USER MOD reduce.3.24.130724 H: found=0, std=0, add=595, rem=0, adj=19 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 468 HIS : no HE2:sc= -1.71! K(o=-0.56!,f=-3.8) USER MOD Set 1.2: A 473 SER OG : rot 102:sc= 1.14 USER MOD Set 2.1: A 447 SER OG : rot -157:sc= -0.325 USER MOD Set 2.2: A 477 TYR OH : rot 180:sc= 0.0395 USER MOD Set 3.1: A 445 TYR OH : rot 130:sc= -1.61 USER MOD Set 3.2: A 474 ASN : amide:sc= -4.77 K(o=-6.4,f=-9.1) USER MOD Set 4.1: A 420 CYS SG : rot 80:sc= -4.85 USER MOD Set 4.2: A 459 MET CE :methyl -170:sc= -3.96 (180deg=-2.49!) USER MOD Single : A 410 SER OG : rot 16:sc= 1.23 USER MOD Single : A 415 TYR OH : rot 180:sc= 0 USER MOD Single : A 418 THR OG1 : rot 180:sc= 0.0118 USER MOD Single : A 422 THR OG1 : rot -55:sc= 0.656 USER MOD Single : A 428 ASN : amide:sc= 0 K(o=0,f=-0.83) USER MOD Single : A 429 THR OG1 : rot 180:sc= 0 USER MOD Single : A 434 TYR OH : rot 180:sc= -0.272 USER MOD Single : A 435 SER OG : rot 180:sc= 0 USER MOD Single : A 436 THR OG1 : rot 33:sc= 0.587 USER MOD Single : A 439 ASN : amide:sc= -0.136 K(o=-0.14,f=-1.3) USER MOD Single : A 440 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 443 MET CE :methyl -114:sc= -4.82! (180deg=-7.98!) USER MOD Single : A 448 HIS : no HD1:sc= -0.0607 X(o=-0.061,f=-0.39) USER MOD Single : A 457 GLN : amide:sc= -0.0778 K(o=-0.078,f=1) USER MOD Single : A 465 THR OG1 : rot 102:sc= 0.105 USER MOD Single : A 470 SER OG : rot 180:sc= 0 USER MOD Single : A 475 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 476 TYR OH : rot 30:sc= -2.24 USER MOD Single : A 479 ASN : amide:sc=-0.00354 X(o=-0.0035,f=0) USER MOD Single : A 483 GLN : amide:sc= -0.583 K(o=-0.58,f=-0.0032) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 406 54.423 -7.462 12.444 1.00 0.00 N ATOM 2 CA GLY A 406 55.736 -7.845 11.852 1.00 0.00 C ATOM 3 C GLY A 406 55.521 -8.899 10.762 1.00 0.00 C ATOM 4 O GLY A 406 54.547 -9.626 10.789 1.00 0.00 O ATOM 0 HA2 GLY A 406 56.226 -6.967 11.431 1.00 0.00 H new ATOM 0 HA3 GLY A 406 56.395 -8.238 12.627 1.00 0.00 H new ATOM 10 N PRO A 407 56.442 -8.949 9.833 1.00 0.00 N ATOM 11 CA PRO A 407 56.346 -9.929 8.723 1.00 0.00 C ATOM 12 C PRO A 407 56.654 -11.341 9.229 1.00 0.00 C ATOM 13 O PRO A 407 57.799 -11.728 9.358 1.00 0.00 O ATOM 14 CB PRO A 407 57.414 -9.461 7.738 1.00 0.00 C ATOM 15 CG PRO A 407 58.402 -8.705 8.567 1.00 0.00 C ATOM 16 CD PRO A 407 57.644 -8.112 9.727 1.00 0.00 C ATOM 0 HA PRO A 407 55.352 -9.975 8.277 1.00 0.00 H new ATOM 0 HB2 PRO A 407 57.885 -10.306 7.236 1.00 0.00 H new ATOM 0 HB3 PRO A 407 56.984 -8.828 6.962 1.00 0.00 H new ATOM 0 HG2 PRO A 407 59.193 -9.366 8.921 1.00 0.00 H new ATOM 0 HG3 PRO A 407 58.880 -7.922 7.978 1.00 0.00 H new ATOM 0 HD2 PRO A 407 58.232 -8.141 10.644 1.00 0.00 H new ATOM 0 HD3 PRO A 407 57.388 -7.068 9.545 1.00 0.00 H new ATOM 24 N LEU A 408 55.640 -12.113 9.518 1.00 0.00 N ATOM 25 CA LEU A 408 55.873 -13.501 10.015 1.00 0.00 C ATOM 26 C LEU A 408 55.030 -14.497 9.214 1.00 0.00 C ATOM 27 O LEU A 408 54.103 -15.094 9.725 1.00 0.00 O ATOM 28 CB LEU A 408 55.430 -13.475 11.480 1.00 0.00 C ATOM 29 CG LEU A 408 56.656 -13.331 12.383 1.00 0.00 C ATOM 30 CD1 LEU A 408 57.028 -11.852 12.509 1.00 0.00 C ATOM 31 CD2 LEU A 408 56.337 -13.894 13.769 1.00 0.00 C ATOM 0 H LEU A 408 54.660 -11.842 9.431 1.00 0.00 H new ATOM 0 HA LEU A 408 56.913 -13.810 9.910 1.00 0.00 H new ATOM 0 HB2 LEU A 408 54.742 -12.646 11.648 1.00 0.00 H new ATOM 0 HB3 LEU A 408 54.891 -14.391 11.724 1.00 0.00 H new ATOM 0 HG LEU A 408 57.492 -13.880 11.949 1.00 0.00 H new ATOM 0 HD11 LEU A 408 57.902 -11.750 13.153 1.00 0.00 H new ATOM 0 HD12 LEU A 408 57.255 -11.449 11.522 1.00 0.00 H new ATOM 0 HD13 LEU A 408 56.192 -11.302 12.942 1.00 0.00 H new ATOM 0 HD21 LEU A 408 57.210 -13.792 14.413 1.00 0.00 H new ATOM 0 HD22 LEU A 408 55.501 -13.344 14.201 1.00 0.00 H new ATOM 0 HD23 LEU A 408 56.072 -14.948 13.682 1.00 0.00 H new ATOM 43 N GLY A 409 55.347 -14.679 7.960 1.00 0.00 N ATOM 44 CA GLY A 409 54.569 -15.634 7.121 1.00 0.00 C ATOM 45 C GLY A 409 54.921 -15.426 5.647 1.00 0.00 C ATOM 46 O GLY A 409 54.140 -14.891 4.884 1.00 0.00 O ATOM 0 H GLY A 409 56.113 -14.206 7.480 1.00 0.00 H new ATOM 0 HA2 GLY A 409 54.792 -16.659 7.417 1.00 0.00 H new ATOM 0 HA3 GLY A 409 53.501 -15.482 7.275 1.00 0.00 H new ATOM 50 N SER A 410 56.092 -15.842 5.243 1.00 0.00 N ATOM 51 CA SER A 410 56.496 -15.667 3.817 1.00 0.00 C ATOM 52 C SER A 410 57.697 -16.565 3.492 1.00 0.00 C ATOM 53 O SER A 410 58.819 -16.100 3.442 1.00 0.00 O ATOM 54 CB SER A 410 56.877 -14.193 3.693 1.00 0.00 C ATOM 55 OG SER A 410 55.708 -13.427 3.434 1.00 0.00 O ATOM 0 H SER A 410 56.786 -16.295 5.838 1.00 0.00 H new ATOM 0 HA SER A 410 55.700 -15.941 3.125 1.00 0.00 H new ATOM 0 HB2 SER A 410 57.355 -13.850 4.611 1.00 0.00 H new ATOM 0 HB3 SER A 410 57.600 -14.059 2.888 1.00 0.00 H new ATOM 0 HG SER A 410 54.914 -13.963 3.640 1.00 0.00 H new ATOM 61 N PRO A 411 57.422 -17.827 3.279 1.00 0.00 N ATOM 62 CA PRO A 411 58.500 -18.792 2.954 1.00 0.00 C ATOM 63 C PRO A 411 59.002 -18.569 1.524 1.00 0.00 C ATOM 64 O PRO A 411 60.167 -18.752 1.229 1.00 0.00 O ATOM 65 CB PRO A 411 57.818 -20.151 3.085 1.00 0.00 C ATOM 66 CG PRO A 411 56.365 -19.880 2.860 1.00 0.00 C ATOM 67 CD PRO A 411 56.101 -18.469 3.319 1.00 0.00 C ATOM 0 HA PRO A 411 59.372 -18.695 3.601 1.00 0.00 H new ATOM 0 HB2 PRO A 411 58.205 -20.859 2.352 1.00 0.00 H new ATOM 0 HB3 PRO A 411 57.990 -20.585 4.070 1.00 0.00 H new ATOM 0 HG2 PRO A 411 56.110 -19.996 1.807 1.00 0.00 H new ATOM 0 HG3 PRO A 411 55.751 -20.587 3.417 1.00 0.00 H new ATOM 0 HD2 PRO A 411 55.392 -17.963 2.664 1.00 0.00 H new ATOM 0 HD3 PRO A 411 55.678 -18.449 4.323 1.00 0.00 H new ATOM 75 N GLU A 412 58.130 -18.173 0.636 1.00 0.00 N ATOM 76 CA GLU A 412 58.552 -17.934 -0.775 1.00 0.00 C ATOM 77 C GLU A 412 58.209 -16.501 -1.192 1.00 0.00 C ATOM 78 O GLU A 412 57.058 -16.159 -1.381 1.00 0.00 O ATOM 79 CB GLU A 412 57.753 -18.941 -1.604 1.00 0.00 C ATOM 80 CG GLU A 412 58.510 -19.255 -2.895 1.00 0.00 C ATOM 81 CD GLU A 412 57.876 -20.472 -3.573 1.00 0.00 C ATOM 82 OE1 GLU A 412 57.810 -21.512 -2.938 1.00 0.00 O ATOM 83 OE2 GLU A 412 57.469 -20.343 -4.715 1.00 0.00 O ATOM 0 H GLU A 412 57.142 -18.004 0.827 1.00 0.00 H new ATOM 0 HA GLU A 412 59.626 -18.056 -0.912 1.00 0.00 H new ATOM 0 HB2 GLU A 412 57.595 -19.855 -1.031 1.00 0.00 H new ATOM 0 HB3 GLU A 412 56.768 -18.536 -1.837 1.00 0.00 H new ATOM 0 HG2 GLU A 412 58.481 -18.396 -3.565 1.00 0.00 H new ATOM 0 HG3 GLU A 412 59.559 -19.453 -2.675 1.00 0.00 H new ATOM 90 N PHE A 413 59.201 -15.661 -1.336 1.00 0.00 N ATOM 91 CA PHE A 413 58.935 -14.250 -1.740 1.00 0.00 C ATOM 92 C PHE A 413 60.245 -13.557 -2.129 1.00 0.00 C ATOM 93 O PHE A 413 61.198 -13.545 -1.376 1.00 0.00 O ATOM 94 CB PHE A 413 58.329 -13.592 -0.498 1.00 0.00 C ATOM 95 CG PHE A 413 57.357 -12.517 -0.921 1.00 0.00 C ATOM 96 CD1 PHE A 413 57.817 -11.223 -1.192 1.00 0.00 C ATOM 97 CD2 PHE A 413 55.994 -12.814 -1.039 1.00 0.00 C ATOM 98 CE1 PHE A 413 56.915 -10.226 -1.583 1.00 0.00 C ATOM 99 CE2 PHE A 413 55.092 -11.817 -1.431 1.00 0.00 C ATOM 100 CZ PHE A 413 55.552 -10.524 -1.702 1.00 0.00 C ATOM 0 H PHE A 413 60.184 -15.892 -1.191 1.00 0.00 H new ATOM 0 HA PHE A 413 58.272 -14.184 -2.602 1.00 0.00 H new ATOM 0 HB2 PHE A 413 57.819 -14.339 0.110 1.00 0.00 H new ATOM 0 HB3 PHE A 413 59.117 -13.162 0.120 1.00 0.00 H new ATOM 0 HD1 PHE A 413 58.868 -10.994 -1.099 1.00 0.00 H new ATOM 0 HD2 PHE A 413 55.638 -13.812 -0.828 1.00 0.00 H new ATOM 0 HE1 PHE A 413 57.270 -9.228 -1.793 1.00 0.00 H new ATOM 0 HE2 PHE A 413 54.041 -12.046 -1.524 1.00 0.00 H new ATOM 0 HZ PHE A 413 54.856 -9.755 -2.003 1.00 0.00 H new ATOM 110 N GLY A 414 60.296 -12.984 -3.302 1.00 0.00 N ATOM 111 CA GLY A 414 61.543 -12.294 -3.742 1.00 0.00 C ATOM 112 C GLY A 414 61.264 -10.801 -3.927 1.00 0.00 C ATOM 113 O GLY A 414 60.340 -10.415 -4.617 1.00 0.00 O ATOM 0 H GLY A 414 59.529 -12.964 -3.974 1.00 0.00 H new ATOM 0 HA2 GLY A 414 62.331 -12.438 -3.003 1.00 0.00 H new ATOM 0 HA3 GLY A 414 61.900 -12.726 -4.677 1.00 0.00 H new ATOM 117 N TYR A 415 62.054 -9.959 -3.315 1.00 0.00 N ATOM 118 CA TYR A 415 61.835 -8.491 -3.454 1.00 0.00 C ATOM 119 C TYR A 415 62.796 -7.906 -4.493 1.00 0.00 C ATOM 120 O TYR A 415 63.116 -6.733 -4.468 1.00 0.00 O ATOM 121 CB TYR A 415 62.123 -7.916 -2.066 1.00 0.00 C ATOM 122 CG TYR A 415 60.818 -7.674 -1.347 1.00 0.00 C ATOM 123 CD1 TYR A 415 59.824 -6.896 -1.949 1.00 0.00 C ATOM 124 CD2 TYR A 415 60.601 -8.229 -0.080 1.00 0.00 C ATOM 125 CE1 TYR A 415 58.612 -6.671 -1.286 1.00 0.00 C ATOM 126 CE2 TYR A 415 59.389 -8.005 0.584 1.00 0.00 C ATOM 127 CZ TYR A 415 58.394 -7.225 -0.019 1.00 0.00 C ATOM 128 OH TYR A 415 57.200 -7.004 0.635 1.00 0.00 O ATOM 0 H TYR A 415 62.842 -10.225 -2.725 1.00 0.00 H new ATOM 0 HA TYR A 415 60.826 -8.253 -3.792 1.00 0.00 H new ATOM 0 HB2 TYR A 415 62.744 -8.607 -1.495 1.00 0.00 H new ATOM 0 HB3 TYR A 415 62.681 -6.984 -2.154 