USER MOD reduce.3.24.130724 H: found=0, std=0, add=443, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 436 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 464 CYS SG : rot 122:sc= -4.65! USER MOD Set 1.2: A 467 CYS SG : rot 67:sc= 1.71 USER MOD Set 1.3: A 475 CYS SG : rot -156:sc= -0.242 USER MOD Set 1.4: A 479 HIS : no HE2:sc= -10.6! C(o=-14!,f=-20!) USER MOD Set 2.1: A 436 CYS SG : rot 146:sc= -2.31! USER MOD Set 2.2: A 439 CYS SG : rot -43:sc= 0.614 USER MOD Set 2.3: A 441 THR OG1 : rot -105:sc= 1.26 USER MOD Set 2.4: A 454 CYS SG : rot -155:sc=-0.00912 USER MOD Set 2.5: A 459 CYS SG : rot 151:sc= 1.5 USER MOD Set 3.1: A 434 LYS NZ :NH3+ 160:sc= -0.454 (180deg=-0.894) USER MOD Set 3.2: A 468 GLN : amide:sc= 0 K(o=-0.45,f=-1.4) USER MOD Set 4.1: A 432 SER OG : rot 180:sc= 0.072 USER MOD Set 4.2: A 433 THR OG1 : rot 180:sc= 0 USER MOD Single : A 425 SER OG : rot 101:sc= 1.28 USER MOD Single : A 426 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 438 LYS NZ :NH3+ 126:sc= -0.0592 (180deg=-0.385) USER MOD Single : A 443 THR OG1 : rot 180:sc= 0 USER MOD Single : A 449 CYS SG : rot 72:sc= 0.45 USER MOD Single : A 450 MET CE :methyl 152:sc=-0.00973 (180deg=-0.384) USER MOD Single : A 451 HIS : no HE2:sc= -2.45! C(o=-2.5!,f=-8!) USER MOD Single : A 452 MET CE :methyl 137:sc= -2.92! (180deg=-11.3!) USER MOD Single : A 455 THR OG1 : rot -34:sc= 1.07 USER MOD Single : A 469 THR OG1 : rot 180:sc= 0.124 USER MOD Single : A 472 THR OG1 : rot 180:sc= -0.056 USER MOD Single : A 476 MET CE :methyl 162:sc= -0.0767 (180deg=-0.485) USER MOD ----------------------------------------------------------------- ATOM 31 N GLU A 418 22.304 -23.213 -17.171 1.00 0.00 N ATOM 32 CA GLU A 418 23.583 -22.634 -16.831 1.00 0.00 C ATOM 33 C GLU A 418 24.625 -23.038 -17.859 1.00 0.00 C ATOM 34 O GLU A 418 24.389 -23.932 -18.674 1.00 0.00 O ATOM 35 CB GLU A 418 24.033 -23.069 -15.431 1.00 0.00 C ATOM 36 CG GLU A 418 24.272 -24.564 -15.286 1.00 0.00 C ATOM 37 CD GLU A 418 24.915 -24.924 -13.965 1.00 0.00 C ATOM 38 OE1 GLU A 418 26.163 -24.884 -13.875 1.00 0.00 O ATOM 39 OE2 GLU A 418 24.187 -25.251 -13.012 1.00 0.00 O ATOM 0 HA GLU A 418 23.475 -21.549 -16.832 1.00 0.00 H new ATOM 0 HB2 GLU A 418 24.951 -22.540 -15.177 1.00 0.00 H new ATOM 0 HB3 GLU A 418 23.278 -22.762 -14.708 1.00 0.00 H new ATOM 0 HG2 GLU A 418 23.322 -25.091 -15.379 1.00 0.00 H new ATOM 0 HG3 GLU A 418 24.909 -24.907 -16.101 1.00 0.00 H new ATOM 46 N ALA A 419 25.757 -22.381 -17.824 1.00 0.00 N ATOM 47 CA ALA A 419 26.851 -22.698 -18.713 1.00 0.00 C ATOM 48 C ALA A 419 28.146 -22.694 -17.946 1.00 0.00 C ATOM 49 O ALA A 419 28.170 -22.376 -16.756 1.00 0.00 O ATOM 50 CB ALA A 419 26.919 -21.710 -19.865 1.00 0.00 C ATOM 0 H ALA A 419 25.948 -21.613 -17.181 1.00 0.00 H new ATOM 0 HA ALA A 419 26.683 -23.691 -19.130 1.00 0.00 H new ATOM 0 HB1 ALA A 419 27.751 -21.971 -20.519 1.00 0.00 H new ATOM 0 HB2 ALA A 419 25.988 -21.746 -20.430 1.00 0.00 H new ATOM 0 HB3 ALA A 419 27.067 -20.704 -19.473 1.00 0.00 H new ATOM 56 N ARG A 420 29.213 -23.040 -18.614 1.00 0.00 N ATOM 57 CA ARG A 420 30.509 -23.061 -17.992 1.00 0.00 C ATOM 58 C ARG A 420 31.172 -21.701 -18.171 1.00 0.00 C ATOM 59 O ARG A 420 31.698 -21.393 -19.241 1.00 0.00 O ATOM 60 CB ARG A 420 31.368 -24.166 -18.623 1.00 0.00 C ATOM 61 CG ARG A 420 32.450 -24.750 -17.704 1.00 0.00 C ATOM 62 CD ARG A 420 33.473 -23.706 -17.272 1.00 0.00 C ATOM 63 NE ARG A 420 34.524 -24.281 -16.428 1.00 0.00 N ATOM 64 CZ ARG A 420 35.209 -23.603 -15.503 1.00 0.00 C ATOM 65 NH1 ARG A 420 34.920 -22.330 -15.254 1.00 0.00 N ATOM 66 NH2 ARG A 420 36.178 -24.208 -14.817 1.00 0.00 N ATOM 0 H ARG A 420 29.210 -23.313 -19.597 1.00 0.00 H new ATOM 0 HA ARG A 420 30.406 -23.269 -16.927 1.00 0.00 H new ATOM 0 HB2 ARG A 420 30.713 -24.974 -18.947 1.00 0.00 H new ATOM 0 HB3 ARG A 420 31.848 -23.767 -19.517 1.00 0.00 H new ATOM 0 HG2 ARG A 420 31.979 -25.180 -16.820 1.00 0.00 H new ATOM 0 HG3 ARG A 420 32.961 -25.563 -18.220 1.00 0.00 H new ATOM 0 HD2 ARG A 420 33.924 -23.254 -18.155 1.00 0.00 H new ATOM 0 HD3 ARG A 420 32.968 -22.908 -16.728 1.00 0.00 H new ATOM 0 HE ARG A 420 34.748 -25.268 -16.556 1.00 0.00 H new ATOM 0 HH11 ARG A 420 34.172 -21.866 -15.770 1.00 0.00 H new ATOM 0 HH12 ARG A 420 35.446 -21.817 -14.547 1.00 0.00 H new ATOM 0 HH21 ARG A 420 36.396 -25.188 -14.998 1.00 0.00 H new ATOM 0 HH22 ARG A 420 36.702 -23.691 -14.110 1.00 0.00 H new ATOM 80 N TRP A 421 31.125 -20.883 -17.138 1.00 0.00 N ATOM 81 CA TRP A 421 31.737 -19.576 -17.194 1.00 0.00 C ATOM 82 C TRP A 421 33.214 -19.652 -16.838 1.00 0.00 C ATOM 83 O TRP A 421 33.599 -19.635 -15.671 1.00 0.00 O ATOM 84 CB TRP A 421 30.979 -18.553 -16.324 1.00 0.00 C ATOM 85 CG TRP A 421 30.521 -19.082 -15.000 1.00 0.00 C ATOM 86 CD1 TRP A 421 31.279 -19.258 -13.888 1.00 0.00 C ATOM 87 CD2 TRP A 421 29.194 -19.494 -14.650 1.00 0.00 C ATOM 88 NE1 TRP A 421 30.513 -19.757 -12.864 1.00 0.00 N ATOM 89 CE2 TRP A 421 29.227 -19.910 -13.308 1.00 0.00 C ATOM 90 CE3 TRP A 421 27.980 -19.550 -15.343 1.00 0.00 C ATOM 91 CZ2 TRP A 421 28.096 -20.379 -12.644 1.00 0.00 C ATOM 92 CZ3 TRP A 421 26.859 -20.015 -14.684 1.00 0.00 C ATOM 93 CH2 TRP A 421 26.924 -20.423 -13.347 1.00 0.00 C ATOM 0 H TRP A 421 30.669 -21.102 -16.252 1.00 0.00 H new ATOM 0 HA TRP A 421 31.669 -19.218 -18.221 1.00 0.00 H new ATOM 0 HB2 TRP A 421 31.624 -17.691 -16.153 1.00 0.00 H new ATOM 0 HB3 TRP A 421 30.111 -18.196 -16.878 1.00 0.00 H new ATOM 0 HD1 TRP A 421 32.334 -19.037 -13.819 1.00 0.00 H new ATOM 0 HE1 TRP A 421 30.847 -19.978 -11.926 1.00 0.00 H new ATOM 0 HE3 TRP A 421 27.921 -19.235 -16.374 1.00 0.00 H new ATOM 0 HZ2 TRP A 421 28.143 -20.696 -11.613 1.00 0.00 H new ATOM 0 HZ3 TRP A 421 25.917 -20.065 -15.209 1.00 0.00 H new ATOM 0 HH2 TRP A 421 26.029 -20.780 -12.860 1.00 0.00 H new ATOM 104 N ASP A 422 34.033 -19.788 -17.856 1.00 0.00 N ATOM 105 CA ASP A 422 35.468 -19.889 -17.679 1.00 0.00 C ATOM 106 C ASP A 422 36.168 -18.682 -18.275 1.00 0.00 C ATOM 107 O ASP A 422 36.105 -18.442 -19.486 1.00 0.00 O ATOM 108 CB ASP A 422 35.993 -21.180 -18.312 1.00 0.00 C ATOM 109 CG ASP A 422 37.505 -21.228 -18.400 1.00 0.00 C ATOM 110 OD1 ASP A 422 38.171 -21.334 -17.349 1.00 0.00 O ATOM 111 OD2 ASP A 422 38.037 -21.158 -19.527 1.00 0.00 O ATOM 0 H ASP A 422 33.727 -19.832 -18.828 1.00 0.00 H new ATOM 0 HA ASP A 422 35.682 -19.914 -16.610 1.00 0.00 H new ATOM 0 HB2 ASP A 422 35.642 -22.032 -17.730 1.00 0.00 H new ATOM 0 HB3 ASP A 422 35.573 -21.283 -19.313 1.00 0.00 H new ATOM 116 N GLU A 423 36.812 -17.914 -17.425 1.00 0.00 N ATOM 117 CA GLU A 423 37.538 -16.747 -17.862 1.00 0.00 C ATOM 118 C GLU A 423 38.805 -16.592 -17.044 1.00 0.00 C ATOM 119 O GLU A 423 38.754 -16.474 -15.819 1.00 0.00 O ATOM 120 CB GLU A 423 36.666 -15.494 -17.735 1.00 0.00 C ATOM 121 CG GLU A 423 37.264 -14.272 -18.410 