USER MOD reduce.3.24.130724 H: found=0, std=0, add=595, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 596 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 NoAdj-H: A 452 HIS HE2 : A 452 HIS NE2 : A 489 ZNZN :(H bumps) USER MOD NoAdj-H: A 455 HIS HD1 : A 455 HIS ND1 : A 488 ZNZN :(H bumps) USER MOD NoAdj-H: A 481 HIS HD1 : A 481 HIS ND1 : A 489 ZNZN :(H bumps) USER MOD Set 1.1: A 420 CYS SG : rot 62:sc= -1.67 USER MOD Set 1.2: A 459 MET CE :methyl 180:sc= -2.52! (180deg=-2.52!) USER MOD Single : A 410 SER OG : rot 180:sc= 0 USER MOD Single : A 415 TYR OH : rot -74:sc= 0.346 USER MOD Single : A 418 THR OG1 : rot 180:sc= 0.117 USER MOD Single : A 422 THR OG1 : rot -62:sc= 0.807 USER MOD Single : A 428 ASN : amide:sc= -0.17 K(o=-0.17,f=-0.96) USER MOD Single : A 429 THR OG1 : rot 180:sc= 0 USER MOD Single : A 434 TYR OH : rot 180:sc= -1.46 USER MOD Single : A 435 SER OG : rot 180:sc= 0 USER MOD Single : A 436 THR OG1 : rot 59:sc= 0.0603 USER MOD Single : A 439 ASN : amide:sc= -0.819 X(o=-0.82,f=-0.35) USER MOD Single : A 440 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 443 MET CE :methyl -169:sc= -3.4 (180deg=-4.01!) USER MOD Single : A 445 TYR OH : rot -78:sc= 1.18 USER MOD Single : A 447 SER OG : rot 65:sc= 0.452 USER MOD Single : A 448 HIS : no HD1:sc= -2.68 K(o=-2.7,f=-1) USER MOD Single : A 457 GLN : amide:sc=-0.000419 X(o=-0.00042,f=0) USER MOD Single : A 465 THR OG1 : rot 180:sc= 0.0217 USER MOD Single : A 468 HIS : no HD1:sc= -2.84! K(o=-2.8!,f=-1.2) USER MOD Single : A 470 SER OG : rot 180:sc= 0 USER MOD Single : A 473 SER OG : rot 180:sc= 0 USER MOD Single : A 474 ASN : amide:sc= 0 K(o=0,f=-0.64) USER MOD Single : A 475 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 476 TYR OH : rot 180:sc= 0 USER MOD Single : A 477 TYR OH : rot 41:sc= 0.0762 USER MOD Single : A 479 ASN : amide:sc= -0.965 K(o=-0.97,f=-2.6!) USER MOD Single : A 483 GLN : amide:sc= -0.633 X(o=-0.63,f=-0.2) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 406 70.390 -27.251 -0.706 1.00 0.00 N ATOM 2 CA GLY A 406 70.643 -25.833 -0.322 1.00 0.00 C ATOM 3 C GLY A 406 71.442 -25.136 -1.427 1.00 0.00 C ATOM 4 O GLY A 406 72.651 -25.040 -1.347 1.00 0.00 O ATOM 0 HA2 GLY A 406 69.698 -25.315 -0.161 1.00 0.00 H new ATOM 0 HA3 GLY A 406 71.192 -25.793 0.619 1.00 0.00 H new ATOM 10 N PRO A 407 70.739 -24.672 -2.430 1.00 0.00 N ATOM 11 CA PRO A 407 71.400 -23.977 -3.562 1.00 0.00 C ATOM 12 C PRO A 407 71.868 -22.583 -3.135 1.00 0.00 C ATOM 13 O PRO A 407 73.010 -22.216 -3.332 1.00 0.00 O ATOM 14 CB PRO A 407 70.301 -23.883 -4.616 1.00 0.00 C ATOM 15 CG PRO A 407 69.018 -23.940 -3.849 1.00 0.00 C ATOM 16 CD PRO A 407 69.282 -24.746 -2.603 1.00 0.00 C ATOM 0 HA PRO A 407 72.287 -24.496 -3.924 1.00 0.00 H new ATOM 0 HB2 PRO A 407 70.379 -22.957 -5.185 1.00 0.00 H new ATOM 0 HB3 PRO A 407 70.369 -24.703 -5.331 1.00 0.00 H new ATOM 0 HG2 PRO A 407 68.677 -22.937 -3.594 1.00 0.00 H new ATOM 0 HG3 PRO A 407 68.232 -24.401 -4.447 1.00 0.00 H new ATOM 0 HD2 PRO A 407 68.757 -24.332 -1.742 1.00 0.00 H new ATOM 0 HD3 PRO A 407 68.946 -25.777 -2.716 1.00 0.00 H new ATOM 24 N LEU A 408 70.995 -21.807 -2.550 1.00 0.00 N ATOM 25 CA LEU A 408 71.388 -20.437 -2.110 1.00 0.00 C ATOM 26 C LEU A 408 70.718 -20.099 -0.775 1.00 0.00 C ATOM 27 O LEU A 408 71.369 -19.991 0.247 1.00 0.00 O ATOM 28 CB LEU A 408 70.886 -19.504 -3.216 1.00 0.00 C ATOM 29 CG LEU A 408 72.078 -18.855 -3.923 1.00 0.00 C ATOM 30 CD1 LEU A 408 72.666 -19.835 -4.939 1.00 0.00 C ATOM 31 CD2 LEU A 408 71.613 -17.589 -4.645 1.00 0.00 C ATOM 0 H LEU A 408 70.026 -22.063 -2.358 1.00 0.00 H new ATOM 0 HA LEU A 408 72.463 -20.344 -1.958 1.00 0.00 H new ATOM 0 HB2 LEU A 408 70.286 -20.064 -3.933 1.00 0.00 H new ATOM 0 HB3 LEU A 408 70.240 -18.736 -2.792 1.00 0.00 H new ATOM 0 HG LEU A 408 72.840 -18.596 -3.188 1.00 0.00 H new ATOM 0 HD11 LEU A 408 73.515 -19.372 -5.442 1.00 0.00 H new ATOM 0 HD12 LEU A 408 72.997 -20.737 -4.425 1.00 0.00 H new ATOM 0 HD13 LEU A 408 71.906 -20.095 -5.675 1.00 0.00 H new ATOM 0 HD21 LEU A 408 72.461 -17.125 -5.149 1.00 0.00 H new ATOM 0 HD22 LEU A 408 70.851 -17.848 -5.380 1.00 0.00 H new ATOM 0 HD23 LEU A 408 71.195 -16.890 -3.921 1.00 0.00 H new ATOM 43 N GLY A 409 69.422 -19.933 -0.777 1.00 0.00 N ATOM 44 CA GLY A 409 68.709 -19.601 0.491 1.00 0.00 C ATOM 45 C GLY A 409 67.200 -19.730 0.275 1.00 0.00 C ATOM 46 O GLY A 409 66.489 -20.266 1.104 1.00 0.00 O ATOM 0 H GLY A 409 68.827 -20.013 -1.601 1.00 0.00 H new ATOM 0 HA2 GLY A 409 69.032 -20.270 1.288 1.00 0.00 H new ATOM 0 HA3 GLY A 409 68.957 -18.587 0.806 1.00 0.00 H new ATOM 50 N SER A 410 66.704 -19.241 -0.833 1.00 0.00 N ATOM 51 CA SER A 410 65.237 -19.332 -1.110 1.00 0.00 C ATOM 52 C SER A 410 64.433 -18.767 0.070 1.00 0.00 C ATOM 53 O SER A 410 63.871 -19.513 0.847 1.00 0.00 O ATOM 54 CB SER A 410 64.955 -20.824 -1.287 1.00 0.00 C ATOM 55 OG SER A 410 63.872 -20.992 -2.194 1.00 0.00 O ATOM 0 H SER A 410 67.252 -18.781 -1.560 1.00 0.00 H new ATOM 0 HA SER A 410 64.950 -18.757 -1.990 1.00 0.00 H new ATOM 0 HB2 SER A 410 65.843 -21.332 -1.664 1.00 0.00 H new ATOM 0 HB3 SER A 410 64.713 -21.277 -0.326 1.00 0.00 H new ATOM 0 HG SER A 410 63.689 -21.948 -2.311 1.00 0.00 H new ATOM 61 N PRO A 411 64.407 -17.462 0.166 1.00 0.00 N ATOM 62 CA PRO A 411 63.663 -16.797 1.264 1.00 0.00 C ATOM 63 C PRO A 411 62.154 -16.895 1.024 1.00 0.00 C ATOM 64 O PRO A 411 61.699 -17.633 0.172 1.00 0.00 O ATOM 65 CB PRO A 411 64.132 -15.347 1.190 1.00 0.00 C ATOM 66 CG PRO A 411 64.578 -15.154 -0.225 1.00 0.00 C ATOM 67 CD PRO A 411 65.056 -16.492 -0.726 1.00 0.00 C ATOM 0 HA PRO A 411 63.845 -17.249 2.239 1.00 0.00 H new ATOM 0 HB2 PRO A 411 63.327 -14.659 1.447 1.00 0.00 H new ATOM 0 HB3 PRO A 411 64.947 -15.160 1.889 1.00 0.00 H new ATOM 0 HG2 PRO A 411 63.758 -14.783 -0.840 1.00 0.00 H new ATOM 0 HG3 PRO A 411 65.377 -14.415 -0.279 1.00 0.00 H new ATOM 0 HD2 PRO A 411 64.771 -16.653 -1.765 1.00 0.00 H new ATOM 0 HD3 PRO A 411 66.142 -16.571 -0.678 1.00 0.00 H new ATOM 75 N GLU A 412 61.377 -16.157 1.769 1.00 0.00 N ATOM 76 CA GLU A 412 59.896 -16.206 1.588 1.00 0.00 C ATOM 77 C GLU A 412 59.444 -15.097 0.633 1.00 0.00 C ATOM 78 O GLU A 412 58.693 -15.331 -0.292 1.00 0.00 O ATOM 79 CB GLU A 412 59.316 -15.981 2.987 1.00 0.00 C ATOM 80 CG GLU A 412 58.598 -17.249 3.456 1.00 0.00 C ATOM 81 CD GLU A 412 57.102 -17.130 3.161 1.00 0.00 C ATOM 82 OE1 GLU A 412 56.723 -17.352 2.022 1.00 0.00 O ATOM 83 OE2 GLU A 412 56.359 -16.820 4.078 1.00 0.00 O ATOM 0 H GLU A 412 61.703 -15.521 2.497 1.00 0.00 H new ATOM 0 HA GLU A 412 59.563 -17.151 1.158 1.00 0.00 H new ATOM 0 HB2 GLU A 412 60.113 -15.723 3.685 1.00 0.00 H new ATOM 0 HB3 GLU A 412 58.621 -15.142 2.973 1.00 0.00 H new ATOM 0 HG2 GLU A 412 59.011 -18.121 2.949 1.00 0.00 H new ATOM 0 HG3 GLU A 412 58.758 -17.396 4.524 1.00 0.00 H new ATOM 90 N PHE A 413 59.897 -13.891 0.854 1.00 0.00 N ATOM 91 CA PHE A 413 59.493 -12.766 -0.039 1.00 0.00 C ATOM 92 C PHE A 413 60.732 -12.019 -0.542 1.00 0.00 C ATOM 93 O PHE A 413 61.366 -11.286 0.192 1.00 0.00 O ATOM 94 CB PHE A 413 58.633 -11.852 0.839 1.00 0.00 C ATOM 95 CG PHE A 413 57.210 -11.852 0.330 1.00 0.00 C ATOM 96 CD1 PHE A 413 56.363 -12.928 0.621 1.00 0.00 C ATOM 97 CD2 PHE A 413 56.740 -10.776 -0.432 1.00 0.00 C ATOM 98 CE1 PHE A 413 55.045 -12.927 0.149 1.00 0.00 C ATOM 99 CE2 PHE A 413 55.422 -10.776 -0.904 1.00 0.00 C ATOM 100 CZ PHE A 413 54.575 -11.852 -0.613 1.00 0.00 C ATOM 0 H PHE A 413 60.529 -13.637 1.614 1.00 0.00 H new ATOM 0 HA PHE A 413 58.952 -13.111 -0.920 1.00 0.00 H new ATOM 0 HB2 PHE A 413 58.660 -12.194 1.873 1.00 0.00 H new ATOM 0 HB3 PHE A 413 59.034 -10.838 0.828 1.00 0.00 H new ATOM 0 HD1 PHE A 413 56.726 -13.758 1.209 1.00 0.00 H new ATOM 0 HD2 PHE A 413 57.394 -9.946 -0.656 1.00 0.00 H new ATOM 0 HE1 PHE A 413 54.391 -13.757 0.373 1.00 0.00 H new ATOM 0 HE2 PHE A 413 55.059 -9.946 -1.492 1.00 0.00 H new ATOM 0 HZ PHE A 413 53.558 -11.852 -0.977 1.00 0.00 H new ATOM 110 N GLY A 414 61.077 -12.198 -1.790 1.00 0.00 N ATOM 111 CA GLY A 414 62.271 -11.498 -2.343 1.00 0.00 C ATOM 112 C GLY A 414 61.845 -10.153 -2.932 1.00 0.00 C ATOM 113 O GLY A 414 60.936 -10.078 -3.735 1.00 0.00 O ATOM 0 H GLY A 414 60.583 -12.799 -2.449 1.00 0.00 H new ATOM 0 HA2 GLY A 414 63.012 -11.345 -1.559 1.00 0.00 H new ATOM 0 HA3 GLY A 414 62.742 -12.111 -3.111 1.00 0.00 H new ATOM 117 N TYR A 415 62.492 -9.089 -2.538 1.00 0.00 N ATOM 118 CA TYR A 415 62.123 -7.746 -3.073 1.00 0.00 C ATOM 119 C TYR A 415 63.019 -7.385 -4.261 1.00 0.00 C ATOM 120 O TYR A 415 63.457 -6.259 -4.401 1.00 0.00 O ATOM 121 CB TYR A 415 62.353 -6.781 -1.911 1.00 0.00 C ATOM 122 CG TYR A 415 61.093 -6.681 -1.086 1.00 0.00 C ATOM 123 CD1 TYR A 415 59.911 -6.205 -1.668 1.00 0.00 C ATOM 124 CD2 TYR A 415 61.104 -7.065 0.260 1.00 0.00 C ATOM 125 CE1 TYR A 415 58.741 -6.114 -0.903 1.00 0.00 C ATOM 126 CE2 TYR A 415 59.937 -6.974 1.025 1.00 0.00 C ATOM 127 CZ TYR A 415 58.755 -6.498 0.444 1.00 0.00 C ATOM 128 OH TYR A 415 