USER MOD reduce.3.24.130724 H: found=0, std=0, add=1026, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 1029 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 Set 1.1: A 518 CYS SG : rot 180:sc= -0.335 USER MOD Set 1.2: A 520 LYS NZ :NH3+ -106:sc= 0.186 (180deg=0) USER MOD Set 2.1: A 469 LYS NZ :NH3+ -115:sc= 0.628 (180deg=0) USER MOD Set 2.2: A 470 GLN : amide:sc= -3.78! C(o=-3.1!,f=-9.7!) USER MOD Single : A 437 MET CE :methyl 157:sc= -0.149 (180deg=-0.866) USER MOD Single : A 438 HIS : no HE2:sc= -0.112 K(o=-0.11,f=-2.7) USER MOD Single : A 439 HIS : no HD1:sc= -0.0322 X(o=-0.032,f=-0.31) USER MOD Single : A 440 HIS : no HD1:sc= -3.21! C(o=-3.2!,f=-3.9!) USER MOD Single : A 441 HIS : no HD1:sc= -1.37 X(o=-1.4,f=-1.4) USER MOD Single : A 442 HIS : no HD1:sc= -0.273 X(o=-0.27,f=-0.35) USER MOD Single : A 443 HIS : no HD1:sc= -0.425 X(o=-0.42,f=-0.23) USER MOD Single : A 444 SER OG : rot 180:sc= -0.829 USER MOD Single : A 445 ASN : amide:sc= 0.502 K(o=0.5,f=-3.5!) USER MOD Single : A 447 THR OG1 : rot -39:sc= 0.0739 USER MOD Single : A 450 GLN : amide:sc= -0.633 X(o=-0.63,f=-0.63) USER MOD Single : A 453 SER OG : rot 109:sc= 1.24 USER MOD Single : A 458 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 461 SER OG : rot 58:sc= -1! USER MOD Single : A 462 THR OG1 : rot 180:sc= 0 USER MOD Single : A 474 THR OG1 : rot 43:sc= -1.38 USER MOD Single : A 479 SER OG : rot 180:sc= 0 USER MOD Single : A 483 TYR OH : rot 180:sc= 0 USER MOD Single : A 491 THR OG1 : rot 180:sc= 0.046 USER MOD Single : A 493 CYS SG : rot -60:sc= -2.07 USER MOD Single : A 494 HIS : no HD1:sc= -4.47! C(o=-4.5!,f=-6.3!) USER MOD Single : A 498 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 499 THR OG1 : rot 71:sc= 0.108 USER MOD Single : A 504 GLN : amide:sc= -3.49! C(o=-3.5!,f=-9.9!) USER MOD Single : A 508 ASN : amide:sc= -2.95! C(o=-2.9!,f=-3.8!) USER MOD Single : A 510 TYR OH : rot 76:sc= 0.946 USER MOD Single : A 511 THR OG1 : rot 180:sc= 0 USER MOD Single : A 514 ASN : amide:sc= -0.99 K(o=-0.99,f=-0.046) USER MOD Single : A 515 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 516 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 517 HIS : no HE2:sc= -6.79! C(o=-6.8!,f=-8.2!) USER MOD Single : A 525 SER OG : rot 180:sc= -0.17 USER MOD Single : A 528 HIS : no HD1:sc= -2.29! C(o=-2.3!,f=-3.4!) USER MOD Single : A 530 GLN : amide:sc= -0.777 K(o=-0.78,f=0) USER MOD Single : A 532 TYR OH : rot 88:sc= -0.0711 USER MOD Single : A 534 GLN : amide:sc= -0.669 K(o=-0.67,f=-0.17) USER