1.00 0.00 H new ATOM 0 HD1 TYR A 415 59.992 -6.468 -2.926 1.00 0.00 H new ATOM 0 HD2 TYR A 415 61.369 -8.830 0.385 1.00 0.00 H new ATOM 0 HE1 TYR A 415 57.845 -6.070 -1.752 1.00 0.00 H new ATOM 0 HE2 TYR A 415 59.221 -8.434 1.561 1.00 0.00 H new ATOM 0 HH TYR A 415 57.213 -7.460 1.502 1.00 0.00 H new ATOM 138 N TRP A 416 63.250 -8.716 -5.409 1.00 0.00 N ATOM 139 CA TRP A 416 64.186 -8.218 -6.461 1.00 0.00 C ATOM 140 C TRP A 416 63.385 -7.559 -7.588 1.00 0.00 C ATOM 141 O TRP A 416 63.442 -7.975 -8.728 1.00 0.00 O ATOM 142 CB TRP A 416 64.902 -9.473 -6.965 1.00 0.00 C ATOM 143 CG TRP A 416 65.620 -10.113 -5.824 1.00 0.00 C ATOM 144 CD1 TRP A 416 65.398 -11.364 -5.358 1.00 0.00 C ATOM 145 CD2 TRP A 416 66.666 -9.546 -4.989 1.00 0.00 C ATOM 146 NE1 TRP A 416 66.244 -11.599 -4.289 1.00 0.00 N ATOM 147 CE2 TRP A 416 67.046 -10.506 -4.024 1.00 0.00 C ATOM 148 CE3 TRP A 416 67.314 -8.302 -4.980 1.00 0.00 C ATOM 149 CZ2 TRP A 416 68.039 -10.239 -3.080 1.00 0.00 C ATOM 150 CZ3 TRP A 416 68.311 -8.028 -4.036 1.00 0.00 C ATOM 151 CH2 TRP A 416 68.675 -8.993 -3.086 1.00 0.00 C ATOM 0 H TRP A 416 63.013 -9.706 -5.476 1.00 0.00 H new ATOM 0 HA TRP A 416 64.889 -7.472 -6.089 1.00 0.00 H new ATOM 0 HB2 TRP A 416 64.183 -10.170 -7.396 1.00 0.00 H new ATOM 0 HB3 TRP A 416 65.606 -9.213 -7.755 1.00 0.00 H new ATOM 0 HD1 TRP A 416 64.678 -12.064 -5.756 1.00 0.00 H new ATOM 0 HE1 TRP A 416 66.272 -12.472 -3.762 1.00 0.00 H new ATOM 0 HE3 TRP A 416 67.042 -7.550 -5.706 1.00 0.00 H new ATOM 0 HZ2 TRP A 416 68.314 -10.988 -2.352 1.00 0.00 H new ATOM 0 HZ3 TRP A 416 68.803 -7.067 -4.040 1.00 0.00 H new ATOM 0 HH2 TRP A 416 69.445 -8.775 -2.360 1.00 0.00 H new ATOM 162 N ILE A 417 62.624 -6.543 -7.270 1.00 0.00 N ATOM 163 CA ILE A 417 61.802 -5.868 -8.319 1.00 0.00 C ATOM 164 C ILE A 417 62.157 -4.382 -8.424 1.00 0.00 C ATOM 165 O ILE A 417 63.216 -3.953 -8.008 1.00 0.00 O ATOM 166 CB ILE A 417 60.353 -6.043 -7.852 1.00 0.00 C ATOM 167 CG1 ILE A 417 60.151 -5.323 -6.514 1.00 0.00 C ATOM 168 CG2 ILE A 417 60.053 -7.530 -7.673 1.00 0.00 C ATOM 169 CD1 ILE A 417 58.671 -5.362 -6.132 1.00 0.00 C ATOM 0 H ILE A 417 62.536 -6.153 -6.332 1.00 0.00 H new ATOM 0 HA ILE A 417 61.974 -6.294 -9.307 1.00 0.00 H new ATOM 0 HB ILE A 417 59.681 -5.619 -8.598 1.00 0.00 H new ATOM 0 HG12 ILE A 417 60.750 -5.800 -5.738 1.00 0.00 H new ATOM 0 HG13 ILE A 417 60.491 -4.290 -6.590 1.00 0.00 H new ATOM 0 HG21 ILE A 417 59.023 -7.656 -7.341 1.00 0.00 H new ATOM 0 HG22 ILE A 417 60.194 -8.046 -8.622 1.00 0.00 H new ATOM 0 HG23 ILE A 417 60.728 -7.950 -6.928 1.00 0.00 H new ATOM 0 HD11 ILE A 417 58.527 -4.850 -5.181 1.00 0.00 H new ATOM 0 HD12 ILE A 417 58.083 -4.865 -6.904 1.00 0.00 H new ATOM 0 HD13 ILE A 417 58.346 -6.398 -6.039 1.00 0.00 H new ATOM 181 N THR A 418 61.273 -3.597 -8.980 1.00 0.00 N ATOM 182 CA THR A 418 61.543 -2.136 -9.123 1.00 0.00 C ATOM 183 C THR A 418 60.881 -1.361 -7.980 1.00 0.00 C ATOM 184 O THR A 418 60.129 -1.909 -7.198 1.00 0.00 O ATOM 185 CB THR A 418 60.923 -1.740 -10.468 1.00 0.00 C ATOM 186 OG1 THR A 418 60.814 -2.885 -11.303 1.00 0.00 O ATOM 187 CG2 THR A 418 61.806 -0.695 -11.150 1.00 0.00 C ATOM 0 H THR A 418 60.371 -3.906 -9.343 1.00 0.00 H new ATOM 0 HA THR A 418 62.609 -1.911 -9.086 1.00 0.00 H new ATOM 0 HB THR A 418 59.931 -1.323 -10.297 1.00 0.00 H new ATOM 0 HG1 THR A 418 60.416 -2.628 -12.161 1.00 0.00 H new ATOM 0 HG21 THR A 418 61.365 -0.414 -12.106 1.00 0.00 H new ATOM 0 HG22 THR A 418 61.884 0.186 -10.513 1.00 0.00 H new ATOM 0 HG23 THR A 418 62.799 -1.111 -11.317 1.00 0.00 H new ATOM 195 N CYS A 419 61.163 -0.090 -7.876 1.00 0.00 N ATOM 196 CA CYS A 419 60.561 0.729 -6.781 1.00 0.00 C ATOM 197 C CYS A 419 60.520 2.217 -7.176 1.00 0.00 C ATOM 198 O CYS A 419 60.263 3.076 -6.355 1.00 0.00 O ATOM 199 CB CYS A 419 61.483 0.472 -5.576 1.00 0.00 C ATOM 200 SG CYS A 419 62.669 1.824 -5.352 1.00 0.00 S ATOM 0 H CYS A 419 61.786 0.419 -8.503 1.00 0.00 H new ATOM 0 HA CYS A 419 59.527 0.463 -6.562 1.00 0.00 H new ATOM 0 HB2 CYS A 419 60.882 0.360 -4.674 1.00 0.00 H new ATOM 0 HB3 CYS A 419 62.020 -0.465 -5.720 1.00 0.00 H new ATOM 205 N CYS A 420 60.771 2.526 -8.425 1.00 0.00 N ATOM 206 CA CYS A 420 60.750 3.952 -8.875 1.00 0.00 C ATOM 207 C CYS A 420 61.081 4.019 -10.375 1.00 0.00 C ATOM 208 O CYS A 420 61.185 2.996 -11.022 1.00 0.00 O ATOM 209 CB CYS A 420 61.836 4.646 -8.044 1.00 0.00 C ATOM 210 SG CYS A 420 61.097 5.985 -7.071 1.00 0.00 S ATOM 0 H CYS A 420 60.990 1.848 -9.155 1.00 0.00 H new ATOM 0 HA CYS A 420 59.778 4.426 -8.737 1.00 0.00 H new ATOM 0 HB2 CYS A 420 62.318 3.926 -7.383 1.00 0.00 H new ATOM 0 HB3 CYS A 420 62.610 5.044 -8.700 1.00 0.00 H new ATOM 0 HG CYS A 420 60.525 5.489 -6.014 1.00 0.00 H new ATOM 216 N PRO A 421 61.239 5.217 -10.888 1.00 0.00 N ATOM 217 CA PRO A 421 61.561 5.378 -12.324 1.00 0.00 C ATOM 218 C PRO A 421 63.055 5.125 -12.579 1.00 0.00 C ATOM 219 O PRO A 421 63.522 5.199 -13.699 1.00 0.00 O ATOM 220 CB PRO A 421 61.190 6.828 -12.615 1.00 0.00 C ATOM 221 CG PRO A 421 61.280 7.539 -11.299 1.00 0.00 C ATOM 222 CD PRO A 421 61.133 6.511 -10.202 1.00 0.00 C ATOM 0 HA PRO A 421 61.029 4.673 -12.962 1.00 0.00 H new ATOM 0 HB2 PRO A 421 61.870 7.267 -13.345 1.00 0.00 H new ATOM 0 HB3 PRO A 421 60.185 6.900 -13.031 1.00 0.00 H new ATOM 0 HG2 PRO A 421 62.235 8.057 -11.210 1.00 0.00 H new ATOM 0 HG3 PRO A 421 60.499 8.295 -11.220 1.00 0.00 H new ATOM 0 HD2 PRO A 421 61.911 6.624 -9.447 1.00 0.00 H new ATOM 0 HD3 PRO A 421 60.175 6.611 -9.691 1.00 0.00 H new ATOM 230 N THR A 422 63.806 4.824 -11.550 1.00 0.00 N ATOM 231 CA THR A 422 65.264 4.562 -11.733 1.00 0.00 C ATOM 232 C THR A 422 65.751 3.575 -10.666 1.00 0.00 C ATOM 233 O THR A 422 66.764 3.785 -10.028 1.00 0.00 O ATOM 234 CB THR A 422 65.940 5.924 -11.559 1.00 0.00 C ATOM 235 OG1 THR A 422 67.343 5.777 -11.720 1.00 0.00 O ATOM 236 CG2 THR A 422 65.639 6.480 -10.165 1.00 0.00 C ATOM 0 H THR A 422 63.471 4.749 -10.590 1.00 0.00 H new ATOM 0 HA THR A 422 65.491 4.123 -12.704 1.00 0.00 H new ATOM 0 HB THR A 422 65.556 6.615 -12.309 1.00 0.00 H new ATOM 0 HG1 THR A 422 67.674 5.095 -11.099 1.00 0.00 H new ATOM 0 HG21 THR A 422 66.123 7.450 -10.048 1.00 0.00 H new ATOM 0 HG22 THR A 422 64.562 6.595 -10.044 1.00 0.00 H new ATOM 0 HG23 THR A 422 66.017 5.792 -9.409 1.00 0.00 H new ATOM 244 N CYS A 423 65.028 2.506 -10.465 1.00 0.00 N ATOM 245 CA CYS A 423 65.434 1.504 -9.436 1.00 0.00 C ATOM 246 C CYS A 423 66.420 0.493 -10.028 1.00 0.00 C ATOM 247 O CYS A 423 66.523 0.339 -11.230 1.00 0.00 O ATOM 248 CB CYS A 423 64.129 0.812 -9.034 1.00 0.00 C ATOM 249 SG CYS A 423 64.465 -0.473 -7.804 1.00 0.00 S ATOM 0 H CYS A 423 64.171 2.282 -10.971 1.00 0.00 H new ATOM 0 HA CYS A 423 65.936 1.965 -8.586 1.00 0.00 H new ATOM 0 HB2 CYS A 423 63.430 1.543 -8.627 1.00 0.00 H new ATOM 0 HB3 CYS A 423 63.655 0.372 -9.912 1.00 0.00 H new ATOM 254 N ASP A 424 67.144 -0.197 -9.188 1.00 0.00 N ATOM 255 CA ASP A 424 68.124 -1.204 -9.686 1.00 0.00 C ATOM 256 C ASP A 424 68.499 -2.173 -8.561 1.00 0.00 C ATOM 257 O ASP A 424 69.616 -2.647 -8.484 1.00 0.00 O ATOM 258 CB ASP A 424 69.342 -0.389 -10.120 1.00 0.00 C ATOM 259 CG ASP A 424 69.224 -0.046 -11.607 1.00 0.00 C ATOM 260 OD1 ASP A 424 69.312 -0.957 -12.413 1.00 0.00 O ATOM 261 OD2 ASP A 424 69.048 1.122 -11.913 1.00 0.00 O ATOM 0 H ASP A 424 67.098 -0.106 -8.173 1.00 0.00 H new ATOM 0 HA ASP A 424 67.724 -1.804 -10.503 1.00 0.00 H new ATOM 0 HB2 ASP A 424 69.410 0.525 -9.530 1.00 0.00 H new ATOM 0 HB3 ASP A 424 70.255 -0.955 -9.938 1.00 0.00 H new ATOM 266 N VAL A 425 67.573 -2.468 -7.685 1.00 0.00 N ATOM 267 CA VAL A 425 67.874 -3.404 -6.560 1.00 0.00 C ATOM 268 C VAL A 425 67.971 -4.843 -7.077 1.00 0.00 C ATOM 269 O VAL A 425 67.033 -5.383 -7.631 1.00 0.00 O ATOM 270 CB VAL A 425 66.702 -3.235 -5.581 1.00 0.00 C ATOM 271 CG1 VAL A 425 66.550 -4.479 -4.699 1.00 0.00 C ATOM 272 CG2 VAL A 425 66.973 -2.024 -4.689 1.00 0.00 C ATOM 0 H VAL A 425 66.621 -2.101 -7.700 1.00 0.00 H new ATOM 0 HA VAL A 425 68.829 -3.189 -6.080 1.00 0.00 H new ATOM 0 HB VAL A 425 65.784 -3.094 -6.151 1.00 0.00 H new ATOM 0 HG11 VAL A 425 65.715 -4.339 -4.013 1.00 0.00 H new ATOM 0 HG12 VAL A 425 66.361 -5.350 -5.327 1.00 0.00 H new ATOM 0 HG13 VAL A 425 67.466 -4.635 -4.129 1.00 0.00 H new ATOM 0 HG21 VAL A 425 66.147 -1.895 -3.990 1.00 0.00 H new ATOM 0 HG22 VAL A 425 67.897 -2.181 -4.133 1.00 0.00 H new ATOM 0 HG23 VAL A 425 67.068 -1.131 -5.307 1.00 0.00 H new ATOM 282 N ASP A 426 69.104 -5.462 -6.893 1.00 0.00 N ATOM 283 CA ASP A 426 69.285 -6.865 -7.360 1.00 0.00 C ATOM 284 C ASP A 426 70.416 -7.526 -6.571 1.00 0.00 C ATOM 285 O ASP A 426 71.471 -6.951 -6.391 1.00 0.00 O ATOM 286 CB ASP A 426 69.656 -6.748 -8.839 1.00 0.00 C ATOM 287 CG ASP A 426 69.134 -7.970 -9.596 1.00 0.00 C ATOM 288 OD1 ASP A 426 69.427 -9.075 -9.170 1.00 0.00 O ATOM 289 OD2 ASP A 426 68.451 -7.780 -10.588 1.00 0.00 O ATOM 0 H ASP A 426 69.919 -5.053 -6.436 1.00 0.00 H new ATOM 0 HA ASP A 426 