57.602 -6.408 1.197 1.00 0.00 O ATOM 0 H TYR A 415 63.261 -9.092 -1.868 1.00 0.00 H new ATOM 0 HA TYR A 415 61.094 -7.712 -3.432 1.00 0.00 H new ATOM 0 HB2 TYR A 415 63.179 -7.130 -1.292 1.00 0.00 H new ATOM 0 HB3 TYR A 415 62.632 -5.798 -2.290 1.00 0.00 H new ATOM 0 HD1 TYR A 415 59.902 -5.908 -2.706 1.00 0.00 H new ATOM 0 HD2 TYR A 415 62.015 -7.432 0.708 1.00 0.00 H new ATOM 0 HE1 TYR A 415 57.829 -5.748 -1.351 1.00 0.00 H new ATOM 0 HE2 TYR A 415 59.947 -7.271 2.063 1.00 0.00 H new ATOM 0 HH TYR A 415 57.421 -5.468 1.407 1.00 0.00 H new ATOM 138 N TRP A 416 63.287 -8.332 -5.117 1.00 0.00 N ATOM 139 CA TRP A 416 64.149 -8.053 -6.304 1.00 0.00 C ATOM 140 C TRP A 416 63.305 -7.426 -7.416 1.00 0.00 C ATOM 141 O TRP A 416 63.198 -7.960 -8.503 1.00 0.00 O ATOM 142 CB TRP A 416 64.679 -9.423 -6.735 1.00 0.00 C ATOM 143 CG TRP A 416 65.398 -10.059 -5.590 1.00 0.00 C ATOM 144 CD1 TRP A 416 65.116 -11.275 -5.069 1.00 0.00 C ATOM 145 CD2 TRP A 416 66.505 -9.527 -4.810 1.00 0.00 C ATOM 146 NE1 TRP A 416 65.982 -11.523 -4.019 1.00 0.00 N ATOM 147 CE2 TRP A 416 66.858 -10.474 -3.821 1.00 0.00 C ATOM 148 CE3 TRP A 416 67.230 -8.325 -4.868 1.00 0.00 C ATOM 149 CZ2 TRP A 416 67.896 -10.236 -2.920 1.00 0.00 C ATOM 150 CZ3 TRP A 416 68.275 -8.082 -3.964 1.00 0.00 C ATOM 151 CH2 TRP A 416 68.608 -9.035 -2.993 1.00 0.00 C ATOM 0 H TRP A 416 62.946 -9.291 -5.047 1.00 0.00 H new ATOM 0 HA TRP A 416 64.959 -7.358 -6.083 1.00 0.00 H new ATOM 0 HB2 TRP A 416 63.855 -10.058 -7.060 1.00 0.00 H new ATOM 0 HB3 TRP A 416 65.352 -9.314 -7.586 1.00 0.00 H new ATOM 0 HD1 TRP A 416 64.342 -11.943 -5.416 1.00 0.00 H new ATOM 0 HE1 TRP A 416 65.974 -12.376 -3.460 1.00 0.00 H new ATOM 0 HE3 TRP A 416 66.981 -7.584 -5.613 1.00 0.00 H new ATOM 0 HZ2 TRP A 416 68.148 -10.973 -2.172 1.00 0.00 H new ATOM 0 HZ3 TRP A 416 68.826 -7.155 -4.017 1.00 0.00 H new ATOM 0 HH2 TRP A 416 69.414 -8.842 -2.301 1.00 0.00 H new ATOM 162 N ILE A 417 62.692 -6.306 -7.143 1.00 0.00 N ATOM 163 CA ILE A 417 61.837 -5.649 -8.177 1.00 0.00 C ATOM 164 C ILE A 417 62.174 -4.160 -8.293 1.00 0.00 C ATOM 165 O ILE A 417 63.220 -3.713 -7.868 1.00 0.00 O ATOM 166 CB ILE A 417 60.406 -5.833 -7.667 1.00 0.00 C ATOM 167 CG1 ILE A 417 60.251 -5.147 -6.306 1.00 0.00 C ATOM 168 CG2 ILE A 417 60.111 -7.325 -7.514 1.00 0.00 C ATOM 169 CD1 ILE A 417 58.774 -5.132 -5.906 1.00 0.00 C ATOM 0 H ILE A 417 62.745 -5.817 -6.250 1.00 0.00 H new ATOM 0 HA ILE A 417 61.986 -6.079 -9.167 1.00 0.00 H new ATOM 0 HB ILE A 417 59.710 -5.390 -8.379 1.00 0.00 H new ATOM 0 HG12 ILE A 417 60.837 -5.674 -5.553 1.00 0.00 H new ATOM 0 HG13 ILE A 417 60.636 -4.128 -6.355 1.00 0.00 H new ATOM 0 HG21 ILE A 417 59.092 -7.459 -7.151 1.00 0.00 H new ATOM 0 HG22 ILE A 417 60.220 -7.818 -8.480 1.00 0.00 H new ATOM 0 HG23 ILE A 417 60.811 -7.763 -6.802 1.00 0.00 H new ATOM 0 HD11 ILE A 417 58.664 -4.644 -4.938 1.00 0.00 H new ATOM 0 HD12 ILE A 417 58.200 -4.586 -6.655 1.00 0.00 H new ATOM 0 HD13 ILE A 417 58.404 -6.155 -5.840 1.00 0.00 H new ATOM 181 N THR A 418 61.284 -3.392 -8.862 1.00 0.00 N ATOM 182 CA THR A 418 61.531 -1.930 -9.005 1.00 0.00 C ATOM 183 C THR A 418 60.885 -1.180 -7.838 1.00 0.00 C ATOM 184 O THR A 418 60.086 -1.727 -7.105 1.00 0.00 O ATOM 185 CB THR A 418 60.871 -1.541 -10.329 1.00 0.00 C ATOM 186 OG1 THR A 418 59.705 -2.331 -10.529 1.00 0.00 O ATOM 187 CG2 THR A 418 61.852 -1.773 -11.478 1.00 0.00 C ATOM 0 H THR A 418 60.392 -3.717 -9.235 1.00 0.00 H new ATOM 0 HA THR A 418 62.593 -1.683 -8.998 1.00 0.00 H new ATOM 0 HB THR A 418 60.593 -0.487 -10.300 1.00 0.00 H new ATOM 0 HG1 THR A 418 59.281 -2.080 -11.376 1.00 0.00 H new ATOM 0 HG21 THR A 418 61.380 -1.495 -12.421 1.00 0.00 H new ATOM 0 HG22 THR A 418 62.743 -1.164 -11.325 1.00 0.00 H new ATOM 0 HG23 THR A 418 62.133 -2.826 -11.509 1.00 0.00 H new ATOM 195 N CYS A 419 61.231 0.065 -7.656 1.00 0.00 N ATOM 196 CA CYS A 419 60.642 0.846 -6.529 1.00 0.00 C ATOM 197 C CYS A 419 60.660 2.353 -6.841 1.00 0.00 C ATOM 198 O CYS A 419 60.400 3.176 -5.984 1.00 0.00 O ATOM 199 CB CYS A 419 61.529 0.480 -5.323 1.00 0.00 C ATOM 200 SG CYS A 419 62.656 1.832 -4.888 1.00 0.00 S ATOM 0 H CYS A 419 61.895 0.576 -8.238 1.00 0.00 H new ATOM 0 HA CYS A 419 59.594 0.613 -6.342 1.00 0.00 H new ATOM 0 HB2 CYS A 419 60.899 0.241 -4.466 1.00 0.00 H new ATOM 0 HB3 CYS A 419 62.106 -0.415 -5.554 1.00 0.00 H new ATOM 205 N CYS A 420 60.960 2.721 -8.063 1.00 0.00 N ATOM 206 CA CYS A 420 60.995 4.169 -8.429 1.00 0.00 C ATOM 207 C CYS A 420 61.301 4.310 -9.928 1.00 0.00 C ATOM 208 O CYS A 420 61.355 3.324 -10.636 1.00 0.00 O ATOM 209 CB CYS A 420 62.126 4.762 -7.579 1.00 0.00 C ATOM 210 SG CYS A 420 61.462 6.047 -6.489 1.00 0.00 S ATOM 0 H CYS A 420 61.182 2.078 -8.823 1.00 0.00 H new ATOM 0 HA CYS A 420 60.049 4.678 -8.246 1.00 0.00 H new ATOM 0 HB2 CYS A 420 62.598 3.978 -6.987 1.00 0.00 H new ATOM 0 HB3 CYS A 420 62.897 5.182 -8.225 1.00 0.00 H new ATOM 0 HG CYS A 420 60.589 5.522 -5.682 1.00 0.00 H new ATOM 216 N PRO A 421 61.494 5.529 -10.373 1.00 0.00 N ATOM 217 CA PRO A 421 61.793 5.763 -11.805 1.00 0.00 C ATOM 218 C PRO A 421 63.263 5.445 -12.106 1.00 0.00 C ATOM 219 O PRO A 421 63.693 5.472 -13.242 1.00 0.00 O ATOM 220 CB PRO A 421 61.496 7.247 -11.997 1.00 0.00 C ATOM 221 CG PRO A 421 61.651 7.867 -10.642 1.00 0.00 C ATOM 222 CD PRO A 421 61.454 6.783 -9.608 1.00 0.00 C ATOM 0 HA PRO A 421 61.209 5.132 -12.475 1.00 0.00 H new ATOM 0 HB2 PRO A 421 62.184 7.695 -12.714 1.00 0.00 H new ATOM 0 HB3 PRO A 421 60.488 7.398 -12.384 1.00 0.00 H new ATOM 0 HG2 PRO A 421 62.639 8.317 -10.539 1.00 0.00 H new ATOM 0 HG3 PRO A 421 60.921 8.665 -10.502 1.00 0.00 H new ATOM 0 HD2 PRO A 421 62.237 6.810 -8.851 1.00 0.00 H new ATOM 0 HD3 PRO A 421 60.503 6.900 -9.088 1.00 0.00 H new ATOM 230 N THR A 422 64.034 5.137 -11.095 1.00 0.00 N ATOM 231 CA THR A 422 65.473 4.806 -11.315 1.00 0.00 C ATOM 232 C THR A 422 65.924 3.759 -10.292 1.00 0.00 C ATOM 233 O THR A 422 66.928 3.920 -9.626 1.00 0.00 O ATOM 234 CB THR A 422 66.226 6.123 -11.111 1.00 0.00 C ATOM 235 OG1 THR A 422 67.622 5.889 -11.220 1.00 0.00 O ATOM 236 CG2 THR A 422 65.910 6.694 -9.726 1.00 0.00 C ATOM 0 H THR A 422 63.727 5.101 -10.123 1.00 0.00 H new ATOM 0 HA THR A 422 65.658 4.390 -12.305 1.00 0.00 H new ATOM 0 HB THR A 422 65.914 6.838 -11.872 1.00 0.00 H new ATOM 0 HG1 THR A 422 67.906 5.268 -10.516 1.00 0.00 H new ATOM 0 HG21 THR A 422 66.449 7.631 -9.587 1.00 0.00 H new ATOM 0 HG22 THR A 422 64.838 6.876 -9.643 1.00 0.00 H new ATOM 0 HG23 THR A 422 66.217 5.982 -8.960 1.00 0.00 H new ATOM 244 N CYS A 423 65.181 2.694 -10.160 1.00 0.00 N ATOM 245 CA CYS A 423 65.552 1.635 -9.176 1.00 0.00 C ATOM 246 C CYS A 423 66.482 0.603 -9.817 1.00 0.00 C ATOM 247 O CYS A 423 66.467 0.396 -11.015 1.00 0.00 O ATOM 248 CB CYS A 423 64.225 0.985 -8.785 1.00 0.00 C ATOM 249 SG CYS A 423 64.514 -0.262 -7.505 1.00 0.00 S ATOM 0 H CYS A 423 64.331 2.510 -10.692 1.00 0.00 H new ATOM 0 HA CYS A 423 66.084 2.043 -8.316 1.00 0.00 H new ATOM 0 HB2 CYS A 423 63.531 1.742 -8.419 1.00 0.00 H new ATOM 0 HB3 CYS A 423 63.763 0.524 -9.658 1.00 0.00 H new ATOM 254 N ASP A 424 67.293 -0.045 -9.023 1.00 0.00 N ATOM 255 CA ASP A 424 68.229 -1.065 -9.569 1.00 0.00 C ATOM 256 C ASP A 424 68.527 -2.129 -8.506 1.00 0.00 C ATOM 257 O ASP A 424 69.621 -2.653 -8.432 1.00 0.00 O ATOM 258 CB ASP A 424 69.499 -0.289 -9.918 1.00 0.00 C ATOM 259 CG ASP A 424 69.909 0.601 -8.740 1.00 0.00 C ATOM 260 OD1 ASP A 424 69.712 0.183 -7.611 1.00 0.00 O ATOM 261 OD2 ASP A 424 70.412 1.684 -8.989 1.00 0.00 O ATOM 0 H ASP A 424 67.346 0.091 -8.014 1.00 0.00 H new ATOM 0 HA ASP A 424 67.817 -1.584 -10.434 1.00 0.00 H new ATOM 0 HB2 ASP A 424 70.305 -0.983 -10.158 1.00 0.00 H new ATOM 0 HB3 ASP A 424 69.330 0.322 -10.805 1.00 0.00 H new ATOM 266 N VAL A 425 67.562 -2.446 -7.682 1.00 0.00 N ATOM 267 CA VAL A 425 67.790 -3.472 -6.620 1.00 0.00 C ATOM 268 C VAL A 425 67.905 -4.867 -7.240 1.00 0.00 C ATOM 269 O VAL A 425 67.098 -5.267 -8.057 1.00 0.00 O ATOM 270 CB VAL A 425 66.565 -3.381 -5.706 1.00 0.00 C ATOM 271 CG1 VAL A 425 66.609 -4.499 -4.661 1.00 0.00 C ATOM 272 CG2 VAL A 425 66.566 -2.026 -4.995 1.00 0.00 C ATOM 0 H VAL A 425 66.627 -2.039 -7.698 1.00 0.00 H new ATOM 0 HA VAL A 425 68.716 -3.298 -6.072 1.00 0.00 H new ATOM 0 HB VAL A 425 65.661 -3.485 -6.306 1.00 0.00 H new ATOM 0 HG11 VAL A 425 65.734 -4.427 -4.015 1.00 0.00 H new ATOM 0 HG12 VAL A 425 66.611 -5.466 -5.163 1.00 0.00 H new ATOM 0 HG13 VAL A 425 67.513 -4.400 -4.060 1.00 0.00 H new ATOM 0 HG21 VAL A 425 65.695 -1.957 -4.343 1.00 0.00 H new ATOM 0 HG22 VAL A 425 67.474 -1.928 -4.400 1.00 0.00 H new ATOM 0 HG23 VAL A 425 66.530 -1.227 -5.735 1.00 0.00 H new ATOM 282 N ASP A 426 68.906 -5.610 -6.849 1.00 0.00 N ATOM 283 CA ASP A 426 69.092 -6.983 -7.400 1.00 0.00 C ATOM 284 C ASP A 426 70.219 -7.694 -6.646 1.00 0.00 C ATOM 285 O ASP A 426 71.310 -7.173 -6.515 1.00 0.00 O ATOM 286 CB ASP A 426 69.472 -6.780 -8.869 1.00 0.00 C ATOM 287 CG ASP A 426 68.796 -7.851 -9.726 1.00 