USER MOD reduce.3.24.130724 H: found=0, std=0, add=595, rem=0, adj=18 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 180:sc= -1.63 USER MOD Set 1.2: A 459 MET CE :methyl -147:sc= -2.44 (180deg=-2.08) USER MOD Single : A 410 SER OG : rot -118:sc= 0.0432 USER MOD Single : A 415 TYR OH : rot -49:sc= 0.0332 USER MOD Single : A 418 THR OG1 : rot 180:sc= 0.0387 USER MOD Single : A 422 THR OG1 : rot 180:sc= 0 USER MOD Single : A 428 ASN : amide:sc= 0 X(o=0,f=-0.041) USER MOD Single : A 429 THR OG1 : rot 180:sc= 0 USER MOD Single : A 434 TYR OH : rot 180:sc= -0.661 USER MOD Single : A 435 SER OG : rot 180:sc= 0 USER MOD Single : A 436 THR OG1 : rot 180:sc= 0.0722 USER MOD Single : A 439 ASN : amide:sc= -6.12! C(o=-6.1!,f=-14!) USER MOD Single : A 440 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 443 MET CE :methyl -136:sc= -3.5 (180deg=-6.05!) USER MOD Single : A 445 TYR OH : rot 180:sc= 0 USER MOD Single : A 447 SER OG : rot 180:sc= 0 USER MOD Single : A 448 HIS : no HD1:sc= -5.18! C(o=-5.2!,f=-7.4!) USER MOD Single : A 457 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 465 THR OG1 : rot 180:sc= 0.0381 USER MOD Single : A 468 HIS : no HD1:sc= -2.34! K(o=-2.3!,f=-1) USER MOD Single : A 470 SER OG : rot 180:sc= 0 USER MOD Single : A 473 SER OG : rot 65:sc= 0.864 USER MOD Single : A 474 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 475 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 476 TYR OH : rot 180:sc= -0.997 USER MOD Single : A 477 TYR OH : rot 180:sc= 0 USER MOD Single : A 479 ASN : amide:sc= -1.37 K(o=-1.4,f=-3!) USER MOD Single : A 483 GLN : amide:sc= -0.131 K(o=-0.13,f=-1.9!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 406 58.403 -27.369 -1.153 1.00 0.00 N ATOM 2 CA GLY A 406 59.162 -26.467 -2.064 1.00 0.00 C ATOM 3 C GLY A 406 58.487 -25.092 -2.102 1.00 0.00 C ATOM 4 O GLY A 406 57.317 -24.970 -1.802 1.00 0.00 O ATOM 0 HA2 GLY A 406 60.192 -26.369 -1.721 1.00 0.00 H new ATOM 0 HA3 GLY A 406 59.200 -26.893 -3.067 1.00 0.00 H new ATOM 10 N PRO A 407 59.252 -24.096 -2.474 1.00 0.00 N ATOM 11 CA PRO A 407 58.714 -22.715 -2.551 1.00 0.00 C ATOM 12 C PRO A 407 57.781 -22.571 -3.756 1.00 0.00 C ATOM 13 O PRO A 407 57.698 -23.446 -4.596 1.00 0.00 O ATOM 14 CB PRO A 407 59.961 -21.853 -2.723 1.00 0.00 C ATOM 15 CG PRO A 407 60.981 -22.763 -3.331 1.00 0.00 C ATOM 16 CD PRO A 407 60.670 -24.157 -2.853 1.00 0.00 C ATOM 0 HA PRO A 407 58.126 -22.435 -1.677 1.00 0.00 H new ATOM 0 HB2 PRO A 407 59.763 -20.996 -3.367 1.00 0.00 H new ATOM 0 HB3 PRO A 407 60.304 -21.460 -1.766 1.00 0.00 H new ATOM 0 HG2 PRO A 407 60.944 -22.711 -4.419 1.00 0.00 H new ATOM 0 HG3 PRO A 407 61.987 -22.469 -3.032 1.00 0.00 H new ATOM 0 HD2 PRO A 407 60.842 -24.895 -3.636 1.00 0.00 H new ATOM 0 HD3 PRO A 407 61.297 -24.438 -2.007 1.00 0.00 H new ATOM 24 N LEU A 408 57.078 -21.475 -3.845 1.00 0.00 N ATOM 25 CA LEU A 408 56.149 -21.270 -4.994 1.00 0.00 C ATOM 26 C LEU A 408 56.618 -20.093 -5.852 1.00 0.00 C ATOM 27 O LEU A 408 56.407 -20.062 -7.049 1.00 0.00 O ATOM 28 CB LEU A 408 54.793 -20.963 -4.355 1.00 0.00 C ATOM 29 CG LEU A 408 54.082 -22.272 -4.008 1.00 0.00 C ATOM 30 CD1 LEU A 408 53.330 -22.110 -2.685 1.00 0.00 C ATOM 31 CD2 LEU A 408 53.088 -22.623 -5.117 1.00 0.00 C ATOM 0 H LEU A 408 57.107 -20.711 -3.170 1.00 0.00 H new ATOM 0 HA LEU A 408 56.104 -22.140 -5.649 1.00 0.00 H new ATOM 0 HB2 LEU A 408 54.931 -20.363 -3.456 1.00 0.00 H new ATOM 0 HB3 LEU A 408 54.181 -20.376 -5.040 1.00 0.00 H new ATOM 0 HG LEU A 408 54.819 -23.070 -3.913 1.00 0.00 H new ATOM 0 HD11 LEU A 408 52.823 -23.043 -2.438 1.00 0.00 H new ATOM 0 HD12 LEU A 408 54.036 -21.860 -1.893 1.00 0.00 H new ATOM 0 HD13 LEU A 408 52.594 -21.312 -2.780 1.00 0.00 H new ATOM 0 HD21 LEU A 408 52.581 -23.556 -4.870 1.00 0.00 H new ATOM 0 HD22 LEU A 408 52.352 -21.825 -5.212 1.00 0.00 H new ATOM 0 HD23 LEU A 408 53.621 -22.739 -6.060 1.00 0.00 H new ATOM 43 N GLY A 409 57.250 -19.122 -5.250 1.00 0.00 N ATOM 44 CA GLY A 409 57.733 -17.944 -6.027 1.00 0.00 C ATOM 45 C GLY A 409 57.136 -16.655 -5.451 1.00 0.00 C ATOM 46 O GLY A 409 57.476 -15.567 -5.870 1.00 0.00 O ATOM 0 H GLY A 409 57.453 -19.094 -4.251 1.00 0.00 H new ATOM 0 HA2 GLY A 409 58.821 -17.897 -5.993 1.00 0.00 H new ATOM 0 HA3 GLY A 409 57.451 -18.049 -7.075 1.00 0.00 H new ATOM 50 N SER A 410 56.248 -16.765 -4.492 1.00 0.00 N ATOM 51 CA SER A 410 55.631 -15.544 -3.891 1.00 0.00 C ATOM 52 C SER A 410 55.039 -14.649 -4.988 1.00 0.00 C ATOM 53 O SER A 410 55.596 -13.621 -5.317 1.00 0.00 O ATOM 54 CB SER A 410 56.775 -14.828 -3.170 1.00 0.00 C ATOM 55 OG SER A 410 56.657 -15.047 -1.771 1.00 0.00 O ATOM 0 H SER A 410 55.925 -17.649 -4.100 1.00 0.00 H new ATOM 0 HA SER A 410 54.815 -15.790 -3.211 1.00 0.00 H new ATOM 0 HB2 SER A 410 57.735 -15.199 -3.528 1.00 0.00 H new ATOM 0 HB3 SER A 410 56.745 -13.760 -3.387 1.00 0.00 H new ATOM 0 HG SER A 410 56.524 -14.189 -1.316 1.00 0.00 H new ATOM 61 N PRO A 411 53.920 -15.074 -5.524 1.00 0.00 N ATOM 62 CA PRO A 411 53.250 -14.298 -6.596 1.00 0.00 C ATOM 63 C PRO A 411 52.595 -13.039 -6.020 1.00 0.00 C ATOM 64 O PRO A 411 52.412 -12.054 -6.708 1.00 0.00 O ATOM 65 CB PRO A 411 52.196 -15.264 -7.132 1.00 0.00 C ATOM 66 CG PRO A 411 51.921 -16.204 -6.001 1.00 0.00 C ATOM 67 CD PRO A 411 53.185 -16.300 -5.186 1.00 0.00 C ATOM 0 HA PRO A 411 53.938 -13.953 -7.368 1.00 0.00 H new ATOM 0 HB2 PRO A 411 51.292 -14.734 -7.434 1.00 0.00 H new ATOM 0 HB3 PRO A 411 52.560 -15.798 -8.010 1.00 0.00 H new ATOM 0 HG2 PRO A 411 51.095 -15.840 -5.390 1.00 0.00 H new ATOM 0 HG3 PRO A 411 51.630 -17.185 -6.377 1.00 0.00 H new ATOM 0 HD2 PRO A 411 52.969 -16.354 -4.119 1.00 0.00 H new ATOM 0 HD3 PRO A 411 53.758 -17.192 -5.441 1.00 0.00 H new ATOM 75 N GLU A 412 52.238 -13.064 -4.762 1.00 0.00 N ATOM 76 CA GLU A 412 51.593 -11.869 -4.142 1.00 0.00 C ATOM 77 C GLU A 412 52.526 -10.657 -4.227 1.00 0.00 C ATOM 78 O GLU A 412 52.214 -9.665 -4.858 1.00 0.00 O ATOM 79 CB GLU A 412 51.351 -12.257 -2.682 1.00 0.00 C ATOM 80 CG GLU A 412 49.902 -12.714 -2.507 1.00 0.00 C ATOM 81 CD GLU A 412 49.455 -12.453 -1.068 1.00 0.00 C ATOM 82 OE1 GLU A 412 50.093 -12.970 -0.167 1.00 0.00 O ATOM 83 OE2 GLU A 412 48.480 -11.739 -0.892 1.00 0.00 O ATOM 0 H GLU A 412 52.365 -13.860 -4.138 1.00 0.00 H new ATOM 0 HA GLU A 412 50.668 -11.594 -4.649 1.00 0.00 H new ATOM 0 HB2 GLU A 412 52.033 -13.056 -2.389 1.00 0.00 H new ATOM 0 HB3 GLU A 412 51.556 -11.408 -2.030 1.00 0.00 H new ATOM 0 HG2 GLU A 412 49.255 -12.180 -3.203 1.00 0.00 H new ATOM 0 HG3 GLU A 412 49.814 -13.775 -2.740 1.00 0.00 H new ATOM 90 N PHE A 413 53.668 -10.730 -3.597 1.00 0.00 N ATOM 91 CA PHE A 413 54.622 -9.582 -3.641 1.00 0.00 C ATOM 92 C PHE A 413 55.996 -10.054 -4.127 1.00 0.00 C ATOM 93 O PHE A 413 56.126 -11.111 -4.713 1.00 0.00 O ATOM 94 CB PHE A 413 54.700 -9.071 -2.199 1.00 0.00 C ATOM 95 CG PHE A 413 55.188 -10.176 -1.290 1.00 0.00 C ATOM 96 CD1 PHE A 413 56.560 -10.337 -1.057 1.00 0.00 C ATOM 97 CD2 PHE A 413 54.270 -11.039 -0.680 1.00 0.00 C ATOM 98 CE1 PHE A 413 57.013 -11.359 -0.216 1.00 0.00 C ATOM 99 CE2 PHE A 413 54.722 -12.062 0.161 1.00 0.00 C ATOM 100 CZ PHE A 413 56.093 -12.222 0.394 1.00 0.00 C ATOM 0 H PHE A 413 53.982 -11.534 -3.054 1.00 0.00 H new ATOM 0 HA PHE A 413 54.297 -8.801 -4.328 1.00 0.00 H new ATOM 0 HB2 PHE A 413 55.374 -8.216 -2.142 1.00 0.00 H new ATOM 0 HB3 PHE A 413 53.719 -8.725 -1.872 1.00 0.00 H new ATOM 0 HD1 PHE A 413 57.269 -9.671 -1.527 1.00 0.00 H new ATOM 0 HD2 PHE A 413 53.212 -10.915 -0.859 1.00 0.00 H new ATOM 0 HE1 PHE A 413 58.071 -11.483 -0.037 1.00 0.00 H new ATOM 0 HE2 PHE A 413 54.013 -12.728 0.630 1.00 0.00 H new ATOM 0 HZ PHE A 413 56.442 -13.011 1.044 1.00 0.00 H new ATOM 110 N GLY A 414 57.019 -9.278 -3.889 1.00 0.00 N ATOM 111 CA GLY A 414 58.383 -9.681 -4.336 1.00 0.00 C ATOM 112 C GLY A 414 59.429 -8.826 -3.621 1.00 0.00 C ATOM 113 O GLY A 414 59.278 -8.480 -2.465 1.00 0.00 O ATOM 0 H GLY A 414 56.969 -8.382 -3.404 1.00 0.00 H new ATOM 0 HA2 GLY A 414 58.551 -10.736 -4.120 1.00 0.00 H new ATOM 0 HA3 GLY A 414 58.474 -9.559 -5.415 1.00 0.00 H new ATOM 117 N TYR A 415 60.492 -8.483 -4.299 1.00 0.00 N ATOM 118 CA TYR A 415 61.553 -7.650 -3.665 1.00 0.00 C ATOM 119 C TYR A 415 62.548 -7.175 -4.726 1.00 0.00 C ATOM 120 O TYR A 415 62.960 -6.032 -4.740 1.00 0.00 O ATOM 121 CB TYR A 415 62.238 -8.578 -2.656 1.00 0.00 C ATOM 122 CG TYR A 415 61.955 -8.097 -1.251 1.00 0.00 C ATOM 123 CD1 TYR A 415 62.063 -6.737 -0.946 1.00 0.00 C ATOM 124 CD2 TYR A 415 61.586 -9.012 -0.258 1.00 0.00 C ATOM 125 CE1 TYR A 415 61.800 -6.288 0.352 1.00 0.00 C ATOM 126 CE2 TYR A 415 61.323 -8.563 1.042 1.00 0.00 C ATOM 127 CZ TYR A 415 61.430 -7.201 1.348 1.00 0.00 C ATOM 128 OH TYR A 415 61.170 -6.758 2.628 1.00 0.00 O ATOM 0 H TYR A 415 60.671 -8.745 -5.268 1.00 0.00 H new ATOM 0 HA TYR A 415 61.151 -6.758 -3.184 1.00 0.00 H new ATOM 0 HB2 TYR A 415 61.876 -9.599 -2.782 1.00 0.00 H new ATOM 0 HB3 TYR A 415 63.313 -8.596 -2.835 1.00 0.00 H new ATOM 0 HD1 TYR A 415 62.350 -6.033 -1.713 1.00 0.00 H new ATOM 0 HD2 TYR A 415 61.504 -10.063 -0.494 1.00 0.00 H new ATOM 0 HE1 TYR A 415 61.882 -5.237 0.587 1.00 0.00 H new ATOM 0 HE2 TYR A 415 61.037 -9.268 1.809 1.00 0.00 H new ATOM 0 HH TYR A 415 61.896 -6.171 2.925 1.00 0.00 H new ATOM 138 N TRP A 416 62.929 -8.047 -5.618 1.00 0.00 N ATOM 139 CA TRP A 416 63.891 -7.658 -6.690 1.00 0.00 C ATOM 140 C TRP A 416 63.140 -6.928 -7.806 1.00 0.00 C ATOM 141 O TRP A 416 63.129 -7.355 -8.944 1.00 0.00 O ATOM 142 CB TRP A 416 64.467 -8.983 -7.197 1.00 0.00 C ATOM 143 CG TRP A 416 65.063 -9.728 -6.047 1.00 0.00 C ATOM 144 CD1 TRP A 416 64.694 -10.964 -5.640 1.00 0.00 C ATOM 145 CD2 TRP A 416 66.118 -9.297 -5.146 1.00 0.00 C ATOM 146 NE1 TRP A 416 65.458 -11.317 -4.541 1.00 0.00 N ATOM 147 CE2 TRP A 416 66.352 -10.320 -4.200 1.00 0.00 C ATOM 148 CE3 TRP A 416 66.887 -8.125 -5.062 1.00 0.00 C ATOM 149 CZ2 TRP A 416 67.318 -10.184 -3.201 1.00 0.00 C ATOM 150 CZ3 TRP A 416 67.858 -7.983 -4.062 1.00 0.00 C ATOM 151 CH2 TRP A 416 68.075 -9.010 -3.133 1.00 0.00 C ATOM 0 H TRP A 416 62.615 -9.017 -5.652 1.00 0.00 H new ATOM 0 HA TRP A 416 64.675 -6.988 -6.337 1.00 0.00 H new ATOM 0 HB2 TRP A 416 63.684 -9.579 -7.666 1.00 0.00 H new ATOM 0 HB3 TRP A 416 65.225 -8.797 -7.958 1.00 0.00 H new ATOM 0 HD1 TRP A 416 63.929 -11.575 -6.097 1.00 0.00 H new ATOM 0 HE1 TRP A 416 65.372 -12.204 -4.044 1.00 0.00 H new ATOM 0 HE3 TRP A 416 66.729 -7.328 -5.773 1.00 0.00 H new ATOM 0 HZ2 TRP A 416 67.479 -10.978 -2.487 1.00 0.00 H new ATOM 0 HZ3 TRP A 416 68.443 -7.077 -4.007 1.00 0.00 H new ATOM 0 HH2 TRP A 416 68.826 -8.895 -2.365 1.00 0.00 H new ATOM 162 N ILE A 417 62.493 -5.840 -7.480 1.00 0.00 N ATOM 163 CA ILE A 417 61.717 -5.090 -8.512 1.00 0.00 C ATOM 164 C ILE A 417 62.263 -3.669 -8.676 1.00 0.00 C ATOM 165 O ILE A 417 63.384 -3.374 -8.312 1.00 0.00 O ATOM 166 CB ILE A 417 60.284 -5.055 -7.972 1.00 0.00 C ATOM 167 CG1 ILE A 417 60.233 -4.226 -6.680 1.00 0.00 C ATOM 168 CG2 ILE A 417 59.820 -6.481 -7.673 1.00 0.00 C ATOM 169 CD1 ILE A 417 59.334 -3.005 -6.889 1.00 0.00 C ATOM 0 H ILE A 417 62.468 -5.438 -6.543 1.00 0.00 H new ATOM 0 HA ILE A 417 61.779 -5.560 -9.493 1.00 0.00 H new ATOM 0 HB ILE A 417 59.631 -4.602 -8.718 1.00 0.00 H new ATOM 0 HG12 ILE A 417 59.852 -4.835 -5.860 1.00 0.00 H new ATOM 0 HG13 ILE A 417 61.237 -3.907 -6.400 1.00 0.00 H new ATOM 0 HG21 ILE A 417 58.800 -6.459 -7.288 1.00 0.00 H new ATOM 0 HG22 ILE A 417 59.850 -7.073 -8.588 1.00 0.00 H new ATOM 0 HG23 ILE A 417 60.479 -6.929 -6.929 1.00 0.00 H new ATOM 0 HD11 ILE A 417 59.299 -2.418 -5.971 1.00 0.00 H new ATOM 0 HD12 ILE A 417 59.734 -2.392 -7.697 1.00 0.00 H new ATOM 0 HD13 ILE A 417 58.328 -3.334 -7.148 1.00 0.00 H new ATOM 181 N THR A 418 61.468 -2.789 -9.226 1.00 0.00 N ATOM 182 CA THR A 418 61.923 -1.384 -9.421 1.00 0.00 C ATOM 183 C THR A 418 61.162 -0.445 -8.482 1.00 0.00 C ATOM 184 O THR A 418 60.117 0.077 -8.820 1.00 0.00 O ATOM 185 CB THR A 418 61.600 -1.059 -10.883 1.00 0.00 C ATOM 186 OG1 THR A 418 60.495 -1.843 -11.314 1.00 0.00 O ATOM 187 CG2 THR A 418 62.817 -1.362 -11.759 1.00 0.00 C ATOM 0 H THR A 418 60.521 -2.985 -9.549 1.00 0.00 H new ATOM 0 HA THR A 418 62.984 -1.261 -9.201 1.00 0.00 H new ATOM 0 HB THR A 418 61.348 -0.002 -10.969 1.00 0.00 H new ATOM 0 HG1 THR A 418 60.289 -1.632 -12.249 1.00 0.00 H new ATOM 0 HG21 THR A 418 62.584 -1.130 -12.798 1.00 0.00 H new ATOM 0 HG22 THR A 418 63.661 -0.755 -11.432 1.00 0.00 H new ATOM 0 HG23 THR A 418 63.074 -2.418 -11.672 1.00 0.00 H new ATOM 195 N CYS A 419 61.683 -0.224 -7.305 1.00 0.00 N ATOM 196 CA CYS A 419 61.006 0.687 -6.333 1.00 0.00 C ATOM 197 C CYS A 419 60.735 2.054 -6.981 1.00 0.00 C ATOM 198 O CYS A 419 59.846 2.780 -6.577 1.00 0.00 O ATOM 199 CB CYS A 419 61.995 0.792 -5.164 1.00 0.00 C ATOM 200 SG CYS A 419 63.222 2.091 -5.466 1.00 0.00 S ATOM 0 H CYS A 419 62.554 -0.637 -6.972 1.00 0.00 H new ATOM 0 HA CYS A 419 60.034 0.319 -6.005 1.00 0.00 H new ATOM 0 HB2 CYS A 419 61.453 1.006 -4.243 1.00 0.00 H new ATOM 0 HB3 CYS A 419 62.499 -0.164 -5.023 1.00 0.00 H new ATOM 205 N CYS A 420 61.495 2.400 -7.985 1.00 0.00 N ATOM 206 CA CYS A 420 61.292 3.710 -8.672 1.00 0.00 C ATOM 207 C CYS A 420 61.227 3.490 -10.190 1.00 0.00 C ATOM 208 O CYS A 420 61.228 2.362 -10.644 1.00 0.00 O ATOM 209 CB CYS A 420 62.520 4.543 -8.288 1.00 0.00 C ATOM 210 SG CYS A 420 61.997 6.029 -7.393 1.00 0.00 S ATOM 0 H CYS A 420 62.252 1.829 -8.361 1.00 0.00 H new ATOM 0 HA CYS A 420 60.364 4.205 -8.384 1.00 0.00 H new ATOM 0 HB2 CYS A 420 63.193 3.951 -7.667 1.00 0.00 H new ATOM 0 HB3 CYS A 420 63.076 4.823 -9.183 1.00 0.00 H new ATOM 0 HG CYS A 420 63.042 6.730 -7.068 1.00 0.00 H new ATOM 216 N PRO A 421 61.171 4.568 -10.935 1.00 0.00 N ATOM 217 CA PRO A 421 61.104 4.456 -12.410 1.00 0.00 C ATOM 218 C PRO A 421 62.494 4.166 -12.993 1.00 0.00 C ATOM 219 O PRO A 421 62.647 3.964 -14.182 1.00 0.00 O ATOM 220 CB PRO A 421 60.595 5.825 -12.850 1.00 0.00 C ATOM 221 CG PRO A 421 60.983 6.770 -11.754 1.00 0.00 C ATOM 222 CD PRO A 421 61.167 5.967 -10.488 1.00 0.00 C ATOM 0 HA PRO A 421 60.464 3.642 -12.750 1.00 0.00 H new ATOM 0 HB2 PRO A 421 61.040 6.122 -13.800 1.00 0.00 H new ATOM 0 HB3 PRO A 421 59.515 5.814 -12.994 1.00 0.00 H new ATOM 0 HG2 PRO A 421 61.904 7.293 -12.010 1.00 0.00 H new ATOM 0 HG3 PRO A 421 60.213 7.529 -11.615 1.00 0.00 H new ATOM 0 HD2 PRO A 421 62.099 6.226 -9.986 1.00 0.00 H new ATOM 0 HD3 PRO A 421 60.361 6.154 -9.779 1.00 0.00 H new ATOM 230 N THR A 422 63.503 4.136 -12.163 1.00 0.00 N ATOM 231 CA THR A 422 64.880 3.849 -12.659 1.00 0.00 C ATOM 232 C THR A 422 65.671 3.118 -11.572 1.00 0.00 C ATOM 233 O THR A 422 66.763 3.513 -11.210 1.00 0.00 O ATOM 234 CB THR A 422 65.495 5.220 -12.943 1.00 0.00 C ATOM 235 OG1 THR A 422 65.164 6.114 -11.889 1.00 0.00 O ATOM 236 CG2 THR A 422 64.949 5.763 -14.264 1.00 0.00 C ATOM 0 H THR A 422 63.432 4.299 -11.159 1.00 0.00 H new ATOM 0 HA THR A 422 64.884 3.216 -13.546 1.00 0.00 H new ATOM 0 HB THR A 422 66.579 5.124 -13.012 1.00 0.00 H new ATOM 0 HG1 THR A 422 65.559 6.993 -12.069 1.00 0.00 H new ATOM 0 HG21 THR A 422 65.388 6.740 -14.465 1.00 0.00 H new ATOM 0 HG22 THR A 422 65.204 5.077 -15.072 1.00 0.00 H new ATOM 0 HG23 THR A 422 63.865 5.859 -14.198 1.00 0.00 H new ATOM 244 N CYS A 423 65.118 2.061 -11.042 1.00 0.00 N ATOM 245 CA CYS A 423 65.820 1.303 -9.966 1.00 0.00 C ATOM 246 C CYS A 423 66.489 0.047 -10.535 1.00 0.00 C ATOM 247 O CYS A 423 66.133 -0.440 -11.590 1.00 0.00 O ATOM 248 CB CYS A 423 64.712 0.924 -8.979 1.00 0.00 C ATOM 249 SG CYS A 423 65.390 -0.111 -7.654 1.00 0.00 S ATOM 0 H CYS A 423 64.207 1.688 -11.309 1.00 0.00 H new ATOM 0 HA CYS A 423 66.612 1.887 -9.498 1.00 0.00 H new ATOM 0 HB2 CYS A 423 64.266 1.824 -8.556 1.00 0.00 H new ATOM 0 HB3 CYS A 423 63.917 0.389 -9.499 1.00 0.00 H new ATOM 254 N ASP A 424 67.452 -0.480 -9.829 1.00 0.00 N ATOM 255 CA ASP A 424 68.154 -1.708 -10.297 1.00 0.00 C ATOM 256 C ASP A 424 68.553 -2.556 -9.088 1.00 0.00 C ATOM 257 O ASP A 424 69.662 -3.047 -8.997 1.00 0.00 O ATOM 258 CB ASP A 424 69.394 -1.201 -11.035 1.00 0.00 C ATOM 259 CG ASP A 424 69.950 -2.314 -11.925 1.00 0.00 C ATOM 260 OD1 ASP A 424 69.314 -2.626 -12.917 1.00 0.00 O ATOM 261 OD2 ASP A 424 71.004 -2.835 -11.598 1.00 0.00 O ATOM 0 H ASP A 424 67.785 -0.108 -8.940 1.00 0.00 H new ATOM 0 HA ASP A 424 67.533 -2.330 -10.941 1.00 0.00 H new ATOM 0 HB2 ASP A 424 69.140 -0.331 -11.640 1.00 0.00 H new ATOM 0 HB3 ASP A 424 70.151 -0.881 -10.319 1.00 0.00 H new ATOM 266 N VAL A 425 67.656 -2.721 -8.152 1.00 0.00 N ATOM 267 CA VAL A 425 67.972 -3.522 -6.935 1.00 0.00 C ATOM 268 C VAL A 425 67.879 -5.021 -7.241 1.00 0.00 C ATOM 269 O VAL A 425 66.822 -5.546 -7.531 1.00 0.00 O ATOM 270 CB VAL A 425 66.920 -3.094 -5.902 1.00 0.00 C ATOM 271 CG1 VAL A 425 66.841 -4.115 -4.761 1.00 0.00 C ATOM 272 CG2 VAL A 425 67.316 -1.734 -5.330 1.00 0.00 C ATOM 0 H VAL A 425 66.713 -2.333 -8.179 1.00 0.00 H new ATOM 0 HA VAL A 425 68.985 -3.351 -6.572 1.00 0.00 H new ATOM 0 HB VAL A 425 65.946 -3.035 -6.388 1.00 0.00 H new ATOM 0 HG11 VAL A 425 66.090 -3.795 -4.038 1.00 0.00 H new ATOM 0 HG12 VAL A 425 66.565 -5.090 -5.163 1.00 0.00 H new ATOM 0 HG13 VAL A 425 67.811 -4.187 -4.269 1.00 0.00 H new ATOM 0 HG21 VAL A 425 66.576 -1.419 -4.594 1.00 0.00 H new ATOM 0 HG22 VAL A 425 68.293 -1.811 -4.852 1.00 0.00 H new ATOM 0 HG23 VAL A 425 67.363 -1.000 -6.135 1.00 0.00 H new ATOM 282 N ASP A 426 68.986 -5.705 -7.165 1.00 0.00 N ATOM 283 CA ASP A 426 68.992 -7.170 -7.437 1.00 0.00 C ATOM 284 C ASP A 426 70.022 -7.849 -6.532 1.00 0.00 C ATOM 285 O ASP A 426 71.083 -7.313 -6.282 1.00 0.00 O ATOM 286 CB ASP A 426 69.393 -7.302 -8.908 1.00 0.00 C ATOM 287 CG ASP A 426 68.506 -8.347 -9.588 1.00 0.00 C ATOM 288 OD1 ASP A 426 68.157 -9.315 -8.933 1.00 0.00 O ATOM 289 OD2 ASP A 426 68.190 -8.160 -10.751 1.00 0.00 O ATOM 0 H ASP A 426 69.895 -5.309 -6.924 1.00 0.00 H new ATOM 0 HA ASP