68.392 -7.473 -7.217 1.00 0.00 H new ATOM 0 HB2 ASP A 426 69.230 -5.837 -9.260 1.00 0.00 H new ATOM 0 HB3 ASP A 426 70.738 -6.674 -8.948 1.00 0.00 H new ATOM 294 N ILE A 427 70.205 -8.723 -6.093 1.00 0.00 N ATOM 295 CA ILE A 427 71.272 -9.413 -5.306 1.00 0.00 C ATOM 296 C ILE A 427 72.590 -9.428 -6.086 1.00 0.00 C ATOM 297 O ILE A 427 73.660 -9.378 -5.510 1.00 0.00 O ATOM 298 CB ILE A 427 70.752 -10.833 -5.083 1.00 0.00 C ATOM 299 CG1 ILE A 427 71.754 -11.612 -4.224 1.00 0.00 C ATOM 300 CG2 ILE A 427 70.570 -11.537 -6.430 1.00 0.00 C ATOM 301 CD1 ILE A 427 71.152 -11.870 -2.841 1.00 0.00 C ATOM 0 H ILE A 427 69.342 -9.253 -6.212 1.00 0.00 H new ATOM 0 HA ILE A 427 71.477 -8.907 -4.363 1.00 0.00 H new ATOM 0 HB ILE A 427 69.790 -10.790 -4.572 1.00 0.00 H new ATOM 0 HG12 ILE A 427 72.003 -12.558 -4.705 1.00 0.00 H new ATOM 0 HG13 ILE A 427 72.682 -11.048 -4.129 1.00 0.00 H new ATOM 0 HG21 ILE A 427 70.199 -12.549 -6.265 1.00 0.00 H new ATOM 0 HG22 ILE A 427 69.854 -10.983 -7.036 1.00 0.00 H new ATOM 0 HG23 ILE A 427 71.527 -11.582 -6.949 1.00 0.00 H new ATOM 0 HD11 ILE A 427 71.866 -12.424 -2.231 1.00 0.00 H new ATOM 0 HD12 ILE A 427 70.925 -10.919 -2.360 1.00 0.00 H new ATOM 0 HD13 ILE A 427 70.236 -12.451 -2.946 1.00 0.00 H new ATOM 313 N ASN A 428 72.523 -9.484 -7.392 1.00 0.00 N ATOM 314 CA ASN A 428 73.778 -9.488 -8.202 1.00 0.00 C ATOM 315 C ASN A 428 74.643 -8.283 -7.817 1.00 0.00 C ATOM 316 O ASN A 428 75.851 -8.304 -7.949 1.00 0.00 O ATOM 317 CB ASN A 428 73.317 -9.374 -9.657 1.00 0.00 C ATOM 318 CG ASN A 428 74.511 -9.589 -10.590 1.00 0.00 C ATOM 319 OD1 ASN A 428 75.350 -10.430 -10.336 1.00 0.00 O ATOM 320 ND2 ASN A 428 74.625 -8.858 -11.665 1.00 0.00 N ATOM 0 H ASN A 428 71.658 -9.527 -7.930 1.00 0.00 H new ATOM 0 HA ASN A 428 74.377 -10.384 -8.039 1.00 0.00 H new ATOM 0 HB2 ASN A 428 72.543 -10.113 -9.863 1.00 0.00 H new ATOM 0 HB3 ASN A 428 72.876 -8.393 -9.834 1.00 0.00 H new ATOM 0 HD21 ASN A 428 75.418 -8.993 -12.292 1.00 0.00 H new ATOM 0 HD22 ASN A 428 73.921 -8.152 -11.879 1.00 0.00 H new ATOM 327 N THR A 429 74.025 -7.240 -7.329 1.00 0.00 N ATOM 328 CA THR A 429 74.793 -6.032 -6.918 1.00 0.00 C ATOM 329 C THR A 429 74.231 -5.475 -5.603 1.00 0.00 C ATOM 330 O THR A 429 74.507 -4.352 -5.227 1.00 0.00 O ATOM 331 CB THR A 429 74.591 -5.027 -8.055 1.00 0.00 C ATOM 332 OG1 THR A 429 73.208 -4.943 -8.370 1.00 0.00 O ATOM 333 CG2 THR A 429 75.370 -5.486 -9.287 1.00 0.00 C ATOM 0 H THR A 429 73.016 -7.174 -7.197 1.00 0.00 H new ATOM 0 HA THR A 429 75.848 -6.249 -6.750 1.00 0.00 H new ATOM 0 HB THR A 429 74.953 -4.047 -7.744 1.00 0.00 H new ATOM 0 HG1 THR A 429 73.077 -4.299 -9.097 1.00 0.00 H new ATOM 0 HG21 THR A 429 75.226 -4.770 -10.096 1.00 0.00 H new ATOM 0 HG22 THR A 429 76.431 -5.550 -9.044 1.00 0.00 H new ATOM 0 HG23 THR A 429 75.010 -6.466 -9.601 1.00 0.00 H new ATOM 341 N TRP A 430 73.445 -6.253 -4.901 1.00 0.00 N ATOM 342 CA TRP A 430 72.867 -5.769 -3.613 1.00 0.00 C ATOM 343 C TRP A 430 73.425 -6.575 -2.441 1.00 0.00 C ATOM 344 O TRP A 430 74.009 -7.627 -2.616 1.00 0.00 O ATOM 345 CB TRP A 430 71.365 -6.012 -3.720 1.00 0.00 C ATOM 346 CG TRP A 430 70.679 -5.336 -2.587 1.00 0.00 C ATOM 347 CD1 TRP A 430 70.261 -4.049 -2.539 1.00 0.00 C ATOM 348 CD2 TRP A 430 70.338 -5.925 -1.331 1.00 0.00 C ATOM 349 NE1 TRP A 430 69.677 -3.827 -1.299 1.00 0.00 N ATOM 350 CE2 TRP A 430 69.704 -4.968 -0.517 1.00 0.00 C ATOM 351 CE3 TRP A 430 70.531 -7.205 -0.845 1.00 0.00 C ATOM 352 CZ2 TRP A 430 69.268 -5.289 0.770 1.00 0.00 C ATOM 353 CZ3 TRP A 430 70.100 -7.548 0.446 1.00 0.00 C ATOM 354 CH2 TRP A 430 69.468 -6.588 1.256 1.00 0.00 C ATOM 0 H TRP A 430 73.180 -7.202 -5.165 1.00 0.00 H new ATOM 0 HA TRP A 430 73.108 -4.720 -3.441 1.00 0.00 H new ATOM 0 HB2 TRP A 430 70.989 -5.629 -4.669 1.00 0.00 H new ATOM 0 HB3 TRP A 430 71.155 -7.081 -3.702 1.00 0.00 H new ATOM 0 HD1 TRP A 430 70.364 -3.320 -3.329 1.00 0.00 H new ATOM 0 HE1 TRP A 430 69.279 -2.936 -1.002 1.00 0.00 H new ATOM 0 HE3 TRP A 430 71.017 -7.946 -1.463 1.00 0.00 H new ATOM 0 HZ2 TRP A 430 68.782 -4.545 1.384 1.00 0.00 H new ATOM 0 HZ3 TRP A 430 70.254 -8.550 0.818 1.00 0.00 H new ATOM 0 HH2 TRP A 430 69.138 -6.851 2.250 1.00 0.00 H new ATOM 365 N VAL A 431 73.230 -6.092 -1.244 1.00 0.00 N ATOM 366 CA VAL A 431 73.727 -6.822 -0.042 1.00 0.00 C ATOM 367 C VAL A 431 72.901 -6.424 1.187 1.00 0.00 C ATOM 368 O VAL A 431 72.205 -5.428 1.164 1.00 0.00 O ATOM 369 CB VAL A 431 75.181 -6.379 0.136 1.00 0.00 C ATOM 370 CG1 VAL A 431 76.028 -6.880 -1.036 1.00 0.00 C ATOM 371 CG2 VAL A 431 75.251 -4.850 0.198 1.00 0.00 C ATOM 0 H VAL A 431 72.744 -5.217 -1.046 1.00 0.00 H new ATOM 0 HA VAL A 431 73.646 -7.903 -0.159 1.00 0.00 H new ATOM 0 HB VAL A 431 75.568 -6.799 1.064 1.00 0.00 H new ATOM 0 HG11 VAL A 431 77.061 -6.560 -0.901 1.00 0.00 H new ATOM 0 HG12 VAL A 431 75.987 -7.969 -1.075 1.00 0.00 H new ATOM 0 HG13 VAL A 431 75.640 -6.469 -1.968 1.00 0.00 H new ATOM 0 HG21 VAL A 431 76.288 -4.538 0.325 1.00 0.00 H new ATOM 0 HG22 VAL A 431 74.856 -4.430 -0.727 1.00 0.00 H new ATOM 0 HG23 VAL A 431 74.659 -4.493 1.040 1.00 0.00 H new ATOM 381 N PRO A 432 73.005 -7.211 2.229 1.00 0.00 N ATOM 382 CA PRO A 432 72.254 -6.918 3.474 1.00 0.00 C ATOM 383 C PRO A 432 72.864 -5.709 4.189 1.00 0.00 C ATOM 384 O PRO A 432 73.881 -5.813 4.847 1.00 0.00 O ATOM 385 CB PRO A 432 72.426 -8.187 4.305 1.00 0.00 C ATOM 386 CG PRO A 432 73.687 -8.811 3.800 1.00 0.00 C ATOM 387 CD PRO A 432 73.817 -8.430 2.348 1.00 0.00 C ATOM 0 HA PRO A 432 71.207 -6.672 3.297 1.00 0.00 H new ATOM 0 HB2 PRO A 432 72.498 -7.956 5.368 1.00 0.00 H new ATOM 0 HB3 PRO A 432 71.576 -8.858 4.181 1.00 0.00 H new ATOM 0 HG2 PRO A 432 74.547 -8.458 4.370 1.00 0.00 H new ATOM 0 HG3 PRO A 432 73.653 -9.895 3.913 1.00 0.00 H new ATOM 0 HD2 PRO A 432 74.856 -8.246 2.075 1.00 0.00 H new ATOM 0 HD3 PRO A 432 73.450 -9.220 1.693 1.00 0.00 H new ATOM 395 N PHE A 433 72.249 -4.564 4.062 1.00 0.00 N ATOM 396 CA PHE A 433 72.788 -3.343 4.728 1.00 0.00 C ATOM 397 C PHE A 433 72.132 -3.151 6.098 1.00 0.00 C ATOM 398 O PHE A 433 72.698 -2.544 6.988 1.00 0.00 O ATOM 399 CB PHE A 433 72.417 -2.190 3.795 1.00 0.00 C ATOM 400 CG PHE A 433 73.530 -1.170 3.784 1.00 0.00 C ATOM 401 CD1 PHE A 433 74.663 -1.380 2.989 1.00 0.00 C ATOM 402 CD2 PHE A 433 73.429 -0.015 4.568 1.00 0.00 C ATOM 403 CE1 PHE A 433 75.695 -0.436 2.980 1.00 0.00 C ATOM 404 CE2 PHE A 433 74.461 0.930 4.559 1.00 0.00 C ATOM 405 CZ PHE A 433 75.594 0.720 3.764 1.00 0.00 C ATOM 0 H PHE A 433 71.394 -4.421 3.524 1.00 0.00 H new ATOM 0 HA PHE A 433 73.863 -3.406 4.897 1.00 0.00 H new ATOM 0 HB2 PHE A 433 72.244 -2.566 2.787 1.00 0.00 H new ATOM 0 HB3 PHE A 433 71.488 -1.726 4.125 1.00 0.00 H new ATOM 0 HD1 PHE A 433 74.740 -2.271 2.383 1.00 0.00 H new ATOM 0 HD2 PHE A 433 72.554 0.147 5.180 1.00 0.00 H new ATOM 0 HE1 PHE A 433 76.570 -0.599 2.368 1.00 0.00 H new ATOM 0 HE2 PHE A 433 74.383 1.821 5.165 1.00 0.00 H new ATOM 0 HZ PHE A 433 76.390 1.450 3.755 1.00 0.00 H new ATOM 415 N TYR A 434 70.942 -3.658 6.271 1.00 0.00 N ATOM 416 CA TYR A 434 70.242 -3.500 7.580 1.00 0.00 C ATOM 417 C TYR A 434 70.734 -4.557 8.574 1.00 0.00 C ATOM 418 O TYR A 434 71.040 -5.674 8.205 1.00 0.00 O ATOM 419 CB TYR A 434 68.755 -3.705 7.269 1.00 0.00 C ATOM 420 CG TYR A 434 68.382 -2.932 6.025 1.00 0.00 C ATOM 421 CD1 TYR A 434 68.359 -1.533 6.048 1.00 0.00 C ATOM 422 CD2 TYR A 434 68.068 -3.618 4.845 1.00 0.00 C ATOM 423 CE1 TYR A 434 68.021 -0.819 4.891 1.00 0.00 C ATOM 424 CE2 TYR A 434 67.729 -2.905 3.689 1.00 0.00 C ATOM 425 CZ TYR A 434 67.706 -1.505 3.712 1.00 0.00 C ATOM 426 OH TYR A 434 67.372 -0.803 2.573 1.00 0.00 O ATOM 0 H TYR A 434 70.423 -4.176 5.562 1.00 0.00 H new ATOM 0 HA TYR A 434 70.431 -2.526 8.032 1.00 0.00 H new ATOM 0 HB2 TYR A 434 68.547 -4.765 7.126 1.00 0.00 H new ATOM 0 HB3 TYR A 434 68.148 -3.372 8.111 1.00 0.00 H new ATOM 0 HD1 TYR A 434 68.602 -1.004 6.958 1.00 0.00 H new ATOM 0 HD2 TYR A 434 68.087 -4.698 4.827 1.00 0.00 H new ATOM 0 HE1 TYR A 434 68.003 0.261 4.909 1.00 0.00 H new ATOM 0 HE2 TYR A 434 67.485 -3.434 2.780 1.00 0.00 H new ATOM 0 HH TYR A 434 67.183 -1.431 1.845 1.00 0.00 H new ATOM 436 N SER A 435 70.815 -4.210 9.830 1.00 0.00 N ATOM 437 CA SER A 435 71.290 -5.191 10.850 1.00 0.00 C ATOM 438 C SER A 435 70.191 -6.214 11.169 1.00 0.00 C ATOM 439 O SER A 435 70.432 -7.204 11.832 1.00 0.00 O ATOM 440 CB SER A 435 71.611 -4.352 12.087 1.00 0.00 C ATOM 441 OG SER A 435 72.839 -3.667 11.883 1.00 0.00 O ATOM 0 H SER A 435 70.573 -3.289 10.195 1.00 0.00 H new ATOM 0 HA SER A 435 72.154 -5.756 10.500 1.00 0.00 H new ATOM 0 HB2 SER A 435 70.809 -3.638 12.274 1.00 0.00 H new ATOM 0 HB3 SER A 435 71.680 -4.992 12.967 1.00 0.00 H new ATOM 0 HG SER A 435 73.047 -3.127 12.673 1.00 0.00 H new ATOM 447 N THR A 436 68.991 -5.985 10.704 1.00 0.00 N ATOM 448 CA THR A 436 67.885 -6.947 10.986 1.00 0.00 C ATOM 449 C THR A 436 67.717 -7.922 9.818 1.00 0.00 C ATOM 450 O THR A 436 67.265 -9.037 