1.00 0.00 C ATOM 122 CD GLU A 423 37.532 -14.511 -19.879 1.00 0.00 C ATOM 123 OE1 GLU A 423 36.613 -14.306 -20.700 1.00 0.00 O ATOM 124 OE2 GLU A 423 38.663 -14.918 -20.221 1.00 0.00 O ATOM 0 H GLU A 423 36.846 -18.080 -16.419 1.00 0.00 H new ATOM 0 HA GLU A 423 37.807 -16.873 -18.911 1.00 0.00 H new ATOM 0 HB2 GLU A 423 35.687 -15.697 -18.168 1.00 0.00 H new ATOM 0 HB3 GLU A 423 36.508 -15.276 -16.679 1.00 0.00 H new ATOM 0 HG2 GLU A 423 36.585 -13.427 -18.298 1.00 0.00 H new ATOM 0 HG3 GLU A 423 38.194 -14.001 -17.911 1.00 0.00 H new ATOM 131 N ALA A 424 39.937 -16.612 -17.715 1.00 0.00 N ATOM 132 CA ALA A 424 41.216 -16.484 -17.045 1.00 0.00 C ATOM 133 C ALA A 424 42.052 -15.379 -17.666 1.00 0.00 C ATOM 134 O ALA A 424 43.196 -15.152 -17.268 1.00 0.00 O ATOM 135 CB ALA A 424 41.966 -17.803 -17.085 1.00 0.00 C ATOM 0 H ALA A 424 39.999 -16.716 -18.728 1.00 0.00 H new ATOM 0 HA ALA A 424 41.028 -16.218 -16.005 1.00 0.00 H new ATOM 0 HB1 ALA A 424 42.925 -17.692 -16.578 1.00 0.00 H new ATOM 0 HB2 ALA A 424 41.377 -18.572 -16.584 1.00 0.00 H new ATOM 0 HB3 ALA A 424 42.135 -18.094 -18.122 1.00 0.00 H new ATOM 141 N SER A 425 41.476 -14.695 -18.639 1.00 0.00 N ATOM 142 CA SER A 425 42.165 -13.618 -19.315 1.00 0.00 C ATOM 143 C SER A 425 42.310 -12.422 -18.382 1.00 0.00 C ATOM 144 O SER A 425 41.317 -11.866 -17.915 1.00 0.00 O ATOM 145 CB SER A 425 41.389 -13.216 -20.562 1.00 0.00 C ATOM 146 OG SER A 425 40.996 -14.366 -21.299 1.00 0.00 O ATOM 0 H SER A 425 40.530 -14.870 -18.977 1.00 0.00 H new ATOM 0 HA SER A 425 43.159 -13.957 -19.606 1.00 0.00 H new ATOM 0 HB2 SER A 425 40.508 -12.640 -20.279 1.00 0.00 H new ATOM 0 HB3 SER A 425 42.005 -12.569 -21.187 1.00 0.00 H new ATOM 0 HG SER A 425 40.052 -14.562 -21.121 1.00 0.00 H new ATOM 152 N ASN A 426 43.540 -12.041 -18.103 1.00 0.00 N ATOM 153 CA ASN A 426 43.804 -10.929 -17.206 1.00 0.00 C ATOM 154 C ASN A 426 43.781 -9.619 -17.959 1.00 0.00 C ATOM 155 O ASN A 426 44.684 -9.320 -18.739 1.00 0.00 O ATOM 156 CB ASN A 426 45.148 -11.095 -16.487 1.00 0.00 C ATOM 157 CG ASN A 426 45.161 -12.257 -15.510 1.00 0.00 C ATOM 158 OD1 ASN A 426 44.792 -12.111 -14.344 1.00 0.00 O ATOM 159 ND2 ASN A 426 45.601 -13.410 -15.972 1.00 0.00 N ATOM 0 H ASN A 426 44.376 -12.485 -18.484 1.00 0.00 H new ATOM 0 HA ASN A 426 43.014 -10.921 -16.455 1.00 0.00 H new ATOM 0 HB2 ASN A 426 45.934 -11.242 -17.228 1.00 0.00 H new ATOM 0 HB3 ASN A 426 45.383 -10.175 -15.952 1.00 0.00 H new ATOM 0 HD21 ASN A 426 45.645 -14.223 -15.357 1.00 0.00 H new ATOM 0 HD22 ASN A 426 45.898 -13.490 -16.945 1.00 0.00 H new ATOM 166 N VAL A 427 42.738 -8.851 -17.744 1.00 0.00 N ATOM 167 CA VAL A 427 42.607 -7.563 -18.382 1.00 0.00 C ATOM 168 C VAL A 427 43.149 -6.481 -17.461 1.00 0.00 C ATOM 169 O VAL A 427 42.835 -6.461 -16.267 1.00 0.00 O ATOM 170 CB VAL A 427 41.133 -7.250 -18.738 1.00 0.00 C ATOM 171 CG1 VAL A 427 41.034 -5.975 -19.567 1.00 0.00 C ATOM 172 CG2 VAL A 427 40.500 -8.419 -19.480 1.00 0.00 C ATOM 0 H VAL A 427 41.964 -9.099 -17.128 1.00 0.00 H new ATOM 0 HA VAL A 427 43.179 -7.587 -19.309 1.00 0.00 H new ATOM 0 HB VAL A 427 40.586 -7.095 -17.808 1.00 0.00 H new ATOM 0 HG11 VAL A 427 39.989 -5.776 -19.805 1.00 0.00 H new ATOM 0 HG12 VAL A 427 41.443 -5.139 -18.999 1.00 0.00 H new ATOM 0 HG13 VAL A 427 41.599 -6.097 -20.491 1.00 0.00 H new ATOM 0 HG21 VAL A 427 39.464 -8.179 -19.721 1.00 0.00 H new ATOM 0 HG22 VAL A 427 41.052 -8.608 -20.400 1.00 0.00 H new ATOM 0 HG23 VAL A 427 40.529 -9.308 -18.850 1.00 0.00 H new ATOM 237 N VAL A 431 39.466 -0.901 -11.970 1.00 0.00 N ATOM 238 CA VAL A 431 38.092 -0.462 -12.092 1.00 0.00 C ATOM 239 C VAL A 431 38.001 0.351 -13.374 1.00 0.00 C ATOM 240 O VAL A 431 38.951 1.065 -13.712 1.00 0.00 O ATOM 241 CB VAL A 431 37.631 0.419 -10.884 1.00 0.00 C ATOM 242 CG1 VAL A 431 36.186 0.868 -11.059 1.00 0.00 C ATOM 243 CG2 VAL A 431 37.794 -0.319 -9.562 1.00 0.00 C ATOM 0 HA VAL A 431 37.439 -1.335 -12.107 1.00 0.00 H new ATOM 0 HB VAL A 431 38.271 1.301 -10.862 1.00 0.00 H new ATOM 0 HG11 VAL A 431 35.889 1.479 -10.207 1.00 0.00 H new ATOM 0 HG12 VAL A 431 36.095 1.453 -11.974 1.00 0.00 H new ATOM 0 HG13 VAL A 431 35.538 -0.006 -11.122 1.00 0.00 H new ATOM 0 HG21 VAL A 431 37.464 0.322 -8.744 1.00 0.00 H new ATOM 0 HG22 VAL A 431 37.192 -1.228 -9.576 1.00 0.00 H new ATOM 0 HG23 VAL A 431 38.842 -0.580 -9.418 1.00 0.00 H new ATOM 253 N SER A 432 36.900 0.221 -14.096 1.00 0.00 N ATOM 254 CA SER A 432 36.729 0.914 -15.364 1.00 0.00 C ATOM 255 C SER A 432 36.767 2.434 -15.186 1.00 0.00 C ATOM 256 O SER A 432 37.693 3.107 -15.650 1.00 0.00 O ATOM 257 CB SER A 432 35.419 0.473 -16.012 1.00 0.00 C ATOM 258 OG SER A 432 34.382 0.387 -15.046 1.00 0.00 O ATOM 0 H SER A 432 36.107 -0.361 -13.825 1.00 0.00 H new ATOM 0 HA SER A 432 37.560 0.650 -16.018 1.00 0.00 H new ATOM 0 HB2 SER A 432 35.138 1.181 -16.792 1.00 0.00 H new ATOM 0 HB3 SER A 432 35.554 -0.495 -16.494 1.00 0.00 H new ATOM 0 HG SER A 432 33.551 0.105 -15.482 1.00 0.00 H new ATOM 264 N THR A 433 35.773 2.958 -14.517 1.00 0.00 N ATOM 265 CA THR A 433 35.702 4.366 -14.250 1.00 0.00 C ATOM 266 C THR A 433 35.873 4.629 -12.766 1.00 0.00 C ATOM 267 O THR A 433 35.224 3.992 -11.933 1.00 0.00 O ATOM 268 CB THR A 433 34.371 4.959 -14.745 1.00 0.00 C ATOM 269 OG1 THR A 433 33.305 4.013 -14.533 1.00 0.00 O ATOM 270 CG2 THR A 433 34.454 5.325 -16.222 1.00 0.00 C ATOM 0 H THR A 433 34.992 2.419 -14.143 1.00 0.00 H new ATOM 0 HA THR A 433 36.512 4.853 -14.793 1.00 0.00 H new ATOM 0 HB THR A 433 34.168 5.867 -14.178 1.00 0.00 H new ATOM 0 HG1 THR A 433 32.460 4.396 -14.848 1.00 0.00 H new ATOM 0 HG21 THR A 433 33.501 5.742 -16.548 1.00 0.00 H new ATOM 0 HG22 THR A 433 35.242 6.063 -16.370 1.00 0.00 H new ATOM 0 HG23 THR A 433 34.678 4.432 -16.806 1.00 0.00 H new ATOM 278 N LYS A 434 36.746 5.550 -12.438 1.00 0.00 N ATOM 279 CA LYS A 434 37.030 5.865 -11.057 1.00 0.00 C ATOM 280 C LYS A 434 36.313 7.152 -10.673 1.00 0.00 C ATOM 281 O LYS A 434 36.239 8.082 -11.472 1.00 0.00 O ATOM 282 CB LYS A 434 38.544 6.014 -10.851 1.00 0.00 C ATOM 283 CG LYS A 434 39.378 4.895 -11.485 1.00 0.00 C ATOM 284 CD LYS A 434 39.050 3.520 -10.922 1.00 0.00 C ATOM 285 CE LYS A 434 39.932 3.158 -9.728 1.00 0.00 C ATOM 286 NZ LYS A 434 39.784 4.103 -8.593 1.00 0.00 N ATOM 0 H LYS A 434 37.277 6.099 -13.114 1.00 0.00 H new ATOM 0 HA LYS A 434 36.674 5.055 -10.420 1.00 0.00 H new ATOM 0 HB2 LYS A 434 38.863 6.970 -11.266 1.00 0.00 H new ATOM 0 HB3 LYS A 434 38.752 6.046 -9.782 1.00 0.00 H new ATOM 0 HG2 LYS A 434 39.211 4.890 -12.562 1.00 0.00 H new ATOM 0 HG3 LYS A 434 40.436 5.104 -11.327 1.00 0.00 H new ATOM 0 HD2 LYS A 434 38.003 3.494 -10.619 1.00 0.00 H new ATOM 0 HD3 LYS A 434 39.174 2.770 -11.704 1.00 0.00 H new ATOM 0 HE2 LYS A 434 39.683 2.152 -9.391 1.00 0.00 H new ATOM 0 HE3 LYS A 434 40.975 3.140 -10.045 1.00 