A 426 68.028 -7.639 -7.243 1.00 0.00 H new ATOM 0 HB2 ASP A 426 69.291 -6.340 -9.411 1.00 0.00 H new ATOM 0 HB3 ASP A 426 70.441 -7.593 -8.986 1.00 0.00 H new ATOM 294 N ILE A 427 69.719 -9.018 -6.033 1.00 0.00 N ATOM 295 CA ILE A 427 70.684 -9.720 -5.132 1.00 0.00 C ATOM 296 C ILE A 427 72.072 -9.799 -5.780 1.00 0.00 C ATOM 297 O ILE A 427 73.076 -9.882 -5.102 1.00 0.00 O ATOM 298 CB ILE A 427 70.100 -11.117 -4.927 1.00 0.00 C ATOM 299 CG1 ILE A 427 70.976 -11.891 -3.937 1.00 0.00 C ATOM 300 CG2 ILE A 427 70.052 -11.862 -6.265 1.00 0.00 C ATOM 301 CD1 ILE A 427 70.212 -12.096 -2.627 1.00 0.00 C ATOM 0 H ILE A 427 68.847 -9.518 -6.209 1.00 0.00 H new ATOM 0 HA ILE A 427 70.814 -9.193 -4.187 1.00 0.00 H new ATOM 0 HB ILE A 427 69.088 -11.032 -4.531 1.00 0.00 H new ATOM 0 HG12 ILE A 427 71.257 -12.855 -4.361 1.00 0.00 H new ATOM 0 HG13 ILE A 427 71.900 -11.344 -3.749 1.00 0.00 H new ATOM 0 HG21 ILE A 427 69.635 -12.857 -6.112 1.00 0.00 H new ATOM 0 HG22 ILE A 427 69.427 -11.310 -6.967 1.00 0.00 H new ATOM 0 HG23 ILE A 427 71.061 -11.949 -6.669 1.00 0.00 H new ATOM 0 HD11 ILE A 427 70.837 -12.647 -1.924 1.00 0.00 H new ATOM 0 HD12 ILE A 427 69.954 -11.127 -2.201 1.00 0.00 H new ATOM 0 HD13 ILE A 427 69.300 -12.661 -2.822 1.00 0.00 H new ATOM 313 N ASN A 428 72.135 -9.770 -7.085 1.00 0.00 N ATOM 314 CA ASN A 428 73.461 -9.839 -7.769 1.00 0.00 C ATOM 315 C ASN A 428 74.346 -8.678 -7.308 1.00 0.00 C ATOM 316 O ASN A 428 75.550 -8.805 -7.201 1.00 0.00 O ATOM 317 CB ASN A 428 73.148 -9.716 -9.262 1.00 0.00 C ATOM 318 CG ASN A 428 74.416 -9.992 -10.073 1.00 0.00 C ATOM 319 OD1 ASN A 428 75.014 -11.042 -9.949 1.00 0.00 O ATOM 320 ND2 ASN A 428 74.854 -9.086 -10.904 1.00 0.00 N ATOM 0 H ASN A 428 71.329 -9.702 -7.706 1.00 0.00 H new ATOM 0 HA ASN A 428 73.997 -10.761 -7.543 1.00 0.00 H new ATOM 0 HB2 ASN A 428 72.365 -10.422 -9.540 1.00 0.00 H new ATOM 0 HB3 ASN A 428 72.771 -8.718 -9.485 1.00 0.00 H new ATOM 0 HD21 ASN A 428 75.698 -9.260 -11.449 1.00 0.00 H new ATOM 0 HD22 ASN A 428 74.352 -8.204 -11.008 1.00 0.00 H new ATOM 327 N THR A 429 73.753 -7.548 -7.029 1.00 0.00 N ATOM 328 CA THR A 429 74.550 -6.374 -6.569 1.00 0.00 C ATOM 329 C THR A 429 74.090 -5.932 -5.175 1.00 0.00 C ATOM 330 O THR A 429 74.837 -5.335 -4.426 1.00 0.00 O ATOM 331 CB THR A 429 74.275 -5.276 -7.599 1.00 0.00 C ATOM 332 OG1 THR A 429 72.881 -5.003 -7.636 1.00 0.00 O ATOM 333 CG2 THR A 429 74.744 -5.739 -8.980 1.00 0.00 C ATOM 0 H THR A 429 72.748 -7.387 -7.100 1.00 0.00 H new ATOM 0 HA THR A 429 75.613 -6.603 -6.493 1.00 0.00 H new ATOM 0 HB THR A 429 74.816 -4.372 -7.320 1.00 0.00 H new ATOM 0 HG1 THR A 429 72.703 -4.299 -8.294 1.00 0.00 H new ATOM 0 HG21 THR A 429 74.547 -4.956 -9.712 1.00 0.00 H new ATOM 0 HG22 THR A 429 75.813 -5.948 -8.950 1.00 0.00 H new ATOM 0 HG23 THR A 429 74.206 -6.644 -9.263 1.00 0.00 H new ATOM 341 N TRP A 430 72.863 -6.220 -4.824 1.00 0.00 N ATOM 342 CA TRP A 430 72.353 -5.817 -3.479 1.00 0.00 C ATOM 343 C TRP A 430 73.207 -6.441 -2.373 1.00 0.00 C ATOM 344 O TRP A 430 74.095 -7.231 -2.627 1.00 0.00 O ATOM 345 CB TRP A 430 70.935 -6.380 -3.395 1.00 0.00 C ATOM 346 CG TRP A 430 70.276 -5.863 -2.171 1.00 0.00 C ATOM 347 CD1 TRP A 430 69.806 -4.610 -1.962 1.00 0.00 C ATOM 348 CD2 TRP A 430 70.034 -6.596 -0.970 1.00 0.00 C ATOM 349 NE1 TRP A 430 69.285 -4.549 -0.675 1.00 0.00 N ATOM 350 CE2 TRP A 430 69.407 -5.765 -0.025 1.00 0.00 C ATOM 351 CE3 TRP A 430 70.312 -7.908 -0.641 1.00 0.00 C ATOM 352 CZ2 TRP A 430 69.063 -6.243 1.240 1.00 0.00 C ATOM 353 CZ3 TRP A 430 69.974 -8.411 0.625 1.00 0.00 C ATOM 354 CH2 TRP A 430 69.349 -7.577 1.568 1.00 0.00 C ATOM 0 H TRP A 430 72.192 -6.717 -5.410 1.00 0.00 H new ATOM 0 HA TRP A 430 72.383 -4.735 -3.352 1.00 0.00 H new ATOM 0 HB2 TRP A 430 70.364 -6.093 -4.278 1.00 0.00 H new ATOM 0 HB3 TRP A 430 70.964 -7.469 -3.374 1.00 0.00 H new ATOM 0 HD1 TRP A 430 69.832 -3.798 -2.673 1.00 0.00 H new ATOM 0 HE1 TRP A 430 68.867 -3.715 -0.262 1.00 0.00 H new ATOM 0 HE3 TRP A 430 70.793 -8.552 -1.363 1.00 0.00 H new ATOM 0 HZ2 TRP A 430 68.583 -5.594 1.958 1.00 0.00 H new ATOM 0 HZ3 TRP A 430 70.194 -9.438 0.874 1.00 0.00 H new ATOM 0 HH2 TRP A 430 69.089 -7.962 2.543 1.00 0.00 H new ATOM 365 N VAL A 431 72.930 -6.097 -1.143 1.00 0.00 N ATOM 366 CA VAL A 431 73.705 -6.668 -0.007 1.00 0.00 C ATOM 367 C VAL A 431 72.960 -6.403 1.306 1.00 0.00 C ATOM 368 O VAL A 431 72.234 -5.435 1.423 1.00 0.00 O ATOM 369 CB VAL A 431 75.061 -5.957 -0.058 1.00 0.00 C ATOM 370 CG1 VAL A 431 74.860 -4.450 -0.240 1.00 0.00 C ATOM 371 CG2 VAL A 431 75.856 -6.205 1.228 1.00 0.00 C ATOM 0 H VAL A 431 72.196 -5.441 -0.877 1.00 0.00 H new ATOM 0 HA VAL A 431 73.834 -7.749 -0.071 1.00 0.00 H new ATOM 0 HB VAL A 431 75.619 -6.359 -0.904 1.00 0.00 H new ATOM 0 HG11 VAL A 431 75.831 -3.955 -0.275 1.00 0.00 H new ATOM 0 HG12 VAL A 431 74.324 -4.264 -1.171 1.00 0.00 H new ATOM 0 HG13 VAL A 431 74.282 -4.056 0.596 1.00 0.00 H new ATOM 0 HG21 VAL A 431 76.815 -5.690 1.168 1.00 0.00 H new ATOM 0 HG22 VAL A 431 75.294 -5.827 2.082 1.00 0.00 H new ATOM 0 HG23 VAL A 431 76.026 -7.275 1.350 1.00 0.00 H new ATOM 381 N PRO A 432 73.152 -7.289 2.249 1.00 0.00 N ATOM 382 CA PRO A 432 72.474 -7.161 3.557 1.00 0.00 C ATOM 383 C PRO A 432 73.170 -6.115 4.431 1.00 0.00 C ATOM 384 O PRO A 432 74.201 -6.367 5.023 1.00 0.00 O ATOM 385 CB PRO A 432 72.592 -8.559 4.158 1.00 0.00 C ATOM 386 CG PRO A 432 73.786 -9.182 3.501 1.00 0.00 C ATOM 387 CD PRO A 432 74.013 -8.476 2.185 1.00 0.00 C ATOM 0 HA PRO A 432 71.440 -6.828 3.473 1.00 0.00 H new ATOM 0 HB2 PRO A 432 72.720 -8.511 5.239 1.00 0.00 H new ATOM 0 HB3 PRO A 432 71.692 -9.144 3.970 1.00 0.00 H new ATOM 0 HG2 PRO A 432 74.664 -9.090 4.140 1.00 0.00 H new ATOM 0 HG3 PRO A 432 73.620 -10.247 3.339 1.00 0.00 H new ATOM 0 HD2 PRO A 432 75.060 -8.200 2.058 1.00 0.00 H new ATOM 0 HD3 PRO A 432 73.747 -9.114 1.342 1.00 0.00 H new ATOM 395 N PHE A 433 72.602 -4.942 4.515 1.00 0.00 N ATOM 396 CA PHE A 433 73.209 -3.864 5.348 1.00 0.00 C ATOM 397 C PHE A 433 72.332 -3.598 6.572 1.00 0.00 C ATOM 398 O PHE A 433 72.819 -3.349 7.658 1.00 0.00 O ATOM 399 CB PHE A 433 73.231 -2.636 4.438 1.00 0.00 C ATOM 400 CG PHE A 433 74.173 -1.601 5.004 1.00 0.00 C ATOM 401 CD1 PHE A 433 75.557 -1.791 4.916 1.00 0.00 C ATOM 402 CD2 PHE A 433 73.662 -0.450 5.618 1.00 0.00 C ATOM 403 CE1 PHE A 433 76.431 -0.830 5.441 1.00 0.00 C ATOM 404 CE2 PHE A 433 74.535 0.509 6.143 1.00 0.00 C ATOM 405 CZ PHE A 433 75.919 0.320 6.054 1.00 0.00 C ATOM 0 H PHE A 433 71.738 -4.683 4.039 1.00 0.00 H new ATOM 0 HA PHE A 433 74.203 -4.126 5.711 1.00 0.00 H new ATOM 0 HB2 PHE A 433 73.548 -2.920 3.435 1.00 0.00 H new ATOM 0 HB3 PHE A 433 72.228 -2.219 4.349 1.00 0.00 H new ATOM 0 HD1 PHE A 433 75.951 -2.678 4.443 1.00 0.00 H new ATOM 0 HD2 PHE A 433 72.594 -0.303 5.686 1.00 0.00 H new ATOM 0 HE1 PHE A 433 77.499 -0.976 5.373 1.00 0.00 H new ATOM 0 HE2 PHE A 433 74.141 1.396 6.617 1.00 0.00 H new ATOM 0 HZ PHE A 433 76.592 1.061 6.458 1.00 0.00 H new ATOM 415 N TYR A 434 71.041 -3.650 6.396 1.00 0.00 N ATOM 416 CA TYR A 434 70.114 -3.398 7.542 1.00 0.00 C ATOM 417 C TYR A 434 70.363 -4.421 8.656 1.00 0.00 C ATOM 418 O TYR A 434 71.004 -5.432 8.450 1.00 0.00 O ATOM 419 CB TYR A 434 68.705 -3.568 6.967 1.00 0.00 C ATOM 420 CG TYR A 434 68.523 -2.651 5.780 1.00 0.00 C ATOM 421 CD1 TYR A 434 68.757 -1.277 5.910 1.00 0.00 C ATOM 422 CD2 TYR A 434 68.121 -3.178 4.546 1.00 0.00 C ATOM 423 CE1 TYR A 434 68.589 -0.431 4.806 1.00 0.00 C ATOM 424 CE2 TYR A 434 67.953 -2.332 3.444 1.00 0.00 C ATOM 425 CZ TYR A 434 68.187 -0.958 3.574 1.00 0.00 C ATOM 426 OH TYR A 434 68.021 -0.124 2.487 1.00 0.00 O ATOM 0 H TYR A 434 70.584 -3.856 5.508 1.00 0.00 H new ATOM 0 HA TYR A 434 70.258 -2.408 7.976 1.00 0.00 H new ATOM 0 HB2 TYR A 434 68.548 -4.604 6.666 1.00 0.00 H new ATOM 0 HB3 TYR A 434 67.961 -3.342 7.731 1.00 0.00 H new ATOM 0 HD1 TYR A 434 69.067 -0.869 6.861 1.00 0.00 H new ATOM 0 HD2 TYR A 434 67.941 -4.238 4.445 1.00 0.00 H new ATOM 0 HE1 TYR A 434 68.770 0.629 4.906 1.00 0.00 H new ATOM 0 HE2 TYR A 434 67.643 -2.739 2.493 1.00 0.00 H new ATOM 0 HH TYR A 434 67.740 -0.651 1.710 1.00 0.00 H new ATOM 436 N SER A 435 69.859 -4.163 9.833 1.00 0.00 N ATOM 437 CA SER A 435 70.064 -5.119 10.961 1.00 0.00 C ATOM 438 C SER A 435 68.879 -6.084 11.061 1.00 0.00 C ATOM 439 O SER A 435 69.011 -7.193 11.542 1.00 0.00 O ATOM 440 CB SER A 435 70.149 -4.242 12.210 1.00 0.00 C ATOM 441 OG SER A 435 71.041 -4.839 13.141 1.00 0.00 O ATOM 0 H SER A 435 69.314 -3.332 10.063 1.00 0.00 H new ATOM 0 HA SER A 435 70.958 -5.729 10.829 1.00 0.00 H new ATOM 0 HB2 SER A 435 70.496 -3.243 11.945 1.00 0.00 H new ATOM 0 HB3 SER A 435 69.161 -4.128 12.657 1.00 0.00 H new ATOM 0 HG SER A 435 71.100 -4.279 13.943 1.00 0.00 H new ATOM 447 N THR A 436 67.724 -5.670 10.614 1.00 0.00 N ATOM 448 CA THR A 436 66.528 -6.560 10.686 1.00 0.00 C ATOM 449 C THR A 436 66.457 -7.461 9.450 1.00 0.00 C ATOM 450 O THR A 436 65.912 -8.547 9.493 1.00 0.00 O ATOM 451 CB THR A 436 65.332 -5.609 10.726 1.00 0.00 C ATOM 452 OG1 THR A 436 65.464 -4.642 9.692 1.00 0.00 O ATOM 453 CG2 THR A 436 65.282 -4.904 12.081 1.00 0.00 C ATOM 0 H THR A 436 67.556 -4.752 10.201 1.00 0.00 H new ATOM 0 HA THR A 436 66.557 -7.219 11.554 1.00 0.00 H new ATOM 0 HB THR A 436 64.412 -6.176 10.581 1.00 0.00 H new ATOM 0 HG1 THR A 436 64.697 -4.032 9.715 1.00 0.00 H new ATOM 0 HG21 THR A 436 64.429 -4.226 12.107 1.00 0.00 H new ATOM 0 HG22 THR A 436 65.181 -5.646 12.873 1.00 0.00 H new ATOM 0 HG23 THR A 436 66.201 -4.336 12.230 1.00 0.00 H new ATOM 461 N GLU A 437 66.998 -7.018 8.346 1.00 0.00 N ATOM 462 CA GLU A 437 66.958 -7.847 7.106 1.00 0.00 C ATOM 463 C GLU A 437 68.104 -8.863 7.110 1.00 0.00 C ATOM 464 O GLU A 437 69.169 -8.608 7.639 1.00 0.00 O ATOM 465 CB GLU A 437 67.127 -6.855 5.953 1.00 0.00 C ATOM 466 CG GLU A 437 66.062 -5.758 6.052 1.00 0.00 C ATOM 467 CD GLU A 437 64.671 -6.376 5.898 1.00 0.00 C ATOM 468 OE1 GLU A 437 64.450 -7.051 4.906 1.00 0.00 O ATOM 469 OE2 GLU A 437 63.849 -6.164 6.774 1.00 0.00 O ATOM 0 H GLU A 437 67.466 -6.117 8.249 1.00 0.00 H new ATOM 0 HA GLU A 437 66.030 -8.413 7.022 1.00 0.00 H new ATOM 0 HB2 GLU A 437 68.122 -6.412 5.985 1.00 0.00 H new ATOM 0 HB3 GLU A 437 67.040 -7.374 4.999 1.00 0.00 H new ATOM 0 HG2 GLU A 437 66.140 -5.248 7.012 1.00 0.00 H new ATOM 0 HG3 GLU A 437 66.225 -5.008 5.278 1.00 0.00 H new ATOM 476 N LEU A 438 67.895 -10.013 6.526 1.00 0.00 N ATOM 477 CA LEU A 438 68.973 -11.046 6.500 1.00 0.00 C ATOM 478 C LEU A 438 69.326 -11.428 5.056 1.00 0.00 C ATOM 479 O LEU A 438 70.385 -11.965 4.794 1.00 0.00 O ATOM 480 CB LEU A 438 68.397 -12.248 7.253 1.00 0.00 C ATOM 481 CG LEU A 438 67.099 -12.712 6.583 1.00 0.00 C ATOM 482 CD1 LEU A 438 67.026 -14.240 6.614 1.00 0.00 C ATOM 483 CD2 LEU A 438 65.897 -12.130 7.335 1.00 0.00 C ATOM 0 H LEU A 438 67.025 -10.282 6.066 1.00 0.00 H new ATOM 0 HA LEU A 438 69.893 -10.683 6.957 1.00 0.00 H new ATOM 0 HB2 LEU A 438 69.122 -13.062 7.264 1.00 0.00 H new ATOM 0 HB3 LEU A 438 68.204 -11.979 8.291 1.00 0.00 H new ATOM 0 HG LEU A 438 67.083 -12.367 5.549 1.00 0.00 H new ATOM 0 HD11 LEU A 438 66.103 -14.570 6.138 1.00 0.00 H new ATOM 0 HD12 LEU A 438 67.879 -14.656 6.079 1.00 0.00 H new ATOM 0 HD13 LEU A 438 67.044 -14.584 7.648 1.00 0.00 H new ATOM 0 HD21 LEU A 438 64.974 -12.461 6.858 1.00 0.00 H new ATOM 0 HD22 LEU A 438 65.914 -12.474 8.369 1.00 0.00 H new ATOM 0 HD23 LEU A 438 65.947 -11.041 7.313 1.00 0.00 H new ATOM 495 N ASN A 439 68.454 -11.157 4.119 1.00 0.00 N ATOM 496 CA ASN A 439 68.752 -11.510 2.699 1.00 0.00 C ATOM 497 C ASN A 439 67.799 -10.774 1.753 1.00 0.00 C ATOM 498 O ASN A 439 67.478 -11.256 0.683 1.00 0.00 O ATOM 499 CB ASN A 439 68.539 -13.025 2.607 1.00 0.00 C ATOM 500 CG ASN A 439 67.118 -13.381 3.053 1.00 0.00 C ATOM 501 OD1 ASN A 439 66.175 -12.684 2.735 1.00 0.00 O ATOM 502 ND2 ASN A 439 66.925 -14.445 3.783 1.00 0.00 N ATOM 0 H ASN A 439 67.552 -10.708 4.275 1.00 0.00 H new ATOM 0 HA ASN A 439 69.764 -11.224 2.411 1.00 0.00 H new ATOM 0 HB2 ASN A 439 68.703 -13.362 1.584 1.00 0.00 H new ATOM 0 HB3 ASN A 439 69.266 -13.542 3.234 1.00 0.00 H new ATOM 0 HD21 ASN A 439 65.983 -14.691 4.086 1.00 0.00 H new ATOM 0 HD22 ASN A 439 67.716 -15.031 4.050 1.00 0.00 H new ATOM 509 N LYS A 440 67.347 -9.611 2.137 1.00 0.00 N ATOM 510 CA LYS A 440 66.417 -8.843 1.258 1.00 0.00 C ATOM 511 C LYS A 440 66.366 -7.373 1.696 1.00 0.00 C ATOM 512 O LYS A 440 66.559 -7.067 2.856 1.00 0.00 O ATOM 513 CB LYS A 440 65.051 -9.510 1.443 1.00 0.00 C ATOM 514 CG LYS A 440 64.630 -9.427 2.912 1.00 0.00 C ATOM 515 CD LYS A 440 63.412 -10.324 3.149 1.00 0.00 C ATOM 516 CE LYS A 440 63.861 -11.644 3.782 1.00 0.00 C ATOM 517 NZ LYS A 440 62.883 -11.899 4.876 1.00 0.00 N ATOM 0 H LYS A 440 67.581 -9.159 3.021 1.00 0.00 H new ATOM 0 HA LYS A 440 66.734 -8.851 0.215 1.00 0.00 H new ATOM 0 HB2 LYS A 440 64.308 -9.020 0.814 1.00 0.00 H new ATOM 0 HB3 LYS A 440 65.099 -10.552 1.127 1.00 0.00 H new ATOM 0 HG2 LYS A 440 65.454 -9.738 3.555 1.00 0.00 H new ATOM 0 HG3 LYS A 440 64.392 -8.396 3.175 1.00 0.00 H new ATOM 0 HD2 LYS A 440 62.698 -9.821 3.801 1.00 0.00 H new ATOM 0 HD3 LYS A 440 62.901 -10.517 2.206 1.00 0.00 H new ATOM 0 HE2 LYS A 440 63.857 -12.453 3.052 1.00 0.00 H new ATOM 0 HE3 LYS A 440 64.877 -11.570 4.170 1.00 0.00 H new ATOM 0 HZ1 LYS A 440 63.125 -12.788 5.358 1.00 0.00 H new ATOM 0 HZ2 LYS A 440 62.914 -11.116 5.559 1.00 0.00 H new ATOM 0 HZ3 LYS A 440 61.926 -11.971 4.476 1.00 0.00 H new ATOM 531 N PRO A 441 66.109 -6.507 0.748 1.00 0.00 N ATOM 532 CA PRO A 441 66.035 -5.052 1.044 1.00 0.00 C ATOM 533 C PRO A 441 64.825 -4.738 1.929 1.00 0.00 C ATOM 534 O PRO A 441 63.837 -5.445 1.920 1.00 0.00 O ATOM 535 CB PRO A 441 65.882 -4.414 -0.336 1.00 0.00 C ATOM 536 CG PRO A 441 65.299 -5.491 -1.189 1.00 0.00 C ATOM 537 CD PRO A 441 65.862 -6.788 -0.672 1.00 0.00 C ATOM 0 HA PRO A 441 66.905 -4.683 1.587 1.00 0.00 H new ATOM 0 HB2 PRO A 441 65.230 -3.542 -0.299 1.00 0.00 H new ATOM 0 HB3 PRO A 441 66.843 -4.077 -0.725 1.00 0.00 H new ATOM 0 HG2 PRO A 441 64.211 -5.488 -1.130 1.00 0.00 H new ATOM 0 HG3 PRO A 441 65.562 -5.343 -2.236 1.00 0.00 H new ATOM 0 HD2 PRO A 441 65.160 -7.612 -0.803 1.00 0.00 H new ATOM 0 HD3 PRO A 441 66.779 -7.065 -1.193 1.00 0.00 H new ATOM 545 N ALA A 442 64.899 -3.678 2.688 1.00 0.00 N ATOM 546 CA ALA A 442 63.757 -3.308 3.572 1.00 0.00 C ATOM 547 C ALA A 442 62.882 -2.262 2.878 1.00 0.00 C ATOM 548 O ALA A 442 62.931 -1.089 3.195 1.00 0.00 O ATOM 549 CB ALA A 442 64.400 -2.724 4.829 1.00 0.00 C ATOM 0 H ALA A 442 65.703 -3.051 2.734 1.00 0.00 H new ATOM 0 HA ALA A 442 63.117 -4.159 3.805 1.00 0.00 H new ATOM 0 HB1 ALA A 442 63.621 -2.427 5.531 1.00 0.00 H new ATOM 0 HB2 ALA A 442 65.040 -3.475 5.293 1.00 0.00 H new ATOM 0 HB3 ALA A 442 64.998 -1.853 4.561 1.00 0.00 H new ATOM 555 N MET A 443 62.086 -2.678 1.928 1.00 0.00 N ATOM 556 CA MET A 443 61.211 -1.708 1.205 1.00 0.00 C ATOM 557 C MET A 443 60.317 -0.956 2.194 1.00 0.00 C ATOM 558 O MET A 443 60.236 -1.297 3.357 1.00 0.00 O ATOM 559 CB MET A 443 60.369 -2.560 0.253 1.00 0.00 C ATOM 560 CG MET A 443 61.190 -2.889 -0.996 1.00 0.00 C ATOM 561 SD MET A 443 60.391 -4.230 -1.912 1.00 0.00 S ATOM 562 CE MET A 443 59.871 -3.254 -3.344 1.00 0.00 C ATOM 0 H MET A 443 62.004 -3.647 1.621 1.00 0.00 H new ATOM 0 HA MET A 443 61.789 -0.955 0.670 1.00 0.00 H new ATOM 0 HB2 MET A 443 60.057 -3.479 0.749 1.00 0.00 H new ATOM 0 HB3 MET A 443 59.461 -2.025 -0.026 1.00 0.00 H new ATOM 0 HG2 MET A 443 61.279 -2.006 -1.628 1.00 0.00 H new ATOM 0 HG3 MET A 443 62.201 -3.181 -0.712 1.00 0.00 H new ATOM 0 HE1 MET A 443 58.846 -3.514 -3.609 1.00 0.00 H new ATOM 0 HE2 MET A 443 59.924 -2.193 -3.100 1.00 0.00 H new ATOM 0 HE3 MET A 443 60.529 -3.466 -4.187 1.00 0.00 H new ATOM 572 N ILE A 444 59.654 0.070 1.737 1.00 0.00 N ATOM 573 CA ILE A 444 58.773 0.858 2.636 1.00 0.00 C ATOM 574 C ILE A 444 57.393 1.040 2.000 1.00 0.00 C ATOM 575 O ILE A 444 57.232 0.924 0.798 1.00 0.00 O ATOM 576 CB ILE A 444 59.477 2.207 2.782 1.00 0.00 C ATOM 577 CG1 ILE A 444 59.675 2.843 1.396 1.00 0.00 C ATOM 578 CG2 ILE A 444 60.839 2.003 3.451 1.00 0.00 C ATOM 579 CD1 ILE A 444 58.933 4.181 1.326 1.00 0.00 C ATOM 0 H ILE A 444 59.687 0.397 0.771 1.00 0.00 H new ATOM 0 HA ILE A 444 58.615 0.369 3.597 1.00 0.00 H new ATOM 0 HB ILE A 444 58.865 2.868 3.396 1.00 0.00 H new ATOM 0 HG12 ILE A 444 60.737 2.996 1.205 1.00 0.00 H new ATOM 0 HG13 ILE A 444 59.305 2.171 0.622 1.00 0.00 H new ATOM 0 HG21 ILE A 444 61.341 2.965 3.555 1.00 0.00 H new ATOM 0 HG22 ILE A 444 60.698 1.559 4.436 1.00 0.00 H new ATOM 0 HG23 ILE A 444 61.450 1.340 2.838 1.00 0.00 H new ATOM 0 HD11 ILE A 444 59.077 4.626 0.342 1.00 0.00 H new ATOM 0 HD12 ILE A 444 57.869 4.016 1.497 1.00 0.00 H new ATOM 0 HD13 ILE A 444 59.324 4.854 2.089 1.00 0.00 H new ATOM 591 N TYR A 445 56.401 1.326 2.800 1.00 0.00 N ATOM 592 CA TYR A 445 55.026 1.521 2.260 1.00 0.00 C ATOM 593 C TYR A 445 54.732 3.020 2.121 1.00 0.00 C ATOM 594 O TYR A 445 54.527 3.712 3.099 1.00 0.00 O ATOM 595 CB TYR A 445 54.106 0.860 3.300 1.00 0.00 C ATOM 596 CG TYR A 445 52.793 1.606 3.402 1.00 0.00 C ATOM 597 CD1 TYR A 445 51.914 1.627 2.315 1.00 0.00 C ATOM 598 CD2 TYR A 445 52.459 2.274 4.586 1.00 0.00 C ATOM 599 CE1 TYR A 445 50.699 2.317 2.411 1.00 0.00 C ATOM 600 CE2 TYR A 445 51.245 2.964 4.682 1.00 0.00 C ATOM 601 CZ TYR A 445 50.365 2.985 3.595 1.00 0.00 C ATOM 602 OH TYR A 445 49.167 3.665 3.688 1.00 0.00 O ATOM 0 H TYR A 445 56.486 1.433 3.811 1.00 0.00 H new ATOM 0 HA TYR A 445 54.887 1.086 1.270 1.00 0.00 H new ATOM 0 HB2 TYR A 445 53.920 -0.177 3.022 1.00 0.00 H new ATOM 0 HB3 TYR A 445 54.599 0.846 4.272 1.00 0.00 H new ATOM 0 HD1 TYR A 445 52.172 1.111 1.402 1.00 0.00 H new ATOM 0 HD2 TYR A 445 53.138 2.257 5.426 1.00 0.00 H new ATOM 0 HE1 TYR A 445 50.020 2.334 1.572 1.00 0.00 H new ATOM 0 HE2 TYR A 445 50.988 3.480 5.595 1.00 0.00 H