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= -2.89 USER MOD Set 1.2: A 459 MET CE :methyl 161:sc= -1.96 (180deg=-2.36!) USER MOD Single : A 410 SER OG : rot 180:sc=-0.000702 USER MOD Single : A 415 TYR OH : rot 180:sc= -0.11 USER MOD Single : A 418 THR OG1 : rot 180:sc= 0.0637 USER MOD Single : A 422 THR OG1 : rot -52:sc= 0.835 USER MOD Single : A 428 ASN : amide:sc= -0.254 X(o=-0.25,f=0) USER MOD Single : A 429 THR OG1 : rot -23:sc= 0.828 USER MOD Single : A 434 TYR OH : rot 180:sc= -0.0503 USER MOD Single : A 435 SER OG : rot 180:sc= 0 USER MOD Single : A 436 THR OG1 : rot 180:sc= 0.0149 USER MOD Single : A 439 ASN : amide:sc= -1.41 X(o=-1.4,f=-1.8) USER MOD Single : A 440 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 443 MET CE :methyl -147:sc= -5.22! (180deg=-7.78!) USER MOD Single : A 445 TYR OH : rot -139:sc= 1.1 USER MOD Single : A 447 SER OG : rot -56:sc= 0.549 USER MOD Single : A 448 HIS : no HD1:sc= -1.21 X(o=-1.2,f=-1) USER MOD Single : A 457 GLN : amide:sc= -1.12 K(o=-1.1,f=0.68) USER MOD Single : A 465 THR OG1 : rot 180:sc= 0.0118 USER MOD Single : A 468 HIS : no HD1:sc= -2.77! K(o=-2.8!,f=-1.1) USER MOD Single : A 470 SER OG : rot 180:sc= 0 USER MOD Single : A 473 SER OG : rot 180:sc= 0 USER MOD Single : A 474 ASN : amide:sc= -0.6 X(o=-0.6,f=-0.26) USER MOD Single : A 475 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 476 TYR OH : rot 150:sc= -2.29! USER MOD Single : A 477 TYR OH : rot 180:sc= 0 USER MOD Single : A 479 ASN : amide:sc= -0.859 K(o=-0.86,f=1.1) USER MOD Single : A 483 GLN : amide:sc= -0.0426 X(o=-0.043,f=-0.29) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 406 60.157 -26.963 -18.051 1.00 0.00 N ATOM 2 CA GLY A 406 60.863 -25.688 -18.366 1.00 0.00 C ATOM 3 C GLY A 406 61.105 -24.902 -17.073 1.00 0.00 C ATOM 4 O GLY A 406 60.395 -25.077 -16.102 1.00 0.00 O ATOM 0 HA2 GLY A 406 61.812 -25.898 -18.859 1.00 0.00 H new ATOM 0 HA3 GLY A 406 60.269 -25.093 -19.059 1.00 0.00 H new ATOM 10 N PRO A 407 62.105 -24.059 -17.102 1.00 0.00 N ATOM 11 CA PRO A 407 62.440 -23.240 -15.911 1.00 0.00 C ATOM 12 C PRO A 407 61.396 -22.138 -15.710 1.00 0.00 C ATOM 13 O PRO A 407 61.152 -21.333 -16.587 1.00 0.00 O ATOM 14 CB PRO A 407 63.801 -22.642 -16.258 1.00 0.00 C ATOM 15 CG PRO A 407 63.852 -22.634 -17.753 1.00 0.00 C ATOM 16 CD PRO A 407 63.008 -23.788 -18.229 1.00 0.00 C ATOM 0 HA PRO A 407 62.456 -23.816 -14.986 1.00 0.00 H new ATOM 0 HB2 PRO A 407 63.904 -21.635 -15.854 1.00 0.00 H new ATOM 0 HB3 PRO A 407 64.612 -23.238 -15.839 1.00 0.00 H new ATOM 0 HG2 PRO A 407 63.473 -21.691 -18.147 1.00 0.00 H new ATOM 0 HG3 PRO A 407 64.879 -22.736 -18.104 1.00 0.00 H new ATOM 0 HD2 PRO A 407 62.453 -23.531 -19.131 1.00 0.00 H new ATOM 0 HD3 PRO A 407 63.620 -24.658 -18.468 1.00 0.00 H new ATOM 24 N LEU A 408 60.779 -22.098 -14.559 1.00 0.00 N ATOM 25 CA LEU A 408 59.749 -21.050 -14.297 1.00 0.00 C ATOM 26 C LEU A 408 60.085 -20.268 -13.021 1.00 0.00 C ATOM 27 O LEU A 408 59.371 -19.363 -12.634 1.00 0.00 O ATOM 28 CB LEU A 408 58.435 -21.815 -14.127 1.00 0.00 C ATOM 29 CG LEU A 408 58.583 -22.857 -13.013 1.00 0.00 C ATOM 30 CD1 LEU A 408 57.294 -22.918 -12.192 1.00 0.00 C ATOM 31 CD2 LEU A 408 58.856 -24.230 -13.634 1.00 0.00 C ATOM 0 H LEU A 408 60.944 -22.746 -13.789 1.00 0.00 H new ATOM 0 HA LEU A 408 59.696 -20.321 -15.105 1.00 0.00 H new ATOM 0 HB2 LEU A 408 57.629 -21.122 -13.885 1.00 0.00 H new ATOM 0 HB3 LEU A 408 58.165 -22.305 -15.062 1.00 0.00 H new ATOM 0 HG LEU A 408 59.413 -22.577 -12.364 1.00 0.00 H new ATOM 0 HD11 LEU A 408 57.402 -23.660 -11.400 1.00 0.00 H new ATOM 0 HD12 LEU A 408 57.098 -21.941 -11.750 1.00 0.00 H new ATOM 0 HD13 LEU A 408 56.463 -23.197 -12.840 1.00 0.00 H new ATOM 0 HD21 LEU A 408 58.962 -24.973 -12.843 1.00 0.00 H new ATOM 0 HD22 LEU A 408 58.026 -24.507 -14.283 1.00 0.00 H new ATOM 0 HD23 LEU A 408 59.775 -24.189 -14.218 1.00 0.00 H new ATOM 43 N GLY A 409 61.165 -20.605 -12.364 1.00 0.00 N ATOM 44 CA GLY A 409 61.539 -19.877 -11.117 1.00 0.00 C ATOM 45 C GLY A 409 62.346 -18.631 -11.479 1.00 0.00 C ATOM 46 O GLY A 409 62.301 -17.629 -10.792 1.00 0.00 O ATOM 0 H GLY A 409 61.803 -21.352 -12.638 1.00 0.00 H new ATOM 0 HA2 GLY A 409 60.643 -19.595 -10.565 1.00 0.00 H new ATOM 0 HA3 GLY A 409 62.124 -20.526 -10.465 1.00 0.00 H new ATOM 50 N SER A 410 63.085 -18.685 -12.556 1.00 0.00 N ATOM 51 CA SER A 410 63.898 -17.503 -12.968 1.00 0.00 C ATOM 52 C SER A 410 62.988 -16.293 -13.229 1.00 0.00 C ATOM 53 O SER A 410 63.181 -15.244 -12.647 1.00 0.00 O ATOM 54 CB SER A 410 64.615 -17.939 -14.249 1.00 0.00 C ATOM 55 OG SER A 410 64.745 -16.829 -15.127 1.00 0.00 O ATOM 0 H SER A 410 63.161 -19.497 -13.168 1.00 0.00 H new ATOM 0 HA SER A 410 64.605 -17.198 -12.196 1.00 0.00 H new ATOM 0 HB2 SER A 410 65.599 -18.341 -14.008 1.00 0.00 H new ATOM 0 HB3 SER A 410 64.055 -18.737 -14.737 1.00 0.00 H new ATOM 0 HG SER A 410 65.206 -17.111 -15.945 1.00 0.00 H new ATOM 61 N PRO A 411 62.021 -16.472 -14.098 1.00 0.00 N ATOM 62 CA PRO A 411 61.086 -15.366 -14.422 1.00 0.00 C ATOM 63 C PRO A 411 60.123 -15.122 -13.256 1.00 0.00 C ATOM 64 O PRO A 411 58.937 -15.367 -13.357 1.00 0.00 O ATOM 65 CB PRO A 411 60.337 -15.874 -15.651 1.00 0.00 C ATOM 66 CG PRO A 411 60.423 -17.364 -15.569 1.00 0.00 C ATOM 67 CD PRO A 411 61.707 -17.696 -14.852 1.00 0.00 C ATOM 0 HA PRO A 411 61.591 -14.417 -14.602 1.00 0.00 H new ATOM 0 HB2 PRO A 411 59.300 -15.538 -15.648 1.00 0.00 H new ATOM 0 HB3 PRO A 411 60.790 -15.503 -16.570 1.00 0.00 H new ATOM 0 HG2 PRO A 411 59.566 -17.770 -15.032 1.00 0.00 H new ATOM 0 HG3 PRO A 411 60.413 -17.806 -16.565 1.00 0.00 H new ATOM 0 HD2 PRO A 411 61.584 -18.552 -14.189 1.00 0.00 H new ATOM 0 HD3 PRO A 411 62.502 -17.948 -15.554 1.00 0.00 H new ATOM 75 N GLU A 412 60.628 -14.641 -12.152 1.00 0.00 N ATOM 76 CA GLU A 412 59.747 -14.379 -10.976 1.00 0.00 C ATOM 77 C GLU A 412 60.172 -13.084 -10.278 1.00 0.00 C ATOM 78 O GLU A 412 61.343 -12.843 -10.059 1.00 0.00 O ATOM 79 CB GLU A 412 59.953 -15.580 -10.053 1.00 0.00 C ATOM 80 CG GLU A 412 58.960 -15.508 -8.891 1.00 0.00 C ATOM 81 CD GLU A 412 59.174 -16.704 -7.961 1.00 0.00 C ATOM 82 OE1 GLU A 412 60.036 -16.616 -7.103 1.00 0.00 O ATOM 83 OE2 GLU A 412 58.472 -17.689 -8.125 1.00 0.00 O ATOM 0 H GLU A 412 61.614 -14.418 -12.013 1.00 0.00 H new ATOM 0 HA GLU A 412 58.701 -14.259 -11.259 1.00 0.00 H new ATOM 0 HB2 GLU A 412 59.812 -16.507 -10.608 1.00 0.00 H new ATOM 0 HB3 GLU A 412 60.974 -15.588 -9.672 1.00 0.00 H new ATOM 0 HG2 GLU A 412 59.095 -14.577 -8.340 1.00 0.00 H new ATOM 0 HG3 GLU A 412 57.938 -15.508 -9.271 1.00 0.00 H new ATOM 90 N PHE A 413 59.230 -12.248 -9.931 1.00 0.00 N ATOM 91 CA PHE A 413 59.581 -10.966 -9.251 1.00 0.00 C ATOM 92 C PHE A 413 58.886 -10.877 -7.888 1.00 0.00 C ATOM 93 O PHE A 413 57.989 -11.639 -7.586 1.00 0.00 O ATOM 94 CB PHE A 413 59.076 -9.864 -10.187 1.00 0.00 C ATOM 95 CG PHE A 413 57.593 -10.034 -10.426 1.00 0.00 C ATOM 96 CD1 PHE A 413 56.674 -9.605 -9.461 1.00 0.00 C ATOM 97 CD2 PHE A 413 57.138 -10.622 -11.612 1.00 0.00 C ATOM 98 CE1 PHE A 413 55.301 -9.762 -9.682 1.00 0.00 C ATOM 99 CE2 PHE A 413 55.765 -10.780 -11.834 1.00 0.00 C ATOM 100 CZ PHE A 413 54.847 -10.350 -10.869 1.00 0.00 C ATOM 0 H PHE A 413 58.233 -12.397 -10.089 1.00 0.00 H new ATOM 0 HA PHE A 413 60.652 -10.881 -9.065 1.00 0.00 H new ATOM 0 HB2 PHE A 413 59.273 -8.885 -9.750 1.00 0.00 H new ATOM 0 HB3 PHE A 413 59.613 -9.905 -11.135 1.00 0.00 H new ATOM 0 HD1 PHE A 413 57.025 -9.153 -8.545 1.00 0.00 H new ATOM 0 HD2 PHE A 413 57.847 -10.954 -12.356 1.00 0.00 H new ATOM 0 HE1 PHE A 413 54.592 -9.430 -8.938 1.00 0.00 H new ATOM 0 HE2 PHE A 413 55.414 -11.233 -12.749 1.00 0.00 H new ATOM 0 HZ PHE A 413 53.788 -10.472 -11.040 1.00 0.00 H new ATOM 110 N GLY A 414 59.298 -9.950 -7.065 1.00 0.00 N ATOM 111 CA GLY A 414 58.669 -9.804 -5.721 1.00 0.00 C ATOM 112 C GLY A 414 59.401 -8.714 -4.935 1.00 0.00 C ATOM 113 O GLY A 414 58.879 -7.639 -4.713 1.00 0.00 O ATOM 0 H GLY A 414 60.045 -9.286 -7.267 1.00 0.00 H new ATOM 0 HA2 GLY A 414 57.615 -9.547 -5.826 1.00 0.00 H new ATOM 0 HA3 GLY A 414 58.714 -10.750 -5.181 1.00 0.00 H new ATOM 117 N TYR A 415 60.609 -8.984 -4.517 1.00 0.00 N ATOM 118 CA TYR A 415 61.384 -7.967 -3.751 1.00 0.00 C ATOM 119 C TYR A 415 62.446 -7.335 -4.656 1.00 0.00 C ATOM 120 O TYR A 415 62.792 -6.178 -4.517 1.00 0.00 O ATOM 121 CB TYR A 415 62.042 -8.749 -2.611 1.00 0.00 C ATOM 122 CG TYR A 415 61.859 -8.005 -1.309 1.00 0.00 C ATOM 123 CD1 TYR A 415 62.096 -6.628 -1.254 1.00 0.00 C ATOM 124 CD2 TYR A 415 61.453 -8.692 -0.158 1.00 0.00 C ATOM 125 CE1 TYR A 415 61.929 -5.936 -0.050 1.00 0.00 C ATOM 126 CE2 TYR A 415 61.286 -8.000 1.047 1.00 0.00 C ATOM 127 CZ TYR A 415 61.523 -6.622 1.101 1.00 0.00 C ATOM 128 OH TYR A 415 61.359 -5.939 2.290 1.00 0.00 O ATOM 0 H TYR A 415 61.093 -9.868 -4.674 1.00 0.00 H new ATOM 0 HA TYR A 415 60.758 -7.157 -3.377 1.00 0.00 H new ATOM 0 HB2 TYR A 415 61.601 -9.743 -2.538 1.00 0.00 H new