0.00 H new ATOM 0 HZ1 LYS A 434 40.118 3.650 -7.718 1.00 0.00 H new ATOM 0 HZ2 LYS A 434 40.347 4.958 -8.777 1.00 0.00 H new ATOM 0 HZ3 LYS A 434 38.783 4.364 -8.487 1.00 0.00 H new ATOM 300 N PRO A 435 35.752 7.216 -9.464 1.00 0.00 N ATOM 301 CA PRO A 435 35.013 8.389 -9.006 1.00 0.00 C ATOM 302 C PRO A 435 35.921 9.569 -8.663 1.00 0.00 C ATOM 303 O PRO A 435 36.930 9.416 -7.962 1.00 0.00 O ATOM 304 CB PRO A 435 34.293 7.887 -7.752 1.00 0.00 C ATOM 305 CG PRO A 435 35.154 6.788 -7.238 1.00 0.00 C ATOM 306 CD PRO A 435 35.785 6.148 -8.446 1.00 0.00 C ATOM 0 HA PRO A 435 34.346 8.769 -9.779 1.00 0.00 H new ATOM 0 HB2 PRO A 435 34.182 8.682 -7.014 1.00 0.00 H new ATOM 0 HB3 PRO A 435 33.291 7.528 -7.987 1.00 0.00 H new ATOM 0 HG2 PRO A 435 35.915 7.174 -6.560 1.00 0.00 H new ATOM 0 HG3 PRO A 435 34.565 6.063 -6.676 1.00 0.00 H new ATOM 0 HD2 PRO A 435 36.805 5.822 -8.240 1.00 0.00 H new ATOM 0 HD3 PRO A 435 35.229 5.268 -8.770 1.00 0.00 H new ATOM 314 N CYS A 436 35.561 10.739 -9.181 1.00 0.00 N ATOM 315 CA CYS A 436 36.258 11.984 -8.874 1.00 0.00 C ATOM 316 C CYS A 436 36.197 12.231 -7.367 1.00 0.00 C ATOM 317 O CYS A 436 35.196 11.915 -6.732 1.00 0.00 O ATOM 318 CB CYS A 436 35.579 13.140 -9.644 1.00 0.00 C ATOM 319 SG CYS A 436 36.219 14.826 -9.301 1.00 0.00 S ATOM 0 H CYS A 436 34.778 10.851 -9.825 1.00 0.00 H new ATOM 0 HA CYS A 436 37.303 11.923 -9.177 1.00 0.00 H new ATOM 0 HB2 CYS A 436 35.679 12.946 -10.712 1.00 0.00 H new ATOM 0 HB3 CYS A 436 34.513 13.125 -9.416 1.00 0.00 H new ATOM 0 HG CYS A 436 36.149 15.545 -10.382 1.00 0.00 H new ATOM 324 N PRO A 437 37.242 12.812 -6.769 1.00 0.00 N ATOM 325 CA PRO A 437 37.265 13.073 -5.337 1.00 0.00 C ATOM 326 C PRO A 437 36.440 14.303 -5.002 1.00 0.00 C ATOM 327 O PRO A 437 36.387 14.743 -3.854 1.00 0.00 O ATOM 328 CB PRO A 437 38.742 13.326 -5.061 1.00 0.00 C ATOM 329 CG PRO A 437 39.241 13.940 -6.315 1.00 0.00 C ATOM 330 CD PRO A 437 38.467 13.296 -7.435 1.00 0.00 C ATOM 0 HA PRO A 437 36.847 12.260 -4.743 1.00 0.00 H new ATOM 0 HB2 PRO A 437 38.881 13.991 -4.208 1.00 0.00 H new ATOM 0 HB3 PRO A 437 39.270 12.400 -4.832 1.00 0.00 H new ATOM 0 HG2 PRO A 437 39.089 15.019 -6.307 1.00 0.00 H new ATOM 0 HG3 PRO A 437 40.311 13.769 -6.433 1.00 0.00 H new ATOM 0 HD2 PRO A 437 38.239 14.009 -8.228 1.00 0.00 H new ATOM 0 HD3 PRO A 437 39.026 12.479 -7.892 1.00 0.00 H new ATOM 338 N LYS A 438 35.811 14.860 -6.022 1.00 0.00 N ATOM 339 CA LYS A 438 34.981 16.027 -5.862 1.00 0.00 C ATOM 340 C LYS A 438 33.513 15.687 -6.124 1.00 0.00 C ATOM 341 O LYS A 438 32.683 15.721 -5.210 1.00 0.00 O ATOM 342 CB LYS A 438 35.438 17.151 -6.809 1.00 0.00 C ATOM 343 CG LYS A 438 36.878 17.616 -6.611 1.00 0.00 C ATOM 344 CD LYS A 438 37.237 17.723 -5.143 1.00 0.00 C ATOM 345 CE LYS A 438 38.505 18.533 -4.927 1.00 0.00 C ATOM 346 NZ LYS A 438 38.331 19.954 -5.320 1.00 0.00 N ATOM 0 H LYS A 438 35.865 14.513 -6.979 1.00 0.00 H new ATOM 0 HA LYS A 438 35.081 16.373 -4.833 1.00 0.00 H new ATOM 0 HB2 LYS A 438 35.321 16.809 -7.837 1.00 0.00 H new ATOM 0 HB3 LYS A 438 34.775 18.006 -6.680 1.00 0.00 H new ATOM 0 HG2 LYS A 438 37.556 16.918 -7.101 1.00 0.00 H new ATOM 0 HG3 LYS A 438 37.017 18.585 -7.091 1.00 0.00 H new ATOM 0 HD2 LYS A 438 36.413 18.187 -4.601 1.00 0.00 H new ATOM 0 HD3 LYS A 438 37.369 16.724 -4.728 1.00 0.00 H new ATOM 0 HE2 LYS A 438 38.795 18.480 -3.878 1.00 0.00 H new ATOM 0 HE3 LYS A 438 39.318 18.094 -5.505 1.00 0.00 H new ATOM 0 HZ1 LYS A 438 38.599 20.569 -4.525 1.00 0.00 H new ATOM 0 HZ2 LYS A 438 38.936 20.164 -6.140 1.00 0.00 H new ATOM 0 HZ3 LYS A 438 37.336 20.126 -5.570 1.00 0.00 H new ATOM 360 N CYS A 439 33.203 15.332 -7.365 1.00 0.00 N ATOM 361 CA CYS A 439 31.829 15.038 -7.760 1.00 0.00 C ATOM 362 C CYS A 439 31.518 13.546 -7.702 1.00 0.00 C ATOM 363 O CYS A 439 30.348 13.147 -7.737 1.00 0.00 O ATOM 364 CB CYS A 439 31.572 15.574 -9.162 1.00 0.00 C ATOM 365 SG CYS A 439 32.824 15.089 -10.381 1.00 0.00 S ATOM 0 H CYS A 439 33.886 15.240 -8.117 1.00 0.00 H new ATOM 0 HA CYS A 439 31.168 15.532 -7.048 1.00 0.00 H new ATOM 0 HB2 CYS A 439 30.597 15.224 -9.500 1.00 0.00 H new ATOM 0 HB3 CYS A 439 31.523 16.662 -9.120 1.00 0.00 H new ATOM 0 HG CYS A 439 34.008 15.211 -9.859 1.00 0.00 H new ATOM 370 N ARG A 440 32.567 12.732 -7.633 1.00 0.00 N ATOM 371 CA ARG A 440 32.439 11.270 -7.576 1.00 0.00 C ATOM 372 C ARG A 440 31.853 10.695 -8.861 1.00 0.00 C ATOM 373 O ARG A 440 31.329 9.580 -8.870 1.00 0.00 O ATOM 374 CB ARG A 440 31.619 10.812 -6.352 1.00 0.00 C ATOM 375 CG ARG A 440 32.411 10.749 -5.049 1.00 0.00 C ATOM 376 CD ARG A 440 32.837 12.130 -4.569 1.00 0.00 C ATOM 377 NE ARG A 440 33.645 12.055 -3.347 1.00 0.00 N ATOM 378 CZ ARG A 440 33.956 13.101 -2.576 1.00 0.00 C ATOM 379 NH1 ARG A 440 33.538 14.322 -2.899 1.00 0.00 N ATOM 380 NH2 ARG A 440 34.693 12.925 -1.486 1.00 0.00 N ATOM 0 H ARG A 440 33.532 13.062 -7.615 1.00 0.00 H new ATOM 0 HA ARG A 440 33.450 10.878 -7.468 1.00 0.00 H new ATOM 0 HB2 ARG A 440 30.778 11.492 -6.219 1.00 0.00 H new ATOM 0 HB3 ARG A 440 31.202 9.826 -6.558 1.00 0.00 H new ATOM 0 HG2 ARG A 440 31.805 10.270 -4.280 1.00 0.00 H new ATOM 0 HG3 ARG A 440 33.295 10.127 -5.192 1.00 0.00 H new ATOM 0 HD2 ARG A 440 33.408 12.627 -5.353 1.00 0.00 H new ATOM 0 HD3 ARG A 440 31.953 12.740 -4.384 1.00 0.00 H new ATOM 0 HE ARG A 440 33.994 11.139 -3.066 1.00 0.00 H new ATOM 0 HH11 ARG A 440 32.977 14.463 -3.739 1.00 0.00 H new ATOM 0 HH12 ARG A 440 33.779 15.117 -2.307 1.00 0.00 H new ATOM 0 HH21 ARG A 440 35.021 11.992 -1.238 1.00 0.00 H new ATOM 0 HH22 ARG A 440 34.931 13.723 -0.897 1.00 0.00 H new ATOM 394 N THR A 441 31.966 11.439 -9.947 1.00 0.00 N ATOM 395 CA THR A 441 31.477 10.969 -11.225 1.00 0.00 C ATOM 396 C THR A 441 32.411 9.911 -11.800 1.00 0.00 C ATOM 397 O THR A 441 33.609 9.895 -11.489 1.00 0.00 O ATOM 398 CB THR A 441 31.312 12.121 -12.238 1.00 0.00 C ATOM 399 OG1 THR A 441 32.495 12.928 -12.260 1.00 0.00 O ATOM 400 CG2 THR A 441 30.107 12.975 -11.890 1.00 0.00 C ATOM 0 H THR A 441 32.390 12.366 -9.967 1.00 0.00 H new ATOM 0 HA THR A 441 30.495 10.530 -11.050 1.00 0.00 H new ATOM 0 HB THR A 441 31.154 11.690 -13.227 1.00 0.00 H new ATOM 0 HG1 THR A 441 32.324 13.771 -11.791 1.00 0.00 H new ATOM 0 HG21 THR A 441 30.010 13.781 -12.617 1.00 0.00 H new ATOM 0 HG22 THR A 441 29.207 12.360 -11.908 1.00 0.00 H new ATOM 0 HG23 THR A 441 30.237 13.399 -10.894 1.00 0.00 H new ATOM 408 N PRO A 442 31.872 8.995 -12.617 1.00 0.00 N ATOM 409 CA PRO A 442 32.659 7.932 -13.238 1.00 0.00 C ATOM 410 C PRO A 442 33.665 8.468 -14.256 1.00 0.00 C ATOM 411 O PRO A 442 33.340 8.670 -15.426 1.00 0.00 O ATOM 412 CB PRO A 442 31.602 7.054 -13.927 1.00 0.00 C ATOM 413 CG PRO A 442 30.438 7.955 -14.139 1.00 0.00 C ATOM 414 CD PRO A 442 30.447 8.925 -12.995 1.00 0.00 C ATOM 0 HA PRO A 442 33.262 7.394 -12.506 1.00 0.00 H new