new ATOM 0 HH TYR A 445 49.090 4.072 4.576 1.00 0.00 H new ATOM 612 N CYS A 446 54.710 3.526 0.915 1.00 0.00 N ATOM 613 CA CYS A 446 54.425 4.985 0.727 1.00 0.00 C ATOM 614 C CYS A 446 53.082 5.344 1.370 1.00 0.00 C ATOM 615 O CYS A 446 52.217 4.505 1.528 1.00 0.00 O ATOM 616 CB CYS A 446 54.370 5.200 -0.786 1.00 0.00 C ATOM 617 SG CYS A 446 54.265 6.973 -1.142 1.00 0.00 S ATOM 0 H CYS A 446 54.875 2.999 0.057 1.00 0.00 H new ATOM 0 HA CYS A 446 55.184 5.614 1.193 1.00 0.00 H new ATOM 0 HB2 CYS A 446 55.257 4.776 -1.257 1.00 0.00 H new ATOM 0 HB3 CYS A 446 53.508 4.682 -1.206 1.00 0.00 H new ATOM 622 N SER A 447 52.901 6.583 1.745 1.00 0.00 N ATOM 623 CA SER A 447 51.613 6.990 2.383 1.00 0.00 C ATOM 624 C SER A 447 50.775 7.830 1.413 1.00 0.00 C ATOM 625 O SER A 447 49.961 8.635 1.820 1.00 0.00 O ATOM 626 CB SER A 447 52.019 7.820 3.601 1.00 0.00 C ATOM 627 OG SER A 447 51.538 7.189 4.780 1.00 0.00 O ATOM 0 H SER A 447 53.587 7.330 1.638 1.00 0.00 H new ATOM 0 HA SER A 447 51.003 6.130 2.660 1.00 0.00 H new ATOM 0 HB2 SER A 447 53.104 7.918 3.644 1.00 0.00 H new ATOM 0 HB3 SER A 447 51.611 8.828 3.521 1.00 0.00 H new ATOM 0 HG SER A 447 51.798 7.718 5.563 1.00 0.00 H new ATOM 633 N HIS A 448 50.964 7.645 0.134 1.00 0.00 N ATOM 634 CA HIS A 448 50.174 8.429 -0.861 1.00 0.00 C ATOM 635 C HIS A 448 48.827 7.744 -1.112 1.00 0.00 C ATOM 636 O HIS A 448 48.482 6.781 -0.456 1.00 0.00 O ATOM 637 CB HIS A 448 51.024 8.427 -2.132 1.00 0.00 C ATOM 638 CG HIS A 448 50.714 9.651 -2.950 1.00 0.00 C ATOM 639 ND1 HIS A 448 51.064 9.755 -4.287 1.00 0.00 N ATOM 640 CD2 HIS A 448 50.087 10.831 -2.634 1.00 0.00 C ATOM 641 CE1 HIS A 448 50.648 10.958 -4.722 1.00 0.00 C ATOM 642 NE2 HIS A 448 50.046 11.655 -3.755 1.00 0.00 N ATOM 0 H HIS A 448 51.631 6.985 -0.266 1.00 0.00 H new ATOM 0 HA HIS A 448 49.960 9.442 -0.519 1.00 0.00 H new ATOM 0 HB2 HIS A 448 52.083 8.409 -1.873 1.00 0.00 H new ATOM 0 HB3 HIS A 448 50.823 7.528 -2.714 1.00 0.00 H new ATOM 0 HD2 HIS A 448 49.686 11.082 -1.663 1.00 0.00 H new ATOM 0 HE1 HIS A 448 50.784 11.317 -5.731 1.00 0.00 H new ATOM 0 HE2 HIS A 448 49.643 12.590 -3.823 1.00 0.00 H new ATOM 650 N GLY A 449 48.064 8.229 -2.058 1.00 0.00 N ATOM 651 CA GLY A 449 46.741 7.599 -2.350 1.00 0.00 C ATOM 652 C GLY A 449 46.939 6.105 -2.612 1.00 0.00 C ATOM 653 O GLY A 449 46.169 5.277 -2.167 1.00 0.00 O ATOM 0 H GLY A 449 48.299 9.033 -2.640 1.00 0.00 H new ATOM 0 HA2 GLY A 449 46.062 7.746 -1.510 1.00 0.00 H new ATOM 0 HA3 GLY A 449 46.282 8.074 -3.217 1.00 0.00 H new ATOM 657 N ASP A 450 47.976 5.757 -3.325 1.00 0.00 N ATOM 658 CA ASP A 450 48.245 4.320 -3.613 1.00 0.00 C ATOM 659 C ASP A 450 49.595 3.920 -3.013 1.00 0.00 C ATOM 660 O ASP A 450 50.575 3.758 -3.716 1.00 0.00 O ATOM 661 CB ASP A 450 48.278 4.219 -5.138 1.00 0.00 C ATOM 662 CG ASP A 450 47.683 2.878 -5.575 1.00 0.00 C ATOM 663 OD1 ASP A 450 48.429 1.915 -5.643 1.00 0.00 O ATOM 664 OD2 ASP A 450 46.492 2.838 -5.834 1.00 0.00 O ATOM 0 H ASP A 450 48.651 6.410 -3.722 1.00 0.00 H new ATOM 0 HA ASP A 450 47.493 3.658 -3.184 1.00 0.00 H new ATOM 0 HB2 ASP A 450 47.714 5.040 -5.580 1.00 0.00 H new ATOM 0 HB3 ASP A 450 49.303 4.308 -5.497 1.00 0.00 H new ATOM 669 N GLY A 451 49.655 3.770 -1.717 1.00 0.00 N ATOM 670 CA GLY A 451 50.940 3.392 -1.057 1.00 0.00 C ATOM 671 C GLY A 451 51.521 2.140 -1.718 1.00 0.00 C ATOM 672 O GLY A 451 50.819 1.185 -1.987 1.00 0.00 O ATOM 0 H GLY A 451 48.865 3.894 -1.083 1.00 0.00 H new ATOM 0 HA2 GLY A 451 51.651 4.215 -1.130 1.00 0.00 H new ATOM 0 HA3 GLY A 451 50.773 3.208 0.004 1.00 0.00 H new ATOM 676 N HIS A 452 52.804 2.134 -1.968 1.00 0.00 N ATOM 677 CA HIS A 452 53.437 0.941 -2.598 1.00 0.00 C ATOM 678 C HIS A 452 54.668 0.508 -1.806 1.00 0.00 C ATOM 679 O HIS A 452 55.067 1.143 -0.848 1.00 0.00 O ATOM 680 CB HIS A 452 53.823 1.339 -4.031 1.00 0.00 C ATOM 681 CG HIS A 452 54.571 2.651 -4.061 1.00 0.00 C ATOM 682 ND1 HIS A 452 55.802 2.780 -4.690 1.00 0.00 N ATOM 683 CD2 HIS A 452 54.274 3.899 -3.571 1.00 0.00 C ATOM 684 CE1 HIS A 452 56.192 4.063 -4.559 1.00 0.00 C ATOM 685 NE2 HIS A 452 55.294 4.782 -3.884 1.00 0.00 N ATOM 0 H HIS A 452 53.440 2.905 -1.763 1.00 0.00 H new ATOM 0 HA HIS A 452 52.748 0.096 -2.608 1.00 0.00 H new ATOM 0 HB2 HIS A 452 54.441 0.557 -4.473 1.00 0.00 H new ATOM 0 HB3 HIS A 452 52.924 1.418 -4.642 1.00 0.00 H new ATOM 0 HD1 HIS A 452 56.317 2.039 -5.165 1.00 0.00 H new ATOM 0 HD2 HIS A 452 53.379 4.154 -3.023 1.00 0.00 H new ATOM 0 HE1 HIS A 452 57.117 4.460 -4.952 1.00 0.00 H new ATOM 693 N TRP A 453 55.261 -0.578 -2.208 1.00 0.00 N ATOM 694 CA TRP A 453 56.468 -1.099 -1.499 1.00 0.00 C ATOM 695 C TRP A 453 57.735 -0.740 -2.284 1.00 0.00 C ATOM 696 O TRP A 453 57.931 -1.194 -3.395 1.00 0.00 O ATOM 697 CB TRP A 453 56.256 -2.616 -1.478 1.00 0.00 C ATOM 698 CG TRP A 453 56.920 -3.230 -0.284 1.00 0.00 C ATOM 699 CD1 TRP A 453 57.681 -4.348 -0.320 1.00 0.00 C ATOM 700 CD2 TRP A 453 56.888 -2.805 1.112 1.00 0.00 C ATOM 701 NE1 TRP A 453 58.122 -4.633 0.958 1.00 0.00 N ATOM 702 CE2 TRP A 453 57.661 -3.712 1.876 1.00 0.00 C ATOM 703 CE3 TRP A 453 56.273 -1.732 1.782 1.00 0.00 C ATOM 704 CZ2 TRP A 453 57.819 -3.560 3.254 1.00 0.00 C ATOM 705 CZ3 TRP A 453 56.430 -1.578 3.170 1.00 0.00 C ATOM 706 CH2 TRP A 453 57.201 -2.490 3.903 1.00 0.00 C ATOM 0 H TRP A 453 54.960 -1.136 -3.007 1.00 0.00 H new ATOM 0 HA TRP A 453 56.591 -0.681 -0.500 1.00 0.00 H new ATOM 0 HB2 TRP A 453 55.189 -2.838 -1.461 1.00 0.00 H new ATOM 0 HB3 TRP A 453 56.659 -3.057 -2.390 1.00 0.00 H new ATOM 0 HD1 TRP A 453 57.907 -4.925 -1.205 1.00 0.00 H new ATOM 0 HE1 TRP A 453 58.716 -5.428 1.194 1.00 0.00 H new ATOM 0 HE3 TRP A 453 55.677 -1.023 1.227 1.00 0.00 H new ATOM 0 HZ2 TRP A 453 58.415 -4.265 3.814 1.00 0.00 H new ATOM 0 HZ3 TRP A 453 55.953 -0.751 3.675 1.00 0.00 H new ATOM 0 HH2 TRP A 453 57.317 -2.365 4.969 1.00 0.00 H new ATOM 717 N VAL A 454 58.596 0.072 -1.723 1.00 0.00 N ATOM 718 CA VAL A 454 59.844 0.453 -2.458 1.00 0.00 C ATOM 719 C VAL A 454 61.057 0.457 -1.518 1.00 0.00 C ATOM 720 O VAL A 454 60.958 0.802 -0.359 1.00 0.00 O ATOM 721 CB VAL A 454 59.581 1.859 -3.005 1.00 0.00 C ATOM 722 CG1 VAL A 454 58.492 1.793 -4.074 1.00 0.00 C ATOM 723 CG2 VAL A 454 59.126 2.778 -1.873 1.00 0.00 C ATOM 0 H VAL A 454 58.492 0.485 -0.796 1.00 0.00 H new ATOM 0 HA VAL A 454 60.073 -0.257 -3.253 1.00 0.00 H new ATOM 0 HB VAL A 454 60.499 2.253 -3.441 1.00 0.00 H new ATOM 0 HG11 VAL A 454 58.304 2.793 -4.464 1.00 0.00 H new ATOM 0 HG12 VAL A 454 58.818 1.142 -4.886 1.00 0.00 H new ATOM 0 HG13 VAL A 454 57.576 1.396 -3.636 1.00 0.00 H new ATOM 0 HG21 VAL A 454 58.940 3.777 -2.268 1.00 0.00 H new ATOM 0 HG22 VAL A 454 58.210 2.386 -1.432 1.00 0.00 H new ATOM 0 HG23 VAL A 454 59.903 2.828 -1.110 1.00 0.00 H new ATOM 733 N HIS A 455 62.204 0.073 -2.020 1.00 0.00 N ATOM 734 CA HIS A 455 63.439 0.043 -1.169 1.00 0.00 C ATOM 735 C HIS A 455 63.619 1.380 -0.441 1.00 0.00 C ATOM 736 O HIS A 455 63.086 2.394 -0.847 1.00 0.00 O ATOM 737 CB HIS A 455 64.607 -0.198 -2.140 1.00 0.00 C ATOM 738 CG HIS A 455 64.319 -1.382 -3.011 1.00 0.00 C ATOM 739 ND1 HIS A 455 64.273 -1.294 -4.408 1.00 0.00 N ATOM 740 CD2 HIS A 455 64.014 -2.678 -2.704 1.00 0.00 C ATOM 741 CE1 HIS A 455 63.937 -2.515 -4.880 1.00 0.00 C ATOM 742 NE2 HIS A 455 63.777 -3.364 -3.877 1.00 0.00 N ATOM 0 H HIS A 455 62.341 -0.223 -2.986 1.00 0.00 H new ATOM 0 HA HIS A 455 63.382 -0.733 -0.405 1.00 0.00 H new ATOM 0 HB2 HIS A 455 64.765 0.687 -2.757 1.00 0.00 H new ATOM 0 HB3 HIS A 455 65.527 -0.365 -1.580 1.00 0.00 H new ATOM 0 HD2 HIS A 455 63.966 -3.096 -1.709 1.00 0.00 H new ATOM 0 HE1 HIS A 455 63.816 -2.762 -5.924 1.00 0.00 H new ATOM 0 HE2 HIS A 455 63.524 -4.349 -3.957 1.00 0.00 H new ATOM 750 N ALA A 456 64.363 1.386 0.634 1.00 0.00 N ATOM 751 CA ALA A 456 64.574 2.655 1.392 1.00 0.00 C ATOM 752 C ALA A 456 65.881 3.324 0.958 1.00 0.00 C ATOM 753 O ALA A 456 65.896 4.464 0.535 1.00 0.00 O ATOM 754 CB ALA A 456 64.653 2.230 2.859 1.00 0.00 C ATOM 0 H ALA A 456 64.834 0.567 1.020 1.00 0.00 H new ATOM 0 HA ALA A 456 63.776 3.377 1.216 1.00 0.00 H new ATOM 0 HB1 ALA A 456 64.808 3.109 3.485 1.00 0.00 H new ATOM 0 HB2 ALA A 456 63.723 1.739 3.146 1.00 0.00 H new ATOM 0 HB3 ALA A 456 65.485 1.538 2.993 1.00 0.00 H new ATOM 760 N GLN A 457 66.979 2.624 1.066 1.00 0.00 N ATOM 761 CA GLN A 457 68.292 3.215 0.666 1.00 0.00 C ATOM 762 C GLN A 457 68.249 3.684 -0.793 1.00 0.00 C ATOM 763 O GLN A 457 69.021 4.529 -1.204 1.00 0.00 O ATOM 764 CB GLN A 457 69.303 2.079 0.835 1.00 0.00 C ATOM 765 CG GLN A 457 70.708 2.593 0.518 1.00 0.00 C ATOM 766 CD GLN A 457 71.681 1.413 0.457 1.00 0.00 C ATOM 767 OE1 GLN A 457 71.653 0.636 -0.476 1.00 0.00 O ATOM 768 NE2 GLN A 457 72.546 1.246 1.420 1.00 0.00 N ATOM 0 H GLN A 457 67.024 1.666 1.415 1.00 0.00 H new ATOM 0 HA GLN A 457 68.550 4.087 1.267 1.00 0.00 H new ATOM 0 HB2 GLN A 457 69.267 1.695 1.854 1.00 0.00 H new ATOM 0 HB3 GLN A 457 69.049 1.251 0.173 1.00 0.00 H new ATOM 0 