ATOM 0 HB3 TYR A 415 63.104 -8.886 -2.817 1.00 0.00 H new ATOM 0 HD1 TYR A 415 62.408 -6.098 -2.142 1.00 0.00 H new ATOM 0 HD2 TYR A 415 61.269 -9.755 -0.200 1.00 0.00 H new ATOM 0 HE1 TYR A 415 62.113 -4.873 -0.008 1.00 0.00 H new ATOM 0 HE2 TYR A 415 60.974 -8.530 1.935 1.00 0.00 H new ATOM 0 HH TYR A 415 61.073 -6.563 2.989 1.00 0.00 H new ATOM 138 N TRP A 416 62.957 -8.095 -5.585 1.00 0.00 N ATOM 139 CA TRP A 416 63.995 -7.562 -6.517 1.00 0.00 C ATOM 140 C TRP A 416 63.318 -6.793 -7.655 1.00 0.00 C ATOM 141 O TRP A 416 63.466 -7.125 -8.816 1.00 0.00 O ATOM 142 CB TRP A 416 64.700 -8.810 -7.052 1.00 0.00 C ATOM 143 CG TRP A 416 65.318 -9.540 -5.906 1.00 0.00 C ATOM 144 CD1 TRP A 416 64.984 -10.787 -5.498 1.00 0.00 C ATOM 145 CD2 TRP A 416 66.360 -9.080 -5.009 1.00 0.00 C ATOM 146 NE1 TRP A 416 65.762 -11.118 -4.401 1.00 0.00 N ATOM 147 CE2 TRP A 416 66.627 -10.095 -4.063 1.00 0.00 C ATOM 148 CE3 TRP A 416 67.092 -7.886 -4.929 1.00 0.00 C ATOM 149 CZ2 TRP A 416 67.592 -9.929 -3.068 1.00 0.00 C ATOM 150 CZ3 TRP A 416 68.061 -7.715 -3.935 1.00 0.00 C ATOM 151 CH2 TRP A 416 68.313 -8.731 -3.005 1.00 0.00 C ATOM 0 H TRP A 416 62.699 -9.070 -5.741 1.00 0.00 H new ATOM 0 HA TRP A 416 64.690 -6.874 -6.036 1.00 0.00 H new ATOM 0 HB2 TRP A 416 63.988 -9.453 -7.570 1.00 0.00 H new ATOM 0 HB3 TRP A 416 65.464 -8.530 -7.778 1.00 0.00 H new ATOM 0 HD1 TRP A 416 64.235 -11.419 -5.953 1.00 0.00 H new ATOM 0 HE1 TRP A 416 65.704 -12.007 -3.904 1.00 0.00 H new ATOM 0 HE3 TRP A 416 66.906 -7.094 -5.639 1.00 0.00 H new ATOM 0 HZ2 TRP A 416 67.780 -10.717 -2.354 1.00 0.00 H new ATOM 0 HZ3 TRP A 416 68.619 -6.792 -3.884 1.00 0.00 H new ATOM 0 HH2 TRP A 416 69.063 -8.590 -2.240 1.00 0.00 H new ATOM 162 N ILE A 417 62.559 -5.780 -7.330 1.00 0.00 N ATOM 163 CA ILE A 417 61.852 -5.001 -8.393 1.00 0.00 C ATOM 164 C ILE A 417 62.417 -3.583 -8.504 1.00 0.00 C ATOM 165 O ILE A 417 63.518 -3.303 -8.070 1.00 0.00 O ATOM 166 CB ILE A 417 60.388 -4.960 -7.938 1.00 0.00 C ATOM 167 CG1 ILE A 417 60.275 -4.177 -6.622 1.00 0.00 C ATOM 168 CG2 ILE A 417 59.882 -6.385 -7.723 1.00 0.00 C ATOM 169 CD1 ILE A 417 59.488 -2.885 -6.857 1.00 0.00 C ATOM 0 H ILE A 417 62.397 -5.457 -6.376 1.00 0.00 H new ATOM 0 HA ILE A 417 61.971 -5.456 -9.376 1.00 0.00 H new ATOM 0 HB ILE A 417 59.788 -4.469 -8.704 1.00 0.00 H new ATOM 0 HG12 ILE A 417 59.777 -4.785 -5.867 1.00 0.00 H new ATOM 0 HG13 ILE A 417 61.269 -3.945 -6.239 1.00 0.00 H new ATOM 0 HG21 ILE A 417 58.841 -6.357 -7.400 1.00 0.00 H new ATOM 0 HG22 ILE A 417 59.957 -6.942 -8.657 1.00 0.00 H new ATOM 0 HG23 ILE A 417 60.486 -6.874 -6.959 1.00 0.00 H new ATOM 0 HD11 ILE A 417 59.409 -2.332 -5.921 1.00 0.00 H new ATOM 0 HD12 ILE A 417 60.004 -2.274 -7.598 1.00 0.00 H new ATOM 0 HD13 ILE A 417 58.489 -3.128 -7.220 1.00 0.00 H new ATOM 181 N THR A 418 61.664 -2.688 -9.087 1.00 0.00 N ATOM 182 CA THR A 418 62.138 -1.283 -9.237 1.00 0.00 C ATOM 183 C THR A 418 61.325 -0.350 -8.335 1.00 0.00 C ATOM 184 O THR A 418 60.308 0.185 -8.733 1.00 0.00 O ATOM 185 CB THR A 418 61.907 -0.938 -10.712 1.00 0.00 C ATOM 186 OG1 THR A 418 60.834 -1.719 -11.225 1.00 0.00 O ATOM 187 CG2 THR A 418 63.180 -1.224 -11.511 1.00 0.00 C ATOM 0 H THR A 418 60.736 -2.872 -9.468 1.00 0.00 H new ATOM 0 HA THR A 418 63.184 -1.170 -8.951 1.00 0.00 H new ATOM 0 HB THR A 418 61.655 0.119 -10.800 1.00 0.00 H new ATOM 0 HG1 THR A 418 60.688 -1.495 -12.168 1.00 0.00 H new ATOM 0 HG21 THR A 418 63.014 -0.978 -12.560 1.00 0.00 H new ATOM 0 HG22 THR A 418 63.998 -0.618 -11.121 1.00 0.00 H new ATOM 0 HG23 THR A 418 63.436 -2.280 -11.422 1.00 0.00 H new ATOM 195 N CYS A 419 61.771 -0.147 -7.124 1.00 0.00 N ATOM 196 CA CYS A 419 61.039 0.757 -6.183 1.00 0.00 C ATOM 197 C CYS A 419 60.767 2.115 -6.849 1.00 0.00 C ATOM 198 O CYS A 419 59.834 2.813 -6.502 1.00 0.00 O ATOM 199 CB CYS A 419 61.983 0.889 -4.980 1.00 0.00 C ATOM 200 SG CYS A 419 63.185 2.221 -5.239 1.00 0.00 S ATOM 0 H CYS A 419 62.617 -0.571 -6.742 1.00 0.00 H new ATOM 0 HA CYS A 419 60.062 0.372 -5.890 1.00 0.00 H new ATOM 0 HB2 CYS A 419 61.403 1.088 -4.079 1.00 0.00 H new ATOM 0 HB3 CYS A 419 62.508 -0.053 -4.820 1.00 0.00 H new ATOM 205 N CYS A 420 61.577 2.483 -7.806 1.00 0.00 N ATOM 206 CA CYS A 420 61.378 3.785 -8.505 1.00 0.00 C ATOM 207 C CYS A 420 61.287 3.546 -10.020 1.00 0.00 C ATOM 208 O CYS A 420 61.280 2.414 -10.461 1.00 0.00 O ATOM 209 CB CYS A 420 62.619 4.610 -8.153 1.00 0.00 C ATOM 210 SG CYS A 420 62.126 6.108 -7.261 1.00 0.00 S ATOM 0 H CYS A 420 62.372 1.934 -8.135 1.00 0.00 H new ATOM 0 HA CYS A 420 60.461 4.293 -8.207 1.00 0.00 H new ATOM 0 HB2 CYS A 420 63.299 4.018 -7.540 1.00 0.00 H new ATOM 0 HB3 CYS A 420 63.159 4.877 -9.061 1.00 0.00 H new ATOM 0 HG CYS A 420 63.183 6.803 -6.963 1.00 0.00 H new ATOM 216 N PRO A 421 61.221 4.617 -10.775 1.00 0.00 N ATOM 217 CA PRO A 421 61.131 4.491 -12.246 1.00 0.00 C ATOM 218 C PRO A 421 62.512 4.195 -12.844 1.00 0.00 C ATOM 219 O PRO A 421 62.636 3.840 -13.999 1.00 0.00 O ATOM 220 CB PRO A 421 60.615 5.857 -12.691 1.00 0.00 C ATOM 221 CG PRO A 421 61.020 6.812 -11.611 1.00 0.00 C ATOM 222 CD PRO A 421 61.226 6.020 -10.341 1.00 0.00 C ATOM 0 HA PRO A 421 60.485 3.675 -12.571 1.00 0.00 H new ATOM 0 HB2 PRO A 421 61.045 6.145 -13.650 1.00 0.00 H new ATOM 0 HB3 PRO A 421 59.532 5.845 -12.818 1.00 0.00 H new ATOM 0 HG2 PRO A 421 61.936 7.334 -11.888 1.00 0.00 H new ATOM 0 HG3 PRO A 421 60.252 7.572 -11.466 1.00 0.00 H new ATOM 0 HD2 PRO A 421 62.167 6.282 -9.858 1.00 0.00 H new ATOM 0 HD3 PRO A 421 60.433 6.215 -9.619 1.00 0.00 H new ATOM 230 N THR A 422 63.549 4.333 -12.060 1.00 0.00 N ATOM 231 CA THR A 422 64.924 4.052 -12.568 1.00 0.00 C ATOM 232 C THR A 422 65.719 3.300 -11.498 1.00 0.00 C ATOM 233 O THR A 422 66.842 3.644 -11.186 1.00 0.00 O ATOM 234 CB THR A 422 65.543 5.428 -12.834 1.00 0.00 C ATOM 235 OG1 THR A 422 66.889 5.265 -13.256 1.00 0.00 O ATOM 236 CG2 THR A 422 65.506 6.272 -11.556 1.00 0.00 C ATOM 0 H THR A 422 63.502 4.630 -11.085 1.00 0.00 H new ATOM 0 HA THR A 422 64.922 3.435 -13.466 1.00 0.00 H new ATOM 0 HB THR A 422 64.973 5.934 -13.613 1.00 0.00 H new ATOM 0 HG1 THR A 422 67.365 4.693 -12.618 1.00 0.00 H new ATOM 0 HG21 THR A 422 65.948 7.249 -11.752 1.00 0.00 H new ATOM 0 HG22 THR A 422 64.473 6.399 -11.234 1.00 0.00 H new ATOM 0 HG23 THR A 422 66.071 5.769 -10.771 1.00 0.00 H new ATOM 244 N CYS A 423 65.133 2.281 -10.929 1.00 0.00 N ATOM 245 CA CYS A 423 65.836 1.504 -9.867 1.00 0.00 C ATOM 246 C CYS A 423 66.448 0.223 -10.446 1.00 0.00 C ATOM 247 O CYS A 423 66.058 -0.246 -11.497 1.00 0.00 O ATOM 248 CB CYS A 423 64.739 1.167 -8.852 1.00 0.00 C ATOM 249 SG CYS A 423 65.431 0.168 -7.509 1.00 0.00 S ATOM 0 H CYS A 423 64.194 1.952 -11.155 1.00 0.00 H new ATOM 0 HA CYS A 423 66.659 2.062 -9.421 1.00 0.00 H new ATOM 0 HB2 CYS A 423 64.308 2.084 -8.450 1.00 0.00 H new ATOM 0 HB3 CYS A 423 63.931 0.624 -9.343 1.00 0.00 H new ATOM 254 N ASP A 424 67.400 -0.344 -9.755 1.00 0.00 N ATOM 255 CA ASP A 424 68.045 -1.597 -10.241 1.00 0.00 C ATOM 256 C ASP A 424 68.421 -2.478 -9.046 1.00 0.00 C ATOM 257 O ASP A 424 69.482 -3.068 -9.005 1.00 0.00 O ATOM 258 CB ASP A 424 69.297 -1.137 -10.988 1.00 0.00 C ATOM 259 CG ASP A 424 68.927 -0.769 -12.425 1.00 0.00 C ATOM 260 OD1 ASP A 424 68.128 -1.481 -13.012 1.00 0.00 O ATOM 261 OD2 ASP A 424 69.447 0.219 -12.917 1.00 0.00 O ATOM 0 H ASP A 424 67.761 0.010 -8.869 1.00 0.00 H new ATOM 0 HA ASP A 424 67.389 -2.185 -10.883 1.00 0.00 H new ATOM 0 HB2 ASP A 424 69.739 -0.278 -10.484 1.00 0.00 H new ATOM 0 HB3 ASP A 424 70.046 -1.929 -10.985 1.00 0.00 H new ATOM 266 N VAL A 425 67.554 -2.563 -8.071 1.00 0.00 N ATOM 267 CA VAL A 425 67.850 -3.396 -6.868 1.00 0.00 C ATOM 268 C VAL A 425 67.796 -4.884 -7.227 1.00 0.00 C ATOM 269 O VAL A 425 66.762 -5.413 -7.585 1.00 0.00 O ATOM 270 CB VAL A 425 66.758 -3.021 -5.855 1.00 0.00 C ATOM 271 CG1 VAL A 425 66.646 -4.095 -4.765 1.00 0.00 C ATOM 272 CG2 VAL A 425 67.117 -1.681 -5.205 1.00 0.00 C ATOM 0 H VAL A 425 66.651 -2.090 -8.056 1.00 0.00 H new ATOM 0 HA VAL A 425 68.847 -3.217 -6.466 1.00 0.00 H new ATOM 0 HB VAL A 425 65.803 -2.945 -6.375 1.00 0.00 H new ATOM 0 HG11 VAL A 425 65.868 -3.814 -4.056 1.00 0.00 H new ATOM 0 HG12 VAL A 425 66.392 -5.052 -5.222 1.00 0.00 H new ATOM 0 HG13 VAL A 425 67.598 -4.184 -4.242 1.00 0.00 H new ATOM 0 HG21 VAL A 425 66.346 -1.408 -4.484 1.00 0.00 H new ATOM 0 HG22 VAL A 425 68.076 -1.770 -4.694 1.00 0.00 H new ATOM 0 HG23 VAL A 425 67.185 -0.911 -5.973 1.00 0.00 H new ATOM 282 N ASP A 426 68.909 -5.555 -7.125 1.00 0.00 N ATOM 283 CA ASP A 426 68.949 -7.010 -7.448 1.00 0.00 C ATOM 284 C ASP A 426 70.059 -7.684 -6.639 1.00 0.00 C ATOM 285 O ASP A 426 71.147 -7.159 -6.510 1.00 0.00 O ATOM 286 CB ASP A 426 69.256 -7.076 -8.944 1.00 0.00 C ATOM 287 CG ASP A 426 67.947 -7.097 -9.735 1.00 0.00 C ATOM 288 OD1 ASP A 426 67.389 -8.171 -9.890 1.00 0.00 O ATOM 289 OD2 ASP A 426 67.526 -6.039 -10.173 1.00 0.00 O ATOM 0 H ASP A 426 69.800 -5.155 -6.830 1.00 0.00 