ATOM 0 HB2 PRO A 442 31.972 6.658 -14.872 1.00 0.00 H new ATOM 0 HB3 PRO A 442 31.333 6.199 -13.307 1.00 0.00 H new ATOM 0 HG2 PRO A 442 30.518 8.477 -15.093 1.00 0.00 H new ATOM 0 HG3 PRO A 442 29.507 7.389 -14.162 1.00 0.00 H new ATOM 0 HD2 PRO A 442 30.062 9.900 -13.292 1.00 0.00 H new ATOM 0 HD3 PRO A 442 29.829 8.577 -12.168 1.00 0.00 H new ATOM 422 N THR A 443 34.872 8.715 -13.797 1.00 0.00 N ATOM 423 CA THR A 443 35.920 9.196 -14.656 1.00 0.00 C ATOM 424 C THR A 443 36.680 8.030 -15.252 1.00 0.00 C ATOM 425 O THR A 443 37.278 7.226 -14.526 1.00 0.00 O ATOM 426 CB THR A 443 36.900 10.110 -13.898 1.00 0.00 C ATOM 427 OG1 THR A 443 36.190 11.232 -13.354 1.00 0.00 O ATOM 428 CG2 THR A 443 37.998 10.607 -14.833 1.00 0.00 C ATOM 0 H THR A 443 35.149 8.588 -12.824 1.00 0.00 H new ATOM 0 HA THR A 443 35.453 9.779 -15.450 1.00 0.00 H new ATOM 0 HB THR A 443 37.358 9.538 -13.091 1.00 0.00 H new ATOM 0 HG1 THR A 443 36.815 11.812 -12.871 1.00 0.00 H new ATOM 0 HG21 THR A 443 38.682 11.252 -14.281 1.00 0.00 H new ATOM 0 HG22 THR A 443 38.547 9.755 -15.235 1.00 0.00 H new ATOM 0 HG23 THR A 443 37.551 11.170 -15.652 1.00 0.00 H new ATOM 436 N GLU A 444 36.634 7.919 -16.556 1.00 0.00 N ATOM 437 CA GLU A 444 37.338 6.869 -17.249 1.00 0.00 C ATOM 438 C GLU A 444 38.834 7.066 -17.138 1.00 0.00 C ATOM 439 O GLU A 444 39.313 8.186 -16.973 1.00 0.00 O ATOM 440 CB GLU A 444 36.907 6.800 -18.703 1.00 0.00 C ATOM 441 CG GLU A 444 36.768 8.151 -19.363 1.00 0.00 C ATOM 442 CD GLU A 444 36.491 8.043 -20.842 1.00 0.00 C ATOM 443 OE1 GLU A 444 37.455 7.904 -21.619 1.00 0.00 O ATOM 444 OE2 GLU A 444 35.306 8.090 -21.235 1.00 0.00 O ATOM 0 H GLU A 444 36.111 8.549 -17.164 1.00 0.00 H new ATOM 0 HA GLU A 444 37.085 5.919 -16.777 1.00 0.00 H new ATOM 0 HB2 GLU A 444 37.633 6.207 -19.260 1.00 0.00 H new ATOM 0 HB3 GLU A 444 35.953 6.276 -18.765 1.00 0.00 H new ATOM 0 HG2 GLU A 444 35.960 8.705 -18.884 1.00 0.00 H new ATOM 0 HG3 GLU A 444 37.682 8.724 -19.208 1.00 0.00 H new ATOM 451 N ARG A 445 39.560 5.981 -17.209 1.00 0.00 N ATOM 452 CA ARG A 445 41.001 6.033 -17.073 1.00 0.00 C ATOM 453 C ARG A 445 41.653 6.706 -18.256 1.00 0.00 C ATOM 454 O ARG A 445 41.310 6.442 -19.410 1.00 0.00 O ATOM 455 CB ARG A 445 41.585 4.647 -16.904 1.00 0.00 C ATOM 456 CG ARG A 445 41.002 3.863 -15.750 1.00 0.00 C ATOM 457 CD ARG A 445 41.134 2.372 -15.977 1.00 0.00 C ATOM 458 NE ARG A 445 42.510 1.957 -16.305 1.00 0.00 N ATOM 459 CZ ARG A 445 42.830 0.772 -16.849 1.00 0.00 C ATOM 460 NH1 ARG A 445 41.876 -0.074 -17.224 1.00 0.00 N ATOM 461 NH2 ARG A 445 44.104 0.447 -17.043 1.00 0.00 N ATOM 0 H ARG A 445 39.181 5.046 -17.360 1.00 0.00 H new ATOM 0 HA ARG A 445 41.207 6.623 -16.180 1.00 0.00 H new ATOM 0 HB2 ARG A 445 41.430 4.085 -17.825 1.00 0.00 H new ATOM 0 HB3 ARG A 445 42.662 4.734 -16.762 1.00 0.00 H new ATOM 0 HG2 ARG A 445 41.510 4.139 -14.826 1.00 0.00 H new ATOM 0 HG3 ARG A 445 39.951 4.123 -15.625 1.00 0.00 H new ATOM 0 HD2 ARG A 445 40.805 1.844 -15.082 1.00 0.00 H new ATOM 0 HD3 ARG A 445 40.468 2.073 -16.786 1.00 0.00 H new ATOM 0 HE ARG A 445 43.267 2.611 -16.106 1.00 0.00 H new ATOM 0 HH11 ARG A 445 40.895 0.176 -17.099 1.00 0.00 H new ATOM 0 HH12 ARG A 445 42.125 -0.973 -17.637 1.00 0.00 H new ATOM 0 HH21 ARG A 445 44.843 1.099 -16.778 1.00 0.00 H new ATOM 0 HH22 ARG A 445 44.343 -0.454 -17.457 1.00 0.00 H new ATOM 475 N ASP A 446 42.591 7.566 -17.959 1.00 0.00 N ATOM 476 CA ASP A 446 43.360 8.250 -18.979 1.00 0.00 C ATOM 477 C ASP A 446 44.566 7.403 -19.328 1.00 0.00 C ATOM 478 O ASP A 446 45.413 7.143 -18.478 1.00 0.00 O ATOM 479 CB ASP A 446 43.802 9.639 -18.493 1.00 0.00 C ATOM 480 CG ASP A 446 42.657 10.640 -18.428 1.00 0.00 C ATOM 481 OD1 ASP A 446 41.984 10.731 -17.375 1.00 0.00 O ATOM 482 OD2 ASP A 446 42.428 11.346 -19.437 1.00 0.00 O ATOM 0 H ASP A 446 42.848 7.816 -17.004 1.00 0.00 H new ATOM 0 HA ASP A 446 42.740 8.393 -19.864 1.00 0.00 H new ATOM 0 HB2 ASP A 446 44.252 9.546 -17.505 1.00 0.00 H new ATOM 0 HB3 ASP A 446 44.574 10.022 -19.160 1.00 0.00 H new ATOM 487 N GLY A 447 44.637 6.958 -20.568 1.00 0.00 N ATOM 488 CA GLY A 447 45.713 6.071 -20.970 1.00 0.00 C ATOM 489 C GLY A 447 46.927 6.796 -21.509 1.00 0.00 C ATOM 490 O GLY A 447 47.947 6.171 -21.800 1.00 0.00 O ATOM 0 H GLY A 447 43.973 7.192 -21.306 1.00 0.00 H new ATOM 0 HA2 GLY A 447 46.012 5.465 -20.114 1.00 0.00 H new ATOM 0 HA3 GLY A 447 45.342 5.385 -21.732 1.00 0.00 H new ATOM 494 N GLY A 448 46.829 8.102 -21.649 1.00 0.00 N ATOM 495 CA GLY A 448 47.941 8.875 -22.168 1.00 0.00 C ATOM 496 C GLY A 448 48.874 9.353 -21.075 1.00 0.00 C ATOM 497 O GLY A 448 49.996 9.785 -21.348 1.00 0.00 O ATOM 0 H GLY A 448 46.000 8.647 -21.414 1.00 0.00 H new ATOM 0 HA2 GLY A 448 48.501 8.268 -22.880 1.00 0.00 H new ATOM 0 HA3 GLY A 448 47.557 9.736 -22.716 1.00 0.00 H new ATOM 501 N CYS A 449 48.419 9.267 -19.842 1.00 0.00 N ATOM 502 CA CYS A 449 49.199 9.710 -18.712 1.00 0.00 C ATOM 503 C CYS A 449 48.702 9.059 -17.434 1.00 0.00 C ATOM 504 O CYS A 449 47.584 8.557 -17.385 1.00 0.00 O ATOM 505 CB CYS A 449 49.107 11.234 -18.597 1.00 0.00 C ATOM 506 SG CYS A 449 47.416 11.889 -18.707 1.00 0.00 S ATOM 0 H CYS A 449 47.503 8.890 -19.599 1.00 0.00 H new ATOM 0 HA CYS A 449 50.239 9.419 -18.862 1.00 0.00 H new ATOM 0 HB2 CYS A 449 49.543 11.542 -17.647 1.00 0.00 H new ATOM 0 HB3 CYS A 449 49.711 11.684 -19.385 1.00 0.00 H new ATOM 0 HG CYS A 449 46.765 11.594 -17.621 1.00 0.00 H new ATOM 512 N MET A 450 49.527 9.072 -16.401 1.00 0.00 N ATOM 513 CA MET A 450 49.142 8.529 -15.102 1.00 0.00 C ATOM 514 C MET A 450 48.443 9.632 -14.285 1.00 0.00 C ATOM 515 O MET A 450 48.507 9.683 -13.049 1.00 0.00 O ATOM 516 CB MET A 450 50.375 7.973 -14.369 1.00 0.00 C ATOM 517 CG MET A 450 50.030 7.098 -13.174 1.00 0.00 C ATOM 518 SD MET A 450 51.443 6.208 -12.499 1.00 0.00 S ATOM 519 CE MET A 450 52.321 7.537 -11.692 1.00 0.00 C ATOM 0 H MET A 450 50.472 9.454 -16.433 1.00 0.00 H new ATOM 0 HA MET A 450 48.445 7.701 -15.235 1.00 0.00 H new ATOM 0 HB2 MET A 450 50.974 7.394 -15.072 1.00 0.00 H new ATOM 0 HB3 MET A 450 50.993 8.805 -14.033 1.00 0.00 H new ATOM 0 HG2 MET A 450 49.596 7.721 -12.392 1.00 0.00 H new ATOM 0 HG3 MET A 450 49.266 6.379 -13.469 1.00 0.00 H new ATOM 0 HE1 MET A 450 52.893 7.139 -10.854 1.00 0.00 H new ATOM 0 HE2 MET A 450 53.000 8.009 -12.403 1.00 0.00 H new ATOM 0 HE3 MET A 450 51.607 8.275 -11.327 1.00 0.00 H new ATOM 529 N HIS A 451 47.767 10.494 -15.014 1.00 0.00 N ATOM 530 CA HIS A 451 47.028 11.613 -14.474 1.00 0.00 C ATOM 531 C HIS A 451 45.605 11.523 -14.980 1.00 0.00 C ATOM 532 O HIS A 451 45.381 11.456 -16.189 1.00 0.00 O ATOM 533 CB HIS A 451 47.680 12.920 -14.949 1.00 0.00 C ATOM 534 CG HIS A 451 47.070 14.181 -14.415 1.00 0.00 C ATOM 535 ND1 HIS A 451 47.747 14.982 -13.538 1.00 0.00 N ATOM 536 CD2 HIS A 451 45.889 14.755 -14.718 1.00 