0.00 C ATOM 288 OD1 ASP A 426 67.617 -8.087 -9.521 1.00 0.00 O ATOM 289 OD2 ASP A 426 69.469 -8.416 -10.571 1.00 0.00 O ATOM 0 H ASP A 426 69.607 -5.322 -6.167 1.00 0.00 H new ATOM 0 HA ASP A 426 68.197 -7.596 -7.298 1.00 0.00 H new ATOM 0 HB2 ASP A 426 69.166 -5.788 -9.201 1.00 0.00 H new ATOM 0 HB3 ASP A 426 70.554 -6.836 -8.986 1.00 0.00 H new ATOM 294 N ILE A 427 69.966 -8.874 -6.145 1.00 0.00 N ATOM 295 CA ILE A 427 71.026 -9.612 -5.394 1.00 0.00 C ATOM 296 C ILE A 427 72.307 -9.705 -6.229 1.00 0.00 C ATOM 297 O ILE A 427 73.402 -9.708 -5.702 1.00 0.00 O ATOM 298 CB ILE A 427 70.444 -11.003 -5.133 1.00 0.00 C ATOM 299 CG1 ILE A 427 71.466 -11.850 -4.365 1.00 0.00 C ATOM 300 CG2 ILE A 427 70.110 -11.683 -6.463 1.00 0.00 C ATOM 301 CD1 ILE A 427 70.982 -12.060 -2.928 1.00 0.00 C ATOM 0 H ILE A 427 69.072 -9.359 -6.223 1.00 0.00 H new ATOM 0 HA ILE A 427 71.294 -9.108 -4.465 1.00 0.00 H new ATOM 0 HB ILE A 427 69.534 -10.907 -4.541 1.00 0.00 H new ATOM 0 HG12 ILE A 427 71.600 -12.813 -4.859 1.00 0.00 H new ATOM 0 HG13 ILE A 427 72.437 -11.354 -4.364 1.00 0.00 H new ATOM 0 HG21 ILE A 427 69.696 -12.673 -6.272 1.00 0.00 H new ATOM 0 HG22 ILE A 427 69.379 -11.083 -7.005 1.00 0.00 H new ATOM 0 HG23 ILE A 427 71.017 -11.778 -7.061 1.00 0.00 H new ATOM 0 HD11 ILE A 427 71.709 -12.662 -2.383 1.00 0.00 H new ATOM 0 HD12 ILE A 427 70.871 -11.093 -2.437 1.00 0.00 H new ATOM 0 HD13 ILE A 427 70.021 -12.574 -2.939 1.00 0.00 H new ATOM 313 N ASN A 428 72.179 -9.770 -7.530 1.00 0.00 N ATOM 314 CA ASN A 428 73.395 -9.849 -8.394 1.00 0.00 C ATOM 315 C ASN A 428 74.332 -8.681 -8.071 1.00 0.00 C ATOM 316 O ASN A 428 75.529 -8.755 -8.272 1.00 0.00 O ATOM 317 CB ASN A 428 72.875 -9.745 -9.831 1.00 0.00 C ATOM 318 CG ASN A 428 73.497 -10.855 -10.681 1.00 0.00 C ATOM 319 OD1 ASN A 428 73.676 -11.964 -10.218 1.00 0.00 O ATOM 320 ND2 ASN A 428 73.836 -10.603 -11.916 1.00 0.00 N ATOM 0 H ASN A 428 71.289 -9.772 -8.029 1.00 0.00 H new ATOM 0 HA ASN A 428 73.959 -10.769 -8.239 1.00 0.00 H new ATOM 0 HB2 ASN A 428 71.788 -9.829 -9.843 1.00 0.00 H new ATOM 0 HB3 ASN A 428 73.124 -8.770 -10.249 1.00 0.00 H new ATOM 0 HD21 ASN A 428 74.250 -11.337 -12.491 1.00 0.00 H new ATOM 0 HD22 ASN A 428 73.686 -9.673 -12.306 1.00 0.00 H new ATOM 327 N THR A 429 73.790 -7.605 -7.563 1.00 0.00 N ATOM 328 CA THR A 429 74.634 -6.429 -7.210 1.00 0.00 C ATOM 329 C THR A 429 74.193 -5.849 -5.862 1.00 0.00 C ATOM 330 O THR A 429 74.567 -4.751 -5.497 1.00 0.00 O ATOM 331 CB THR A 429 74.395 -5.418 -8.334 1.00 0.00 C ATOM 332 OG1 THR A 429 73.011 -5.388 -8.655 1.00 0.00 O ATOM 333 CG2 THR A 429 75.200 -5.824 -9.568 1.00 0.00 C ATOM 0 H THR A 429 72.794 -7.491 -7.377 1.00 0.00 H new ATOM 0 HA THR A 429 75.688 -6.690 -7.114 1.00 0.00 H new ATOM 0 HB THR A 429 74.713 -4.428 -8.007 1.00 0.00 H new ATOM 0 HG1 THR A 429 72.856 -4.740 -9.374 1.00 0.00 H new ATOM 0 HG21 THR A 429 75.029 -5.103 -10.367 1.00 0.00 H new ATOM 0 HG22 THR A 429 76.261 -5.845 -9.319 1.00 0.00 H new ATOM 0 HG23 THR A 429 74.885 -6.814 -9.898 1.00 0.00 H new ATOM 341 N TRP A 430 73.400 -6.578 -5.115 1.00 0.00 N ATOM 342 CA TRP A 430 72.938 -6.066 -3.791 1.00 0.00 C ATOM 343 C TRP A 430 73.534 -6.900 -2.658 1.00 0.00 C ATOM 344 O TRP A 430 74.075 -7.967 -2.873 1.00 0.00 O ATOM 345 CB TRP A 430 71.421 -6.233 -3.793 1.00 0.00 C ATOM 346 CG TRP A 430 70.851 -5.527 -2.614 1.00 0.00 C ATOM 347 CD1 TRP A 430 70.508 -4.220 -2.534 1.00 0.00 C ATOM 348 CD2 TRP A 430 70.565 -6.105 -1.339 1.00 0.00 C ATOM 349 NE1 TRP A 430 70.023 -3.974 -1.257 1.00 0.00 N ATOM 350 CE2 TRP A 430 70.041 -5.120 -0.481 1.00 0.00 C ATOM 351 CE3 TRP A 430 70.720 -7.395 -0.870 1.00 0.00 C ATOM 352 CZ2 TRP A 430 69.677 -5.424 0.832 1.00 0.00 C ATOM 353 CZ3 TRP A 430 70.360 -7.724 0.447 1.00 0.00 C ATOM 354 CH2 TRP A 430 69.838 -6.736 1.300 1.00 0.00 C ATOM 0 H TRP A 430 73.054 -7.504 -5.366 1.00 0.00 H new ATOM 0 HA TRP A 430 73.243 -5.031 -3.639 1.00 0.00 H new ATOM 0 HB2 TRP A 430 71.000 -5.828 -4.713 1.00 0.00 H new ATOM 0 HB3 TRP A 430 71.159 -7.291 -3.761 1.00 0.00 H new ATOM 0 HD1 TRP A 430 70.597 -3.493 -3.328 1.00 0.00 H new ATOM 0 HE1 TRP A 430 69.695 -3.065 -0.932 1.00 0.00 H new ATOM 0 HE3 TRP A 430 71.121 -8.157 -1.522 1.00 0.00 H new ATOM 0 HZ2 TRP A 430 69.276 -4.658 1.479 1.00 0.00 H new ATOM 0 HZ3 TRP A 430 70.484 -8.736 0.804 1.00 0.00 H new ATOM 0 HH2 TRP A 430 69.562 -6.987 2.313 1.00 0.00 H new ATOM 365 N VAL A 431 73.419 -6.423 -1.448 1.00 0.00 N ATOM 366 CA VAL A 431 73.957 -7.180 -0.282 1.00 0.00 C ATOM 367 C VAL A 431 73.163 -6.821 0.980 1.00 0.00 C ATOM 368 O VAL A 431 72.469 -5.824 1.007 1.00 0.00 O ATOM 369 CB VAL A 431 75.412 -6.734 -0.144 1.00 0.00 C ATOM 370 CG1 VAL A 431 76.201 -7.143 -1.390 1.00 0.00 C ATOM 371 CG2 VAL A 431 75.473 -5.212 0.019 1.00 0.00 C ATOM 0 H VAL A 431 72.973 -5.536 -1.216 1.00 0.00 H new ATOM 0 HA VAL A 431 73.880 -8.259 -0.419 1.00 0.00 H new ATOM 0 HB VAL A 431 75.848 -7.212 0.733 1.00 0.00 H new ATOM 0 HG11 VAL A 431 77.238 -6.822 -1.286 1.00 0.00 H new ATOM 0 HG12 VAL A 431 76.166 -8.227 -1.503 1.00 0.00 H new ATOM 0 HG13 VAL A 431 75.762 -6.672 -2.269 1.00 0.00 H new ATOM 0 HG21 VAL A 431 76.512 -4.898 0.117 1.00 0.00 H new ATOM 0 HG22 VAL A 431 75.031 -4.734 -0.855 1.00 0.00 H new ATOM 0 HG23 VAL A 431 74.920 -4.919 0.911 1.00 0.00 H new ATOM 381 N PRO A 432 73.292 -7.644 1.991 1.00 0.00 N ATOM 382 CA PRO A 432 72.571 -7.391 3.263 1.00 0.00 C ATOM 383 C PRO A 432 73.181 -6.190 3.990 1.00 0.00 C ATOM 384 O PRO A 432 74.219 -6.290 4.614 1.00 0.00 O ATOM 385 CB PRO A 432 72.783 -8.678 4.057 1.00 0.00 C ATOM 386 CG PRO A 432 74.037 -9.273 3.500 1.00 0.00 C ATOM 387 CD PRO A 432 74.105 -8.866 2.052 1.00 0.00 C ATOM 0 HA PRO A 432 71.516 -7.155 3.121 1.00 0.00 H new ATOM 0 HB2 PRO A 432 72.883 -8.473 5.123 1.00 0.00 H new ATOM 0 HB3 PRO A 432 71.938 -9.357 3.941 1.00 0.00 H new ATOM 0 HG2 PRO A 432 74.910 -8.914 4.044 1.00 0.00 H new ATOM 0 HG3 PRO A 432 74.026 -10.359 3.596 1.00 0.00 H new ATOM 0 HD2 PRO A 432 75.132 -8.679 1.737 1.00 0.00 H new ATOM 0 HD3 PRO A 432 73.708 -9.643 1.399 1.00 0.00 H new ATOM 395 N PHE A 433 72.543 -5.052 3.909 1.00 0.00 N ATOM 396 CA PHE A 433 73.083 -3.838 4.589 1.00 0.00 C ATOM 397 C PHE A 433 72.355 -3.606 5.915 1.00 0.00 C ATOM 398 O PHE A 433 72.902 -3.043 6.843 1.00 0.00 O ATOM 399 CB PHE A 433 72.807 -2.687 3.618 1.00 0.00 C ATOM 400 CG PHE A 433 74.022 -1.795 3.532 1.00 0.00 C ATOM 401 CD1 PHE A 433 75.250 -2.327 3.124 1.00 0.00 C ATOM 402 CD2 PHE A 433 73.919 -0.438 3.859 1.00 0.00 C ATOM 403 CE1 PHE A 433 76.378 -1.500 3.043 1.00 0.00 C ATOM 404 CE2 PHE A 433 75.047 0.389 3.777 1.00 0.00 C ATOM 405 CZ PHE A 433 76.276 -0.143 3.369 1.00 0.00 C ATOM 0 H PHE A 433 71.670 -4.911 3.401 1.00 0.00 H new ATOM 0 HA PHE A 433 74.144 -3.932 4.822 1.00 0.00 H new ATOM 0 HB2 PHE A 433 72.562 -3.081 2.632 1.00 0.00 H new ATOM 0 HB3 PHE A 433 71.944 -2.112 3.955 1.00 0.00 H new ATOM 0 HD1 PHE A 433 75.328 -3.374 2.872 1.00 0.00 H new ATOM 0 HD2 PHE A 433 72.971 -0.029 4.174 1.00 0.00 H new ATOM 0 HE1 PHE A 433 77.327 -1.910 2.729 1.00 0.00 H new ATOM 0 HE2 PHE A 433 74.968 1.436 4.028 1.00 0.00 H new ATOM 0 HZ PHE A 433 77.146 0.494 3.306 1.00 0.00 H new ATOM 415 N TYR A 434 71.124 -4.032 6.009 1.00 0.00 N ATOM 416 CA TYR A 434 70.357 -3.833 7.274 1.00 0.00 C ATOM 417 C TYR A 434 70.624 -4.991 8.238 1.00 0.00 C ATOM 418 O TYR A 434 70.906 -6.100 7.829 1.00 0.00 O ATOM 419 CB TYR A 434 68.884 -3.810 6.854 1.00 0.00 C ATOM 420 CG TYR A 434 68.706 -2.899 5.660 1.00 0.00 C ATOM 421 CD1 TYR A 434 68.838 -1.512 5.809 1.00 0.00 C ATOM 422 CD2 TYR A 434 68.413 -3.443 4.405 1.00 0.00 C ATOM 423 CE1 TYR A 434 68.676 -0.672 4.701 1.00 0.00 C ATOM 424 CE2 TYR A 434 68.251 -2.602 3.297 1.00 0.00 C ATOM 425 CZ TYR A 434 68.383 -1.218 3.446 1.00 0.00 C ATOM 426 OH TYR A 434 68.223 -0.391 2.353 1.00 0.00 O ATOM 0 H TYR A 434 70.616 -4.509 5.265 1.00 0.00 H new ATOM 0 HA TYR A 434 70.643 -2.916 7.789 1.00 0.00 H new ATOM 0 HB2 TYR A 434 68.551 -4.818 6.607 1.00 0.00 H new ATOM 0 HB3 TYR A 434 68.266 -3.464 7.682 1.00 0.00 H new ATOM 0 HD1 TYR A 434 69.064 -1.091 6.778 1.00 0.00 H new ATOM 0 HD2 TYR A 434 68.312 -4.512 4.290 1.00 0.00 H new ATOM 0 HE1 TYR A 434 68.777 0.397 4.815 1.00 0.00 H new ATOM 0 HE2 TYR A 434 68.024 -3.022 2.328 1.00 0.00 H new ATOM 0 HH TYR A 434 68.025 -0.932 1.560 1.00 0.00 H new ATOM 436 N SER A 435 70.541 -4.739 9.518 1.00 0.00 N ATOM 437 CA SER A 435 70.792 -5.823 10.512 1.00 0.00 C ATOM 438 C SER A 435 69.525 -6.657 10.723 1.00 0.00 C ATOM 439 O SER A 435 69.588 -7.811 11.104 1.00 0.00 O ATOM 440 CB SER A 435 71.178 -5.095 11.801 1.00 0.00 C ATOM 441 OG SER A 435 72.521 -5.415 12.137 1.00 0.00 O ATOM 0 H SER A 435 70.310 -3.829 9.918 1.00 0.00 H new ATOM 0 HA SER A 435 71.570 -6.512 10.183 1.00 0.00 H new ATOM 0 HB2 SER A 435 71.070 -4.018 11.670 1.00 0.00 H new ATOM 0 HB3 SER A 435 70.509 -5.386 12.611 1.00 0.00 H new ATOM 0 HG SER A 435 72.772 -4.949 12.962 1.00 0.00 H new ATOM 447 N THR A 436 68.377 -6.084 10.481 1.00 0.00 N ATOM 448 CA THR A 436 67.106 -6.845 10.669 1.00 0.00 C ATOM 449 C THR A 436 66.626 -7.416 9.332 1.00 0.00 C ATOM 450 O THR A 436 65.443 -7.585 9.109 1.00 0.00 O ATOM 451 CB THR A 436 66.107 -5.819 11.205 1.00 0.00 C ATOM 452 OG1 THR A 436 66.226 -4.613 10.464 1.00 0.00 O ATOM 453 CG2 THR A 436 66.397 -5.544 12.681 1.00 0.00 C ATOM 0 H THR A 436 68.263 -5.122 10.161 1.00 0.00 H new ATOM 0 HA THR A 436 67.227 -7.690 11.347 1.00 0.00 H new ATOM 0 HB THR A 436 65.095 -6.210 11.103 1.00 0.00 H new ATOM 0 HG1 THR A 436 66.048 -4.792 9.517 1.00 0.00 H new ATOM 0 HG21 THR A 436 65.684 -4.813 13.062 1.00 0.00 H new ATOM 0 HG22 THR A 436 66.305 -6.470 13.249 1.00 0.00 H new ATOM 0 HG23 THR A 436 67.409 -5.153 12.786 1.00 0.00 H new ATOM 461 N GLU A 437 67.534 -7.714 8.442 1.00 0.00 N ATOM 462 CA GLU A 437 67.128 -8.274 7.119 1.00 0.00 C ATOM 463 C GLU A 437 68.017 -9.464 6.751 1.00 0.00 C ATOM 464 O GLU A 437 69.225 -9.413 6.885 1.00 0.00 O ATOM 465 CB GLU A 437 67.326 -7.129 6.126 1.00 0.00 C ATOM 466 CG GLU A 437 66.314 -6.019 6.417 1.00 0.00 C ATOM 467 CD GLU A 437 64.913 -6.490 6.024 1.00 0.00 C ATOM 468 OE1 GLU A 437 64.646 -6.567 4.836 1.00 0.00 O ATOM 469 OE2 GLU A 437 64.129 -6.767 6.918 1.00 0.00 O ATOM 0 H GLU A 437 68.538 -7.594 8.573 1.00 0.00 H new ATOM 0 HA GLU A 437 66.100 -8.637 7.123 1.00 0.00 H new ATOM 0 HB2 GLU A 437 68.341 -6.739 6.202 1.00 0.00 H new ATOM 0 HB3 GLU A 437 67.200 -7.492 5.106 1.00 0.00 H new ATOM 0 HG2 GLU A 437 66.338 -5.759 7.475 1.00 0.00 H new ATOM 0 HG3 GLU A 437 66.576 -5.119 5.861 1.00 0.00 H new ATOM 476 N LEU A 438 67.429 -10.534 6.285 1.00 0.00 N ATOM 477 CA LEU A 438 68.239 -11.728 5.904 1.00 0.00 C ATOM 478 C LEU A 438 68.548 -11.698 4.403 1.00 0.00 C ATOM 479 O LEU A 438 67.818 -12.246 3.600 1.00 0.00 O ATOM 480 CB LEU A 438 67.356 -12.932 6.247 1.00 0.00 C ATOM 481 CG LEU A 438 67.847 -13.590 7.541 1.00 0.00 C ATOM 482 CD1 LEU A 438 69.287 -14.077 7.359 1.00 0.00 C ATOM 483 CD2 LEU A 438 67.792 -12.575 8.686 1.00 0.00 C ATOM 0 H LEU A 438 66.423 -10.633 6.152 1.00 0.00 H new ATOM 0 HA LEU A 438 69.196 -11.763 6.425 1.00 0.00 H new ATOM 0 HB2 LEU A 438 66.320 -12.613 6.362 1.00 0.00 H new ATOM 0 HB3 LEU A 438 67.378 -13.654 5.431 1.00 0.00 H new ATOM 0 HG LEU A 438 67.206 -14.439 7.777 1.00 0.00 H new ATOM 0 HD11 LEU A 438 69.632 -14.544 8.281 1.00 0.00 H new ATOM 0 HD12 LEU A 438 69.325 -14.804 6.548 1.00 0.00 H new ATOM 0 HD13 LEU A 438 69.930 -13.230 7.118 1.00 0.00 H new ATOM 0 HD21 LEU A 438 68.141 -13.045 9.606 1.00 0.00 H new ATOM 0 HD22 LEU A 438 68.430 -11.723 8.448 1.00 0.00 H new ATOM 0 HD23 LEU A 438 66.766 -12.233 8.820 1.00 0.00 H new ATOM 495 N ASN A 439 69.624 -11.060 4.021 1.00 0.00 N ATOM 496 CA ASN A 439 69.985 -10.988 2.572 1.00 0.00 C ATOM 497 C ASN A 439 68.812 -10.438 1.755 1.00 0.00 C ATOM 498 O ASN A 439 68.411 -11.015 0.763 1.00 0.00 O ATOM 499 CB ASN A 439 70.296 -12.430 2.165 1.00 0.00 C ATOM 500 CG ASN A 439 71.516 -12.451 1.242 1.00 0.00 C ATOM 501 OD1 ASN A 439 71.461 -12.990 0.155 1.00 0.00 O ATOM 502 ND2 ASN A 439 72.624 -11.882 1.633 1.00 0.00 N ATOM 0 H ASN A 439 70.270 -10.584 4.651 1.00 0.00 H new ATOM 0 HA ASN A 439 70.831 -10.324 2.393 1.00 0.00 H new ATOM 0 HB2 ASN A 439 70.487 -13.035 3.051 1.00 0.00 H new ATOM 0 HB3 ASN A 439 69.436 -12.869 1.658 1.00 0.00 H new ATOM 0 HD21 ASN A 439 73.443 -11.890 1.026 1.00 0.00 H new ATOM 0 HD22 ASN A 439 72.670 -11.429 2.546 1.00 0.00 H new ATOM 509 N LYS A 440 68.259 -9.328 2.166 1.00 0.00 N ATOM 510 CA LYS A 440 67.110 -8.742 1.414 1.00 0.00 C ATOM 511 C LYS A 440 66.925 -7.265 1.787 1.00 0.00 C ATOM 512 O LYS A 440 67.177 -6.875 2.910 1.00 0.00 O ATOM 513 CB LYS A 440 65.892 -9.562 1.847 1.00 0.00 C ATOM 514 CG LYS A 440 65.723 -9.471 3.368 1.00 0.00 C ATOM 515 CD LYS A 440 64.595 -10.405 3.817 1.00 0.00 C ATOM 516 CE LYS A 440 63.368 -9.577 4.205 1.00 0.00 C ATOM 517 NZ LYS A 440 62.201 -10.439 3.868 1.00 0.00 N ATOM 0 H LYS A 440 68.552 -8.802 2.989 1.00 0.00 H new ATOM 0 HA LYS A 440 67.264 -8.778 0.335 1.00 0.00 H new ATOM 0 HB2 LYS A 440 64.996 -9.191 1.349 1.00 0.00 H new ATOM 0 HB3 LYS A 440 66.016 -10.602 1.547 1.00 0.00 H new ATOM 0 HG2 LYS A 440 66.654 -9.744 3.864 1.00 0.00 H new ATOM 0 HG3 LYS A 440 65.496 -8.445 3.658 1.00 0.00 H new ATOM 0 HD2 LYS A 440 64.341 -11.097 3.014 1.00 0.00 H new ATOM 0 HD3 LYS A 440 64.923 -11.007 4.664 1.00 0.00 H new ATOM 0 HE2 LYS A 440 63.380 -9.326 5.266 1.00 0.00 H new ATOM 0 HE3 LYS A 440 63.336 -8.636 3.655 1.00 0.00 H new ATOM 0 HZ1 LYS A 440 61.320 -9.940 4.106 1.00 0.00 H new ATOM 0 HZ2 LYS A 440 62.212 -10.656 2.851 1.00 0.00 H new ATOM 0 HZ3 LYS A 440 62.255 -11.324 4.412 1.00 0.00 H new ATOM 531 N PRO A 441 66.485 -6.486 0.828 1.00 0.00 N ATOM 532 CA PRO A 441 66.264 -5.037 1.067 1.00 0.00 C ATOM 533 C PRO A 441 65.030 -4.815 1.948 1.00 0.00 C ATOM 534 O PRO A 441 63.958 -5.313 1.666 1.00 0.00 O ATOM 535 CB PRO A 441 66.031 -4.472 -0.332 1.00 0.00 C ATOM 536 CG PRO A 441 65.540 -5.630 -1.140 1.00 0.00 C ATOM 537 CD PRO A 441 66.159 -6.871 -0.552 1.00 0.00 C ATOM 0 HA PRO A 441 67.098 -4.562 1.585 1.00 0.00 H new ATOM 0 HB2 PRO A 441 65.299 -3.664 -0.315 1.00 0.00 H new ATOM 0 HB3 PRO A 441 66.950 -4.061 -0.750 1.00 0.00 H new ATOM 0 HG2 PRO A 441 64.452 -5.689 -1.108 1.00 0.00 H new ATOM 0 HG3 PRO A 441 65.822 -5.517 -2.187 1.00 0.00 H new ATOM 0 HD2 PRO A 441 65.467 -7.713 -0.579 1.00 0.00 H new ATOM 0 HD3 PRO A 441 67.050 -7.172 -1.103 1.00 0.00 H new ATOM 545 N ALA A 442 65.172 -4.058 3.004 1.00 0.00 N ATOM 546 CA ALA A 442 64.005 -3.791 3.895 1.00 0.00 C ATOM 547 C ALA A 442 63.007 -2.885 3.171 1.00 0.00 C ATOM 548 O ALA A 442 62.930 -1.699 3.428 1.00 0.00 O ATOM 549 CB ALA A 442 64.589 -3.081 5.117 1.00 0.00 C ATOM 0 H ALA A 442 66.045 -3.613 3.288 1.00 0.00 H new ATOM 0 HA ALA A 442 63.475 -4.701 4.176 1.00 0.00 H new ATOM 0 HB1 ALA A 442 63.789 -2.851 5.821 1.00 0.00 H new ATOM 0 HB2 ALA A 442 65.321 -3.729 5.599 1.00 0.00 H new ATOM 0 HB3 ALA A 442 65.074 -2.156 4.803 1.00 0.00 H new ATOM 555 N MET A 443 62.251 -3.435 2.259 1.00 0.00 N ATOM 556 CA MET A 443 61.263 -2.609 1.501 1.00 0.00 C ATOM 557 C MET A 443 60.321 -1.870 2.455 1.00 0.00 C ATOM 558 O MET A 443 60.291 -2.126 3.643 1.00 0.00 O ATOM 559 CB MET A 443 60.484 -3.606 0.636 1.00 0.00 C ATOM 560 CG MET A 443 60.764 -3.336 -0.848 1.00 0.00 C ATOM 561 SD MET A 443 59.200 -3.084 -1.727 1.00 0.00 S ATOM 562 CE MET A 443 59.870 -3.133 -3.407 1.00 0.00 C ATOM 0 H MET A 443 62.274 -4.423 2.005 1.00 0.00 H new ATOM 0 HA MET A 443 61.754 -1.844 0.900 1.00 0.00 H new ATOM 0 HB2 MET A 443 60.773 -4.626 0.890 1.00 0.00 H new ATOM 0 HB3 MET A 443 59.416 -3.518 0.836 1.00 0.00 H new ATOM 0 HG2 MET A 443 61.398 -2.456 -0.954 1.00 0.00 H new ATOM 0 HG3 MET A 443 61.307 -4.175 -1.284 1.00 0.00 H new ATOM 0 HE1 MET A 443 59.107 -2.804 -4.113 1.00 0.00 H new ATOM 0 HE2 MET A 443 60.735 -2.473 -3.473 1.00 0.00 H new ATOM 0 HE3 MET A 443 60.172 -4.152 -3.649 1.00 0.00 H new ATOM 572 N ILE A 444 59.551 -0.952 1.933 1.00 0.00 N ATOM 573 CA ILE A 444 58.603 -0.184 2.788 1.00 0.00 C ATOM 574 C ILE A 444 57.354 0.177 1.978 1.00 0.00 C ATOM 575 O ILE A 444 57.152 -0.312 0.882 1.00 0.00 O ATOM 576 CB ILE A 444 59.381 1.071 3.214 1.00 0.00 C ATOM 577 CG1 ILE A 444 58.818 1.602 4.535 1.00 0.00 C ATOM 578 CG2 ILE A 444 59.275 2.159 2.139 1.00 0.00 C ATOM 579 CD1 ILE A 444 59.962 2.139 5.397 1.00 0.00 C ATOM 0 H ILE A 444 59.539 -0.701 0.944 1.00 0.00 H new ATOM 0 HA ILE A 444 58.259 -0.748 3.655 1.00 0.00 H new ATOM 0 HB ILE A 444 60.430 0.804 3.342 1.00 0.00 H new ATOM 0 HG12 ILE A 444 58.092 2.392 4.342 1.00 0.00 H new ATOM 0 HG13 ILE A 444 58.292 0.808 5.064 1.00 0.00 H new ATOM 0 HG21 ILE A 444 59.832 3.040 2.457 1.00 0.00 H new ATOM 0 HG22 ILE A 444 59.690 1.787 1.202 1.00 0.00 H new ATOM 0 HG23 ILE A 444 58.228 2.425 1.992 1.00 0.00 H new ATOM 0 HD11 ILE A 444 59.562 2.517 6.338 1.00 0.00 H new ATOM 0 HD12 ILE A 444 60.672 1.337 5.601 1.00 0.00 H new ATOM 0 HD13 ILE A 444 60.469 2.946 4.868 1.00 0.00 H new ATOM 591 N TYR A 445 56.519 1.025 2.508 1.00 0.00 N ATOM 592 CA TYR A 445 55.279 1.412 1.771 1.00 0.00 C ATOM 593 C TYR A 445 55.132 2.935 1.711 1.00 0.00 C ATOM 594 O TYR A 445 55.506 3.643 2.625 1.00 0.00 O ATOM 595 CB TYR A 445 54.135 0.800 2.578 1.00 0.00 C ATOM 596 CG TYR A 445 52.922 0.645 1.693 1.00 0.00 C ATOM 597 CD1 TYR A 445 52.789 -0.489 0.884 1.00 0.00 C ATOM 598 CD2 TYR A 445 51.932 1.634 1.683 1.00 0.00 C ATOM 599 CE1 TYR A 445 51.664 -0.634 0.063 1.00 0.00 C ATOM 600 CE2 TYR A 445 50.807 1.489 0.862 1.00 0.00 C ATOM 601 CZ TYR A 445 50.673 0.355 0.053 1.00 0.00 C ATOM 602 OH TYR A 445 49.563 0.211 -0.756 1.00 0.00 O ATOM 0 H TYR A 445 56.639 1.468 3.419 1.00 0.00 H new ATOM 0 HA TYR A 445 55.294 1.060 0.739 1.00 0.00 H new ATOM 0 HB2 TYR A 445 54.434 -0.170 2.976 1.00 0.00 H new ATOM 0 HB3 TYR A 445 53.897 1.435 3.431 1.00 0.00 H new ATOM 0 HD1 TYR A 445 53.553 -1.252 0.893 1.00 0.00 H new ATOM 0 HD2 TYR A 445 52.036 