HG2 GLN A 457 70.706 3.126 -0.433 1.00 0.00 H new ATOM 0 HG3 GLN A 457 71.028 3.303 1.281 1.00 0.00 H new ATOM 0 HE21 GLN A 457 72.569 1.899 2.203 1.00 0.00 H new ATOM 0 HE22 GLN A 457 73.199 0.463 1.389 1.00 0.00 H new ATOM 777 N CYS A 458 67.353 3.145 -1.576 1.00 0.00 N ATOM 778 CA CYS A 458 67.262 3.560 -3.008 1.00 0.00 C ATOM 779 C CYS A 458 66.940 5.053 -3.110 1.00 0.00 C ATOM 780 O CYS A 458 67.268 5.702 -4.084 1.00 0.00 O ATOM 781 CB CYS A 458 66.115 2.733 -3.591 1.00 0.00 C ATOM 782 SG CYS A 458 66.775 1.232 -4.360 1.00 0.00 S ATOM 0 H CYS A 458 66.680 2.435 -1.287 1.00 0.00 H new ATOM 0 HA CYS A 458 68.199 3.397 -3.540 1.00 0.00 H new ATOM 0 HB2 CYS A 458 65.407 2.470 -2.805 1.00 0.00 H new ATOM 0 HB3 CYS A 458 65.568 3.321 -4.328 1.00 0.00 H new ATOM 787 N MET A 459 66.292 5.601 -2.116 1.00 0.00 N ATOM 788 CA MET A 459 65.941 7.051 -2.164 1.00 0.00 C ATOM 789 C MET A 459 67.070 7.895 -1.560 1.00 0.00 C ATOM 790 O MET A 459 67.835 8.518 -2.269 1.00 0.00 O ATOM 791 CB MET A 459 64.655 7.184 -1.338 1.00 0.00 C ATOM 792 CG MET A 459 63.615 6.165 -1.820 1.00 0.00 C ATOM 793 SD MET A 459 63.194 6.488 -3.551 1.00 0.00 S ATOM 794 CE MET A 459 62.623 4.821 -3.960 1.00 0.00 C ATOM 0 H MET A 459 65.991 5.109 -1.275 1.00 0.00 H new ATOM 0 HA MET A 459 65.800 7.405 -3.185 1.00 0.00 H new ATOM 0 HB2 MET A 459 64.873 7.022 -0.282 1.00 0.00 H new ATOM 0 HB3 MET A 459 64.256 8.194 -1.430 1.00 0.00 H new ATOM 0 HG2 MET A 459 64.008 5.154 -1.715 1.00 0.00 H new ATOM 0 HG3 MET A 459 62.720 6.225 -1.201 1.00 0.00 H new ATOM 0 HE1 MET A 459 62.860 4.600 -5.001 1.00 0.00 H new ATOM 0 HE2 MET A 459 63.119 4.097 -3.313 1.00 0.00 H new ATOM 0 HE3 MET A 459 61.545 4.759 -3.813 1.00 0.00 H new ATOM 804 N ASP A 460 67.186 7.918 -0.255 1.00 0.00 N ATOM 805 CA ASP A 460 68.264 8.714 0.394 1.00 0.00 C ATOM 806 C ASP A 460 68.186 8.569 1.917 1.00 0.00 C ATOM 807 O ASP A 460 68.354 9.524 2.649 1.00 0.00 O ATOM 808 CB ASP A 460 68.015 10.170 -0.015 1.00 0.00 C ATOM 809 CG ASP A 460 69.344 10.837 -0.373 1.00 0.00 C ATOM 810 OD1 ASP A 460 70.310 10.603 0.334 1.00 0.00 O ATOM 811 OD2 ASP A 460 69.372 11.569 -1.348 1.00 0.00 O ATOM 0 H ASP A 460 66.575 7.416 0.389 1.00 0.00 H new ATOM 0 HA ASP A 460 69.253 8.376 0.086 1.00 0.00 H new ATOM 0 HB2 ASP A 460 67.336 10.208 -0.867 1.00 0.00 H new ATOM 0 HB3 ASP A 460 67.533 10.710 0.800 1.00 0.00 H new ATOM 816 N LEU A 461 67.931 7.381 2.397 1.00 0.00 N ATOM 817 CA LEU A 461 67.842 7.175 3.873 1.00 0.00 C ATOM 818 C LEU A 461 68.895 6.163 4.331 1.00 0.00 C ATOM 819 O LEU A 461 69.348 5.335 3.565 1.00 0.00 O ATOM 820 CB LEU A 461 66.433 6.632 4.113 1.00 0.00 C ATOM 821 CG LEU A 461 65.411 7.753 3.911 1.00 0.00 C ATOM 822 CD1 LEU A 461 64.818 7.657 2.503 1.00 0.00 C ATOM 823 CD2 LEU A 461 64.290 7.616 4.944 1.00 0.00 C ATOM 0 H LEU A 461 67.781 6.545 1.832 1.00 0.00 H new ATOM 0 HA LEU A 461 68.024 8.094 4.430 1.00 0.00 H new ATOM 0 HB2 LEU A 461 66.227 5.810 3.427 1.00 0.00 H new ATOM 0 HB3 LEU A 461 66.354 6.231 5.124 1.00 0.00 H new ATOM 0 HG LEU A 461 65.904 8.717 4.034 1.00 0.00 H new ATOM 0 HD11 LEU A 461 64.090 8.456 2.360 1.00 0.00 H new ATOM 0 HD12 LEU A 461 65.614 7.755 1.765 1.00 0.00 H new ATOM 0 HD13 LEU A 461 64.327 6.692 2.380 1.00 0.00 H new ATOM 0 HD21 LEU A 461 63.563 8.415 4.800 1.00 0.00 H new ATOM 0 HD22 LEU A 461 63.798 6.651 4.822 1.00 0.00 H new ATOM 0 HD23 LEU A 461 64.710 7.685 5.948 1.00 0.00 H new ATOM 835 N GLU A 462 69.288 6.225 5.575 1.00 0.00 N ATOM 836 CA GLU A 462 70.313 5.268 6.084 1.00 0.00 C ATOM 837 C GLU A 462 69.638 4.137 6.867 1.00 0.00 C ATOM 838 O GLU A 462 68.474 3.844 6.673 1.00 0.00 O ATOM 839 CB GLU A 462 71.210 6.100 7.004 1.00 0.00 C ATOM 840 CG GLU A 462 72.679 5.845 6.657 1.00 0.00 C ATOM 841 CD GLU A 462 73.541 6.975 7.222 1.00 0.00 C ATOM 842 OE1 GLU A 462 73.427 7.244 8.407 1.00 0.00 O ATOM 843 OE2 GLU A 462 74.301 7.552 6.462 1.00 0.00 O ATOM 0 H GLU A 462 68.944 6.897 6.261 1.00 0.00 H new ATOM 0 HA GLU A 462 70.879 4.801 5.278 1.00 0.00 H new ATOM 0 HB2 GLU A 462 70.978 7.159 6.894 1.00 0.00 H new ATOM 0 HB3 GLU A 462 71.021 5.839 8.045 1.00 0.00 H new ATOM 0 HG2 GLU A 462 73.000 4.888 7.069 1.00 0.00 H new ATOM 0 HG3 GLU A 462 72.803 5.785 5.576 1.00 0.00 H new ATOM 850 N GLU A 463 70.359 3.502 7.752 1.00 0.00 N ATOM 851 CA GLU A 463 69.763 2.390 8.547 1.00 0.00 C ATOM 852 C GLU A 463 69.031 2.945 9.772 1.00 0.00 C ATOM 853 O GLU A 463 67.956 2.496 10.119 1.00 0.00 O ATOM 854 CB GLU A 463 70.951 1.529 8.978 1.00 0.00 C ATOM 855 CG GLU A 463 70.458 0.137 9.382 1.00 0.00 C ATOM 856 CD GLU A 463 71.192 -0.322 10.643 1.00 0.00 C ATOM 857 OE1 GLU A 463 72.374 -0.040 10.752 1.00 0.00 O ATOM 858 OE2 GLU A 463 70.558 -0.946 11.479 1.00 0.00 O ATOM 0 H GLU A 463 71.337 3.706 7.959 1.00 0.00 H new ATOM 0 HA GLU A 463 69.032 1.820 7.973 1.00 0.00 H new ATOM 0 HB2 GLU A 463 71.669 1.449 8.162 1.00 0.00 H new ATOM 0 HB3 GLU A 463 71.469 1.999 9.814 1.00 0.00 H new ATOM 0 HG2 GLU A 463 69.383 0.159 9.562 1.00 0.00 H new ATOM 0 HG3 GLU A 463 70.631 -0.570 8.571 1.00 0.00 H new ATOM 865 N ARG A 464 69.606 3.917 10.429 1.00 0.00 N ATOM 866 CA ARG A 464 68.943 4.501 11.634 1.00 0.00 C ATOM 867 C ARG A 464 67.580 5.083 11.260 1.00 0.00 C ATOM 868 O ARG A 464 66.553 4.604 11.702 1.00 0.00 O ATOM 869 CB ARG A 464 69.887 5.606 12.113 1.00 0.00 C ATOM 870 CG ARG A 464 69.419 6.122 13.475 1.00 0.00 C ATOM 871 CD ARG A 464 69.695 7.624 13.574 1.00 0.00 C ATOM 872 NE ARG A 464 69.498 7.959 15.012 1.00 0.00 N ATOM 873 CZ ARG A 464 69.983 9.070 15.495 1.00 0.00 C ATOM 874 NH1 ARG A 464 69.762 10.200 14.882 1.00 0.00 N ATOM 875 NH2 ARG A 464 70.691 9.050 16.592 1.00 0.00 N ATOM 0 H ARG A 464 70.505 4.332 10.185 1.00 0.00 H new ATOM 0 HA ARG A 464 68.766 3.754 12.408 1.00 0.00 H new ATOM 0 HB2 ARG A 464 70.905 5.223 12.188 1.00 0.00 H new ATOM 0 HB3 ARG A 464 69.906 6.422 11.390 1.00 0.00 H new ATOM 0 HG2 ARG A 464 68.354 5.928 13.603 1.00 0.00 H new ATOM 0 HG3 ARG A 464 69.938 5.593 14.274 1.00 0.00 H new ATOM 0 HD2 ARG A 464 70.708 7.861 13.249 1.00 0.00 H new ATOM 0 HD3 ARG A 464 69.015 8.193 12.940 1.00 0.00 H new ATOM 0 HE ARG A 464 68.984 7.320 15.619 1.00 0.00 H new ATOM 0 HH11 ARG A 464 69.210 10.216 14.025 1.00 0.00 H new ATOM 0 HH12 ARG A 464 70.141 11.068 15.260 1.00 0.00 H new ATOM 0 HH21 ARG A 464 70.865 8.166 17.071 1.00 0.00 H new ATOM 0 HH22 ARG A 464 71.070 9.918 16.970 1.00 0.00 H new ATOM 889 N THR A 465 67.559 6.110 10.449 1.00 0.00 N ATOM 890 CA THR A 465 66.255 6.723 10.046 1.00 0.00 C ATOM 891 C THR A 465 65.275 5.637 9.596 1.00 0.00 C ATOM 892 O THR A 465 64.098 5.693 9.890 1.00 0.00 O ATOM 893 CB THR A 465 66.594 7.658 8.883 1.00 0.00 C ATOM 894 OG1 THR A 465 67.681 8.495 9.254 1.00 0.00 O ATOM 895 CG2 THR A 465 65.375 8.518 8.547 1.00 0.00 C ATOM 0 H THR A 465 68.387 6.551 10.048 1.00 0.00 H new ATOM 0 HA THR A 465 65.780 7.256 10.869 1.00 0.00 H new ATOM 0 HB THR A 465 66.871 7.069 8.009 1.00 0.00 H new ATOM 0 HG1 THR A 465 67.901 9.094 8.510 1.00 0.00 H new ATOM 0 HG21 THR A 465 65.617 9.184 7.719 1.00 0.00 H new ATOM 0 HG22 THR A 465 64.542 7.874 8.264 1.00 0.00 H new ATOM 0 HG23 THR A 465 65.096 9.110 9.419 1.00 0.00 H new ATOM 903 N LEU A 466 65.756 4.639 8.903 1.00 0.00 N ATOM 904 CA LEU A 466 64.852 3.541 8.455 1.00 0.00 C ATOM 905 C LEU A 466 64.321 2.798 9.681 1.00 0.00 C ATOM 906 O LEU A 466 63.170 2.411 9.735 1.00 0.00 O ATOM 907 CB LEU A 466 65.724 2.623 7.598 1.00 0.00 C ATOM 908 CG LEU A 466 64.873 1.477 7.046 1.00 0.00 C ATOM 909 CD1 LEU A 466 65.399 1.067 5.669 1.00 0.00 C ATOM 910 CD2 LEU A 466 64.951 0.281 7.998 1.00 0.00 C ATOM 0 H LEU A 466 66.733 4.537 8.629 1.00 0.00 H new ATOM 0 HA LEU A 466 63.992 3.904 7.893 1.00 0.00 H new ATOM 0 HB2 LEU A 466 66.168 3.187 6.778 1.00 0.00 H new ATOM 0 HB3 LEU A 466 66.546 2.225 8.193 1.00 0.00 H new ATOM 0 HG LEU A 466 63.837 1.804 6.956 1.00 0.00 H new ATOM 0 HD11 LEU A 466 64.793 0.251 5.276 1.00 0.00 H new ATOM 0 HD12 LEU A 466 65.345 1.918 4.991 1.00 0.00 H new ATOM 0 HD13 LEU A 466 66.435 0.739 5.758 1.00 0.00 H new ATOM 0 HD21 LEU A 466 64.345 -0.536 7.606 1.00 0.00 H new ATOM 0 HD22 LEU A 466 65.987 -0.046 8.087 1.00 0.00 H new ATOM 0 HD23 LEU A 466 64.576 0.572 8.979 1.00 0.00 H new ATOM 922 N ILE A 467 65.149 2.618 10.679 1.00 0.00 N ATOM 923 CA ILE A 467 64.683 1.924 11.913 1.00 0.00 C ATOM 924 C ILE A 467 63.633 2.802 12.588 1.00 0.00 C ATOM 925 O ILE A 467 62.554 2.360 12.932 1.00 0.00 O ATOM 926 CB ILE A 467 65.942 1.768 12.792 1.00 0.00 C ATOM 927 CG1 ILE A 467 66.030 0.324 13.294 1.00 0.00 C ATOM 928 CG2 ILE A 467 65.896 2.721 14.001 1.00 0.00 C ATOM 929 CD1 ILE A 467 67.499 -0.089 13.407 1.00 0.00 C ATOM 0 H ILE A 467 66.123 2.921 10.691 1.00 0.00 H new ATOM 0 HA ILE A 467 64.228 0.952 11.723 1.00 0.00 H new ATOM 0 HB ILE A 467 66.816 2.015 12.190 1.00 0.00 H new ATOM 0 HG12 ILE A 467 65.541 0.235 14.264 1.00 0.00 H new ATOM 0 HG13 ILE A 467 65.505 -0.343 12.610 1.00 0.00 H new ATOM 0 HG21 ILE A 467 66.795 