USER MOD reduce.3.24.130724 H: found=0, std=0, add=484, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 482 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 Single : A 0 SER OG : rot 46:sc= 0.119 USER MOD Single : A -1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 425 SER OG : rot 84:sc= 1.25 USER MOD Single : A 426 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 428 THR OG1 : rot -22:sc= 0.007 USER MOD Single : A 430 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 432 SER OG : rot -33:sc= 0.34 USER MOD Single : A 433 THR OG1 : rot 180:sc= 0 USER MOD Single : A 434 LYS NZ :NH3+ 158:sc= -0.0368 (180deg=-0.308) USER MOD Single : A 438 LYS NZ :NH3+ 163:sc= -0.0457 (180deg=-0.326) USER MOD Single : A 441 THR OG1 : rot -107:sc= 1.32 USER MOD Single : A 443 THR OG1 : rot 180:sc= 0 USER MOD Single : A 449 CYS SG : rot -53:sc= 1.38 USER MOD Single : A 450 MET CE :methyl 165:sc= 0 (180deg=-0.595) USER MOD Single : A 451 HIS : no HE2:sc= -1.06 K(o=-1.1,f=-8.3!) USER MOD Single : A 452 MET CE :methyl -115:sc= -1.06 (180deg=-6.11!) USER MOD Single : A 455 THR OG1 : rot -15:sc= 1.1 USER MOD Single : A 468 GLN : amide:sc= 0 K(o=0,f=-0.7) USER MOD Single : A 469 THR OG1 : rot 180:sc= 0 USER MOD Single : A 472 THR OG1 : rot 180:sc= 0 USER MOD Single : A 476 MET CE :methyl -141:sc= -0.175 (180deg=-0.89) USER MOD Single : A 479 HIS :FLIP no HD1:sc= -5.05! C(o=-7.1!,f=-5.1!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -1 14.353 -36.518 -16.045 1.00 0.00 N ATOM 2 CA GLY A -1 15.826 -36.471 -16.124 1.00 0.00 C ATOM 3 C GLY A -1 16.354 -35.074 -15.905 1.00 0.00 C ATOM 4 O GLY A -1 16.314 -34.241 -16.812 1.00 0.00 O ATOM 0 H1 GLY A -1 14.028 -37.494 -16.201 1.00 0.00 H new ATOM 0 H2 GLY A -1 14.045 -36.196 -15.105 1.00 0.00 H new ATOM 0 H3 GLY A -1 13.946 -35.897 -16.774 1.00 0.00 H new ATOM 0 HA2 GLY A -1 16.252 -37.142 -15.378 1.00 0.00 H new ATOM 0 HA3 GLY A -1 16.150 -36.833 -17.100 1.00 0.00 H new ATOM 10 N SER A 0 16.843 -34.808 -14.709 1.00 0.00 N ATOM 11 CA SER A 0 17.347 -33.497 -14.370 1.00 0.00 C ATOM 12 C SER A 0 18.842 -33.381 -14.663 1.00 0.00 C ATOM 13 O SER A 0 19.680 -33.886 -13.911 1.00 0.00 O ATOM 14 CB SER A 0 17.051 -33.179 -12.899 1.00 0.00 C ATOM 15 OG SER A 0 17.424 -34.259 -12.053 1.00 0.00 O ATOM 0 H SER A 0 16.901 -35.490 -13.953 1.00 0.00 H new ATOM 0 HA SER A 0 16.835 -32.765 -14.995 1.00 0.00 H new ATOM 0 HB2 SER A 0 17.591 -32.279 -12.603 1.00 0.00 H new ATOM 0 HB3 SER A 0 15.989 -32.968 -12.777 1.00 0.00 H new ATOM 0 HG SER A 0 18.312 -34.584 -12.310 1.00 0.00 H new ATOM 21 N ALA A 417 19.166 -32.737 -15.769 1.00 0.00 N ATOM 22 CA ALA A 417 20.547 -32.523 -16.145 1.00 0.00 C ATOM 23 C ALA A 417 21.073 -31.261 -15.483 1.00 0.00 C ATOM 24 O ALA A 417 20.959 -30.157 -16.032 1.00 0.00 O ATOM 25 CB ALA A 417 20.687 -32.444 -17.657 1.00 0.00 C ATOM 0 H ALA A 417 18.486 -32.352 -16.424 1.00 0.00 H new ATOM 0 HA ALA A 417 21.141 -33.369 -15.801 1.00 0.00 H new ATOM 0 HB1 ALA A 417 21.733 -32.283 -17.918 1.00 0.00 H new ATOM 0 HB2 ALA A 417 20.341 -33.376 -18.104 1.00 0.00 H new ATOM 0 HB3 ALA A 417 20.087 -31.616 -18.035 1.00 0.00 H new ATOM 31 N GLU A 418 21.605 -31.418 -14.292 1.00 0.00 N ATOM 32 CA GLU A 418 22.124 -30.300 -13.524 1.00 0.00 C ATOM 33 C GLU A 418 23.627 -30.421 -13.373 1.00 0.00 C ATOM 34 O GLU A 418 24.176 -31.529 -13.390 1.00 0.00 O ATOM 35 CB GLU A 418 21.490 -30.275 -12.132 1.00 0.00 C ATOM 36 CG GLU A 418 19.976 -30.332 -12.127 1.00 0.00 C ATOM 37 CD GLU A 418 19.411 -30.338 -10.726 1.00 0.00 C ATOM 38 OE1 GLU A 418 19.538 -31.368 -10.029 1.00 0.00 O ATOM 39 OE2 GLU A 418 18.842 -29.311 -10.305 1.00 0.00 O ATOM 0 H GLU A 418 21.692 -32.321 -13.826 1.00 0.00 H new ATOM 0 HA GLU A 418 21.881 -29.380 -14.055 1.00 0.00 H new ATOM 0 HB2 GLU A 418 21.874 -31.118 -11.557 1.00 0.00 H new ATOM 0 HB3 GLU A 418 21.808 -29.368 -11.619 1.00 0.00 H new ATOM 0 HG2 GLU A 418 19.580 -29.476 -12.673 1.00 0.00 H new ATOM 0 HG3 GLU A 418 19.646 -31.227 -12.654 1.00 0.00 H new ATOM 46 N ALA A 419 24.294 -29.297 -13.219 1.00 0.00 N ATOM 47 CA ALA A 419 25.718 -29.301 -12.990 1.00 0.00 C ATOM 48 C ALA A 419 25.990 -29.345 -11.505 1.00 0.00 C ATOM 49 O ALA A 419 25.067 -29.202 -10.690 1.00 0.00 O ATOM 50 CB ALA A 419 26.380 -28.082 -13.607 1.00 0.00 C ATOM 0 H ALA A 419 23.870 -28.370 -13.249 1.00 0.00 H new ATOM 0 HA ALA A 419 26.141 -30.186 -13.466 1.00 0.00 H new ATOM 0 HB1 ALA A 419 27.453 -28.115 -13.417 1.00 0.00 H new ATOM 0 HB2 ALA A 419 26.202 -28.077 -14.682 1.00 0.00 H new ATOM 0 HB3 ALA A 419 25.961 -27.178 -13.166 1.00 0.00 H new ATOM 56 N ARG A 420 27.231 -29.536 -11.146 1.00 0.00 N ATOM 57 CA ARG A 420 27.607 -29.608 -9.754 1.00 0.00 C ATOM 58 C ARG A 420 27.672 -28.210 -9.151 1.00 0.00 C ATOM 59 O ARG A 420 27.210 -27.985 -8.034 1.00 0.00 O ATOM 60 CB ARG A 420 28.940 -30.324 -9.614 1.00 0.00 C ATOM 61 CG ARG A 420 29.306 -30.681 -8.180 1.00 0.00 C ATOM 62 CD ARG A 420 28.260 -31.583 -7.533 1.00 0.00 C ATOM 63 NE ARG A 420 28.607 -31.907 -6.152 1.00 0.00 N ATOM 64 CZ ARG A 420 27.731 -32.286 -5.213 1.00 0.00 C ATOM 65 NH1 ARG A 420 26.437 -32.415 -5.510 1.00 0.00 N ATOM 66 NH2 ARG A 420 28.158 -32.541 -3.980 1.00 0.00 N ATOM 0 H ARG A 420 28.006 -29.646 -11.801 1.00 0.00 H new ATOM 0 HA ARG A 420 26.853 -30.176 -9.209 1.00 0.00 H new ATOM 0 HB2 ARG A 420 28.914 -31.237 -10.209 1.00 0.00 H new ATOM 0 HB3 ARG A 420 29.725 -29.693 -10.032 1.00 0.00 H new ATOM 0 HG2 ARG A 420 30.275 -31.181 -8.166 1.00 0.00 H new ATOM 0 HG3 ARG A 420 29.410 -29.768 -7.594 1.00 0.00 H new ATOM 0 HD2 ARG A 420 27.288 -31.090 -7.558 1.00 0.00 H new ATOM 0 HD3 ARG A 420 28.165 -32.503 -8.110 1.00 0.00 H new ATOM 0 HE ARG A 420 29.589 -31.840 -5.883 1.00 0.00 H new ATOM 0 HH11 ARG A 420 26.110 -32.225 -6.457 1.00 0.00 H new ATOM 0 HH12 ARG A 420 25.775 -32.704 -4.790 1.00 0.00 H new ATOM 0 HH21 ARG A 420 29.148 -32.448 -3.754 1.00 0.00 H new ATOM 0 HH22 ARG A 420 27.495 -32.830 -3.260 1.00 0.00 H new ATOM 80 N TRP A 421 28.241 -27.276 -9.901 1.00 0.00 N ATOM 81 CA TRP A 421 28.327 -25.883 -9.479 1.00 0.00 C ATOM 82 C TRP A 421 28.569 -24.994 -10.686 1.00 0.00 C ATOM 83 O TRP A 421 28.889 -25.490 -11.767 1.00 0.00 O ATOM 84 CB TRP A 421 29.438 -25.676 -8.421 1.00 0.00 C ATOM 85 CG TRP A 421 30.829 -26.026 -8.882 1.00 0.00 C ATOM 86 CD1 TRP A 421 31.581 -25.360 -9.806 1.00 0.00 C ATOM 87 CD2 TRP A 421 31.642 -27.111 -8.418 1.00 0.00 C ATOM 88 NE1 TRP A 421 32.795 -25.973 -9.959 1.00 0.00 N ATOM 89 CE2 TRP A 421 32.861 -27.047 -9.117 1.00 0.00 C ATOM 90 CE3 TRP A 421 31.453 -28.131 -7.487 1.00 0.00 C ATOM 91 CZ2 TRP A 421 33.888 -27.965 -8.910 1.00 0.00 C ATOM 92 CZ3 TRP A 421 32.473 -29.042 -7.282 1.00 0.00 C ATOM 93 CH2 TRP A 421 33.676 -28.952 -7.992 1.00 0.00 C ATOM 0 H TRP A 421 28.654 -27.460 -10.815 1.00 0.00 H new ATOM 0 HA TRP A 421 27.380 -25.609 -9.015 1.00 0.00 H new ATOM 0 HB2 TRP A 421 29.428 -24.633 -8.105 1.00 0.00 H new ATOM 0 HB3 TRP A 421 29.200 -26.277 -7.544 1.00 0.00 H new ATOM 0 HD1 TRP A 421 31.264 -24.476 -10.340 1.00 0.00 H new ATOM 0 HE1 TRP A 421 33.532 -25.676 -10.599 1.00 0.00 H new ATOM 0 HE3 TRP A 421 30.527 -28.208 -6.936 1.00 0.00 H new ATOM 0 HZ2 TRP A 421 34.818 -27.898 -9.456 1.00 0.00 H new ATOM 0 HZ3 TRP A 421 32.339 -29.836 -6.562 1.00 0.00 H new ATOM 0 HH2 TRP A 421 34.453 -29.679 -7.809 1.00 0.00 H new ATOM 104 N ASP A 422 28.411 -23.696 -10.513 1.00 0.00 N ATOM 105 