2.509 2.308 1.00 0.00 H new ATOM 0 HE1 TYR A 445 51.561 -1.508 -0.562 1.00 0.00 H new ATOM 0 HE2 TYR A 445 50.043 2.252 0.853 1.00 0.00 H new ATOM 0 HH TYR A 445 49.799 0.441 -1.679 1.00 0.00 H new ATOM 612 N CYS A 446 54.580 3.442 0.638 1.00 0.00 N ATOM 613 CA CYS A 446 54.395 4.919 0.514 1.00 0.00 C ATOM 614 C CYS A 446 52.976 5.305 0.942 1.00 0.00 C ATOM 615 O CYS A 446 52.072 4.493 0.930 1.00 0.00 O ATOM 616 CB CYS A 446 54.609 5.223 -0.972 1.00 0.00 C ATOM 617 SG CYS A 446 54.358 6.991 -1.286 1.00 0.00 S ATOM 0 H CYS A 446 54.249 2.896 -0.158 1.00 0.00 H new ATOM 0 HA CYS A 446 55.084 5.479 1.146 1.00 0.00 H new ATOM 0 HB2 CYS A 446 55.616 4.932 -1.270 1.00 0.00 H new ATOM 0 HB3 CYS A 446 53.916 4.636 -1.575 1.00 0.00 H new ATOM 622 N SER A 447 52.775 6.540 1.317 1.00 0.00 N ATOM 623 CA SER A 447 51.417 6.983 1.743 1.00 0.00 C ATOM 624 C SER A 447 50.826 7.941 0.705 1.00 0.00 C ATOM 625 O SER A 447 50.114 8.870 1.036 1.00 0.00 O ATOM 626 CB SER A 447 51.633 7.704 3.074 1.00 0.00 C ATOM 627 OG SER A 447 52.939 8.266 3.105 1.00 0.00 O ATOM 0 H SER A 447 53.495 7.262 1.347 1.00 0.00 H new ATOM 0 HA SER A 447 50.722 6.149 1.840 1.00 0.00 H new ATOM 0 HB2 SER A 447 50.886 8.487 3.200 1.00 0.00 H new ATOM 0 HB3 SER A 447 51.506 7.006 3.902 1.00 0.00 H new ATOM 0 HG SER A 447 53.014 8.957 2.414 1.00 0.00 H new ATOM 633 N HIS A 448 51.121 7.725 -0.550 1.00 0.00 N ATOM 634 CA HIS A 448 50.583 8.624 -1.612 1.00 0.00 C ATOM 635 C HIS A 448 49.476 7.915 -2.398 1.00 0.00 C ATOM 636 O HIS A 448 49.706 6.910 -3.043 1.00 0.00 O ATOM 637 CB HIS A 448 51.776 8.922 -2.520 1.00 0.00 C ATOM 638 CG HIS A 448 51.373 9.923 -3.567 1.00 0.00 C ATOM 639 ND1 HIS A 448 51.497 11.290 -3.369 1.00 0.00 N ATOM 640 CD2 HIS A 448 50.846 9.773 -4.825 1.00 0.00 C ATOM 641 CE1 HIS A 448 51.055 11.902 -4.483 1.00 0.00 C ATOM 642 NE2 HIS A 448 50.646 11.023 -5.402 1.00 0.00 N ATOM 0 H HIS A 448 51.712 6.964 -0.885 1.00 0.00 H new ATOM 0 HA HIS A 448 50.146 9.533 -1.199 1.00 0.00 H new ATOM 0 HB2 HIS A 448 52.607 9.311 -1.931 1.00 0.00 H new ATOM 0 HB3 HIS A 448 52.124 8.004 -2.994 1.00 0.00 H new ATOM 0 HD2 HIS A 448 50.621 8.828 -5.296 1.00 0.00 H new ATOM 0 HE1 HIS A 448 51.034 12.973 -4.618 1.00 0.00 H new ATOM 0 HE2 HIS A 448 50.268 11.225 -6.328 1.00 0.00 H new ATOM 650 N GLY A 449 48.277 8.433 -2.351 1.00 0.00 N ATOM 651 CA GLY A 449 47.153 7.794 -3.096 1.00 0.00 C ATOM 652 C GLY A 449 46.949 6.362 -2.595 1.00 0.00 C ATOM 653 O GLY A 449 46.639 6.137 -1.441 1.00 0.00 O ATOM 0 H GLY A 449 48.027 9.272 -1.828 1.00 0.00 H new ATOM 0 HA2 GLY A 449 46.239 8.371 -2.959 1.00 0.00 H new ATOM 0 HA3 GLY A 449 47.369 7.788 -4.164 1.00 0.00 H new ATOM 657 N ASP A 450 47.122 5.395 -3.456 1.00 0.00 N ATOM 658 CA ASP A 450 46.939 3.976 -3.033 1.00 0.00 C ATOM 659 C ASP A 450 48.157 3.500 -2.235 1.00 0.00 C ATOM 660 O ASP A 450 48.056 2.630 -1.392 1.00 0.00 O ATOM 661 CB ASP A 450 46.810 3.187 -4.337 1.00 0.00 C ATOM 662 CG ASP A 450 46.111 1.854 -4.061 1.00 0.00 C ATOM 663 OD1 ASP A 450 44.934 1.880 -3.739 1.00 0.00 O ATOM 664 OD2 ASP A 450 46.764 0.830 -4.177 1.00 0.00 O ATOM 0 H ASP A 450 47.382 5.526 -4.434 1.00 0.00 H new ATOM 0 HA ASP A 450 46.068 3.846 -2.390 1.00 0.00 H new ATOM 0 HB2 ASP A 450 46.242 3.763 -5.068 1.00 0.00 H new ATOM 0 HB3 ASP A 450 47.796 3.010 -4.767 1.00 0.00 H new ATOM 669 N GLY A 451 49.306 4.064 -2.497 1.00 0.00 N ATOM 670 CA GLY A 451 50.531 3.646 -1.757 1.00 0.00 C ATOM 671 C GLY A 451 51.120 2.394 -2.410 1.00 0.00 C ATOM 672 O GLY A 451 50.408 1.480 -2.776 1.00 0.00 O ATOM 0 H GLY A 451 49.449 4.797 -3.192 1.00 0.00 H new ATOM 0 HA2 GLY A 451 51.265 4.452 -1.763 1.00 0.00 H new ATOM 0 HA3 GLY A 451 50.288 3.445 -0.714 1.00 0.00 H new ATOM 676 N HIS A 452 52.418 2.342 -2.550 1.00 0.00 N ATOM 677 CA HIS A 452 53.055 1.143 -3.171 1.00 0.00 C ATOM 678 C HIS A 452 54.196 0.627 -2.301 1.00 0.00 C ATOM 679 O HIS A 452 54.539 1.209 -1.289 1.00 0.00 O ATOM 680 CB HIS A 452 53.575 1.572 -4.552 1.00 0.00 C ATOM 681 CG HIS A 452 54.414 2.827 -4.466 1.00 0.00 C ATOM 682 ND1 HIS A 452 55.678 2.904 -5.035 1.00 0.00 N ATOM 683 CD2 HIS A 452 54.183 4.064 -3.913 1.00 0.00 C ATOM 684 CE1 HIS A 452 56.149 4.146 -4.812 1.00 0.00 C ATOM 685 NE2 HIS A 452 55.276 4.887 -4.131 1.00 0.00 N ATOM 0 H HIS A 452 53.064 3.077 -2.262 1.00 0.00 H new ATOM 0 HA HIS A 452 52.334 0.331 -3.267 1.00 0.00 H new ATOM 0 HB2 HIS A 452 54.168 0.766 -4.984 1.00 0.00 H new ATOM 0 HB3 HIS A 452 52.732 1.742 -5.222 1.00 0.00 H new ATOM 0 HD1 HIS A 452 56.162 2.156 -5.532 1.00 0.00 H new ATOM 0 HD2 HIS A 452 53.284 4.351 -3.387 1.00 0.00 H new ATOM 0 HE1 HIS A 452 57.115 4.498 -5.144 1.00 0.00 H new ATOM 693 N TRP A 453 54.778 -0.467 -2.700 1.00 0.00 N ATOM 694 CA TRP A 453 55.902 -1.058 -1.919 1.00 0.00 C ATOM 695 C TRP A 453 57.235 -0.751 -2.609 1.00 0.00 C ATOM 696 O TRP A 453 57.393 -0.987 -3.791 1.00 0.00 O ATOM 697 CB TRP A 453 55.630 -2.561 -1.937 1.00 0.00 C ATOM 698 CG TRP A 453 54.914 -2.962 -0.688 1.00 0.00 C ATOM 699 CD1 TRP A 453 53.590 -3.227 -0.605 1.00 0.00 C ATOM 700 CD2 TRP A 453 55.454 -3.153 0.651 1.00 0.00 C ATOM 701 NE1 TRP A 453 53.282 -3.567 0.701 1.00 0.00 N ATOM 702 CE2 TRP A 453 54.399 -3.536 1.513 1.00 0.00 C ATOM 703 CE3 TRP A 453 56.745 -3.034 1.197 1.00 0.00 C ATOM 704 CZ2 TRP A 453 54.615 -3.790 2.867 1.00 0.00 C ATOM 705 CZ3 TRP A 453 56.967 -3.288 2.561 1.00 0.00 C ATOM 706 CH2 TRP A 453 55.905 -3.666 3.393 1.00 0.00 C ATOM 0 H TRP A 453 54.522 -0.983 -3.542 1.00 0.00 H new ATOM 0 HA TRP A 453 55.966 -0.660 -0.906 1.00 0.00 H new ATOM 0 HB2 TRP A 453 55.031 -2.821 -2.810 1.00 0.00 H new ATOM 0 HB3 TRP A 453 56.569 -3.109 -2.020 1.00 0.00 H new ATOM 0 HD1 TRP A 453 52.888 -3.181 -1.424 1.00 0.00 H new ATOM 0 HE1 TRP A 453 52.346 -3.810 1.024 1.00 0.00 H new ATOM 0 HE3 TRP A 453 57.571 -2.746 0.564 1.00 0.00 H new ATOM 0 HZ2 TRP A 453 53.793 -4.080 3.504 1.00 0.00 H new ATOM 0 HZ3 TRP A 453 57.962 -3.191 2.970 1.00 0.00 H new ATOM 0 HH2 TRP A 453 56.082 -3.862 4.440 1.00 0.00 H new ATOM 717 N VAL A 454 58.195 -0.231 -1.887 1.00 0.00 N ATOM 718 CA VAL A 454 59.510 0.082 -2.527 1.00 0.00 C ATOM 719 C VAL A 454 60.655 -0.013 -1.510 1.00 0.00 C ATOM 720 O VAL A 454 60.448 0.084 -0.317 1.00 0.00 O ATOM 721 CB VAL A 454 59.375 1.515 -3.052 1.00 0.00 C ATOM 722 CG1 VAL A 454 58.278 1.576 -4.117 1.00 0.00 C ATOM 723 CG2 VAL A 454 59.014 2.454 -1.900 1.00 0.00 C ATOM 0 H VAL A 454 58.128 -0.011 -0.893 1.00 0.00 H new ATOM 0 HA VAL A 454 59.745 -0.625 -3.323 1.00 0.00 H new ATOM 0 HB VAL A 454 60.324 1.824 -3.491 1.00 0.00 H new ATOM 0 HG11 VAL A 454 58.186 2.597 -4.487 1.00 0.00 H new ATOM 0 HG12 VAL A 454 58.535 0.913 -4.943 1.00 0.00 H new ATOM 0 HG13 VAL A 454 57.330 1.261 -3.681 1.00 0.00 H new ATOM 0 HG21 VAL A 454 58.919 3.472 -2.277 1.00 0.00 H new ATOM 0 HG22 VAL A 454 58.068 2.141 -1.458 1.00 0.00 H new ATOM 0 HG23 VAL A 454 59.797 2.419 -1.143 1.00 0.00 H new ATOM 733 N HIS A 455 61.863 -0.202 -1.981 1.00 0.00 N ATOM 734 CA HIS A 455 63.029 -0.308 -1.050 1.00 0.00 C ATOM 735 C HIS A 455 63.191 0.989 -0.251 1.00 0.00 C ATOM 736 O HIS A 455 62.537 1.979 -0.517 1.00 0.00 O ATOM 737 CB HIS A 455 64.252 -0.542 -1.948 1.00 0.00 C ATOM 738 CG HIS A 455 64.007 -1.719 -2.839 1.00 0.00 C ATOM 739 ND1 HIS A 455 63.874 -1.597 -4.227 1.00 0.00 N ATOM 740 CD2 HIS A 455 63.835 -3.044 -2.557 1.00 0.00 C ATOM 741 CE1 HIS A 455 63.621 -2.831 -4.721 1.00 0.00 C ATOM 742 NE2 HIS A 455 63.592 -3.717 -3.737 1.00 0.00 N ATOM 0 H HIS A 455 62.092 -0.288 -2.971 1.00 0.00 H new ATOM 0 HA HIS A 455 62.900 -1.114 -0.328 1.00 0.00 H new ATOM 0 HB2 HIS A 455 64.449 0.346 -2.549 1.00 0.00 H new ATOM 0 HB3 HIS A 455 65.137 -0.715 -1.336 1.00 0.00 H new ATOM 0 HD2 HIS A 455 63.881 -3.491 -1.575 1.00 0.00 H new ATOM 0 HE1 HIS A 455 63.465 -3.060 -5.765 1.00 0.00 H new ATOM 0 HE2 HIS A 455 63.421 -4.718 -3.834 1.00 0.00 H new ATOM 750 N ALA A 456 64.056 0.988 0.730 1.00 0.00 N ATOM 751 CA ALA A 456 64.261 2.216 1.552 1.00 0.00 C ATOM 752 C ALA A 456 65.503 2.977 1.077 1.00 0.00 C ATOM 753 O ALA A 456 65.428 4.127 0.690 1.00 0.00 O ATOM 754 CB ALA A 456 64.461 1.706 2.979 1.00 0.00 C ATOM 0 H ALA A 456 64.630 0.188 0.997 1.00 0.00 H new ATOM 0 HA ALA A 456 63.421 2.906 1.476 1.00 0.00 H new ATOM 0 HB1 ALA A 456 64.619 2.551 3.649 1.00 0.00 H new ATOM 0 HB2 ALA A 456 63.577 1.153 3.295 1.00 0.00 H new ATOM 0 HB3 ALA A 456 65.330 1.049 3.012 1.00 0.00 H new ATOM 760 N GLN A 457 66.646 2.345 1.112 1.00 0.00 N ATOM 761 CA GLN A 457 67.900 3.030 0.670 1.00 0.00 C ATOM 762 C GLN A 457 67.767 3.519 -0.776 1.00 0.00 C ATOM 763 O GLN A 457 68.455 4.430 -1.195 1.00 0.00 O ATOM 764 CB GLN A 457 68.991 1.964 0.778 1.00 0.00 C ATOM 765 CG GLN A 457 70.349 2.585 0.443 1.00 0.00 C ATOM 766 CD GLN A 457 71.465 1.698 1.000 1.00 0.00 C ATOM 767 OE1 GLN A 457 72.380 2.181 1.639 1.00 0.00 O ATOM 768 NE2 GLN A 457 71.429 0.412 0.783 1.00 0.00 N ATOM 0 H GLN A 457 66.767 1.383 1.428 1.00 0.00 H new ATOM 0 HA GLN A 457 68.122 3.908 1.277 1.00 0.00 H new ATOM 0 HB2 