0.00 C ATOM 537 CE1 HIS A 451 46.973 16.026 -13.333 1.00 0.00 C ATOM 538 NE2 HIS A 451 45.834 15.936 -14.030 1.00 0.00 N ATOM 0 H HIS A 451 47.716 10.432 -16.031 1.00 0.00 H new ATOM 0 HA HIS A 451 47.033 11.594 -13.384 1.00 0.00 H new ATOM 0 HB2 HIS A 451 48.734 12.901 -14.670 1.00 0.00 H new ATOM 0 HB3 HIS A 451 47.639 12.951 -16.038 1.00 0.00 H new ATOM 0 HD1 HIS A 451 48.664 14.806 -13.127 1.00 0.00 H new ATOM 0 HD2 HIS A 451 45.131 14.359 -15.378 1.00 0.00 H new ATOM 0 HE1 HIS A 451 47.225 16.852 -12.684 1.00 0.00 H new ATOM 546 N MET A 452 44.655 11.502 -14.071 1.00 0.00 N ATOM 547 CA MET A 452 43.262 11.387 -14.443 1.00 0.00 C ATOM 548 C MET A 452 42.608 12.746 -14.522 1.00 0.00 C ATOM 549 O MET A 452 42.800 13.608 -13.655 1.00 0.00 O ATOM 550 CB MET A 452 42.513 10.490 -13.473 1.00 0.00 C ATOM 551 CG MET A 452 42.224 9.111 -14.006 1.00 0.00 C ATOM 552 SD MET A 452 41.478 8.075 -12.750 1.00 0.00 S ATOM 553 CE MET A 452 41.372 6.564 -13.636 1.00 0.00 C ATOM 0 H MET A 452 44.822 11.563 -13.067 1.00 0.00 H new ATOM 0 HA MET A 452 43.219 10.931 -15.432 1.00 0.00 H new ATOM 0 HB2 MET A 452 43.095 10.398 -12.556 1.00 0.00 H new ATOM 0 HB3 MET A 452 41.571 10.969 -13.206 1.00 0.00 H new ATOM 0 HG2 MET A 452 41.557 9.183 -14.865 1.00 0.00 H new ATOM 0 HG3 MET A 452 43.149 8.653 -14.357 1.00 0.00 H new ATOM 0 HE1 MET A 452 41.677 5.741 -12.990 1.00 0.00 H new ATOM 0 HE2 MET A 452 40.345 6.406 -13.964 1.00 0.00 H new ATOM 0 HE3 MET A 452 42.028 6.605 -14.505 1.00 0.00 H new ATOM 563 N VAL A 453 41.846 12.939 -15.562 1.00 0.00 N ATOM 564 CA VAL A 453 41.186 14.196 -15.799 1.00 0.00 C ATOM 565 C VAL A 453 39.684 14.055 -15.654 1.00 0.00 C ATOM 566 O VAL A 453 39.058 13.263 -16.366 1.00 0.00 O ATOM 567 CB VAL A 453 41.492 14.703 -17.216 1.00 0.00 C ATOM 568 CG1 VAL A 453 40.848 16.062 -17.466 1.00 0.00 C ATOM 569 CG2 VAL A 453 42.994 14.765 -17.449 1.00 0.00 C ATOM 0 H VAL A 453 41.664 12.229 -16.271 1.00 0.00 H new ATOM 0 HA VAL A 453 41.558 14.906 -15.060 1.00 0.00 H new ATOM 0 HB VAL A 453 41.063 13.997 -17.927 1.00 0.00 H new ATOM 0 HG11 VAL A 453 41.082 16.395 -18.477 1.00 0.00 H new ATOM 0 HG12 VAL A 453 39.767 15.979 -17.352 1.00 0.00 H new ATOM 0 HG13 VAL A 453 41.234 16.785 -16.747 1.00 0.00 H new ATOM 0 HG21 VAL A 453 43.191 15.126 -18.458 1.00 0.00 H new ATOM 0 HG22 VAL A 453 43.447 15.443 -16.726 1.00 0.00 H new ATOM 0 HG23 VAL A 453 43.422 13.770 -17.330 1.00 0.00 H new ATOM 579 N CYS A 454 39.100 14.811 -14.733 1.00 0.00 N ATOM 580 CA CYS A 454 37.665 14.803 -14.572 1.00 0.00 C ATOM 581 C CYS A 454 37.042 15.556 -15.728 1.00 0.00 C ATOM 582 O CYS A 454 37.028 16.793 -15.753 1.00 0.00 O ATOM 583 CB CYS A 454 37.253 15.432 -13.241 1.00 0.00 C ATOM 584 SG CYS A 454 35.458 15.424 -12.939 1.00 0.00 S ATOM 0 H CYS A 454 39.599 15.430 -14.094 1.00 0.00 H new ATOM 0 HA CYS A 454 37.312 13.772 -14.567 1.00 0.00 H new ATOM 0 HB2 CYS A 454 37.749 14.899 -12.430 1.00 0.00 H new ATOM 0 HB3 CYS A 454 37.611 16.461 -13.212 1.00 0.00 H new ATOM 0 HG CYS A 454 35.151 16.387 -12.121 1.00 0.00 H new ATOM 589 N THR A 455 36.545 14.816 -16.685 1.00 0.00 N ATOM 590 CA THR A 455 35.979 15.394 -17.877 1.00 0.00 C ATOM 591 C THR A 455 34.507 15.790 -17.670 1.00 0.00 C ATOM 592 O THR A 455 33.771 16.031 -18.631 1.00 0.00 O ATOM 593 CB THR A 455 36.134 14.429 -19.080 1.00 0.00 C ATOM 594 OG1 THR A 455 35.578 15.007 -20.272 1.00 0.00 O ATOM 595 CG2 THR A 455 35.477 13.095 -18.792 1.00 0.00 C ATOM 0 H THR A 455 36.521 13.797 -16.660 1.00 0.00 H new ATOM 0 HA THR A 455 36.532 16.307 -18.098 1.00 0.00 H new ATOM 0 HB THR A 455 37.199 14.262 -19.238 1.00 0.00 H new ATOM 0 HG1 THR A 455 34.802 15.558 -20.037 1.00 0.00 H new ATOM 0 HG21 THR A 455 35.600 12.436 -19.651 1.00 0.00 H new ATOM 0 HG22 THR A 455 35.943 12.641 -17.917 1.00 0.00 H new ATOM 0 HG23 THR A 455 34.415 13.247 -18.600 1.00 0.00 H new ATOM 603 N ARG A 456 34.089 15.877 -16.413 1.00 0.00 N ATOM 604 CA ARG A 456 32.738 16.293 -16.091 1.00 0.00 C ATOM 605 C ARG A 456 32.578 17.784 -16.348 1.00 0.00 C ATOM 606 O ARG A 456 33.440 18.587 -15.960 1.00 0.00 O ATOM 607 CB ARG A 456 32.411 15.992 -14.629 1.00 0.00 C ATOM 608 CG ARG A 456 31.095 16.594 -14.163 1.00 0.00 C ATOM 609 CD ARG A 456 30.959 16.533 -12.661 1.00 0.00 C ATOM 610 NE ARG A 456 29.822 17.316 -12.177 1.00 0.00 N ATOM 611 CZ ARG A 456 29.903 18.262 -11.232 1.00 0.00 C ATOM 612 NH1 ARG A 456 31.079 18.570 -10.682 1.00 0.00 N ATOM 613 NH2 ARG A 456 28.807 18.901 -10.843 1.00 0.00 N ATOM 0 H ARG A 456 34.670 15.664 -15.602 1.00 0.00 H new ATOM 0 HA ARG A 456 32.050 15.736 -16.727 1.00 0.00 H new ATOM 0 HB2 ARG A 456 32.377 14.912 -14.488 1.00 0.00 H new ATOM 0 HB3 ARG A 456 33.217 16.370 -14.000 1.00 0.00 H new ATOM 0 HG2 ARG A 456 31.031 17.631 -14.493 1.00 0.00 H new ATOM 0 HG3 ARG A 456 30.265 16.060 -14.626 1.00 0.00 H new ATOM 0 HD2 ARG A 456 30.842 15.495 -12.350 1.00 0.00 H new ATOM 0 HD3 ARG A 456 31.875 16.902 -12.200 1.00 0.00 H new ATOM 0 HE ARG A 456 28.907 17.129 -12.586 1.00 0.00 H new ATOM 0 HH11 ARG A 456 31.925 18.084 -10.981 1.00 0.00 H new ATOM 0 HH12 ARG A 456 31.132 19.292 -9.963 1.00 0.00 H new ATOM 0 HH21 ARG A 456 27.906 18.671 -11.263 1.00 0.00 H new ATOM 0 HH22 ARG A 456 28.865 19.622 -10.124 1.00 0.00 H new ATOM 627 N ALA A 457 31.488 18.152 -17.000 1.00 0.00 N ATOM 628 CA ALA A 457 31.205 19.544 -17.278 1.00 0.00 C ATOM 629 C ALA A 457 30.899 20.285 -15.987 1.00 0.00 C ATOM 630 O ALA A 457 30.076 19.838 -15.187 1.00 0.00 O ATOM 631 CB ALA A 457 30.045 19.671 -18.249 1.00 0.00 C ATOM 0 H ALA A 457 30.784 17.501 -17.347 1.00 0.00 H new ATOM 0 HA ALA A 457 32.086 19.991 -17.738 1.00 0.00 H new ATOM 0 HB1 ALA A 457 29.848 20.725 -18.445 1.00 0.00 H new ATOM 0 HB2 ALA A 457 30.296 19.169 -19.183 1.00 0.00 H new ATOM 0 HB3 ALA A 457 29.157 19.210 -17.817 1.00 0.00 H new ATOM 637 N GLY A 458 31.575 21.395 -15.777 1.00 0.00 N ATOM 638 CA GLY A 458 31.368 22.172 -14.575 1.00 0.00 C ATOM 639 C GLY A 458 32.407 21.875 -13.514 1.00 0.00 C ATOM 640 O GLY A 458 32.659 22.699 -12.634 1.00 0.00 O ATOM 0 H GLY A 458 32.269 21.777 -16.420 1.00 0.00 H new ATOM 0 HA2 GLY A 458 31.396 23.233 -14.821 1.00 0.00 H new ATOM 0 HA3 GLY A 458 30.375 21.964 -14.177 1.00 0.00 H new ATOM 644 N CYS A 459 33.016 20.696 -13.596 1.00 0.00 N ATOM 645 CA CYS A 459 34.033 20.303 -12.639 1.00 0.00 C ATOM 646 C CYS A 459 35.398 20.780 -13.115 1.00 0.00 C ATOM 647 O CYS A 459 35.978 21.706 -12.537 1.00 0.00 O ATOM 648 CB CYS A 459 34.039 18.779 -12.449 1.00 0.00 C ATOM 649 SG CYS A 459 34.642 18.220 -10.814 1.00 0.00 S ATOM 0 H CYS A 459 32.820 20.000 -14.316 1.00 0.00 H new ATOM 0 HA CYS A 459 33.807 20.765 -11.678 1.00 0.00 H new ATOM 0 HB2 CYS A 459 33.027 18.403 -12.597 1.00 0.00 H new ATOM 0 HB3 CYS A 459 34.661 18.331 -13.224 1.00 0.00 H new ATOM 0 HG CYS A 459 34.075 17.092 -10.505 1.00 