.00 C ATOM 633 CG PRO B 210 -10.950 0.816 3.865 1.00 15.00 C ATOM 634 CD PRO B 210 -10.437 1.590 2.689 1.00 15.00 C ATOM 0 HA PRO B 210 -8.139 2.262 4.682 1.00 15.00 H new ATOM 0 HB2 PRO B 210 -9.914 0.227 5.644 1.00 15.00 H new ATOM 0 HB3 PRO B 210 -10.314 1.932 5.578 1.00 15.00 H new ATOM 0 HG2 PRO B 210 -11.001 -0.249 3.640 1.00 15.00 H new ATOM 0 HG3 PRO B 210 -11.957 1.134 4.134 1.00 15.00 H new ATOM 0 HD2 PRO B 210 -10.744 1.143 1.743 1.00 15.00 H new ATOM 0 HD3 PRO B 210 -10.801 2.618 2.689 1.00 15.00 H new ATOM 642 N TYR B 211 -6.676 0.485 5.380 1.00 15.00 N ATOM 643 CA TYR B 211 -5.641 -0.491 5.680 1.00 15.00 C ATOM 644 C TYR B 211 -6.151 -1.544 6.665 1.00 15.00 C ATOM 645 O TYR B 211 -5.540 -2.601 6.837 1.00 15.00 O ATOM 646 CB TYR B 211 -4.401 0.233 6.230 1.00 15.00 C ATOM 647 CG TYR B 211 -3.448 -0.653 7.000 1.00 15.00 C ATOM 648 CD1 TYR B 211 -2.541 -1.478 6.350 1.00 15.00 C ATOM 649 CD2 TYR B 211 -3.471 -0.666 8.385 1.00 15.00 C ATOM 650 CE1 TYR B 211 -1.686 -2.292 7.064 1.00 15.00 C ATOM 651 CE2 TYR B 211 -2.620 -1.472 9.107 1.00 15.00 C ATOM 652 CZ TYR B 211 -1.728 -2.284 8.444 1.00 15.00 C ATOM 653 OH TYR B 211 -0.885 -3.098 9.158 1.00 15.00 O ATOM 0 H TYR B 211 -6.567 1.373 5.871 1.00 15.00 H new ATOM 0 HA TYR B 211 -5.366 -1.014 4.764 1.00 15.00 H new ATOM 0 HB2 TYR B 211 -3.863 0.688 5.398 1.00 15.00 H new ATOM 0 HB3 TYR B 211 -4.728 1.045 6.880 1.00 15.00 H new ATOM 0 HD1 TYR B 211 -2.504 -1.483 5.271 1.00 15.00 H new ATOM 0 HD2 TYR B 211 -4.170 -0.031 8.909 1.00 15.00 H new ATOM 0 HE1 TYR B 211 -0.987 -2.932 6.546 1.00 15.00 H new ATOM 0 HE2 TYR B 211 -2.652 -1.467 10.187 1.00 15.00 H new ATOM 0 HH TYR B 211 -0.402 -3.688 8.543 1.00 15.00 H new ATOM 663 N SER B 212 -7.282 -1.257 7.299 1.00 15.00 N ATOM 664 CA SER B 212 -7.837 -2.149 8.307 1.00 15.00 C ATOM 665 C SER B 212 -8.138 -3.523 7.708 1.00 15.00 C ATOM 666 O SER B 212 -7.818 -4.553 8.304 1.00 15.00 O ATOM 667 CB SER B 212 -9.104 -1.539 8.902 1.00 15.00 C ATOM 668 OG SER B 212 -8.883 -0.193 9.291 1.00 15.00 O ATOM 0 H SER B 212 -7.831 -0.414 7.132 1.00 15.00 H new ATOM 0 HA SER B 212 -7.100 -2.278 9.100 1.00 15.00 H new ATOM 0 HB2 SER B 212 -9.911 -1.583 8.171 1.00 15.00 H new ATOM 0 HB3 SER B 212 -9.423 -2.123 9.765 1.00 15.00 H new ATOM 0 HG SER B 212 -9.708 0.178 9.668 1.00 15.00 H new ATOM 674 N ARG B 213 -8.796 -3.535 6.559 1.00 15.00 N ATOM 675 CA ARG B 213 -8.974 -4.760 5.803 1.00 15.00 C ATOM 676 C ARG B 213 -9.066 -4.445 4.316 1.00 15.00 C ATOM 677 O ARG B 213 -9.304 -3.300 3.934 1.00 15.00 O ATOM 678 CB ARG B 213 -10.187 -5.560 6.257 1.00 15.00 C ATOM 679 CG ARG B 213 -9.994 -7.045 6.012 1.00 15.00 C ATOM 680 CD ARG B 213 -9.148 -7.691 7.103 1.00 15.00 C ATOM 681 NE ARG B 213 -9.802 -7.675 8.412 1.00 15.00 N ATOM 682 CZ ARG B 213 -10.178 -8.774 9.066 1.00 15.00 C ATOM 683 NH1 ARG B 213 -10.029 -9.966 8.500 1.00 15.00 N1+ ATOM 684 NH2 ARG B 213 -10.706 -8.681 10.284 1.00 15.00 N ATOM 0 H ARG B 213 -9.215 -2.709 6.132 1.00 15.00 H new ATOM 0 HA ARG B 213 -8.101 -5.385 5.990 1.00 15.00 H new ATOM 0 HB2 ARG B 213 -10.364 -5.385 7.318 1.00 15.00 H new ATOM 0 HB3 ARG B 213 -11.073 -5.214 5.725 1.00 15.00 H new ATOM 0 HG2 ARG B 213 -10.966 -7.536 5.967 1.00 15.00 H new ATOM 0 HG3 ARG B 213 -9.516 -7.195 5.044 1.00 15.00 H new ATOM 0 HD2 ARG B 213 -8.929 -8.722 6.824 1.00 15.00 H new ATOM 0 HD3 ARG B 213 -8.193 -7.170 7.173 1.00 15.00 H new ATOM 0 HE ARG B 213 -9.980 -6.771 8.849 1.00 15.00 H new ATOM 0 HH11 ARG B 213 -9.627 -10.040 7.565 1.00 15.00 H new ATOM 0 HH12 ARG B 213 -10.316 -10.807 9.000 1.00 15.00 H new ATOM 0 HH21 ARG B 213 -10.824 -7.767 10.720 1.00 15.00 H new ATOM 0 HH22 ARG B 213 -10.993 -9.524 10.781 1.00 15.00 H new ATOM 698 N TYR B 214 -8.929 -5.464 3.482 1.00 15.00 N ATOM 699 CA TYR B 214 -8.720 -5.261 2.058 1.00 15.00 C ATOM 700 C TYR B 214 -10.049 -5.190 1.328 1.00 15.00 C ATOM 701 O TYR B 214 -10.978 -5.937 1.632 1.00 15.00 O ATOM 702 CB TYR B 214 -7.893 -6.413 1.469 1.00 15.00 C ATOM 703 CG TYR B 214 -6.706 -6.826 2.311 1.00 15.00 C ATOM 704 CD1 TYR B 214 -6.153 -5.960 3.242 1.00 15.00 C ATOM 705 CD2 TYR B 214 -6.152 -8.092 2.183 1.00 15.00 C ATOM 706 CE1 TYR B 214 -5.087 -6.334 4.018 1.00 15.00 C ATOM 707 CE2 TYR B 214 -5.075 -8.476 2.958 1.00 15.00 C ATOM 708 CZ TYR B 214 -4.547 -7.594 3.876 1.00 15.00 C ATOM 709 OH TYR B 214 -3.471 -7.973 4.644 1.00 15.00 O ATOM 0 H TYR B 214 -8.959 -6.443 3.768 1.00 15.00 H new ATOM 0 HA TYR B 214 -8.184 -4.321 1.929 1.00 15.00 H new ATOM 0 HB2 TYR B 214 -8.543 -7.277 1.331 1.00 15.00 H new ATOM 0 HB3 TYR B 214 -7.538 -6.121 0.481 1.00 15.00 H new ATOM 0 HD1 TYR B 214 -6.571 -4.971 3.358 1.00 15.00 H new ATOM 0 HD2 TYR B 214 -6.568 -8.786 1.468 1.00 15.00 H new ATOM 0 HE1 TYR B 214 -4.672 -5.644 4.738 1.00 15.00 H new ATOM 0 HE2 TYR B 214 -4.649 -9.462 2.845 1.00 15.00 H new ATOM 0 HH TYR B 214 -3.216 -8.892 4.419 1.00 15.00 H new ATOM 719 N PRO B 215 -10.131 -4.301 0.329 1.00 15.00 N ATOM 720 CA PRO B 215 -11.340 -4.099 -0.479 1.00 15.00 C ATOM 721 C PRO B 215 -11.630 -5.285 -1.399 1.00 15.00 C ATOM 722 O PRO B 215 -12.620 -5.296 -2.133 1.00 15.00 O ATOM 723 CB PRO B 215 -11.003 -2.851 -1.301 1.00 15.00 C ATOM 724 CG PRO B 215 -9.514 -2.852 -1.392 1.00 15.00 C ATOM 725 CD PRO B 215 -9.031 -3.412 -0.090 1.00 15.00 C ATOM 0 HA PRO B 215 -12.234 -3.996 0.136 1.00 15.00 H new ATOM 0 HB2 PRO B 215 -11.461 -2.892 -2.289 1.00 15.00 H new ATOM 0 HB3 PRO B 215 -11.370 -1.946 -0.817 1.00 15.00 H new ATOM 0 HG2 PRO B 215 -9.173 -3.459 -2.230 1.00 15.00 H new ATOM 0 HG3 PRO B 215 -9.130 -1.844 -1.552 1.00 15.00 H new ATOM 0 HD2 PRO B 215 -8.096 -3.959 -0.210 1.00 15.00 H new ATOM 0 HD3 PRO B 215 -8.849 -2.626 0.643 1.00 15.00 H new