GLN A 457 69.009 1.548 1.785 1.00 0.00 H new ATOM 0 HB3 GLN A 457 68.778 1.141 0.096 1.00 0.00 H new ATOM 0 HG2 GLN A 457 70.457 2.689 -0.637 1.00 0.00 H new ATOM 0 HG3 GLN A 457 70.418 3.586 0.869 1.00 0.00 H new ATOM 0 HE21 GLN A 457 70.662 0.007 0.247 1.00 0.00 H new ATOM 0 HE22 GLN A 457 72.168 -0.188 1.149 1.00 0.00 H new ATOM 777 N CYS A 458 66.888 2.926 -1.540 1.00 0.00 N ATOM 778 CA CYS A 458 66.714 3.362 -2.959 1.00 0.00 C ATOM 779 C CYS A 458 66.319 4.841 -3.015 1.00 0.00 C ATOM 780 O CYS A 458 66.569 5.522 -3.991 1.00 0.00 O ATOM 781 CB CYS A 458 65.585 2.490 -3.509 1.00 0.00 C ATOM 782 SG CYS A 458 66.283 1.040 -4.340 1.00 0.00 S ATOM 0 H CYS A 458 66.283 2.160 -1.244 1.00 0.00 H new ATOM 0 HA CYS A 458 67.632 3.254 -3.536 1.00 0.00 H new ATOM 0 HB2 CYS A 458 64.928 2.175 -2.698 1.00 0.00 H new ATOM 0 HB3 CYS A 458 64.977 3.064 -4.208 1.00 0.00 H new ATOM 787 N MET A 459 65.702 5.341 -1.977 1.00 0.00 N ATOM 788 CA MET A 459 65.287 6.775 -1.972 1.00 0.00 C ATOM 789 C MET A 459 66.428 7.661 -1.457 1.00 0.00 C ATOM 790 O MET A 459 67.152 8.261 -2.227 1.00 0.00 O ATOM 791 CB MET A 459 64.084 6.834 -1.029 1.00 0.00 C ATOM 792 CG MET A 459 62.808 6.500 -1.806 1.00 0.00 C ATOM 793 SD MET A 459 62.340 4.780 -1.499 1.00 0.00 S ATOM 794 CE MET A 459 61.560 4.472 -3.102 1.00 0.00 C ATOM 0 H MET A 459 65.467 4.819 -1.133 1.00 0.00 H new ATOM 0 HA MET A 459 65.039 7.137 -2.970 1.00 0.00 H new ATOM 0 HB2 MET A 459 64.217 6.129 -0.208 1.00 0.00 H new ATOM 0 HB3 MET A 459 64.004 7.827 -0.587 1.00 0.00 H new ATOM 0 HG2 MET A 459 62.001 7.166 -1.502 1.00 0.00 H new ATOM 0 HG3 MET A 459 62.968 6.659 -2.872 1.00 0.00 H new ATOM 0 HE1 MET A 459 61.190 3.447 -3.136 1.00 0.00 H new ATOM 0 HE2 MET A 459 60.728 5.163 -3.241 1.00 0.00 H new ATOM 0 HE3 MET A 459 62.291 4.620 -3.897 1.00 0.00 H new ATOM 804 N ASP A 460 66.596 7.744 -0.161 1.00 0.00 N ATOM 805 CA ASP A 460 67.685 8.584 0.404 1.00 0.00 C ATOM 806 C ASP A 460 67.751 8.414 1.925 1.00 0.00 C ATOM 807 O ASP A 460 68.025 9.349 2.651 1.00 0.00 O ATOM 808 CB ASP A 460 67.319 10.026 0.043 1.00 0.00 C ATOM 809 CG ASP A 460 68.453 10.962 0.460 1.00 0.00 C ATOM 810 OD1 ASP A 460 69.577 10.720 0.050 1.00 0.00 O ATOM 811 OD2 ASP A 460 68.180 11.906 1.183 1.00 0.00 O ATOM 0 H ASP A 460 66.021 7.262 0.530 1.00 0.00 H new ATOM 0 HA ASP A 460 68.661 8.304 0.008 1.00 0.00 H new ATOM 0 HB2 ASP A 460 67.141 10.109 -1.029 1.00 0.00 H new ATOM 0 HB3 ASP A 460 66.394 10.313 0.543 1.00 0.00 H new ATOM 816 N LEU A 461 67.504 7.227 2.411 1.00 0.00 N ATOM 817 CA LEU A 461 67.554 6.997 3.885 1.00 0.00 C ATOM 818 C LEU A 461 68.553 5.884 4.212 1.00 0.00 C ATOM 819 O LEU A 461 68.935 5.109 3.356 1.00 0.00 O ATOM 820 CB LEU A 461 66.135 6.572 4.268 1.00 0.00 C ATOM 821 CG LEU A 461 65.156 7.707 3.954 1.00 0.00 C ATOM 822 CD1 LEU A 461 64.376 7.373 2.682 1.00 0.00 C ATOM 823 CD2 LEU A 461 64.178 7.880 5.122 1.00 0.00 C ATOM 0 H LEU A 461 67.270 6.407 1.852 1.00 0.00 H new ATOM 0 HA LEU A 461 67.876 7.884 4.431 1.00 0.00 H new ATOM 0 HB2 LEU A 461 65.853 5.673 3.720 1.00 0.00 H new ATOM 0 HB3 LEU A 461 66.092 6.325 5.329 1.00 0.00 H new ATOM 0 HG LEU A 461 65.712 8.633 3.806 1.00 0.00 H new ATOM 0 HD11 LEU A 461 63.680 8.181 2.459 1.00 0.00 H new ATOM 0 HD12 LEU A 461 65.070 7.253 1.850 1.00 0.00 H new ATOM 0 HD13 LEU A 461 63.821 6.446 2.828 1.00 0.00 H new ATOM 0 HD21 LEU A 461 63.482 8.688 4.897 1.00 0.00 H new ATOM 0 HD22 LEU A 461 63.623 6.954 5.272 1.00 0.00 H new ATOM 0 HD23 LEU A 461 64.733 8.121 6.029 1.00 0.00 H new ATOM 835 N GLU A 462 68.980 5.800 5.444 1.00 0.00 N ATOM 836 CA GLU A 462 69.955 4.736 5.827 1.00 0.00 C ATOM 837 C GLU A 462 69.322 3.782 6.844 1.00 0.00 C ATOM 838 O GLU A 462 68.149 3.876 7.149 1.00 0.00 O ATOM 839 CB GLU A 462 71.136 5.485 6.452 1.00 0.00 C ATOM 840 CG GLU A 462 72.410 5.185 5.659 1.00 0.00 C ATOM 841 CD GLU A 462 73.416 6.321 5.857 1.00 0.00 C ATOM 842 OE1 GLU A 462 73.607 6.725 6.992 1.00 0.00 O ATOM 843 OE2 GLU A 462 73.975 6.767 4.869 1.00 0.00 O ATOM 0 H GLU A 462 68.696 6.421 6.202 1.00 0.00 H new ATOM 0 HA GLU A 462 70.264 4.131 4.974 1.00 0.00 H new ATOM 0 HB2 GLU A 462 70.940 6.557 6.453 1.00 0.00 H new ATOM 0 HB3 GLU A 462 71.263 5.183 7.492 1.00 0.00 H new ATOM 0 HG2 GLU A 462 72.843 4.241 5.990 1.00 0.00 H new ATOM 0 HG3 GLU A 462 72.174 5.074 4.601 1.00 0.00 H new ATOM 850 N GLU A 463 70.088 2.863 7.368 1.00 0.00 N ATOM 851 CA GLU A 463 69.530 1.899 8.362 1.00 0.00 C ATOM 852 C GLU A 463 69.018 2.642 9.601 1.00 0.00 C ATOM 853 O GLU A 463 68.144 2.170 10.300 1.00 0.00 O ATOM 854 CB GLU A 463 70.700 0.981 8.728 1.00 0.00 C ATOM 855 CG GLU A 463 71.836 1.806 9.338 1.00 0.00 C ATOM 856 CD GLU A 463 73.183 1.212 8.923 1.00 0.00 C ATOM 857 OE1 GLU A 463 73.408 0.047 9.208 1.00 0.00 O ATOM 858 OE2 GLU A 463 73.967 1.930 8.324 1.00 0.00 O ATOM 0 H GLU A 463 71.077 2.738 7.151 1.00 0.00 H new ATOM 0 HA GLU A 463 68.685 1.340 7.961 1.00 0.00 H new ATOM 0 HB2 GLU A 463 70.370 0.221 9.436 1.00 0.00 H new ATOM 0 HB3 GLU A 463 71.055 0.457 7.840 1.00 0.00 H new ATOM 0 HG2 GLU A 463 71.766 2.842 9.005 1.00 0.00 H new ATOM 0 HG3 GLU A 463 71.750 1.814 10.425 1.00 0.00 H new ATOM 865 N ARG A 464 69.558 3.799 9.877 1.00 0.00 N ATOM 866 CA ARG A 464 69.104 4.570 11.072 1.00 0.00 C ATOM 867 C ARG A 464 67.761 5.246 10.790 1.00 0.00 C ATOM 868 O ARG A 464 66.758 4.923 11.396 1.00 0.00 O ATOM 869 CB ARG A 464 70.194 5.618 11.308 1.00 0.00 C ATOM 870 CG ARG A 464 71.101 5.167 12.454 1.00 0.00 C ATOM 871 CD ARG A 464 72.336 6.069 12.516 1.00 0.00 C ATOM 872 NE ARG A 464 71.803 7.438 12.760 1.00 0.00 N ATOM 873 CZ ARG A 464 72.176 8.103 13.819 1.00 0.00 C ATOM 874 NH1 ARG A 464 72.127 7.539 14.994 1.00 0.00 N ATOM 875 NH2 ARG A 464 72.596 9.333 13.702 1.00 0.00 N ATOM 0 H ARG A 464 70.293 4.244 9.327 1.00 0.00 H new ATOM 0 HA ARG A 464 68.959 3.930 11.943 1.00 0.00 H new ATOM 0 HB2 ARG A 464 70.781 5.758 10.400 1.00 0.00 H new ATOM 0 HB3 ARG A 464 69.741 6.581 11.546 1.00 0.00 H new ATOM 0 HG2 ARG A 464 70.559 5.210 13.399 1.00 0.00 H new ATOM 0 HG3 ARG A 464 71.402 4.130 12.306 1.00 0.00 H new ATOM 0 HD2 ARG A 464 73.010 5.760 13.315 1.00 0.00 H new ATOM 0 HD3 ARG A 464 72.903 6.026 11.586 1.00 0.00 H new ATOM 0 HE ARG A 464 71.147 7.855 12.100 1.00 0.00 H new ATOM 0 HH11 ARG A 464 71.797 6.578 15.085 1.00 0.00 H new ATOM 0 HH12 ARG A 464 72.419 8.059 15.822 1.00 0.00 H new ATOM 0 HH21 ARG A 464 72.633 9.774 12.783 1.00 0.00 H new ATOM 0 HH22 ARG A 464 72.888 9.853 14.529 1.00 0.00 H new ATOM 889 N THR A 465 67.732 6.184 9.877 1.00 0.00 N ATOM 890 CA THR A 465 66.450 6.885 9.560 1.00 0.00 C ATOM 891 C THR A 465 65.323 5.868 9.356 1.00 0.00 C ATOM 892 O THR A 465 64.193 6.106 9.728 1.00 0.00 O ATOM 893 CB THR A 465 66.721 7.656 8.268 1.00 0.00 C ATOM 894 OG1 THR A 465 67.904 8.428 8.420 1.00 0.00 O ATOM 895 CG2 THR A 465 65.541 8.580 7.967 1.00 0.00 C ATOM 0 H THR A 465 68.540 6.495 9.338 1.00 0.00 H new ATOM 0 HA THR A 465 66.135 7.547 10.367 1.00 0.00 H new ATOM 0 HB THR A 465 66.848 6.954 7.444 1.00 0.00 H new ATOM 0 HG1 THR A 465 68.081 8.922 7.592 1.00 0.00 H new ATOM 0 HG21 THR A 465 65.735 9.129 7.046 1.00 0.00 H new ATOM 0 HG22 THR A 465 64.634 7.986 7.851 1.00 0.00 H new ATOM 0 HG23 THR A 465 65.411 9.284 8.789 1.00 0.00 H new ATOM 903 N LEU A 466 65.623 4.729 8.785 1.00 0.00 N ATOM 904 CA LEU A 466 64.562 3.699 8.585 1.00 0.00 C ATOM 905 C LEU A 466 64.063 3.231 9.953 1.00 0.00 C ATOM 906 O LEU A 466 62.881 3.055 10.169 1.00 0.00 O ATOM 907 CB LEU A 466 65.243 2.553 7.834 1.00 0.00 C ATOM 908 CG LEU A 466 64.321 2.046 6.723 1.00 0.00 C ATOM 909 CD1 LEU A 466 65.051 0.985 5.898 1.00 0.00 C ATOM 910 CD2 LEU A 466 63.064 1.431 7.344 1.00 0.00 C ATOM 0 H LEU A 466 66.551 4.470 8.451 1.00 0.00 H new ATOM 0 HA LEU A 466 63.704 4.076 8.029 1.00 0.00 H new ATOM 0 HB2 LEU A 466 66.187 2.894 7.409 1.00 0.00 H new ATOM 0 HB3 LEU A 466 65.478 1.742 8.523 1.00 0.00 H new ATOM 0 HG LEU A 466 64.039 2.878 6.078 1.00 0.00 H new ATOM 0 HD11 LEU A 466 64.394 0.624 5.107 1.00 0.00 H new ATOM 0 HD12 LEU A 466 65.947 1.421 5.455 1.00 0.00 H new ATOM 0 HD13 LEU A 466 65.333 0.153 6.543 1.00 0.00 H new ATOM 0 HD21 LEU A 466 62.407 1.070 6.553 1.00 0.00 H new ATOM 0 HD22 LEU A 466 63.347 0.599 7.989 1.00 0.00 H new ATOM 0 HD23 LEU A 466 62.542 2.186 7.933 1.00 0.00 H new ATOM 922 N ILE A 467 64.963 3.058 10.887 1.00 0.00 N ATOM 923 CA ILE A 467 64.547 2.634 12.254 1.00 0.00 C ATOM 924 C ILE A 467 63.771 3.785 12.891 1.00 0.00 C ATOM 925 O ILE A 467 62.708 3.609 13.453 1.00 0.00 O ATOM 926 CB ILE A 467 65.867 2.344 12.997 1.00 0.00 C ATOM 927 CG1 ILE A 467 65.745 1.012 13.741 1.00 0.00 C ATOM 928 CG2 ILE A 467 66.196 3.456 14.005 1.00 0.00 C ATOM 929 CD1 ILE A 467 67.120 0.587 14.255 1.00 0.00 C ATOM 0 H ILE A 467 65.966 3.192 10.761 1.00 0.00 H new ATOM 0 HA ILE A 467 63.900 1.757 12.273 1.00 0.00 H new ATOM 0 HB ILE A 467 66.670 2.298 12.262 1.00 0.00 H new ATOM 0 HG12 ILE A 467 65.048 1.111 14.574 1.00 0.00 H new ATOM 0 HG13 ILE A 467 65.341 