CA ASP A 422 28.656 -22.765 -11.599 1.00 0.00 C ATOM 106 C ASP A 422 29.336 -21.501 -11.100 1.00 0.00 C ATOM 107 O ASP A 422 28.691 -20.607 -10.538 1.00 0.00 O ATOM 108 CB ASP A 422 27.367 -22.418 -12.345 1.00 0.00 C ATOM 109 CG ASP A 422 27.612 -21.458 -13.497 1.00 0.00 C ATOM 110 OD1 ASP A 422 28.346 -21.827 -14.440 1.00 0.00 O ATOM 111 OD2 ASP A 422 27.069 -20.333 -13.470 1.00 0.00 O ATOM 0 H ASP A 422 28.116 -23.264 -9.637 1.00 0.00 H new ATOM 0 HA ASP A 422 29.327 -23.261 -12.300 1.00 0.00 H new ATOM 0 HB2 ASP A 422 26.912 -23.332 -12.726 1.00 0.00 H new ATOM 0 HB3 ASP A 422 26.655 -21.974 -11.649 1.00 0.00 H new ATOM 116 N GLU A 423 30.638 -21.448 -11.282 1.00 0.00 N ATOM 117 CA GLU A 423 31.429 -20.296 -10.905 1.00 0.00 C ATOM 118 C GLU A 423 32.804 -20.384 -11.544 1.00 0.00 C ATOM 119 O GLU A 423 33.465 -21.427 -11.474 1.00 0.00 O ATOM 120 CB GLU A 423 31.558 -20.181 -9.382 1.00 0.00 C ATOM 121 CG GLU A 423 32.243 -18.899 -8.928 1.00 0.00 C ATOM 122 CD GLU A 423 31.575 -17.661 -9.488 1.00 0.00 C ATOM 123 OE1 GLU A 423 30.585 -17.186 -8.886 1.00 0.00 O ATOM 124 OE2 GLU A 423 32.026 -17.164 -10.548 1.00 0.00 O ATOM 0 H GLU A 423 31.180 -22.206 -11.697 1.00 0.00 H new ATOM 0 HA GLU A 423 30.920 -19.401 -11.264 1.00 0.00 H new ATOM 0 HB2 GLU A 423 30.565 -20.231 -8.936 1.00 0.00 H new ATOM 0 HB3 GLU A 423 32.119 -21.037 -9.007 1.00 0.00 H new ATOM 0 HG2 GLU A 423 32.236 -18.852 -7.839 1.00 0.00 H new ATOM 0 HG3 GLU A 423 33.287 -18.918 -9.239 1.00 0.00 H new ATOM 131 N ALA A 424 33.216 -19.304 -12.180 1.00 0.00 N ATOM 132 CA ALA A 424 34.510 -19.240 -12.842 1.00 0.00 C ATOM 133 C ALA A 424 34.876 -17.795 -13.143 1.00 0.00 C ATOM 134 O ALA A 424 35.613 -17.513 -14.088 1.00 0.00 O ATOM 135 CB ALA A 424 34.482 -20.058 -14.128 1.00 0.00 C ATOM 0 H ALA A 424 32.667 -18.448 -12.254 1.00 0.00 H new ATOM 0 HA ALA A 424 35.266 -19.659 -12.177 1.00 0.00 H new ATOM 0 HB1 ALA A 424 35.455 -20.003 -14.615 1.00 0.00 H new ATOM 0 HB2 ALA A 424 34.252 -21.097 -13.893 1.00 0.00 H new ATOM 0 HB3 ALA A 424 33.719 -19.659 -14.796 1.00 0.00 H new ATOM 141 N SER A 425 34.366 -16.883 -12.333 1.00 0.00 N ATOM 142 CA SER A 425 34.611 -15.467 -12.531 1.00 0.00 C ATOM 143 C SER A 425 35.967 -15.052 -11.957 1.00 0.00 C ATOM 144 O SER A 425 36.294 -15.369 -10.809 1.00 0.00 O ATOM 145 CB SER A 425 33.498 -14.656 -11.879 1.00 0.00 C ATOM 146 OG SER A 425 32.222 -15.135 -12.285 1.00 0.00 O ATOM 0 H SER A 425 33.777 -17.101 -11.529 1.00 0.00 H new ATOM 0 HA SER A 425 34.626 -15.270 -13.603 1.00 0.00 H new ATOM 0 HB2 SER A 425 33.586 -14.715 -10.794 1.00 0.00 H new ATOM 0 HB3 SER A 425 33.600 -13.605 -12.150 1.00 0.00 H new ATOM 0 HG SER A 425 31.967 -15.900 -11.728 1.00 0.00 H new ATOM 152 N ASN A 426 36.750 -14.356 -12.766 1.00 0.00 N ATOM 153 CA ASN A 426 38.054 -13.861 -12.347 1.00 0.00 C ATOM 154 C ASN A 426 38.153 -12.377 -12.638 1.00 0.00 C ATOM 155 O ASN A 426 37.954 -11.947 -13.776 1.00 0.00 O ATOM 156 CB ASN A 426 39.193 -14.610 -13.065 1.00 0.00 C ATOM 157 CG ASN A 426 39.239 -16.091 -12.728 1.00 0.00 C ATOM 158 OD1 ASN A 426 39.898 -16.503 -11.771 1.00 0.00 O ATOM 159 ND2 ASN A 426 38.550 -16.896 -13.505 1.00 0.00 N ATOM 0 H ASN A 426 36.502 -14.119 -13.727 1.00 0.00 H new ATOM 0 HA ASN A 426 38.157 -14.035 -11.276 1.00 0.00 H new ATOM 0 HB2 ASN A 426 39.075 -14.492 -14.142 1.00 0.00 H new ATOM 0 HB3 ASN A 426 40.146 -14.153 -12.797 1.00 0.00 H new ATOM 0 HD21 ASN A 426 38.548 -17.900 -13.326 1.00 0.00 H new ATOM 0 HD22 ASN A 426 38.017 -16.517 -14.288 1.00 0.00 H new ATOM 166 N VAL A 427 38.448 -11.594 -11.618 1.00 0.00 N ATOM 167 CA VAL A 427 38.552 -10.153 -11.770 1.00 0.00 C ATOM 168 C VAL A 427 39.968 -9.761 -12.177 1.00 0.00 C ATOM 169 O VAL A 427 40.867 -9.672 -11.341 1.00 0.00 O ATOM 170 CB VAL A 427 38.161 -9.409 -10.469 1.00 0.00 C ATOM 171 CG1 VAL A 427 38.198 -7.900 -10.675 1.00 0.00 C ATOM 172 CG2 VAL A 427 36.780 -9.850 -9.998 1.00 0.00 C ATOM 0 H VAL A 427 38.621 -11.932 -10.671 1.00 0.00 H new ATOM 0 HA VAL A 427 37.853 -9.859 -12.553 1.00 0.00 H new ATOM 0 HB VAL A 427 38.889 -9.664 -9.699 1.00 0.00 H new ATOM 0 HG11 VAL A 427 37.920 -7.399 -9.748 1.00 0.00 H new ATOM 0 HG12 VAL A 427 39.204 -7.597 -10.963 1.00 0.00 H new ATOM 0 HG13 VAL A 427 37.496 -7.623 -11.462 1.00 0.00 H new ATOM 0 HG21 VAL A 427 36.521 -9.318 -9.083 1.00 0.00 H new ATOM 0 HG22 VAL A 427 36.044 -9.625 -10.770 1.00 0.00 H new ATOM 0 HG23 VAL A 427 36.787 -10.923 -9.804 1.00 0.00 H new ATOM 182 N THR A 428 40.162 -9.551 -13.463 1.00 0.00 N ATOM 183 CA THR A 428 41.464 -9.188 -13.984 1.00 0.00 C ATOM 184 C THR A 428 41.484 -7.740 -14.466 1.00 0.00 C ATOM 185 O THR A 428 42.551 -7.135 -14.608 1.00 0.00 O ATOM 186 CB THR A 428 41.898 -10.140 -15.138 1.00 0.00 C ATOM 187 OG1 THR A 428 43.130 -9.688 -15.729 1.00 0.00 O ATOM 188 CG2 THR A 428 40.818 -10.232 -16.212 1.00 0.00 C ATOM 0 H THR A 428 39.430 -9.626 -14.170 1.00 0.00 H new ATOM 0 HA THR A 428 42.177 -9.290 -13.166 1.00 0.00 H new ATOM 0 HB THR A 428 42.047 -11.131 -14.710 1.00 0.00 H new ATOM 0 HG1 THR A 428 43.248 -8.732 -15.548 1.00 0.00 H new ATOM 0 HG21 THR A 428 41.149 -10.903 -17.004 1.00 0.00 H new ATOM 0 HG22 THR A 428 39.898 -10.617 -15.771 1.00 0.00 H new ATOM 0 HG23 THR A 428 40.634 -9.242 -16.629 1.00 0.00 H new ATOM 196 N ILE A 429 40.313 -7.186 -14.702 1.00 0.00 N ATOM 197 CA ILE A 429 40.206 -5.823 -15.184 1.00 0.00 C ATOM 198 C ILE A 429 39.559 -4.917 -14.135 1.00 0.00 C ATOM 199 O ILE A 429 38.477 -5.216 -13.616 1.00 0.00 O ATOM 200 CB ILE A 429 39.413 -5.753 -16.525 1.00 0.00 C ATOM 201 CG1 ILE A 429 39.223 -4.298 -16.975 1.00 0.00 C ATOM 202 CG2 ILE A 429 38.070 -6.471 -16.409 1.00 0.00 C ATOM 203 CD1 ILE A 429 38.449 -4.150 -18.268 1.00 0.00 C ATOM 0 H ILE A 429 39.419 -7.659 -14.568 1.00 0.00 H new ATOM 0 HA ILE A 429 41.219 -5.465 -15.371 1.00 0.00 H new ATOM 0 HB ILE A 429 39.999 -6.266 -17.287 1.00 0.00 H new ATOM 0 HG12 ILE A 429 38.705 -3.750 -16.188 1.00 0.00 H new ATOM 0 HG13 ILE A 429 40.202 -3.834 -17.094 1.00 0.00 H new ATOM 0 HG21 ILE A 429 37.539 -6.406 -17.359 1.00 0.00 H new ATOM 0 HG22 ILE A 429 38.238 -7.518 -16.158 1.00 0.00 H new ATOM 0 HG23 ILE A 429 37.473 -6.002 -15.627 1.00 0.00 H new ATOM 0 HD11 ILE A 429 38.357 -3.093 -18.518 1.00 0.00 H new ATOM 0 HD12 ILE A 429 38.976 -4.668 -19.069 1.00 0.00 H new ATOM 0 HD13 ILE A 429 37.455 -4.582 -18.149 1.00 0.00 H new ATOM 215 N LYS A 430 40.239 -3.825 -13.805 1.00 0.00 N ATOM 216 CA LYS A 430 39.712 -2.856 -12.853 1.00 0.00 C ATOM 217 C LYS A 430 38.611 -2.055 -13.520 1.00 0.00 C ATOM 218 O LYS A 430 38.466 -2.099 -14.746 1.00 0.00 O ATOM 219 CB LYS A 430 40.835 -1.909 -12.360 1.00 0.00 C ATOM 220 CG LYS A 430 41.178 -0.767 -13.328 1.00 0.00 C ATOM 221 CD LYS A 430 42.589 -0.229 -13.104 1.00 0.00 C ATOM 222 CE LYS A 430 43.648 -1.274 -13.459 1.00 0.00 C ATOM 223 NZ LYS A 430 45.028 -0.741 -13.348 1.00 0.00 N ATOM 0 H LYS A 430 41.157 -3.589 -14.183 1.00 0.00 H new ATOM 0 HA LYS A 430 39.310 -3.385 -11.989 1.00 0.00 H new ATOM 0 HB2 LYS A 430 40.537 -1.480 -11.403 1.00 0.00 H new ATOM 0 HB3 LYS A 430 41.735 -2.497 -12.179 1.00 0.00 H new ATOM 0 HG2 LYS A 430 41.084 -1.122 -14.354 1.00 0.00 H new ATOM 0 HG3 LYS A 430 40.458 0.042 -13.203 1.00 0.00 H new ATOM 0 HD2 LYS A 430 42.740 0.664 -13.710 1.00 0.00 H new ATOM 0 HD3 LYS A 430 42.705 0.069 -12.062 1.00 0.00 H new ATOM 0 HE2 LYS A 430 43.540 -2.135 -12.800 1.00 0.00 H new