0.00 H new ATOM 654 N GLY A 460 35.896 20.158 -14.179 1.00 0.00 N ATOM 655 CA GLY A 460 37.200 20.518 -14.720 1.00 0.00 C ATOM 656 C GLY A 460 38.303 20.305 -13.712 1.00 0.00 C ATOM 657 O GLY A 460 39.257 21.086 -13.637 1.00 0.00 O ATOM 0 H GLY A 460 35.420 19.408 -14.680 1.00 0.00 H new ATOM 0 HA2 GLY A 460 37.401 19.922 -15.610 1.00 0.00 H new ATOM 0 HA3 GLY A 460 37.189 21.563 -15.031 1.00 0.00 H new ATOM 661 N PHE A 461 38.174 19.252 -12.936 1.00 0.00 N ATOM 662 CA PHE A 461 39.123 18.951 -11.896 1.00 0.00 C ATOM 663 C PHE A 461 40.154 17.933 -12.381 1.00 0.00 C ATOM 664 O PHE A 461 39.892 17.156 -13.295 1.00 0.00 O ATOM 665 CB PHE A 461 38.385 18.429 -10.658 1.00 0.00 C ATOM 666 CG PHE A 461 39.277 18.160 -9.490 1.00 0.00 C ATOM 667 CD1 PHE A 461 39.879 19.204 -8.809 1.00 0.00 C ATOM 668 CD2 PHE A 461 39.519 16.868 -9.075 1.00 0.00 C ATOM 669 CE1 PHE A 461 40.704 18.958 -7.737 1.00 0.00 C ATOM 670 CE2 PHE A 461 40.343 16.616 -8.002 1.00 0.00 C ATOM 671 CZ PHE A 461 40.935 17.661 -7.335 1.00 0.00 C ATOM 0 H PHE A 461 37.408 18.583 -13.011 1.00 0.00 H new ATOM 0 HA PHE A 461 39.656 19.864 -11.630 1.00 0.00 H new ATOM 0 HB2 PHE A 461 37.628 19.156 -10.365 1.00 0.00 H new ATOM 0 HB3 PHE A 461 37.860 17.511 -10.921 1.00 0.00 H new ATOM 0 HD1 PHE A 461 39.699 20.222 -9.123 1.00 0.00 H new ATOM 0 HD2 PHE A 461 39.057 16.044 -9.598 1.00 0.00 H new ATOM 0 HE1 PHE A 461 41.169 19.779 -7.212 1.00 0.00 H new ATOM 0 HE2 PHE A 461 40.524 15.599 -7.685 1.00 0.00 H new ATOM 0 HZ PHE A 461 41.583 17.465 -6.494 1.00 0.00 H new ATOM 681 N GLU A 462 41.326 17.959 -11.777 1.00 0.00 N ATOM 682 CA GLU A 462 42.385 17.038 -12.124 1.00 0.00 C ATOM 683 C GLU A 462 42.924 16.366 -10.879 1.00 0.00 C ATOM 684 O GLU A 462 43.050 17.001 -9.832 1.00 0.00 O ATOM 685 CB GLU A 462 43.516 17.762 -12.835 1.00 0.00 C ATOM 686 CG GLU A 462 43.136 18.353 -14.176 1.00 0.00 C ATOM 687 CD GLU A 462 44.296 19.048 -14.830 1.00 0.00 C ATOM 688 OE1 GLU A 462 45.159 18.360 -15.401 1.00 0.00 O ATOM 689 OE2 GLU A 462 44.356 20.292 -14.772 1.00 0.00 O ATOM 0 H GLU A 462 41.568 18.617 -11.036 1.00 0.00 H new ATOM 0 HA GLU A 462 41.971 16.284 -12.793 1.00 0.00 H new ATOM 0 HB2 GLU A 462 43.881 18.561 -12.190 1.00 0.00 H new ATOM 0 HB3 GLU A 462 44.342 17.066 -12.980 1.00 0.00 H new ATOM 0 HG2 GLU A 462 42.770 17.562 -14.831 1.00 0.00 H new ATOM 0 HG3 GLU A 462 42.317 19.060 -14.042 1.00 0.00 H new ATOM 696 N TRP A 463 43.227 15.096 -10.997 1.00 0.00 N ATOM 697 CA TRP A 463 43.775 14.332 -9.896 1.00 0.00 C ATOM 698 C TRP A 463 44.656 13.217 -10.422 1.00 0.00 C ATOM 699 O TRP A 463 44.344 12.602 -11.447 1.00 0.00 O ATOM 700 CB TRP A 463 42.658 13.788 -8.983 1.00 0.00 C ATOM 701 CG TRP A 463 41.520 13.099 -9.692 1.00 0.00 C ATOM 702 CD1 TRP A 463 40.566 13.684 -10.481 1.00 0.00 C ATOM 703 CD2 TRP A 463 41.196 11.707 -9.637 1.00 0.00 C ATOM 704 NE1 TRP A 463 39.679 12.737 -10.926 1.00 0.00 N ATOM 705 CE2 TRP A 463 40.042 11.517 -10.423 1.00 0.00 C ATOM 706 CE3 TRP A 463 41.772 10.602 -9.005 1.00 0.00 C ATOM 707 CZ2 TRP A 463 39.453 10.270 -10.589 1.00 0.00 C ATOM 708 CZ3 TRP A 463 41.184 9.364 -9.173 1.00 0.00 C ATOM 709 CH2 TRP A 463 40.037 9.210 -9.957 1.00 0.00 C ATOM 0 H TRP A 463 43.102 14.561 -11.856 1.00 0.00 H new ATOM 0 HA TRP A 463 44.391 14.994 -9.287 1.00 0.00 H new ATOM 0 HB2 TRP A 463 43.100 13.087 -8.275 1.00 0.00 H new ATOM 0 HB3 TRP A 463 42.253 14.616 -8.401 1.00 0.00 H new ATOM 0 HD1 TRP A 463 40.519 14.737 -10.718 1.00 0.00 H new ATOM 0 HE1 TRP A 463 38.879 12.913 -11.533 1.00 0.00 H new ATOM 0 HE3 TRP A 463 42.658 10.714 -8.398 1.00 0.00 H new ATOM 0 HZ2 TRP A 463 38.568 10.144 -11.194 1.00 0.00 H new ATOM 0 HZ3 TRP A 463 41.617 8.500 -8.691 1.00 0.00 H new ATOM 0 HH2 TRP A 463 39.602 8.228 -10.066 1.00 0.00 H new ATOM 720 N CYS A 464 45.764 12.964 -9.747 1.00 0.00 N ATOM 721 CA CYS A 464 46.687 11.960 -10.216 1.00 0.00 C ATOM 722 C CYS A 464 46.210 10.543 -9.904 1.00 0.00 C ATOM 723 O CYS A 464 45.348 10.334 -9.062 1.00 0.00 O ATOM 724 CB CYS A 464 48.113 12.215 -9.718 1.00 0.00 C ATOM 725 SG CYS A 464 48.295 12.586 -7.942 1.00 0.00 S ATOM 0 H CYS A 464 46.039 13.435 -8.885 1.00 0.00 H new ATOM 0 HA CYS A 464 46.714 12.043 -11.303 1.00 0.00 H new ATOM 0 HB2 CYS A 464 48.718 11.338 -9.948 1.00 0.00 H new ATOM 0 HB3 CYS A 464 48.530 13.047 -10.286 1.00 0.00 H new ATOM 0 HG CYS A 464 49.093 11.717 -7.397 1.00 0.00 H new ATOM 730 N TRP A 465 46.778 9.587 -10.607 1.00 0.00 N ATOM 731 CA TRP A 465 46.395 8.187 -10.478 1.00 0.00 C ATOM 732 C TRP A 465 46.754 7.612 -9.105 1.00 0.00 C ATOM 733 O TRP A 465 45.884 7.129 -8.383 1.00 0.00 O ATOM 734 CB TRP A 465 47.083 7.386 -11.575 1.00 0.00 C ATOM 735 CG TRP A 465 46.710 5.951 -11.624 1.00 0.00 C ATOM 736 CD1 TRP A 465 47.190 4.948 -10.839 1.00 0.00 C ATOM 737 CD2 TRP A 465 45.800 5.356 -12.532 1.00 0.00 C ATOM 738 NE1 TRP A 465 46.599 3.761 -11.188 1.00 0.00 N ATOM 739 CE2 TRP A 465 45.743 3.986 -12.233 1.00 0.00 C ATOM 740 CE3 TRP A 465 45.015 5.856 -13.568 1.00 0.00 C ATOM 741 CZ2 TRP A 465 44.929 3.108 -12.937 1.00 0.00 C ATOM 742 CZ3 TRP A 465 44.214 4.987 -14.266 1.00 0.00 C ATOM 743 CH2 TRP A 465 44.173 3.625 -13.948 1.00 0.00 C ATOM 0 H TRP A 465 47.520 9.753 -11.287 1.00 0.00 H new ATOM 0 HA TRP A 465 45.312 8.119 -10.578 1.00 0.00 H new ATOM 0 HB2 TRP A 465 46.850 7.841 -12.538 1.00 0.00 H new ATOM 0 HB3 TRP A 465 48.162 7.462 -11.439 1.00 0.00 H new ATOM 0 HD1 TRP A 465 47.926 5.069 -10.058 1.00 0.00 H new ATOM 0 HE1 TRP A 465 46.769 2.859 -10.743 1.00 0.00 H new ATOM 0 HE3 TRP A 465 45.036 6.907 -13.817 1.00 0.00 H new ATOM 0 HZ2 TRP A 465 44.896 2.056 -12.693 1.00 0.00 H new ATOM 0 HZ3 TRP A 465 43.604 5.361 -15.075 1.00 0.00 H new ATOM 0 HH2 TRP A 465 43.529 2.969 -14.515 1.00 0.00 H new ATOM 754 N VAL A 466 48.045 7.634 -8.777 1.00 0.00 N ATOM 755 CA VAL A 466 48.529 7.092 -7.500 1.00 0.00 C ATOM 756 C VAL A 466 47.864 7.787 -6.309 1.00 0.00 C ATOM 757 O VAL A 466 47.423 7.131 -5.361 1.00 0.00 O ATOM 758 CB VAL A 466 50.067 7.221 -7.373 1.00 0.00 C ATOM 759 CG1 VAL A 466 50.565 6.634 -6.061 1.00 0.00 C ATOM 760 CG2 VAL A 466 50.767 6.566 -8.554 1.00 0.00 C ATOM 0 H VAL A 466 48.777 8.020 -9.374 1.00 0.00 H new ATOM 0 HA VAL A 466 48.262 6.035 -7.489 1.00 0.00 H new ATOM 0 HB VAL A 466 50.310 8.284 -7.378 1.00 0.00 H new ATOM 0 HG11 VAL A 466 51.648 6.740 -6.003 1.00 0.00 H new ATOM 0 HG12 VAL A 466 50.103 7.163 -5.227 1.00 0.00 H new ATOM 0 HG13 VAL A 466 50.301 5.578 -6.012 1.00 0.00 H new ATOM 0 HG21 VAL A 466 51.846 6.670 -8.441 1.00 0.00 H new ATOM 0 HG22 VAL A 466 50.507 5.508 -8.590 1.00 0.00 H new ATOM 0 HG23 VAL A 466 50.451 7.049 -9.478 1.00 0.00 H new ATOM 770 N CYS A 467 47.791 9.108 -6.364 1.00 0.00 N ATOM 771 CA CYS A 467 47.183 9.876 -5.295 1.00 0.00 C ATOM 772 C CYS A 467 45.749 10.231 -5.655 1.00 0.00 C ATOM 773 O CYS A 467 45.514 11.222 -6.334 1.00 0.00 O ATOM 774 CB CYS A 467 47.968 11.165 -5.058 1.00 0.00 C ATOM 775 SG CYS A 467 49.782 10.955 -4.956 1.00 0.00 S ATOM 0 H CYS A 467 48.146 9.668 -7.139 1.00 0.00 H new ATOM 0 HA CYS A 467 47.194 9.270 -4.389 1.00 0.00 H new ATOM 0 HB2 CYS A 467 47.743 11.864 -5.864 1.00 0.00 H new ATOM 0 HB3 CYS A 467 47.617 11.622 -4.133 1.00 0.00 H new ATOM 0 HG CYS A 467 50.241 10.578 -6.112 1.00 0.00 H new ATOM 780 N GLN A 468 44.799 9.425 -5.209 1.00 0.00 N ATOM 781 CA GLN A 468 43.391 9.686 -5.496 1.00 0.00 C ATOM 782 C GLN A 468 42.880 10.866 -4.672 1.00 0.00 C ATOM 783 O GLN A 468 42.122 10.699 -3.714 1.00 0.00 O ATOM 784 CB GLN A 468 42.532 8.444 -5.244 1.00 0.00 C ATOM 785 CG GLN A 468 42.870 7.270 -6.145 1.00 0.00 C ATOM 786 CD GLN A 468 41.952 6.086 -5.924 1.00 0.00 C ATOM 787 OE1 GLN A 468 40.911 5.956 -6.574 1.00 0.00 O ATOM 788 NE2 GLN A 468 42.322 5.221 -5.004 1.00 0.00 N ATOM 0 H GLN A 468 44.972 8.589 -4.650 1.00 0.00 H new ATOM 0 HA GLN A 468 43.311 9.941 -6.553 1.00 0.00 H new ATOM 0 HB2 GLN A 468 42.650 8.138 -4.205 1.00 0.00 H new ATOM 0 HB3 GLN A 468 41.483 8.705 -5.382 1.00 0.00 H new ATOM 0 HG2 GLN A 468 42.806 7.585 -7.186 1.00 0.00 H new ATOM 0 HG3 GLN A 468 43.901 6.964 -5.967 1.00 0.00 H new ATOM 0 HE21 GLN A 468 43.190 5.365 -4.489 1.00 0.00 H new ATOM 0 HE22 GLN A 468 41.740 4.407 -4.806 1.00 0.00 H new ATOM 797 N THR A 469 43.329 12.041 -5.040 1.00 0.00 N ATOM 798 CA THR A 469 42.970 13.269 -4.383 1.00 0.00 C ATOM 799 C THR A 469 43.489 14.435 -5.221 1.00 0.00 C ATOM 800 O THR A 469 43.989 14.225 -6.322 1.00 0.00 O ATOM 801 CB THR A 469 43.555 13.332 -2.936 1.00 0.00 C ATOM 802 OG1 THR A 469 43.073 14.498 -2.249 1.00 0.00 O ATOM 803 CG2 THR A 469 45.083 13.343 -2.957 1.00 0.00 C ATOM 0 H THR A 469 43.969 12.170 -5.823 1.00 0.00 H new ATOM 0 HA THR A 469 41.885 13.325 -4.294 1.00 0.00 H new ATOM 0 HB THR A 469 43.223 12.439 -2.406 1.00 0.00 H new ATOM 0 HG1 THR A 469 43.447 14.522 -1.344 1.00 0.00 H new ATOM 0 HG21 THR A 469 45.461 13.387 -1.935 1.00 0.00 H new ATOM 0 HG22 THR A 469 45.447 12.436 -3.439 1.00 0.00 H new ATOM 0 HG23 THR A 469 45.433 14.214 -3.511 1.00 0.00 H new ATOM 811 N GLU A 470 43.377 15.643 -4.713 1.00 0.00 N ATOM 812 CA GLU A 470 43.826 16.809 -5.450 1.00 0.00 C ATOM 813 C GLU A 470 45.342 16.808 -5.596 1.00 0.00 C ATOM 814 O GLU A 470 46.068 16.366 -4.694 1.00 0.00 O ATOM 815 CB GLU A 470 43.320 18.100 -4.795 1.00 0.00 C ATOM 816 CG GLU A 470 43.751 18.283 -3.353 1.00 0.00 C ATOM 817 CD GLU A 470 42.939 19.345 -2.643 1.00 0.00 C ATOM 818 OE1 GLU A 470 43.104 20.542 -2.960 1.00 0.00 O ATOM 819 OE2 GLU A 470 42.129 18.994 -1.775 1.00 0.00 O ATOM 0 H GLU A 470 42.980 15.846 -3.795 1.00 0.00 H new ATOM 0 HA GLU A 470 43.401 16.764 -6.453 1.00 0.00 H new ATOM 0 HB2 GLU A 470 43.673 18.951 -5.378 1.00 0.00 H new ATOM 0 HB3 GLU A 470 42.231 18.113 -4.840 1.00 0.00 H new ATOM 0 HG2 GLU A 470 43.650 17.336 -2.823 1.00 0.00 H new ATOM 0 HG3 GLU A 470 44.806 18.554 -3.323 1.00 0.00 H new ATOM 826 N TRP A 471 45.804 17.295 -6.739 1.00 0.00 N ATOM 827 CA TRP A 471 47.221 17.307 -7.073 1.00 0.00 C ATOM 828 C TRP A 471 48.052 18.018 -6.008 1.00 0.00 C ATOM 829 O TRP A 471 47.610 18.998 -5.392 1.00 0.00 O ATOM 830 CB TRP A 471 47.448 17.953 -8.456 1.00 0.00 C ATOM 831 CG TRP A 471 47.151 19.428 -8.512 1.00 0.00 C ATOM 832 CD1 TRP A 471 48.043 20.447 -8.335 1.00 0.00 C ATOM 833 CD2 TRP A 471 45.883 20.049 -8.771 1.00 0.00 C ATOM 834 NE1 TRP A 471 47.409 21.657 -8.458 1.00 0.00 N ATOM 835 CE2 TRP A 471 46.084 21.441 -8.726 1.00 0.00 C ATOM 836 CE3 TRP A 471 44.600 19.562 -9.032 1.00 0.00 C ATOM 837 CZ2 TRP A 471 45.050 22.350 -8.935 1.00 0.00 C ATOM 838 CZ3 TRP A 471 43.574 20.467 -9.239 1.00 0.00 C ATOM 839 CH2 TRP A 471 43.805 21.846 -9.189 1.00 0.00 C ATOM 0 H TRP A 471 45.205 17.694 -7.462 1.00 0.00 H new ATOM 0 HA TRP A 471 47.555 16.270 -7.110 1.00 0.00 H new ATOM 0 HB2 TRP A 471 48.485 17.792 -8.752 1.00 0.00 H new ATOM 0 HB3 TRP A 471 46.824 17.441 -9.189 1.00 0.00 H new ATOM 0 HD1 TRP A 471 49.095 20.319 -8.128 1.00 0.00 H new ATOM 0 HE1 TRP A 471 47.853 22.570 -8.365 1.00 0.00 H new ATOM 0 HE3 TRP A 471 44.412 18.499 -9.071 1.00 0.00 H new ATOM 0 HZ2 TRP A 471 45.225 23.415 -8.898 1.00 0.00 H new ATOM 0 HZ3 TRP A 471 42.578 20.103 -9.443 1.00 0.00 H new ATOM 0 HH2 TRP A 471 42.983 22.526 -9.354 1.00 0.00 H new ATOM 850 N THR A 472 49.246 17.519 -5.790 1.00 0.00 N ATOM 851 CA THR A 472 50.145 18.096 -4.825 1.00 0.00 C ATOM 852 C THR A 472 51.468 18.444 -5.493 1.00 0.00 C ATOM 853 O THR A 472 51.788 17.928 -6.565 1.00 0.00 O ATOM 854 CB THR A 472 50.381 17.138 -3.621 1.00 0.00 C ATOM 855 OG1 THR A 472 51.323 17.708 -2.705 1.00 0.00 O ATOM 856 CG2 THR A 472 50.884 15.783 -4.088 1.00 0.00 C ATOM 0 H THR A 472 49.619 16.704 -6.276 1.00 0.00 H new ATOM 0 HA THR A 472 49.687 19.006 -4.437 1.00 0.00 H new ATOM 0 HB THR A 472 49.425 16.999 -3.117 1.00 0.00 H new ATOM 0 HG1 THR A 472 51.460 17.095 -1.953 1.00 0.00 H new ATOM 0 HG21 THR A 472 51.040 15.136 -3.225 1.00 0.00 H new ATOM 0 HG22 THR A 472 50.148 15.331 -4.753 1.00 0.00 H new ATOM 0 HG23 THR A 472 51.826 15.909 -4.622 1.00 0.00 H new ATOM 864 N ARG A 473 52.227 19.321 -4.863 1.00 0.00 N ATOM 865 CA ARG A 473 53.506 19.751 -5.402 1.00 0.00 C ATOM 866 C ARG A 473 54.593 18.732 -5.090 1.00 0.00 C ATOM 867 O ARG A 473 55.728 18.863 -5.543 1.00 0.00 O ATOM 868 CB ARG A 473 53.892 21.132 -4.854 1.00 0.00 C ATOM 869 CG ARG A 473 53.279 22.318 -5.611 1.00 0.00 C ATOM 870 CD ARG A 473 51.757 22.252 -5.664 1.00 0.00 C ATOM 871 NE ARG A 473 51.146 22.251 -4.332 1.00 0.00 N ATOM 872 CZ ARG A 473 49.876 21.909 -4.087 1.00 0.00 C ATOM 873 NH1 ARG A 473 49.082 21.537 -5.086 1.00 0.00 N ATOM 874 NH2 ARG A 473 49.406 21.942 -2.850 1.00 0.00 N ATOM 0 H ARG A 473 51.979 19.752 -3.973 1.00 0.00 H new ATOM 0 HA ARG A 473 53.407 19.827 -6.485 1.00 0.00 H new ATOM 0 HB2 ARG A 473 53.589 21.190 -3.809 1.00 0.00 H new ATOM 0 HB3 ARG A 473 54.978 21.226 -4.877 1.00 0.00 H new ATOM 0 HG2 ARG A 473 53.583 23.248 -5.130 1.00 0.00 H new ATOM 0 HG3 ARG A 473 53.674 22.340 -6.627 1.00 0.00 H new ATOM 0 HD2 ARG A 473 51.380 23.102 -6.232 1.00 0.00 H new ATOM 0 HD3 ARG A 473 51.455 21.352 -6.199 1.00 0.00 H new ATOM 0 HE ARG A 473 51.726 22.529 -3.541 1.00 0.00 H new ATOM 0 HH11 ARG A 473 49.441 21.512 -6.040 1.00 0.00 H new ATOM 0 HH12 ARG A 473 48.114 21.276 -4.898 1.00 0.00 H new ATOM 0 HH21 ARG A 473 50.012 22.229 -2.082 1.00 0.00 H new ATOM 0 HH22 ARG A 473 48.437 21.681 -2.665 1.00 0.00 H new ATOM 888 N ASP A 474 54.232 17.714 -4.324 1.00 0.00 N ATOM 889 CA ASP A 474 55.171 16.661 -3.954 1.00 0.00 C ATOM 890 C ASP A 474 55.473 15.752 -5.143 1.00 0.00 C ATOM 891 O ASP A 474 56.631 15.480 -5.445 1.00 0.00 O ATOM 892 CB ASP A 474 54.628 15.842 -2.786 1.00 0.00 C ATOM 893 CG ASP A 474 55.577 14.741 -2.374 1.00 0.00 