H new ATOM 0 HA ASP A 426 68.017 -7.520 -7.206 1.00 0.00 H new ATOM 0 HB2 ASP A 426 69.858 -6.217 -9.240 1.00 0.00 H new ATOM 0 HB3 ASP A 426 69.842 -7.968 -9.167 1.00 0.00 H new ATOM 294 N ILE A 427 69.794 -8.840 -6.087 1.00 0.00 N ATOM 295 CA ILE A 427 70.840 -9.535 -5.281 1.00 0.00 C ATOM 296 C ILE A 427 72.120 -9.712 -6.102 1.00 0.00 C ATOM 297 O ILE A 427 73.205 -9.794 -5.561 1.00 0.00 O ATOM 298 CB ILE A 427 70.235 -10.888 -4.909 1.00 0.00 C ATOM 299 CG1 ILE A 427 71.177 -11.614 -3.942 1.00 0.00 C ATOM 300 CG2 ILE A 427 70.033 -11.736 -6.169 1.00 0.00 C ATOM 301 CD1 ILE A 427 70.476 -11.814 -2.596 1.00 0.00 C ATOM 0 H ILE A 427 68.903 -9.330 -6.159 1.00 0.00 H new ATOM 0 HA ILE A 427 71.118 -8.965 -4.394 1.00 0.00 H new ATOM 0 HB ILE A 427 69.268 -10.732 -4.430 1.00 0.00 H new ATOM 0 HG12 ILE A 427 71.469 -12.578 -4.358 1.00 0.00 H new ATOM 0 HG13 ILE A 427 72.091 -11.036 -3.805 1.00 0.00 H new ATOM 0 HG21 ILE A 427 69.601 -12.699 -5.894 1.00 0.00 H new ATOM 0 HG22 ILE A 427 69.360 -11.218 -6.852 1.00 0.00 H new ATOM 0 HG23 ILE A 427 70.994 -11.896 -6.658 1.00 0.00 H new ATOM 0 HD11 ILE A 427 71.147 -12.330 -1.909 1.00 0.00 H new ATOM 0 HD12 ILE A 427 70.206 -10.844 -2.179 1.00 0.00 H new ATOM 0 HD13 ILE A 427 69.575 -12.410 -2.740 1.00 0.00 H new ATOM 313 N ASN A 428 72.004 -9.758 -7.406 1.00 0.00 N ATOM 314 CA ASN A 428 73.221 -9.914 -8.258 1.00 0.00 C ATOM 315 C ASN A 428 74.241 -8.834 -7.887 1.00 0.00 C ATOM 316 O ASN A 428 75.434 -9.007 -8.045 1.00 0.00 O ATOM 317 CB ASN A 428 72.733 -9.723 -9.696 1.00 0.00 C ATOM 318 CG ASN A 428 73.907 -9.891 -10.662 1.00 0.00 C ATOM 319 OD1 ASN A 428 74.090 -9.091 -11.559 1.00 0.00 O ATOM 320 ND2 ASN A 428 74.717 -10.904 -10.517 1.00 0.00 N ATOM 0 H ASN A 428 71.122 -9.694 -7.915 1.00 0.00 H new ATOM 0 HA ASN A 428 73.705 -10.882 -8.127 1.00 0.00 H new ATOM 0 HB2 ASN A 428 71.953 -10.449 -9.926 1.00 0.00 H new ATOM 0 HB3 ASN A 428 72.292 -8.733 -9.813 1.00 0.00 H new ATOM 0 HD21 ASN A 428 75.503 -11.024 -11.156 1.00 0.00 H new ATOM 0 HD22 ASN A 428 74.564 -11.576 -9.765 1.00 0.00 H new ATOM 327 N THR A 429 73.771 -7.724 -7.383 1.00 0.00 N ATOM 328 CA THR A 429 74.692 -6.626 -6.981 1.00 0.00 C ATOM 329 C THR A 429 74.204 -5.977 -5.679 1.00 0.00 C ATOM 330 O THR A 429 74.660 -4.918 -5.298 1.00 0.00 O ATOM 331 CB THR A 429 74.645 -5.622 -8.138 1.00 0.00 C ATOM 332 OG1 THR A 429 75.475 -4.510 -7.828 1.00 0.00 O ATOM 333 CG2 THR A 429 73.207 -5.142 -8.356 1.00 0.00 C ATOM 0 H THR A 429 72.781 -7.531 -7.232 1.00 0.00 H new ATOM 0 HA THR A 429 75.705 -6.982 -6.796 1.00 0.00 H new ATOM 0 HB THR A 429 75.001 -6.105 -9.048 1.00 0.00 H new ATOM 0 HG1 THR A 429 75.586 -4.446 -6.856 1.00 0.00 H new ATOM 0 HG21 THR A 429 73.182 -4.429 -9.180 1.00 0.00 H new ATOM 0 HG22 THR A 429 72.571 -5.994 -8.595 1.00 0.00 H new ATOM 0 HG23 THR A 429 72.843 -4.661 -7.448 1.00 0.00 H new ATOM 341 N TRP A 430 73.280 -6.605 -4.991 1.00 0.00 N ATOM 342 CA TRP A 430 72.771 -6.018 -3.716 1.00 0.00 C ATOM 343 C TRP A 430 73.278 -6.816 -2.515 1.00 0.00 C ATOM 344 O TRP A 430 73.775 -7.916 -2.648 1.00 0.00 O ATOM 345 CB TRP A 430 71.250 -6.127 -3.778 1.00 0.00 C ATOM 346 CG TRP A 430 70.668 -5.322 -2.673 1.00 0.00 C ATOM 347 CD1 TRP A 430 70.399 -3.996 -2.687 1.00 0.00 C ATOM 348 CD2 TRP A 430 70.300 -5.802 -1.377 1.00 0.00 C ATOM 349 NE1 TRP A 430 69.881 -3.642 -1.447 1.00 0.00 N ATOM 350 CE2 TRP A 430 69.803 -4.736 -0.604 1.00 0.00 C ATOM 351 CE3 TRP A 430 70.361 -7.069 -0.824 1.00 0.00 C ATOM 352 CZ2 TRP A 430 69.374 -4.936 0.709 1.00 0.00 C ATOM 353 CZ3 TRP A 430 69.934 -7.291 0.495 1.00 0.00 C ATOM 354 CH2 TRP A 430 69.441 -6.222 1.263 1.00 0.00 C ATOM 0 H TRP A 430 72.859 -7.495 -5.258 1.00 0.00 H new ATOM 0 HA TRP A 430 73.109 -4.988 -3.602 1.00 0.00 H new ATOM 0 HB2 TRP A 430 70.885 -5.768 -4.740 1.00 0.00 H new ATOM 0 HB3 TRP A 430 70.942 -7.169 -3.689 1.00 0.00 H new ATOM 0 HD1 TRP A 430 70.559 -3.327 -3.520 1.00 0.00 H new ATOM 0 HE1 TRP A 430 69.595 -2.697 -1.191 1.00 0.00 H new ATOM 0 HE3 TRP A 430 70.740 -7.893 -1.411 1.00 0.00 H new ATOM 0 HZ2 TRP A 430 68.995 -4.109 1.292 1.00 0.00 H new ATOM 0 HZ3 TRP A 430 69.984 -8.283 0.919 1.00 0.00 H new ATOM 0 HH2 TRP A 430 69.114 -6.391 2.278 1.00 0.00 H new ATOM 365 N VAL A 431 73.133 -6.267 -1.339 1.00 0.00 N ATOM 366 CA VAL A 431 73.580 -6.979 -0.110 1.00 0.00 C ATOM 367 C VAL A 431 72.756 -6.498 1.092 1.00 0.00 C ATOM 368 O VAL A 431 72.102 -5.477 1.017 1.00 0.00 O ATOM 369 CB VAL A 431 75.051 -6.603 0.067 1.00 0.00 C ATOM 370 CG1 VAL A 431 75.868 -7.144 -1.107 1.00 0.00 C ATOM 371 CG2 VAL A 431 75.191 -5.079 0.125 1.00 0.00 C ATOM 0 H VAL A 431 72.721 -5.348 -1.177 1.00 0.00 H new ATOM 0 HA VAL A 431 73.450 -8.058 -0.187 1.00 0.00 H new ATOM 0 HB VAL A 431 75.421 -7.037 0.996 1.00 0.00 H new ATOM 0 HG11 VAL A 431 76.916 -6.873 -0.976 1.00 0.00 H new ATOM 0 HG12 VAL A 431 75.775 -8.229 -1.145 1.00 0.00 H new ATOM 0 HG13 VAL A 431 75.496 -6.715 -2.037 1.00 0.00 H new ATOM 0 HG21 VAL A 431 76.241 -4.815 0.251 1.00 0.00 H new ATOM 0 HG22 VAL A 431 74.816 -4.644 -0.801 1.00 0.00 H new ATOM 0 HG23 VAL A 431 74.616 -4.693 0.966 1.00 0.00 H new ATOM 381 N PRO A 432 72.812 -7.245 2.166 1.00 0.00 N ATOM 382 CA PRO A 432 72.053 -6.869 3.385 1.00 0.00 C ATOM 383 C PRO A 432 72.675 -5.630 4.037 1.00 0.00 C ATOM 384 O PRO A 432 73.683 -5.711 4.711 1.00 0.00 O ATOM 385 CB PRO A 432 72.191 -8.093 4.286 1.00 0.00 C ATOM 386 CG PRO A 432 73.442 -8.771 3.826 1.00 0.00 C ATOM 387 CD PRO A 432 73.572 -8.489 2.352 1.00 0.00 C ATOM 0 HA PRO A 432 71.012 -6.614 3.184 1.00 0.00 H new ATOM 0 HB2 PRO A 432 72.260 -7.805 5.335 1.00 0.00 H new ATOM 0 HB3 PRO A 432 71.328 -8.752 4.193 1.00 0.00 H new ATOM 0 HG2 PRO A 432 74.308 -8.394 4.370 1.00 0.00 H new ATOM 0 HG3 PRO A 432 73.391 -9.844 4.011 1.00 0.00 H new ATOM 0 HD2 PRO A 432 74.615 -8.369 2.058 1.00 0.00 H new ATOM 0 HD3 PRO A 432 73.163 -9.302 1.751 1.00 0.00 H new ATOM 395 N PHE A 433 72.078 -4.486 3.836 1.00 0.00 N ATOM 396 CA PHE A 433 72.628 -3.234 4.436 1.00 0.00 C ATOM 397 C PHE A 433 71.995 -2.976 5.806 1.00 0.00 C ATOM 398 O PHE A 433 72.569 -2.314 6.649 1.00 0.00 O ATOM 399 CB PHE A 433 72.243 -2.127 3.452 1.00 0.00 C ATOM 400 CG PHE A 433 73.415 -1.195 3.252 1.00 0.00 C ATOM 401 CD1 PHE A 433 73.943 -0.489 4.339 1.00 0.00 C ATOM 402 CD2 PHE A 433 73.972 -1.038 1.978 1.00 0.00 C ATOM 403 CE1 PHE A 433 75.029 0.374 4.152 1.00 0.00 C ATOM 404 CE2 PHE A 433 75.058 -0.174 1.790 1.00 0.00 C ATOM 405 CZ PHE A 433 75.586 0.532 2.877 1.00 0.00 C ATOM 0 H PHE A 433 71.231 -4.363 3.281 1.00 0.00 H new ATOM 0 HA PHE A 433 73.705 -3.290 4.592 1.00 0.00 H new ATOM 0 HB2 PHE A 433 71.945 -2.562 2.498 1.00 0.00 H new ATOM 0 HB3 PHE A 433 71.385 -1.572 3.831 1.00 0.00 H new ATOM 0 HD1 PHE A 433 73.512 -0.610 5.322 1.00 0.00 H new ATOM 0 HD2 PHE A 433 73.564 -1.583 1.140 1.00 0.00 H new ATOM 0 HE1 PHE A 433 75.437 0.918 4.991 1.00 0.00 H new ATOM 0 HE2 PHE A 433 75.488 -0.053 0.807 1.00 0.00 H new ATOM 0 HZ PHE A 433 76.423 1.199 2.732 1.00 0.00 H new ATOM 415 N TYR A 434 70.815 -3.486 6.032 1.00 0.00 N ATOM 416 CA TYR A 434 70.140 -3.264 7.344 1.00 0.00 C ATOM 417 C TYR A 434 70.573 -4.333 8.351 1.00 0.00 C ATOM 418 O TYR A 434 70.826 -5.467 7.996 1.00 0.00 O ATOM 419 CB TYR A 434 68.640 -3.380 7.054 1.00 0.00 C ATOM 420 CG TYR A 434 68.290 -2.555 5.836 1.00 0.00 C ATOM 421 CD1 TYR A 434 68.381 -1.159 5.886 1.00 0.00 C ATOM 422 CD2 TYR A 434 67.879 -3.188 4.658 1.00 0.00 C ATOM 423 CE1 TYR A 434 68.062 -0.396 4.756 1.00 0.00 C ATOM 424 CE2 TYR A 434 67.558 -2.426 3.529 1.00 0.00 C ATOM 425 CZ TYR A 434 67.650 -1.030 3.578 1.00 0.00 C ATOM 426 OH TYR A 434 67.333 -0.275 2.464 1.00 0.00 O ATOM 0 H TYR A 434 70.288 -4.048 5.364 1.00 0.00 H new ATOM 0 HA TYR A 434 70.396 -2.296 7.775 1.00 0.00 H new ATOM 0 HB2 TYR A 434 68.372 -4.423 6.888 1.00 0.00 H new ATOM 0 HB3 TYR A 434 68.066 -3.037 7.915 1.00 0.00 H new ATOM 0 HD1 TYR A 434 68.697 -0.671 6.796 1.00 0.00 H new ATOM 0 HD2 TYR A 434 67.809 -4.265 4.620 1.00 0.00 H new ATOM 0 HE1 TYR A 434 68.134 0.681 4.793 1.00 0.00 H new ATOM 0 HE2 TYR A 434 67.239 -2.915 2.620 1.00 0.00 H new ATOM 0 HH TYR A 434 67.067 -0.869 1.731 1.00 0.00 H new ATOM 436 N SER A 435 70.660 -3.978 9.605 1.00 0.00 N ATOM 437 CA SER A 435 71.074 -4.971 10.639 1.00 0.00 C ATOM 438 C SER A 435 69.913 -5.917 10.958 1.00 0.00 C ATOM 439 O SER A 435 70.113 -7.043 11.368 1.00 0.00 O ATOM 440 CB SER A 435 71.440 -4.138 11.866 1.00 0.00 C ATOM 441 OG SER A 435 70.270 -3.509 12.371 1.00 0.00 O ATOM 0 H SER A 435 70.462 -3.042 9.959 1.00 0.00 H new ATOM 0 HA SER A 435 71.906 -5.591 10.306 1.00 0.00 H new ATOM 0 HB2 SER A 435 71.885 -4.773 12.632 1.00 0.00 H new ATOM 0 HB3 SER A 435 72.185 -3.388 11.602 1.00 0.00 H new ATOM 0 HG SER A 435 70.500 -2.975 13.160 1.00 0.00 H new ATOM 447 N THR A 436 68.701 -5.466 10.771 1.00 0.00 N ATOM 448 CA THR A 436 67.525 -6.337 11.064 1.00 0.00 C ATOM 449 C THR A 436 67.275 -7.296 9.896 1.00 0.00 C ATOM 450 O THR A 436 