ATOM 0 HE3 LYS A 430 43.479 -1.628 -14.476 1.00 0.00 H new ATOM 0 HZ1 LYS A 430 45.709 -1.486 -13.598 1.00 0.00 H new ATOM 0 HZ2 LYS A 430 45.142 0.064 -13.996 1.00 0.00 H new ATOM 0 HZ3 LYS A 430 45.202 -0.427 -12.372 1.00 0.00 H new ATOM 237 N VAL A 431 37.833 -1.345 -12.739 1.00 0.00 N ATOM 238 CA VAL A 431 36.793 -0.505 -13.293 1.00 0.00 C ATOM 239 C VAL A 431 37.402 0.565 -14.202 1.00 0.00 C ATOM 240 O VAL A 431 38.346 1.265 -13.815 1.00 0.00 O ATOM 241 CB VAL A 431 35.927 0.153 -12.192 1.00 0.00 C ATOM 242 CG1 VAL A 431 34.993 -0.872 -11.572 1.00 0.00 C ATOM 243 CG2 VAL A 431 36.807 0.777 -11.120 1.00 0.00 C ATOM 0 H VAL A 431 37.898 -1.330 -11.721 1.00 0.00 H new ATOM 0 HA VAL A 431 36.137 -1.146 -13.882 1.00 0.00 H new ATOM 0 HB VAL A 431 35.329 0.941 -12.651 1.00 0.00 H new ATOM 0 HG11 VAL A 431 34.390 -0.395 -10.799 1.00 0.00 H new ATOM 0 HG12 VAL A 431 34.339 -1.281 -12.342 1.00 0.00 H new ATOM 0 HG13 VAL A 431 35.579 -1.677 -11.129 1.00 0.00 H new ATOM 0 HG21 VAL A 431 36.180 1.234 -10.355 1.00 0.00 H new ATOM 0 HG22 VAL A 431 37.429 0.006 -10.666 1.00 0.00 H new ATOM 0 HG23 VAL A 431 37.444 1.539 -11.570 1.00 0.00 H new ATOM 253 N SER A 432 36.876 0.670 -15.413 1.00 0.00 N ATOM 254 CA SER A 432 37.382 1.615 -16.403 1.00 0.00 C ATOM 255 C SER A 432 37.061 3.058 -16.014 1.00 0.00 C ATOM 256 O SER A 432 37.525 4.007 -16.655 1.00 0.00 O ATOM 257 CB SER A 432 36.805 1.293 -17.786 1.00 0.00 C ATOM 258 OG SER A 432 37.378 2.116 -18.790 1.00 0.00 O ATOM 0 H SER A 432 36.090 0.107 -15.738 1.00 0.00 H new ATOM 0 HA SER A 432 38.467 1.515 -16.439 1.00 0.00 H new ATOM 0 HB2 SER A 432 36.989 0.245 -18.024 1.00 0.00 H new ATOM 0 HB3 SER A 432 35.724 1.432 -17.772 1.00 0.00 H new ATOM 0 HG SER A 432 37.589 2.995 -18.412 1.00 0.00 H new ATOM 264 N THR A 433 36.274 3.218 -14.974 1.00 0.00 N ATOM 265 CA THR A 433 35.912 4.522 -14.495 1.00 0.00 C ATOM 266 C THR A 433 36.136 4.631 -12.996 1.00 0.00 C ATOM 267 O THR A 433 35.660 3.796 -12.223 1.00 0.00 O ATOM 268 CB THR A 433 34.450 4.846 -14.826 1.00 0.00 C ATOM 269 OG1 THR A 433 33.639 3.668 -14.657 1.00 0.00 O ATOM 270 CG2 THR A 433 34.321 5.363 -16.251 1.00 0.00 C ATOM 0 H THR A 433 35.871 2.447 -14.442 1.00 0.00 H new ATOM 0 HA THR A 433 36.552 5.245 -15.000 1.00 0.00 H new ATOM 0 HB THR A 433 34.105 5.624 -14.145 1.00 0.00 H new ATOM 0 HG1 THR A 433 32.706 3.880 -14.868 1.00 0.00 H new ATOM 0 HG21 THR A 433 33.276 5.586 -16.464 1.00 0.00 H new ATOM 0 HG22 THR A 433 34.916 6.269 -16.365 1.00 0.00 H new ATOM 0 HG23 THR A 433 34.679 4.604 -16.947 1.00 0.00 H new ATOM 278 N LYS A 434 36.876 5.643 -12.594 1.00 0.00 N ATOM 279 CA LYS A 434 37.156 5.886 -11.195 1.00 0.00 C ATOM 280 C LYS A 434 36.421 7.155 -10.752 1.00 0.00 C ATOM 281 O LYS A 434 36.279 8.087 -11.540 1.00 0.00 O ATOM 282 CB LYS A 434 38.669 6.035 -10.972 1.00 0.00 C ATOM 283 CG LYS A 434 39.510 4.819 -11.390 1.00 0.00 C ATOM 284 CD LYS A 434 39.153 3.574 -10.604 1.00 0.00 C ATOM 285 CE LYS A 434 40.297 2.576 -10.607 1.00 0.00 C ATOM 286 NZ LYS A 434 41.442 3.052 -9.784 1.00 0.00 N ATOM 0 H LYS A 434 37.300 6.320 -13.228 1.00 0.00 H new ATOM 0 HA LYS A 434 36.808 5.041 -10.601 1.00 0.00 H new ATOM 0 HB2 LYS A 434 39.018 6.907 -11.525 1.00 0.00 H new ATOM 0 HB3 LYS A 434 38.847 6.235 -9.915 1.00 0.00 H new ATOM 0 HG2 LYS A 434 39.365 4.628 -12.453 1.00 0.00 H new ATOM 0 HG3 LYS A 434 40.567 5.045 -11.248 1.00 0.00 H new ATOM 0 HD2 LYS A 434 38.908 3.847 -9.578 1.00 0.00 H new ATOM 0 HD3 LYS A 434 38.263 3.113 -11.033 1.00 0.00 H new ATOM 0 HE2 LYS A 434 39.946 1.618 -10.223 1.00 0.00 H new ATOM 0 HE3 LYS A 434 40.630 2.406 -11.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 434 42.025 2.240 -9.498 1.00 0.00 H new ATOM 0 HZ2 LYS A 434 42.019 3.714 -10.342 1.00 0.00 H new ATOM 0 HZ3 LYS A 434 41.083 3.536 -8.936 1.00 0.00 H new ATOM 300 N PRO A 435 35.925 7.201 -9.510 1.00 0.00 N ATOM 301 CA PRO A 435 35.173 8.356 -9.009 1.00 0.00 C ATOM 302 C PRO A 435 36.058 9.569 -8.699 1.00 0.00 C ATOM 303 O PRO A 435 37.112 9.446 -8.058 1.00 0.00 O ATOM 304 CB PRO A 435 34.533 7.825 -7.725 1.00 0.00 C ATOM 305 CG PRO A 435 35.465 6.761 -7.256 1.00 0.00 C ATOM 306 CD PRO A 435 36.048 6.138 -8.496 1.00 0.00 C ATOM 0 HA PRO A 435 34.462 8.720 -9.750 1.00 0.00 H new ATOM 0 HB2 PRO A 435 34.424 8.614 -6.980 1.00 0.00 H new ATOM 0 HB3 PRO A 435 33.537 7.425 -7.914 1.00 0.00 H new ATOM 0 HG2 PRO A 435 36.249 7.180 -6.625 1.00 0.00 H new ATOM 0 HG3 PRO A 435 34.938 6.018 -6.658 1.00 0.00 H new ATOM 0 HD2 PRO A 435 37.087 5.845 -8.347 1.00 0.00 H new ATOM 0 HD3 PRO A 435 35.503 5.241 -8.788 1.00 0.00 H new ATOM 314 N CYS A 436 35.618 10.734 -9.165 1.00 0.00 N ATOM 315 CA CYS A 436 36.301 11.992 -8.904 1.00 0.00 C ATOM 316 C CYS A 436 36.359 12.245 -7.401 1.00 0.00 C ATOM 317 O CYS A 436 35.450 11.852 -6.668 1.00 0.00 O ATOM 318 CB CYS A 436 35.545 13.131 -9.618 1.00 0.00 C ATOM 319 SG CYS A 436 36.128 14.831 -9.257 1.00 0.00 S ATOM 0 H CYS A 436 34.777 10.830 -9.734 1.00 0.00 H new ATOM 0 HA CYS A 436 37.322 11.948 -9.284 1.00 0.00 H new ATOM 0 HB2 CYS A 436 35.611 12.966 -10.693 1.00 0.00 H new ATOM 0 HB3 CYS A 436 34.491 13.065 -9.350 1.00 0.00 H new ATOM 324 N PRO A 437 37.426 12.878 -6.914 1.00 0.00 N ATOM 325 CA PRO A 437 37.568 13.193 -5.496 1.00 0.00 C ATOM 326 C PRO A 437 36.490 14.168 -5.017 1.00 0.00 C ATOM 327 O PRO A 437 36.246 14.291 -3.816 1.00 0.00 O ATOM 328 CB PRO A 437 38.957 13.839 -5.400 1.00 0.00 C ATOM 329 CG PRO A 437 39.271 14.290 -6.782 1.00 0.00 C ATOM 330 CD PRO A 437 38.589 13.322 -7.697 1.00 0.00 C ATOM 0 HA PRO A 437 37.459 12.308 -4.869 1.00 0.00 H new ATOM 0 HB2 PRO A 437 38.955 14.677 -4.703 1.00 0.00 H new ATOM 0 HB3 PRO A 437 39.699 13.127 -5.040 1.00 0.00 H new ATOM 0 HG2 PRO A 437 38.913 15.306 -6.952 1.00 0.00 H new ATOM 0 HG3 PRO A 437 40.347 14.298 -6.955 1.00 0.00 H new ATOM 0 HD2 PRO A 437 38.288 13.796 -8.631 1.00 0.00 H new ATOM 0 HD3 PRO A 437 39.240 12.488 -7.958 1.00 0.00 H new ATOM 338 N LYS A 438 35.837 14.844 -5.958 1.00 0.00 N ATOM 339 CA LYS A 438 34.815 15.827 -5.612 1.00 0.00 C ATOM 340 C LYS A 438 33.415 15.366 -6.006 1.00 0.00 C ATOM 341 O LYS A 438 32.633 14.947 -5.153 1.00 0.00 O ATOM 342 CB LYS A 438 35.120 17.203 -6.233 1.00 0.00 C ATOM 343 CG LYS A 438 36.135 18.034 -5.450 1.00 0.00 C ATOM 344 CD LYS A 438 37.526 17.422 -5.483 1.00 0.00 C ATOM 345 CE LYS A 438 38.477 18.144 -4.541 1.00 0.00 C ATOM 346 NZ LYS A 438 38.073 17.997 -3.119 1.00 0.00 N ATOM 0 H LYS A 438 35.996 14.731 -6.959 1.00 0.00 H new ATOM 0 HA LYS A 438 34.838 15.926 -4.527 1.00 0.00 H new ATOM 0 HB2 LYS A 438 35.492 17.057 -7.247 1.00 0.00 H new ATOM 0 HB3 LYS A 438 34.191 17.767 -6.313 1.00 0.00 H new ATOM 0 HG2 LYS A 438 36.173 19.042 -5.864 1.00 0.00 H new ATOM 0 HG3 LYS A 438 35.805 18.127 -4.415 1.00 0.00 H new ATOM 0 HD2 LYS A 438 37.468 16.369 -5.206 1.00 0.00 H new ATOM 0 HD3 LYS A 438 37.918 17.463 -6.499 1.00 0.00 H new ATOM 0 HE2 LYS A 438 39.485 17.752 -4.673 1.00 0.00 H new ATOM 0 HE3 LYS A 438 38.510 19.202 -4.801 1.00 0.00 H new ATOM 0 HZ1 LYS A 438 38.874 18.243 -2.503 1.00 0.00 H new ATOM 0 HZ2 LYS A 438 37.274 18.631 -2.918 1.00 0.00 H new ATOM 0 HZ3 LYS A 438 37.788 17.013 -2.939 1.00 0.00 H new ATOM 360 N CYS A 439 33.107 15.425 -7.297 1.00 0.00 N ATOM 361 CA CYS A 439 31.776 15.065 -7.775 1.00 0.00 C ATOM 362 C CYS A 439 31.575 13.557 -7.805 1.00 0.00 C ATOM 363 O CYS A 439 30.447 13.079 -7.951 