USER MOD reduce.3.24.130724 H: found=0, std=0, add=484, rem=0, adj=17 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 180:sc= 0 USER MOD Single : A -1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 425 SER OG : rot 180:sc= 0 USER MOD Single : A 426 ASN : amide:sc= -0.859 K(o=-0.86,f=-5.3!) USER MOD Single : A 428 THR OG1 : rot -33:sc= 0.253 USER MOD Single : A 430 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 432 SER OG : rot 180:sc= 0 USER MOD Single : A 433 THR OG1 : rot 180:sc= 0.0236 USER MOD Single : A 434 LYS NZ :NH3+ 149:sc= 1.71 (180deg=-0.663!) USER MOD Single : A 438 LYS NZ :NH3+ -167:sc= 1.11 (180deg=1.01) USER MOD Single : A 441 THR OG1 : rot -66:sc= 0.885 USER MOD Single : A 443 THR OG1 : rot 180:sc= 0 USER MOD Single : A 449 CYS SG : rot 180:sc= 0 USER MOD Single : A 450 MET CE :methyl 174:sc= 0 (180deg=-0.0964) USER MOD Single : A 451 HIS : no HE2:sc= -3.43! C(o=-3.4!,f=-7.8!) USER MOD Single : A 452 MET CE :methyl 144:sc= -1.66 (180deg=-4.23!) USER MOD Single : A 455 THR OG1 : rot -11:sc= 1.04 USER MOD Single : A 468 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 469 THR OG1 : rot 180:sc= 0 USER MOD Single : A 472 THR OG1 : rot -48:sc= 1.73 USER MOD Single : A 476 MET CE :methyl -166:sc= -0.59 (180deg=-0.883) USER MOD Single : A 479 HIS : no HD1:sc= -7.82! C(o=-7.8!,f=-13!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -1 18.964 -16.058 2.621 1.00 0.00 N ATOM 2 CA GLY A -1 18.702 -14.897 3.495 1.00 0.00 C ATOM 3 C GLY A -1 19.946 -14.446 4.233 1.00 0.00 C ATOM 4 O GLY A -1 20.673 -13.575 3.758 1.00 0.00 O ATOM 0 H1 GLY A -1 18.086 -16.333 2.136 1.00 0.00 H new ATOM 0 H2 GLY A -1 19.685 -15.806 1.915 1.00 0.00 H new ATOM 0 H3 GLY A -1 19.306 -16.855 3.195 1.00 0.00 H new ATOM 0 HA2 GLY A -1 18.318 -14.072 2.895 1.00 0.00 H new ATOM 0 HA3 GLY A -1 17.927 -15.155 4.216 1.00 0.00 H new ATOM 10 N SER A 0 20.190 -15.034 5.389 1.00 0.00 N ATOM 11 CA SER A 0 21.356 -14.694 6.188 1.00 0.00 C ATOM 12 C SER A 0 22.485 -15.706 5.960 1.00 0.00 C ATOM 13 O SER A 0 23.661 -15.401 6.179 1.00 0.00 O ATOM 14 CB SER A 0 20.972 -14.634 7.673 1.00 0.00 C ATOM 15 OG SER A 0 22.078 -14.270 8.485 1.00 0.00 O ATOM 0 H SER A 0 19.594 -15.753 5.799 1.00 0.00 H new ATOM 0 HA SER A 0 21.718 -13.713 5.879 1.00 0.00 H new ATOM 0 HB2 SER A 0 20.165 -13.914 7.812 1.00 0.00 H new ATOM 0 HB3 SER A 0 20.591 -15.605 7.990 1.00 0.00 H new ATOM 0 HG SER A 0 21.799 -14.240 9.424 1.00 0.00 H new ATOM 21 N ALA A 417 22.104 -16.918 5.527 1.00 0.00 N ATOM 22 CA ALA A 417 23.054 -18.007 5.243 1.00 0.00 C ATOM 23 C ALA A 417 23.833 -18.414 6.489 1.00 0.00 C ATOM 24 O ALA A 417 24.883 -19.055 6.393 1.00 0.00 O ATOM 25 CB ALA A 417 24.011 -17.614 4.120 1.00 0.00 C ATOM 0 H ALA A 417 21.130 -17.171 5.364 1.00 0.00 H new ATOM 0 HA ALA A 417 22.472 -18.870 4.919 1.00 0.00 H new ATOM 0 HB1 ALA A 417 24.703 -18.434 3.928 1.00 0.00 H new ATOM 0 HB2 ALA A 417 23.442 -17.400 3.215 1.00 0.00 H new ATOM 0 HB3 ALA A 417 24.572 -16.727 4.414 1.00 0.00 H new ATOM 31 N GLU A 418 23.300 -18.047 7.657 1.00 0.00 N ATOM 32 CA GLU A 418 23.930 -18.337 8.944 1.00 0.00 C ATOM 33 C GLU A 418 25.313 -17.678 9.014 1.00 0.00 C ATOM 34 O GLU A 418 26.226 -18.176 9.673 1.00 0.00 O ATOM 35 CB GLU A 418 24.033 -19.856 9.164 1.00 0.00 C ATOM 36 CG GLU A 418 23.656 -20.312 10.571 1.00 0.00 C ATOM 37 CD GLU A 418 24.544 -19.724 11.645 1.00 0.00 C ATOM 38 OE1 GLU A 418 24.228 -18.629 12.157 1.00 0.00 O ATOM 39 OE2 GLU A 418 25.566 -20.354 11.986 1.00 0.00 O ATOM 0 H GLU A 418 22.418 -17.540 7.735 1.00 0.00 H new ATOM 0 HA GLU A 418 23.311 -17.923 9.740 1.00 0.00 H new ATOM 0 HB2 GLU A 418 23.387 -20.360 8.446 1.00 0.00 H new ATOM 0 HB3 GLU A 418 25.054 -20.174 8.953 1.00 0.00 H new ATOM 0 HG2 GLU A 418 22.621 -20.034 10.771 1.00 0.00 H new ATOM 0 HG3 GLU A 418 23.709 -21.400 10.620 1.00 0.00 H new ATOM 46 N ALA A 419 25.451 -16.547 8.339 1.00 0.00 N ATOM 47 CA ALA A 419 26.703 -15.823 8.326 1.00 0.00 C ATOM 48 C ALA A 419 26.529 -14.437 8.915 1.00 0.00 C ATOM 49 O ALA A 419 25.428 -14.055 9.323 1.00 0.00 O ATOM 50 CB ALA A 419 27.252 -15.727 6.917 1.00 0.00 C ATOM 0 H ALA A 419 24.706 -16.114 7.793 1.00 0.00 H new ATOM 0 HA ALA A 419 27.416 -16.373 8.940 1.00 0.00 H new ATOM 0 HB1 ALA A 419 28.194 -15.179 6.930 1.00 0.00 H new ATOM 0 HB2 ALA A 419 27.421 -16.729 6.523 1.00 0.00 H new ATOM 0 HB3 ALA A 419 26.536 -15.204 6.283 1.00 0.00 H new ATOM 56 N ARG A 420 27.613 -13.690 8.953 1.00 0.00 N ATOM 57 CA ARG A 420 27.603 -12.353 9.501 1.00 0.00 C ATOM 58 C ARG A 420 27.181 -11.324 8.453 1.00 0.00 C ATOM 59 O ARG A 420 26.236 -10.563 8.667 1.00 0.00 O ATOM 60 CB ARG A 420 28.977 -12.010 10.065 1.00 0.00 C ATOM 61 CG ARG A 420 29.080 -10.602 10.634 1.00 0.00 C ATOM 62 CD ARG A 420 30.376 -10.403 11.399 1.00 0.00 C ATOM 63 NE ARG A 420 30.385 -11.157 12.650 1.00 0.00 N ATOM 64 CZ ARG A 420 31.144 -10.861 13.707 1.00 0.00 C ATOM 65 NH1 ARG A 420 32.008 -9.854 13.652 1.00 0.00 N ATOM 66 NH2 ARG A 420 31.044 -11.584 14.812 1.00 0.00 N ATOM 0 H ARG A 420 28.523 -13.993 8.605 1.00 0.00 H new ATOM 0 HA ARG A 420 26.870 -12.322 10.307 1.00 0.00 H new ATOM 0 HB2 ARG A 420 29.226 -12.726 10.848 1.00 0.00 H new ATOM 0 HB3 ARG A 420 29.721 -12.128 9.277 1.00 0.00 H new ATOM 0 HG2 ARG A 420 29.020 -9.876 9.823 1.00 0.00 H new ATOM 0 HG3 ARG A 420 28.234 -10.413 11.295 1.00 0.00 H new ATOM 0 HD2 ARG A 420 31.216 -10.716 10.779 1.00 0.00 H new ATOM 0 HD3 ARG A 420 30.514 -9.343 11.612 1.00 0.00 H new ATOM 0 HE ARG A 420 29.768 -11.966 12.721 1.00 0.00 H new ATOM 0 HH11 ARG A 420 32.094 -9.302 12.799 1.00 0.00 H new ATOM 0 HH12 ARG A 420 32.585 -9.633 14.463 1.00 0.00 H new ATOM 0 HH21 ARG A 420 30.388 -12.364 14.853 1.00 0.00 H new ATOM 0 HH22 ARG A 420 31.623 -11.361 15.622 1.00 0.00 H new ATOM 80 N TRP A 421 27.877 -11.297 7.328 1.00 0.00 N ATOM 81 CA TRP A 421 27.540 -10.354 6.276 1.00 0.00 C ATOM 82 C TRP A 421 27.188 -11.064 4.972 1.00 0.00 C ATOM 83 O TRP A 421 26.270 -10.649 4.275 1.00 0.00 O ATOM 84 CB TRP A 421 28.662 -9.311 6.069 1.00 0.00 C ATOM 85 CG TRP A 421 29.974 -9.873 5.603 1.00 0.00 C ATOM 86 CD1 TRP A 421 30.331 -10.144 4.319 1.00 0.00 C ATOM 87 CD2 TRP A 421 31.108 -10.215 6.414 1.00 0.00 C ATOM 88 NE1 TRP A 421 31.609 -10.645 4.277 1.00 0.00 N ATOM 89 CE2 TRP A 421 32.108 -10.695 5.550 1.00 0.00 C ATOM 90 CE3 TRP A 421 31.372 -10.163 7.785 1.00 0.00 C ATOM 91 CZ2 TRP A 421 33.352 -11.121 6.010 1.00 0.00 C ATOM 92 CZ3 TRP A 421 32.606 -10.586 8.241 1.00 0.00 C ATOM 93 CH2 TRP A 421 33.583 -11.059 7.355 1.00 0.00 C ATOM 0 H TRP A 421 28.667 -11.908 7.122 1.00 0.00 H new ATOM 0 HA TRP A 421 26.649 -9.815 6.600 1.00 0.00 H new ATOM 0 HB2 TRP A 421 28.322 -8.573 5.343 1.00 0.00 H new ATOM 0 HB3 TRP A 421 28.824 -8.782 7.008 1.00 0.00 H new ATOM 0 HD1 TRP A 421 29.700 -9.988 3.456 1.00 0.00 H new ATOM 0 HE1 TRP A 421 32.105 -10.933 3.434 1.00 0.00 H new ATOM 0 HE3 TRP A 421 30.626 -9.799 8.476 1.00 0.00 H new ATOM 0 HZ2 TRP A 421 34.106 -11.487 5.329 1.00 0.00 H new ATOM 0 HZ3 TRP A 421 32.821 -10.551 9.299 1.00 0.00 H new ATOM 0 HH2 TRP A 421 34.538 -11.381 7.743 1.00 0.00 H new ATOM 104 N ASP A 422 27.920 -12.148 4.673 1.00 0.00 N ATOM 105 CA ASP A 422 27.724 -12.949 3.445 1.00 0.00 C ATOM 106 C ASP A 422 27.682 -12.082 2.186 1.00 0.00 C ATOM 107 O ASP A 422 26.624 -11.575 1.789 1.00 0.00 O ATOM 108 CB ASP A 422 