0.248 13.077 1.00 0.00 H new ATOM 0 HG21 ILE A 467 67.132 3.222 14.512 1.00 0.00 H new ATOM 0 HG22 ILE A 467 66.296 4.406 13.479 1.00 0.00 H new ATOM 0 HG23 ILE A 467 65.394 3.530 14.739 1.00 0.00 H new ATOM 0 HD11 ILE A 467 67.033 -0.362 14.785 1.00 0.00 H new ATOM 0 HD12 ILE A 467 67.803 0.471 13.414 1.00 0.00 H new ATOM 0 HD13 ILE A 467 67.506 1.348 14.934 1.00 0.00 H new ATOM 941 N HIS A 468 64.304 4.969 12.778 1.00 0.00 N ATOM 942 CA HIS A 468 63.626 6.168 13.345 1.00 0.00 C ATOM 943 C HIS A 468 62.211 6.258 12.766 1.00 0.00 C ATOM 944 O HIS A 468 61.236 6.402 13.479 1.00 0.00 O ATOM 945 CB HIS A 468 64.506 7.344 12.883 1.00 0.00 C ATOM 946 CG HIS A 468 63.658 8.503 12.438 1.00 0.00 C ATOM 947 ND1 HIS A 468 63.390 9.591 13.254 1.00 0.00 N ATOM 948 CD2 HIS A 468 63.020 8.753 11.254 1.00 0.00 C ATOM 949 CE1 HIS A 468 62.617 10.441 12.552 1.00 0.00 C ATOM 950 NE2 HIS A 468 62.361 9.977 11.324 1.00 0.00 N ATOM 0 H HIS A 468 65.191 5.159 12.312 1.00 0.00 H new ATOM 0 HA HIS A 468 63.521 6.150 14.430 1.00 0.00 H new ATOM 0 HB2 HIS A 468 65.159 7.657 13.697 1.00 0.00 H new ATOM 0 HB3 HIS A 468 65.149 7.023 12.064 1.00 0.00 H new ATOM 0 HD2 HIS A 468 63.027 8.099 10.394 1.00 0.00 H new ATOM 0 HE1 HIS A 468 62.249 11.382 12.934 1.00 0.00 H new ATOM 0 HE2 HIS A 468 61.803 10.424 10.596 1.00 0.00 H new ATOM 958 N LEU A 469 62.110 6.167 11.472 1.00 0.00 N ATOM 959 CA LEU A 469 60.777 6.236 10.805 1.00 0.00 C ATOM 960 C LEU A 469 59.883 5.087 11.283 1.00 0.00 C ATOM 961 O LEU A 469 58.677 5.131 11.145 1.00 0.00 O ATOM 962 CB LEU A 469 61.080 6.102 9.308 1.00 0.00 C ATOM 963 CG LEU A 469 60.839 7.445 8.614 1.00 0.00 C ATOM 964 CD1 LEU A 469 61.630 7.496 7.304 1.00 0.00 C ATOM 965 CD2 LEU A 469 59.343 7.608 8.320 1.00 0.00 C ATOM 0 H LEU A 469 62.901 6.046 10.839 1.00 0.00 H new ATOM 0 HA LEU A 469 60.246 7.160 11.032 1.00 0.00 H new ATOM 0 HB2 LEU A 469 62.113 5.786 9.162 1.00 0.00 H new ATOM 0 HB3 LEU A 469 60.446 5.333 8.866 1.00 0.00 H new ATOM 0 HG LEU A 469 61.170 8.254 9.265 1.00 0.00 H new ATOM 0 HD11 LEU A 469 61.457 8.453 6.812 1.00 0.00 H new ATOM 0 HD12 LEU A 469 62.693 7.384 7.516 1.00 0.00 H new ATOM 0 HD13 LEU A 469 61.304 6.687 6.650 1.00 0.00 H new ATOM 0 HD21 LEU A 469 59.171 8.564 7.826 1.00 0.00 H new ATOM 0 HD22 LEU A 469 59.010 6.799 7.670 1.00 0.00 H new ATOM 0 HD23 LEU A 469 58.783 7.577 9.255 1.00 0.00 H new ATOM 977 N SER A 470 60.466 4.059 11.843 1.00 0.00 N ATOM 978 CA SER A 470 59.647 2.909 12.329 1.00 0.00 C ATOM 979 C SER A 470 59.303 3.085 13.812 1.00 0.00 C ATOM 980 O SER A 470 58.467 2.385 14.348 1.00 0.00 O ATOM 981 CB SER A 470 60.533 1.680 12.124 1.00 0.00 C ATOM 982 OG SER A 470 60.032 0.918 11.035 1.00 0.00 O ATOM 0 H SER A 470 61.472 3.966 11.985 1.00 0.00 H new ATOM 0 HA SER A 470 58.700 2.824 11.796 1.00 0.00 H new ATOM 0 HB2 SER A 470 61.560 1.987 11.926 1.00 0.00 H new ATOM 0 HB3 SER A 470 60.550 1.074 13.030 1.00 0.00 H new ATOM 0 HG SER A 470 60.598 0.130 10.899 1.00 0.00 H new ATOM 988 N GLU A 471 59.940 4.012 14.480 1.00 0.00 N ATOM 989 CA GLU A 471 59.643 4.225 15.928 1.00 0.00 C ATOM 990 C GLU A 471 58.297 4.936 16.094 1.00 0.00 C ATOM 991 O GLU A 471 57.627 4.789 17.097 1.00 0.00 O ATOM 992 CB GLU A 471 60.783 5.104 16.445 1.00 0.00 C ATOM 993 CG GLU A 471 61.769 4.248 17.244 1.00 0.00 C ATOM 994 CD GLU A 471 63.187 4.791 17.055 1.00 0.00 C ATOM 995 OE1 GLU A 471 63.422 5.925 17.441 1.00 0.00 O ATOM 996 OE2 GLU A 471 64.013 4.065 16.529 1.00 0.00 O ATOM 0 H GLU A 471 60.651 4.629 14.087 1.00 0.00 H new ATOM 0 HA GLU A 471 59.575 3.285 16.476 1.00 0.00 H new ATOM 0 HB2 GLU A 471 61.295 5.582 15.610 1.00 0.00 H new ATOM 0 HB3 GLU A 471 60.385 5.901 17.073 1.00 0.00 H new ATOM 0 HG2 GLU A 471 61.502 4.258 18.301 1.00 0.00 H new ATOM 0 HG3 GLU A 471 61.718 3.211 16.912 1.00 0.00 H new ATOM 1003 N GLY A 472 57.897 5.704 15.115 1.00 0.00 N ATOM 1004 CA GLY A 472 56.595 6.424 15.215 1.00 0.00 C ATOM 1005 C GLY A 472 55.859 6.337 13.877 1.00 0.00 C ATOM 1006 O GLY A 472 56.463 6.164 12.837 1.00 0.00 O ATOM 0 H GLY A 472 58.416 5.863 14.251 1.00 0.00 H new ATOM 0 HA2 GLY A 472 55.986 5.987 16.006 1.00 0.00 H new ATOM 0 HA3 GLY A 472 56.764 7.467 15.482 1.00 0.00 H new ATOM 1010 N SER A 473 54.558 6.453 13.897 1.00 0.00 N ATOM 1011 CA SER A 473 53.780 6.378 12.625 1.00 0.00 C ATOM 1012 C SER A 473 53.987 7.653 11.803 1.00 0.00 C ATOM 1013 O SER A 473 53.064 8.407 11.567 1.00 0.00 O ATOM 1014 CB SER A 473 52.320 6.248 13.058 1.00 0.00 C ATOM 1015 OG SER A 473 52.215 5.247 14.061 1.00 0.00 O ATOM 0 H SER A 473 54.000 6.596 14.739 1.00 0.00 H new ATOM 0 HA SER A 473 54.093 5.543 11.999 1.00 0.00 H new ATOM 0 HB2 SER A 473 51.956 7.202 13.440 1.00 0.00 H new ATOM 0 HB3 SER A 473 51.697 5.988 12.202 1.00 0.00 H new ATOM 0 HG SER A 473 51.280 5.162 14.342 1.00 0.00 H new ATOM 1021 N ASN A 474 55.194 7.897 11.367 1.00 0.00 N ATOM 1022 CA ASN A 474 55.465 9.122 10.561 1.00 0.00 C ATOM 1023 C ASN A 474 54.960 8.935 9.128 1.00 0.00 C ATOM 1024 O ASN A 474 54.790 7.826 8.660 1.00 0.00 O ATOM 1025 CB ASN A 474 56.985 9.283 10.578 1.00 0.00 C ATOM 1026 CG ASN A 474 57.393 10.181 11.747 1.00 0.00 C ATOM 1027 OD1 ASN A 474 56.735 10.204 12.768 1.00 0.00 O ATOM 1028 ND2 ASN A 474 58.457 10.928 11.640 1.00 0.00 N ATOM 0 H ASN A 474 56.004 7.300 11.534 1.00 0.00 H new ATOM 0 HA ASN A 474 54.960 10.000 10.964 1.00 0.00 H new ATOM 0 HB2 ASN A 474 57.463 8.308 10.671 1.00 0.00 H new ATOM 0 HB3 ASN A 474 57.325 9.716 9.637 1.00 0.00 H new ATOM 0 HD21 ASN A 474 58.736 11.531 12.414 1.00 0.00 H new ATOM 0 HD22 ASN A 474 59.010 10.909 10.783 1.00 0.00 H new ATOM 1035 N LYS A 475 54.721 10.011 8.429 1.00 0.00 N ATOM 1036 CA LYS A 475 54.228 9.898 7.025 1.00 0.00 C ATOM 1037 C LYS A 475 55.376 9.494 6.095 1.00 0.00 C ATOM 1038 O LYS A 475 55.888 10.299 5.343 1.00 0.00 O ATOM 1039 CB LYS A 475 53.712 11.294 6.668 1.00 0.00 C ATOM 1040 CG LYS A 475 52.182 11.280 6.623 1.00 0.00 C ATOM 1041 CD LYS A 475 51.676 12.550 5.933 1.00 0.00 C ATOM 1042 CE LYS A 475 51.201 13.554 6.987 1.00 0.00 C ATOM 1043 NZ LYS A 475 51.870 14.836 6.629 1.00 0.00 N ATOM 0 H LYS A 475 54.846 10.965 8.769 1.00 0.00 H new ATOM 0 HA LYS A 475 53.451 9.141 6.920 1.00 0.00 H new ATOM 0 HB2 LYS A 475 54.058 12.020 7.404 1.00 0.00 H new ATOM 0 HB3 LYS A 475 54.111 11.604 5.703 1.00 0.00 H new ATOM 0 HG2 LYS A 475 51.832 10.398 6.086 1.00 0.00 H new ATOM 0 HG3 LYS A 475 51.779 11.218 7.634 1.00 0.00 H new ATOM 0 HD2 LYS A 475 52.471 12.989 5.330 1.00 0.00 H new ATOM 0 HD3 LYS A 475 50.859 12.306 5.254 1.00 0.00 H new ATOM 0 HE2 LYS A 475 50.116 13.658 6.972 1.00 0.00 H new ATOM 0 HE3 LYS A 475 51.477 13.232 7.991 1.00 0.00 H new ATOM 0 HZ1 LYS A 475 51.593 15.574 7.308 1.00 0.00 H new ATOM 0 HZ2 LYS A 475 52.902 14.709 6.658 1.00 0.00 H new ATOM 0 HZ3 LYS A 475 51.583 15.122 5.671 1.00 0.00 H new ATOM 1057 N TYR A 476 55.780 8.251 6.140 1.00 0.00 N ATOM 1058 CA TYR A 476 56.895 7.797 5.256 1.00 0.00 C ATOM 1059 C TYR A 476 56.507 7.979 3.787 1.00 0.00 C ATOM 1060 O TYR A 476 55.662 7.276 3.266 1.00 0.00 O ATOM 1061 CB TYR A 476 57.085 6.314 5.581 1.00 0.00 C ATOM 1062 CG TYR A 476 58.480 5.888 5.188 1.00 0.00 C ATOM 1063 CD1 TYR A 476 58.881 5.953 3.848 1.00 0.00 C ATOM 1064 CD2 TYR A 476 59.375 5.432 6.164 1.00 0.00 C ATOM 1065 CE1 TYR A 476 60.173 5.560 3.483 1.00 0.00 C ATOM 1066 CE2 TYR A 476 60.668 5.039 5.799 1.00 0.00 C ATOM 1067 CZ TYR A 476 61.068 5.103 4.459 1.00 0.00 C ATOM 1068 OH TYR A 476 62.343 4.716 4.100 1.00 0.00 O ATOM 0 H TYR A 476 55.388 7.533 6.749 1.00 0.00 H new ATOM 0 HA TYR A 476 57.809 8.367 5.419 1.00 0.00 H new ATOM 0 HB2 TYR A 476 56.926 6.141 6.645 1.00 0.00 H new ATOM 0 HB3 TYR A 476 56.346 5.716 5.047 1.00 0.00 H new ATOM 0 HD1 TYR A 476 58.192 6.307 3.095 1.00 0.00 H new ATOM 0 HD2 TYR A 476 59.068 5.384 7.198 1.00 0.00 H new ATOM 0 HE1 TYR A 476 60.480 5.609 2.449 1.00 0.00 H new ATOM 0 HE2 TYR A 476 61.357 4.686 6.552 1.00 0.00 H new ATOM 0 HH TYR A 476 62.834 4.427 4.897 1.00 0.00 H new ATOM 1078 N TYR A 477 57.117 8.919 3.117 1.00 0.00 N ATOM 1079 CA TYR A 477 56.785 9.150 1.681 1.00 0.00 C ATOM 1080 C TYR A 477 57.942 8.694 0.789 1.00 0.00 C ATOM 1081 O TYR A 477 59.094 8.971 1.062 1.00 0.00 O ATOM 1082 CB TYR A 477 56.578 10.661 1.560 1.00 0.00 C ATOM 1083 CG TYR A 477 55.102 10.974 1.603 1.00 0.00 C ATOM 1084 CD1 TYR A 477 54.237 10.401 0.663 1.00 0.00 C ATOM 1085 CD2 TYR A 477 54.598 11.838 2.583 1.00 0.00 C ATOM 1086 CE1 TYR A 477 52.867 10.692 0.703 1.00 0.00 C ATOM 1087 CE2 TYR A 477 53.229 12.129 2.623 1.00 0.00 C ATOM 1088 CZ TYR A 477 52.364 11.556 1.683 1.00 0.00 C ATOM 1089 OH TYR A 477 51.015 11.843 1.723 1.00 0.00 O ATOM 0 H TYR A 477 57.831 9.537 3.502 1.00 0.00 H new ATOM 0 HA TYR A 477 55.904 8.591 1.367 1.00 0.00 H new ATOM 0 HB2 TYR A 477 57.093 11.175 2.372 1.00 0.00 H new ATOM 0 HB3 TYR A 477 57.010 11.024 0.628 1.00 0.00 H new ATOM 0 HD1 TYR A 477 54.626 9.735 -0.093 1.00 0.00 H new ATOM 0 HD2 TYR A 477 55.265 12.280 3.308 1.00 0.00 H new ATOM 0 HE1 