66.770 -8.388 10.075 1.00 0.00 O ATOM 451 CB THR A 436 66.348 -5.375 11.228 1.00 0.00 C ATOM 452 OG1 THR A 436 66.222 -4.578 10.059 1.00 0.00 O ATOM 453 CG2 THR A 436 66.590 -4.472 12.439 1.00 0.00 C ATOM 0 H THR A 436 68.474 -4.532 10.428 1.00 0.00 H new ATOM 0 HA THR A 436 67.676 -6.949 11.953 1.00 0.00 H new ATOM 0 HB THR A 436 65.431 -5.945 11.379 1.00 0.00 H new ATOM 0 HG1 THR A 436 65.467 -3.962 10.163 1.00 0.00 H new ATOM 0 HG21 THR A 436 65.751 -3.786 12.555 1.00 0.00 H new ATOM 0 HG22 THR A 436 66.686 -5.084 13.336 1.00 0.00 H new ATOM 0 HG23 THR A 436 67.507 -3.901 12.290 1.00 0.00 H new ATOM 461 N GLU A 437 67.626 -6.897 8.703 1.00 0.00 N ATOM 462 CA GLU A 437 67.410 -7.786 7.523 1.00 0.00 C ATOM 463 C GLU A 437 68.742 -8.387 7.065 1.00 0.00 C ATOM 464 O GLU A 437 69.648 -7.680 6.669 1.00 0.00 O ATOM 465 CB GLU A 437 66.831 -6.876 6.438 1.00 0.00 C ATOM 466 CG GLU A 437 65.515 -6.266 6.925 1.00 0.00 C ATOM 467 CD GLU A 437 64.529 -6.172 5.758 1.00 0.00 C ATOM 468 OE1 GLU A 437 64.980 -5.962 4.644 1.00 0.00 O ATOM 469 OE2 GLU A 437 63.342 -6.311 5.999 1.00 0.00 O ATOM 0 H GLU A 437 68.053 -5.995 8.494 1.00 0.00 H new ATOM 0 HA GLU A 437 66.746 -8.619 7.751 1.00 0.00 H new ATOM 0 HB2 GLU A 437 67.541 -6.086 6.195 1.00 0.00 H new ATOM 0 HB3 GLU A 437 66.663 -7.445 5.524 1.00 0.00 H new ATOM 0 HG2 GLU A 437 65.093 -6.877 7.723 1.00 0.00 H new ATOM 0 HG3 GLU A 437 65.694 -5.276 7.343 1.00 0.00 H new ATOM 476 N LEU A 438 68.866 -9.686 7.120 1.00 0.00 N ATOM 477 CA LEU A 438 70.140 -10.334 6.690 1.00 0.00 C ATOM 478 C LEU A 438 70.103 -10.654 5.189 1.00 0.00 C ATOM 479 O LEU A 438 71.055 -11.170 4.637 1.00 0.00 O ATOM 480 CB LEU A 438 70.228 -11.623 7.513 1.00 0.00 C ATOM 481 CG LEU A 438 71.542 -11.643 8.297 1.00 0.00 C ATOM 482 CD1 LEU A 438 71.298 -11.126 9.716 1.00 0.00 C ATOM 483 CD2 LEU A 438 72.073 -13.077 8.364 1.00 0.00 C ATOM 0 H LEU A 438 68.141 -10.326 7.444 1.00 0.00 H new ATOM 0 HA LEU A 438 71.002 -9.687 6.850 1.00 0.00 H new ATOM 0 HB2 LEU A 438 69.383 -11.687 8.198 1.00 0.00 H new ATOM 0 HB3 LEU A 438 70.172 -12.491 6.856 1.00 0.00 H new ATOM 0 HG LEU A 438 72.272 -11.006 7.798 1.00 0.00 H new ATOM 0 HD11 LEU A 438 72.234 -11.140 10.274 1.00 0.00 H new ATOM 0 HD12 LEU A 438 70.918 -10.105 9.671 1.00 0.00 H new ATOM 0 HD13 LEU A 438 70.568 -11.763 10.215 1.00 0.00 H new ATOM 0 HD21 LEU A 438 73.009 -13.093 8.922 1.00 0.00 H new ATOM 0 HD22 LEU A 438 71.342 -13.713 8.863 1.00 0.00 H new ATOM 0 HD23 LEU A 438 72.247 -13.448 7.354 1.00 0.00 H new ATOM 495 N ASN A 439 69.016 -10.356 4.527 1.00 0.00 N ATOM 496 CA ASN A 439 68.930 -10.649 3.066 1.00 0.00 C ATOM 497 C ASN A 439 67.799 -9.841 2.424 1.00 0.00 C ATOM 498 O ASN A 439 66.856 -9.444 3.079 1.00 0.00 O ATOM 499 CB ASN A 439 68.636 -12.146 2.981 1.00 0.00 C ATOM 500 CG ASN A 439 69.948 -12.918 2.839 1.00 0.00 C ATOM 501 OD1 ASN A 439 70.784 -12.576 2.026 1.00 0.00 O ATOM 502 ND2 ASN A 439 70.166 -13.954 3.601 1.00 0.00 N ATOM 0 H ASN A 439 68.186 -9.924 4.933 1.00 0.00 H new ATOM 0 HA ASN A 439 69.845 -10.381 2.538 1.00 0.00 H new ATOM 0 HB2 ASN A 439 68.104 -12.474 3.874 1.00 0.00 H new ATOM 0 HB3 ASN A 439 67.987 -12.352 2.130 1.00 0.00 H new ATOM 0 HD21 ASN A 439 71.038 -14.476 3.514 1.00 0.00 H new ATOM 0 HD22 ASN A 439 69.465 -14.242 4.284 1.00 0.00 H new ATOM 509 N LYS A 440 67.889 -9.602 1.142 1.00 0.00 N ATOM 510 CA LYS A 440 66.828 -8.820 0.432 1.00 0.00 C ATOM 511 C LYS A 440 66.711 -7.412 1.030 1.00 0.00 C ATOM 512 O LYS A 440 67.068 -7.188 2.169 1.00 0.00 O ATOM 513 CB LYS A 440 65.520 -9.594 0.632 1.00 0.00 C ATOM 514 CG LYS A 440 65.767 -11.098 0.481 1.00 0.00 C ATOM 515 CD LYS A 440 64.433 -11.818 0.272 1.00 0.00 C ATOM 516 CE LYS A 440 64.162 -11.965 -1.227 1.00 0.00 C ATOM 517 NZ LYS A 440 62.766 -12.478 -1.316 1.00 0.00 N ATOM 0 H LYS A 440 68.658 -9.917 0.550 1.00 0.00 H new ATOM 0 HA LYS A 440 67.063 -8.704 -0.626 1.00 0.00 H new ATOM 0 HB2 LYS A 440 65.111 -9.383 1.620 1.00 0.00 H new ATOM 0 HB3 LYS A 440 64.779 -9.265 -0.097 1.00 0.00 H new ATOM 0 HG2 LYS A 440 66.429 -11.285 -0.364 1.00 0.00 H new ATOM 0 HG3 LYS A 440 66.266 -11.486 1.369 1.00 0.00 H new ATOM 0 HD2 LYS A 440 64.459 -12.799 0.746 1.00 0.00 H new ATOM 0 HD3 LYS A 440 63.627 -11.257 0.745 1.00 0.00 H new ATOM 0 HE2 LYS A 440 64.266 -11.010 -1.743 1.00 0.00 H new ATOM 0 HE3 LYS A 440 64.867 -12.656 -1.690 1.00 0.00 H new ATOM 0 HZ1 LYS A 440 62.506 -12.605 -2.315 1.00 0.00 H new ATOM 0 HZ2 LYS A 440 62.699 -13.391 -0.822 1.00 0.00 H new ATOM 0 HZ3 LYS A 440 62.117 -11.797 -0.873 1.00 0.00 H new ATOM 531 N PRO A 441 66.217 -6.505 0.228 1.00 0.00 N ATOM 532 CA PRO A 441 66.056 -5.098 0.670 1.00 0.00 C ATOM 533 C PRO A 441 64.851 -4.948 1.604 1.00 0.00 C ATOM 534 O PRO A 441 64.055 -5.852 1.761 1.00 0.00 O ATOM 535 CB PRO A 441 65.819 -4.339 -0.633 1.00 0.00 C ATOM 536 CG PRO A 441 65.266 -5.351 -1.586 1.00 0.00 C ATOM 537 CD PRO A 441 65.766 -6.707 -1.152 1.00 0.00 C ATOM 0 HA PRO A 441 66.917 -4.733 1.230 1.00 0.00 H new ATOM 0 HB2 PRO A 441 65.121 -3.515 -0.486 1.00 0.00 H new ATOM 0 HB3 PRO A 441 66.746 -3.908 -1.011 1.00 0.00 H new ATOM 0 HG2 PRO A 441 64.176 -5.325 -1.582 1.00 0.00 H new ATOM 0 HG3 PRO A 441 65.586 -5.133 -2.605 1.00 0.00 H new ATOM 0 HD2 PRO A 441 64.977 -7.457 -1.206 1.00 0.00 H new ATOM 0 HD3 PRO A 441 66.580 -7.053 -1.789 1.00 0.00 H new ATOM 545 N ALA A 442 64.713 -3.802 2.215 1.00 0.00 N ATOM 546 CA ALA A 442 63.562 -3.568 3.132 1.00 0.00 C ATOM 547 C ALA A 442 62.636 -2.509 2.526 1.00 0.00 C ATOM 548 O ALA A 442 62.799 -1.326 2.751 1.00 0.00 O ATOM 549 CB ALA A 442 64.184 -3.059 4.433 1.00 0.00 C ATOM 0 H ALA A 442 65.353 -3.014 2.117 1.00 0.00 H new ATOM 0 HA ALA A 442 62.967 -4.466 3.298 1.00 0.00 H new ATOM 0 HB1 ALA A 442 63.396 -2.863 5.161 1.00 0.00 H new ATOM 0 HB2 ALA A 442 64.865 -3.812 4.829 1.00 0.00 H new ATOM 0 HB3 ALA A 442 64.734 -2.139 4.238 1.00 0.00 H new ATOM 555 N MET A 443 61.677 -2.926 1.746 1.00 0.00 N ATOM 556 CA MET A 443 60.750 -1.947 1.108 1.00 0.00 C ATOM 557 C MET A 443 59.900 -1.236 2.165 1.00 0.00 C ATOM 558 O MET A 443 59.605 -1.781 3.211 1.00 0.00 O ATOM 559 CB MET A 443 59.863 -2.782 0.183 1.00 0.00 C ATOM 560 CG MET A 443 60.565 -2.974 -1.163 1.00 0.00 C ATOM 561 SD MET A 443 59.755 -4.306 -2.082 1.00 0.00 S ATOM 562 CE MET A 443 59.735 -3.489 -3.696 1.00 0.00 C ATOM 0 H MET A 443 61.494 -3.904 1.522 1.00 0.00 H new ATOM 0 HA MET A 443 61.291 -1.170 0.568 1.00 0.00 H new ATOM 0 HB2 MET A 443 59.655 -3.750 0.638 1.00 0.00 H new ATOM 0 HB3 MET A 443 58.903 -2.286 0.037 1.00 0.00 H new ATOM 0 HG2 MET A 443 60.531 -2.049 -1.738 1.00 0.00 H new ATOM 0 HG3 MET A 443 61.617 -3.214 -1.006 1.00 0.00 H new ATOM 0 HE1 MET A 443 58.844 -3.791 -4.246 1.00 0.00 H new ATOM 0 HE2 MET A 443 59.726 -2.408 -3.557 1.00 0.00 H new ATOM 0 HE3 MET A 443 60.623 -3.775 -4.260 1.00 0.00 H new ATOM 572 N ILE A 444 59.503 -0.022 1.892 1.00 0.00 N ATOM 573 CA ILE A 444 58.669 0.738 2.861 1.00 0.00 C ATOM 574 C ILE A 444 57.348 1.142 2.201 1.00 0.00 C ATOM 575 O ILE A 444 57.231 1.161 0.990 1.00 0.00 O ATOM 576 CB ILE A 444 59.497 1.975 3.211 1.00 0.00 C ATOM 577 CG1 ILE A 444 59.864 2.732 1.930 1.00 0.00 C ATOM 578 CG2 ILE A 444 60.775 1.547 3.932 1.00 0.00 C ATOM 579 CD1 ILE A 444 60.215 4.180 2.274 1.00 0.00 C ATOM 0 H ILE A 444 59.724 0.478 1.031 1.00 0.00 H new ATOM 0 HA ILE A 444 58.420 0.155 3.748 1.00 0.00 H new ATOM 0 HB ILE A 444 58.912 2.627 3.860 1.00 0.00 H new ATOM 0 HG12 ILE A 444 60.709 2.249 1.439 1.00 0.00 H new ATOM 0 HG13 ILE A 444 59.030 2.706 1.228 1.00 0.00 H new ATOM 0 HG21 ILE A 444 61.365 2.429 4.181 1.00 0.00 H new ATOM 0 HG22 ILE A 444 60.516 1.014 4.846 1.00 0.00 H new ATOM 0 HG23 ILE A 444 61.357 0.893 3.283 1.00 0.00 H new ATOM 0 HD11 ILE A 444 60.476 4.718 1.362 1.00 0.00 H new ATOM 0 HD12 ILE A 444 59.358 4.660 2.746 1.00 0.00 H new ATOM 0 HD13 ILE A 444 61.062 4.196 2.960 1.00 0.00 H new ATOM 591 N TYR A 445 56.354 1.459 2.987 1.00 0.00 N ATOM 592 CA TYR A 445 55.035 1.854 2.410 1.00 0.00 C ATOM 593 C TYR A 445 54.981 3.368 2.177 1.00 0.00 C ATOM 594 O TYR A 445 55.109 4.151 3.098 1.00 0.00 O ATOM 595 CB TYR A 445 54.009 1.440 3.465 1.00 0.00 C ATOM 596 CG TYR A 445 52.628 1.436 2.855 1.00 0.00 C ATOM 597 CD1 TYR A 445 52.137 0.278 2.239 1.00 0.00 C ATOM 598 CD2 TYR A 445 51.838 2.590 2.909 1.00 0.00 C ATOM 599 CE1 TYR A 445 50.855 0.275 1.677 1.00 0.00 C ATOM 600 CE2 TYR A 445 50.555 2.586 2.348 1.00 0.00 C ATOM 601 CZ TYR A 445 50.064 1.429 1.731 1.00 0.00 C ATOM 602 OH TYR A 445 48.800 1.426 1.177 1.00 0.00 O ATOM 0 H TYR A 445 56.398 1.462 4.006 1.00 0.00 H new ATOM 0 HA TYR A 445 54.850 1.382 1.445 1.00 0.00 H new ATOM 0 HB2 TYR A 445 54.250 0.450 3.852 1.00 0.00 H new ATOM 0 HB3 TYR A 445 54.043 2.129 4.309 1.00 0.00 H new ATOM 0 HD1 TYR A 445 52.747 -0.612 2.198 1.00 0.00 H new ATOM 0 HD2 TYR A 445 52.218 3.483 3.383 1.00 0.00 H new ATOM 0 HE1 TYR A 445 50.476 -0.618 1.202 1.00 0.00 H new ATOM 0 HE2 TYR A 445 49.944 3.476 2.391 1.00 