1.00 0.00 O ATOM 364 CB CYS A 439 31.527 15.662 -9.155 1.00 0.00 C ATOM 365 SG CYS A 439 32.761 15.203 -10.393 1.00 0.00 S ATOM 0 H CYS A 439 33.756 15.717 -8.028 1.00 0.00 H new ATOM 0 HA CYS A 439 31.052 15.479 -7.073 1.00 0.00 H new ATOM 0 HB2 CYS A 439 30.544 15.346 -9.503 1.00 0.00 H new ATOM 0 HB3 CYS A 439 31.501 16.748 -9.069 1.00 0.00 H new ATOM 370 N ARG A 440 32.676 12.818 -7.697 1.00 0.00 N ATOM 371 CA ARG A 440 32.654 11.355 -7.674 1.00 0.00 C ATOM 372 C ARG A 440 32.057 10.755 -8.938 1.00 0.00 C ATOM 373 O ARG A 440 31.601 9.609 -8.937 1.00 0.00 O ATOM 374 CB ARG A 440 31.947 10.845 -6.428 1.00 0.00 C ATOM 375 CG ARG A 440 32.805 10.972 -5.193 1.00 0.00 C ATOM 376 CD ARG A 440 32.095 10.493 -3.957 1.00 0.00 C ATOM 377 NE ARG A 440 30.970 11.354 -3.588 1.00 0.00 N ATOM 378 CZ ARG A 440 31.028 12.313 -2.655 1.00 0.00 C ATOM 379 NH1 ARG A 440 32.184 12.597 -2.058 1.00 0.00 N ATOM 380 NH2 ARG A 440 29.938 12.999 -2.339 1.00 0.00 N ATOM 0 H ARG A 440 33.612 13.216 -7.623 1.00 0.00 H new ATOM 0 HA ARG A 440 33.692 11.022 -7.640 1.00 0.00 H new ATOM 0 HB2 ARG A 440 31.021 11.402 -6.284 1.00 0.00 H new ATOM 0 HB3 ARG A 440 31.671 9.800 -6.571 1.00 0.00 H new ATOM 0 HG2 ARG A 440 33.722 10.398 -5.329 1.00 0.00 H new ATOM 0 HG3 ARG A 440 33.098 12.014 -5.061 1.00 0.00 H new ATOM 0 HD2 ARG A 440 31.733 9.478 -4.120 1.00 0.00 H new ATOM 0 HD3 ARG A 440 32.803 10.450 -3.129 1.00 0.00 H new ATOM 0 HE ARG A 440 30.084 11.214 -4.073 1.00 0.00 H new ATOM 0 HH11 ARG A 440 33.028 12.084 -2.311 1.00 0.00 H new ATOM 0 HH12 ARG A 440 32.225 13.328 -1.348 1.00 0.00 H new ATOM 0 HH21 ARG A 440 29.054 12.796 -2.807 1.00 0.00 H new ATOM 0 HH22 ARG A 440 29.983 13.729 -1.628 1.00 0.00 H new ATOM 394 N THR A 441 32.090 11.514 -10.016 1.00 0.00 N ATOM 395 CA THR A 441 31.597 11.038 -11.288 1.00 0.00 C ATOM 396 C THR A 441 32.547 9.998 -11.866 1.00 0.00 C ATOM 397 O THR A 441 33.738 9.978 -11.524 1.00 0.00 O ATOM 398 CB THR A 441 31.419 12.192 -12.290 1.00 0.00 C ATOM 399 OG1 THR A 441 32.605 12.994 -12.333 1.00 0.00 O ATOM 400 CG2 THR A 441 30.230 13.052 -11.911 1.00 0.00 C ATOM 0 H THR A 441 32.455 12.466 -10.033 1.00 0.00 H new ATOM 0 HA THR A 441 30.622 10.583 -11.115 1.00 0.00 H new ATOM 0 HB THR A 441 31.239 11.765 -13.276 1.00 0.00 H new ATOM 0 HG1 THR A 441 32.437 13.850 -11.887 1.00 0.00 H new ATOM 0 HG21 THR A 441 30.122 13.862 -12.632 1.00 0.00 H new ATOM 0 HG22 THR A 441 29.326 12.443 -11.911 1.00 0.00 H new ATOM 0 HG23 THR A 441 30.386 13.470 -10.917 1.00 0.00 H new ATOM 408 N PRO A 442 32.041 9.107 -12.729 1.00 0.00 N ATOM 409 CA PRO A 442 32.857 8.069 -13.336 1.00 0.00 C ATOM 410 C PRO A 442 33.865 8.642 -14.329 1.00 0.00 C ATOM 411 O PRO A 442 33.535 8.919 -15.486 1.00 0.00 O ATOM 412 CB PRO A 442 31.838 7.167 -14.046 1.00 0.00 C ATOM 413 CG PRO A 442 30.657 8.041 -14.289 1.00 0.00 C ATOM 414 CD PRO A 442 30.633 9.044 -13.173 1.00 0.00 C ATOM 0 HA PRO A 442 33.457 7.536 -12.598 1.00 0.00 H new ATOM 0 HB2 PRO A 442 32.240 6.777 -14.981 1.00 0.00 H new ATOM 0 HB3 PRO A 442 31.574 6.308 -13.429 1.00 0.00 H new ATOM 0 HG2 PRO A 442 30.735 8.538 -15.256 1.00 0.00 H new ATOM 0 HG3 PRO A 442 29.738 7.456 -14.304 1.00 0.00 H new ATOM 0 HD2 PRO A 442 30.277 10.016 -13.515 1.00 0.00 H new ATOM 0 HD3 PRO A 442 29.972 8.729 -12.365 1.00 0.00 H new ATOM 422 N THR A 443 35.075 8.849 -13.862 1.00 0.00 N ATOM 423 CA THR A 443 36.135 9.364 -14.689 1.00 0.00 C ATOM 424 C THR A 443 36.783 8.230 -15.469 1.00 0.00 C ATOM 425 O THR A 443 37.343 7.296 -14.877 1.00 0.00 O ATOM 426 CB THR A 443 37.200 10.086 -13.836 1.00 0.00 C ATOM 427 OG1 THR A 443 36.577 11.129 -13.075 1.00 0.00 O ATOM 428 CG2 THR A 443 38.285 10.683 -14.721 1.00 0.00 C ATOM 0 H THR A 443 35.349 8.664 -12.897 1.00 0.00 H new ATOM 0 HA THR A 443 35.705 10.084 -15.385 1.00 0.00 H new ATOM 0 HB THR A 443 37.658 9.360 -13.164 1.00 0.00 H new ATOM 0 HG1 THR A 443 37.253 11.586 -12.532 1.00 0.00 H new ATOM 0 HG21 THR A 443 39.025 11.187 -14.099 1.00 0.00 H new ATOM 0 HG22 THR A 443 38.769 9.889 -15.289 1.00 0.00 H new ATOM 0 HG23 THR A 443 37.839 11.401 -15.409 1.00 0.00 H new ATOM 436 N GLU A 444 36.680 8.294 -16.787 1.00 0.00 N ATOM 437 CA GLU A 444 37.246 7.269 -17.641 1.00 0.00 C ATOM 438 C GLU A 444 38.759 7.277 -17.549 1.00 0.00 C ATOM 439 O GLU A 444 39.401 8.316 -17.719 1.00 0.00 O ATOM 440 CB GLU A 444 36.783 7.455 -19.082 1.00 0.00 C ATOM 441 CG GLU A 444 35.271 7.465 -19.222 1.00 0.00 C ATOM 442 CD GLU A 444 34.812 7.441 -20.655 1.00 0.00 C ATOM 443 OE1 GLU A 444 34.794 8.506 -21.299 1.00 0.00 O ATOM 444 OE2 GLU A 444 34.449 6.357 -21.141 1.00 0.00 O ATOM 0 H GLU A 444 36.208 9.048 -17.287 1.00 0.00 H new ATOM 0 HA GLU A 444 36.892 6.297 -17.297 1.00 0.00 H new ATOM 0 HB2 GLU A 444 37.185 8.392 -19.469 1.00 0.00 H new ATOM 0 HB3 GLU A 444 37.194 6.654 -19.696 1.00 0.00 H new ATOM 0 HG2 GLU A 444 34.858 6.602 -18.700 1.00 0.00 H new ATOM 0 HG3 GLU A 444 34.872 8.354 -18.734 1.00 0.00 H new ATOM 451 N ARG A 445 39.320 6.126 -17.258 1.00 0.00 N ATOM 452 CA ARG A 445 40.747 6.000 -17.082 1.00 0.00 C ATOM 453 C ARG A 445 41.435 5.605 -18.378 1.00 0.00 C ATOM 454 O ARG A 445 40.839 4.952 -19.238 1.00 0.00 O ATOM 455 CB ARG A 445 41.056 4.988 -15.961 1.00 0.00 C ATOM 456 CG ARG A 445 40.658 3.543 -16.266 1.00 0.00 C ATOM 457 CD ARG A 445 41.786 2.783 -16.944 1.00 0.00 C ATOM 458 NE ARG A 445 41.334 1.525 -17.529 1.00 0.00 N ATOM 459 CZ ARG A 445 41.708 1.077 -18.731 1.00 0.00 C ATOM 460 NH1 ARG A 445 42.521 1.801 -19.494 1.00 0.00 N ATOM 461 NH2 ARG A 445 41.264 -0.091 -19.169 1.00 0.00 N ATOM 0 H ARG A 445 38.803 5.255 -17.137 1.00 0.00 H new ATOM 0 HA ARG A 445 41.141 6.974 -16.791 1.00 0.00 H new ATOM 0 HB2 ARG A 445 42.125 5.018 -15.750 1.00 0.00 H new ATOM 0 HB3 ARG A 445 40.543 5.306 -15.053 1.00 0.00 H new ATOM 0 HG2 ARG A 445 40.383 3.038 -15.340 1.00 0.00 H new ATOM 0 HG3 ARG A 445 39.777 3.535 -16.907 1.00 0.00 H new ATOM 0 HD2 ARG A 445 42.224 3.407 -17.723 1.00 0.00 H new ATOM 0 HD3 ARG A 445 42.573 2.581 -16.217 1.00 0.00 H new ATOM 0 HE ARG A 445 40.691 0.950 -16.985 1.00 0.00 H new ATOM 0 HH11 ARG A 445 42.862 2.703 -19.163 1.00 0.00 H new ATOM 0 HH12 ARG A 445 42.803 1.454 -20.411 1.00 0.00 H new ATOM 0 HH21 ARG A 445 40.637 -0.648 -18.589 1.00 0.00 H new ATOM 0 HH22 ARG A 445 41.549 -0.433 -20.086 1.00 0.00 H new ATOM 475 N ASP A 446 42.684 6.002 -18.509 1.00 0.00 N ATOM 476 CA ASP A 446 43.484 5.662 -19.672 1.00 0.00 C ATOM 477 C ASP A 446 44.573 4.685 -19.266 1.00 0.00 C ATOM 478 O ASP A 446 44.832 4.493 -18.075 1.00 0.00 O ATOM 479 CB ASP A 446 44.113 6.917 -20.290 1.00 0.00 C ATOM 480 CG ASP A 446 45.206 7.511 -19.427 1.00 0.00 C ATOM 481 OD1 ASP A 446 44.887 8.333 -18.545 1.00 0.00 O ATOM 482 OD2 ASP A 446 46.387 7.164 -19.635 1.00 0.00 O ATOM 0 H ASP A 446 43.174 6.568 -17.816 1.00 0.00 H new ATOM 0 HA ASP A 446 42.837 5.203 -20.419 1.00 0.00 H new ATOM 0 HB2 ASP A 446 44.524 6.668 -21.268 1.00 0.00 H new ATOM 0 HB3 ASP A 446 43.337 7.665 -20.451 1.00 0.00 H new ATOM 487 N GLY A 447 45.196 4.064 -20.242 1.00 0.00 N ATOM 488 CA GLY A 447 46.242 3.112 -19.960 1.00 0.00 C ATOM 489 C GLY A 447 47.590 3.582 -20.451 1.00 0.00 C ATOM 490 O GLY A 447 48.329 2.826 -21.093 1.00 0.00 O ATOM 0 H GLY A 447 44.997 4.201 -21.233 1.00 0.00 H new ATOM 0 HA2 GLY A 447 46.290 2.936 -18.885 1.00 0.00 H new ATOM 0 HA3 GLY A 447 45.999 2.158 -20.429 1.00 0.00 H new ATOM 494 N GLY A 448 