2.589 14.603 1.00 0.00 H new ATOM 0 HG22 ILE A 467 65.842 3.752 13.650 1.00 0.00 H new ATOM 0 HG23 ILE A 467 65.018 2.498 14.607 1.00 0.00 H new ATOM 0 HD11 ILE A 467 67.562 -1.117 13.764 1.00 0.00 H new ATOM 0 HD12 ILE A 467 67.974 -0.015 12.429 1.00 0.00 H new ATOM 0 HD13 ILE A 467 68.009 0.571 14.109 1.00 0.00 H new ATOM 941 N HIS A 468 63.955 4.054 12.764 1.00 0.00 N ATOM 942 CA HIS A 468 63.001 4.994 13.403 1.00 0.00 C ATOM 943 C HIS A 468 61.700 5.003 12.601 1.00 0.00 C ATOM 944 O HIS A 468 60.620 4.851 13.139 1.00 0.00 O ATOM 945 CB HIS A 468 63.709 6.353 13.337 1.00 0.00 C ATOM 946 CG HIS A 468 62.784 7.430 13.818 1.00 0.00 C ATOM 947 ND1 HIS A 468 63.113 8.297 14.847 1.00 0.00 N ATOM 948 CD2 HIS A 468 61.532 7.787 13.409 1.00 0.00 C ATOM 949 CE1 HIS A 468 62.070 9.131 15.019 1.00 0.00 C ATOM 950 NE2 HIS A 468 61.077 8.864 14.166 1.00 0.00 N ATOM 0 H HIS A 468 64.847 4.466 12.489 1.00 0.00 H new ATOM 0 HA HIS A 468 62.741 4.729 14.428 1.00 0.00 H new ATOM 0 HB2 HIS A 468 64.610 6.334 13.950 1.00 0.00 H new ATOM 0 HB3 HIS A 468 64.023 6.561 12.314 1.00 0.00 H new ATOM 0 HD2 HIS A 468 60.977 7.306 12.617 1.00 0.00 H new ATOM 0 HE1 HIS A 468 62.040 9.919 15.756 1.00 0.00 H new ATOM 0 HE2 HIS A 468 60.181 9.344 14.086 1.00 0.00 H new ATOM 958 N LEU A 469 61.804 5.173 11.314 1.00 0.00 N ATOM 959 CA LEU A 469 60.589 5.189 10.453 1.00 0.00 C ATOM 960 C LEU A 469 59.873 3.835 10.514 1.00 0.00 C ATOM 961 O LEU A 469 58.730 3.714 10.119 1.00 0.00 O ATOM 962 CB LEU A 469 61.118 5.462 9.043 1.00 0.00 C ATOM 963 CG LEU A 469 60.986 6.956 8.737 1.00 0.00 C ATOM 964 CD1 LEU A 469 61.841 7.309 7.517 1.00 0.00 C ATOM 965 CD2 LEU A 469 59.518 7.293 8.455 1.00 0.00 C ATOM 0 H LEU A 469 62.685 5.303 10.817 1.00 0.00 H new ATOM 0 HA LEU A 469 59.863 5.937 10.770 1.00 0.00 H new ATOM 0 HB2 LEU A 469 62.161 5.154 8.967 1.00 0.00 H new ATOM 0 HB3 LEU A 469 60.559 4.878 8.312 1.00 0.00 H new ATOM 0 HG LEU A 469 61.330 7.533 9.595 1.00 0.00 H new ATOM 0 HD11 LEU A 469 61.745 8.373 7.301 1.00 0.00 H new ATOM 0 HD12 LEU A 469 62.885 7.073 7.724 1.00 0.00 H new ATOM 0 HD13 LEU A 469 61.502 6.732 6.656 1.00 0.00 H new ATOM 0 HD21 LEU A 469 59.424 8.357 8.237 1.00 0.00 H new ATOM 0 HD22 LEU A 469 59.170 6.715 7.599 1.00 0.00 H new ATOM 0 HD23 LEU A 469 58.914 7.047 9.328 1.00 0.00 H new ATOM 977 N SER A 470 60.532 2.819 11.009 1.00 0.00 N ATOM 978 CA SER A 470 59.879 1.481 11.098 1.00 0.00 C ATOM 979 C SER A 470 59.153 1.330 12.439 1.00 0.00 C ATOM 980 O SER A 470 58.339 0.445 12.615 1.00 0.00 O ATOM 981 CB SER A 470 61.024 0.475 10.992 1.00 0.00 C ATOM 982 OG SER A 470 60.495 -0.805 10.672 1.00 0.00 O ATOM 0 H SER A 470 61.491 2.859 11.354 1.00 0.00 H new ATOM 0 HA SER A 470 59.133 1.334 10.317 1.00 0.00 H new ATOM 0 HB2 SER A 470 61.732 0.791 10.225 1.00 0.00 H new ATOM 0 HB3 SER A 470 61.572 0.430 11.933 1.00 0.00 H new ATOM 0 HG SER A 470 61.227 -1.453 10.602 1.00 0.00 H new ATOM 988 N GLU A 471 59.442 2.184 13.389 1.00 0.00 N ATOM 989 CA GLU A 471 58.765 2.080 14.717 1.00 0.00 C ATOM 990 C GLU A 471 58.026 3.380 15.048 1.00 0.00 C ATOM 991 O GLU A 471 57.053 3.380 15.778 1.00 0.00 O ATOM 992 CB GLU A 471 59.896 1.839 15.717 1.00 0.00 C ATOM 993 CG GLU A 471 59.346 1.108 16.943 1.00 0.00 C ATOM 994 CD GLU A 471 59.525 -0.400 16.763 1.00 0.00 C ATOM 995 OE1 GLU A 471 58.631 -1.022 16.215 1.00 0.00 O ATOM 996 OE2 GLU A 471 60.554 -0.909 17.177 1.00 0.00 O ATOM 0 H GLU A 471 60.115 2.946 13.303 1.00 0.00 H new ATOM 0 HA GLU A 471 58.021 1.283 14.736 1.00 0.00 H new ATOM 0 HB2 GLU A 471 60.686 1.249 15.253 1.00 0.00 H new ATOM 0 HB3 GLU A 471 60.340 2.789 16.016 1.00 0.00 H new ATOM 0 HG2 GLU A 471 59.865 1.442 17.841 1.00 0.00 H new ATOM 0 HG3 GLU A 471 58.291 1.346 17.078 1.00 0.00 H new ATOM 1003 N GLY A 472 58.479 4.487 14.521 1.00 0.00 N ATOM 1004 CA GLY A 472 57.802 5.784 14.808 1.00 0.00 C ATOM 1005 C GLY A 472 56.620 5.968 13.857 1.00 0.00 C ATOM 1006 O GLY A 472 56.551 5.354 12.810 1.00 0.00 O ATOM 0 H GLY A 472 59.289 4.548 13.904 1.00 0.00 H new ATOM 0 HA2 GLY A 472 57.456 5.804 15.842 1.00 0.00 H new ATOM 0 HA3 GLY A 472 58.507 6.607 14.691 1.00 0.00 H new ATOM 1010 N SER A 473 55.687 6.812 14.214 1.00 0.00 N ATOM 1011 CA SER A 473 54.506 7.039 13.332 1.00 0.00 C ATOM 1012 C SER A 473 54.720 8.289 12.472 1.00 0.00 C ATOM 1013 O SER A 473 54.075 9.302 12.661 1.00 0.00 O ATOM 1014 CB SER A 473 53.332 7.240 14.288 1.00 0.00 C ATOM 1015 OG SER A 473 53.540 8.425 15.044 1.00 0.00 O ATOM 0 H SER A 473 55.693 7.353 15.078 1.00 0.00 H new ATOM 0 HA SER A 473 54.336 6.209 12.647 1.00 0.00 H new ATOM 0 HB2 SER A 473 52.400 7.311 13.728 1.00 0.00 H new ATOM 0 HB3 SER A 473 53.239 6.382 14.954 1.00 0.00 H new ATOM 0 HG SER A 473 53.522 9.202 14.446 1.00 0.00 H new ATOM 1021 N ASN A 474 55.622 8.223 11.530 1.00 0.00 N ATOM 1022 CA ASN A 474 55.881 9.405 10.657 1.00 0.00 C ATOM 1023 C ASN A 474 55.305 9.163 9.259 1.00 0.00 C ATOM 1024 O ASN A 474 55.288 8.052 8.768 1.00 0.00 O ATOM 1025 CB ASN A 474 57.405 9.526 10.597 1.00 0.00 C ATOM 1026 CG ASN A 474 57.869 10.638 11.540 1.00 0.00 C ATOM 1027 OD1 ASN A 474 58.047 11.766 11.127 1.00 0.00 O ATOM 1028 ND2 ASN A 474 58.074 10.365 12.800 1.00 0.00 N ATOM 0 H ASN A 474 56.191 7.401 11.327 1.00 0.00 H new ATOM 0 HA ASN A 474 55.416 10.313 11.040 1.00 0.00 H new ATOM 0 HB2 ASN A 474 57.866 8.580 10.879 1.00 0.00 H new ATOM 0 HB3 ASN A 474 57.723 9.744 9.577 1.00 0.00 H new ATOM 0 HD21 ASN A 474 58.384 11.099 13.437 1.00 0.00 H new ATOM 0 HD22 ASN A 474 57.925 9.418 13.147 1.00 0.00 H new ATOM 1035 N LYS A 475 54.834 10.198 8.616 1.00 0.00 N ATOM 1036 CA LYS A 475 54.258 10.031 7.249 1.00 0.00 C ATOM 1037 C LYS A 475 55.359 9.653 6.255 1.00 0.00 C ATOM 1038 O LYS A 475 55.849 10.482 5.513 1.00 0.00 O ATOM 1039 CB LYS A 475 53.662 11.394 6.897 1.00 0.00 C ATOM 1040 CG LYS A 475 52.162 11.390 7.199 1.00 0.00 C ATOM 1041 CD LYS A 475 51.599 12.801 7.013 1.00 0.00 C ATOM 1042 CE LYS A 475 50.163 12.714 6.492 1.00 0.00 C ATOM 1043 NZ LYS A 475 49.517 13.982 6.931 1.00 0.00 N ATOM 0 H LYS A 475 54.823 11.152 8.978 1.00 0.00 H new ATOM 0 HA LYS A 475 53.510 9.239 7.211 1.00 0.00 H new ATOM 0 HB2 LYS A 475 54.157 12.178 7.470 1.00 0.00 H new ATOM 0 HB3 LYS A 475 53.831 11.615 5.843 1.00 0.00 H new ATOM 0 HG2 LYS A 475 51.649 10.692 6.537 1.00 0.00 H new ATOM 0 HG3 LYS A 475 51.987 11.049 8.219 1.00 0.00 H new ATOM 0 HD2 LYS A 475 51.621 13.340 7.960 1.00 0.00 H new ATOM 0 HD3 LYS A 475 52.218 13.361 6.312 1.00 0.00 H new ATOM 0 HE2 LYS A 475 50.142 12.615 5.407 1.00 0.00 H new ATOM 0 HE3 LYS A 475 49.647 11.846 6.901 1.00 0.00 H new ATOM 0 HZ1 LYS A 475 48.528 13.997 6.611 1.00 0.00 H new ATOM 0 HZ2 LYS A 475 49.546 14.045 7.969 1.00 0.00 H new ATOM 0 HZ3 LYS A 475 50.026 14.791 6.521 1.00 0.00 H new ATOM 1057 N TYR A 476 55.750 8.406 6.232 1.00 0.00 N ATOM 1058 CA TYR A 476 56.819 7.973 5.283 1.00 0.00 C ATOM 1059 C TYR A 476 56.371 8.210 3.839 1.00 0.00 C ATOM 1060 O TYR A 476 55.385 7.660 3.388 1.00 0.00 O ATOM 1061 CB TYR A 476 57.007 6.478 5.546 1.00 0.00 C ATOM 1062 CG TYR A 476 58.403 6.062 5.141 1.00 0.00 C ATOM 1063 CD1 TYR A 476 58.851 6.293 3.835 1.00 0.00 C ATOM 1064 CD2 TYR A 476 59.247 5.445 6.072 1.00 0.00 C ATOM 1065 CE1 TYR A 476 60.144 5.906 3.459 1.00 0.00 C ATOM 1066 CE2 TYR A 476 60.540 5.059 5.696 1.00 0.00 C ATOM 1067 CZ TYR A 476 60.988 5.290 4.390 1.00 0.00 C ATOM 1068 OH TYR A 476 62.262 4.910 4.020 1.00 0.00 O ATOM 0 H TYR A 476 55.376 7.668 6.829 1.00 0.00 H new ATOM 0 HA TYR A 476 57.745 8.530 5.425 1.00 0.00 H new ATOM 0 HB2 TYR A 476 56.844 6.261 6.602 1.00 0.00 H new ATOM 0 HB3 TYR A 476 56.269 5.904 4.985 1.00 0.00 H new ATOM 0 HD1 TYR A 476 58.200 6.770 3.117 1.00 0.00 H new ATOM 0 HD2 TYR A 476 58.901 5.267 7.080 1.00 0.00 H new ATOM 0 HE1 TYR A 476 60.489 6.083 2.451 1.00 0.00 H new ATOM 0 HE2 TYR A 476 61.191 4.583 6.414 1.00 0.00 H new ATOM 0 HH TYR A 476 62.716 4.498 4.785 1.00 0.00 H new ATOM 1078 N TYR A 477 57.088 9.024 3.113 1.00 0.00 N ATOM 1079 CA TYR A 477 56.705 9.297 1.697 1.00 0.00 C ATOM 1080 C TYR A 477 57.855 8.918 0.758 1.00 0.00 C ATOM 1081 O TYR A 477 58.989 9.302 0.966 1.00 0.00 O ATOM 1082 CB TYR A 477 56.441 10.803 1.638 1.00 0.00 C ATOM 1083 CG TYR A 477 54.969 11.065 1.853 1.00 0.00 C ATOM 1084 CD1 TYR A 477 54.026 10.518 0.976 1.00 0.00 C ATOM 1085 CD2 TYR A 477 54.549 11.856 2.928 1.00 0.00 C ATOM 1086 CE1 TYR A 477 52.661 10.761 1.173 1.00 0.00 C ATOM 1087 CE2 TYR A 477 53.184 12.099 3.127 1.00 0.00 C ATOM 1088 CZ TYR A 477 52.241 11.553 2.249 1.00 0.00 C ATOM 1089 OH TYR A 477 50.896 11.793 2.446 1.00 0.00 O ATOM 0 H TYR A 477 57.922 9.512 3.438 1.00 0.00 H new ATOM 0 HA TYR A 477 55.834 8.719 1.387 1.00 0.00 H new ATOM 0 HB2 TYR A 477 57.028 11.316 2.400 1.00 0.00 H new ATOM 0 HB3 TYR A 477 56.755 11.201 0.673 1.00 0.00 H new ATOM 0 HD1 TYR A 477 54.351 9.908 0.146 1.00 0.00 H new ATOM 0 HD2 TYR A 477 55.277 12.279 3.604 1.00 0.00 H new ATOM 0 HE1 TYR A 477 51.933 10.338 