9.989 1.00 0.00 O ATOM 451 CB THR A 436 66.633 -6.082 11.147 1.00 0.00 C ATOM 452 OG1 THR A 436 66.594 -5.108 10.110 1.00 0.00 O ATOM 453 CG2 THR A 436 66.663 -5.388 12.511 1.00 0.00 C ATOM 0 H THR A 436 68.729 -5.175 10.142 1.00 0.00 H new ATOM 0 HA THR A 436 68.081 -7.548 11.874 1.00 0.00 H new ATOM 0 HB THR A 436 65.744 -6.710 11.084 1.00 0.00 H new ATOM 0 HG1 THR A 436 66.996 -5.480 9.297 1.00 0.00 H new ATOM 0 HG21 THR A 436 65.771 -4.772 12.625 1.00 0.00 H new ATOM 0 HG22 THR A 436 66.689 -6.139 13.301 1.00 0.00 H new ATOM 0 HG23 THR A 436 67.550 -4.758 12.579 1.00 0.00 H new ATOM 461 N GLU A 437 68.081 -7.512 8.632 1.00 0.00 N ATOM 462 CA GLU A 437 67.945 -8.416 7.453 1.00 0.00 C ATOM 463 C GLU A 437 69.264 -9.149 7.196 1.00 0.00 C ATOM 464 O GLU A 437 70.332 -8.632 7.458 1.00 0.00 O ATOM 465 CB GLU A 437 67.607 -7.493 6.281 1.00 0.00 C ATOM 466 CG GLU A 437 66.100 -7.238 6.247 1.00 0.00 C ATOM 467 CD GLU A 437 65.700 -6.372 7.442 1.00 0.00 C ATOM 468 OE1 GLU A 437 66.330 -5.346 7.643 1.00 0.00 O ATOM 469 OE2 GLU A 437 64.770 -6.747 8.137 1.00 0.00 O ATOM 0 H GLU A 437 68.467 -6.590 8.429 1.00 0.00 H new ATOM 0 HA GLU A 437 67.181 -9.179 7.603 1.00 0.00 H new ATOM 0 HB2 GLU A 437 68.143 -6.550 6.382 1.00 0.00 H new ATOM 0 HB3 GLU A 437 67.931 -7.945 5.344 1.00 0.00 H new ATOM 0 HG2 GLU A 437 65.826 -6.741 5.317 1.00 0.00 H new ATOM 0 HG3 GLU A 437 65.560 -8.184 6.274 1.00 0.00 H new ATOM 476 N LEU A 438 69.197 -10.349 6.686 1.00 0.00 N ATOM 477 CA LEU A 438 70.447 -11.117 6.412 1.00 0.00 C ATOM 478 C LEU A 438 70.769 -11.087 4.916 1.00 0.00 C ATOM 479 O LEU A 438 71.914 -11.175 4.516 1.00 0.00 O ATOM 480 CB LEU A 438 70.143 -12.545 6.866 1.00 0.00 C ATOM 481 CG LEU A 438 71.404 -13.402 6.738 1.00 0.00 C ATOM 482 CD1 LEU A 438 72.385 -13.038 7.853 1.00 0.00 C ATOM 483 CD2 LEU A 438 71.028 -14.881 6.854 1.00 0.00 C ATOM 0 H LEU A 438 68.331 -10.831 6.447 1.00 0.00 H new ATOM 0 HA LEU A 438 71.310 -10.699 6.931 1.00 0.00 H new ATOM 0 HB2 LEU A 438 69.795 -12.543 7.899 1.00 0.00 H new ATOM 0 HB3 LEU A 438 69.341 -12.967 6.261 1.00 0.00 H new ATOM 0 HG LEU A 438 71.871 -13.219 5.770 1.00 0.00 H new ATOM 0 HD11 LEU A 438 73.283 -13.649 7.761 1.00 0.00 H new ATOM 0 HD12 LEU A 438 72.653 -11.985 7.772 1.00 0.00 H new ATOM 0 HD13 LEU A 438 71.919 -13.221 8.821 1.00 0.00 H new ATOM 0 HD21 LEU A 438 71.925 -15.493 6.763 1.00 0.00 H new ATOM 0 HD22 LEU A 438 70.561 -15.063 7.822 1.00 0.00 H new ATOM 0 HD23 LEU A 438 70.329 -15.142 6.060 1.00 0.00 H new ATOM 495 N ASN A 439 69.767 -10.963 4.086 1.00 0.00 N ATOM 496 CA ASN A 439 70.013 -10.927 2.614 1.00 0.00 C ATOM 497 C ASN A 439 68.739 -10.514 1.873 1.00 0.00 C ATOM 498 O ASN A 439 68.309 -11.172 0.945 1.00 0.00 O ATOM 499 CB ASN A 439 70.406 -12.359 2.244 1.00 0.00 C ATOM 500 CG ASN A 439 71.571 -12.332 1.252 1.00 0.00 C ATOM 501 OD1 ASN A 439 71.782 -11.348 0.571 1.00 0.00 O ATOM 502 ND2 ASN A 439 72.341 -13.380 1.141 1.00 0.00 N ATOM 0 H ASN A 439 68.789 -10.885 4.364 1.00 0.00 H new ATOM 0 HA ASN A 439 70.785 -10.207 2.343 1.00 0.00 H new ATOM 0 HB2 ASN A 439 70.690 -12.912 3.139 1.00 0.00 H new ATOM 0 HB3 ASN A 439 69.554 -12.879 1.806 1.00 0.00 H new ATOM 0 HD21 ASN A 439 73.120 -13.373 0.483 1.00 0.00 H new ATOM 0 HD22 ASN A 439 72.164 -14.206 1.713 1.00 0.00 H new ATOM 509 N LYS A 440 68.130 -9.429 2.274 1.00 0.00 N ATOM 510 CA LYS A 440 66.883 -8.977 1.589 1.00 0.00 C ATOM 511 C LYS A 440 66.615 -7.494 1.886 1.00 0.00 C ATOM 512 O LYS A 440 66.791 -7.048 3.002 1.00 0.00 O ATOM 513 CB LYS A 440 65.770 -9.855 2.170 1.00 0.00 C ATOM 514 CG LYS A 440 65.698 -9.668 3.689 1.00 0.00 C ATOM 515 CD LYS A 440 65.421 -11.016 4.357 1.00 0.00 C ATOM 516 CE LYS A 440 63.908 -11.236 4.464 1.00 0.00 C ATOM 517 NZ LYS A 440 63.591 -11.038 5.906 1.00 0.00 N ATOM 0 H LYS A 440 68.441 -8.837 3.044 1.00 0.00 H new ATOM 0 HA LYS A 440 66.952 -9.071 0.505 1.00 0.00 H new ATOM 0 HB2 LYS A 440 64.814 -9.593 1.717 1.00 0.00 H new ATOM 0 HB3 LYS A 440 65.959 -10.902 1.932 1.00 0.00 H new ATOM 0 HG2 LYS A 440 66.635 -9.252 4.060 1.00 0.00 H new ATOM 0 HG3 LYS A 440 64.912 -8.957 3.942 1.00 0.00 H new ATOM 0 HD2 LYS A 440 65.875 -11.820 3.778 1.00 0.00 H new ATOM 0 HD3 LYS A 440 65.873 -11.042 5.348 1.00 0.00 H new ATOM 0 HE2 LYS A 440 63.361 -10.530 3.839 1.00 0.00 H new ATOM 0 HE3 LYS A 440 63.630 -12.237 4.133 1.00 0.00 H new ATOM 0 HZ1 LYS A 440 62.571 -11.172 6.059 1.00 0.00 H new ATOM 0 HZ2 LYS A 440 64.120 -11.728 6.476 1.00 0.00 H new ATOM 0 HZ3 LYS A 440 63.860 -10.075 6.191 1.00 0.00 H new ATOM 531 N PRO A 441 66.196 -6.775 0.872 1.00 0.00 N ATOM 532 CA PRO A 441 65.902 -5.328 1.036 1.00 0.00 C ATOM 533 C PRO A 441 64.626 -5.117 1.856 1.00 0.00 C ATOM 534 O PRO A 441 63.596 -5.700 1.579 1.00 0.00 O ATOM 535 CB PRO A 441 65.705 -4.835 -0.395 1.00 0.00 C ATOM 536 CG PRO A 441 65.301 -6.048 -1.170 1.00 0.00 C ATOM 537 CD PRO A 441 65.958 -7.229 -0.506 1.00 0.00 C ATOM 0 HA PRO A 441 66.693 -4.797 1.566 1.00 0.00 H new ATOM 0 HB2 PRO A 441 64.938 -4.062 -0.444 1.00 0.00 H new ATOM 0 HB3 PRO A 441 66.622 -4.400 -0.792 1.00 0.00 H new ATOM 0 HG2 PRO A 441 64.217 -6.161 -1.174 1.00 0.00 H new ATOM 0 HG3 PRO A 441 65.616 -5.965 -2.210 1.00 0.00 H new ATOM 0 HD2 PRO A 441 65.316 -8.109 -0.531 1.00 0.00 H new ATOM 0 HD3 PRO A 441 66.889 -7.500 -1.004 1.00 0.00 H new ATOM 545 N ALA A 442 64.685 -4.273 2.852 1.00 0.00 N ATOM 546 CA ALA A 442 63.473 -4.006 3.681 1.00 0.00 C ATOM 547 C ALA A 442 62.619 -2.937 2.997 1.00 0.00 C ATOM 548 O ALA A 442 62.631 -1.781 3.373 1.00 0.00 O ATOM 549 CB ALA A 442 64.009 -3.495 5.018 1.00 0.00 C ATOM 0 H ALA A 442 65.520 -3.757 3.127 1.00 0.00 H new ATOM 0 HA ALA A 442 62.848 -4.889 3.813 1.00 0.00 H new ATOM 0 HB1 ALA A 442 63.175 -3.276 5.685 1.00 0.00 H new ATOM 0 HB2 ALA A 442 64.644 -4.256 5.470 1.00 0.00 H new ATOM 0 HB3 ALA A 442 64.591 -2.588 4.854 1.00 0.00 H new ATOM 555 N MET A 443 61.889 -3.315 1.982 1.00 0.00 N ATOM 556 CA MET A 443 61.042 -2.325 1.250 1.00 0.00 C ATOM 557 C MET A 443 60.093 -1.598 2.206 1.00 0.00 C ATOM 558 O MET A 443 59.768 -2.085 3.271 1.00 0.00 O ATOM 559 CB MET A 443 60.251 -3.150 0.231 1.00 0.00 C ATOM 560 CG MET A 443 60.461 -2.568 -1.168 1.00 0.00 C ATOM 561 SD MET A 443 60.585 -3.907 -2.379 1.00 0.00 S ATOM 562 CE MET A 443 59.302 -3.316 -3.510 1.00 0.00 C ATOM 0 H MET A 443 61.842 -4.270 1.626 1.00 0.00 H new ATOM 0 HA MET A 443 61.647 -1.554 0.773 1.00 0.00 H new ATOM 0 HB2 MET A 443 60.577 -4.190 0.257 1.00 0.00 H new ATOM 0 HB3 MET A 443 59.191 -3.142 0.485 1.00 0.00 H new ATOM 0 HG2 MET A 443 59.632 -1.909 -1.425 1.00 0.00 H new ATOM 0 HG3 MET A 443 61.367 -1.963 -1.188 1.00 0.00 H new ATOM 0 HE1 MET A 443 58.467 -4.016 -3.510 1.00 0.00 H new ATOM 0 HE2 MET A 443 58.954 -2.336 -3.185 1.00 0.00 H new ATOM 0 HE3 MET A 443 59.712 -3.240 -4.517 1.00 0.00 H new ATOM 572 N ILE A 444 59.651 -0.431 1.823 1.00 0.00 N ATOM 573 CA ILE A 444 58.723 0.352 2.684 1.00 0.00 C ATOM 574 C ILE A 444 57.452 0.693 1.900 1.00 0.00 C ATOM 575 O ILE A 444 57.293 0.294 0.763 1.00 0.00 O ATOM 576 CB ILE A 444 59.495 1.624 3.033 1.00 0.00 C ATOM 577 CG1 ILE A 444 59.900 2.352 1.746 1.00 0.00 C ATOM 578 CG2 ILE A 444 60.751 1.258 3.825 1.00 0.00 C ATOM 579 CD1 ILE A 444 60.355 3.772 2.086 1.00 0.00 C ATOM 0 H ILE A 444 59.897 0.017 0.940 1.00 0.00 H new ATOM 0 HA ILE A 444 58.414 -0.195 3.575 1.00 0.00 H new ATOM 0 HB ILE A 444 58.861 2.276 3.634 1.00 0.00 H new ATOM 0 HG12 ILE A 444 60.704 1.811 1.247 1.00 0.00 H new ATOM 0 HG13 ILE A 444 59.059 2.384 1.053 1.00 0.00 H new ATOM 0 HG21 ILE A 444 61.301 2.165 4.074 1.00 0.00 H new ATOM 0 HG22 ILE A 444 60.466 0.744 4.743 1.00 0.00 H new ATOM 0 HG23 ILE A 444 61.382 0.604 3.224 1.00 0.00 H new ATOM 0 HD11 ILE A 444 60.643 4.290 1.172 1.00 0.00 H new ATOM 0 HD12 ILE A 444 59.538 4.311 2.566 1.00 0.00 H new ATOM 0 HD13 ILE A 444 61.208 3.728 2.763 1.00 0.00 H new ATOM 591 N TYR A 445 56.549 1.429 2.494 1.00 0.00 N ATOM 592 CA TYR A 445 55.294 1.792 1.772 1.00 0.00 C ATOM 593 C TYR A 445 55.134 3.317 1.702 1.00 0.00 C ATOM 594 O TYR A 445 55.332 4.016 2.676 1.00 0.00 O ATOM 595 CB TYR A 445 54.164 1.141 2.583 1.00 0.00 C ATOM 596 CG TYR A 445 53.875 1.948 3.828 1.00 0.00 C ATOM 597 CD1 TYR A 445 53.014 3.048 3.757 1.00 0.00 C ATOM 598 CD2 TYR A 445 54.461 1.593 5.049 1.00 0.00 C ATOM 599 CE1 TYR A 445 52.738 3.797 4.908 1.00 0.00 C ATOM 600 CE2 TYR A 445 54.186 2.341 6.200 1.00 0.00 C ATOM 601 CZ TYR A 445 53.324 3.443 6.129 1.00 0.00 C ATOM 602 OH TYR A 445 53.052 4.181 7.264 1.00 0.00 O ATOM 0 H TYR A 445 56.626 1.793 3.444 1.00 0.00 H new ATOM 0 HA TYR A 445 55.293 1.443 0.739 1.00 0.00 H new ATOM 0 HB2 TYR A 445 53.264 1.069 1.972 1.00 0.00 H new ATOM 0 HB3 TYR A 445 54.445 0.124 2.858 1.00 0.00 H new ATOM 0 HD1 TYR A 445 52.562 3.320 2.815 1.00 0.00 H new ATOM 0 HD2 TYR A 445 55.125 0.743 5.103 1.00 0.00 H new ATOM 0 HE1 TYR A 445 52.074 4.647 4.853 1.00 0.00 H new ATOM 0 HE2 TYR A 445 54.638 2.069 7.142 1.00 0.00 H new