26.470 -13.832 3.534 1.00 0.00 C ATOM 109 CG ASP A 422 26.256 -14.663 2.277 1.00 0.00 C ATOM 110 OD1 ASP A 422 26.973 -15.672 2.092 1.00 0.00 O ATOM 111 OD2 ASP A 422 25.375 -14.313 1.468 1.00 0.00 O ATOM 0 H ASP A 422 28.666 -12.498 5.274 1.00 0.00 H new ATOM 0 HA ASP A 422 28.594 -13.601 3.366 1.00 0.00 H new ATOM 0 HB2 ASP A 422 26.556 -14.495 4.395 1.00 0.00 H new ATOM 0 HB3 ASP A 422 25.597 -13.202 3.703 1.00 0.00 H new ATOM 116 N GLU A 423 28.831 -11.906 1.568 1.00 0.00 N ATOM 117 CA GLU A 423 28.929 -11.110 0.360 1.00 0.00 C ATOM 118 C GLU A 423 30.018 -11.668 -0.546 1.00 0.00 C ATOM 119 O GLU A 423 31.020 -12.205 -0.069 1.00 0.00 O ATOM 120 CB GLU A 423 29.207 -9.639 0.705 1.00 0.00 C ATOM 121 CG GLU A 423 29.177 -8.711 -0.498 1.00 0.00 C ATOM 122 CD GLU A 423 27.894 -8.843 -1.290 1.00 0.00 C ATOM 123 OE1 GLU A 423 26.925 -8.126 -0.985 1.00 0.00 O ATOM 124 OE2 GLU A 423 27.849 -9.670 -2.220 1.00 0.00 O ATOM 0 H GLU A 423 29.715 -12.305 1.883 1.00 0.00 H new ATOM 0 HA GLU A 423 27.978 -11.158 -0.171 1.00 0.00 H new ATOM 0 HB2 GLU A 423 28.469 -9.300 1.432 1.00 0.00 H new ATOM 0 HB3 GLU A 423 30.183 -9.566 1.184 1.00 0.00 H new ATOM 0 HG2 GLU A 423 29.290 -7.680 -0.162 1.00 0.00 H new ATOM 0 HG3 GLU A 423 30.026 -8.931 -1.145 1.00 0.00 H new ATOM 131 N ALA A 424 29.821 -11.542 -1.845 1.00 0.00 N ATOM 132 CA ALA A 424 30.762 -12.056 -2.812 1.00 0.00 C ATOM 133 C ALA A 424 31.255 -10.954 -3.744 1.00 0.00 C ATOM 134 O ALA A 424 30.680 -10.715 -4.811 1.00 0.00 O ATOM 135 CB ALA A 424 30.140 -13.195 -3.606 1.00 0.00 C ATOM 0 H ALA A 424 29.007 -11.082 -2.254 1.00 0.00 H new ATOM 0 HA ALA A 424 31.625 -12.442 -2.270 1.00 0.00 H new ATOM 0 HB1 ALA A 424 30.863 -13.571 -4.330 1.00 0.00 H new ATOM 0 HB2 ALA A 424 29.855 -13.999 -2.927 1.00 0.00 H new ATOM 0 HB3 ALA A 424 29.256 -12.833 -4.130 1.00 0.00 H new ATOM 141 N SER A 425 32.295 -10.267 -3.323 1.00 0.00 N ATOM 142 CA SER A 425 32.890 -9.220 -4.121 1.00 0.00 C ATOM 143 C SER A 425 34.396 -9.181 -3.880 1.00 0.00 C ATOM 144 O SER A 425 34.856 -8.842 -2.784 1.00 0.00 O ATOM 145 CB SER A 425 32.255 -7.862 -3.793 1.00 0.00 C ATOM 146 OG SER A 425 32.697 -6.849 -4.690 1.00 0.00 O ATOM 0 H SER A 425 32.749 -10.418 -2.422 1.00 0.00 H new ATOM 0 HA SER A 425 32.706 -9.432 -5.174 1.00 0.00 H new ATOM 0 HB2 SER A 425 31.169 -7.945 -3.843 1.00 0.00 H new ATOM 0 HB3 SER A 425 32.506 -7.579 -2.771 1.00 0.00 H new ATOM 0 HG SER A 425 32.273 -5.997 -4.456 1.00 0.00 H new ATOM 152 N ASN A 426 35.154 -9.564 -4.885 1.00 0.00 N ATOM 153 CA ASN A 426 36.600 -9.574 -4.781 1.00 0.00 C ATOM 154 C ASN A 426 37.182 -8.330 -5.435 1.00 0.00 C ATOM 155 O ASN A 426 37.288 -8.250 -6.661 1.00 0.00 O ATOM 156 CB ASN A 426 37.178 -10.839 -5.436 1.00 0.00 C ATOM 157 CG ASN A 426 38.665 -11.038 -5.154 1.00 0.00 C ATOM 158 OD1 ASN A 426 39.410 -10.083 -4.939 1.00 0.00 O ATOM 159 ND2 ASN A 426 39.100 -12.281 -5.155 1.00 0.00 N ATOM 0 H ASN A 426 34.793 -9.874 -5.787 1.00 0.00 H new ATOM 0 HA ASN A 426 36.872 -9.576 -3.725 1.00 0.00 H new ATOM 0 HB2 ASN A 426 36.628 -11.709 -5.078 1.00 0.00 H new ATOM 0 HB3 ASN A 426 37.023 -10.785 -6.514 1.00 0.00 H new ATOM 0 HD21 ASN A 426 40.084 -12.477 -4.973 1.00 0.00 H new ATOM 0 HD22 ASN A 426 38.453 -13.048 -5.337 1.00 0.00 H new ATOM 166 N VAL A 427 37.539 -7.353 -4.620 1.00 0.00 N ATOM 167 CA VAL A 427 38.122 -6.129 -5.123 1.00 0.00 C ATOM 168 C VAL A 427 39.627 -6.300 -5.288 1.00 0.00 C ATOM 169 O VAL A 427 40.412 -5.919 -4.422 1.00 0.00 O ATOM 170 CB VAL A 427 37.826 -4.918 -4.199 1.00 0.00 C ATOM 171 CG1 VAL A 427 38.332 -3.620 -4.822 1.00 0.00 C ATOM 172 CG2 VAL A 427 36.337 -4.821 -3.900 1.00 0.00 C ATOM 0 H VAL A 427 37.434 -7.387 -3.606 1.00 0.00 H new ATOM 0 HA VAL A 427 37.665 -5.922 -6.091 1.00 0.00 H new ATOM 0 HB VAL A 427 38.357 -5.074 -3.260 1.00 0.00 H new ATOM 0 HG11 VAL A 427 38.112 -2.786 -4.155 1.00 0.00 H new ATOM 0 HG12 VAL A 427 39.409 -3.687 -4.977 1.00 0.00 H new ATOM 0 HG13 VAL A 427 37.837 -3.459 -5.779 1.00 0.00 H new ATOM 0 HG21 VAL A 427 36.151 -3.965 -3.251 1.00 0.00 H new ATOM 0 HG22 VAL A 427 35.786 -4.696 -4.832 1.00 0.00 H new ATOM 0 HG23 VAL A 427 36.006 -5.733 -3.403 1.00 0.00 H new ATOM 182 N THR A 428 40.011 -6.928 -6.376 1.00 0.00 N ATOM 183 CA THR A 428 41.408 -7.160 -6.670 1.00 0.00 C ATOM 184 C THR A 428 41.738 -6.647 -8.074 1.00 0.00 C ATOM 185 O THR A 428 42.881 -6.714 -8.530 1.00 0.00 O ATOM 186 CB THR A 428 41.752 -8.673 -6.558 1.00 0.00 C ATOM 187 OG1 THR A 428 43.167 -8.872 -6.616 1.00 0.00 O ATOM 188 CG2 THR A 428 41.082 -9.470 -7.672 1.00 0.00 C ATOM 0 H THR A 428 39.368 -7.291 -7.079 1.00 0.00 H new ATOM 0 HA THR A 428 42.009 -6.618 -5.940 1.00 0.00 H new ATOM 0 HB THR A 428 41.377 -9.027 -5.598 1.00 0.00 H new ATOM 0 HG1 THR A 428 43.568 -8.201 -7.208 1.00 0.00 H new ATOM 0 HG21 THR A 428 41.339 -10.524 -7.570 1.00 0.00 H new ATOM 0 HG22 THR A 428 40.001 -9.352 -7.604 1.00 0.00 H new ATOM 0 HG23 THR A 428 41.427 -9.104 -8.639 1.00 0.00 H new ATOM 196 N ILE A 429 40.728 -6.115 -8.741 1.00 0.00 N ATOM 197 CA ILE A 429 40.885 -5.608 -10.084 1.00 0.00 C ATOM 198 C ILE A 429 40.381 -4.169 -10.164 1.00 0.00 C ATOM 199 O ILE A 429 39.406 -3.805 -9.502 1.00 0.00 O ATOM 200 CB ILE A 429 40.135 -6.499 -11.121 1.00 0.00 C ATOM 201 CG1 ILE A 429 40.328 -5.959 -12.547 1.00 0.00 C ATOM 202 CG2 ILE A 429 38.650 -6.606 -10.775 1.00 0.00 C ATOM 203 CD1 ILE A 429 39.693 -6.817 -13.622 1.00 0.00 C ATOM 0 H ILE A 429 39.784 -6.025 -8.366 1.00 0.00 H new ATOM 0 HA ILE A 429 41.947 -5.631 -10.329 1.00 0.00 H new ATOM 0 HB ILE A 429 40.564 -7.500 -11.078 1.00 0.00 H new ATOM 0 HG12 ILE A 429 39.909 -4.954 -12.604 1.00 0.00 H new ATOM 0 HG13 ILE A 429 41.395 -5.871 -12.750 1.00 0.00 H new ATOM 0 HG21 ILE A 429 38.149 -7.232 -11.513 1.00 0.00 H new ATOM 0 HG22 ILE A 429 38.538 -7.050 -9.786 1.00 0.00 H new ATOM 0 HG23 ILE A 429 38.203 -5.612 -10.779 1.00 0.00 H new ATOM 0 HD11 ILE A 429 39.873 -6.369 -14.599 1.00 0.00 H new ATOM 0 HD12 ILE A 429 40.129 -7.816 -13.595 1.00 0.00 H new ATOM 0 HD13 ILE A 429 38.619 -6.885 -13.447 1.00 0.00 H new ATOM 215 N LYS A 430 41.065 -3.355 -10.940 1.00 0.00 N ATOM 216 CA LYS A 430 40.685 -1.971 -11.112 1.00 0.00 C ATOM 217 C LYS A 430 39.795 -1.813 -12.332 1.00 0.00 C ATOM 218 O LYS A 430 40.152 -2.244 -13.434 1.00 0.00 O ATOM 219 CB LYS A 430 41.935 -1.088 -11.219 1.00 0.00 C ATOM 220 CG LYS A 430 41.660 0.369 -11.576 1.00 0.00 C ATOM 221 CD LYS A 430 42.889 1.239 -11.351 1.00 0.00 C ATOM 222 CE LYS A 430 43.224 1.347 -9.869 1.00 0.00 C ATOM 223 NZ LYS A 430 44.422 2.181 -9.620 1.00 0.00 N ATOM 0 H LYS A 430 41.894 -3.632 -11.465 1.00 0.00 H new ATOM 0 HA LYS A 430 40.116 -1.650 -10.239 1.00 0.00 H new ATOM 0 HB2 LYS A 430 42.468 -1.120 -10.269 1.00 0.00 H new ATOM 0 HB3 LYS A 430 42.599 -1.513 -11.972 1.00 0.00 H new ATOM 0 HG2 LYS A 430 41.350 0.437 -12.619 1.00 0.00 H new ATOM 0 HG3 LYS A 430 40.833 0.743 -10.973 1.00 0.00 H new ATOM 0 HD2 LYS A 430 43.739 0.819 -11.889 1.00 0.00 H new ATOM 0 HD3 LYS A 430 42.713 2.234 -11.760 1.00 0.00 H new ATOM 0 HE2 LYS A 430 42.372 1.771 -9.337 1.00 0.00 H new ATOM 0 HE3 LYS A 430 43.389 0.349 -9.463 1.00 0.00 H new ATOM 0 HZ1 LYS A 430 44.609 2.224 -8.598 1.00 0.00 H new ATOM 0 HZ2 LYS A 430 45.242 1.764 -10.105 1.00 0.00 H new ATOM 0 HZ3 LYS A 430 44.258 3.142 -9.982 1.00 0.00 H new ATOM 237 N VAL A 431 38.628 -1.211 -12.131 1.00 0.00 N ATOM 238 CA VAL A 431 37.681 -0.993 -13.217 1.00 0.00 C ATOM 239 C VAL A 431 38.143 0.154 -14.112 1.00 0.00 C ATOM 240 O VAL A 431 39.265 0.654 -13.968 1.00 0.00 O ATOM 241 CB VAL A 431 36.252 -0.707 -12.684 1.00 0.00 C ATOM 242 CG1 VAL A 431 35.750 -1.870 -11.845 1.00 0.00 C ATOM 243 CG2 VAL A 431 36.208 0.592 -11.886 1.00 0.00 C ATOM 0 H VAL A 431 38.315 -0.865 -11.224 1.00 0.00 H new ATOM 0 HA VAL A 431 37.644 -1.911 -13.804 1.00 0.00 H new ATOM 0 HB VAL A 431 35.592 -0.592 -13.544 1.00 0.00 H new ATOM 0 HG11 VAL A 431 34.747 -1.650 -11.481 1.00 0.00 H new ATOM 0 HG12 VAL A 431 35.725 -2.774 -12.454 1.00 0.00 H new ATOM 0 HG13 VAL A 431 36.418 -2.022 -10.997 1.00 0.00 H new ATOM 0 HG21 VAL A 431 35.193 0.764 -11.526 1.00 0.00 H new ATOM 0 HG22 VAL A 431 36.887 0.520 -11.036 1.00 0.00 H new ATOM 0 HG23 VAL A 431 36.512 1.422 -12.524 1.00 0.00 H new ATOM 253 N SER A 432 37.297 0.578 -15.016 1.00 0.00 N ATOM 254 CA SER A 432 37.655 1.632 -15.932 1.00 0.00 C ATOM 255 C SER A 432 37.573 3.018 -15.278 1.00 0.00 C ATOM 256 O SER A 432 38.596 3.685 -15.086 1.00 0.00 O ATOM 257 CB SER A 432 36.787 1.561 -17.185 1.00 0.00 C ATOM 258 OG SER A 432 36.930 0.295 -17.814 1.00 0.00 O ATOM 0 H SER A 432 36.354 0.209 -15.138 1.00 0.00 H new ATOM 0 HA SER A 432 38.696 1.482 -16.219 1.00 0.00 H new ATOM 0 HB2 SER A 432 35.742 1.728 -16.922 1.00 0.00 H new ATOM 0 HB3 SER A 432 37.071 2.353 -17.878 1.00 0.00 H new ATOM 0 HG SER A 432 36.367 0.262 -18.615 1.00 0.00 H new ATOM 264 N THR A 433 36.389 3.419 -14.883 1.00 0.00 N ATOM 265 CA THR A 433 36.195 4.751 -14.355 1.00 0.00 C ATOM 266 C THR A 433 36.501 4.838 -12.862 1.00 0.00 C ATOM 267 O THR A 433 36.124 3.964 -12.078 1.00 0.00 O ATOM 268 CB THR A 433 34.764 5.244 -14.620 1.00 0.00 C ATOM 269 OG1 THR A 433 33.822 4.209 -14.301 1.00 0.00 O ATOM 270 CG2 THR A 433 34.601 5.660 -16.072 1.00 0.00 C ATOM 0 H THR A 433 35.546 2.845 -14.916 1.00 0.00 H new ATOM 0 HA THR A 433 36.902 5.395 -14.877 1.00 0.00 H new ATOM 0 HB THR A 433 34.575 6.111 -13.987 1.00 0.00 H new ATOM 0 HG1 THR A 433 32.912 4.531 -14.471 1.00 0.00 H new ATOM 0 HG21 THR A 433 33.581 6.006 -16.239 1.00 0.00 H new ATOM 0 HG22 THR A 433 35.299 6.465 -16.300 1.00 0.00 H new ATOM 0 HG23 THR A 433 34.806 4.808 -16.720 1.00 0.00 H new ATOM 278 N LYS A 434 37.214 5.886 -12.488 1.00 0.00 N ATOM 279 CA LYS A 434 37.538 6.149 -11.090 1.00 0.00 C ATOM 280 C LYS A 434 36.688 7.304 -10.589 1.00 0.00 C ATOM 281 O LYS A 434 36.379 8.208 -11.349 1.00 0.00 O ATOM 282 CB LYS A 434 39.020 6.518 -10.932 1.00 0.00 C ATOM 283 CG LYS A 434 40.008 5.452 -11.380 1.00 0.00 C ATOM 284 CD LYS A 434 39.882 4.173 -10.575 1.00 0.00 C ATOM 285 CE LYS A 434 39.187 3.092 -11.376 1.00 0.00 C ATOM 286 NZ LYS A 434 39.873 2.853 -12.670 1.00 0.00 N ATOM 0 H LYS A 434 37.585 6.578 -13.139 1.00 0.00 H new ATOM 0 HA LYS A 434 37.336 5.247 -10.512 1.00 0.00 H new ATOM 0 HB2 LYS A 434 39.213 7.429 -11.498 1.00 0.00 H new ATOM 0 HB3 LYS A 434 39.210 6.748 -9.884 1.00 0.00 H new ATOM 0 HG2 LYS A 434 39.847 5.231 -12.435 1.00 0.00 H new ATOM 0 HG3 LYS A 434 41.023 5.839 -11.287 1.00 0.00 H new ATOM 0 HD2 LYS A 434 40.872 3.829 -10.276 1.00 0.00 H new ATOM 0 HD3 LYS A 434 39.323 4.369 -9.660 1.00 0.00 H new ATOM 0 HE2 LYS A 434 39.163 2.168 -10.799 1.00 0.00 H new ATOM 0 HE3 LYS A 434 38.152 3.381 -11.559 1.00 0.00 H new ATOM 0 HZ1 LYS A 434 39.759 1.856 -12.945 1.00 0.00 H new ATOM 0 HZ2 LYS A 434 39.457 3.464 -13.402 1.00 0.00 H new ATOM 0 HZ3 LYS A 434 40.885 3.071 -12.572 1.00 0.00 H new ATOM 300 N PRO A 435 36.281 7.285 -9.323 1.00 0.00 N ATOM 301 CA PRO A 435 35.498 8.378 -8.749 1.00 0.00 C ATOM 302 C PRO A 435 36.345 9.641 -8.540 1.00 0.00 C ATOM 303 O PRO A 435 37.421 9.586 -7.931 1.00 0.00 O ATOM 304 CB PRO A 435 35.026 7.814 -7.405 1.00 0.00 C ATOM 305 CG PRO A 435 36.038 6.777 -7.054 1.00 0.00 C ATOM 306 CD PRO A 435 36.532 6.205 -8.352 1.00 0.00 C ATOM 0 HA PRO A 435 34.680 8.686 -9.401 1.00 0.00 H new ATOM 0 HB2 PRO A 435 34.977 8.593 -6.644 1.00 0.00 H new ATOM 0 HB3 PRO A 435 34.028 7.383 -7.485 1.00 0.00 H new ATOM 0 HG2 PRO A 435 36.859 7.213 -6.485 1.00 0.00 H new ATOM 0 HG3 PRO A 435 35.596 5.999 -6.431 1.00 0.00 H new ATOM 0 HD2 PRO A 435 37.590 5.950 -8.301 1.00 0.00 H new ATOM 0 HD3 PRO A 435 35.997 5.294 -8.618 1.00 0.00 H new ATOM 314 N CYS A 436 35.857 10.767 -9.064 1.00 0.00 N ATOM 315 CA CYS A 436 36.527 12.059 -8.923 1.00 0.00 C ATOM 316 C CYS A 436 36.744 12.384 -7.449 1.00 0.00 C ATOM 317 O CYS A 436 35.924 12.028 -6.603 1.00 0.00 O ATOM 318 CB CYS A 436 35.678 13.148 -9.613 1.00 0.00 C ATOM 319 SG CYS A 436 36.170 14.895 -9.292 1.00 0.00 S ATOM 0 H CYS A 436 34.988 10.808 -9.597 1.00 0.00 H new ATOM 0 HA CYS A 436 37.506 12.019 -9.401 1.00 0.00 H new ATOM 0 HB2 CYS A 436 35.710 12.976 -10.689 1.00 0.00 H new ATOM 0 HB3 CYS A 436 34.641 13.022 -9.301 1.00 0.00 H new ATOM 324 N PRO A 437 37.856 13.043 -7.120 1.00 0.00 N ATOM 325 CA PRO A 437 38.169 13.415 -5.741 1.00 0.00 C ATOM 326 C PRO A 437 37.169 14.421 -5.163 1.00 0.00 C ATOM 327 O PRO A 437 37.173 14.683 -3.962 1.00 0.00 O ATOM 328 CB PRO A 437 39.562 14.052 -5.845 1.00 0.00 C ATOM 329 CG PRO A 437 39.691 14.467 -7.269 1.00 0.00 C ATOM 330 CD PRO A 437 38.909 13.465 -8.060 1.00 0.00 C ATOM 0 HA PRO A 437 38.126 12.554 -5.074 1.00 0.00 H new ATOM 0 HB2 PRO A 437 39.656 14.906 -5.175 1.00 0.00 H new ATOM 0 HB3 PRO A 437 40.342 13.343 -5.568 1.00 0.00 H new ATOM 0 HG2 PRO A 437 39.301 15.474 -7.419 1.00 0.00 H new ATOM 0 HG3 PRO A 437 40.736 14.480 -7.579 1.00 0.00 H new ATOM 0 HD2 PRO A 437 38.489 13.905 -8.964 1.00 0.00 H new ATOM 0 HD3 PRO A 437 39.530 12.625 -8.373 1.00 0.00 H new ATOM 338 N LYS A 438 36.320 14.984 -6.016 1.00 0.00 N ATOM 339 CA LYS A 438 35.340 15.967 -5.567 1.00 0.00 C ATOM 340 C LYS A 438 33.908 15.476 -5.751 1.00 0.00 C ATOM 341 O LYS A 438 33.207 15.209 -4.770 1.00 0.00 O ATOM 342 CB LYS A 438 35.534 17.323 -6.269 1.00 0.00 C ATOM 343 CG LYS A 438 36.657 18.182 -5.683 1.00 0.00 C ATOM 344 CD LYS A 438 38.034 17.619 -5.997 1.00 0.00 C ATOM 345 CE LYS A 438 39.114 18.255 -5.134 1.00 0.00 C ATOM 346 NZ LYS A 438 39.214 19.726 -5.330 1.00 0.00 N ATOM 0 H LYS A 438 36.290 14.779 -7.015 1.00 0.00 H new ATOM 0 HA LYS A 438 35.510 16.106 -4.499 1.00 0.00 H new ATOM 0 HB2 LYS A 438 35.741 17.146 -7.324 1.00 0.00 H new ATOM 0 HB3 LYS A 438 34.600 17.882 -6.217 1.00 0.00 H new ATOM 0 HG2 LYS A 438 36.582 19.195 -6.079 1.00 0.00 H new ATOM 0 HG3 LYS A 438 36.533 18.252 -4.602 1.00 0.00 H new ATOM 0 HD2 LYS A 438 38.031 16.541 -5.839 1.00 0.00 H new ATOM 0 HD3 LYS A 438 38.264 17.786 -7.049 1.00 0.00 H new ATOM 0 HE2 LYS A 438 38.905 18.046 -4.085 1.00 0.00 H new ATOM 0 HE3 LYS A 438 40.075 17.796 -5.365 1.00 0.00 H new ATOM 0 HZ1 LYS A 438 40.093 20.075 -4.897 1.00 0.00 H new ATOM 0 HZ2 LYS A 438 39.220 19.941 -6.348 1.00 0.00 H new ATOM 0 HZ3 LYS A 438 38.399 20.192 -4.883 1.00 0.00 H new ATOM 360 N CYS A 439 33.473 15.350 -6.999 1.00 0.00 N ATOM 361 CA CYS A 439 32.103 14.931 -7.290 1.00 0.00 C ATOM 362 C CYS A 439 31.947 13.432 -7.140 1.00 0.00 C ATOM 363 O CYS A 439 30.849 12.936 -6.879 1.00 0.00 O ATOM 364 CB CYS A 439 31.714 15.349 -8.699 1.00 0.00 C ATOM 365 SG CYS A 439 32.764 14.634 -9.992 1.00 0.00 S ATOM 0 H CYS A 439 34.045 15.531 -7.824 1.00 0.00 H new ATOM 0 HA CYS A 439 31.443 15.419 -6.573 1.00 0.00 H