47.914 4.828 -20.171 1.00 0.00 N ATOM 495 CA GLY A 448 49.182 5.358 -20.587 1.00 0.00 C ATOM 496 C GLY A 448 49.786 6.304 -19.581 1.00 0.00 C ATOM 497 O GLY A 448 50.979 6.229 -19.295 1.00 0.00 O ATOM 0 H GLY A 448 47.319 5.481 -19.662 1.00 0.00 H new ATOM 0 HA2 GLY A 448 49.873 4.534 -20.763 1.00 0.00 H new ATOM 0 HA3 GLY A 448 49.058 5.878 -21.537 1.00 0.00 H new ATOM 501 N CYS A 449 48.971 7.176 -19.024 1.00 0.00 N ATOM 502 CA CYS A 449 49.460 8.173 -18.096 1.00 0.00 C ATOM 503 C CYS A 449 49.026 7.885 -16.655 1.00 0.00 C ATOM 504 O CYS A 449 48.340 6.896 -16.375 1.00 0.00 O ATOM 505 CB CYS A 449 48.994 9.561 -18.524 1.00 0.00 C ATOM 506 SG CYS A 449 49.432 9.996 -20.220 1.00 0.00 S ATOM 0 H CYS A 449 47.967 7.214 -19.198 1.00 0.00 H new ATOM 0 HA CYS A 449 50.549 8.134 -18.118 1.00 0.00 H new ATOM 0 HB2 CYS A 449 47.911 9.619 -18.414 1.00 0.00 H new ATOM 0 HB3 CYS A 449 49.423 10.301 -17.848 1.00 0.00 H new ATOM 0 HG CYS A 449 50.710 9.832 -20.394 1.00 0.00 H new ATOM 512 N MET A 450 49.433 8.773 -15.755 1.00 0.00 N ATOM 513 CA MET A 450 49.143 8.668 -14.334 1.00 0.00 C ATOM 514 C MET A 450 48.439 9.957 -13.877 1.00 0.00 C ATOM 515 O MET A 450 48.521 10.365 -12.716 1.00 0.00 O ATOM 516 CB MET A 450 50.462 8.473 -13.559 1.00 0.00 C ATOM 517 CG MET A 450 50.301 8.188 -12.070 1.00 0.00 C ATOM 518 SD MET A 450 49.779 6.504 -11.719 1.00 0.00 S ATOM 519 CE MET A 450 51.312 5.628 -11.975 1.00 0.00 C ATOM 0 H MET A 450 49.982 9.598 -15.998 1.00 0.00 H new ATOM 0 HA MET A 450 48.493 7.815 -14.141 1.00 0.00 H new ATOM 0 HB2 MET A 450 51.014 7.650 -14.013 1.00 0.00 H new ATOM 0 HB3 MET A 450 51.071 9.369 -13.678 1.00 0.00 H new ATOM 0 HG2 MET A 450 51.248 8.379 -11.566 1.00 0.00 H new ATOM 0 HG3 MET A 450 49.572 8.882 -11.651 1.00 0.00 H new ATOM 0 HE1 MET A 450 51.236 4.628 -11.547 1.00 0.00 H new ATOM 0 HE2 MET A 450 51.513 5.551 -13.044 1.00 0.00 H new ATOM 0 HE3 MET A 450 52.125 6.169 -11.491 1.00 0.00 H new ATOM 529 N HIS A 451 47.758 10.590 -14.806 1.00 0.00 N ATOM 530 CA HIS A 451 47.043 11.825 -14.532 1.00 0.00 C ATOM 531 C HIS A 451 45.596 11.663 -14.943 1.00 0.00 C ATOM 532 O HIS A 451 45.310 11.225 -16.055 1.00 0.00 O ATOM 533 CB HIS A 451 47.685 12.987 -15.307 1.00 0.00 C ATOM 534 CG HIS A 451 47.195 14.352 -14.907 1.00 0.00 C ATOM 535 ND1 HIS A 451 47.998 15.222 -14.216 1.00 0.00 N ATOM 536 CD2 HIS A 451 46.004 14.949 -15.147 1.00 0.00 C ATOM 537 CE1 HIS A 451 47.284 16.322 -14.054 1.00 0.00 C ATOM 538 NE2 HIS A 451 46.071 16.205 -14.603 1.00 0.00 N ATOM 0 H HIS A 451 47.682 10.268 -15.771 1.00 0.00 H new ATOM 0 HA HIS A 451 47.095 12.047 -13.466 1.00 0.00 H new ATOM 0 HB2 HIS A 451 48.765 12.947 -15.167 1.00 0.00 H new ATOM 0 HB3 HIS A 451 47.497 12.845 -16.371 1.00 0.00 H new ATOM 0 HD1 HIS A 451 48.951 15.055 -13.893 1.00 0.00 H new ATOM 0 HD2 HIS A 451 45.162 14.518 -15.668 1.00 0.00 H new ATOM 0 HE1 HIS A 451 47.636 17.205 -13.542 1.00 0.00 H new ATOM 546 N MET A 452 44.693 11.997 -14.056 1.00 0.00 N ATOM 547 CA MET A 452 43.287 11.887 -14.353 1.00 0.00 C ATOM 548 C MET A 452 42.643 13.244 -14.464 1.00 0.00 C ATOM 549 O MET A 452 42.976 14.175 -13.722 1.00 0.00 O ATOM 550 CB MET A 452 42.571 11.028 -13.328 1.00 0.00 C ATOM 551 CG MET A 452 42.299 9.632 -13.808 1.00 0.00 C ATOM 552 SD MET A 452 41.535 8.627 -12.541 1.00 0.00 S ATOM 553 CE MET A 452 41.275 7.145 -13.448 1.00 0.00 C ATOM 0 H MET A 452 44.906 12.347 -13.122 1.00 0.00 H new ATOM 0 HA MET A 452 43.196 11.395 -15.321 1.00 0.00 H new ATOM 0 HB2 MET A 452 43.172 10.982 -12.420 1.00 0.00 H new ATOM 0 HB3 MET A 452 41.627 11.503 -13.062 1.00 0.00 H new ATOM 0 HG2 MET A 452 41.649 9.669 -14.683 1.00 0.00 H new ATOM 0 HG3 MET A 452 43.233 9.169 -14.124 1.00 0.00 H new ATOM 0 HE1 MET A 452 40.205 6.962 -13.547 1.00 0.00 H new ATOM 0 HE2 MET A 452 41.719 7.242 -14.439 1.00 0.00 H new ATOM 0 HE3 MET A 452 41.739 6.311 -12.922 1.00 0.00 H new ATOM 563 N VAL A 453 41.734 13.357 -15.400 1.00 0.00 N ATOM 564 CA VAL A 453 41.046 14.595 -15.663 1.00 0.00 C ATOM 565 C VAL A 453 39.553 14.389 -15.546 1.00 0.00 C ATOM 566 O VAL A 453 38.976 13.599 -16.298 1.00 0.00 O ATOM 567 CB VAL A 453 41.348 15.093 -17.090 1.00 0.00 C ATOM 568 CG1 VAL A 453 40.654 16.423 -17.362 1.00 0.00 C ATOM 569 CG2 VAL A 453 42.849 15.206 -17.324 1.00 0.00 C ATOM 0 H VAL A 453 41.449 12.587 -16.005 1.00 0.00 H new ATOM 0 HA VAL A 453 41.389 15.330 -14.935 1.00 0.00 H new ATOM 0 HB VAL A 453 40.954 14.357 -17.791 1.00 0.00 H new ATOM 0 HG11 VAL A 453 40.883 16.752 -18.375 1.00 0.00 H new ATOM 0 HG12 VAL A 453 39.576 16.299 -17.256 1.00 0.00 H new ATOM 0 HG13 VAL A 453 41.006 17.169 -16.650 1.00 0.00 H new ATOM 0 HG21 VAL A 453 43.033 15.559 -18.338 1.00 0.00 H new ATOM 0 HG22 VAL A 453 43.276 15.911 -16.611 1.00 0.00 H new ATOM 0 HG23 VAL A 453 43.313 14.229 -17.190 1.00 0.00 H new ATOM 579 N CYS A 454 38.923 15.079 -14.611 1.00 0.00 N ATOM 580 CA CYS A 454 37.492 14.981 -14.481 1.00 0.00 C ATOM 581 C CYS A 454 36.837 15.594 -15.696 1.00 0.00 C ATOM 582 O CYS A 454 36.991 16.790 -15.971 1.00 0.00 O ATOM 583 CB CYS A 454 36.994 15.658 -13.220 1.00 0.00 C ATOM 584 SG CYS A 454 35.208 15.478 -12.969 1.00 0.00 S ATOM 0 H CYS A 454 39.377 15.702 -13.943 1.00 0.00 H new ATOM 0 HA CYS A 454 37.227 13.926 -14.409 1.00 0.00 H new ATOM 0 HB2 CYS A 454 37.519 15.241 -12.360 1.00 0.00 H new ATOM 0 HB3 CYS A 454 37.243 16.718 -13.262 1.00 0.00 H new ATOM 589 N THR A 455 36.122 14.786 -16.413 1.00 0.00 N ATOM 590 CA THR A 455 35.486 15.214 -17.620 1.00 0.00 C ATOM 591 C THR A 455 34.008 15.565 -17.381 1.00 0.00 C ATOM 592 O THR A 455 33.236 15.739 -18.330 1.00 0.00 O ATOM 593 CB THR A 455 35.658 14.143 -18.734 1.00 0.00 C ATOM 594 OG1 THR A 455 34.864 14.449 -19.887 1.00 0.00 O ATOM 595 CG2 THR A 455 35.326 12.762 -18.213 1.00 0.00 C ATOM 0 H THR A 455 35.962 13.807 -16.177 1.00 0.00 H new ATOM 0 HA THR A 455 35.974 16.127 -17.960 1.00 0.00 H new ATOM 0 HB THR A 455 36.705 14.155 -19.037 1.00 0.00 H new ATOM 0 HG1 THR A 455 34.202 15.134 -19.656 1.00 0.00 H new ATOM 0 HG21 THR A 455 35.454 12.031 -19.012 1.00 0.00 H new ATOM 0 HG22 THR A 455 35.991 12.516 -17.385 1.00 0.00 H new ATOM 0 HG23 THR A 455 34.293 12.743 -17.866 1.00 0.00 H new ATOM 603 N ARG A 456 33.621 15.694 -16.111 1.00 0.00 N ATOM 604 CA ARG A 456 32.261 16.094 -15.789 1.00 0.00 C ATOM 605 C ARG A 456 32.058 17.547 -16.173 1.00 0.00 C ATOM 606 O ARG A 456 32.880 18.403 -15.831 1.00 0.00 O ATOM 607 CB ARG A 456 31.962 15.927 -14.295 1.00 0.00 C ATOM 608 CG ARG A 456 30.582 16.451 -13.900 1.00 0.00 C ATOM 609 CD ARG A 456 30.457 16.640 -12.401 1.00 0.00 C ATOM 610 NE ARG A 456 29.196 17.291 -12.032 1.00 0.00 N ATOM 611 CZ ARG A 456 29.103 18.373 -11.243 1.00 0.00 C ATOM 612 NH1 ARG A 456 30.197 18.917 -10.709 1.00 0.00 N ATOM 613 NH2 ARG A 456 27.914 18.904 -10.985 1.00 0.00 N ATOM 0 H ARG A 456 34.223 15.529 -15.304 1.00 0.00 H new ATOM 0 HA ARG A 456 31.582 15.451 -16.349 1.00 0.00 H new ATOM 0 HB2 ARG A 456 32.033 14.872 -14.032 1.00 0.00 H new ATOM 0 HB3 ARG A 456 32.723 16.452 -13.717 1.00 0.00 H new ATOM 0 HG2 ARG A 456 30.397 17.400 -14.402 1.00 0.00 H new ATOM 0 HG3 ARG A 456 29.817 15.754 -14.243 1.00 0.00 H new ATOM 0 HD2 ARG A 456 30.523 15.671 -11.907 1.00 0.00 H new ATOM 0 HD3 ARG A 456 31.293 17.239 -12.040 1.00 0.00 H new ATOM 0 HE ARG A 456 28.331 16.895 -12.400 1.00 0.00 H new ATOM 0 HH11 ARG A 456 31.113 18.511 -10.899 1.00 0.00 H new