ATOM 0 HH TYR A 445 52.791 3.578 7.991 1.00 0.00 H new ATOM 612 N CYS A 446 54.773 3.834 0.554 1.00 0.00 N ATOM 613 CA CYS A 446 54.597 5.314 0.420 1.00 0.00 C ATOM 614 C CYS A 446 53.274 5.744 1.059 1.00 0.00 C ATOM 615 O CYS A 446 52.374 4.948 1.242 1.00 0.00 O ATOM 616 CB CYS A 446 54.576 5.578 -1.090 1.00 0.00 C ATOM 617 SG CYS A 446 54.420 7.358 -1.398 1.00 0.00 S ATOM 0 H CYS A 446 54.593 3.297 -0.294 1.00 0.00 H new ATOM 0 HA CYS A 446 55.389 5.873 0.918 1.00 0.00 H new ATOM 0 HB2 CYS A 446 55.490 5.199 -1.548 1.00 0.00 H new ATOM 0 HB3 CYS A 446 53.744 5.045 -1.550 1.00 0.00 H new ATOM 622 N SER A 447 53.148 7.000 1.401 1.00 0.00 N ATOM 623 CA SER A 447 51.882 7.481 2.027 1.00 0.00 C ATOM 624 C SER A 447 50.835 7.773 0.941 1.00 0.00 C ATOM 625 O SER A 447 50.175 6.874 0.457 1.00 0.00 O ATOM 626 CB SER A 447 52.272 8.753 2.782 1.00 0.00 C ATOM 627 OG SER A 447 51.096 9.472 3.132 1.00 0.00 O ATOM 0 H SER A 447 53.867 7.712 1.274 1.00 0.00 H new ATOM 0 HA SER A 447 51.437 6.743 2.695 1.00 0.00 H new ATOM 0 HB2 SER A 447 52.837 8.498 3.679 1.00 0.00 H new ATOM 0 HB3 SER A 447 52.920 9.373 2.163 1.00 0.00 H new ATOM 0 HG SER A 447 51.320 10.415 3.275 1.00 0.00 H new ATOM 633 N HIS A 448 50.677 9.016 0.549 1.00 0.00 N ATOM 634 CA HIS A 448 49.672 9.355 -0.508 1.00 0.00 C ATOM 635 C HIS A 448 48.314 8.724 -0.181 1.00 0.00 C ATOM 636 O HIS A 448 48.063 8.311 0.935 1.00 0.00 O ATOM 637 CB HIS A 448 50.241 8.766 -1.802 1.00 0.00 C ATOM 638 CG HIS A 448 50.222 9.811 -2.884 1.00 0.00 C ATOM 639 ND1 HIS A 448 51.343 10.115 -3.639 1.00 0.00 N ATOM 640 CD2 HIS A 448 49.224 10.631 -3.350 1.00 0.00 C ATOM 641 CE1 HIS A 448 50.997 11.081 -4.511 1.00 0.00 C ATOM 642 NE2 HIS A 448 49.715 11.432 -4.377 1.00 0.00 N ATOM 0 H HIS A 448 51.201 9.810 0.916 1.00 0.00 H new ATOM 0 HA HIS A 448 49.507 10.430 -0.586 1.00 0.00 H new ATOM 0 HB2 HIS A 448 51.261 8.417 -1.637 1.00 0.00 H new ATOM 0 HB3 HIS A 448 49.654 7.900 -2.108 1.00 0.00 H new ATOM 0 HD2 HIS A 448 48.211 10.651 -2.976 1.00 0.00 H new ATOM 0 HE1 HIS A 448 51.673 11.518 -5.231 1.00 0.00 H new ATOM 0 HE2 HIS A 448 49.206 12.135 -4.912 1.00 0.00 H new ATOM 650 N GLY A 449 47.438 8.644 -1.149 1.00 0.00 N ATOM 651 CA GLY A 449 46.099 8.037 -0.896 1.00 0.00 C ATOM 652 C GLY A 449 46.268 6.546 -0.599 1.00 0.00 C ATOM 653 O GLY A 449 46.060 6.097 0.511 1.00 0.00 O ATOM 0 H GLY A 449 47.592 8.973 -2.102 1.00 0.00 H new ATOM 0 HA2 GLY A 449 45.614 8.534 -0.056 1.00 0.00 H new ATOM 0 HA3 GLY A 449 45.454 8.176 -1.764 1.00 0.00 H new ATOM 657 N ASP A 450 46.648 5.776 -1.584 1.00 0.00 N ATOM 658 CA ASP A 450 46.837 4.313 -1.360 1.00 0.00 C ATOM 659 C ASP A 450 48.266 4.036 -0.888 1.00 0.00 C ATOM 660 O ASP A 450 48.499 3.710 0.259 1.00 0.00 O ATOM 661 CB ASP A 450 46.588 3.668 -2.725 1.00 0.00 C ATOM 662 CG ASP A 450 45.084 3.504 -2.948 1.00 0.00 C ATOM 663 OD1 ASP A 450 44.422 3.011 -2.048 1.00 0.00 O ATOM 664 OD2 ASP A 450 44.618 3.872 -4.013 1.00 0.00 O ATOM 0 H ASP A 450 46.836 6.097 -2.534 1.00 0.00 H new ATOM 0 HA ASP A 450 46.166 3.920 -0.596 1.00 0.00 H new ATOM 0 HB2 ASP A 450 47.018 4.285 -3.514 1.00 0.00 H new ATOM 0 HB3 ASP A 450 47.081 2.697 -2.775 1.00 0.00 H new ATOM 669 N GLY A 451 49.226 4.169 -1.766 1.00 0.00 N ATOM 670 CA GLY A 451 50.641 3.920 -1.370 1.00 0.00 C ATOM 671 C GLY A 451 51.150 2.647 -2.050 1.00 0.00 C ATOM 672 O GLY A 451 50.398 1.729 -2.315 1.00 0.00 O ATOM 0 H GLY A 451 49.090 4.439 -2.740 1.00 0.00 H new ATOM 0 HA2 GLY A 451 51.263 4.769 -1.654 1.00 0.00 H new ATOM 0 HA3 GLY A 451 50.713 3.819 -0.287 1.00 0.00 H new ATOM 676 N HIS A 452 52.427 2.580 -2.319 1.00 0.00 N ATOM 677 CA HIS A 452 52.994 1.362 -2.966 1.00 0.00 C ATOM 678 C HIS A 452 54.206 0.870 -2.186 1.00 0.00 C ATOM 679 O HIS A 452 54.629 1.479 -1.223 1.00 0.00 O ATOM 680 CB HIS A 452 53.393 1.750 -4.398 1.00 0.00 C ATOM 681 CG HIS A 452 54.214 3.017 -4.419 1.00 0.00 C ATOM 682 ND1 HIS A 452 55.444 3.085 -5.059 1.00 0.00 N ATOM 683 CD2 HIS A 452 53.993 4.273 -3.910 1.00 0.00 C ATOM 684 CE1 HIS A 452 55.905 4.342 -4.920 1.00 0.00 C ATOM 685 NE2 HIS A 452 55.058 5.101 -4.226 1.00 0.00 N ATOM 0 H HIS A 452 53.102 3.318 -2.118 1.00 0.00 H new ATOM 0 HA HIS A 452 52.263 0.554 -2.981 1.00 0.00 H new ATOM 0 HB2 HIS A 452 53.963 0.938 -4.851 1.00 0.00 H new ATOM 0 HB3 HIS A 452 52.496 1.886 -5.003 1.00 0.00 H new ATOM 0 HD1 HIS A 452 55.913 2.321 -5.546 1.00 0.00 H new ATOM 0 HD2 HIS A 452 53.120 4.571 -3.348 1.00 0.00 H new ATOM 0 HE1 HIS A 452 56.845 4.692 -5.321 1.00 0.00 H new ATOM 693 N TRP A 453 54.756 -0.236 -2.593 1.00 0.00 N ATOM 694 CA TRP A 453 55.935 -0.798 -1.880 1.00 0.00 C ATOM 695 C TRP A 453 57.223 -0.526 -2.666 1.00 0.00 C ATOM 696 O TRP A 453 57.328 -0.859 -3.831 1.00 0.00 O ATOM 697 CB TRP A 453 55.655 -2.297 -1.820 1.00 0.00 C ATOM 698 CG TRP A 453 54.853 -2.614 -0.598 1.00 0.00 C ATOM 699 CD1 TRP A 453 53.543 -2.954 -0.597 1.00 0.00 C ATOM 700 CD2 TRP A 453 55.279 -2.628 0.796 1.00 0.00 C ATOM 701 NE1 TRP A 453 53.139 -3.176 0.707 1.00 0.00 N ATOM 702 CE2 TRP A 453 54.173 -2.988 1.601 1.00 0.00 C ATOM 703 CE3 TRP A 453 56.505 -2.367 1.432 1.00 0.00 C ATOM 704 CZ2 TRP A 453 54.280 -3.084 2.989 1.00 0.00 C ATOM 705 CZ3 TRP A 453 56.616 -2.463 2.830 1.00 0.00 C ATOM 706 CH2 TRP A 453 55.505 -2.822 3.606 1.00 0.00 C ATOM 0 H TRP A 453 54.438 -0.780 -3.395 1.00 0.00 H new ATOM 0 HA TRP A 453 56.076 -0.356 -0.894 1.00 0.00 H new ATOM 0 HB2 TRP A 453 55.114 -2.611 -2.713 1.00 0.00 H new ATOM 0 HB3 TRP A 453 56.593 -2.851 -1.804 1.00 0.00 H new ATOM 0 HD1 TRP A 453 52.915 -3.038 -1.472 1.00 0.00 H new ATOM 0 HE1 TRP A 453 52.193 -3.446 0.975 1.00 0.00 H new ATOM 0 HE3 TRP A 453 57.367 -2.091 0.843 1.00 0.00 H new ATOM 0 HZ2 TRP A 453 53.421 -3.359 3.582 1.00 0.00 H new ATOM 0 HZ3 TRP A 453 57.562 -2.259 3.309 1.00 0.00 H new ATOM 0 HH2 TRP A 453 55.596 -2.896 4.680 1.00 0.00 H new ATOM 717 N VAL A 454 58.207 0.067 -2.038 1.00 0.00 N ATOM 718 CA VAL A 454 59.490 0.344 -2.756 1.00 0.00 C ATOM 719 C VAL A 454 60.672 0.307 -1.778 1.00 0.00 C ATOM 720 O VAL A 454 60.523 0.566 -0.601 1.00 0.00 O ATOM 721 CB VAL A 454 59.328 1.740 -3.366 1.00 0.00 C ATOM 722 CG1 VAL A 454 58.154 1.741 -4.347 1.00 0.00 C ATOM 723 CG2 VAL A 454 59.064 2.757 -2.260 1.00 0.00 C ATOM 0 H VAL A 454 58.179 0.370 -1.064 1.00 0.00 H new ATOM 0 HA VAL A 454 59.696 -0.404 -3.522 1.00 0.00 H new ATOM 0 HB VAL A 454 60.243 2.007 -3.894 1.00 0.00 H new ATOM 0 HG11 VAL A 454 58.042 2.735 -4.779 1.00 0.00 H new ATOM 0 HG12 VAL A 454 58.343 1.019 -5.142 1.00 0.00 H new ATOM 0 HG13 VAL A 454 57.239 1.469 -3.820 1.00 0.00 H new ATOM 0 HG21 VAL A 454 58.949 3.749 -2.697 1.00 0.00 H new ATOM 0 HG22 VAL A 454 58.152 2.487 -1.728 1.00 0.00 H new ATOM 0 HG23 VAL A 454 59.902 2.763 -1.563 1.00 0.00 H new ATOM 733 N HIS A 455 61.843 -0.025 -2.260 1.00 0.00 N ATOM 734 CA HIS A 455 63.040 -0.097 -1.361 1.00 0.00 C ATOM 735 C HIS A 455 63.285 1.251 -0.678 1.00 0.00 C ATOM 736 O HIS A 455 62.898 2.291 -1.175 1.00 0.00 O ATOM 737 CB HIS A 455 64.223 -0.452 -2.272 1.00 0.00 C ATOM 738 CG HIS A 455 63.899 -1.663 -3.089 1.00 0.00 C ATOM 739 ND1 HIS A 455 63.738 -1.610 -4.478 1.00 0.00 N ATOM 740 CD2 HIS A 455 63.673 -2.961 -2.730 1.00 0.00 C ATOM 741 CE1 HIS A 455 63.415 -2.857 -4.897 1.00 0.00 C ATOM 742 NE2 HIS A 455 63.368 -3.685 -3.865 1.00 0.00 N ATOM 0 H HIS A 455 62.024 -0.250 -3.238 1.00 0.00 H new ATOM 0 HA HIS A 455 62.900 -0.834 -0.571 1.00 0.00 H new ATOM 0 HB2 HIS A 455 64.451 0.388 -2.928 1.00 0.00 H new ATOM 0 HB3 HIS A 455 65.113 -0.637 -1.670 1.00 0.00 H new ATOM 0 HD2 HIS A 455 63.724 -3.355 -1.726 1.00 0.00 H new ATOM 0 HE1 HIS A 455 63.224 -3.135 -5.923 1.00 0.00 H new ATOM 0 HE2 HIS A 455 63.146 -4.680 -3.902 1.00 0.00 H new ATOM 750 N ALA A 456 63.935 1.236 0.455 1.00 0.00 N ATOM 751 CA ALA A 456 64.219 2.510 1.177 1.00 0.00 C ATOM 752 C ALA A 456 65.618 3.012 0.813 1.00 0.00 C ATOM 753 O ALA A 456 65.797 4.147 0.416 1.00 0.00 O ATOM 754 CB ALA A 456 64.148 2.151 2.662 1.00 0.00 C ATOM 0 H ALA A 456 64.283 0.393 0.913 1.00 0.00 H new ATOM 0 HA ALA A 456 63.515 3.301 0.918 1.00 0.00 H new ATOM 0 HB1 ALA A 456 64.347 3.040 3.261 1.00 0.00 H new ATOM 0 HB2 ALA A 456 63.154 1.770 2.897 1.00 0.00 H new ATOM 0 HB3 ALA A 456 64.892 1.387 2.888 1.00 0.00 H new ATOM 760 N GLN A 457 66.611 2.171 0.941 1.00 0.00 N ATOM 761 CA GLN A 457 68.001 2.595 0.597 1.00 0.00 C ATOM 762 C GLN A 457 68.066 3.060 -0.861 1.00 0.00 C ATOM 763 O GLN A 457 68.929 3.829 -1.239 1.00 0.00 O ATOM 764 CB GLN A 457 68.863 1.348 0.805 1.00 0.00 C ATOM 765 CG GLN A 457 70.324 1.679 0.491 1.00 0.00 C ATOM 766 CD GLN A 457 71.227 0.561 1.015 1.00 0.00 C ATOM 767 OE1 GLN A 457 71.983 0.761 1.944 1.00 0.00 O ATOM 768 NE2 GLN A 457 71.180 -0.616 0.454 1.00 0.00 N ATOM 0 H GLN A 457 66.520 1.209 1.269 1.00 0.00 H new ATOM 0 HA GLN A 457 68.342 3.429 1.211 1.00 0.00 H new ATOM 0 HB2 GLN A 457 68.771 0.997 1.833 1.00 0.00 H new ATOM 0 HB3 GLN A 457 68.515 0.541 0.160 1.00 0.00 H new ATOM 