C ATOM 894 OD1 ASP A 474 56.618 15.048 -1.758 1.00 0.00 O ATOM 895 OD2 ASP A 474 55.283 13.560 -2.655 1.00 0.00 O ATOM 0 H ASP A 474 53.293 17.593 -3.944 1.00 0.00 H new ATOM 0 HA ASP A 474 56.101 17.137 -3.644 1.00 0.00 H new ATOM 0 HB2 ASP A 474 54.446 16.500 -1.936 1.00 0.00 H new ATOM 0 HB3 ASP A 474 53.668 15.407 -3.064 1.00 0.00 H new ATOM 900 N CYS A 475 54.430 15.291 -5.814 1.00 0.00 N ATOM 901 CA CYS A 475 54.597 14.433 -6.980 1.00 0.00 C ATOM 902 C CYS A 475 54.398 15.221 -8.267 1.00 0.00 C ATOM 903 O CYS A 475 54.072 14.662 -9.312 1.00 0.00 O ATOM 904 CB CYS A 475 53.639 13.243 -6.912 1.00 0.00 C ATOM 905 SG CYS A 475 51.902 13.640 -6.481 1.00 0.00 S ATOM 0 H CYS A 475 53.460 15.495 -5.574 1.00 0.00 H new ATOM 0 HA CYS A 475 55.617 14.049 -6.979 1.00 0.00 H new ATOM 0 HB2 CYS A 475 53.647 12.738 -7.878 1.00 0.00 H new ATOM 0 HB3 CYS A 475 54.022 12.534 -6.179 1.00 0.00 H new ATOM 0 HG CYS A 475 51.331 12.590 -5.969 1.00 0.00 H new ATOM 910 N MET A 476 54.625 16.515 -8.186 1.00 0.00 N ATOM 911 CA MET A 476 54.471 17.392 -9.328 1.00 0.00 C ATOM 912 C MET A 476 55.532 17.100 -10.381 1.00 0.00 C ATOM 913 O MET A 476 56.725 17.302 -10.152 1.00 0.00 O ATOM 914 CB MET A 476 54.532 18.854 -8.884 1.00 0.00 C ATOM 915 CG MET A 476 54.337 19.857 -10.006 1.00 0.00 C ATOM 916 SD MET A 476 54.348 21.566 -9.424 1.00 0.00 S ATOM 917 CE MET A 476 56.031 21.712 -8.819 1.00 0.00 C ATOM 0 H MET A 476 54.920 16.987 -7.331 1.00 0.00 H new ATOM 0 HA MET A 476 53.495 17.208 -9.777 1.00 0.00 H new ATOM 0 HB2 MET A 476 53.768 19.023 -8.125 1.00 0.00 H new ATOM 0 HB3 MET A 476 55.497 19.038 -8.412 1.00 0.00 H new ATOM 0 HG2 MET A 476 55.126 19.725 -10.747 1.00 0.00 H new ATOM 0 HG3 MET A 476 53.391 19.655 -10.508 1.00 0.00 H new ATOM 0 HE1 MET A 476 56.294 22.766 -8.727 1.00 0.00 H new ATOM 0 HE2 MET A 476 56.110 21.231 -7.844 1.00 0.00 H new ATOM 0 HE3 MET A 476 56.712 21.228 -9.518 1.00 0.00 H new ATOM 927 N GLY A 477 55.086 16.608 -11.522 1.00 0.00 N ATOM 928 CA GLY A 477 55.984 16.282 -12.601 1.00 0.00 C ATOM 929 C GLY A 477 56.121 14.788 -12.781 1.00 0.00 C ATOM 930 O GLY A 477 55.515 14.201 -13.685 1.00 0.00 O ATOM 0 H GLY A 477 54.102 16.427 -11.721 1.00 0.00 H new ATOM 0 HA2 GLY A 477 55.619 16.728 -13.526 1.00 0.00 H new ATOM 0 HA3 GLY A 477 56.964 16.716 -12.403 1.00 0.00 H new ATOM 934 N ALA A 478 56.891 14.170 -11.903 1.00 0.00 N ATOM 935 CA ALA A 478 57.141 12.732 -11.948 1.00 0.00 C ATOM 936 C ALA A 478 55.961 11.936 -11.387 1.00 0.00 C ATOM 937 O ALA A 478 56.108 11.204 -10.402 1.00 0.00 O ATOM 938 CB ALA A 478 58.399 12.409 -11.159 1.00 0.00 C ATOM 0 H ALA A 478 57.363 14.648 -11.136 1.00 0.00 H new ATOM 0 HA ALA A 478 57.272 12.445 -12.991 1.00 0.00 H new ATOM 0 HB1 ALA A 478 58.584 11.335 -11.193 1.00 0.00 H new ATOM 0 HB2 ALA A 478 59.247 12.938 -11.594 1.00 0.00 H new ATOM 0 HB3 ALA A 478 58.269 12.722 -10.123 1.00 0.00 H new ATOM 944 N HIS A 479 54.797 12.073 -12.013 1.00 0.00 N ATOM 945 CA HIS A 479 53.598 11.378 -11.551 1.00 0.00 C ATOM 946 C HIS A 479 52.442 11.605 -12.507 1.00 0.00 C ATOM 947 O HIS A 479 51.642 10.701 -12.742 1.00 0.00 O ATOM 948 CB HIS A 479 53.229 11.872 -10.150 1.00 0.00 C ATOM 949 CG HIS A 479 52.167 11.097 -9.430 1.00 0.00 C ATOM 950 ND1 HIS A 479 51.020 10.609 -10.011 1.00 0.00 N ATOM 951 CD2 HIS A 479 52.083 10.782 -8.121 1.00 0.00 C ATOM 952 CE1 HIS A 479 50.293 10.042 -9.051 1.00 0.00 C ATOM 953 NE2 HIS A 479 50.894 10.124 -7.884 1.00 0.00 N ATOM 0 H HIS A 479 54.657 12.656 -12.838 1.00 0.00 H new ATOM 0 HA HIS A 479 53.804 10.308 -11.516 1.00 0.00 H new ATOM 0 HB2 HIS A 479 54.130 11.867 -9.537 1.00 0.00 H new ATOM 0 HB3 HIS A 479 52.902 12.909 -10.228 1.00 0.00 H new ATOM 0 HD1 HIS A 479 50.772 10.670 -10.998 1.00 0.00 H new ATOM 0 HD2 HIS A 479 52.830 11.009 -7.375 1.00 0.00 H new ATOM 0 HE1 HIS A 479 49.333 9.574 -9.210 1.00 0.00 H new ATOM 961 N TRP A 480 52.339 12.817 -13.053 1.00 0.00 N ATOM 962 CA TRP A 480 51.247 13.131 -13.969 1.00 0.00 C ATOM 963 C TRP A 480 51.371 12.296 -15.233 1.00 0.00 C ATOM 964 O TRP A 480 50.401 11.745 -15.726 1.00 0.00 O ATOM 965 CB TRP A 480 51.233 14.613 -14.365 1.00 0.00 C ATOM 966 CG TRP A 480 51.506 15.597 -13.262 1.00 0.00 C ATOM 967 CD1 TRP A 480 52.334 16.668 -13.346 1.00 0.00 C ATOM 968 CD2 TRP A 480 50.959 15.617 -11.924 1.00 0.00 C ATOM 969 NE1 TRP A 480 52.345 17.356 -12.168 1.00 0.00 N ATOM 970 CE2 TRP A 480 51.517 16.738 -11.276 1.00 0.00 C ATOM 971 CE3 TRP A 480 50.063 14.811 -11.210 1.00 0.00 C ATOM 972 CZ2 TRP A 480 51.214 17.073 -9.961 1.00 0.00 C ATOM 973 CZ3 TRP A 480 49.768 15.154 -9.900 1.00 0.00 C ATOM 974 CH2 TRP A 480 50.342 16.271 -9.292 1.00 0.00 C ATOM 0 H TRP A 480 52.988 13.585 -12.880 1.00 0.00 H new ATOM 0 HA TRP A 480 50.318 12.903 -13.446 1.00 0.00 H new ATOM 0 HB2 TRP A 480 51.973 14.765 -15.151 1.00 0.00 H new ATOM 0 HB3 TRP A 480 50.259 14.843 -14.796 1.00 0.00 H new ATOM 0 HD1 TRP A 480 52.904 16.938 -14.222 1.00 0.00 H new ATOM 0 HE1 TRP A 480 52.887 18.200 -11.983 1.00 0.00 H new ATOM 0 HE3 TRP A 480 49.613 13.943 -11.669 1.00 0.00 H new ATOM 0 HZ2 TRP A 480 51.655 17.938 -9.488 1.00 0.00 H new ATOM 0 HZ3 TRP A 480 49.078 14.543 -9.337 1.00 0.00 H new ATOM 0 HH2 TRP A 480 50.089 16.504 -8.268 1.00 0.00 H new ATOM 985 N PHE A 481 52.576 12.214 -15.752 1.00 0.00 N ATOM 986 CA PHE A 481 52.821 11.469 -16.968 1.00 0.00 C ATOM 987 C PHE A 481 52.992 9.989 -16.665 1.00 0.00 C ATOM 988 O PHE A 481 52.459 9.135 -17.376 1.00 0.00 O ATOM 989 CB PHE A 481 54.052 12.017 -17.685 1.00 0.00 C ATOM 990 CG PHE A 481 53.981 13.500 -17.937 1.00 0.00 C ATOM 991 CD1 PHE A 481 53.293 13.996 -19.030 1.00 0.00 C ATOM 992 CD2 PHE A 481 54.595 14.395 -17.073 1.00 0.00 C ATOM 993 CE1 PHE A 481 53.218 15.356 -19.260 1.00 0.00 C ATOM 994 CE2 PHE A 481 54.524 15.756 -17.298 1.00 0.00 C ATOM 995 CZ PHE A 481 53.835 16.237 -18.393 1.00 0.00 C ATOM 0 H PHE A 481 53.403 12.655 -15.350 1.00 0.00 H new ATOM 0 HA PHE A 481 51.958 11.584 -17.624 1.00 0.00 H new ATOM 0 HB2 PHE A 481 54.939 11.798 -17.090 1.00 0.00 H new ATOM 0 HB3 PHE A 481 54.171 11.499 -18.636 1.00 0.00 H new ATOM 0 HD1 PHE A 481 52.809 13.312 -19.711 1.00 0.00 H new ATOM 0 HD2 PHE A 481 55.135 14.023 -16.215 1.00 0.00 H new ATOM 0 HE1 PHE A 481 52.677 15.730 -20.117 1.00 0.00 H new ATOM 0 HE2 PHE A 481 55.007 16.443 -16.618 1.00 0.00 H new ATOM 0 HZ PHE A 481 53.778 17.301 -18.572 1.00 0.00 H new ATOM 1005 N GLY A 482 53.710 9.700 -15.597 1.00 0.00 N ATOM 1006 CA GLY A 482 53.954 8.337 -15.206 1.00 0.00 C ATOM 1007 C GLY A 482 55.133 8.244 -14.278 1.00 0.00 C ATOM 1008 O GLY A 482 55.814 7.201 -14.270 1.00 0.00 O ATOM 1009 OXT GLY A 482 55.401 9.237 -13.568 1.00 0.00 O ATOM 0 H GLY A 482 54.134 10.399 -14.986 1.00 0.00 H new ATOM 0 HA2 GLY A 482 53.069 7.932 -14.716 1.00 0.00 H new ATOM 0 HA3 GLY A 482 54.135 7.728 -16.092 1.00 0.00 H new