ATOM 0 HH12 ARG A 456 30.118 19.739 -10.111 1.00 0.00 H new ATOM 0 HH21 ARG A 456 27.073 18.490 -11.386 1.00 0.00 H new ATOM 0 HH22 ARG A 456 27.842 19.726 -10.386 1.00 0.00 H new ATOM 627 N ALA A 457 30.985 17.824 -16.884 1.00 0.00 N ATOM 628 CA ALA A 457 30.673 19.184 -17.280 1.00 0.00 C ATOM 629 C ALA A 457 30.357 20.029 -16.053 1.00 0.00 C ATOM 630 O ALA A 457 29.288 19.900 -15.451 1.00 0.00 O ATOM 631 CB ALA A 457 29.511 19.199 -18.261 1.00 0.00 C ATOM 0 H ALA A 457 30.313 17.125 -17.201 1.00 0.00 H new ATOM 0 HA ALA A 457 31.542 19.613 -17.778 1.00 0.00 H new ATOM 0 HB1 ALA A 457 29.290 20.227 -18.548 1.00 0.00 H new ATOM 0 HB2 ALA A 457 29.776 18.624 -19.148 1.00 0.00 H new ATOM 0 HB3 ALA A 457 28.633 18.757 -17.791 1.00 0.00 H new ATOM 637 N GLY A 458 31.303 20.866 -15.667 1.00 0.00 N ATOM 638 CA GLY A 458 31.116 21.712 -14.514 1.00 0.00 C ATOM 639 C GLY A 458 32.224 21.546 -13.495 1.00 0.00 C ATOM 640 O GLY A 458 32.495 22.454 -12.704 1.00 0.00 O ATOM 0 H GLY A 458 32.202 20.974 -16.136 1.00 0.00 H new ATOM 0 HA2 GLY A 458 31.072 22.753 -14.833 1.00 0.00 H new ATOM 0 HA3 GLY A 458 30.158 21.481 -14.048 1.00 0.00 H new ATOM 644 N CYS A 459 32.874 20.390 -13.515 1.00 0.00 N ATOM 645 CA CYS A 459 33.949 20.107 -12.578 1.00 0.00 C ATOM 646 C CYS A 459 35.286 20.529 -13.180 1.00 0.00 C ATOM 647 O CYS A 459 35.807 21.606 -12.867 1.00 0.00 O ATOM 648 CB CYS A 459 33.967 18.610 -12.221 1.00 0.00 C ATOM 649 SG CYS A 459 34.899 18.193 -10.702 1.00 0.00 S ATOM 0 H CYS A 459 32.674 19.634 -14.170 1.00 0.00 H new ATOM 0 HA CYS A 459 33.781 20.675 -11.663 1.00 0.00 H new ATOM 0 HB2 CYS A 459 32.939 18.266 -12.105 1.00 0.00 H new ATOM 0 HB3 CYS A 459 34.396 18.057 -13.057 1.00 0.00 H new ATOM 654 N GLY A 460 35.816 19.693 -14.064 1.00 0.00 N ATOM 655 CA GLY A 460 37.084 19.984 -14.703 1.00 0.00 C ATOM 656 C GLY A 460 38.230 19.950 -13.726 1.00 0.00 C ATOM 657 O GLY A 460 39.184 20.720 -13.842 1.00 0.00 O ATOM 0 H GLY A 460 35.387 18.813 -14.351 1.00 0.00 H new ATOM 0 HA2 GLY A 460 37.264 19.260 -15.498 1.00 0.00 H new ATOM 0 HA3 GLY A 460 37.036 20.967 -15.172 1.00 0.00 H new ATOM 661 N PHE A 461 38.138 19.064 -12.758 1.00 0.00 N ATOM 662 CA PHE A 461 39.147 18.944 -11.735 1.00 0.00 C ATOM 663 C PHE A 461 40.183 17.891 -12.119 1.00 0.00 C ATOM 664 O PHE A 461 39.835 16.768 -12.477 1.00 0.00 O ATOM 665 CB PHE A 461 38.485 18.583 -10.407 1.00 0.00 C ATOM 666 CG PHE A 461 39.399 18.665 -9.227 1.00 0.00 C ATOM 667 CD1 PHE A 461 39.679 19.887 -8.642 1.00 0.00 C ATOM 668 CD2 PHE A 461 39.971 17.526 -8.696 1.00 0.00 C ATOM 669 CE1 PHE A 461 40.512 19.970 -7.550 1.00 0.00 C ATOM 670 CE2 PHE A 461 40.807 17.602 -7.607 1.00 0.00 C ATOM 671 CZ PHE A 461 41.078 18.827 -7.031 1.00 0.00 C ATOM 0 H PHE A 461 37.362 18.409 -12.660 1.00 0.00 H new ATOM 0 HA PHE A 461 39.662 19.899 -11.631 1.00 0.00 H new ATOM 0 HB2 PHE A 461 37.637 19.248 -10.243 1.00 0.00 H new ATOM 0 HB3 PHE A 461 38.087 17.571 -10.475 1.00 0.00 H new ATOM 0 HD1 PHE A 461 39.239 20.786 -9.047 1.00 0.00 H new ATOM 0 HD2 PHE A 461 39.759 16.565 -9.141 1.00 0.00 H new ATOM 0 HE1 PHE A 461 40.721 20.930 -7.101 1.00 0.00 H new ATOM 0 HE2 PHE A 461 41.251 16.704 -7.203 1.00 0.00 H new ATOM 0 HZ PHE A 461 41.733 18.889 -6.175 1.00 0.00 H new ATOM 681 N GLU A 462 41.445 18.259 -12.057 1.00 0.00 N ATOM 682 CA GLU A 462 42.522 17.338 -12.378 1.00 0.00 C ATOM 683 C GLU A 462 43.167 16.815 -11.113 1.00 0.00 C ATOM 684 O GLU A 462 43.207 17.506 -10.095 1.00 0.00 O ATOM 685 CB GLU A 462 43.569 18.007 -13.256 1.00 0.00 C ATOM 686 CG GLU A 462 43.066 18.391 -14.629 1.00 0.00 C ATOM 687 CD GLU A 462 44.128 19.070 -15.454 1.00 0.00 C ATOM 688 OE1 GLU A 462 45.102 18.401 -15.840 1.00 0.00 O ATOM 689 OE2 GLU A 462 43.999 20.286 -15.711 1.00 0.00 O ATOM 0 H GLU A 462 41.754 19.193 -11.786 1.00 0.00 H new ATOM 0 HA GLU A 462 42.093 16.501 -12.929 1.00 0.00 H new ATOM 0 HB2 GLU A 462 43.934 18.901 -12.751 1.00 0.00 H new ATOM 0 HB3 GLU A 462 44.419 17.334 -13.367 1.00 0.00 H new ATOM 0 HG2 GLU A 462 42.719 17.499 -15.150 1.00 0.00 H new ATOM 0 HG3 GLU A 462 42.207 19.055 -14.527 1.00 0.00 H new ATOM 696 N TRP A 463 43.662 15.600 -11.176 1.00 0.00 N ATOM 697 CA TRP A 463 44.301 14.965 -10.036 1.00 0.00 C ATOM 698 C TRP A 463 45.207 13.837 -10.488 1.00 0.00 C ATOM 699 O TRP A 463 44.927 13.169 -11.493 1.00 0.00 O ATOM 700 CB TRP A 463 43.243 14.454 -9.026 1.00 0.00 C ATOM 701 CG TRP A 463 42.038 13.777 -9.652 1.00 0.00 C ATOM 702 CD1 TRP A 463 41.038 14.381 -10.365 1.00 0.00 C ATOM 703 CD2 TRP A 463 41.695 12.384 -9.591 1.00 0.00 C ATOM 704 NE1 TRP A 463 40.112 13.455 -10.762 1.00 0.00 N ATOM 705 CE2 TRP A 463 40.484 12.224 -10.301 1.00 0.00 C ATOM 706 CE3 TRP A 463 42.288 11.259 -9.015 1.00 0.00 C ATOM 707 CZ2 TRP A 463 39.861 10.992 -10.443 1.00 0.00 C ATOM 708 CZ3 TRP A 463 41.665 10.031 -9.161 1.00 0.00 C ATOM 709 CH2 TRP A 463 40.461 9.909 -9.870 1.00 0.00 C ATOM 0 H TRP A 463 43.635 15.021 -12.015 1.00 0.00 H new ATOM 0 HA TRP A 463 44.915 15.711 -9.532 1.00 0.00 H new ATOM 0 HB2 TRP A 463 43.722 13.752 -8.344 1.00 0.00 H new ATOM 0 HB3 TRP A 463 42.898 15.296 -8.426 1.00 0.00 H new ATOM 0 HD1 TRP A 463 40.987 15.438 -10.583 1.00 0.00 H new ATOM 0 HE1 TRP A 463 39.277 13.652 -11.314 1.00 0.00 H new ATOM 0 HE3 TRP A 463 43.214 11.345 -8.466 1.00 0.00 H new ATOM 0 HZ2 TRP A 463 38.934 10.894 -10.988 1.00 0.00 H new ATOM 0 HZ3 TRP A 463 42.114 9.152 -8.722 1.00 0.00 H new ATOM 0 HH2 TRP A 463 39.999 8.937 -9.964 1.00 0.00 H new ATOM 720 N CYS A 464 46.313 13.634 -9.776 1.00 0.00 N ATOM 721 CA CYS A 464 47.215 12.558 -10.118 1.00 0.00 C ATOM 722 C CYS A 464 46.597 11.215 -9.733 1.00 0.00 C ATOM 723 O CYS A 464 45.975 11.092 -8.690 1.00 0.00 O ATOM 724 CB CYS A 464 48.616 12.755 -9.495 1.00 0.00 C ATOM 725 SG CYS A 464 48.661 13.395 -7.784 1.00 0.00 S ATOM 0 H CYS A 464 46.596 14.195 -8.973 1.00 0.00 H new ATOM 0 HA CYS A 464 47.363 12.567 -11.198 1.00 0.00 H new ATOM 0 HB2 CYS A 464 49.137 11.798 -9.516 1.00 0.00 H new ATOM 0 HB3 CYS A 464 49.180 13.438 -10.130 1.00 0.00 H new ATOM 730 N TRP A 465 46.775 10.231 -10.594 1.00 0.00 N ATOM 731 CA TRP A 465 46.194 8.891 -10.428 1.00 0.00 C ATOM 732 C TRP A 465 46.413 8.332 -9.018 1.00 0.00 C ATOM 733 O TRP A 465 45.509 7.736 -8.426 1.00 0.00 O ATOM 734 CB TRP A 465 46.808 7.953 -11.472 1.00 0.00 C ATOM 735 CG TRP A 465 46.247 6.564 -11.510 1.00 0.00 C ATOM 736 CD1 TRP A 465 46.429 5.570 -10.593 1.00 0.00 C ATOM 737 CD2 TRP A 465 45.450 6.007 -12.550 1.00 0.00 C ATOM 738 NE1 TRP A 465 45.764 4.437 -10.987 1.00 0.00 N ATOM 739 CE2 TRP A 465 45.161 4.678 -12.188 1.00 0.00 C ATOM 740 CE3 TRP A 465 44.944 6.506 -13.748 1.00 0.00 C ATOM 741 CZ2 TRP A 465 44.388 3.844 -12.986 1.00 0.00 C ATOM 742 CZ3 TRP A 465 44.181 5.679 -14.539 1.00 0.00 C ATOM 743 CH2 TRP A 465 43.910 4.359 -14.152 1.00 0.00 C ATOM 0 H TRP A 465 47.332 10.330 -11.442 1.00 0.00 H new ATOM 0 HA TRP A 465 45.116 8.966 -10.572 1.00 0.00 H new ATOM 0 HB2 TRP A 465 46.681 8.403 -12.457 1.00 0.00 H new ATOM 0 HB3 TRP A 465 47.880 7.887 -11.288 1.00 0.00 H new ATOM 0 HD1 TRP A 465 47.012 5.662 -9.689 1.00 0.00 H new ATOM 0 HE1 TRP A 465 45.726 3.559 -10.468 1.00 0.00 H new ATOM 0 HE3 TRP A 465 45.147 7.523 -14.050 1.00 0.00 H new ATOM 0 HZ2 TRP A 465 44.175 2.827 -12.693 1.00 0.00 H new ATOM 0 HZ3 TRP A 465 43.785 6.052 -15.472 1.00 0.00 H new ATOM 0 HH2 TRP A 465 43.307 3.735 -14.795 1.00 0.00 H new ATOM 754 