0 HG2 GLN A 457 70.458 1.795 -0.584 1.00 0.00 H new ATOM 0 HG3 GLN A 457 70.599 2.628 0.951 1.00 0.00 H new ATOM 0 HE21 GLN A 457 70.545 -0.784 -0.326 1.00 0.00 H new ATOM 0 HE22 GLN A 457 71.778 -1.368 0.796 1.00 0.00 H new ATOM 777 N CYS A 458 67.155 2.604 -1.683 1.00 0.00 N ATOM 778 CA CYS A 458 67.158 3.023 -3.118 1.00 0.00 C ATOM 779 C CYS A 458 67.149 4.552 -3.222 1.00 0.00 C ATOM 780 O CYS A 458 67.574 5.119 -4.209 1.00 0.00 O ATOM 781 CB CYS A 458 65.868 2.443 -3.706 1.00 0.00 C ATOM 782 SG CYS A 458 66.255 1.022 -4.760 1.00 0.00 S ATOM 0 H CYS A 458 66.409 1.959 -1.422 1.00 0.00 H new ATOM 0 HA CYS A 458 68.043 2.670 -3.647 1.00 0.00 H new ATOM 0 HB2 CYS A 458 65.197 2.139 -2.903 1.00 0.00 H new ATOM 0 HB3 CYS A 458 65.347 3.205 -4.285 1.00 0.00 H new ATOM 787 N MET A 459 66.660 5.219 -2.210 1.00 0.00 N ATOM 788 CA MET A 459 66.617 6.710 -2.248 1.00 0.00 C ATOM 789 C MET A 459 67.636 7.292 -1.263 1.00 0.00 C ATOM 790 O MET A 459 67.347 8.219 -0.532 1.00 0.00 O ATOM 791 CB MET A 459 65.190 7.084 -1.828 1.00 0.00 C ATOM 792 CG MET A 459 64.172 6.281 -2.647 1.00 0.00 C ATOM 793 SD MET A 459 64.373 6.655 -4.407 1.00 0.00 S ATOM 794 CE MET A 459 63.421 5.255 -5.046 1.00 0.00 C ATOM 0 H MET A 459 66.289 4.796 -1.359 1.00 0.00 H new ATOM 0 HA MET A 459 66.864 7.103 -3.234 1.00 0.00 H new ATOM 0 HB2 MET A 459 65.051 6.885 -0.765 1.00 0.00 H new ATOM 0 HB3 MET A 459 65.027 8.151 -1.976 1.00 0.00 H new ATOM 0 HG2 MET A 459 64.312 5.214 -2.474 1.00 0.00 H new ATOM 0 HG3 MET A 459 63.159 6.526 -2.327 1.00 0.00 H new ATOM 0 HE1 MET A 459 63.558 5.184 -6.125 1.00 0.00 H new ATOM 0 HE2 MET A 459 63.766 4.335 -4.575 1.00 0.00 H new ATOM 0 HE3 MET A 459 62.364 5.402 -4.824 1.00 0.00 H new ATOM 804 N ASP A 460 68.828 6.751 -1.239 1.00 0.00 N ATOM 805 CA ASP A 460 69.873 7.266 -0.302 1.00 0.00 C ATOM 806 C ASP A 460 69.330 7.310 1.131 1.00 0.00 C ATOM 807 O ASP A 460 69.047 8.365 1.665 1.00 0.00 O ATOM 808 CB ASP A 460 70.198 8.677 -0.797 1.00 0.00 C ATOM 809 CG ASP A 460 71.514 9.148 -0.173 1.00 0.00 C ATOM 810 OD1 ASP A 460 72.506 8.459 -0.345 1.00 0.00 O ATOM 811 OD2 ASP A 460 71.505 10.188 0.464 1.00 0.00 O ATOM 0 H ASP A 460 69.123 5.973 -1.829 1.00 0.00 H new ATOM 0 HA ASP A 460 70.757 6.629 -0.286 1.00 0.00 H new ATOM 0 HB2 ASP A 460 70.276 8.683 -1.884 1.00 0.00 H new ATOM 0 HB3 ASP A 460 69.392 9.361 -0.532 1.00 0.00 H new ATOM 816 N LEU A 461 69.180 6.172 1.753 1.00 0.00 N ATOM 817 CA LEU A 461 68.653 6.144 3.148 1.00 0.00 C ATOM 818 C LEU A 461 69.561 5.299 4.044 1.00 0.00 C ATOM 819 O LEU A 461 70.600 4.827 3.625 1.00 0.00 O ATOM 820 CB LEU A 461 67.266 5.507 3.036 1.00 0.00 C ATOM 821 CG LEU A 461 66.198 6.530 3.427 1.00 0.00 C ATOM 822 CD1 LEU A 461 65.656 7.209 2.168 1.00 0.00 C ATOM 823 CD2 LEU A 461 65.054 5.819 4.156 1.00 0.00 C ATOM 0 H LEU A 461 69.400 5.259 1.355 1.00 0.00 H new ATOM 0 HA LEU A 461 68.611 7.139 3.591 1.00 0.00 H new ATOM 0 HB2 LEU A 461 67.095 5.160 2.017 1.00 0.00 H new ATOM 0 HB3 LEU A 461 67.202 4.634 3.685 1.00 0.00 H new ATOM 0 HG LEU A 461 66.637 7.281 4.084 1.00 0.00 H new ATOM 0 HD11 LEU A 461 64.895 7.938 2.447 1.00 0.00 H new ATOM 0 HD12 LEU A 461 66.470 7.715 1.648 1.00 0.00 H new ATOM 0 HD13 LEU A 461 65.216 6.459 1.511 1.00 0.00 H new ATOM 0 HD21 LEU A 461 64.292 6.547 4.435 1.00 0.00 H new ATOM 0 HD22 LEU A 461 64.615 5.068 3.499 1.00 0.00 H new ATOM 0 HD23 LEU A 461 65.440 5.335 5.053 1.00 0.00 H new ATOM 835 N GLU A 462 69.174 5.105 5.277 1.00 0.00 N ATOM 836 CA GLU A 462 70.008 4.291 6.207 1.00 0.00 C ATOM 837 C GLU A 462 69.112 3.445 7.115 1.00 0.00 C ATOM 838 O GLU A 462 67.936 3.276 6.857 1.00 0.00 O ATOM 839 CB GLU A 462 70.793 5.312 7.033 1.00 0.00 C ATOM 840 CG GLU A 462 71.705 6.124 6.111 1.00 0.00 C ATOM 841 CD GLU A 462 72.564 7.071 6.950 1.00 0.00 C ATOM 842 OE1 GLU A 462 72.024 7.681 7.859 1.00 0.00 O ATOM 843 OE2 GLU A 462 73.747 7.171 6.670 1.00 0.00 O ATOM 0 H GLU A 462 68.314 5.476 5.680 1.00 0.00 H new ATOM 0 HA GLU A 462 70.666 3.603 5.676 1.00 0.00 H new ATOM 0 HB2 GLU A 462 70.106 5.975 7.558 1.00 0.00 H new ATOM 0 HB3 GLU A 462 71.387 4.802 7.792 1.00 0.00 H new ATOM 0 HG2 GLU A 462 72.342 5.456 5.531 1.00 0.00 H new ATOM 0 HG3 GLU A 462 71.107 6.693 5.399 1.00 0.00 H new ATOM 850 N GLU A 463 69.658 2.916 8.177 1.00 0.00 N ATOM 851 CA GLU A 463 68.837 2.083 9.104 1.00 0.00 C ATOM 852 C GLU A 463 68.063 2.979 10.077 1.00 0.00 C ATOM 853 O GLU A 463 67.073 2.573 10.654 1.00 0.00 O ATOM 854 CB GLU A 463 69.846 1.218 9.859 1.00 0.00 C ATOM 855 CG GLU A 463 69.102 0.267 10.799 1.00 0.00 C ATOM 856 CD GLU A 463 69.904 -1.026 10.959 1.00 0.00 C ATOM 857 OE1 GLU A 463 71.121 -0.947 10.972 1.00 0.00 O ATOM 858 OE2 GLU A 463 69.287 -2.074 11.065 1.00 0.00 O ATOM 0 H GLU A 463 70.637 3.024 8.443 1.00 0.00 H new ATOM 0 HA GLU A 463 68.100 1.480 8.573 1.00 0.00 H new ATOM 0 HB2 GLU A 463 70.452 0.649 9.154 1.00 0.00 H new ATOM 0 HB3 GLU A 463 70.528 1.849 10.429 1.00 0.00 H new ATOM 0 HG2 GLU A 463 68.956 0.739 11.770 1.00 0.00 H new ATOM 0 HG3 GLU A 463 68.112 0.046 10.400 1.00 0.00 H new ATOM 865 N ARG A 464 68.507 4.195 10.264 1.00 0.00 N ATOM 866 CA ARG A 464 67.798 5.116 11.201 1.00 0.00 C ATOM 867 C ARG A 464 66.365 5.360 10.721 1.00 0.00 C ATOM 868 O ARG A 464 65.413 5.008 11.388 1.00 0.00 O ATOM 869 CB ARG A 464 68.602 6.417 11.171 1.00 0.00 C ATOM 870 CG ARG A 464 68.045 7.385 12.216 1.00 0.00 C ATOM 871 CD ARG A 464 68.344 6.851 13.619 1.00 0.00 C ATOM 872 NE ARG A 464 67.893 7.927 14.545 1.00 0.00 N ATOM 873 CZ ARG A 464 67.399 7.618 15.713 1.00 0.00 C ATOM 874 NH1 ARG A 464 67.995 6.730 16.460 1.00 0.00 N ATOM 875 NH2 ARG A 464 66.308 8.199 16.134 1.00 0.00 N ATOM 0 H ARG A 464 69.330 4.590 9.808 1.00 0.00 H new ATOM 0 HA ARG A 464 67.731 4.704 12.208 1.00 0.00 H new ATOM 0 HB2 ARG A 464 69.653 6.212 11.373 1.00 0.00 H new ATOM 0 HB3 ARG A 464 68.550 6.866 10.179 1.00 0.00 H new ATOM 0 HG2 ARG A 464 68.492 8.371 12.088 1.00 0.00 H new ATOM 0 HG3 ARG A 464 66.970 7.502 12.082 1.00 0.00 H new ATOM 0 HD2 ARG A 464 67.812 5.919 13.808 1.00 0.00 H new ATOM 0 HD3 ARG A 464 69.407 6.642 13.744 1.00 0.00 H new ATOM 0 HE ARG A 464 67.970 8.905 14.266 1.00 0.00 H new ATOM 0 HH11 ARG A 464 68.848 6.277 16.131 1.00 0.00 H new ATOM 0 HH12 ARG A 464 67.608 6.489 17.373 1.00 0.00 H new ATOM 0 HH21 ARG A 464 65.842 8.894 15.550 1.00 0.00 H new ATOM 0 HH22 ARG A 464 65.921 7.958 17.047 1.00 0.00 H new ATOM 889 N THR A 465 66.207 5.961 9.568 1.00 0.00 N ATOM 890 CA THR A 465 64.834 6.232 9.041 1.00 0.00 C ATOM 891 C THR A 465 63.966 4.974 9.143 1.00 0.00 C ATOM 892 O THR A 465 62.788 5.047 9.433 1.00 0.00 O ATOM 893 CB THR A 465 65.036 6.631 7.578 1.00 0.00 C ATOM 894 OG1 THR A 465 66.188 7.457 7.467 1.00 0.00 O ATOM 895 CG2 THR A 465 63.809 7.396 7.081 1.00 0.00 C ATOM 0 H THR A 465 66.970 6.276 8.969 1.00 0.00 H new ATOM 0 HA THR A 465 64.325 7.013 9.607 1.00 0.00 H new ATOM 0 HB THR A 465 65.172 5.734 6.973 1.00 0.00 H new ATOM 0 HG1 THR A 465 66.938 6.928 7.125 1.00 0.00 H new ATOM 0 HG21 THR A 465 63.955 7.680 6.039 1.00 0.00 H new ATOM 0 HG22 THR A 465 62.926 6.762 7.165 1.00 0.00 H new ATOM 0 HG23 THR A 465 63.670 8.293 7.685 1.00 0.00 H new ATOM 903 N LEU A 466 64.542 3.822 8.925 1.00 0.00 N ATOM 904 CA LEU A 466 63.747 2.565 9.034 1.00 0.00 C ATOM 905 C LEU A 466 63.317 2.373 10.488 1.00 0.00 C ATOM 906 O LEU A 466 62.203 1.973 10.767 1.00 0.00 O ATOM 907 CB LEU A 466 64.692 1.445 8.591 1.00 0.00 C ATOM 908 CG LEU A 466 63.987 0.560 7.560 1.00 0.00 C ATOM 909 CD1 LEU A 466 65.010 -0.354 6.884 1.00 0.00 C ATOM 910 CD2 LEU A 466 62.928 -0.294 8.262 1.00 0.00 C ATOM 0 H LEU A 466 65.524 3.697 8.677 1.00 0.00 H new ATOM 0 HA LEU A 466 62.845 2.580 8.423 1.00 0.00 H new ATOM 0 HB2 LEU A 466 65.600 1.869 8.162 1.00 0.00 H new ATOM 0 HB3 LEU A 466 64.995 0.849 9.452 1.00 0.00 H new ATOM 0 HG LEU A 466 63.510 1.189 6.808 1.00 0.00 H new ATOM 0 HD11 LEU A 466 64.507 -0.984 6.150 1.00 0.00 H new ATOM 0 HD12 LEU A 466 65.766 0.252 6.384 1.00 0.00 H new ATOM 0 HD13 LEU A 466 65.488 -0.983 7.635 1.00 0.00 H new ATOM 0 HD21 LEU A 466 62.425 -0.925 7.529 1.00 0.00 H new ATOM 0 HD22 LEU A 466 63.407 -0.922 9.014 1.00 0.00 H new ATOM 0 HD23 LEU A 466 62.197 0.356 8.744 1.00 0.00 H new ATOM 922 N ILE A 467 64.185 2.681 11.418 1.00 0.00 N ATOM 923 CA ILE A 467 63.813 2.543 12.853 1.00 0.00 C ATOM 924 C ILE A 467 62.717 3.557 13.163 1.00 0.00 C ATOM 925 O ILE A 467 61.680 3.233 13.711 1.00 0.00 O ATOM 926 CB ILE A 467 65.106 2.844 13.641 1.00 0.00 C ATOM 927 CG1 ILE A 467 65.305 1.767 14.711 1.00 0.00 C ATOM 928 CG2 ILE A 467 65.034 4.223 14.321 1.00 0.00 C ATOM 929 CD1 ILE A 467 66.738 1.832 15.243 1.00 0.00 C ATOM 0 H ILE A 467 65.131 3.021 11.244 1.00 0.00 H new ATOM 0 HA ILE A 467 63.431 1.556 13.112 1.00 0.00 H new ATOM 0 HB ILE A 467 65.943 2.847 12.942 1.00 0.00 H new ATOM 0 HG12 ILE A 467 64.597 1.914 15.526 1.00 0.00 H new ATOM 0 HG13 ILE A 467 65.107 0.781 14.291 1.00 0.00 H new ATOM 0 HG21 ILE A 467 