new ATOM 0 HB2 CYS A 439 30.680 15.057 -8.882 1.00 0.00 H new ATOM 0 HB3 CYS A 439 31.756 16.436 -8.770 1.00 0.00 H new ATOM 370 N ARG A 440 33.055 12.719 -7.318 1.00 0.00 N ATOM 371 CA ARG A 440 33.089 11.265 -7.213 1.00 0.00 C ATOM 372 C ARG A 440 32.374 10.587 -8.376 1.00 0.00 C ATOM 373 O ARG A 440 32.017 9.412 -8.293 1.00 0.00 O ATOM 374 CB ARG A 440 32.540 10.801 -5.871 1.00 0.00 C ATOM 375 CG ARG A 440 33.538 10.965 -4.753 1.00 0.00 C ATOM 376 CD ARG A 440 32.896 10.794 -3.405 1.00 0.00 C ATOM 377 NE ARG A 440 31.988 11.902 -3.089 1.00 0.00 N ATOM 378 CZ ARG A 440 31.468 12.132 -1.878 1.00 0.00 C ATOM 379 NH1 ARG A 440 31.738 11.319 -0.866 1.00 0.00 N ATOM 380 NH2 ARG A 440 30.676 13.178 -1.690 1.00 0.00 N ATOM 0 H ARG A 440 33.959 13.136 -7.540 1.00 0.00 H new ATOM 0 HA ARG A 440 34.134 10.962 -7.270 1.00 0.00 H new ATOM 0 HB2 ARG A 440 31.639 11.367 -5.635 1.00 0.00 H new ATOM 0 HB3 ARG A 440 32.249 9.753 -5.943 1.00 0.00 H new ATOM 0 HG2 ARG A 440 34.339 10.235 -4.870 1.00 0.00 H new ATOM 0 HG3 ARG A 440 33.995 11.952 -4.816 1.00 0.00 H new ATOM 0 HD2 ARG A 440 32.344 9.854 -3.382 1.00 0.00 H new ATOM 0 HD3 ARG A 440 33.669 10.729 -2.640 1.00 0.00 H new ATOM 0 HE ARG A 440 31.736 12.540 -3.844 1.00 0.00 H new ATOM 0 HH11 ARG A 440 32.346 10.512 -1.008 1.00 0.00 H new ATOM 0 HH12 ARG A 440 31.338 11.500 0.055 1.00 0.00 H new ATOM 0 HH21 ARG A 440 30.465 13.804 -2.467 1.00 0.00 H new ATOM 0 HH22 ARG A 440 30.278 13.357 -0.768 1.00 0.00 H new ATOM 394 N THR A 441 32.190 11.320 -9.469 1.00 0.00 N ATOM 395 CA THR A 441 31.568 10.759 -10.660 1.00 0.00 C ATOM 396 C THR A 441 32.545 9.819 -11.365 1.00 0.00 C ATOM 397 O THR A 441 33.758 9.878 -11.113 1.00 0.00 O ATOM 398 CB THR A 441 31.106 11.862 -11.644 1.00 0.00 C ATOM 399 OG1 THR A 441 32.196 12.720 -11.984 1.00 0.00 O ATOM 400 CG2 THR A 441 29.978 12.673 -11.042 1.00 0.00 C ATOM 0 H THR A 441 32.462 12.299 -9.554 1.00 0.00 H new ATOM 0 HA THR A 441 30.686 10.205 -10.340 1.00 0.00 H new ATOM 0 HB THR A 441 30.745 11.378 -12.551 1.00 0.00 H new ATOM 0 HG1 THR A 441 32.481 13.218 -11.189 1.00 0.00 H new ATOM 0 HG21 THR A 441 29.667 13.443 -11.748 1.00 0.00 H new ATOM 0 HG22 THR A 441 29.135 12.018 -10.824 1.00 0.00 H new ATOM 0 HG23 THR A 441 30.320 13.143 -10.120 1.00 0.00 H new ATOM 408 N PRO A 442 32.039 8.928 -12.237 1.00 0.00 N ATOM 409 CA PRO A 442 32.886 7.986 -12.962 1.00 0.00 C ATOM 410 C PRO A 442 33.811 8.685 -13.962 1.00 0.00 C ATOM 411 O PRO A 442 33.430 8.950 -15.102 1.00 0.00 O ATOM 412 CB PRO A 442 31.886 7.073 -13.688 1.00 0.00 C ATOM 413 CG PRO A 442 30.633 7.875 -13.784 1.00 0.00 C ATOM 414 CD PRO A 442 30.608 8.763 -12.573 1.00 0.00 C ATOM 0 HA PRO A 442 33.554 7.445 -12.292 1.00 0.00 H new ATOM 0 HB2 PRO A 442 32.252 6.793 -14.676 1.00 0.00 H new ATOM 0 HB3 PRO A 442 31.722 6.148 -13.135 1.00 0.00 H new ATOM 0 HG2 PRO A 442 30.619 8.466 -14.700 1.00 0.00 H new ATOM 0 HG3 PRO A 442 29.757 7.227 -13.809 1.00 0.00 H new ATOM 0 HD2 PRO A 442 30.133 9.720 -12.787 1.00 0.00 H new ATOM 0 HD3 PRO A 442 30.053 8.308 -11.753 1.00 0.00 H new ATOM 422 N THR A 443 35.014 8.992 -13.516 1.00 0.00 N ATOM 423 CA THR A 443 36.005 9.648 -14.340 1.00 0.00 C ATOM 424 C THR A 443 36.660 8.640 -15.274 1.00 0.00 C ATOM 425 O THR A 443 37.191 7.614 -14.826 1.00 0.00 O ATOM 426 CB THR A 443 37.084 10.323 -13.466 1.00 0.00 C ATOM 427 OG1 THR A 443 36.466 11.264 -12.582 1.00 0.00 O ATOM 428 CG2 THR A 443 38.123 11.038 -14.325 1.00 0.00 C ATOM 0 H THR A 443 35.331 8.792 -12.567 1.00 0.00 H new ATOM 0 HA THR A 443 35.503 10.415 -14.930 1.00 0.00 H new ATOM 0 HB THR A 443 37.590 9.548 -12.890 1.00 0.00 H new ATOM 0 HG1 THR A 443 37.152 11.690 -12.027 1.00 0.00 H new ATOM 0 HG21 THR A 443 38.869 11.503 -13.681 1.00 0.00 H new ATOM 0 HG22 THR A 443 38.610 10.318 -14.983 1.00 0.00 H new ATOM 0 HG23 THR A 443 37.633 11.804 -14.926 1.00 0.00 H new ATOM 436 N GLU A 444 36.601 8.924 -16.567 1.00 0.00 N ATOM 437 CA GLU A 444 37.165 8.046 -17.573 1.00 0.00 C ATOM 438 C GLU A 444 38.674 7.944 -17.430 1.00 0.00 C ATOM 439 O GLU A 444 39.331 8.875 -16.959 1.00 0.00 O ATOM 440 CB GLU A 444 36.792 8.529 -18.972 1.00 0.00 C ATOM 441 CG GLU A 444 35.296 8.686 -19.172 1.00 0.00 C ATOM 442 CD GLU A 444 34.920 8.861 -20.619 1.00 0.00 C ATOM 443 OE1 GLU A 444 35.042 9.984 -21.146 1.00 0.00 O ATOM 444 OE2 GLU A 444 34.491 7.867 -21.241 1.00 0.00 O ATOM 0 H GLU A 444 36.163 9.765 -16.943 1.00 0.00 H new ATOM 0 HA GLU A 444 36.746 7.051 -17.424 1.00 0.00 H new ATOM 0 HB2 GLU A 444 37.279 9.485 -19.161 1.00 0.00 H new ATOM 0 HB3 GLU A 444 37.178 7.824 -19.708 1.00 0.00 H new ATOM 0 HG2 GLU A 444 34.786 7.810 -18.771 1.00 0.00 H new ATOM 0 HG3 GLU A 444 34.946 9.547 -18.603 1.00 0.00 H new ATOM 451 N ARG A 445 39.212 6.816 -17.829 1.00 0.00 N ATOM 452 CA ARG A 445 40.631 6.574 -17.717 1.00 0.00 C ATOM 453 C ARG A 445 41.316 6.694 -19.062 1.00 0.00 C ATOM 454 O ARG A 445 40.767 6.295 -20.088 1.00 0.00 O ATOM 455 CB ARG A 445 40.907 5.198 -17.100 1.00 0.00 C ATOM 456 CG ARG A 445 40.176 4.046 -17.767 1.00 0.00 C ATOM 457 CD ARG A 445 40.679 2.699 -17.258 1.00 0.00 C ATOM 458 NE ARG A 445 42.090 2.485 -17.574 1.00 0.00 N ATOM 459 CZ ARG A 445 42.814 1.444 -17.155 1.00 0.00 C ATOM 460 NH1 ARG A 445 42.242 0.468 -16.453 1.00 0.00 N ATOM 461 NH2 ARG A 445 44.101 1.369 -17.456 1.00 0.00 N ATOM 0 H ARG A 445 38.683 6.045 -18.237 1.00 0.00 H new ATOM 0 HA ARG A 445 41.042 7.337 -17.056 1.00 0.00 H new ATOM 0 HB2 ARG A 445 41.979 5.004 -17.143 1.00 0.00 H new ATOM 0 HB3 ARG A 445 40.630 5.225 -16.046 1.00 0.00 H new ATOM 0 HG2 ARG A 445 39.106 4.132 -17.576 1.00 0.00 H new ATOM 0 HG3 ARG A 445 40.313 4.103 -18.847 1.00 0.00 H new ATOM 0 HD2 ARG A 445 40.537 2.644 -16.179 1.00 0.00 H new ATOM 0 HD3 ARG A 445 40.084 1.900 -17.699 1.00 0.00 H new ATOM 0 HE ARG A 445 42.555 3.181 -18.157 1.00 0.00 H new ATOM 0 HH11 ARG A 445 41.247 0.514 -16.233 1.00 0.00 H new ATOM 0 HH12 ARG A 445 42.799 -0.325 -16.135 1.00 0.00 H new ATOM 0 HH21 ARG A 445 44.539 2.106 -18.008 1.00 0.00 H new ATOM 0 HH22 ARG A 445 44.654 0.574 -17.136 1.00 0.00 H new ATOM 475 N ASP A 446 42.505 7.247 -19.052 1.00 0.00 N ATOM 476 CA ASP A 446 43.284 7.415 -20.260 1.00 0.00 C ATOM 477 C ASP A 446 44.748 7.174 -19.963 1.00 0.00 C ATOM 478 O ASP A 446 45.293 7.729 -19.004 1.00 0.00 O ATOM 479 CB ASP A 446 43.082 8.819 -20.841 1.00 0.00 C ATOM 480 CG ASP A 446 43.883 9.048 -22.106 1.00 0.00 C ATOM 481 OD1 ASP A 446 43.700 8.286 -23.078 1.00 0.00 O ATOM 482 OD2 ASP A 446 44.685 10.007 -22.143 1.00 0.00 O ATOM 0 H ASP A 446 42.961 7.594 -18.208 1.00 0.00 H new ATOM 0 HA ASP A 446 42.947 6.689 -20.999 1.00 0.00 H new ATOM 0 HB2 ASP A 446 42.024 8.971 -21.053 1.00 0.00 H new ATOM 0 HB3 ASP A 446 43.368 9.561 -20.095 1.00 0.00 H new ATOM 487 N GLY A 447 45.383 6.344 -20.770 1.00 0.00 N ATOM 488 CA GLY A 447 46.786 6.033 -20.567 1.00 0.00 C ATOM 489 C GLY A 447 47.695 7.098 -21.139 1.00 0.00 C ATOM 490 O GLY A 447 48.555 6.811 -21.975 1.00 0.00 O ATOM 0 H GLY A 447 44.953 5.876 -21.567 1.00 0.00 H new ATOM 0 HA2 GLY A 447 46.982 5.925 -19.500 1.00 0.00 H new ATOM 0 HA3 GLY A 447 47.015 5.074 -21.032 1.00 0.00 H new ATOM 494 N GLY A 448 47.499 8.327 -20.696 1.00 0.00 N ATOM 495 CA GLY A 448 48.293 9.428 -21.171 1.00 0.00 C ATOM 496 C GLY A 448 49.057 10.098 -20.060 1.00 0.00 C ATOM 497 O GLY A 448 48.493 10.908 -19.314 1.00 