N VAL A 466 47.608 8.516 -8.488 1.00 0.00 N ATOM 755 CA VAL A 466 47.937 7.990 -7.181 1.00 0.00 C ATOM 756 C VAL A 466 47.316 8.818 -6.037 1.00 0.00 C ATOM 757 O VAL A 466 46.891 8.259 -5.022 1.00 0.00 O ATOM 758 CB VAL A 466 49.461 7.902 -6.999 1.00 0.00 C ATOM 759 CG1 VAL A 466 49.822 7.288 -5.664 1.00 0.00 C ATOM 760 CG2 VAL A 466 50.083 7.116 -8.140 1.00 0.00 C ATOM 0 H VAL A 466 48.365 9.026 -8.944 1.00 0.00 H new ATOM 0 HA VAL A 466 47.508 6.989 -7.129 1.00 0.00 H new ATOM 0 HB VAL A 466 49.863 8.915 -7.014 1.00 0.00 H new ATOM 0 HG11 VAL A 466 50.907 7.240 -5.567 1.00 0.00 H new ATOM 0 HG12 VAL A 466 49.412 7.899 -4.860 1.00 0.00 H new ATOM 0 HG13 VAL A 466 49.408 6.282 -5.602 1.00 0.00 H new ATOM 0 HG21 VAL A 466 51.162 7.062 -7.998 1.00 0.00 H new ATOM 0 HG22 VAL A 466 49.668 6.108 -8.156 1.00 0.00 H new ATOM 0 HG23 VAL A 466 49.866 7.613 -9.085 1.00 0.00 H new ATOM 770 N CYS A 467 47.244 10.132 -6.205 1.00 0.00 N ATOM 771 CA CYS A 467 46.722 10.995 -5.150 1.00 0.00 C ATOM 772 C CYS A 467 45.338 11.534 -5.496 1.00 0.00 C ATOM 773 O CYS A 467 45.205 12.497 -6.245 1.00 0.00 O ATOM 774 CB CYS A 467 47.678 12.149 -4.889 1.00 0.00 C ATOM 775 SG CYS A 467 49.412 11.641 -4.598 1.00 0.00 S ATOM 0 H CYS A 467 47.536 10.621 -7.051 1.00 0.00 H new ATOM 0 HA CYS A 467 46.631 10.391 -4.247 1.00 0.00 H new ATOM 0 HB2 CYS A 467 47.649 12.829 -5.741 1.00 0.00 H new ATOM 0 HB3 CYS A 467 47.325 12.708 -4.022 1.00 0.00 H new ATOM 780 N GLN A 468 44.317 10.927 -4.915 1.00 0.00 N ATOM 781 CA GLN A 468 42.932 11.325 -5.171 1.00 0.00 C ATOM 782 C GLN A 468 42.550 12.580 -4.383 1.00 0.00 C ATOM 783 O GLN A 468 41.499 12.630 -3.744 1.00 0.00 O ATOM 784 CB GLN A 468 41.981 10.183 -4.818 1.00 0.00 C ATOM 785 CG GLN A 468 42.154 8.947 -5.682 1.00 0.00 C ATOM 786 CD GLN A 468 41.208 7.830 -5.299 1.00 0.00 C ATOM 787 OE1 GLN A 468 40.106 8.069 -4.803 1.00 0.00 O ATOM 788 NE2 GLN A 468 41.622 6.603 -5.531 1.00 0.00 N ATOM 0 H GLN A 468 44.416 10.152 -4.259 1.00 0.00 H new ATOM 0 HA GLN A 468 42.847 11.555 -6.233 1.00 0.00 H new ATOM 0 HB2 GLN A 468 42.131 9.908 -3.774 1.00 0.00 H new ATOM 0 HB3 GLN A 468 40.954 10.537 -4.910 1.00 0.00 H new ATOM 0 HG2 GLN A 468 41.992 9.213 -6.726 1.00 0.00 H new ATOM 0 HG3 GLN A 468 43.181 8.592 -5.600 1.00 0.00 H new ATOM 0 HE21 GLN A 468 42.541 6.444 -5.943 1.00 0.00 H new ATOM 0 HE22 GLN A 468 41.024 5.810 -5.299 1.00 0.00 H new ATOM 797 N THR A 469 43.392 13.583 -4.437 1.00 0.00 N ATOM 798 CA THR A 469 43.136 14.831 -3.752 1.00 0.00 C ATOM 799 C THR A 469 43.059 15.980 -4.735 1.00 0.00 C ATOM 800 O THR A 469 42.032 16.655 -4.842 1.00 0.00 O ATOM 801 CB THR A 469 44.213 15.122 -2.693 1.00 0.00 C ATOM 802 OG1 THR A 469 45.489 14.633 -3.142 1.00 0.00 O ATOM 803 CG2 THR A 469 43.851 14.472 -1.369 1.00 0.00 C ATOM 0 H THR A 469 44.271 13.560 -4.954 1.00 0.00 H new ATOM 0 HA THR A 469 42.175 14.732 -3.247 1.00 0.00 H new ATOM 0 HB THR A 469 44.271 16.201 -2.548 1.00 0.00 H new ATOM 0 HG1 THR A 469 46.170 14.824 -2.463 1.00 0.00 H new ATOM 0 HG21 THR A 469 44.625 14.690 -0.633 1.00 0.00 H new ATOM 0 HG22 THR A 469 42.897 14.866 -1.019 1.00 0.00 H new ATOM 0 HG23 THR A 469 43.771 13.393 -1.503 1.00 0.00 H new ATOM 811 N GLU A 470 44.144 16.193 -5.442 1.00 0.00 N ATOM 812 CA GLU A 470 44.244 17.229 -6.437 1.00 0.00 C ATOM 813 C GLU A 470 45.474 16.996 -7.281 1.00 0.00 C ATOM 814 O GLU A 470 46.286 16.119 -6.965 1.00 0.00 O ATOM 815 CB GLU A 470 44.352 18.594 -5.764 1.00 0.00 C ATOM 816 CG GLU A 470 45.563 18.743 -4.845 1.00 0.00 C ATOM 817 CD GLU A 470 45.729 20.154 -4.326 1.00 0.00 C ATOM 818 OE1 GLU A 470 44.967 20.554 -3.420 1.00 0.00 O ATOM 819 OE2 GLU A 470 46.621 20.876 -4.826 1.00 0.00 O ATOM 0 H GLU A 470 44.995 15.641 -5.338 1.00 0.00 H new ATOM 0 HA GLU A 470 43.352 17.206 -7.063 1.00 0.00 H new ATOM 0 HB2 GLU A 470 44.397 19.364 -6.534 1.00 0.00 H new ATOM 0 HB3 GLU A 470 43.446 18.774 -5.185 1.00 0.00 H new ATOM 0 HG2 GLU A 470 45.461 18.059 -4.002 1.00 0.00 H new ATOM 0 HG3 GLU A 470 46.463 18.450 -5.386 1.00 0.00 H new ATOM 826 N TRP A 471 45.614 17.758 -8.361 1.00 0.00 N ATOM 827 CA TRP A 471 46.807 17.687 -9.167 1.00 0.00 C ATOM 828 C TRP A 471 47.964 18.286 -8.362 1.00 0.00 C ATOM 829 O TRP A 471 48.244 19.481 -8.411 1.00 0.00 O ATOM 830 CB TRP A 471 46.609 18.375 -10.559 1.00 0.00 C ATOM 831 CG TRP A 471 46.449 19.884 -10.538 1.00 0.00 C ATOM 832 CD1 TRP A 471 47.375 20.802 -10.949 1.00 0.00 C ATOM 833 CD2 TRP A 471 45.307 20.646 -10.095 1.00 0.00 C ATOM 834 NE1 TRP A 471 46.891 22.071 -10.785 1.00 0.00 N ATOM 835 CE2 TRP A 471 45.628 22.006 -10.263 1.00 0.00 C ATOM 836 CE3 TRP A 471 44.055 20.315 -9.570 1.00 0.00 C ATOM 837 CZ2 TRP A 471 44.745 23.029 -9.929 1.00 0.00 C ATOM 838 CZ3 TRP A 471 43.181 21.331 -9.242 1.00 0.00 C ATOM 839 CH2 TRP A 471 43.529 22.672 -9.422 1.00 0.00 C ATOM 0 H TRP A 471 44.916 18.425 -8.689 1.00 0.00 H new ATOM 0 HA TRP A 471 47.042 16.648 -9.398 1.00 0.00 H new ATOM 0 HB2 TRP A 471 47.464 18.129 -11.189 1.00 0.00 H new ATOM 0 HB3 TRP A 471 45.728 17.943 -11.034 1.00 0.00 H new ATOM 0 HD1 TRP A 471 48.350 20.560 -11.346 1.00 0.00 H new ATOM 0 HE1 TRP A 471 47.392 22.929 -11.015 1.00 0.00 H new ATOM 0 HE3 TRP A 471 43.776 19.282 -9.424 1.00 0.00 H new ATOM 0 HZ2 TRP A 471 45.012 24.066 -10.066 1.00 0.00 H new ATOM 0 HZ3 TRP A 471 42.210 21.085 -8.839 1.00 0.00 H new ATOM 0 HH2 TRP A 471 42.821 23.442 -9.154 1.00 0.00 H new ATOM 850 N THR A 472 48.582 17.447 -7.573 1.00 0.00 N ATOM 851 CA THR A 472 49.607 17.875 -6.664 1.00 0.00 C ATOM 852 C THR A 472 50.852 18.329 -7.414 1.00 0.00 C ATOM 853 O THR A 472 51.464 17.560 -8.147 1.00 0.00 O ATOM 854 CB THR A 472 49.956 16.742 -5.681 1.00 0.00 C ATOM 855 OG1 THR A 472 48.738 16.171 -5.164 1.00 0.00 O ATOM 856 CG2 THR A 472 50.787 17.266 -4.522 1.00 0.00 C ATOM 0 H THR A 472 48.387 16.446 -7.544 1.00 0.00 H new ATOM 0 HA THR A 472 49.225 18.726 -6.100 1.00 0.00 H new ATOM 0 HB THR A 472 50.535 15.987 -6.214 1.00 0.00 H new ATOM 0 HG1 THR A 472 48.955 15.448 -4.539 1.00 0.00 H new ATOM 0 HG21 THR A 472 51.020 16.447 -3.842 1.00 0.00 H new ATOM 0 HG22 THR A 472 51.713 17.696 -4.903 1.00 0.00 H new ATOM 0 HG23 THR A 472 50.224 18.032 -3.988 1.00 0.00 H new ATOM 864 N ARG A 473 51.214 19.595 -7.233 1.00 0.00 N ATOM 865 CA ARG A 473 52.385 20.155 -7.887 1.00 0.00 C ATOM 866 C ARG A 473 53.655 19.631 -7.249 1.00 0.00 C ATOM 867 O ARG A 473 54.733 19.711 -7.826 1.00 0.00 O ATOM 868 CB ARG A 473 52.348 21.678 -7.870 1.00 0.00 C ATOM 869 CG ARG A 473 51.289 22.262 -8.790 1.00 0.00 C ATOM 870 CD ARG A 473 51.299 23.776 -8.766 1.00 0.00 C ATOM 871 NE ARG A 473 50.909 24.313 -7.465 1.00 0.00 N ATOM 872 CZ ARG A 473 50.368 25.515 -7.285 1.00 0.00 C ATOM 873 NH1 ARG A 473 50.163 26.321 -8.326 1.00 0.00 N ATOM 874 NH2 ARG A 473 50.028 25.910 -6.069 1.00 0.00 N ATOM 0 H ARG A 473 50.710 20.252 -6.637 1.00 0.00 H new ATOM 0 HA ARG A 473 52.375 19.838 -8.930 1.00 0.00 H new ATOM 0 HB2 ARG A 473 52.163 22.019 -6.851 1.00 0.00 H new ATOM 0 HB3 ARG A 473 53.325 22.062 -8.162 1.00 0.00 H new ATOM 0 HG2 ARG A 473 51.459 21.913 -9.809 1.00 0.00 H new ATOM 0 HG3 ARG A 473 50.306 21.900 -8.489 1.00 0.00 H new ATOM 0 HD2 ARG A 473 52.297 24.134 -9.020 1.00 0.00 H new ATOM 0 HD3 ARG A 473 50.620 24.154 -9.531 1.00 0.00 H new ATOM 0 HE ARG A 473 51.061 23.730 -6.642 1.00 0.00 H new ATOM 0 HH11 ARG A 473 50.421 26.017 -9.265 1.00 0.00 H new ATOM 0 HH12 ARG A 473 