65.958 4.407 14.868 1.00 0.00 H new ATOM 0 HG22 ILE A 467 64.900 4.996 13.564 1.00 0.00 H new ATOM 0 HG23 ILE A 467 64.192 4.244 15.013 1.00 0.00 H new ATOM 0 HD11 ILE A 467 66.879 1.065 16.005 1.00 0.00 H new ATOM 0 HD12 ILE A 467 67.438 1.663 14.425 1.00 0.00 H new ATOM 0 HD13 ILE A 467 66.920 2.814 15.679 1.00 0.00 H new ATOM 941 N HIS A 468 62.945 4.787 12.793 1.00 0.00 N ATOM 942 CA HIS A 468 61.937 5.848 13.036 1.00 0.00 C ATOM 943 C HIS A 468 60.615 5.425 12.394 1.00 0.00 C ATOM 944 O HIS A 468 59.564 5.488 13.001 1.00 0.00 O ATOM 945 CB HIS A 468 62.523 7.092 12.354 1.00 0.00 C ATOM 946 CG HIS A 468 61.503 8.190 12.337 1.00 0.00 C ATOM 947 ND1 HIS A 468 61.729 9.437 12.897 1.00 0.00 N ATOM 948 CD2 HIS A 468 60.241 8.234 11.819 1.00 0.00 C ATOM 949 CE1 HIS A 468 60.620 10.174 12.701 1.00 0.00 C ATOM 950 NE2 HIS A 468 59.680 9.487 12.047 1.00 0.00 N ATOM 0 H HIS A 468 63.797 5.102 12.328 1.00 0.00 H new ATOM 0 HA HIS A 468 61.735 6.034 14.091 1.00 0.00 H new ATOM 0 HB2 HIS A 468 63.417 7.422 12.884 1.00 0.00 H new ATOM 0 HB3 HIS A 468 62.827 6.850 11.336 1.00 0.00 H new ATOM 0 HD1 HIS A 468 62.580 9.741 13.371 1.00 0.00 H new ATOM 0 HD2 HIS A 468 59.751 7.418 11.308 1.00 0.00 H new ATOM 0 HE1 HIS A 468 60.505 11.196 13.032 1.00 0.00 H new ATOM 958 N LEU A 469 60.673 4.980 11.170 1.00 0.00 N ATOM 959 CA LEU A 469 59.439 4.531 10.471 1.00 0.00 C ATOM 960 C LEU A 469 58.790 3.382 11.247 1.00 0.00 C ATOM 961 O LEU A 469 57.598 3.156 11.161 1.00 0.00 O ATOM 962 CB LEU A 469 59.928 4.058 9.100 1.00 0.00 C ATOM 963 CG LEU A 469 59.838 5.214 8.105 1.00 0.00 C ATOM 964 CD1 LEU A 469 60.710 4.909 6.887 1.00 0.00 C ATOM 965 CD2 LEU A 469 58.384 5.392 7.662 1.00 0.00 C ATOM 0 H LEU A 469 61.529 4.908 10.621 1.00 0.00 H new ATOM 0 HA LEU A 469 58.688 5.316 10.387 1.00 0.00 H new ATOM 0 HB2 LEU A 469 60.956 3.703 9.171 1.00 0.00 H new ATOM 0 HB3 LEU A 469 59.324 3.219 8.755 1.00 0.00 H new ATOM 0 HG LEU A 469 60.188 6.131 8.580 1.00 0.00 H new ATOM 0 HD11 LEU A 469 60.645 5.734 6.178 1.00 0.00 H new ATOM 0 HD12 LEU A 469 61.745 4.783 7.203 1.00 0.00 H new ATOM 0 HD13 LEU A 469 60.362 3.993 6.411 1.00 0.00 H new ATOM 0 HD21 LEU A 469 58.318 6.216 6.952 1.00 0.00 H new ATOM 0 HD22 LEU A 469 58.033 4.476 7.187 1.00 0.00 H new ATOM 0 HD23 LEU A 469 57.763 5.611 8.531 1.00 0.00 H new ATOM 977 N SER A 470 59.567 2.659 12.011 1.00 0.00 N ATOM 978 CA SER A 470 59.002 1.528 12.803 1.00 0.00 C ATOM 979 C SER A 470 58.663 1.988 14.227 1.00 0.00 C ATOM 980 O SER A 470 58.027 1.279 14.980 1.00 0.00 O ATOM 981 CB SER A 470 60.108 0.475 12.830 1.00 0.00 C ATOM 982 OG SER A 470 59.535 -0.801 13.082 1.00 0.00 O ATOM 0 H SER A 470 60.571 2.804 12.120 1.00 0.00 H new ATOM 0 HA SER A 470 58.079 1.143 12.369 1.00 0.00 H new ATOM 0 HB2 SER A 470 60.641 0.466 11.879 1.00 0.00 H new ATOM 0 HB3 SER A 470 60.838 0.718 13.602 1.00 0.00 H new ATOM 0 HG SER A 470 60.242 -1.480 13.098 1.00 0.00 H new ATOM 988 N GLU A 471 59.090 3.168 14.603 1.00 0.00 N ATOM 989 CA GLU A 471 58.796 3.665 15.980 1.00 0.00 C ATOM 990 C GLU A 471 57.348 4.150 16.080 1.00 0.00 C ATOM 991 O GLU A 471 56.753 4.140 17.141 1.00 0.00 O ATOM 992 CB GLU A 471 59.767 4.828 16.194 1.00 0.00 C ATOM 993 CG GLU A 471 61.008 4.328 16.936 1.00 0.00 C ATOM 994 CD GLU A 471 62.099 5.400 16.888 1.00 0.00 C ATOM 995 OE1 GLU A 471 61.754 6.570 16.910 1.00 0.00 O ATOM 996 OE2 GLU A 471 63.260 5.032 16.831 1.00 0.00 O ATOM 0 H GLU A 471 59.628 3.806 14.017 1.00 0.00 H new ATOM 0 HA GLU A 471 58.916 2.885 16.732 1.00 0.00 H new ATOM 0 HB2 GLU A 471 60.053 5.258 15.234 1.00 0.00 H new ATOM 0 HB3 GLU A 471 59.283 5.619 16.766 1.00 0.00 H new ATOM 0 HG2 GLU A 471 60.757 4.096 17.971 1.00 0.00 H new ATOM 0 HG3 GLU A 471 61.369 3.406 16.481 1.00 0.00 H new ATOM 1003 N GLY A 472 56.776 4.577 14.987 1.00 0.00 N ATOM 1004 CA GLY A 472 55.367 5.064 15.020 1.00 0.00 C ATOM 1005 C GLY A 472 55.174 6.135 13.947 1.00 0.00 C ATOM 1006 O GLY A 472 54.460 5.939 12.983 1.00 0.00 O ATOM 0 H GLY A 472 57.224 4.610 14.071 1.00 0.00 H new ATOM 0 HA2 GLY A 472 54.680 4.235 14.849 1.00 0.00 H new ATOM 0 HA3 GLY A 472 55.135 5.473 16.003 1.00 0.00 H new ATOM 1010 N SER A 473 55.808 7.267 14.104 1.00 0.00 N ATOM 1011 CA SER A 473 55.665 8.352 13.090 1.00 0.00 C ATOM 1012 C SER A 473 56.163 7.863 11.727 1.00 0.00 C ATOM 1013 O SER A 473 57.352 7.807 11.474 1.00 0.00 O ATOM 1014 CB SER A 473 56.538 9.497 13.603 1.00 0.00 C ATOM 1015 OG SER A 473 57.801 8.983 14.003 1.00 0.00 O ATOM 0 H SER A 473 56.419 7.487 14.891 1.00 0.00 H new ATOM 0 HA SER A 473 54.628 8.663 12.959 1.00 0.00 H new ATOM 0 HB2 SER A 473 56.669 10.247 12.823 1.00 0.00 H new ATOM 0 HB3 SER A 473 56.051 9.992 14.443 1.00 0.00 H new ATOM 0 HG SER A 473 58.467 9.177 13.311 1.00 0.00 H new ATOM 1021 N ASN A 474 55.263 7.506 10.850 1.00 0.00 N ATOM 1022 CA ASN A 474 55.681 7.016 9.504 1.00 0.00 C ATOM 1023 C ASN A 474 55.704 8.173 8.500 1.00 0.00 C ATOM 1024 O ASN A 474 55.350 8.012 7.349 1.00 0.00 O ATOM 1025 CB ASN A 474 54.620 5.985 9.113 1.00 0.00 C ATOM 1026 CG ASN A 474 55.296 4.658 8.759 1.00 0.00 C ATOM 1027 OD1 ASN A 474 55.621 4.416 7.614 1.00 0.00 O ATOM 1028 ND2 ASN A 474 55.521 3.784 9.700 1.00 0.00 N ATOM 0 H ASN A 474 54.256 7.533 11.008 1.00 0.00 H new ATOM 0 HA ASN A 474 56.683 6.587 9.513 1.00 0.00 H new ATOM 0 HB2 ASN A 474 53.920 5.839 9.936 1.00 0.00 H new ATOM 0 HB3 ASN A 474 54.042 6.348 8.263 1.00 0.00 H new ATOM 0 HD21 ASN A 474 55.970 2.896 9.475 1.00 0.00 H new ATOM 0 HD22 ASN A 474 55.248 3.988 10.661 1.00 0.00 H new ATOM 1035 N LYS A 475 56.118 9.335 8.928 1.00 0.00 N ATOM 1036 CA LYS A 475 56.166 10.501 7.998 1.00 0.00 C ATOM 1037 C LYS A 475 57.230 10.270 6.922 1.00 0.00 C ATOM 1038 O LYS A 475 58.330 10.783 7.001 1.00 0.00 O ATOM 1039 CB LYS A 475 56.542 11.694 8.880 1.00 0.00 C ATOM 1040 CG LYS A 475 56.376 12.992 8.088 1.00 0.00 C ATOM 1041 CD LYS A 475 56.463 14.186 9.042 1.00 0.00 C ATOM 1042 CE LYS A 475 55.154 14.310 9.825 1.00 0.00 C ATOM 1043 NZ LYS A 475 55.558 14.790 11.176 1.00 0.00 N ATOM 0 H LYS A 475 56.425 9.528 9.881 1.00 0.00 H new ATOM 0 HA LYS A 475 55.220 10.660 7.481 1.00 0.00 H new ATOM 0 HB2 LYS A 475 55.911 11.715 9.768 1.00 0.00 H new ATOM 0 HB3 LYS A 475 57.572 11.595 9.223 1.00 0.00 H new ATOM 0 HG2 LYS A 475 57.150 13.066 7.324 1.00 0.00 H new ATOM 0 HG3 LYS A 475 55.416 12.995 7.571 1.00 0.00 H new ATOM 0 HD2 LYS A 475 57.299 14.056 9.729 1.00 0.00 H new ATOM 0 HD3 LYS A 475 56.651 15.101 8.480 1.00 0.00 H new ATOM 0 HE2 LYS A 475 54.471 15.011 9.345 1.00 0.00 H new ATOM 0 HE3 LYS A 475 54.637 13.352 9.884 1.00 0.00 H new ATOM 0 HZ1 LYS A 475 54.713 14.900 11.772 1.00 0.00 H new ATOM 0 HZ2 LYS A 475 56.202 14.099 11.612 1.00 0.00 H new ATOM 0 HZ3 LYS A 475 56.041 15.707 11.089 1.00 0.00 H new ATOM 1057 N TYR A 476 56.913 9.495 5.918 1.00 0.00 N ATOM 1058 CA TYR A 476 57.905 9.224 4.837 1.00 0.00 C ATOM 1059 C TYR A 476 57.213 9.185 3.472 1.00 0.00 C ATOM 1060 O TYR A 476 56.076 8.775 3.352 1.00 0.00 O ATOM 1061 CB TYR A 476 58.495 7.856 5.175 1.00 0.00 C ATOM 1062 CG TYR A 476 59.685 7.598 4.286 1.00 0.00 C ATOM 1063 CD1 TYR A 476 59.492 7.315 2.930 1.00 0.00 C ATOM 1064 CD2 TYR A 476 60.980 7.649 4.813 1.00 0.00 C ATOM 1065 CE1 TYR A 476 60.594 7.083 2.101 1.00 0.00 C ATOM 1066 CE2 TYR A 476 62.082 7.415 3.985 1.00 0.00 C ATOM 1067 CZ TYR A 476 61.889 7.132 2.627 1.00 0.00 C ATOM 1068 OH TYR A 476 62.975 6.904 1.808 1.00 0.00 O ATOM 0 H TYR A 476 56.009 9.038 5.800 1.00 0.00 H new ATOM 0 HA TYR A 476 58.670 9.998 4.780 1.00 0.00 H new ATOM 0 HB2 TYR A 476 58.794 7.824 6.223 1.00 0.00 H new ATOM 0 HB3 TYR A 476 57.745 7.078 5.034 1.00 0.00 H new ATOM 0 HD1 TYR A 476 58.492 7.276 2.523 1.00 0.00 H new ATOM 0 HD2 TYR A 476 61.128 7.869 5.860 1.00 0.00 H new ATOM 0 HE1 TYR A 476 60.445 6.866 1.054 1.00 0.00 H new ATOM 0 HE2 TYR A 476 63.082 7.452 4.392 1.00 0.00 H new ATOM 0 HH TYR A 476 62.763 7.191 0.895 1.00 0.00 H new ATOM 1078 N TYR A 477 57.897 9.608 2.442 1.00 0.00 N ATOM 1079 CA TYR A 477 57.290 9.597 1.079 1.00 0.00 C ATOM 1080 C TYR A 477 58.302 9.075 0.055 1.00 0.00 C ATOM 1081 O TYR A 477 59.488 9.319 0.162 1.00 0.00 O ATOM 1082 CB TYR A 477 56.941 11.057 0.789 1.00 0.00 C ATOM 1083 CG TYR A 477 55.690 11.437 1.541 1.00 0.00 C ATOM 1084 CD1 TYR A 477 55.768 11.806 2.890 1.00 0.00 C ATOM 1085 CD2 TYR A 477 54.450 11.421 0.891 1.00 0.00 C ATOM 1086 CE1 TYR A 477 54.607 12.160 3.587 1.00 0.00 C ATOM 1087 CE2 TYR A 477 53.289 11.776 1.589 1.00 0.00 C ATOM 1088 CZ TYR A 477 53.367 12.144 2.937 1.00 0.00 C ATOM 1089 OH TYR A 477 52.223 12.493 3.625 1.00 0.00 O ATOM 0 H TYR A 477 58.853 9.962 2.486 1.00 0.00 H new ATOM 0 HA TYR A 477 56.415 8.949 1.022 1.00 0.00 H new ATOM 0 HB2 TYR A 477 57.766 11.704 1.085 1.00 0.00 H new ATOM 0 HB3 TYR A 477 56.792 11.200 -0.281 1.00 0.00 H new ATOM 0 HD1 TYR A 477 56.724 11.817 3.392 1.00 0.00 H new ATOM 0 HD2 TYR A 477 54.389 11.135 -0.149 1.00 0.00 H new ATOM 0 HE1 TYR A 477 54.668 12.446 