0.00 O ATOM 0 H GLY A 448 46.792 8.580 -20.006 1.00 0.00 H new ATOM 0 HA2 GLY A 448 48.992 9.070 -21.927 1.00 0.00 H new ATOM 0 HA3 GLY A 448 47.645 10.158 -21.656 1.00 0.00 H new ATOM 501 N CYS A 449 50.337 9.740 -19.932 1.00 0.00 N ATOM 502 CA CYS A 449 51.233 10.297 -18.920 1.00 0.00 C ATOM 503 C CYS A 449 50.789 9.930 -17.504 1.00 0.00 C ATOM 504 O CYS A 449 51.332 10.434 -16.532 1.00 0.00 O ATOM 505 CB CYS A 449 51.316 11.809 -19.060 1.00 0.00 C ATOM 506 SG CYS A 449 51.649 12.378 -20.742 1.00 0.00 S ATOM 0 H CYS A 449 50.783 9.049 -20.535 1.00 0.00 H new ATOM 0 HA CYS A 449 52.219 9.863 -19.085 1.00 0.00 H new ATOM 0 HB2 CYS A 449 50.378 12.247 -18.719 1.00 0.00 H new ATOM 0 HB3 CYS A 449 52.100 12.182 -18.400 1.00 0.00 H new ATOM 0 HG CYS A 449 51.699 13.677 -20.759 1.00 0.00 H new ATOM 512 N MET A 450 49.820 9.026 -17.402 1.00 0.00 N ATOM 513 CA MET A 450 49.267 8.613 -16.118 1.00 0.00 C ATOM 514 C MET A 450 48.584 9.808 -15.420 1.00 0.00 C ATOM 515 O MET A 450 48.577 9.927 -14.192 1.00 0.00 O ATOM 516 CB MET A 450 50.365 7.968 -15.238 1.00 0.00 C ATOM 517 CG MET A 450 49.848 7.268 -13.993 1.00 0.00 C ATOM 518 SD MET A 450 51.033 6.111 -13.292 1.00 0.00 S ATOM 519 CE MET A 450 52.295 7.231 -12.713 1.00 0.00 C ATOM 0 H MET A 450 49.397 8.560 -18.205 1.00 0.00 H new ATOM 0 HA MET A 450 48.502 7.854 -16.284 1.00 0.00 H new ATOM 0 HB2 MET A 450 50.918 7.248 -15.840 1.00 0.00 H new ATOM 0 HB3 MET A 450 51.072 8.741 -14.937 1.00 0.00 H new ATOM 0 HG2 MET A 450 49.592 8.016 -13.243 1.00 0.00 H new ATOM 0 HG3 MET A 450 48.930 6.735 -14.238 1.00 0.00 H new ATOM 0 HE1 MET A 450 53.049 6.673 -12.158 1.00 0.00 H new ATOM 0 HE2 MET A 450 52.762 7.725 -13.565 1.00 0.00 H new ATOM 0 HE3 MET A 450 51.845 7.980 -12.061 1.00 0.00 H new ATOM 529 N HIS A 451 48.011 10.689 -16.232 1.00 0.00 N ATOM 530 CA HIS A 451 47.268 11.836 -15.741 1.00 0.00 C ATOM 531 C HIS A 451 45.775 11.624 -16.013 1.00 0.00 C ATOM 532 O HIS A 451 45.399 11.152 -17.085 1.00 0.00 O ATOM 533 CB HIS A 451 47.771 13.113 -16.426 1.00 0.00 C ATOM 534 CG HIS A 451 47.191 14.377 -15.871 1.00 0.00 C ATOM 535 ND1 HIS A 451 47.898 15.175 -15.010 1.00 0.00 N ATOM 536 CD2 HIS A 451 45.989 14.932 -16.101 1.00 0.00 C ATOM 537 CE1 HIS A 451 47.106 16.197 -14.743 1.00 0.00 C ATOM 538 NE2 HIS A 451 45.940 16.095 -15.386 1.00 0.00 N ATOM 0 H HIS A 451 48.050 10.625 -17.249 1.00 0.00 H new ATOM 0 HA HIS A 451 47.418 11.943 -14.667 1.00 0.00 H new ATOM 0 HB2 HIS A 451 48.857 13.155 -16.338 1.00 0.00 H new ATOM 0 HB3 HIS A 451 47.539 13.057 -17.490 1.00 0.00 H new ATOM 0 HD1 HIS A 451 48.839 15.013 -14.651 1.00 0.00 H new ATOM 0 HD2 HIS A 451 45.209 14.534 -16.732 1.00 0.00 H new ATOM 0 HE1 HIS A 451 47.368 17.014 -14.087 1.00 0.00 H new ATOM 546 N MET A 452 44.937 11.950 -15.038 1.00 0.00 N ATOM 547 CA MET A 452 43.496 11.765 -15.179 1.00 0.00 C ATOM 548 C MET A 452 42.757 13.099 -15.156 1.00 0.00 C ATOM 549 O MET A 452 43.133 14.021 -14.430 1.00 0.00 O ATOM 550 CB MET A 452 42.961 10.846 -14.085 1.00 0.00 C ATOM 551 CG MET A 452 42.388 9.558 -14.606 1.00 0.00 C ATOM 552 SD MET A 452 41.792 8.503 -13.286 1.00 0.00 S ATOM 553 CE MET A 452 41.182 7.151 -14.242 1.00 0.00 C ATOM 0 H MET A 452 45.228 12.343 -14.143 1.00 0.00 H new ATOM 0 HA MET A 452 43.318 11.298 -16.148 1.00 0.00 H new ATOM 0 HB2 MET A 452 43.767 10.619 -13.387 1.00 0.00 H new ATOM 0 HB3 MET A 452 42.191 11.375 -13.523 1.00 0.00 H new ATOM 0 HG2 MET A 452 41.570 9.777 -15.292 1.00 0.00 H new ATOM 0 HG3 MET A 452 43.150 9.028 -15.177 1.00 0.00 H new ATOM 0 HE1 MET A 452 41.366 6.217 -13.710 1.00 0.00 H new ATOM 0 HE2 MET A 452 40.111 7.273 -14.402 1.00 0.00 H new ATOM 0 HE3 MET A 452 41.692 7.127 -15.205 1.00 0.00 H new ATOM 563 N VAL A 453 41.704 13.193 -15.953 1.00 0.00 N ATOM 564 CA VAL A 453 40.931 14.424 -16.065 1.00 0.00 C ATOM 565 C VAL A 453 39.449 14.163 -15.843 1.00 0.00 C ATOM 566 O VAL A 453 38.858 13.305 -16.506 1.00 0.00 O ATOM 567 CB VAL A 453 41.098 15.060 -17.464 1.00 0.00 C ATOM 568 CG1 VAL A 453 40.374 16.399 -17.545 1.00 0.00 C ATOM 569 CG2 VAL A 453 42.568 15.215 -17.819 1.00 0.00 C ATOM 0 H VAL A 453 41.362 12.428 -16.535 1.00 0.00 H new ATOM 0 HA VAL A 453 41.308 15.102 -15.300 1.00 0.00 H new ATOM 0 HB VAL A 453 40.645 14.389 -18.194 1.00 0.00 H new ATOM 0 HG11 VAL A 453 40.507 16.825 -18.539 1.00 0.00 H new ATOM 0 HG12 VAL A 453 39.311 16.250 -17.353 1.00 0.00 H new ATOM 0 HG13 VAL A 453 40.785 17.080 -16.800 1.00 0.00 H new ATOM 0 HG21 VAL A 453 42.658 15.665 -18.808 1.00 0.00 H new ATOM 0 HG22 VAL A 453 43.054 15.856 -17.083 1.00 0.00 H new ATOM 0 HG23 VAL A 453 43.047 14.236 -17.821 1.00 0.00 H new ATOM 579 N CYS A 454 38.853 14.900 -14.915 1.00 0.00 N ATOM 580 CA CYS A 454 37.430 14.804 -14.676 1.00 0.00 C ATOM 581 C CYS A 454 36.699 15.477 -15.822 1.00 0.00 C ATOM 582 O CYS A 454 36.688 16.707 -15.935 1.00 0.00 O ATOM 583 CB CYS A 454 37.052 15.457 -13.338 1.00 0.00 C ATOM 584 SG CYS A 454 35.300 15.254 -12.863 1.00 0.00 S ATOM 0 H CYS A 454 39.338 15.570 -14.318 1.00 0.00 H new ATOM 0 HA CYS A 454 37.143 13.754 -14.620 1.00 0.00 H new ATOM 0 HB2 CYS A 454 37.679 15.035 -12.553 1.00 0.00 H new ATOM 0 HB3 CYS A 454 37.280 16.522 -13.391 1.00 0.00 H new ATOM 589 N THR A 455 36.121 14.673 -16.675 1.00 0.00 N ATOM 590 CA THR A 455 35.424 15.160 -17.843 1.00 0.00 C ATOM 591 C THR A 455 33.970 15.523 -17.514 1.00 0.00 C ATOM 592 O THR A 455 33.140 15.724 -18.406 1.00 0.00 O ATOM 593 CB THR A 455 35.494 14.118 -18.995 1.00 0.00 C ATOM 594 OG1 THR A 455 34.676 14.511 -20.105 1.00 0.00 O ATOM 595 CG2 THR A 455 35.086 12.744 -18.505 1.00 0.00 C ATOM 0 H THR A 455 36.119 13.657 -16.582 1.00 0.00 H new ATOM 0 HA THR A 455 35.921 16.071 -18.176 1.00 0.00 H new ATOM 0 HB THR A 455 36.529 14.075 -19.334 1.00 0.00 H new ATOM 0 HG1 THR A 455 34.102 15.259 -19.839 1.00 0.00 H new ATOM 0 HG21 THR A 455 35.143 12.032 -19.329 1.00 0.00 H new ATOM 0 HG22 THR A 455 35.757 12.429 -17.706 1.00 0.00 H new ATOM 0 HG23 THR A 455 34.064 12.781 -18.127 1.00 0.00 H new ATOM 603 N ARG A 456 33.676 15.626 -16.230 1.00 0.00 N ATOM 604 CA ARG A 456 32.349 15.993 -15.783 1.00 0.00 C ATOM 605 C ARG A 456 32.101 17.472 -16.042 1.00 0.00 C ATOM 606 O ARG A 456 32.975 18.310 -15.788 1.00 0.00 O ATOM 607 CB ARG A 456 32.196 15.707 -14.294 1.00 0.00 C ATOM 608 CG ARG A 456 30.829 16.059 -13.740 1.00 0.00 C ATOM 609 CD ARG A 456 30.853 16.096 -12.232 1.00 0.00 C ATOM 610 NE ARG A 456 29.546 16.424 -11.665 1.00 0.00 N ATOM 611 CZ ARG A 456 29.341 17.357 -10.735 1.00 0.00 C ATOM 612 NH1 ARG A 456 30.358 18.087 -10.279 1.00 0.00 N ATOM 613 NH2 ARG A 456 28.116 17.560 -10.261 1.00 0.00 N ATOM 0 H ARG A 456 34.344 15.459 -15.477 1.00 0.00 H new ATOM 0 HA ARG A 456 31.621 15.402 -16.338 1.00 0.00 H new ATOM 0 HB2 ARG A 456 32.389 14.649 -14.115 1.00 0.00 H new ATOM 0 HB3 ARG A 456 32.955 16.266 -13.746 1.00 0.00 H new ATOM 0 HG2 ARG A 456 30.514 17.028 -14.127 1.00 0.00 H new ATOM 0 HG3 ARG A 456 30.096 15.327 -14.078 1.00 0.00 H new ATOM 0 HD2 ARG A 456 31.179 15.128 -11.852 1.00 0.00 H new ATOM 0 HD3 ARG A 456 31.586 16.832 -11.900 1.00 0.00 H new ATOM 0 HE ARG A 456 28.736 15.904 -12.004 1.00 0.00 H new ATOM 0 HH11 ARG A 456 31.299 17.933 -10.641 1.00 0.00 H new ATOM 0 HH12 ARG A 456 30.196 18.800 -9.567 1.00 0.00 H new ATOM 0 HH21 ARG A 456 27.336 17.003 -10.609 1.00 0.00 H new ATOM 0 HH22 ARG