49.748 27.242 -8.184 1.00 0.00 H new ATOM 0 HH21 ARG A 473 50.181 25.293 -5.271 1.00 0.00 H new ATOM 0 HH22 ARG A 473 49.613 26.831 -5.929 1.00 0.00 H new ATOM 888 N ASP A 474 53.522 19.094 -6.052 1.00 0.00 N ATOM 889 CA ASP A 474 54.638 18.440 -5.395 1.00 0.00 C ATOM 890 C ASP A 474 54.876 17.089 -6.064 1.00 0.00 C ATOM 891 O ASP A 474 55.974 16.538 -6.031 1.00 0.00 O ATOM 892 CB ASP A 474 54.357 18.255 -3.905 1.00 0.00 C ATOM 893 CG ASP A 474 55.516 17.618 -3.174 1.00 0.00 C ATOM 894 OD1 ASP A 474 56.530 18.307 -2.944 1.00 0.00 O ATOM 895 OD2 ASP A 474 55.410 16.429 -2.808 1.00 0.00 O ATOM 0 H ASP A 474 52.655 19.097 -5.515 1.00 0.00 H new ATOM 0 HA ASP A 474 55.529 19.061 -5.489 1.00 0.00 H new ATOM 0 HB2 ASP A 474 54.137 19.224 -3.457 1.00 0.00 H new ATOM 0 HB3 ASP A 474 53.468 17.637 -3.780 1.00 0.00 H new ATOM 900 N CYS A 475 53.820 16.577 -6.695 1.00 0.00 N ATOM 901 CA CYS A 475 53.877 15.333 -7.443 1.00 0.00 C ATOM 902 C CYS A 475 54.195 15.610 -8.908 1.00 0.00 C ATOM 903 O CYS A 475 54.104 14.709 -9.751 1.00 0.00 O ATOM 904 CB CYS A 475 52.551 14.601 -7.368 1.00 0.00 C ATOM 905 SG CYS A 475 52.052 14.044 -5.699 1.00 0.00 S ATOM 0 H CYS A 475 52.901 17.019 -6.699 1.00 0.00 H new ATOM 0 HA CYS A 475 54.660 14.716 -7.002 1.00 0.00 H new ATOM 0 HB2 CYS A 475 51.772 15.254 -7.762 1.00 0.00 H new ATOM 0 HB3 CYS A 475 52.599 13.731 -8.023 1.00 0.00 H new ATOM 910 N MET A 476 54.539 16.854 -9.212 1.00 0.00 N ATOM 911 CA MET A 476 54.867 17.254 -10.571 1.00 0.00 C ATOM 912 C MET A 476 56.095 16.511 -11.057 1.00 0.00 C ATOM 913 O MET A 476 57.214 16.787 -10.627 1.00 0.00 O ATOM 914 CB MET A 476 55.077 18.767 -10.648 1.00 0.00 C ATOM 915 CG MET A 476 55.576 19.272 -11.989 1.00 0.00 C ATOM 916 SD MET A 476 55.765 21.066 -12.024 1.00 0.00 S ATOM 917 CE MET A 476 54.080 21.588 -11.694 1.00 0.00 C ATOM 0 H MET A 476 54.598 17.609 -8.528 1.00 0.00 H new ATOM 0 HA MET A 476 54.032 16.995 -11.222 1.00 0.00 H new ATOM 0 HB2 MET A 476 54.134 19.263 -10.417 1.00 0.00 H new ATOM 0 HB3 MET A 476 55.789 19.061 -9.877 1.00 0.00 H new ATOM 0 HG2 MET A 476 56.534 18.804 -12.216 1.00 0.00 H new ATOM 0 HG3 MET A 476 54.880 18.968 -12.770 1.00 0.00 H new ATOM 0 HE1 MET A 476 53.842 22.458 -12.306 1.00 0.00 H new ATOM 0 HE2 MET A 476 53.394 20.776 -11.936 1.00 0.00 H new ATOM 0 HE3 MET A 476 53.979 21.847 -10.640 1.00 0.00 H new ATOM 927 N GLY A 477 55.874 15.558 -11.940 1.00 0.00 N ATOM 928 CA GLY A 477 56.953 14.747 -12.445 1.00 0.00 C ATOM 929 C GLY A 477 56.946 13.372 -11.816 1.00 0.00 C ATOM 930 O GLY A 477 57.434 12.406 -12.402 1.00 0.00 O ATOM 0 H GLY A 477 54.955 15.329 -12.320 1.00 0.00 H new ATOM 0 HA2 GLY A 477 56.866 14.655 -13.528 1.00 0.00 H new ATOM 0 HA3 GLY A 477 57.905 15.237 -12.243 1.00 0.00 H new ATOM 934 N ALA A 478 56.371 13.282 -10.623 1.00 0.00 N ATOM 935 CA ALA A 478 56.280 12.024 -9.908 1.00 0.00 C ATOM 936 C ALA A 478 55.228 11.136 -10.544 1.00 0.00 C ATOM 937 O ALA A 478 55.456 9.950 -10.768 1.00 0.00 O ATOM 938 CB ALA A 478 55.965 12.263 -8.437 1.00 0.00 C ATOM 0 H ALA A 478 55.959 14.075 -10.131 1.00 0.00 H new ATOM 0 HA ALA A 478 57.244 11.519 -9.969 1.00 0.00 H new ATOM 0 HB1 ALA A 478 55.901 11.306 -7.919 1.00 0.00 H new ATOM 0 HB2 ALA A 478 56.755 12.866 -7.989 1.00 0.00 H new ATOM 0 HB3 ALA A 478 55.014 12.788 -8.349 1.00 0.00 H new ATOM 944 N HIS A 479 54.069 11.706 -10.830 1.00 0.00 N ATOM 945 CA HIS A 479 53.019 10.958 -11.502 1.00 0.00 C ATOM 946 C HIS A 479 52.908 11.423 -12.948 1.00 0.00 C ATOM 947 O HIS A 479 53.800 11.156 -13.751 1.00 0.00 O ATOM 948 CB HIS A 479 51.659 11.099 -10.789 1.00 0.00 C ATOM 949 CG HIS A 479 51.695 10.872 -9.310 1.00 0.00 C ATOM 950 ND1 HIS A 479 51.472 11.742 -8.310 1.00 0.00 N flip ATOM 951 CD2 HIS A 479 51.991 9.677 -8.712 1.00 0.00 C flip ATOM 952 CE1 HIS A 479 51.628 11.111 -7.090 1.00 0.00 C flip ATOM 953 NE2 HIS A 479 51.945 9.864 -7.382 1.00 0.00 N flip ATOM 0 H HIS A 479 53.833 12.674 -10.610 1.00 0.00 H new ATOM 0 HA HIS A 479 53.288 9.902 -11.473 1.00 0.00 H new ATOM 0 HB2 HIS A 479 51.268 12.099 -10.979 1.00 0.00 H new ATOM 0 HB3 HIS A 479 50.958 10.393 -11.233 1.00 0.00 H new ATOM 0 HD2 HIS A 479 52.220 8.751 -9.218 1.00 0.00 H new ATOM 0 HE1 HIS A 479 51.515 11.546 -6.108 1.00 0.00 H new ATOM 0 HE2 HIS A 479 52.131 9.138 -6.690 1.00 0.00 H new ATOM 961 N TRP A 480 51.819 12.144 -13.259 1.00 0.00 N ATOM 962 CA TRP A 480 51.561 12.698 -14.599 1.00 0.00 C ATOM 963 C TRP A 480 51.442 11.602 -15.663 1.00 0.00 C ATOM 964 O TRP A 480 50.349 11.293 -16.123 1.00 0.00 O ATOM 965 CB TRP A 480 52.634 13.709 -14.994 1.00 0.00 C ATOM 966 CG TRP A 480 52.640 15.009 -14.212 1.00 0.00 C ATOM 967 CD1 TRP A 480 53.502 16.040 -14.418 1.00 0.00 C ATOM 968 CD2 TRP A 480 51.764 15.437 -13.121 1.00 0.00 C ATOM 969 NE1 TRP A 480 53.246 17.066 -13.553 1.00 0.00 N ATOM 970 CE2 TRP A 480 52.193 16.733 -12.750 1.00 0.00 C ATOM 971 CE3 TRP A 480 50.669 14.870 -12.419 1.00 0.00 C ATOM 972 CZ2 TRP A 480 51.587 17.460 -11.731 1.00 0.00 C ATOM 973 CZ3 TRP A 480 50.076 15.609 -11.410 1.00 0.00 C ATOM 974 CH2 TRP A 480 50.537 16.886 -11.078 1.00 0.00 C ATOM 0 H TRP A 480 51.087 12.361 -12.583 1.00 0.00 H new ATOM 0 HA TRP A 480 50.601 13.212 -14.547 1.00 0.00 H new ATOM 0 HB2 TRP A 480 53.610 13.236 -14.883 1.00 0.00 H new ATOM 0 HB3 TRP A 480 52.512 13.944 -16.051 1.00 0.00 H new ATOM 0 HD1 TRP A 480 54.283 16.047 -15.164 1.00 0.00 H new ATOM 0 HE1 TRP A 480 53.762 17.945 -13.513 1.00 0.00 H new ATOM 0 HE3 TRP A 480 50.306 13.883 -12.667 1.00 0.00 H new ATOM 0 HZ2 TRP A 480 51.937 18.447 -11.466 1.00 0.00 H new ATOM 0 HZ3 TRP A 480 49.240 15.191 -10.869 1.00 0.00 H new ATOM 0 HH2 TRP A 480 50.049 17.432 -10.284 1.00 0.00 H new ATOM 985 N PHE A 481 52.560 11.023 -16.047 1.00 0.00 N ATOM 986 CA PHE A 481 52.569 9.953 -17.021 1.00 0.00 C ATOM 987 C PHE A 481 52.782 8.615 -16.310 1.00 0.00 C ATOM 988 O PHE A 481 52.263 7.589 -16.727 1.00 0.00 O ATOM 989 CB PHE A 481 53.659 10.189 -18.072 1.00 0.00 C ATOM 990 CG PHE A 481 53.571 9.272 -19.265 1.00 0.00 C ATOM 991 CD1 PHE A 481 54.212 8.043 -19.268 1.00 0.00 C ATOM 992 CD2 PHE A 481 52.847 9.645 -20.384 1.00 0.00 C ATOM 993 CE1 PHE A 481 54.130 7.204 -20.362 1.00 0.00 C ATOM 994 CE2 PHE A 481 52.759 8.809 -21.482 1.00 0.00 C ATOM 995 CZ PHE A 481 53.402 7.588 -21.471 1.00 0.00 C ATOM 0 H PHE A 481 53.483 11.279 -15.695 1.00 0.00 H new ATOM 0 HA PHE A 481 51.608 9.931 -17.535 1.00 0.00 H new ATOM 0 HB2 PHE A 481 53.600 11.222 -18.416 1.00 0.00 H new ATOM 0 HB3 PHE A 481 54.635 10.064 -17.602 1.00 0.00 H new ATOM 0 HD1 PHE A 481 54.783 7.738 -18.404 1.00 0.00 H new ATOM 0 HD2 PHE A 481 52.345 10.601 -20.400 1.00 0.00 H new ATOM 0 HE1 PHE A 481 54.634 6.249 -20.350 1.00 0.00 H new ATOM 0 HE2 PHE A 481 52.188 9.111 -22.347 1.00 0.00 H new ATOM 0 HZ PHE A 481 53.336 6.934 -22.328 1.00 0.00 H new ATOM 1005 N GLY A 482 53.526 8.649 -15.223 1.00 0.00 N ATOM 1006 CA GLY A 482 53.777 7.453 -14.458 1.00 0.00 C ATOM 1007 C GLY A 482 55.001 7.594 -13.602 1.00 0.00 C ATOM 1008 O GLY A 482 55.034 7.012 -12.498 1.00 0.00 O ATOM 1009 OXT GLY A 482 55.937 8.291 -14.030 1.00 0.00 O ATOM 0 H GLY A 482 53.965 9.492 -14.853 1.00 0.00 H new ATOM 0 HA2 GLY A 482 52.914 7.235 -13.828 1.00 0.00 H new ATOM 0 HA3 GLY A 482 53.900 6.607 -15.134 1.00 0.00 H new TER 1013 GLY A 482 HETATM 1014 ZN ZN A 1 34.847 15.902 -10.830 1.00 0.00 ZN HETATM 1015 ZN ZN A 2 50.244 12.792 -6.289 1.00 0.00 ZN