TYR A 477 52.199 10.250 -0.022 1.00 0.00 H new ATOM 0 HE2 TYR A 477 52.840 12.795 3.379 1.00 0.00 H new ATOM 0 HH TYR A 477 50.502 11.027 1.545 1.00 0.00 H new ATOM 1099 N CYS A 478 57.643 8.000 -0.275 1.00 0.00 N ATOM 1100 CA CYS A 478 58.722 7.526 -1.191 1.00 0.00 C ATOM 1101 C CYS A 478 59.485 8.733 -1.760 1.00 0.00 C ATOM 1102 O CYS A 478 59.380 9.833 -1.255 1.00 0.00 O ATOM 1103 CB CYS A 478 57.989 6.733 -2.291 1.00 0.00 C ATOM 1104 SG CYS A 478 57.429 7.838 -3.612 1.00 0.00 S ATOM 0 H CYS A 478 56.696 7.740 -0.551 1.00 0.00 H new ATOM 0 HA CYS A 478 59.465 6.903 -0.693 1.00 0.00 H new ATOM 0 HB2 CYS A 478 58.654 5.974 -2.703 1.00 0.00 H new ATOM 0 HB3 CYS A 478 57.135 6.210 -1.861 1.00 0.00 H new ATOM 1109 N ASN A 479 60.251 8.539 -2.801 1.00 0.00 N ATOM 1110 CA ASN A 479 61.015 9.681 -3.387 1.00 0.00 C ATOM 1111 C ASN A 479 60.172 10.409 -4.440 1.00 0.00 C ATOM 1112 O ASN A 479 60.212 11.620 -4.550 1.00 0.00 O ATOM 1113 CB ASN A 479 62.248 9.045 -4.033 1.00 0.00 C ATOM 1114 CG ASN A 479 63.124 10.133 -4.660 1.00 0.00 C ATOM 1115 OD1 ASN A 479 62.755 11.292 -4.682 1.00 0.00 O ATOM 1116 ND2 ASN A 479 64.277 9.807 -5.176 1.00 0.00 N ATOM 0 H ASN A 479 60.381 7.643 -3.270 1.00 0.00 H new ATOM 0 HA ASN A 479 61.284 10.422 -2.634 1.00 0.00 H new ATOM 0 HB2 ASN A 479 62.817 8.493 -3.286 1.00 0.00 H new ATOM 0 HB3 ASN A 479 61.942 8.328 -4.795 1.00 0.00 H new ATOM 0 HD21 ASN A 479 64.868 10.524 -5.597 1.00 0.00 H new ATOM 0 HD22 ASN A 479 64.587 8.836 -5.158 1.00 0.00 H new ATOM 1123 N GLU A 480 59.415 9.683 -5.218 1.00 0.00 N ATOM 1124 CA GLU A 480 58.576 10.333 -6.269 1.00 0.00 C ATOM 1125 C GLU A 480 57.303 10.944 -5.665 1.00 0.00 C ATOM 1126 O GLU A 480 56.474 11.484 -6.373 1.00 0.00 O ATOM 1127 CB GLU A 480 58.216 9.206 -7.239 1.00 0.00 C ATOM 1128 CG GLU A 480 58.270 9.730 -8.676 1.00 0.00 C ATOM 1129 CD GLU A 480 57.558 8.743 -9.605 1.00 0.00 C ATOM 1130 OE1 GLU A 480 57.739 7.551 -9.421 1.00 0.00 O ATOM 1131 OE2 GLU A 480 56.846 9.198 -10.486 1.00 0.00 O ATOM 0 H GLU A 480 59.341 8.667 -5.172 1.00 0.00 H new ATOM 0 HA GLU A 480 59.107 11.150 -6.758 1.00 0.00 H new ATOM 0 HB2 GLU A 480 58.909 8.373 -7.118 1.00 0.00 H new ATOM 0 HB3 GLU A 480 57.219 8.826 -7.017 1.00 0.00 H new ATOM 0 HG2 GLU A 480 57.795 10.709 -8.736 1.00 0.00 H new ATOM 0 HG3 GLU A 480 59.306 9.858 -8.989 1.00 0.00 H new ATOM 1138 N HIS A 481 57.135 10.867 -4.370 1.00 0.00 N ATOM 1139 CA HIS A 481 55.914 11.449 -3.741 1.00 0.00 C ATOM 1140 C HIS A 481 56.285 12.218 -2.472 1.00 0.00 C ATOM 1141 O HIS A 481 55.497 12.336 -1.554 1.00 0.00 O ATOM 1142 CB HIS A 481 55.033 10.247 -3.400 1.00 0.00 C ATOM 1143 CG HIS A 481 54.623 9.548 -4.666 1.00 0.00 C ATOM 1144 ND1 HIS A 481 54.685 8.156 -4.803 1.00 0.00 N ATOM 1145 CD2 HIS A 481 54.150 10.026 -5.869 1.00 0.00 C ATOM 1146 CE1 HIS A 481 54.264 7.848 -6.046 1.00 0.00 C ATOM 1147 NE2 HIS A 481 53.935 8.949 -6.707 1.00 0.00 N ATOM 0 H HIS A 481 57.789 10.427 -3.723 1.00 0.00 H new ATOM 0 HA HIS A 481 55.407 12.153 -4.401 1.00 0.00 H new ATOM 0 HB2 HIS A 481 55.575 9.559 -2.751 1.00 0.00 H new ATOM 0 HB3 HIS A 481 54.150 10.574 -2.851 1.00 0.00 H new ATOM 0 HD2 HIS A 481 53.977 11.064 -6.114 1.00 0.00 H new ATOM 0 HE1 HIS A 481 54.203 6.847 -6.446 1.00 0.00 H new ATOM 0 HE2 HIS A 481 53.585 8.993 -7.664 1.00 0.00 H new ATOM 1155 N VAL A 482 57.480 12.739 -2.411 1.00 0.00 N ATOM 1156 CA VAL A 482 57.905 13.498 -1.199 1.00 0.00 C ATOM 1157 C VAL A 482 57.545 14.976 -1.342 1.00 0.00 C ATOM 1158 O VAL A 482 57.337 15.675 -0.370 1.00 0.00 O ATOM 1159 CB VAL A 482 59.422 13.310 -1.126 1.00 0.00 C ATOM 1160 CG1 VAL A 482 60.102 14.069 -2.270 1.00 0.00 C ATOM 1161 CG2 VAL A 482 59.937 13.841 0.213 1.00 0.00 C ATOM 0 H VAL A 482 58.182 12.672 -3.148 1.00 0.00 H new ATOM 0 HA VAL A 482 57.409 13.144 -0.295 1.00 0.00 H new ATOM 0 HB VAL A 482 59.654 12.249 -1.215 1.00 0.00 H new ATOM 0 HG11 VAL A 482 61.181 13.929 -2.209 1.00 0.00 H new ATOM 0 HG12 VAL A 482 59.740 13.688 -3.225 1.00 0.00 H new ATOM 0 HG13 VAL A 482 59.869 15.131 -2.191 1.00 0.00 H new ATOM 0 HG21 VAL A 482 61.017 13.708 0.266 1.00 0.00 H new ATOM 0 HG22 VAL A 482 59.698 14.901 0.301 1.00 0.00 H new ATOM 0 HG23 VAL A 482 59.463 13.294 1.028 1.00 0.00 H new ATOM 1171 N GLN A 483 57.478 15.451 -2.550 1.00 0.00 N ATOM 1172 CA GLN A 483 57.140 16.886 -2.775 1.00 0.00 C ATOM 1173 C GLN A 483 56.062 17.027 -3.853 1.00 0.00 C ATOM 1174 O GLN A 483 54.987 17.534 -3.604 1.00 0.00 O ATOM 1175 CB GLN A 483 58.446 17.530 -3.240 1.00 0.00 C ATOM 1176 CG GLN A 483 58.434 19.019 -2.891 1.00 0.00 C ATOM 1177 CD GLN A 483 58.605 19.191 -1.381 1.00 0.00 C ATOM 1178 OE1 GLN A 483 59.713 19.224 -0.882 1.00 0.00 O ATOM 1179 NE2 GLN A 483 57.546 19.303 -0.626 1.00 0.00 N ATOM 0 H GLN A 483 57.643 14.908 -3.397 1.00 0.00 H new ATOM 0 HA GLN A 483 56.744 17.357 -1.875 1.00 0.00 H new ATOM 0 HB2 GLN A 483 59.295 17.041 -2.763 1.00 0.00 H new ATOM 0 HB3 GLN A 483 58.566 17.399 -4.315 1.00 0.00 H new ATOM 0 HG2 GLN A 483 59.237 19.534 -3.419 1.00 0.00 H new ATOM 0 HG3 GLN A 483 57.497 19.472 -3.215 1.00 0.00 H new ATOM 0 HE21 GLN A 483 56.616 19.275 -1.044 1.00 0.00 H new ATOM 0 HE22 GLN A 483 57.648 19.418 0.382 1.00 0.00 H new ATOM 1188 N ILE A 484 56.352 16.590 -5.050 1.00 0.00 N ATOM 1189 CA ILE A 484 55.357 16.700 -6.165 1.00 0.00 C ATOM 1190 C ILE A 484 54.934 18.164 -6.350 1.00 0.00 C ATOM 1191 O ILE A 484 55.221 19.010 -5.526 1.00 0.00 O ATOM 1192 CB ILE A 484 54.164 15.839 -5.739 1.00 0.00 C ATOM 1193 CG1 ILE A 484 54.629 14.402 -5.490 1.00 0.00 C ATOM 1194 CG2 ILE A 484 53.109 15.841 -6.848 1.00 0.00 C ATOM 1195 CD1 ILE A 484 53.508 13.612 -4.808 1.00 0.00 C ATOM 0 H ILE A 484 57.240 16.159 -5.308 1.00 0.00 H new ATOM 0 HA ILE A 484 55.769 16.364 -7.117 1.00 0.00 H new ATOM 0 HB ILE A 484 53.735 16.248 -4.824 1.00 0.00 H new ATOM 0 HG12 ILE A 484 54.900 13.928 -6.433 1.00 0.00 H new ATOM 0 HG13 ILE A 484 55.522 14.401 -4.864 1.00 0.00 H new ATOM 0 HG21 ILE A 484 52.260 15.228 -6.544 1.00 0.00 H new ATOM 0 HG22 ILE A 484 52.773 16.862 -7.029 1.00 0.00 H new ATOM 0 HG23 ILE A 484 53.541 15.434 -7.762 1.00 0.00 H new ATOM 0 HD11 ILE A 484 53.840 12.589 -4.631 1.00 0.00 H new ATOM 0 HD12 ILE A 484 53.258 14.082 -3.857 1.00 0.00 H new ATOM 0 HD13 ILE A 484 52.627 13.602 -5.450 1.00 0.00 H new ATOM 1207 N ALA A 485 54.260 18.470 -7.427 1.00 0.00 N ATOM 1208 CA ALA A 485 53.828 19.879 -7.660 1.00 0.00 C ATOM 1209 C ALA A 485 52.371 19.922 -8.130 1.00 0.00 C ATOM 1210 O ALA A 485 51.889 19.012 -8.775 1.00 0.00 O ATOM 1211 CB ALA A 485 54.760 20.403 -8.752 1.00 0.00 C ATOM 0 H ALA A 485 53.991 17.807 -8.154 1.00 0.00 H new ATOM 0 HA ALA A 485 53.883 20.480 -6.753 1.00 0.00 H new ATOM 0 HB1 ALA A 485 54.506 21.438 -8.981 1.00 0.00 H new ATOM 0 HB2 ALA A 485 55.792 20.351 -8.405 1.00 0.00 H new ATOM 0 HB3 ALA A 485 54.648 19.794 -9.649 1.00 0.00 H new ATOM 1217 N ARG A 486 51.669 20.978 -7.810 1.00 0.00 N ATOM 1218 CA ARG A 486 50.244 21.088 -8.237 1.00 0.00 C ATOM 1219 C ARG A 486 50.020 22.403 -8.989 1.00 0.00 C ATOM 1220 O ARG A 486 49.577 22.414 -10.120 1.00 0.00 O ATOM 1221 CB ARG A 486 49.437 21.070 -6.939 1.00 0.00 C ATOM 1222 CG ARG A 486 48.001 20.621 -7.232 1.00 0.00 C ATOM 1223 CD ARG A 486 47.014 21.582 -6.563 1.00 0.00 C ATOM 1224 NE ARG A 486 45.669 21.107 -6.986 1.00 0.00 N ATOM 1225 CZ ARG A 486 44.691 21.059 -6.123 1.00 0.00 C ATOM 1226 NH1 ARG A 486 44.442 22.090 -5.362 1.00 0.00 N ATOM 1227 NH2 ARG A 486 43.965 19.980 -6.018 1.00 0.00 N ATOM 0 H ARG A 486 52.022 21.769 -7.271 1.00 0.00 H new ATOM 0 HA ARG A 486 49.951 20.281 -8.909 1.00 0.00 H new ATOM 0 HB2 ARG A 486 49.900 20.394 -6.220 1.00 0.00 H new ATOM 0 HB3 ARG A 486 49.434 22.062 -6.487 1.00 0.00 H new ATOM 0 HG2 ARG A 486 47.829 20.598 -8.308 1.00 0.00 H new ATOM 0 HG3 ARG A 486 47.844 19.608 -6.863 1.00 0.00 H new ATOM 0 HD2 ARG A 486 47.117 21.562 -5.478 1.00 0.00 H new ATOM 0 HD3 ARG A 486 47.187 22.610 -6.880 1.00 0.00 H new ATOM 0 HE ARG A 486 45.511 20.819 -7.952 1.00 0.00 H new ATOM 0 HH11 ARG A 486 45.012 22.932 -5.442 1.00 0.00 H new ATOM 0 HH12 ARG A 486 43.678 22.053 -4.687 1.00 0.00 H new ATOM 0 HH21 ARG A 486 44.162 19.173 -6.611 1.00 0.00 H new ATOM 0 HH22 ARG A 486 43.201 19.943 -5.343 1.00 0.00 H new ATOM 1241 N ALA A 487 50.323 23.513 -8.366 1.00 0.00 N ATOM 1242 CA ALA A 487 50.132 24.835 -9.037 1.00 0.00 C ATOM 1243 C ALA A 487 48.706 24.957 -9.584 1.00 0.00 C ATOM 1244 O ALA A 487 48.487 25.810 -10.429 1.00 0.00 O ATOM 1245 CB ALA A 487 51.149 24.854 -10.180 1.00 0.00 C ATOM 1246 OXT ALA A 487 47.859 24.196 -9.148 1.00 0.00 O ATOM 0 H ALA A 487 50.696 23.561 -7.418 1.00 0.00 H new ATOM 0 HA ALA A 487 50.277 25.668 -8.349 1.00 0.00 H new ATOM 0 HB1 ALA A 487 51.070 25.796 -10.722 1.00 0.00 H new ATOM 0 HB2 ALA A 487 52.155 24.753 -9.773 1.00 0.00 H new ATOM 0 HB3 ALA A 487 50.947 24.026 -10.860 1.00 0.00 H new TER 1252 ALA A 487 HETATM 1253 ZN ZN A 488 64.279 0.166 -5.208 1.00 0.00 ZN HETATM 1254 ZN ZN A 489 55.336 6.802 -3.415 1.00 0.00 ZN