A 456 27.956 18.273 -9.549 1.00 0.00 H new ATOM 627 N ALA A 457 30.923 17.789 -16.549 1.00 0.00 N ATOM 628 CA ALA A 457 30.547 19.167 -16.802 1.00 0.00 C ATOM 629 C ALA A 457 30.392 19.904 -15.484 1.00 0.00 C ATOM 630 O ALA A 457 29.583 19.516 -14.634 1.00 0.00 O ATOM 631 CB ALA A 457 29.259 19.229 -17.604 1.00 0.00 C ATOM 0 H ALA A 457 30.207 17.106 -16.795 1.00 0.00 H new ATOM 0 HA ALA A 457 31.332 19.648 -17.386 1.00 0.00 H new ATOM 0 HB1 ALA A 457 28.992 20.270 -17.784 1.00 0.00 H new ATOM 0 HB2 ALA A 457 29.399 18.720 -18.558 1.00 0.00 H new ATOM 0 HB3 ALA A 457 28.459 18.741 -17.047 1.00 0.00 H new ATOM 637 N GLY A 458 31.172 20.942 -15.304 1.00 0.00 N ATOM 638 CA GLY A 458 31.134 21.689 -14.069 1.00 0.00 C ATOM 639 C GLY A 458 32.403 21.506 -13.269 1.00 0.00 C ATOM 640 O GLY A 458 32.850 22.424 -12.580 1.00 0.00 O ATOM 0 H GLY A 458 31.839 21.288 -15.994 1.00 0.00 H new ATOM 0 HA2 GLY A 458 30.990 22.747 -14.287 1.00 0.00 H new ATOM 0 HA3 GLY A 458 30.279 21.367 -13.475 1.00 0.00 H new ATOM 644 N CYS A 459 32.992 20.316 -13.364 1.00 0.00 N ATOM 645 CA CYS A 459 34.230 20.024 -12.679 1.00 0.00 C ATOM 646 C CYS A 459 35.420 20.535 -13.471 1.00 0.00 C ATOM 647 O CYS A 459 36.020 21.553 -13.111 1.00 0.00 O ATOM 648 CB CYS A 459 34.379 18.522 -12.438 1.00 0.00 C ATOM 649 SG CYS A 459 33.531 17.895 -10.957 1.00 0.00 S ATOM 0 H CYS A 459 32.622 19.541 -13.914 1.00 0.00 H new ATOM 0 HA CYS A 459 34.202 20.534 -11.716 1.00 0.00 H new ATOM 0 HB2 CYS A 459 33.998 17.990 -13.309 1.00 0.00 H new ATOM 0 HB3 CYS A 459 35.440 18.285 -12.359 1.00 0.00 H new ATOM 654 N GLY A 460 35.748 19.827 -14.558 1.00 0.00 N ATOM 655 CA GLY A 460 36.911 20.180 -15.356 1.00 0.00 C ATOM 656 C GLY A 460 38.148 20.187 -14.499 1.00 0.00 C ATOM 657 O GLY A 460 38.989 21.078 -14.594 1.00 0.00 O ATOM 0 H GLY A 460 35.227 19.018 -14.896 1.00 0.00 H new ATOM 0 HA2 GLY A 460 37.030 19.468 -16.173 1.00 0.00 H new ATOM 0 HA3 GLY A 460 36.767 21.162 -15.807 1.00 0.00 H new ATOM 661 N PHE A 461 38.243 19.190 -13.654 1.00 0.00 N ATOM 662 CA PHE A 461 39.297 19.106 -12.683 1.00 0.00 C ATOM 663 C PHE A 461 40.285 18.015 -13.059 1.00 0.00 C ATOM 664 O PHE A 461 39.900 16.978 -13.579 1.00 0.00 O ATOM 665 CB PHE A 461 38.677 18.819 -11.317 1.00 0.00 C ATOM 666 CG PHE A 461 39.603 19.008 -10.165 1.00 0.00 C ATOM 667 CD1 PHE A 461 39.912 20.279 -9.719 1.00 0.00 C ATOM 668 CD2 PHE A 461 40.151 17.920 -9.519 1.00 0.00 C ATOM 669 CE1 PHE A 461 40.753 20.462 -8.649 1.00 0.00 C ATOM 670 CE2 PHE A 461 40.995 18.095 -8.450 1.00 0.00 C ATOM 671 CZ PHE A 461 41.296 19.371 -8.013 1.00 0.00 C ATOM 0 H PHE A 461 37.585 18.411 -13.623 1.00 0.00 H new ATOM 0 HA PHE A 461 39.842 20.049 -12.650 1.00 0.00 H new ATOM 0 HB2 PHE A 461 37.812 19.468 -11.181 1.00 0.00 H new ATOM 0 HB3 PHE A 461 38.310 17.793 -11.307 1.00 0.00 H new ATOM 0 HD1 PHE A 461 39.487 21.138 -10.217 1.00 0.00 H new ATOM 0 HD2 PHE A 461 39.914 16.922 -9.857 1.00 0.00 H new ATOM 0 HE1 PHE A 461 40.987 21.460 -8.308 1.00 0.00 H new ATOM 0 HE2 PHE A 461 41.423 17.237 -7.952 1.00 0.00 H new ATOM 0 HZ PHE A 461 41.958 19.511 -7.171 1.00 0.00 H new ATOM 681 N GLU A 462 41.548 18.255 -12.806 1.00 0.00 N ATOM 682 CA GLU A 462 42.573 17.287 -13.127 1.00 0.00 C ATOM 683 C GLU A 462 43.199 16.736 -11.861 1.00 0.00 C ATOM 684 O GLU A 462 43.295 17.438 -10.852 1.00 0.00 O ATOM 685 CB GLU A 462 43.644 17.915 -14.002 1.00 0.00 C ATOM 686 CG GLU A 462 43.117 18.495 -15.299 1.00 0.00 C ATOM 687 CD GLU A 462 44.217 19.056 -16.155 1.00 0.00 C ATOM 688 OE1 GLU A 462 44.952 18.263 -16.768 1.00 0.00 O ATOM 689 OE2 GLU A 462 44.367 20.292 -16.207 1.00 0.00 O ATOM 0 H GLU A 462 41.894 19.114 -12.378 1.00 0.00 H new ATOM 0 HA GLU A 462 42.107 16.468 -13.675 1.00 0.00 H new ATOM 0 HB2 GLU A 462 44.142 18.704 -13.439 1.00 0.00 H new ATOM 0 HB3 GLU A 462 44.398 17.163 -14.232 1.00 0.00 H new ATOM 0 HG2 GLU A 462 42.586 17.721 -15.853 1.00 0.00 H new ATOM 0 HG3 GLU A 462 42.394 19.280 -15.077 1.00 0.00 H new ATOM 696 N TRP A 463 43.613 15.489 -11.916 1.00 0.00 N ATOM 697 CA TRP A 463 44.243 14.837 -10.786 1.00 0.00 C ATOM 698 C TRP A 463 45.131 13.698 -11.252 1.00 0.00 C ATOM 699 O TRP A 463 45.055 13.272 -12.411 1.00 0.00 O ATOM 700 CB TRP A 463 43.196 14.357 -9.756 1.00 0.00 C ATOM 701 CG TRP A 463 42.038 13.576 -10.328 1.00 0.00 C ATOM 702 CD1 TRP A 463 41.015 14.064 -11.093 1.00 0.00 C ATOM 703 CD2 TRP A 463 41.766 12.180 -10.141 1.00 0.00 C ATOM 704 NE1 TRP A 463 40.133 13.059 -11.401 1.00 0.00 N ATOM 705 CE2 TRP A 463 40.570 11.894 -10.831 1.00 0.00 C ATOM 706 CE3 TRP A 463 42.418 11.145 -9.465 1.00 0.00 C ATOM 707 CZ2 TRP A 463 40.015 10.621 -10.858 1.00 0.00 C ATOM 708 CZ3 TRP A 463 41.863 9.881 -9.495 1.00 0.00 C ATOM 709 CH2 TRP A 463 40.673 9.629 -10.186 1.00 0.00 C ATOM 0 H TRP A 463 43.523 14.898 -12.743 1.00 0.00 H new ATOM 0 HA TRP A 463 44.875 15.569 -10.282 1.00 0.00 H new ATOM 0 HB2 TRP A 463 43.699 13.738 -9.013 1.00 0.00 H new ATOM 0 HB3 TRP A 463 42.802 15.227 -9.231 1.00 0.00 H new ATOM 0 HD1 TRP A 463 40.916 15.092 -11.409 1.00 0.00 H new ATOM 0 HE1 TRP A 463 39.289 13.163 -11.964 1.00 0.00 H new ATOM 0 HE3 TRP A 463 43.338 11.330 -8.930 1.00 0.00 H new ATOM 0 HZ2 TRP A 463 39.097 10.422 -11.391 1.00 0.00 H new ATOM 0 HZ3 TRP A 463 42.356 9.073 -8.976 1.00 0.00 H new ATOM 0 HH2 TRP A 463 40.265 8.629 -10.189 1.00 0.00 H new ATOM 720 N CYS A 464 45.985 13.216 -10.373 1.00 0.00 N ATOM 721 CA CYS A 464 46.909 12.171 -10.732 1.00 0.00 C ATOM 722 C CYS A 464 46.284 10.788 -10.622 1.00 0.00 C ATOM 723 O CYS A 464 45.548 10.498 -9.696 1.00 0.00 O ATOM 724 CB CYS A 464 48.188 12.276 -9.913 1.00 0.00 C ATOM 725 SG CYS A 464 47.949 12.846 -8.199 1.00 0.00 S ATOM 0 H CYS A 464 46.055 13.534 -9.406 1.00 0.00 H new ATOM 0 HA CYS A 464 47.168 12.311 -11.782 1.00 0.00 H new ATOM 0 HB2 CYS A 464 48.672 11.299 -9.893 1.00 0.00 H new ATOM 0 HB3 CYS A 464 48.871 12.960 -10.417 1.00 0.00 H new ATOM 730 N TRP A 465 46.615 9.955 -11.586 1.00 0.00 N ATOM 731 CA TRP A 465 46.103 8.594 -11.695 1.00 0.00 C ATOM 732 C TRP A 465 46.411 7.756 -10.452 1.00 0.00 C ATOM 733 O TRP A 465 45.586 6.953 -10.013 1.00 0.00 O ATOM 734 CB TRP A 465 46.743 7.949 -12.925 1.00 0.00 C ATOM 735 CG TRP A 465 46.413 6.512 -13.156 1.00 0.00 C ATOM 736 CD1 TRP A 465 46.910 5.431 -12.481 1.00 0.00 C ATOM 737 CD2 TRP A 465 45.558 6.000 -14.163 1.00 0.00 C ATOM 738 NE1 TRP A 465 46.372 4.279 -12.990 1.00 0.00 N ATOM 739 CE2 TRP A 465 45.544 4.601 -14.031 1.00 0.00 C ATOM 740 CE3 TRP A 465 44.790 6.592 -15.161 1.00 0.00 C ATOM 741 CZ2 TRP A 465 44.791 3.787 -14.862 1.00 0.00 C ATOM 742 CZ3 TRP A 465 44.048 5.788 -15.986 1.00 0.00 C ATOM 743 CH2 TRP A 465 44.050 4.396 -15.834 1.00 0.00 C ATOM 0 H TRP A 465 47.261 10.205 -12.335 1.00 0.00 H new ATOM 0 HA TRP A 465 45.018 8.634 -11.787 1.00 0.00 H new ATOM 0 HB2 TRP A 465 46.443 8.516 -13.806 1.00 0.00 H new ATOM 0 HB3 TRP A 465 47.825 8.043 -12.839 1.00 0.00 H new ATOM 0 HD1 TRP A 465 47.620 5.479 -11.669 1.00 0.00 H new ATOM 0 HE1 TRP A 465 46.558 3.336 -12.649 1.00 0.00 H new ATOM 0 HE3 TRP A 465 44.779 7.665 -15.283 1.00 0.00 H new ATOM 0 HZ2 TRP A 465 44.790 2.713 -14.746 1.00 0.00 H new ATOM 0 HZ3 TRP A 465 43.451 6.236 -16.767 1.00 0.00 H new ATOM 0 HH2 TRP A 465 43.453 3.791 -16.500 1.00 0.00 H new ATOM 754 N VAL A 466 47.605 7.926 -9.912 1.00 0.00 N ATOM 755 CA VAL A 466 48.045 