0.00 H new ATOM 0 HH TYR A 445 48.644 2.275 0.713 1.00 0.00 H new ATOM 612 N CYS A 446 54.785 3.785 0.952 1.00 0.00 N ATOM 613 CA CYS A 446 54.713 5.251 0.664 1.00 0.00 C ATOM 614 C CYS A 446 53.484 5.855 1.350 1.00 0.00 C ATOM 615 O CYS A 446 52.553 5.157 1.698 1.00 0.00 O ATOM 616 CB CYS A 446 54.587 5.356 -0.858 1.00 0.00 C ATOM 617 SG CYS A 446 54.572 7.102 -1.350 1.00 0.00 S ATOM 0 H CYS A 446 54.672 3.177 0.141 1.00 0.00 H new ATOM 0 HA CYS A 446 55.585 5.790 1.033 1.00 0.00 H new ATOM 0 HB2 CYS A 446 55.418 4.840 -1.338 1.00 0.00 H new ATOM 0 HB3 CYS A 446 53.672 4.866 -1.192 1.00 0.00 H new ATOM 622 N SER A 447 53.476 7.146 1.546 1.00 0.00 N ATOM 623 CA SER A 447 52.307 7.793 2.212 1.00 0.00 C ATOM 624 C SER A 447 51.581 8.716 1.228 1.00 0.00 C ATOM 625 O SER A 447 51.265 9.846 1.543 1.00 0.00 O ATOM 626 CB SER A 447 52.903 8.600 3.363 1.00 0.00 C ATOM 627 OG SER A 447 51.853 9.192 4.116 1.00 0.00 O ATOM 0 H SER A 447 54.227 7.781 1.274 1.00 0.00 H new ATOM 0 HA SER A 447 51.576 7.064 2.562 1.00 0.00 H new ATOM 0 HB2 SER A 447 53.504 7.954 4.002 1.00 0.00 H new ATOM 0 HB3 SER A 447 53.568 9.372 2.975 1.00 0.00 H new ATOM 0 HG SER A 447 51.291 9.733 3.524 1.00 0.00 H new ATOM 633 N HIS A 448 51.316 8.242 0.039 1.00 0.00 N ATOM 634 CA HIS A 448 50.612 9.093 -0.964 1.00 0.00 C ATOM 635 C HIS A 448 49.436 8.327 -1.577 1.00 0.00 C ATOM 636 O HIS A 448 49.618 7.394 -2.334 1.00 0.00 O ATOM 637 CB HIS A 448 51.663 9.402 -2.031 1.00 0.00 C ATOM 638 CG HIS A 448 51.104 10.393 -3.013 1.00 0.00 C ATOM 639 ND1 HIS A 448 51.693 11.629 -3.232 1.00 0.00 N ATOM 640 CD2 HIS A 448 50.011 10.347 -3.842 1.00 0.00 C ATOM 641 CE1 HIS A 448 50.957 12.270 -4.159 1.00 0.00 C ATOM 642 NE2 HIS A 448 49.920 11.533 -4.563 1.00 0.00 N ATOM 0 H HIS A 448 51.556 7.304 -0.280 1.00 0.00 H new ATOM 0 HA HIS A 448 50.203 10.000 -0.519 1.00 0.00 H new ATOM 0 HB2 HIS A 448 52.563 9.804 -1.565 1.00 0.00 H new ATOM 0 HB3 HIS A 448 51.953 8.487 -2.547 1.00 0.00 H new ATOM 0 HD2 HIS A 448 49.326 9.516 -3.922 1.00 0.00 H new ATOM 0 HE1 HIS A 448 51.178 13.260 -4.530 1.00 0.00 H new ATOM 0 HE2 HIS A 448 49.212 11.785 -5.253 1.00 0.00 H new ATOM 650 N GLY A 449 48.232 8.717 -1.256 1.00 0.00 N ATOM 651 CA GLY A 449 47.041 8.016 -1.818 1.00 0.00 C ATOM 652 C GLY A 449 47.045 6.554 -1.369 1.00 0.00 C ATOM 653 O GLY A 449 47.035 6.257 -0.191 1.00 0.00 O ATOM 0 H GLY A 449 48.021 9.492 -0.628 1.00 0.00 H new ATOM 0 HA2 GLY A 449 46.127 8.507 -1.484 1.00 0.00 H new ATOM 0 HA3 GLY A 449 47.054 8.072 -2.906 1.00 0.00 H new ATOM 657 N ASP A 450 47.059 5.638 -2.301 1.00 0.00 N ATOM 658 CA ASP A 450 47.064 4.193 -1.930 1.00 0.00 C ATOM 659 C ASP A 450 48.323 3.855 -1.127 1.00 0.00 C ATOM 660 O ASP A 450 48.265 3.615 0.064 1.00 0.00 O ATOM 661 CB ASP A 450 47.059 3.440 -3.261 1.00 0.00 C ATOM 662 CG ASP A 450 45.642 3.429 -3.838 1.00 0.00 C ATOM 663 OD1 ASP A 450 44.975 4.445 -3.737 1.00 0.00 O ATOM 664 OD2 ASP A 450 45.248 2.404 -4.370 1.00 0.00 O ATOM 0 H ASP A 450 47.067 5.828 -3.303 1.00 0.00 H new ATOM 0 HA ASP A 450 46.210 3.926 -1.308 1.00 0.00 H new ATOM 0 HB2 ASP A 450 47.745 3.916 -3.962 1.00 0.00 H new ATOM 0 HB3 ASP A 450 47.411 2.419 -3.114 1.00 0.00 H new ATOM 669 N GLY A 451 49.460 3.836 -1.769 1.00 0.00 N ATOM 670 CA GLY A 451 50.723 3.515 -1.045 1.00 0.00 C ATOM 671 C GLY A 451 51.314 2.218 -1.601 1.00 0.00 C ATOM 672 O GLY A 451 50.621 1.234 -1.772 1.00 0.00 O ATOM 0 H GLY A 451 49.568 4.029 -2.765 1.00 0.00 H new ATOM 0 HA2 GLY A 451 51.437 4.331 -1.159 1.00 0.00 H new ATOM 0 HA3 GLY A 451 50.526 3.410 0.022 1.00 0.00 H new ATOM 676 N HIS A 452 52.592 2.207 -1.874 1.00 0.00 N ATOM 677 CA HIS A 452 53.231 0.968 -2.407 1.00 0.00 C ATOM 678 C HIS A 452 54.480 0.622 -1.608 1.00 0.00 C ATOM 679 O HIS A 452 54.884 1.342 -0.714 1.00 0.00 O ATOM 680 CB HIS A 452 53.586 1.241 -3.875 1.00 0.00 C ATOM 681 CG HIS A 452 54.357 2.531 -4.022 1.00 0.00 C ATOM 682 ND1 HIS A 452 55.567 2.590 -4.701 1.00 0.00 N ATOM 683 CD2 HIS A 452 54.103 3.817 -3.609 1.00 0.00 C ATOM 684 CE1 HIS A 452 55.987 3.869 -4.673 1.00 0.00 C ATOM 685 NE2 HIS A 452 55.131 4.653 -4.017 1.00 0.00 N ATOM 0 H HIS A 452 53.220 3.001 -1.751 1.00 0.00 H new ATOM 0 HA HIS A 452 52.553 0.119 -2.326 1.00 0.00 H new ATOM 0 HB2 HIS A 452 54.178 0.414 -4.268 1.00 0.00 H new ATOM 0 HB3 HIS A 452 52.673 1.291 -4.469 1.00 0.00 H new ATOM 0 HD1 HIS A 452 56.050 1.807 -5.141 1.00 0.00 H new ATOM 0 HD2 HIS A 452 53.233 4.129 -3.050 1.00 0.00 H new ATOM 0 HE1 HIS A 452 56.904 4.217 -5.126 1.00 0.00 H new ATOM 693 N TRP A 453 55.087 -0.485 -1.925 1.00 0.00 N ATOM 694 CA TRP A 453 56.309 -0.912 -1.197 1.00 0.00 C ATOM 695 C TRP A 453 57.559 -0.632 -2.038 1.00 0.00 C ATOM 696 O TRP A 453 57.705 -1.139 -3.133 1.00 0.00 O ATOM 697 CB TRP A 453 56.119 -2.414 -1.001 1.00 0.00 C ATOM 698 CG TRP A 453 55.279 -2.657 0.211 1.00 0.00 C ATOM 699 CD1 TRP A 453 53.929 -2.739 0.214 1.00 0.00 C ATOM 700 CD2 TRP A 453 55.703 -2.851 1.592 1.00 0.00 C ATOM 701 NE1 TRP A 453 53.497 -2.970 1.507 1.00 0.00 N ATOM 702 CE2 TRP A 453 54.553 -3.048 2.393 1.00 0.00 C ATOM 703 CE3 TRP A 453 56.960 -2.875 2.222 1.00 0.00 C ATOM 704 CZ2 TRP A 453 54.647 -3.260 3.769 1.00 0.00 C ATOM 705 CZ3 TRP A 453 57.059 -3.089 3.607 1.00 0.00 C ATOM 706 CH2 TRP A 453 55.904 -3.281 4.378 1.00 0.00 C ATOM 0 H TRP A 453 54.785 -1.118 -2.665 1.00 0.00 H new ATOM 0 HA TRP A 453 56.445 -0.381 -0.255 1.00 0.00 H new ATOM 0 HB2 TRP A 453 55.642 -2.849 -1.880 1.00 0.00 H new ATOM 0 HB3 TRP A 453 57.087 -2.902 -0.889 1.00 0.00 H new ATOM 0 HD1 TRP A 453 53.292 -2.640 -0.653 1.00 0.00 H new ATOM 0 HE1 TRP A 453 52.518 -3.071 1.774 1.00 0.00 H new ATOM 0 HE3 TRP A 453 57.856 -2.728 1.637 1.00 0.00 H new ATOM 0 HZ2 TRP A 453 53.754 -3.407 4.359 1.00 0.00 H new ATOM 0 HZ3 TRP A 453 58.030 -3.106 4.080 1.00 0.00 H new ATOM 0 HH2 TRP A 453 55.986 -3.445 5.442 1.00 0.00 H new ATOM 717 N VAL A 454 58.460 0.171 -1.536 1.00 0.00 N ATOM 718 CA VAL A 454 59.701 0.481 -2.313 1.00 0.00 C ATOM 719 C VAL A 454 60.929 0.458 -1.394 1.00 0.00 C ATOM 720 O VAL A 454 60.854 0.816 -0.237 1.00 0.00 O ATOM 721 CB VAL A 454 59.477 1.882 -2.890 1.00 0.00 C ATOM 722 CG1 VAL A 454 58.368 1.832 -3.941 1.00 0.00 C ATOM 723 CG2 VAL A 454 59.071 2.843 -1.774 1.00 0.00 C ATOM 0 H VAL A 454 58.393 0.625 -0.625 1.00 0.00 H new ATOM 0 HA VAL A 454 59.886 -0.252 -3.098 1.00 0.00 H new ATOM 0 HB VAL A 454 60.402 2.230 -3.349 1.00 0.00 H new ATOM 0 HG11 VAL A 454 58.210 2.830 -4.351 1.00 0.00 H new ATOM 0 HG12 VAL A 454 58.657 1.152 -4.743 1.00 0.00 H new ATOM 0 HG13 VAL A 454 57.446 1.479 -3.480 1.00 0.00 H new ATOM 0 HG21 VAL A 454 58.913 3.838 -2.190 1.00 0.00 H new ATOM 0 HG22 VAL A 454 58.149 2.493 -1.310 1.00 0.00 H new ATOM 0 HG23 VAL A 454 59.861 2.885 -1.024 1.00 0.00 H new ATOM 733 N HIS A 455 62.057 0.029 -1.904 1.00 0.00 N ATOM 734 CA HIS A 455 63.302 -0.036 -1.066 1.00 0.00 C ATOM 735 C HIS A 455 63.494 1.262 -0.274 1.00 0.00 C ATOM 736 O HIS A 455 63.008 2.311 -0.653 1.00 0.00 O ATOM 737 CB HIS A 455 64.465 -0.220 -2.052 1.00 0.00 C ATOM 738 CG HIS A 455 64.183 -1.357 -2.982 1.00 0.00 C ATOM 739 ND1 HIS A 455 64.205 -1.209 -4.373 1.00 0.00 N ATOM 740 CD2 HIS A 455 63.830 -2.654 -2.744 1.00 0.00 C ATOM 741 CE1 HIS A 455 63.860 -2.398 -4.913 1.00 0.00 C ATOM 742 NE2 HIS A 455 63.629 -3.284 -3.956 1.00 0.00 N ATOM 0 H HIS A 455 62.173 -0.281 -2.869 1.00 0.00 H new ATOM 0 HA HIS A 455 63.245 -0.850 -0.344 1.00 0.00 H new ATOM 0 HB2 HIS A 455 64.615 0.697 -2.623 1.00 0.00 H new ATOM 0 HB3 HIS A 455 65.388 -0.410 -1.504 1.00 0.00 H new ATOM 0 HD2 HIS A 455 63.725 -3.111 -1.771 1.00 0.00 H new ATOM 0 HE1 HIS A 455 63.784 -2.597 -5.972 1.00 0.00 H new ATOM 0 HE2 HIS A 455 63.352 -4.257 -4.090 1.00 0.00 H new ATOM 750 N ALA A 456 64.203 1.195 0.819 1.00 0.00 N ATOM 751 CA ALA A 456 64.436 2.420 1.638 1.00 0.00 C ATOM 752 C ALA A 456 65.794 3.034 1.288 1.00 0.00 C ATOM 753 O ALA A 456 65.918 4.232 1.117 1.00 0.00 O ATOM 754 CB ALA A 456 64.423 1.934 3.088 1.00 0.00 C ATOM 0 H ALA A 456 64.632 0.344 1.182 1.00 0.00 H new ATOM 0 HA ALA A 456 63.684 3.188 1.460 1.00 0.00 H new ATOM 0 HB1 ALA A 456 64.588 2.779 3.756 1.00 0.00 H new ATOM 0 HB2 ALA A 456 63.458 1.479 3.311 1.00 0.00 H new ATOM 0 HB3 ALA A 456 65.213 1.197 3.232 1.00 0.00 H new ATOM 760 N GLN A 457 66.812 2.222 1.178 1.00 0.00 N ATOM 761 CA GLN A 457 68.162 2.761 0.836 1.00 0.00 C ATOM 762 C GLN A 457 68.130 3.433 -0.541 1.00 0.00 C ATOM 763 O GLN A 457 68.928 4.302 -0.836 1.00 0.00 O ATOM 764 CB GLN A 457 69.092 1.543 0.825 1.00 0.00 C ATOM 765 CG GLN A 457 68.629 0.541 -0.237 1.00 0.00 C ATOM 766 CD GLN A 457 69.565 0.606 -1.446 1.00 0.00 C ATOM 767 OE1 GLN A 457 69.131 0.855 -2.553 1.00 0.00 O ATOM 768 NE2 GLN A 457 70.841 0.393 -1.279 1.00 0.00 N ATOM 0 H GLN A 457 66.768 1.211 1.310 1.00 0.00 H new ATOM 0 HA GLN A 457 68.497 3.516 1.548 1.00 0.00 H new ATOM 0 HB2 GLN A 457 70.115 1.858 0.619 1.00 0.00 H new ATOM 0 HB3 GLN A 457 69.096 1.069 1.807 1.00 0.00 H new ATOM 0 