4.627 1.00 0.00 H new ATOM 0 HE2 TYR A 477 52.333 11.766 1.087 1.00 0.00 H new ATOM 0 HH TYR A 477 51.449 12.430 3.027 1.00 0.00 H new ATOM 1099 N CYS A 478 57.840 8.362 -0.938 1.00 0.00 N ATOM 1100 CA CYS A 478 58.773 7.826 -1.973 1.00 0.00 C ATOM 1101 C CYS A 478 59.488 8.987 -2.683 1.00 0.00 C ATOM 1102 O CYS A 478 59.491 10.105 -2.207 1.00 0.00 O ATOM 1103 CB CYS A 478 57.882 7.023 -2.937 1.00 0.00 C ATOM 1104 SG CYS A 478 57.156 8.112 -4.189 1.00 0.00 S ATOM 0 H CYS A 478 56.857 8.127 -1.077 1.00 0.00 H new ATOM 0 HA CYS A 478 59.558 7.197 -1.553 1.00 0.00 H new ATOM 0 HB2 CYS A 478 58.471 6.244 -3.422 1.00 0.00 H new ATOM 0 HB3 CYS A 478 57.090 6.523 -2.379 1.00 0.00 H new ATOM 1109 N ASN A 479 60.094 8.729 -3.812 1.00 0.00 N ATOM 1110 CA ASN A 479 60.809 9.818 -4.542 1.00 0.00 C ATOM 1111 C ASN A 479 59.859 10.543 -5.502 1.00 0.00 C ATOM 1112 O ASN A 479 59.934 11.744 -5.672 1.00 0.00 O ATOM 1113 CB ASN A 479 61.916 9.110 -5.322 1.00 0.00 C ATOM 1114 CG ASN A 479 62.847 10.150 -5.951 1.00 0.00 C ATOM 1115 OD1 ASN A 479 62.953 10.234 -7.158 1.00 0.00 O ATOM 1116 ND2 ASN A 479 63.529 10.950 -5.179 1.00 0.00 N ATOM 0 H ASN A 479 60.125 7.813 -4.260 1.00 0.00 H new ATOM 0 HA ASN A 479 61.202 10.574 -3.862 1.00 0.00 H new ATOM 0 HB2 ASN A 479 62.481 8.456 -4.658 1.00 0.00 H new ATOM 0 HB3 ASN A 479 61.482 8.479 -6.098 1.00 0.00 H new ATOM 0 HD21 ASN A 479 64.151 11.646 -5.589 1.00 0.00 H new ATOM 0 HD22 ASN A 479 63.440 10.879 -4.165 1.00 0.00 H new ATOM 1123 N GLU A 480 58.975 9.821 -6.139 1.00 0.00 N ATOM 1124 CA GLU A 480 58.029 10.468 -7.098 1.00 0.00 C ATOM 1125 C GLU A 480 56.849 11.117 -6.362 1.00 0.00 C ATOM 1126 O GLU A 480 55.943 11.642 -6.979 1.00 0.00 O ATOM 1127 CB GLU A 480 57.536 9.331 -7.993 1.00 0.00 C ATOM 1128 CG GLU A 480 57.126 9.894 -9.355 1.00 0.00 C ATOM 1129 CD GLU A 480 58.354 9.976 -10.265 1.00 0.00 C ATOM 1130 OE1 GLU A 480 59.402 10.363 -9.779 1.00 0.00 O ATOM 1131 OE2 GLU A 480 58.222 9.649 -11.434 1.00 0.00 O ATOM 0 H GLU A 480 58.866 8.812 -6.037 1.00 0.00 H new ATOM 0 HA GLU A 480 58.513 11.264 -7.664 1.00 0.00 H new ATOM 0 HB2 GLU A 480 58.321 8.585 -8.117 1.00 0.00 H new ATOM 0 HB3 GLU A 480 56.689 8.827 -7.526 1.00 0.00 H new ATOM 0 HG2 GLU A 480 56.366 9.258 -9.809 1.00 0.00 H new ATOM 0 HG3 GLU A 480 56.684 10.883 -9.233 1.00 0.00 H new ATOM 1138 N HIS A 481 56.845 11.088 -5.053 1.00 0.00 N ATOM 1139 CA HIS A 481 55.716 11.706 -4.298 1.00 0.00 C ATOM 1140 C HIS A 481 56.253 12.512 -3.113 1.00 0.00 C ATOM 1141 O HIS A 481 55.581 12.684 -2.114 1.00 0.00 O ATOM 1142 CB HIS A 481 54.874 10.528 -3.806 1.00 0.00 C ATOM 1143 CG HIS A 481 54.367 9.739 -4.984 1.00 0.00 C ATOM 1144 ND1 HIS A 481 54.411 8.339 -5.021 1.00 0.00 N ATOM 1145 CD2 HIS A 481 53.811 10.130 -6.181 1.00 0.00 C ATOM 1146 CE1 HIS A 481 53.900 7.946 -6.205 1.00 0.00 C ATOM 1147 NE2 HIS A 481 53.531 8.998 -6.920 1.00 0.00 N ATOM 0 H HIS A 481 57.573 10.664 -4.477 1.00 0.00 H new ATOM 0 HA HIS A 481 55.135 12.392 -4.914 1.00 0.00 H new ATOM 0 HB2 HIS A 481 55.471 9.888 -3.157 1.00 0.00 H new ATOM 0 HB3 HIS A 481 54.036 10.891 -3.211 1.00 0.00 H new ATOM 0 HD2 HIS A 481 53.626 11.148 -6.489 1.00 0.00 H new ATOM 0 HE1 HIS A 481 53.805 6.919 -6.525 1.00 0.00 H new ATOM 0 HE2 HIS A 481 53.114 8.976 -7.851 1.00 0.00 H new ATOM 1155 N VAL A 482 57.459 13.005 -3.214 1.00 0.00 N ATOM 1156 CA VAL A 482 58.039 13.799 -2.091 1.00 0.00 C ATOM 1157 C VAL A 482 57.842 15.294 -2.340 1.00 0.00 C ATOM 1158 O VAL A 482 57.745 16.085 -1.422 1.00 0.00 O ATOM 1159 CB VAL A 482 59.528 13.434 -2.075 1.00 0.00 C ATOM 1160 CG1 VAL A 482 60.227 14.019 -3.307 1.00 0.00 C ATOM 1161 CG2 VAL A 482 60.175 13.996 -0.808 1.00 0.00 C ATOM 0 H VAL A 482 58.067 12.892 -4.025 1.00 0.00 H new ATOM 0 HA VAL A 482 57.560 13.579 -1.137 1.00 0.00 H new ATOM 0 HB VAL A 482 59.629 12.349 -2.090 1.00 0.00 H new ATOM 0 HG11 VAL A 482 61.284 13.754 -3.286 1.00 0.00 H new ATOM 0 HG12 VAL A 482 59.770 13.616 -4.211 1.00 0.00 H new ATOM 0 HG13 VAL A 482 60.125 15.104 -3.302 1.00 0.00 H new ATOM 0 HG21 VAL A 482 61.234 13.737 -0.795 1.00 0.00 H new ATOM 0 HG22 VAL A 482 60.066 15.080 -0.794 1.00 0.00 H new ATOM 0 HG23 VAL A 482 59.687 13.571 0.069 1.00 0.00 H new ATOM 1171 N GLN A 483 57.780 15.678 -3.580 1.00 0.00 N ATOM 1172 CA GLN A 483 57.586 17.120 -3.914 1.00 0.00 C ATOM 1173 C GLN A 483 56.106 17.405 -4.184 1.00 0.00 C ATOM 1174 O GLN A 483 55.762 18.339 -4.882 1.00 0.00 O ATOM 1175 CB GLN A 483 58.417 17.351 -5.177 1.00 0.00 C ATOM 1176 CG GLN A 483 59.147 18.695 -5.076 1.00 0.00 C ATOM 1177 CD GLN A 483 60.643 18.452 -4.857 1.00 0.00 C ATOM 1178 OE1 GLN A 483 61.470 19.088 -5.479 1.00 0.00 O ATOM 1179 NE2 GLN A 483 61.025 17.551 -3.995 1.00 0.00 N ATOM 0 H GLN A 483 57.855 15.055 -4.384 1.00 0.00 H new ATOM 0 HA GLN A 483 57.893 17.777 -3.100 1.00 0.00 H new ATOM 0 HB2 GLN A 483 59.138 16.543 -5.303 1.00 0.00 H new ATOM 0 HB3 GLN A 483 57.772 17.342 -6.055 1.00 0.00 H new ATOM 0 HG2 GLN A 483 58.992 19.274 -5.986 1.00 0.00 H new ATOM 0 HG3 GLN A 483 58.739 19.281 -4.252 1.00 0.00 H new ATOM 0 HE21 GLN A 483 60.330 17.017 -3.473 1.00 0.00 H new ATOM 0 HE22 GLN A 483 62.019 17.380 -3.843 1.00 0.00 H new ATOM 1188 N ILE A 484 55.228 16.608 -3.635 1.00 0.00 N ATOM 1189 CA ILE A 484 53.770 16.831 -3.859 1.00 0.00 C ATOM 1190 C ILE A 484 53.009 16.699 -2.536 1.00 0.00 C ATOM 1191 O ILE A 484 52.522 15.639 -2.193 1.00 0.00 O ATOM 1192 CB ILE A 484 53.344 15.733 -4.837 1.00 0.00 C ATOM 1193 CG1 ILE A 484 54.144 15.869 -6.136 1.00 0.00 C ATOM 1194 CG2 ILE A 484 51.852 15.871 -5.145 1.00 0.00 C ATOM 1195 CD1 ILE A 484 53.820 14.695 -7.063 1.00 0.00 C ATOM 0 H ILE A 484 55.458 15.812 -3.041 1.00 0.00 H new ATOM 0 HA ILE A 484 53.559 17.826 -4.251 1.00 0.00 H new ATOM 0 HB ILE A 484 53.534 14.757 -4.390 1.00 0.00 H new ATOM 0 HG12 ILE A 484 53.902 16.811 -6.627 1.00 0.00 H new ATOM 0 HG13 ILE A 484 55.212 15.889 -5.917 1.00 0.00 H new ATOM 0 HG21 ILE A 484 51.550 15.089 -5.841 1.00 0.00 H new ATOM 0 HG22 ILE A 484 51.280 15.776 -4.222 1.00 0.00 H new ATOM 0 HG23 ILE A 484 51.661 16.847 -5.591 1.00 0.00 H new ATOM 0 HD11 ILE A 484 54.390 14.793 -7.987 1.00 0.00 H new ATOM 0 HD12 ILE A 484 54.085 13.759 -6.571 1.00 0.00 H new ATOM 0 HD13 ILE A 484 52.754 14.696 -7.292 1.00 0.00 H new ATOM 1207 N ALA A 485 52.905 17.767 -1.793 1.00 0.00 N ATOM 1208 CA ALA A 485 52.176 17.706 -0.492 1.00 0.00 C ATOM 1209 C ALA A 485 50.669 17.586 -0.735 1.00 0.00 C ATOM 1210 O ALA A 485 49.991 18.566 -0.979 1.00 0.00 O ATOM 1211 CB ALA A 485 52.502 19.025 0.211 1.00 0.00 C ATOM 0 H ALA A 485 53.293 18.680 -2.030 1.00 0.00 H new ATOM 0 HA ALA A 485 52.472 16.843 0.105 1.00 0.00 H new ATOM 0 HB1 ALA A 485 52.000 19.055 1.178 1.00 0.00 H new ATOM 0 HB2 ALA A 485 53.579 19.102 0.358 1.00 0.00 H new ATOM 0 HB3 ALA A 485 52.159 19.858 -0.402 1.00 0.00 H new ATOM 1217 N ARG A 486 50.142 16.393 -0.670 1.00 0.00 N ATOM 1218 CA ARG A 486 48.679 16.208 -0.897 1.00 0.00 C ATOM 1219 C ARG A 486 48.011 15.668 0.370 1.00 0.00 C ATOM 1220 O ARG A 486 48.603 14.919 1.124 1.00 0.00 O ATOM 1221 CB ARG A 486 48.581 15.187 -2.031 1.00 0.00 C ATOM 1222 CG ARG A 486 47.394 15.537 -2.931 1.00 0.00 C ATOM 1223 CD ARG A 486 47.690 15.088 -4.363 1.00 0.00 C ATOM 1224 NE ARG A 486 46.447 15.391 -5.124 1.00 0.00 N ATOM 1225 CZ ARG A 486 46.500 15.576 -6.414 1.00 0.00 C ATOM 1226 NH1 ARG A 486 46.653 14.556 -7.213 1.00 0.00 N ATOM 1227 NH2 ARG A 486 46.400 16.781 -6.905 1.00 0.00 N ATOM 0 H ARG A 486 50.661 15.538 -0.470 1.00 0.00 H new ATOM 0 HA ARG A 486 48.178 17.144 -1.146 1.00 0.00 H new ATOM 0 HB2 ARG A 486 49.503 15.183 -2.612 1.00 0.00 H new ATOM 0 HB3 ARG A 486 48.458 14.184 -1.622 1.00 0.00 H new ATOM 0 HG2 ARG A 486 46.490 15.050 -2.565 1.00 0.00 H new ATOM 0 HG3 ARG A 486 47.209 16.611 -2.906 1.00 0.00 H new ATOM 0 HD2 ARG A 486 48.546 15.622 -4.776 1.00 0.00 H new ATOM 0 HD3 ARG A 486 47.928 14.025 -4.403 1.00 0.00 H new ATOM 0 HE ARG A 486 45.553 15.454 -4.636 1.00 0.00 H new ATOM 0 HH11 ARG A 486 46.731 13.614 -6.829 1.00 0.00 H new ATOM 0 HH12 ARG A 486 46.694 14.700 -8.222 1.00 0.00 H new ATOM 0 HH21 ARG A 486 46.280 17.578 -6.280 1.00 0.00 H new ATOM 0 HH22 ARG A 486 46.441 16.926 -7.914 1.00 0.00 H new ATOM 1241 N ALA A 487 46.781 16.043 0.610 1.00 0.00 N ATOM 1242 CA ALA A 487 46.066 15.555 1.829 1.00 0.00 C ATOM 1243 C ALA A 487 46.899 15.834 3.085 1.00 0.00 C ATOM 1244 O ALA A 487 47.715 16.740 3.040 1.00 0.00 O ATOM 1245 CB ALA A 487 45.898 14.048 1.620 1.00 0.00 C ATOM 1246 OXT ALA A 487 46.706 15.136 4.067 1.00 0.00 O ATOM 0 H ALA A 487 46.239 16.668 0.013 1.00 0.00 H new ATOM 0 HA ALA A 487 45.108 16.055 1.968 1.00 0.00 H new ATOM 0 HB1 ALA A 487 45.380 13.617 2.477 1.00 0.00 H new ATOM 0 HB2 ALA A 487 45.316 13.869 0.716 1.00 0.00 H new ATOM 0 HB3 ALA A 487 46.879 13.583 1.518 1.00 0.00 H new TER 1252 ALA A 487 HETATM 1253 ZN ZN A 488 64.238 0.087 -5.535 1.00 0.00 ZN HETATM 1254 ZN ZN A 489 55.149 7.048 -3.614 1.00 0.00 ZN