MOD Single : A 535 LYS NZ :NH3+ -126:sc= 0.0354 (180deg=0) USER MOD Single : A 541 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 543 LYS NZ :NH3+ -138:sc= 0.242 (180deg=0) USER MOD Single : A 545 ASN : amide:sc= -0.588 K(o=-0.59,f=-0.029) USER MOD Single : A 546 GLN : amide:sc=-0.00712 X(o=-0.0071,f=-0.42) USER MOD Single : A 550 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 551 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0332) USER MOD Single : A 554 THR OG1 : rot -60:sc= 0.292 USER MOD Single : A 556 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 559 THR OG1 : rot 180:sc= 0 USER MOD Single : A 560 LYS NZ :NH3+ -167:sc= -0.0147 (180deg=-0.175) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 437 107.118 22.367 4.935 1.00 0.00 N ATOM 2 CA MET A 437 108.180 22.181 3.912 1.00 0.00 C ATOM 3 C MET A 437 109.071 20.991 4.252 1.00 0.00 C ATOM 4 O MET A 437 110.102 21.141 4.906 1.00 0.00 O ATOM 5 CB MET A 437 109.014 23.461 3.837 1.00 0.00 C ATOM 6 CG MET A 437 110.247 23.331 2.961 1.00 0.00 C ATOM 7 SD MET A 437 109.839 23.145 1.215 1.00 0.00 S ATOM 8 CE MET A 437 109.048 24.716 0.885 1.00 0.00 C ATOM 0 HA MET A 437 107.716 21.978 2.947 1.00 0.00 H new ATOM 0 HB2 MET A 437 108.390 24.269 3.455 1.00 0.00 H new ATOM 0 HB3 MET A 437 109.322 23.744 4.844 1.00 0.00 H new ATOM 0 HG2 MET A 437 110.876 24.212 3.092 1.00 0.00 H new ATOM 0 HG3 MET A 437 110.831 22.471 3.288 1.00 0.00 H new ATOM 0 HE1 MET A 437 109.105 24.935 -0.181 1.00 0.00 H new ATOM 0 HE2 MET A 437 108.003 24.668 1.191 1.00 0.00 H new ATOM 0 HE3 MET A 437 109.554 25.503 1.444 1.00 0.00 H new ATOM 20 N HIS A 438 108.663 19.809 3.804 1.00 0.00 N ATOM 21 CA HIS A 438 109.421 18.590 4.061 1.00 0.00 C ATOM 22 C HIS A 438 108.766 17.395 3.377 1.00 0.00 C ATOM 23 O HIS A 438 107.919 16.718 3.962 1.00 0.00 O ATOM 24 CB HIS A 438 109.524 18.341 5.566 1.00 0.00 C ATOM 25 CG HIS A 438 108.290 18.732 6.318 1.00 0.00 C ATOM 26 ND1 HIS A 438 107.015 18.530 5.831 1.00 0.00 N ATOM 27 CD2 HIS A 438 108.138 19.319 7.531 1.00 0.00 C ATOM 28 CE1 HIS A 438 106.134 18.976 6.709 1.00 0.00 C ATOM 29 NE2 HIS A 438 106.789 19.459 7.748 1.00 0.00 N ATOM 0 H HIS A 438 107.811 19.669 3.261 1.00 0.00 H new ATOM 0 HA HIS A 438 110.424 18.716 3.652 1.00 0.00 H new ATOM 0 HB2 HIS A 438 109.727 17.284 5.739 1.00 0.00 H new ATOM 0 HB3 HIS A 438 110.374 18.897 5.962 1.00 0.00 H new ATOM 0 HD1 HIS A 438 106.788 18.103 4.933 1.00 0.00 H new ATOM 0 HD2 HIS A 438 108.930 19.620 8.201 1.00 0.00 H new ATOM 0 