HG2 GLN A 457 68.623 -0.467 0.178 1.00 0.00 H new ATOM 0 HG3 GLN A 457 67.607 0.766 -0.543 1.00 0.00 H new ATOM 0 HE21 GLN A 457 71.206 0.184 -0.350 1.00 0.00 H new ATOM 0 HE22 GLN A 457 71.474 0.436 -2.078 1.00 0.00 H new ATOM 777 N CYS A 458 67.209 3.042 -1.382 1.00 0.00 N ATOM 778 CA CYS A 458 67.122 3.664 -2.737 1.00 0.00 C ATOM 779 C CYS A 458 66.736 5.140 -2.613 1.00 0.00 C ATOM 780 O CYS A 458 66.939 5.923 -3.522 1.00 0.00 O ATOM 781 CB CYS A 458 66.025 2.884 -3.464 1.00 0.00 C ATOM 782 SG CYS A 458 66.703 1.331 -4.102 1.00 0.00 S ATOM 0 H CYS A 458 66.514 2.320 -1.190 1.00 0.00 H new ATOM 0 HA CYS A 458 68.071 3.624 -3.272 1.00 0.00 H new ATOM 0 HB2 CYS A 458 65.199 2.679 -2.783 1.00 0.00 H new ATOM 0 HB3 CYS A 458 65.623 3.480 -4.283 1.00 0.00 H new ATOM 787 N MET A 459 66.175 5.526 -1.497 1.00 0.00 N ATOM 788 CA MET A 459 65.771 6.951 -1.315 1.00 0.00 C ATOM 789 C MET A 459 66.762 7.667 -0.394 1.00 0.00 C ATOM 790 O MET A 459 66.397 8.545 0.365 1.00 0.00 O ATOM 791 CB MET A 459 64.384 6.895 -0.663 1.00 0.00 C ATOM 792 CG MET A 459 63.463 5.968 -1.468 1.00 0.00 C ATOM 793 SD MET A 459 62.074 6.915 -2.142 1.00 0.00 S ATOM 794 CE MET A 459 61.563 5.702 -3.385 1.00 0.00 C ATOM 0 H MET A 459 65.979 4.916 -0.704 1.00 0.00 H new ATOM 0 HA MET A 459 65.757 7.497 -2.258 1.00 0.00 H new ATOM 0 HB2 MET A 459 64.469 6.535 0.362 1.00 0.00 H new ATOM 0 HB3 MET A 459 63.955 7.896 -0.615 1.00 0.00 H new ATOM 0 HG2 MET A 459 64.022 5.499 -2.278 1.00 0.00 H new ATOM 0 HG3 MET A 459 63.092 5.166 -0.830 1.00 0.00 H new ATOM 0 HE1 MET A 459 60.538 5.908 -3.694 1.00 0.00 H new ATOM 0 HE2 MET A 459 62.223 5.767 -4.250 1.00 0.00 H new ATOM 0 HE3 MET A 459 61.619 4.700 -2.960 1.00 0.00 H new ATOM 804 N ASP A 460 68.016 7.299 -0.452 1.00 0.00 N ATOM 805 CA ASP A 460 69.040 7.954 0.420 1.00 0.00 C ATOM 806 C ASP A 460 68.599 7.908 1.887 1.00 0.00 C ATOM 807 O ASP A 460 68.365 8.927 2.507 1.00 0.00 O ATOM 808 CB ASP A 460 69.122 9.400 -0.073 1.00 0.00 C ATOM 809 CG ASP A 460 70.210 10.143 0.704 1.00 0.00 C ATOM 810 OD1 ASP A 460 71.257 9.558 0.925 1.00 0.00 O ATOM 811 OD2 ASP A 460 69.977 11.285 1.066 1.00 0.00 O ATOM 0 H ASP A 460 68.377 6.570 -1.068 1.00 0.00 H new ATOM 0 HA ASP A 460 70.006 7.452 0.365 1.00 0.00 H new ATOM 0 HB2 ASP A 460 69.344 9.420 -1.140 1.00 0.00 H new ATOM 0 HB3 ASP A 460 68.161 9.896 0.061 1.00 0.00 H new ATOM 816 N LEU A 461 68.484 6.731 2.445 1.00 0.00 N ATOM 817 CA LEU A 461 68.057 6.617 3.870 1.00 0.00 C ATOM 818 C LEU A 461 69.166 5.971 4.708 1.00 0.00 C ATOM 819 O LEU A 461 70.257 5.732 4.231 1.00 0.00 O ATOM 820 CB LEU A 461 66.820 5.720 3.841 1.00 0.00 C ATOM 821 CG LEU A 461 65.576 6.576 3.599 1.00 0.00 C ATOM 822 CD1 LEU A 461 64.381 5.668 3.292 1.00 0.00 C ATOM 823 CD2 LEU A 461 65.277 7.408 4.850 1.00 0.00 C ATOM 0 H LEU A 461 68.667 5.844 1.975 1.00 0.00 H new ATOM 0 HA LEU A 461 67.848 7.589 4.316 1.00 0.00 H new ATOM 0 HB2 LEU A 461 66.918 4.972 3.055 1.00 0.00 H new ATOM 0 HB3 LEU A 461 66.726 5.181 4.784 1.00 0.00 H new ATOM 0 HG LEU A 461 65.753 7.241 2.754 1.00 0.00 H new ATOM 0 HD11 LEU A 461 63.495 6.279 3.120 1.00 0.00 H new ATOM 0 HD12 LEU A 461 64.593 5.076 2.401 1.00 0.00 H new ATOM 0 HD13 LEU A 461 64.204 5.002 4.136 1.00 0.00 H new ATOM 0 HD21 LEU A 461 64.390 8.018 4.678 1.00 0.00 H new ATOM 0 HD22 LEU A 461 65.101 6.743 5.696 1.00 0.00 H new ATOM 0 HD23 LEU A 461 66.126 8.055 5.068 1.00 0.00 H new ATOM 835 N GLU A 462 68.890 5.690 5.953 1.00 0.00 N ATOM 836 CA GLU A 462 69.923 5.059 6.827 1.00 0.00 C ATOM 837 C GLU A 462 69.301 3.921 7.641 1.00 0.00 C ATOM 838 O GLU A 462 68.109 3.893 7.875 1.00 0.00 O ATOM 839 CB GLU A 462 70.398 6.183 7.749 1.00 0.00 C ATOM 840 CG GLU A 462 71.677 5.752 8.474 1.00 0.00 C ATOM 841 CD GLU A 462 72.818 6.706 8.114 1.00 0.00 C ATOM 842 OE1 GLU A 462 73.153 6.781 6.943 1.00 0.00 O ATOM 843 OE2 GLU A 462 73.338 7.343 9.014 1.00 0.00 O ATOM 0 H GLU A 462 67.993 5.870 6.404 1.00 0.00 H new ATOM 0 HA GLU A 462 70.744 4.627 6.255 1.00 0.00 H new ATOM 0 HB2 GLU A 462 70.584 7.087 7.170 1.00 0.00 H new ATOM 0 HB3 GLU A 462 69.621 6.424 8.475 1.00 0.00 H new ATOM 0 HG2 GLU A 462 71.514 5.754 9.552 1.00 0.00 H new ATOM 0 HG3 GLU A 462 71.940 4.732 8.193 1.00 0.00 H new ATOM 850 N GLU A 463 70.101 2.982 8.074 1.00 0.00 N ATOM 851 CA GLU A 463 69.557 1.843 8.875 1.00 0.00 C ATOM 852 C GLU A 463 68.832 2.362 10.122 1.00 0.00 C ATOM 853 O GLU A 463 68.002 1.683 10.694 1.00 0.00 O ATOM 854 CB GLU A 463 70.778 1.008 9.270 1.00 0.00 C ATOM 855 CG GLU A 463 71.794 1.888 10.008 1.00 0.00 C ATOM 856 CD GLU A 463 72.251 1.183 11.287 1.00 0.00 C ATOM 857 OE1 GLU A 463 71.414 0.946 12.141 1.00 0.00 O ATOM 858 OE2 GLU A 463 73.432 0.892 11.389 1.00 0.00 O ATOM 0 H GLU A 463 71.107 2.954 7.908 1.00 0.00 H new ATOM 0 HA GLU A 463 68.831 1.258 8.310 1.00 0.00 H new ATOM 0 HB2 GLU A 463 70.472 0.178 9.907 1.00 0.00 H new ATOM 0 HB3 GLU A 463 71.237 0.575 8.381 1.00 0.00 H new ATOM 0 HG2 GLU A 463 72.651 2.088 9.365 1.00 0.00 H new ATOM 0 HG3 GLU A 463 71.346 2.851 10.252 1.00 0.00 H new ATOM 865 N ARG A 464 69.138 3.560 10.548 1.00 0.00 N ATOM 866 CA ARG A 464 68.464 4.119 11.756 1.00 0.00 C ATOM 867 C ARG A 464 67.109 4.719 11.374 1.00 0.00 C ATOM 868 O ARG A 464 66.080 4.310 11.874 1.00 0.00 O ATOM 869 CB ARG A 464 69.409 5.205 12.271 1.00 0.00 C ATOM 870 CG ARG A 464 70.601 4.554 12.977 1.00 0.00 C ATOM 871 CD ARG A 464 71.883 5.311 12.621 1.00 0.00 C ATOM 872 NE ARG A 464 72.650 5.388 13.895 1.00 0.00 N ATOM 873 CZ ARG A 464 73.885 4.970 13.939 1.00 0.00 C ATOM 874 NH1 ARG A 464 74.189 3.780 13.499 1.00 0.00 N ATOM 875 NH2 ARG A 464 74.818 5.744 14.424 1.00 0.00 N ATOM 0 H ARG A 464 69.825 4.175 10.111 1.00 0.00 H new ATOM 0 HA ARG A 464 68.271 3.358 12.512 1.00 0.00 H new ATOM 0 HB2 ARG A 464 69.757 5.822 11.442 1.00 0.00 H new ATOM 0 HB3 ARG A 464 68.881 5.864 12.960 1.00 0.00 H new ATOM 0 HG2 ARG A 464 70.448 4.565 14.056 1.00 0.00 H new ATOM 0 HG3 ARG A 464 70.688 3.510 12.678 1.00 0.00 H new ATOM 0 HD2 ARG A 464 72.449 4.788 11.850 1.00 0.00 H new ATOM 0 HD3 ARG A 464 71.660 6.305 12.234 1.00 0.00 H new ATOM 0 HE ARG A 464 72.210 5.768 14.733 1.00 0.00 H new ATOM 0 HH11 ARG A 464 73.461 3.175 13.120 1.00 0.00 H new ATOM 0 HH12 ARG A 464 75.155 3.455 13.534 1.00 0.00 H new ATOM 0 HH21 ARG A 464 74.581 6.674 14.768 1.00 0.00 H new ATOM 0 HH22 ARG A 464 75.784 5.418 14.459 1.00 0.00 H new ATOM 889 N THR A 465 67.100 5.682 10.488 1.00 0.00 N ATOM 890 CA THR A 465 65.806 6.308 10.072 1.00 0.00 C ATOM 891 C THR A 465 64.788 5.220 9.720 1.00 0.00 C ATOM 892 O THR A 465 63.611 5.353 9.988 1.00 0.00 O ATOM 893 CB THR A 465 66.145 7.149 8.840 1.00 0.00 C ATOM 894 OG1 THR A 465 67.190 8.057 9.162 1.00 0.00 O ATOM 895 CG2 THR A 465 64.906 7.931 8.399 1.00 0.00 C ATOM 0 H THR A 465 67.931 6.062 10.035 1.00 0.00 H new ATOM 0 HA THR A 465 65.365 6.914 10.864 1.00 0.00 H new ATOM 0 HB THR A 465 66.468 6.495 8.030 1.00 0.00 H new ATOM 0 HG1 THR A 465 67.410 8.596 8.373 1.00 0.00 H new ATOM 0 HG21 THR A 465 65.147 8.530 7.521 1.00 0.00 H new ATOM 0 HG22 THR A 465 64.104 7.234 8.154 1.00 0.00 H new ATOM 0 HG23 THR A 465 64.582 8.586 9.208 1.00 0.00 H new ATOM 903 N LEU A 466 65.236 4.136 9.143 1.00 0.00 N ATOM 904 CA LEU A 466 64.293 3.032 8.806 1.00 0.00 C ATOM 905 C LEU A 466 63.721 2.464 10.103 1.00 0.00 C ATOM 906 O LEU A 466 62.543 2.180 10.207 1.00 0.00 O ATOM 907 CB LEU A 466 65.137 1.983 8.079 1.00 0.00 C ATOM 908 CG LEU A 466 64.339 1.402 6.911 1.00 0.00 C ATOM 909 CD1 LEU A 466 65.223 0.441 6.115 1.00 0.00 C ATOM 910 CD2 LEU A 466 63.123 0.644 7.450 1.00 0.00 C ATOM 0 H LEU A 466 66.210 3.969 8.892 1.00 0.00 H new ATOM 0 HA LEU A 466 63.458 3.359 8.187 1.00 0.00 H new ATOM 0 HB2 LEU A 466 66.060 2.434 7.714 1.00 0.00 H new ATOM 0 HB3 LEU A 466 65.422 1.189 8.769 1.00 0.00 H new ATOM 0 HG LEU A 466 64.006 2.212 6.262 1.00 0.00 H new ATOM 0 HD11 LEU A 466 64.653 0.027 5.283 1.00 0.00 H new ATOM 0 HD12 LEU A 466 66.090 0.978 5.730 1.00 0.00 H new ATOM 0 HD13 LEU A 466 65.557 -0.369 6.764 1.00 0.00 H new ATOM 0 HD21 LEU A 466 62.554 0.230 6.618 1.00 0.00 H new ATOM 0 HD22 LEU A 466 63.457 -0.165 8.099 1.00 0.00 H new ATOM 0 HD23 LEU A 466 62.491 1.327 8.017 1.00 0.00 H new ATOM 922 N ILE A 467 64.549 2.329 11.106 1.00 0.00 N ATOM 923 CA ILE A 467 64.060 1.815 12.415 1.00 0.00 C ATOM 924 C ILE A 467 63.117 2.860 13.012 1.00 0.00 C ATOM 925 O ILE A 467 62.023 2.562 13.450 1.00 0.00 O ATOM 926 CB ILE A 467 65.332 1.626 13.268 1.00 0.00 C ATOM 927 CG1 ILE A 467 65.298 0.247 13.930 1.00 0.00 C ATOM 928 CG2 ILE A 467 65.439 2.704 14.359 1.00 0.00 C ATOM 929 CD1 ILE A 467 65.836 -0.803 12.955 1.00 0.00 C ATOM 0 H ILE A 467 65.543 2.553 11.073 1.00 0.00 H new ATOM 0 HA ILE A 467 63.506 0.879 12.349 1.00 0.00 H new ATOM 0 HB ILE A 467 66.198 1.713 12.611 1.00 0.00 H new ATOM 0 HG12 ILE A 467 65.898 0.254 14.840 1.00 0.00 H new ATOM 0 HG13 ILE A 467 64.278 -0.002 14.223 1.00 0.00 H new ATOM 0 HG21 ILE A 467 66.346 2.543 14.942 1.00 