7.146 -8.761 1.00 0.00 C ATOM 756 C VAL A 466 47.245 7.488 -7.509 1.00 0.00 C ATOM 757 O VAL A 466 46.739 6.597 -6.821 1.00 0.00 O ATOM 758 CB VAL A 466 49.538 7.364 -8.487 1.00 0.00 C ATOM 759 CG1 VAL A 466 50.037 6.446 -7.382 1.00 0.00 C ATOM 760 CG2 VAL A 466 50.342 7.173 -9.757 1.00 0.00 C ATOM 0 H VAL A 466 48.292 8.599 -10.251 1.00 0.00 H new ATOM 0 HA VAL A 466 47.874 6.098 -9.006 1.00 0.00 H new ATOM 0 HB VAL A 466 49.673 8.390 -8.145 1.00 0.00 H new ATOM 0 HG11 VAL A 466 51.099 6.625 -7.212 1.00 0.00 H new ATOM 0 HG12 VAL A 466 49.484 6.647 -6.465 1.00 0.00 H new ATOM 0 HG13 VAL A 466 49.887 5.407 -7.676 1.00 0.00 H new ATOM 0 HG21 VAL A 466 51.399 7.331 -9.545 1.00 0.00 H new ATOM 0 HG22 VAL A 466 50.195 6.160 -10.132 1.00 0.00 H new ATOM 0 HG23 VAL A 466 50.011 7.890 -10.508 1.00 0.00 H new ATOM 770 N CYS A 467 47.133 8.773 -7.219 1.00 0.00 N ATOM 771 CA CYS A 467 46.410 9.219 -6.046 1.00 0.00 C ATOM 772 C CYS A 467 44.901 9.179 -6.299 1.00 0.00 C ATOM 773 O CYS A 467 44.448 8.771 -7.364 1.00 0.00 O ATOM 774 CB CYS A 467 46.849 10.641 -5.657 1.00 0.00 C ATOM 775 SG CYS A 467 48.634 10.801 -5.277 1.00 0.00 S ATOM 0 H CYS A 467 47.534 9.524 -7.781 1.00 0.00 H new ATOM 0 HA CYS A 467 46.640 8.545 -5.221 1.00 0.00 H new ATOM 0 HB2 CYS A 467 46.600 11.321 -6.472 1.00 0.00 H new ATOM 0 HB3 CYS A 467 46.274 10.961 -4.788 1.00 0.00 H new ATOM 780 N GLN A 468 44.141 9.571 -5.307 1.00 0.00 N ATOM 781 CA GLN A 468 42.694 9.622 -5.424 1.00 0.00 C ATOM 782 C GLN A 468 42.202 10.987 -4.995 1.00 0.00 C ATOM 783 O GLN A 468 40.998 11.231 -4.875 1.00 0.00 O ATOM 784 CB GLN A 468 42.049 8.517 -4.586 1.00 0.00 C ATOM 785 CG GLN A 468 42.354 7.118 -5.100 1.00 0.00 C ATOM 786 CD GLN A 468 41.769 6.027 -4.227 1.00 0.00 C ATOM 787 OE1 GLN A 468 40.630 5.600 -4.425 1.00 0.00 O ATOM 788 NE2 GLN A 468 42.549 5.557 -3.274 1.00 0.00 N ATOM 0 H GLN A 468 44.499 9.863 -4.398 1.00 0.00 H new ATOM 0 HA GLN A 468 42.410 9.457 -6.463 1.00 0.00 H new ATOM 0 HB2 GLN A 468 42.396 8.602 -3.556 1.00 0.00 H new ATOM 0 HB3 GLN A 468 40.969 8.664 -4.572 1.00 0.00 H new ATOM 0 HG2 GLN A 468 41.962 7.015 -6.112 1.00 0.00 H new ATOM 0 HG3 GLN A 468 43.434 6.987 -5.161 1.00 0.00 H new ATOM 0 HE21 GLN A 468 43.485 5.940 -3.146 1.00 0.00 H new ATOM 0 HE22 GLN A 468 42.216 4.810 -2.665 1.00 0.00 H new ATOM 797 N THR A 469 43.148 11.869 -4.765 1.00 0.00 N ATOM 798 CA THR A 469 42.876 13.225 -4.375 1.00 0.00 C ATOM 799 C THR A 469 43.221 14.161 -5.521 1.00 0.00 C ATOM 800 O THR A 469 43.403 13.719 -6.650 1.00 0.00 O ATOM 801 CB THR A 469 43.703 13.600 -3.133 1.00 0.00 C ATOM 802 OG1 THR A 469 45.072 13.195 -3.322 1.00 0.00 O ATOM 803 CG2 THR A 469 43.138 12.932 -1.894 1.00 0.00 C ATOM 0 H THR A 469 44.142 11.656 -4.846 1.00 0.00 H new ATOM 0 HA THR A 469 41.817 13.318 -4.133 1.00 0.00 H new ATOM 0 HB THR A 469 43.658 14.681 -2.997 1.00 0.00 H new ATOM 0 HG1 THR A 469 45.597 13.436 -2.530 1.00 0.00 H new ATOM 0 HG21 THR A 469 43.736 13.209 -1.026 1.00 0.00 H new ATOM 0 HG22 THR A 469 42.108 13.256 -1.743 1.00 0.00 H new ATOM 0 HG23 THR A 469 43.163 11.850 -2.021 1.00 0.00 H new ATOM 811 N GLU A 470 43.297 15.447 -5.240 1.00 0.00 N ATOM 812 CA GLU A 470 43.654 16.409 -6.253 1.00 0.00 C ATOM 813 C GLU A 470 45.155 16.437 -6.458 1.00 0.00 C ATOM 814 O GLU A 470 45.914 15.967 -5.603 1.00 0.00 O ATOM 815 CB GLU A 470 43.142 17.792 -5.883 1.00 0.00 C ATOM 816 CG GLU A 470 43.497 18.245 -4.482 1.00 0.00 C ATOM 817 CD GLU A 470 42.904 19.595 -4.162 1.00 0.00 C ATOM 818 OE1 GLU A 470 41.660 19.691 -4.058 1.00 0.00 O ATOM 819 OE2 GLU A 470 43.671 20.566 -4.017 1.00 0.00 O ATOM 0 H GLU A 470 43.116 15.845 -4.319 1.00 0.00 H new ATOM 0 HA GLU A 470 43.185 16.108 -7.189 1.00 0.00 H new ATOM 0 HB2 GLU A 470 43.540 18.514 -6.595 1.00 0.00 H new ATOM 0 HB3 GLU A 470 42.057 17.803 -5.990 1.00 0.00 H new ATOM 0 HG2 GLU A 470 43.139 17.510 -3.761 1.00 0.00 H new ATOM 0 HG3 GLU A 470 44.581 18.291 -4.379 1.00 0.00 H new ATOM 826 N TRP A 471 45.582 16.980 -7.584 1.00 0.00 N ATOM 827 CA TRP A 471 46.992 17.061 -7.890 1.00 0.00 C ATOM 828 C TRP A 471 47.654 18.083 -6.975 1.00 0.00 C ATOM 829 O TRP A 471 47.026 19.072 -6.573 1.00 0.00 O ATOM 830 CB TRP A 471 47.212 17.418 -9.380 1.00 0.00 C ATOM 831 CG TRP A 471 47.295 18.895 -9.682 1.00 0.00 C ATOM 832 CD1 TRP A 471 48.425 19.594 -10.007 1.00 0.00 C ATOM 833 CD2 TRP A 471 46.220 19.848 -9.695 1.00 0.00 C ATOM 834 NE1 TRP A 471 48.120 20.914 -10.215 1.00 0.00 N ATOM 835 CE2 TRP A 471 46.777 21.097 -10.031 1.00 0.00 C ATOM 836 CE3 TRP A 471 44.846 19.768 -9.452 1.00 0.00 C ATOM 837 CZ2 TRP A 471 46.009 22.252 -10.134 1.00 0.00 C ATOM 838 CZ3 TRP A 471 44.087 20.917 -9.555 1.00 0.00 C ATOM 839 CH2 TRP A 471 44.668 22.144 -9.892 1.00 0.00 C ATOM 0 H TRP A 471 44.969 17.371 -8.300 1.00 0.00 H new ATOM 0 HA TRP A 471 47.451 16.088 -7.717 1.00 0.00 H new ATOM 0 HB2 TRP A 471 48.132 16.942 -9.719 1.00 0.00 H new ATOM 0 HB3 TRP A 471 46.397 16.989 -9.964 1.00 0.00 H new ATOM 0 HD1 TRP A 471 49.414 19.168 -10.088 1.00 0.00 H new ATOM 0 HE1 TRP A 471 48.788 21.643 -10.467 1.00 0.00 H new ATOM 0 HE3 TRP A 471 44.387 18.826 -9.189 1.00 0.00 H new ATOM 0 HZ2 TRP A 471 46.456 23.200 -10.396 1.00 0.00 H new ATOM 0 HZ3 TRP A 471 43.024 20.867 -9.372 1.00 0.00 H new ATOM 0 HH2 TRP A 471 44.045 23.023 -9.962 1.00 0.00 H new ATOM 850 N THR A 472 48.895 17.840 -6.623 1.00 0.00 N ATOM 851 CA THR A 472 49.612 18.735 -5.744 1.00 0.00 C ATOM 852 C THR A 472 50.967 19.067 -6.323 1.00 0.00 C ATOM 853 O THR A 472 51.380 18.486 -7.329 1.00 0.00 O ATOM 854 CB THR A 472 49.820 18.111 -4.345 1.00 0.00 C ATOM 855 OG1 THR A 472 50.647 16.943 -4.448 1.00 0.00 O ATOM 856 CG2 THR A 472 48.491 17.735 -3.707 1.00 0.00 C ATOM 0 H THR A 472 49.430 17.029 -6.932 1.00 0.00 H new ATOM 0 HA THR A 472 49.010 19.638 -5.646 1.00 0.00 H new ATOM 0 HB THR A 472 50.308 18.854 -3.715 1.00 0.00 H new ATOM 0 HG1 THR A 472 50.321 16.374 -5.176 1.00 0.00 H new ATOM 0 HG21 THR A 472 48.670 17.299 -2.724 1.00 0.00 H new ATOM 0 HG22 THR A 472 47.873 18.627 -3.601 1.00 0.00 H new ATOM 0 HG23 THR A 472 47.977 17.010 -4.338 1.00 0.00 H new ATOM 864 N ARG A 473 51.664 19.988 -5.684 1.00 0.00 N ATOM 865 CA ARG A 473 53.003 20.339 -6.098 1.00 0.00 C ATOM 866 C ARG A 473 54.004 19.409 -5.434 1.00 0.00 C ATOM 867 O ARG A 473 55.205 19.482 -5.683 1.00 0.00 O ATOM 868 CB ARG A 473 53.315 21.798 -5.776 1.00 0.00 C ATOM 869 CG ARG A 473 52.430 22.772 -6.528 1.00 0.00 C ATOM 870 CD ARG A 473 52.899 24.200 -6.362 1.00 0.00 C ATOM 871 NE ARG A 473 52.117 25.118 -7.181 1.00 0.00 N ATOM 872 CZ ARG A 473 52.640 26.049 -7.983 1.00 0.00 C ATOM 873 NH1 ARG A 473 53.961 26.185 -8.088 1.00 0.00 N ATOM 874 NH2 ARG A 473 51.845 26.836 -8.693 1.00 0.00 N ATOM 0 H ARG A 473 51.321 20.506 -4.875 1.00 0.00 H new ATOM 0 HA ARG A 473 53.076 20.222 -7.179 1.00 0.00 H new ATOM 0 HB2 ARG A 473 53.197 21.961 -4.705 1.00 0.00 H new ATOM 0 HB3 ARG A 473 54.358 22.003 -6.017 1.00 0.00 H new ATOM 0 HG2 ARG A 473 52.422 22.513 -7.587 1.00 0.00 H new ATOM 0 HG3 ARG A 473 51.404 22.682 -6.170 1.00 0.00 H new ATOM 0 HD2 ARG A 473 52.822 24.490 -5.314 1.00 0.00 H new ATOM 0 HD3 ARG A 473 53.951 24.273 -6.636 1.00 0.00 H new ATOM 0 HE ARG A 473 51.101 25.044 -7.139 1.00 0.00 H new ATOM 0 HH11 ARG A 473 54.580 25.576 -7.554 1.00 0.00 H new ATOM 0 HH12 ARG A 473 54.353 26.898 -8.703 1.00 0.00 H new