0.496 1.00 0.00 H new ATOM 0 HE2 TYR A 477 52.859 12.708 3.958 1.00 0.00 H new ATOM 0 HH TYR A 477 50.777 12.359 3.237 1.00 0.00 H new ATOM 1099 N CYS A 478 57.569 8.169 -0.273 1.00 0.00 N ATOM 1100 CA CYS A 478 58.643 7.767 -1.227 1.00 0.00 C ATOM 1101 C CYS A 478 59.273 9.018 -1.859 1.00 0.00 C ATOM 1102 O CYS A 478 59.089 10.120 -1.381 1.00 0.00 O ATOM 1103 CB CYS A 478 57.936 6.885 -2.273 1.00 0.00 C ATOM 1104 SG CYS A 478 57.214 7.905 -3.583 1.00 0.00 S ATOM 0 H CYS A 478 56.638 7.818 -0.496 1.00 0.00 H new ATOM 0 HA CYS A 478 59.459 7.225 -0.749 1.00 0.00 H new ATOM 0 HB2 CYS A 478 58.648 6.181 -2.704 1.00 0.00 H new ATOM 0 HB3 CYS A 478 57.156 6.295 -1.792 1.00 0.00 H new ATOM 1109 N ASN A 479 60.012 8.858 -2.926 1.00 0.00 N ATOM 1110 CA ASN A 479 60.646 10.045 -3.577 1.00 0.00 C ATOM 1111 C ASN A 479 59.726 10.620 -4.659 1.00 0.00 C ATOM 1112 O ASN A 479 59.665 11.816 -4.863 1.00 0.00 O ATOM 1113 CB ASN A 479 61.940 9.518 -4.195 1.00 0.00 C ATOM 1114 CG ASN A 479 62.731 10.679 -4.804 1.00 0.00 C ATOM 1115 OD1 ASN A 479 62.182 11.730 -5.071 1.00 0.00 O ATOM 1116 ND2 ASN A 479 64.007 10.533 -5.033 1.00 0.00 N ATOM 0 H ASN A 479 60.204 7.962 -3.374 1.00 0.00 H new ATOM 0 HA ASN A 479 60.833 10.850 -2.866 1.00 0.00 H new ATOM 0 HB2 ASN A 479 62.539 9.016 -3.435 1.00 0.00 H new ATOM 0 HB3 ASN A 479 61.713 8.778 -4.962 1.00 0.00 H new ATOM 0 HD21 ASN A 479 64.544 11.301 -5.436 1.00 0.00 H new ATOM 0 HD22 ASN A 479 64.468 9.651 -4.809 1.00 0.00 H new ATOM 1123 N GLU A 480 59.014 9.776 -5.357 1.00 0.00 N ATOM 1124 CA GLU A 480 58.099 10.273 -6.430 1.00 0.00 C ATOM 1125 C GLU A 480 56.803 10.837 -5.829 1.00 0.00 C ATOM 1126 O GLU A 480 55.920 11.268 -6.545 1.00 0.00 O ATOM 1127 CB GLU A 480 57.797 9.045 -7.290 1.00 0.00 C ATOM 1128 CG GLU A 480 57.378 9.493 -8.691 1.00 0.00 C ATOM 1129 CD GLU A 480 57.179 8.265 -9.582 1.00 0.00 C ATOM 1130 OE1 GLU A 480 58.078 7.443 -9.633 1.00 0.00 O ATOM 1131 OE2 GLU A 480 56.129 8.169 -10.198 1.00 0.00 O ATOM 0 H GLU A 480 59.025 8.764 -5.232 1.00 0.00 H new ATOM 0 HA GLU A 480 58.551 11.081 -7.005 1.00 0.00 H new ATOM 0 HB2 GLU A 480 58.677 8.404 -7.350 1.00 0.00 H new ATOM 0 HB3 GLU A 480 57.003 8.454 -6.833 1.00 0.00 H new ATOM 0 HG2 GLU A 480 56.455 10.071 -8.639 1.00 0.00 H new ATOM 0 HG3 GLU A 480 58.139 10.146 -9.118 1.00 0.00 H new ATOM 1138 N HIS A 481 56.678 10.841 -4.527 1.00 0.00 N ATOM 1139 CA HIS A 481 55.440 11.377 -3.896 1.00 0.00 C ATOM 1140 C HIS A 481 55.796 12.229 -2.673 1.00 0.00 C ATOM 1141 O HIS A 481 55.096 12.227 -1.679 1.00 0.00 O ATOM 1142 CB HIS A 481 54.645 10.142 -3.469 1.00 0.00 C ATOM 1143 CG HIS A 481 54.270 9.335 -4.682 1.00 0.00 C ATOM 1144 ND1 HIS A 481 54.430 7.944 -4.730 1.00 0.00 N ATOM 1145 CD2 HIS A 481 53.743 9.696 -5.902 1.00 0.00 C ATOM 1146 CE1 HIS A 481 54.009 7.526 -5.941 1.00 0.00 C ATOM 1147 NE2 HIS A 481 53.591 8.554 -6.663 1.00 0.00 N ATOM 0 H HIS A 481 57.382 10.495 -3.875 1.00 0.00 H new ATOM 0 HA HIS A 481 54.874 12.013 -4.576 1.00 0.00 H new ATOM 0 HB2 HIS A 481 55.238 9.534 -2.785 1.00 0.00 H new ATOM 0 HB3 HIS A 481 53.747 10.444 -2.930 1.00 0.00 H new ATOM 0 HD2 HIS A 481 53.492 10.700 -6.211 1.00 0.00 H new ATOM 0 HE1 HIS A 481 54.012 6.499 -6.274 1.00 0.00 H new ATOM 0 HE2 HIS A 481 53.222 8.510 -7.613 1.00 0.00 H new ATOM 1155 N VAL A 482 56.881 12.955 -2.738 1.00 0.00 N ATOM 1156 CA VAL A 482 57.283 13.804 -1.577 1.00 0.00 C ATOM 1157 C VAL A 482 57.066 15.282 -1.898 1.00 0.00 C ATOM 1158 O VAL A 482 56.781 16.085 -1.033 1.00 0.00 O ATOM 1159 CB VAL A 482 58.770 13.508 -1.361 1.00 0.00 C ATOM 1160 CG1 VAL A 482 59.586 14.009 -2.556 1.00 0.00 C ATOM 1161 CG2 VAL A 482 59.248 14.212 -0.089 1.00 0.00 C ATOM 0 H VAL A 482 57.506 12.997 -3.543 1.00 0.00 H new ATOM 0 HA VAL A 482 56.694 13.588 -0.686 1.00 0.00 H new ATOM 0 HB VAL A 482 58.908 12.431 -1.262 1.00 0.00 H new ATOM 0 HG11 VAL A 482 60.642 13.793 -2.392 1.00 0.00 H new ATOM 0 HG12 VAL A 482 59.250 13.506 -3.463 1.00 0.00 H new ATOM 0 HG13 VAL A 482 59.448 15.085 -2.665 1.00 0.00 H new ATOM 0 HG21 VAL A 482 60.306 14.003 0.067 1.00 0.00 H new ATOM 0 HG22 VAL A 482 59.102 15.287 -0.192 1.00 0.00 H new ATOM 0 HG23 VAL A 482 58.677 13.848 0.765 1.00 0.00 H new ATOM 1171 N GLN A 483 57.202 15.635 -3.140 1.00 0.00 N ATOM 1172 CA GLN A 483 57.009 17.059 -3.545 1.00 0.00 C ATOM 1173 C GLN A 483 55.559 17.300 -3.979 1.00 0.00 C ATOM 1174 O GLN A 483 55.248 18.294 -4.605 1.00 0.00 O ATOM 1175 CB GLN A 483 57.961 17.267 -4.724 1.00 0.00 C ATOM 1176 CG GLN A 483 59.279 17.859 -4.220 1.00 0.00 C ATOM 1177 CD GLN A 483 60.363 17.668 -5.283 1.00 0.00 C ATOM 1178 OE1 GLN A 483 60.333 16.712 -6.031 1.00 0.00 O ATOM 1179 NE2 GLN A 483 61.326 18.544 -5.380 1.00 0.00 N ATOM 0 H GLN A 483 57.440 14.998 -3.901 1.00 0.00 H new ATOM 0 HA GLN A 483 57.212 17.750 -2.727 1.00 0.00 H new ATOM 0 HB2 GLN A 483 58.146 16.318 -5.227 1.00 0.00 H new ATOM 0 HB3 GLN A 483 57.508 17.934 -5.457 1.00 0.00 H new ATOM 0 HG2 GLN A 483 59.153 18.919 -4.000 1.00 0.00 H new ATOM 0 HG3 GLN A 483 59.576 17.373 -3.291 1.00 0.00 H new ATOM 0 HE21 GLN A 483 61.350 19.347 -4.751 1.00 0.00 H new ATOM 0 HE22 GLN A 483 62.054 18.426 -6.085 1.00 0.00 H new ATOM 1188 N ILE A 484 54.669 16.399 -3.653 1.00 0.00 N ATOM 1189 CA ILE A 484 53.243 16.578 -4.049 1.00 0.00 C ATOM 1190 C ILE A 484 52.517 17.466 -3.033 1.00 0.00 C ATOM 1191 O ILE A 484 53.123 18.037 -2.148 1.00 0.00 O ATOM 1192 CB ILE A 484 52.652 15.166 -4.052 1.00 0.00 C ATOM 1193 CG1 ILE A 484 52.794 14.537 -2.659 1.00 0.00 C ATOM 1194 CG2 ILE A 484 53.392 14.304 -5.076 1.00 0.00 C ATOM 1195 CD1 ILE A 484 51.485 13.843 -2.271 1.00 0.00 C ATOM 0 H ILE A 484 54.870 15.547 -3.129 1.00 0.00 H new ATOM 0 HA ILE A 484 53.142 17.063 -5.020 1.00 0.00 H new ATOM 0 HB ILE A 484 51.596 15.222 -4.315 1.00 0.00 H new ATOM 0 HG12 ILE A 484 53.613 13.818 -2.656 1.00 0.00 H new ATOM 0 HG13 ILE A 484 53.041 15.305 -1.926 1.00 0.00 H new ATOM 0 HG21 ILE A 484 52.971 13.299 -5.078 1.00 0.00 H new ATOM 0 HG22 ILE A 484 53.285 14.744 -6.067 1.00 0.00 H new ATOM 0 HG23 ILE A 484 54.449 14.254 -4.814 1.00 0.00 H new ATOM 0 HD11 ILE A 484 51.589 13.397 -1.282 1.00 0.00 H new ATOM 0 HD12 ILE A 484 50.676 14.574 -2.257 1.00 0.00 H new ATOM 0 HD13 ILE A 484 51.257 13.063 -2.998 1.00 0.00 H new ATOM 1207 N ALA A 485 51.222 17.583 -3.155 1.00 0.00 N ATOM 1208 CA ALA A 485 50.451 18.431 -2.198 1.00 0.00 C ATOM 1209 C ALA A 485 48.950 18.173 -2.359 1.00 0.00 C ATOM 1210 O ALA A 485 48.538 17.135 -2.838 1.00 0.00 O ATOM 1211 CB ALA A 485 50.794 19.871 -2.581 1.00 0.00 C ATOM 0 H ALA A 485 50.663 17.128 -3.877 1.00 0.00 H new ATOM 0 HA ALA A 485 50.701 18.217 -1.159 1.00 0.00 H new ATOM 0 HB1 ALA A 485 50.265 20.559 -1.922 1.00 0.00 H new ATOM 0 HB2 ALA A 485 51.868 20.028 -2.482 1.00 0.00 H new ATOM 0 HB3 ALA A 485 50.494 20.054 -3.613 1.00 0.00 H new ATOM 1217 N ARG A 486 48.129 19.113 -1.964 1.00 0.00 N ATOM 1218 CA ARG A 486 46.650 18.929 -2.093 1.00 0.00 C ATOM 1219 C ARG A 486 46.207 17.647 -1.381 1.00 0.00 C ATOM 1220 O ARG A 486 46.309 16.561 -1.918 1.00 0.00 O ATOM 1221 CB ARG A 486 46.388 18.827 -3.597 1.00 0.00 C ATOM 1222 CG ARG A 486 45.080 19.543 -3.939 1.00 0.00 C ATOM 1223 CD ARG A 486 44.369 18.796 -5.069 1.00 0.00 C ATOM 1224 NE ARG A 486 43.568 19.836 -5.773 1.00 0.00 N ATOM 1225 CZ ARG A 486 42.274 19.882 -5.613 1.00 0.00 C ATOM 1226 NH1 ARG A 486 41.762 19.809 -4.415 1.00 0.00 N ATOM 1227 NH2 ARG A 486 41.492 20.000 -6.650 1.00 0.00 N ATOM 0 H ARG A 486 48.419 20.002 -1.557 1.00 0.00 H new ATOM 0 HA ARG A 486 46.095 19.750 -1.639 1.00 0.00 H new ATOM 0 HB2 ARG A 486 47.214 19.272 -4.151 1.00 0.00 H new ATOM 0 HB3 ARG A 486 46.331 17.780 -3.896 1.00 0.00 H new ATOM 0 HG2 ARG A 486 44.438 19.590 -3.059 1.00 0.00 H new ATOM 0 HG3 ARG A 486 45.284 20.571 -4.240 1.00 0.00 H new ATOM 0 HD2 ARG A 486 45.085 18.326 -5.743 1.00 0.00 H new ATOM 0 HD3 ARG A 486 43.731 18.003 -4.678 1.00 0.00 H new ATOM 0 HE ARG A 486 44.031 20.512 -6.380 1.00 0.00 H new ATOM 0 HH11 ARG A 486 42.373 19.716 -3.604 1.00 0.00 H new ATOM 0 HH12 ARG A 486 40.750 19.845 -4.290 1.00 0.00 H new ATOM 0 HH21 ARG A 486 41.892 20.056 -7.587 1.00 0.00 H new ATOM 0 HH22 ARG A 486 40.480 20.036 -6.524 1.00 0.00 H new ATOM 1241 N ALA A 487 45.716 17.767 -0.176 1.00 0.00 N ATOM 1242 CA ALA A 487 45.266 16.555 0.571 1.00 0.00 C ATOM 1243 C ALA A 487 43.947 16.036 -0.008 1.00 0.00 C ATOM 1244 O ALA A 487 43.514 16.571 -1.015 1.00 0.00 O ATOM 1245 CB ALA A 487 45.070 17.027 2.013 1.00 0.00 C ATOM 1246 OXT ALA A 487 43.392 15.114 0.566 1.00 0.00 O ATOM 0 H ALA A 487 45.607 18.650 0.323 1.00 0.00 H new ATOM 0 HA ALA A 487 45.985 15.739 0.504 1.00 0.00 H new ATOM 0 HB1 ALA A 487 44.738 16.190 2.628 1.00 0.00 H new ATOM 0 HB2 ALA A 487 46.013 17.411 2.402 1.00 0.00 H new ATOM 0 HB3 ALA A 487 44.319 17.816 2.039 1.00 0.00 H new TER 1252 ALA A 487 HETATM 1253 ZN ZN A 488 64.851 0.399 -5.427 1.00 0.00 ZN HETATM 1254 ZN ZN A 489 55.212 6.732 -3.281 1.00 0.00 ZN