0.00 H new ATOM 0 HG22 ILE A 467 65.477 3.689 13.894 1.00 0.00 H new ATOM 0 HG23 ILE A 467 64.570 2.645 15.015 1.00 0.00 H new ATOM 0 HD11 ILE A 467 65.811 -1.785 13.428 1.00 0.00 H new ATOM 0 HD12 ILE A 467 65.218 -0.817 12.057 1.00 0.00 H new ATOM 0 HD13 ILE A 467 66.863 -0.556 12.685 1.00 0.00 H new ATOM 941 N HIS A 468 63.543 4.093 13.001 1.00 0.00 N ATOM 942 CA HIS A 468 62.698 5.197 13.535 1.00 0.00 C ATOM 943 C HIS A 468 61.343 5.168 12.826 1.00 0.00 C ATOM 944 O HIS A 468 60.296 5.229 13.440 1.00 0.00 O ATOM 945 CB HIS A 468 63.493 6.469 13.192 1.00 0.00 C ATOM 946 CG HIS A 468 62.573 7.556 12.712 1.00 0.00 C ATOM 947 ND1 HIS A 468 62.158 8.598 13.525 1.00 0.00 N ATOM 948 CD2 HIS A 468 61.987 7.769 11.496 1.00 0.00 C ATOM 949 CE1 HIS A 468 61.353 9.387 12.789 1.00 0.00 C ATOM 950 NE2 HIS A 468 61.215 8.927 11.542 1.00 0.00 N ATOM 0 H HIS A 468 64.451 4.385 12.640 1.00 0.00 H new ATOM 0 HA HIS A 468 62.495 5.129 14.604 1.00 0.00 H new ATOM 0 HB2 HIS A 468 64.040 6.810 14.071 1.00 0.00 H new ATOM 0 HB3 HIS A 468 64.233 6.246 12.423 1.00 0.00 H new ATOM 0 HD2 HIS A 468 62.105 7.135 10.630 1.00 0.00 H new ATOM 0 HE1 HIS A 468 60.877 10.282 13.161 1.00 0.00 H new ATOM 0 HE2 HIS A 468 60.664 9.336 10.787 1.00 0.00 H new ATOM 958 N LEU A 469 61.375 5.063 11.529 1.00 0.00 N ATOM 959 CA LEU A 469 60.112 5.015 10.737 1.00 0.00 C ATOM 960 C LEU A 469 59.251 3.833 11.196 1.00 0.00 C ATOM 961 O LEU A 469 58.042 3.852 11.076 1.00 0.00 O ATOM 962 CB LEU A 469 60.568 4.821 9.286 1.00 0.00 C ATOM 963 CG LEU A 469 60.357 6.119 8.505 1.00 0.00 C ATOM 964 CD1 LEU A 469 61.317 6.160 7.313 1.00 0.00 C ATOM 965 CD2 LEU A 469 58.912 6.182 8.000 1.00 0.00 C ATOM 0 H LEU A 469 62.230 5.008 10.976 1.00 0.00 H new ATOM 0 HA LEU A 469 59.507 5.914 10.857 1.00 0.00 H new ATOM 0 HB2 LEU A 469 61.620 4.535 9.260 1.00 0.00 H new ATOM 0 HB3 LEU A 469 60.006 4.010 8.823 1.00 0.00 H new ATOM 0 HG LEU A 469 60.551 6.971 9.157 1.00 0.00 H new ATOM 0 HD11 LEU A 469 61.167 7.085 6.756 1.00 0.00 H new ATOM 0 HD12 LEU A 469 62.345 6.116 7.672 1.00 0.00 H new ATOM 0 HD13 LEU A 469 61.124 5.308 6.661 1.00 0.00 H new ATOM 0 HD21 LEU A 469 58.761 7.107 7.443 1.00 0.00 H new ATOM 0 HD22 LEU A 469 58.717 5.330 7.348 1.00 0.00 H new ATOM 0 HD23 LEU A 469 58.228 6.154 8.849 1.00 0.00 H new ATOM 977 N SER A 470 59.868 2.809 11.723 1.00 0.00 N ATOM 978 CA SER A 470 59.090 1.626 12.193 1.00 0.00 C ATOM 979 C SER A 470 58.783 1.746 13.691 1.00 0.00 C ATOM 980 O SER A 470 58.025 0.971 14.240 1.00 0.00 O ATOM 981 CB SER A 470 59.997 0.426 11.927 1.00 0.00 C ATOM 982 OG SER A 470 59.208 -0.755 11.864 1.00 0.00 O ATOM 0 H SER A 470 60.878 2.741 11.848 1.00 0.00 H new ATOM 0 HA SER A 470 58.131 1.536 11.682 1.00 0.00 H new ATOM 0 HB2 SER A 470 60.539 0.565 10.991 1.00 0.00 H new ATOM 0 HB3 SER A 470 60.743 0.337 12.717 1.00 0.00 H new ATOM 0 HG SER A 470 59.787 -1.527 11.692 1.00 0.00 H new ATOM 988 N GLU A 471 59.368 2.708 14.357 1.00 0.00 N ATOM 989 CA GLU A 471 59.110 2.873 15.818 1.00 0.00 C ATOM 990 C GLU A 471 58.003 3.907 16.051 1.00 0.00 C ATOM 991 O GLU A 471 58.013 4.627 17.031 1.00 0.00 O ATOM 992 CB GLU A 471 60.438 3.365 16.401 1.00 0.00 C ATOM 993 CG GLU A 471 60.776 2.561 17.659 1.00 0.00 C ATOM 994 CD GLU A 471 62.288 2.338 17.733 1.00 0.00 C ATOM 995 OE1 GLU A 471 62.765 1.424 17.082 1.00 0.00 O ATOM 996 OE2 GLU A 471 62.942 3.086 18.440 1.00 0.00 O ATOM 0 H GLU A 471 60.013 3.386 13.952 1.00 0.00 H new ATOM 0 HA GLU A 471 58.777 1.946 16.285 1.00 0.00 H new ATOM 0 HB2 GLU A 471 61.233 3.256 15.663 1.00 0.00 H new ATOM 0 HB3 GLU A 471 60.370 4.426 16.642 1.00 0.00 H new ATOM 0 HG2 GLU A 471 60.433 3.093 18.546 1.00 0.00 H new ATOM 0 HG3 GLU A 471 60.257 1.603 17.641 1.00 0.00 H new ATOM 1003 N GLY A 472 57.051 3.983 15.161 1.00 0.00 N ATOM 1004 CA GLY A 472 55.944 4.969 15.332 1.00 0.00 C ATOM 1005 C GLY A 472 56.111 6.106 14.322 1.00 0.00 C ATOM 1006 O GLY A 472 57.199 6.381 13.857 1.00 0.00 O ATOM 0 H GLY A 472 56.991 3.405 14.323 1.00 0.00 H new ATOM 0 HA2 GLY A 472 54.981 4.479 15.188 1.00 0.00 H new ATOM 0 HA3 GLY A 472 55.951 5.366 16.347 1.00 0.00 H new ATOM 1010 N SER A 473 55.036 6.771 13.981 1.00 0.00 N ATOM 1011 CA SER A 473 55.121 7.896 12.998 1.00 0.00 C ATOM 1012 C SER A 473 55.778 7.422 11.697 1.00 0.00 C ATOM 1013 O SER A 473 56.986 7.332 11.599 1.00 0.00 O ATOM 1014 CB SER A 473 55.984 8.960 13.677 1.00 0.00 C ATOM 1015 OG SER A 473 55.553 10.249 13.262 1.00 0.00 O ATOM 0 H SER A 473 54.100 6.583 14.342 1.00 0.00 H new ATOM 0 HA SER A 473 54.136 8.280 12.733 1.00 0.00 H new ATOM 0 HB2 SER A 473 55.907 8.870 14.761 1.00 0.00 H new ATOM 0 HB3 SER A 473 57.033 8.814 13.418 1.00 0.00 H new ATOM 0 HG SER A 473 56.103 10.934 13.697 1.00 0.00 H new ATOM 1021 N ASN A 474 54.990 7.119 10.701 1.00 0.00 N ATOM 1022 CA ASN A 474 55.569 6.649 9.408 1.00 0.00 C ATOM 1023 C ASN A 474 55.330 7.688 8.307 1.00 0.00 C ATOM 1024 O ASN A 474 55.085 7.349 7.166 1.00 0.00 O ATOM 1025 CB ASN A 474 54.831 5.345 9.092 1.00 0.00 C ATOM 1026 CG ASN A 474 53.329 5.616 8.973 1.00 0.00 C ATOM 1027 OD1 ASN A 474 52.838 5.921 7.904 1.00 0.00 O ATOM 1028 ND2 ASN A 474 52.574 5.516 10.032 1.00 0.00 N ATOM 0 H ASN A 474 53.972 7.176 10.726 1.00 0.00 H new ATOM 0 HA ASN A 474 56.647 6.501 9.469 1.00 0.00 H new ATOM 0 HB2 ASN A 474 55.208 4.919 8.162 1.00 0.00 H new ATOM 0 HB3 ASN A 474 55.017 4.612 9.877 1.00 0.00 H new ATOM 0 HD21 ASN A 474 51.572 5.694 9.963 1.00 0.00 H new ATOM 0 HD22 ASN A 474 52.986 5.260 10.929 1.00 0.00 H new ATOM 1035 N LYS A 475 55.404 8.949 8.641 1.00 0.00 N ATOM 1036 CA LYS A 475 55.185 10.008 7.611 1.00 0.00 C ATOM 1037 C LYS A 475 56.353 10.018 6.619 1.00 0.00 C ATOM 1038 O LYS A 475 57.217 10.872 6.669 1.00 0.00 O ATOM 1039 CB LYS A 475 55.127 11.325 8.394 1.00 0.00 C ATOM 1040 CG LYS A 475 53.743 11.958 8.230 1.00 0.00 C ATOM 1041 CD LYS A 475 52.806 11.423 9.315 1.00 0.00 C ATOM 1042 CE LYS A 475 53.070 12.161 10.629 1.00 0.00 C ATOM 1043 NZ LYS A 475 52.212 13.377 10.565 1.00 0.00 N ATOM 0 H LYS A 475 55.606 9.292 9.580 1.00 0.00 H new ATOM 0 HA LYS A 475 54.275 9.845 7.033 1.00 0.00 H new ATOM 0 HB2 LYS A 475 55.332 11.142 9.449 1.00 0.00 H new ATOM 0 HB3 LYS A 475 55.896 12.008 8.034 1.00 0.00 H new ATOM 0 HG2 LYS A 475 53.817 13.043 8.301 1.00 0.00 H new ATOM 0 HG3 LYS A 475 53.342 11.730 7.243 1.00 0.00 H new ATOM 0 HD2 LYS A 475 51.768 11.558 9.012 1.00 0.00 H new ATOM 0 HD3 LYS A 475 52.962 10.353 9.449 1.00 0.00 H new ATOM 0 HE2 LYS A 475 52.814 11.541 11.488 1.00 0.00 H new ATOM 0 HE3 LYS A 475 54.123 12.425 10.729 1.00 0.00 H new ATOM 0 HZ1 LYS A 475 52.338 13.937 11.433 1.00 0.00 H new ATOM 0 HZ2 LYS A 475 52.483 13.950 9.741 1.00 0.00 H new ATOM 0 HZ3 LYS A 475 51.215 13.094 10.477 1.00 0.00 H new ATOM 1057 N TYR A 476 56.385 9.070 5.721 1.00 0.00 N ATOM 1058 CA TYR A 476 57.497 9.017 4.727 1.00 0.00 C ATOM 1059 C TYR A 476 56.948 8.746 3.324 1.00 0.00 C ATOM 1060 O TYR A 476 56.255 7.774 3.094 1.00 0.00 O ATOM 1061 CB TYR A 476 58.382 7.860 5.189 1.00 0.00 C ATOM 1062 CG TYR A 476 59.661 7.866 4.391 1.00 0.00 C ATOM 1063 CD1 TYR A 476 59.647 7.475 3.050 1.00 0.00 C ATOM 1064 CD2 TYR A 476 60.860 8.266 4.992 1.00 0.00 C ATOM 1065 CE1 TYR A 476 60.832 7.485 2.306 1.00 0.00 C ATOM 1066 CE2 TYR A 476 62.046 8.276 4.249 1.00 0.00 C ATOM 1067 CZ TYR A 476 62.031 7.884 2.905 1.00 0.00 C ATOM 1068 OH TYR A 476 63.199 7.895 2.171 1.00 0.00 O ATOM 0 H TYR A 476 55.689 8.330 5.632 1.00 0.00 H new ATOM 0 HA TYR A 476 58.046 9.957 4.673 1.00 0.00 H new ATOM 0 HB2 TYR A 476 58.602 7.957 6.252 1.00 0.00 H new ATOM 0 HB3 TYR A 476 57.861 6.912 5.056 1.00 0.00 H new ATOM 0 HD1 TYR A 476 58.722 7.165 2.588 1.00 0.00 H new ATOM 0 HD2 TYR A 476 60.870 8.567 6.029 1.00 0.00 H new ATOM 0 HE1 TYR A 476 60.821 7.184 1.269 1.00 0.00 H new ATOM 0 HE2 TYR A 476 62.971 8.586 4.712 1.00 0.00 H new ATOM 0 HH TYR A 476 63.794 8.595 2.513 1.00 0.00 H new ATOM 1078 N TYR A 477 57.259 9.598 2.384 1.00 0.00 N ATOM 1079 CA TYR A 477 56.764 9.394 0.992 1.00 0.00 C ATOM 1080 C TYR A 477 57.860 8.750 0.139 1.00 0.00 C ATOM 1081 O TYR A 477 58.953 8.500 0.605 1.00 0.00 O ATOM 1082 CB TYR A 477 56.436 10.795 0.476 1.00 0.00 C ATOM 1083 CG TYR A 477 55.340 11.401 1.320 1.00 0.00 C ATOM 1084 CD1 TYR A 477 55.643 11.961 2.567 1.00 0.00 C ATOM 1085 CD2 TYR A 477 54.019 11.403 0.855 1.00 0.00 C ATOM 1086 CE1 TYR A 477 54.627 12.522 3.348 1.00 0.00 C ATOM 1087 CE2 TYR A 477 53.003 11.965 1.636 1.00 0.00 C ATOM 1088 CZ TYR A 477 53.307 12.525 2.883 1.00 0.00 C ATOM 1089 OH TYR A 477 52.304 13.079 3.653 1.00 0.00 O ATOM 0 H TYR A 477 57.836 10.428 2.521 1.00 0.00 H new ATOM 0 HA TYR A 477 55.896 8.735 0.952 1.00 0.00 H new ATOM 0 HB2 TYR A 477 57.326 11.424 0.511 1.00 0.00 H new ATOM 0 HB3 TYR A 477 56.121 10.745 -0.566 1.00 0.00 H new ATOM 0 HD1 TYR A 477 56.662 11.960 2.926 1.00 0.00 H new ATOM 0 HD2 TYR A 477 53.784 10.971 -0.107 1.00 0.00 H new ATOM 0 HE1 TYR A 477 54.861 12.953 4.310 1.00 0.00 H new ATOM 0 HE2 