ATOM 0 HH21 ARG A 473 50.833 26.731 -8.627 1.00 0.00 H new ATOM 0 HH22 ARG A 473 52.245 27.547 -9.305 1.00 0.00 H new ATOM 888 N ASP A 474 53.486 18.525 -4.590 1.00 0.00 N ATOM 889 CA ASP A 474 54.299 17.527 -3.919 1.00 0.00 C ATOM 890 C ASP A 474 54.471 16.318 -4.809 1.00 0.00 C ATOM 891 O ASP A 474 55.591 15.879 -5.066 1.00 0.00 O ATOM 892 CB ASP A 474 53.673 17.112 -2.587 1.00 0.00 C ATOM 893 CG ASP A 474 54.257 17.857 -1.410 1.00 0.00 C ATOM 894 OD1 ASP A 474 55.305 17.421 -0.889 1.00 0.00 O ATOM 895 OD2 ASP A 474 53.677 18.882 -0.992 1.00 0.00 O ATOM 0 H ASP A 474 52.495 18.482 -4.354 1.00 0.00 H new ATOM 0 HA ASP A 474 55.276 17.965 -3.713 1.00 0.00 H new ATOM 0 HB2 ASP A 474 52.598 17.288 -2.625 1.00 0.00 H new ATOM 0 HB3 ASP A 474 53.816 16.041 -2.441 1.00 0.00 H new ATOM 900 N CYS A 475 53.356 15.784 -5.299 1.00 0.00 N ATOM 901 CA CYS A 475 53.395 14.645 -6.198 1.00 0.00 C ATOM 902 C CYS A 475 53.462 15.106 -7.655 1.00 0.00 C ATOM 903 O CYS A 475 53.231 14.331 -8.590 1.00 0.00 O ATOM 904 CB CYS A 475 52.208 13.705 -5.941 1.00 0.00 C ATOM 905 SG CYS A 475 50.541 14.452 -6.067 1.00 0.00 S ATOM 0 H CYS A 475 52.418 16.124 -5.087 1.00 0.00 H new ATOM 0 HA CYS A 475 54.303 14.076 -5.999 1.00 0.00 H new ATOM 0 HB2 CYS A 475 52.267 12.878 -6.649 1.00 0.00 H new ATOM 0 HB3 CYS A 475 52.318 13.280 -4.944 1.00 0.00 H new ATOM 910 N MET A 476 53.818 16.369 -7.827 1.00 0.00 N ATOM 911 CA MET A 476 53.958 16.972 -9.138 1.00 0.00 C ATOM 912 C MET A 476 55.187 16.437 -9.852 1.00 0.00 C ATOM 913 O MET A 476 56.302 16.510 -9.338 1.00 0.00 O ATOM 914 CB MET A 476 54.021 18.500 -9.018 1.00 0.00 C ATOM 915 CG MET A 476 54.336 19.229 -10.315 1.00 0.00 C ATOM 916 SD MET A 476 54.094 21.013 -10.187 1.00 0.00 S ATOM 917 CE MET A 476 52.309 21.106 -9.996 1.00 0.00 C ATOM 0 H MET A 476 54.018 17.006 -7.056 1.00 0.00 H new ATOM 0 HA MET A 476 53.083 16.708 -9.732 1.00 0.00 H new ATOM 0 HB2 MET A 476 53.065 18.860 -8.638 1.00 0.00 H new ATOM 0 HB3 MET A 476 54.777 18.761 -8.278 1.00 0.00 H new ATOM 0 HG2 MET A 476 55.368 19.026 -10.600 1.00 0.00 H new ATOM 0 HG3 MET A 476 53.703 18.837 -11.111 1.00 0.00 H new ATOM 0 HE1 MET A 476 51.979 22.133 -10.153 1.00 0.00 H new ATOM 0 HE2 MET A 476 51.830 20.455 -10.728 1.00 0.00 H new ATOM 0 HE3 MET A 476 52.033 20.786 -8.991 1.00 0.00 H new ATOM 927 N GLY A 477 54.970 15.883 -11.033 1.00 0.00 N ATOM 928 CA GLY A 477 56.057 15.320 -11.800 1.00 0.00 C ATOM 929 C GLY A 477 56.269 13.862 -11.479 1.00 0.00 C ATOM 930 O GLY A 477 56.831 13.120 -12.269 1.00 0.00 O ATOM 0 H GLY A 477 54.054 15.813 -11.476 1.00 0.00 H new ATOM 0 HA2 GLY A 477 55.848 15.432 -12.864 1.00 0.00 H new ATOM 0 HA3 GLY A 477 56.973 15.875 -11.595 1.00 0.00 H new ATOM 934 N ALA A 478 55.797 13.449 -10.321 1.00 0.00 N ATOM 935 CA ALA A 478 55.945 12.077 -9.888 1.00 0.00 C ATOM 936 C ALA A 478 54.902 11.178 -10.542 1.00 0.00 C ATOM 937 O ALA A 478 55.091 9.968 -10.645 1.00 0.00 O ATOM 938 CB ALA A 478 55.845 11.995 -8.372 1.00 0.00 C ATOM 0 H ALA A 478 55.305 14.049 -9.660 1.00 0.00 H new ATOM 0 HA ALA A 478 56.929 11.725 -10.197 1.00 0.00 H new ATOM 0 HB1 ALA A 478 55.958 10.958 -8.055 1.00 0.00 H new ATOM 0 HB2 ALA A 478 56.633 12.599 -7.922 1.00 0.00 H new ATOM 0 HB3 ALA A 478 54.873 12.369 -8.051 1.00 0.00 H new ATOM 944 N HIS A 479 53.807 11.772 -10.995 1.00 0.00 N ATOM 945 CA HIS A 479 52.730 10.992 -11.591 1.00 0.00 C ATOM 946 C HIS A 479 52.606 11.216 -13.096 1.00 0.00 C ATOM 947 O HIS A 479 52.774 10.283 -13.873 1.00 0.00 O ATOM 948 CB HIS A 479 51.401 11.295 -10.917 1.00 0.00 C ATOM 949 CG HIS A 479 51.381 11.044 -9.441 1.00 0.00 C ATOM 950 ND1 HIS A 479 51.549 9.814 -8.863 1.00 0.00 N ATOM 951 CD2 HIS A 479 51.165 11.895 -8.426 1.00 0.00 C ATOM 952 CE1 HIS A 479 51.417 9.957 -7.539 1.00 0.00 C ATOM 953 NE2 HIS A 479 51.180 11.206 -7.224 1.00 0.00 N ATOM 0 H HIS A 479 53.641 12.778 -10.963 1.00 0.00 H new ATOM 0 HA HIS A 479 52.987 9.945 -11.432 1.00 0.00 H new ATOM 0 HB2 HIS A 479 51.146 12.339 -11.099 1.00 0.00 H new ATOM 0 HB3 HIS A 479 50.624 10.691 -11.386 1.00 0.00 H new ATOM 0 HD2 HIS A 479 51.004 12.958 -8.530 1.00 0.00 H new ATOM 0 HE1 HIS A 479 51.495 9.150 -6.825 1.00 0.00 H new ATOM 0 HE2 HIS A 479 51.037 11.591 -6.290 1.00 0.00 H new ATOM 961 N TRP A 480 52.318 12.458 -13.506 1.00 0.00 N ATOM 962 CA TRP A 480 52.100 12.763 -14.929 1.00 0.00 C ATOM 963 C TRP A 480 53.366 12.663 -15.784 1.00 0.00 C ATOM 964 O TRP A 480 53.337 12.921 -16.985 1.00 0.00 O ATOM 965 CB TRP A 480 51.391 14.108 -15.138 1.00 0.00 C ATOM 966 CG TRP A 480 51.780 15.192 -14.187 1.00 0.00 C ATOM 967 CD1 TRP A 480 52.751 16.134 -14.359 1.00 0.00 C ATOM 968 CD2 TRP A 480 51.177 15.462 -12.923 1.00 0.00 C ATOM 969 NE1 TRP A 480 52.788 16.974 -13.271 1.00 0.00 N ATOM 970 CE2 TRP A 480 51.825 16.580 -12.378 1.00 0.00 C ATOM 971 CE3 TRP A 480 50.144 14.858 -12.202 1.00 0.00 C ATOM 972 CZ2 TRP A 480 51.473 17.111 -11.143 1.00 0.00 C ATOM 973 CZ3 TRP A 480 49.798 15.387 -10.975 1.00 0.00 C ATOM 974 CH2 TRP A 480 50.461 16.504 -10.458 1.00 0.00 C ATOM 0 H TRP A 480 52.231 13.260 -12.882 1.00 0.00 H new ATOM 0 HA TRP A 480 51.432 11.978 -15.283 1.00 0.00 H new ATOM 0 HB2 TRP A 480 51.590 14.450 -16.154 1.00 0.00 H new ATOM 0 HB3 TRP A 480 50.316 13.948 -15.060 1.00 0.00 H new ATOM 0 HD1 TRP A 480 53.396 16.209 -15.222 1.00 0.00 H new ATOM 0 HE1 TRP A 480 53.426 17.760 -13.148 1.00 0.00 H new ATOM 0 HE3 TRP A 480 49.627 13.996 -12.596 1.00 0.00 H new ATOM 0 HZ2 TRP A 480 51.982 17.974 -10.740 1.00 0.00 H new ATOM 0 HZ3 TRP A 480 49.002 14.931 -10.405 1.00 0.00 H new ATOM 0 HH2 TRP A 480 50.166 16.895 -9.496 1.00 0.00 H new ATOM 985 N PHE A 481 54.460 12.287 -15.166 1.00 0.00 N ATOM 986 CA PHE A 481 55.694 12.054 -15.875 1.00 0.00 C ATOM 987 C PHE A 481 56.621 11.238 -14.996 1.00 0.00 C ATOM 988 O PHE A 481 57.646 11.720 -14.524 1.00 0.00 O ATOM 989 CB PHE A 481 56.350 13.365 -16.330 1.00 0.00 C ATOM 990 CG PHE A 481 57.490 13.169 -17.301 1.00 0.00 C ATOM 991 CD1 PHE A 481 57.254 12.657 -18.568 1.00 0.00 C ATOM 992 CD2 PHE A 481 58.789 13.497 -16.950 1.00 0.00 C ATOM 993 CE1 PHE A 481 58.293 12.476 -19.462 1.00 0.00 C ATOM 994 CE2 PHE A 481 59.831 13.318 -17.840 1.00 0.00 C ATOM 995 CZ PHE A 481 59.583 12.807 -19.097 1.00 0.00 C ATOM 0 H PHE A 481 54.519 12.134 -14.159 1.00 0.00 H new ATOM 0 HA PHE A 481 55.479 11.494 -16.785 1.00 0.00 H new ATOM 0 HB2 PHE A 481 55.593 13.997 -16.795 1.00 0.00 H new ATOM 0 HB3 PHE A 481 56.718 13.900 -15.454 1.00 0.00 H new ATOM 0 HD1 PHE A 481 56.247 12.397 -18.860 1.00 0.00 H new ATOM 0 HD2 PHE A 481 58.990 13.898 -15.968 1.00 0.00 H new ATOM 0 HE1 PHE A 481 58.096 12.076 -20.446 1.00 0.00 H new ATOM 0 HE2 PHE A 481 60.839 13.578 -17.552 1.00 0.00 H new ATOM 0 HZ PHE A 481 60.396 12.666 -19.794 1.00 0.00 H new ATOM 1005 N GLY A 482 56.197 10.011 -14.735 1.00 0.00 N ATOM 1006 CA GLY A 482 56.957 9.103 -13.911 1.00 0.00 C ATOM 1007 C GLY A 482 58.293 8.768 -14.520 1.00 0.00 C ATOM 1008 O GLY A 482 59.298 9.399 -14.141 1.00 0.00 O ATOM 1009 OXT GLY A 482 58.340 7.889 -15.410 1.00 0.00 O ATOM 0 H GLY A 482 55.322 9.625 -15.089 1.00 0.00 H new ATOM 0 HA2 GLY A 482 57.109 9.548 -12.927 1.00 0.00 H new ATOM 0 HA3 GLY A 482 56.387 8.186 -13.762 1.00 0.00 H new TER 1013 GLY A 482 HETATM 1014 ZN ZN A 1 34.600 15.753 -10.825 1.00 0.00 ZN HETATM 1015 ZN ZN A 2 49.363 12.459 -6.569 1.00 0.00 ZN