TYR A 477 51.984 11.967 1.277 1.00 0.00 H new ATOM 0 HH TYR A 477 51.448 12.999 3.182 1.00 0.00 H new ATOM 1099 N CYS A 478 57.578 8.482 -1.108 1.00 0.00 N ATOM 1100 CA CYS A 478 58.609 7.857 -1.985 1.00 0.00 C ATOM 1101 C CYS A 478 59.315 8.937 -2.817 1.00 0.00 C ATOM 1102 O CYS A 478 59.227 10.114 -2.522 1.00 0.00 O ATOM 1103 CB CYS A 478 57.832 6.867 -2.871 1.00 0.00 C ATOM 1104 SG CYS A 478 57.150 7.709 -4.323 1.00 0.00 S ATOM 0 H CYS A 478 56.681 8.668 -1.556 1.00 0.00 H new ATOM 0 HA CYS A 478 59.392 7.348 -1.423 1.00 0.00 H new ATOM 0 HB2 CYS A 478 58.492 6.060 -3.189 1.00 0.00 H new ATOM 0 HB3 CYS A 478 57.026 6.412 -2.296 1.00 0.00 H new ATOM 1109 N ASN A 479 60.017 8.548 -3.847 1.00 0.00 N ATOM 1110 CA ASN A 479 60.731 9.554 -4.689 1.00 0.00 C ATOM 1111 C ASN A 479 59.787 10.137 -5.747 1.00 0.00 C ATOM 1112 O ASN A 479 59.812 11.319 -6.028 1.00 0.00 O ATOM 1113 CB ASN A 479 61.869 8.776 -5.356 1.00 0.00 C ATOM 1114 CG ASN A 479 63.212 9.248 -4.794 1.00 0.00 C ATOM 1115 OD1 ASN A 479 63.596 8.866 -3.705 1.00 0.00 O ATOM 1116 ND2 ASN A 479 63.947 10.068 -5.494 1.00 0.00 N ATOM 0 H ASN A 479 60.128 7.578 -4.143 1.00 0.00 H new ATOM 0 HA ASN A 479 61.099 10.394 -4.100 1.00 0.00 H new ATOM 0 HB2 ASN A 479 61.745 7.708 -5.180 1.00 0.00 H new ATOM 0 HB3 ASN A 479 61.842 8.926 -6.435 1.00 0.00 H new ATOM 0 HD21 ASN A 479 64.843 10.389 -5.128 1.00 0.00 H new ATOM 0 HD22 ASN A 479 63.625 10.388 -6.407 1.00 0.00 H new ATOM 1123 N GLU A 480 58.963 9.315 -6.342 1.00 0.00 N ATOM 1124 CA GLU A 480 58.024 9.821 -7.389 1.00 0.00 C ATOM 1125 C GLU A 480 56.792 10.487 -6.760 1.00 0.00 C ATOM 1126 O GLU A 480 55.886 10.903 -7.456 1.00 0.00 O ATOM 1127 CB GLU A 480 57.611 8.579 -8.180 1.00 0.00 C ATOM 1128 CG GLU A 480 57.257 8.981 -9.614 1.00 0.00 C ATOM 1129 CD GLU A 480 56.125 8.091 -10.129 1.00 0.00 C ATOM 1130 OE1 GLU A 480 54.999 8.290 -9.702 1.00 0.00 O ATOM 1131 OE2 GLU A 480 56.402 7.224 -10.942 1.00 0.00 O ATOM 0 H GLU A 480 58.899 8.315 -6.149 1.00 0.00 H new ATOM 0 HA GLU A 480 58.494 10.579 -8.016 1.00 0.00 H new ATOM 0 HB2 GLU A 480 58.423 7.851 -8.185 1.00 0.00 H new ATOM 0 HB3 GLU A 480 56.756 8.099 -7.704 1.00 0.00 H new ATOM 0 HG2 GLU A 480 56.954 10.028 -9.645 1.00 0.00 H new ATOM 0 HG3 GLU A 480 58.132 8.883 -10.257 1.00 0.00 H new ATOM 1138 N HIS A 481 56.746 10.598 -5.457 1.00 0.00 N ATOM 1139 CA HIS A 481 55.567 11.244 -4.807 1.00 0.00 C ATOM 1140 C HIS A 481 56.033 12.277 -3.777 1.00 0.00 C ATOM 1141 O HIS A 481 55.376 12.517 -2.783 1.00 0.00 O ATOM 1142 CB HIS A 481 54.811 10.104 -4.120 1.00 0.00 C ATOM 1143 CG HIS A 481 54.257 9.170 -5.162 1.00 0.00 C ATOM 1144 ND1 HIS A 481 54.340 7.776 -5.037 1.00 0.00 N ATOM 1145 CD2 HIS A 481 53.614 9.404 -6.358 1.00 0.00 C ATOM 1146 CE1 HIS A 481 53.766 7.235 -6.131 1.00 0.00 C ATOM 1147 NE2 HIS A 481 53.321 8.186 -6.938 1.00 0.00 N ATOM 0 H HIS A 481 57.470 10.271 -4.818 1.00 0.00 H new ATOM 0 HA HIS A 481 54.939 11.771 -5.525 1.00 0.00 H new ATOM 0 HB2 HIS A 481 55.478 9.563 -3.449 1.00 0.00 H new ATOM 0 HB3 HIS A 481 54.002 10.506 -3.509 1.00 0.00 H new ATOM 0 HD2 HIS A 481 53.379 10.374 -6.771 1.00 0.00 H new ATOM 0 HE1 HIS A 481 53.681 6.175 -6.322 1.00 0.00 H new ATOM 0 HE2 HIS A 481 52.846 8.044 -7.830 1.00 0.00 H new ATOM 1155 N VAL A 482 57.164 12.890 -4.010 1.00 0.00 N ATOM 1156 CA VAL A 482 57.675 13.909 -3.047 1.00 0.00 C ATOM 1157 C VAL A 482 57.339 15.317 -3.540 1.00 0.00 C ATOM 1158 O VAL A 482 57.195 16.244 -2.767 1.00 0.00 O ATOM 1159 CB VAL A 482 59.190 13.687 -3.003 1.00 0.00 C ATOM 1160 CG1 VAL A 482 59.828 14.135 -4.323 1.00 0.00 C ATOM 1161 CG2 VAL A 482 59.790 14.494 -1.849 1.00 0.00 C ATOM 0 H VAL A 482 57.755 12.729 -4.825 1.00 0.00 H new ATOM 0 HA VAL A 482 57.226 13.811 -2.059 1.00 0.00 H new ATOM 0 HB VAL A 482 59.389 12.626 -2.854 1.00 0.00 H new ATOM 0 HG11 VAL A 482 60.905 13.973 -4.280 1.00 0.00 H new ATOM 0 HG12 VAL A 482 59.406 13.557 -5.145 1.00 0.00 H new ATOM 0 HG13 VAL A 482 59.627 15.194 -4.483 1.00 0.00 H new ATOM 0 HG21 VAL A 482 60.868 14.337 -1.817 1.00 0.00 H new ATOM 0 HG22 VAL A 482 59.582 15.553 -1.999 1.00 0.00 H new ATOM 0 HG23 VAL A 482 59.347 14.167 -0.908 1.00 0.00 H new ATOM 1171 N GLN A 483 57.214 15.474 -4.824 1.00 0.00 N ATOM 1172 CA GLN A 483 56.887 16.814 -5.392 1.00 0.00 C ATOM 1173 C GLN A 483 55.733 16.697 -6.393 1.00 0.00 C ATOM 1174 O GLN A 483 55.922 16.809 -7.589 1.00 0.00 O ATOM 1175 CB GLN A 483 58.165 17.270 -6.096 1.00 0.00 C ATOM 1176 CG GLN A 483 58.310 18.787 -5.960 1.00 0.00 C ATOM 1177 CD GLN A 483 57.462 19.478 -7.031 1.00 0.00 C ATOM 1178 OE1 GLN A 483 56.289 19.720 -6.831 1.00 0.00 O ATOM 1179 NE2 GLN A 483 58.011 19.807 -8.169 1.00 0.00 N ATOM 0 H GLN A 483 57.324 14.729 -5.512 1.00 0.00 H new ATOM 0 HA GLN A 483 56.571 17.521 -4.625 1.00 0.00 H new ATOM 0 HB2 GLN A 483 59.031 16.771 -5.660 1.00 0.00 H new ATOM 0 HB3 GLN A 483 58.132 16.990 -7.149 1.00 0.00 H new ATOM 0 HG2 GLN A 483 57.992 19.106 -4.967 1.00 0.00 H new ATOM 0 HG3 GLN A 483 59.356 19.074 -6.068 1.00 0.00 H new ATOM 0 HE21 GLN A 483 58.996 19.604 -8.337 1.00 0.00 H new ATOM 0 HE22 GLN A 483 57.455 20.267 -8.890 1.00 0.00 H new ATOM 1188 N ILE A 484 54.540 16.472 -5.912 1.00 0.00 N ATOM 1189 CA ILE A 484 53.371 16.347 -6.832 1.00 0.00 C ATOM 1190 C ILE A 484 52.516 17.617 -6.773 1.00 0.00 C ATOM 1191 O ILE A 484 51.946 17.944 -5.751 1.00 0.00 O ATOM 1192 CB ILE A 484 52.583 15.142 -6.314 1.00 0.00 C ATOM 1193 CG1 ILE A 484 53.472 13.891 -6.345 1.00 0.00 C ATOM 1194 CG2 ILE A 484 51.351 14.914 -7.193 1.00 0.00 C ATOM 1195 CD1 ILE A 484 53.947 13.619 -7.776 1.00 0.00 C ATOM 0 H ILE A 484 54.323 16.369 -4.921 1.00 0.00 H new ATOM 0 HA ILE A 484 53.674 16.216 -7.871 1.00 0.00 H new ATOM 0 HB ILE A 484 52.265 15.336 -5.289 1.00 0.00 H new ATOM 0 HG12 ILE A 484 54.331 14.029 -5.688 1.00 0.00 H new ATOM 0 HG13 ILE A 484 52.918 13.032 -5.968 1.00 0.00 H new ATOM 0 HG21 ILE A 484 50.793 14.055 -6.821 1.00 0.00 H new ATOM 0 HG22 ILE A 484 50.716 15.799 -7.166 1.00 0.00 H new ATOM 0 HG23 ILE A 484 51.666 14.725 -8.219 1.00 0.00 H new ATOM 0 HD11 ILE A 484 54.577 12.730 -7.787 1.00 0.00 H new ATOM 0 HD12 ILE A 484 53.084 13.460 -8.422 1.00 0.00 H new ATOM 0 HD13 ILE A 484 54.519 14.473 -8.138 1.00 0.00 H new ATOM 1207 N ALA A 485 52.424 18.333 -7.862 1.00 0.00 N ATOM 1208 CA ALA A 485 51.607 19.581 -7.870 1.00 0.00 C ATOM 1209 C ALA A 485 51.225 19.956 -9.302 1.00 0.00 C ATOM 1210 O ALA A 485 50.101 20.324 -9.581 1.00 0.00 O ATOM 1211 CB ALA A 485 52.510 20.651 -7.257 1.00 0.00 C ATOM 0 H ALA A 485 52.879 18.107 -8.746 1.00 0.00 H new ATOM 0 HA ALA A 485 50.676 19.467 -7.315 1.00 0.00 H new ATOM 0 HB1 ALA A 485 51.979 21.602 -7.228 1.00 0.00 H new ATOM 0 HB2 ALA A 485 52.785 20.358 -6.244 1.00 0.00 H new ATOM 0 HB3 ALA A 485 53.411 20.757 -7.862 1.00 0.00 H new ATOM 1217 N ARG A 486 52.155 19.863 -10.210 1.00 0.00 N ATOM 1218 CA ARG A 486 51.857 20.211 -11.631 1.00 0.00 C ATOM 1219 C ARG A 486 51.994 18.971 -12.520 1.00 0.00 C ATOM 1220 O ARG A 486 52.751 18.067 -12.226 1.00 0.00 O ATOM 1221 CB ARG A 486 52.897 21.268 -12.012 1.00 0.00 C ATOM 1222 CG ARG A 486 54.307 20.712 -11.796 1.00 0.00 C ATOM 1223 CD ARG A 486 55.295 21.464 -12.690 1.00 0.00 C ATOM 1224 NE ARG A 486 56.630 21.220 -12.075 1.00 0.00 N ATOM 1225 CZ ARG A 486 57.577 20.661 -12.775 1.00 0.00 C ATOM 1226 NH1 ARG A 486 57.318 19.606 -13.499 1.00 0.00 N ATOM 1227 NH2 ARG A 486 58.785 21.155 -12.752 1.00 0.00 N ATOM 0 H ARG A 486 53.112 19.560 -10.031 1.00 0.00 H new ATOM 0 HA ARG A 486 50.840 20.581 -11.760 1.00 0.00 H new ATOM 0 HB2 ARG A 486 52.767 21.560 -13.054 1.00 0.00 H new ATOM 0 HB3 ARG A 486 52.754 22.165 -11.410 1.00 0.00 H new ATOM 0 HG2 ARG A 486 54.594 20.817 -10.750 1.00 0.00 H new ATOM 0 HG3 ARG A 486 54.329 19.647 -12.027 1.00 0.00 H new ATOM 0 HD2 ARG A 486 55.259 21.096 -13.715 1.00 0.00 H new ATOM 0 HD3 ARG A 486 55.065 22.529 -12.725 1.00 0.00 H new ATOM 0 HE ARG A 486 56.803 21.490 -11.107 1.00 0.00 H new ATOM 0 HH11 ARG A 486 56.374 19.219 -13.517 1.00 0.00 H new ATOM 0 HH12 ARG A 486 58.059 19.169 -14.047 1.00 0.00 H new ATOM 0 HH21 ARG A 486 58.988 21.979 -12.186 1.00 0.00 H new ATOM 0 HH22 ARG A 486 59.526 20.717 -13.300 1.00 0.00 H new ATOM 1241 N ALA A 487 51.267 18.924 -13.607 1.00 0.00 N ATOM 1242 CA ALA A 487 51.350 17.743 -14.522 1.00 0.00 C ATOM 1243 C ALA A 487 51.122 16.445 -13.740 1.00 0.00 C ATOM 1244 O ALA A 487 51.697 15.439 -14.122 1.00 0.00 O ATOM 1245 CB ALA A 487 52.767 17.782 -15.098 1.00 0.00 C ATOM 1246 OXT ALA A 487 50.377 16.481 -12.775 1.00 0.00 O ATOM 0 H ALA A 487 50.618 19.653 -13.902 1.00 0.00 H new ATOM 0 HA ALA A 487 50.592 17.777 -15.305 1.00 0.00 H new ATOM 0 HB1 ALA A 487 52.905 16.944 -15.781 1.00 0.00 H new ATOM 0 HB2 ALA A 487 52.915 18.718 -15.637 1.00 0.00 H new ATOM 0 HB3 ALA A 487 53.492 17.712 -14.287 1.00 0.00 H new TER 1252 ALA A 487 HETATM 1253 ZN ZN A 488 64.823 0.537 -5.270 1.00 0.00 ZN HETATM 1254 ZN ZN A 489 55.203 6.644 -3.569 1.00 0.00 ZN