HE1 HIS A 438 105.060 18.950 6.596 1.00 0.00 H new ATOM 38 N HIS A 439 109.157 17.143 2.133 1.00 0.00 N ATOM 39 CA HIS A 439 108.603 16.033 1.366 1.00 0.00 C ATOM 40 C HIS A 439 109.700 15.067 0.930 1.00 0.00 C ATOM 41 O HIS A 439 110.867 15.237 1.280 1.00 0.00 O ATOM 42 CB HIS A 439 107.860 16.564 0.140 1.00 0.00 C ATOM 43 CG HIS A 439 108.572 17.685 -0.548 1.00 0.00 C ATOM 44 ND1 HIS A 439 108.443 19.005 -0.170 1.00 0.00 N ATOM 45 CD2 HIS A 439 109.434 17.678 -1.593 1.00 0.00 C ATOM 46 CE1 HIS A 439 109.193 19.761 -0.953 1.00 0.00 C ATOM 47 NE2 HIS A 439 109.803 18.980 -1.823 1.00 0.00 N ATOM 0 H HIS A 439 109.856 17.693 1.634 1.00 0.00 H new ATOM 0 HA HIS A 439 107.905 15.492 2.006 1.00 0.00 H new ATOM 0 HB2 HIS A 439 107.713 15.748 -0.568 1.00 0.00 H new ATOM 0 HB3 HIS A 439 106.870 16.905 0.444 1.00 0.00 H new ATOM 0 HD2 HIS A 439 109.768 16.810 -2.142 1.00 0.00 H new ATOM 0 HE1 HIS A 439 109.290 20.835 -0.891 1.00 0.00 H new ATOM 0 HE2 HIS A 439 110.446 19.293 -2.550 1.00 0.00 H new ATOM 56 N HIS A 440 109.315 14.052 0.163 1.00 0.00 N ATOM 57 CA HIS A 440 110.264 13.058 -0.322 1.00 0.00 C ATOM 58 C HIS A 440 109.685 12.276 -1.497 1.00 0.00 C ATOM 59 O HIS A 440 108.572 11.757 -1.422 1.00 0.00 O ATOM 60 CB HIS A 440 110.647 12.094 0.801 1.00 0.00 C ATOM 61 CG HIS A 440 110.384 12.636 2.172 1.00 0.00 C ATOM 62 ND1 HIS A 440 111.349 13.266 2.930 1.00 0.00 N ATOM 63 CD2 HIS A 440 109.257 12.639 2.923 1.00 0.00 C ATOM 64 CE1 HIS A 440 110.827 13.633 4.087 1.00 0.00 C ATOM 65 NE2 HIS A 440 109.559 13.265 4.108 1.00 0.00 N ATOM 0 H HIS A 440 108.352 13.897 -0.136 1.00 0.00 H new ATOM 0 HA HIS A 440 111.156 13.585 -0.662 1.00 0.00 H new ATOM 0 HB2 HIS A 440 110.093 11.164 0.675 1.00 0.00 H new ATOM 0 HB3 HIS A 440 111.705 11.849 0.713 1.00 0.00 H new ATOM 0 HD2 HIS A 440 108.299 12.226 2.643 1.00 0.00 H new ATOM 0 HE1 HIS A 440 111.349 14.147 4.881 1.00 0.00 H new ATOM 0 HE2 HIS A 440 108.909 13.420 4.879 1.00 0.00 H new ATOM 74 N HIS A 441 110.452 12.194 -2.579 1.00 0.00 N ATOM 75 CA HIS A 441 110.020 11.473 -3.770 1.00 0.00 C ATOM 76 C HIS A 441 110.948 11.759 -4.945 1.00 0.00 C ATOM 77 O HIS A 441 110.785 12.755 -5.651 1.00 0.00 O ATOM 78 CB HIS A 441 108.583 11.853 -4.131 1.00 0.00 C ATOM 79 CG HIS A 441 107.580 10.799 -3.776 1.00 0.00 C ATOM 80 ND1 HIS A 441 106.362 11.082 -3.194 1.00 0.00 N ATOM 81 CD2 HIS A 441 107.623 9.453 -3.919 1.00 0.00 C ATOM 82 CE1 HIS A 441 105.699 9.957 -2.994 1.00 0.00 C ATOM 83 NE2 HIS A 441 106.442 8.955 -3.425 1.00 0.00 N ATOM 0 H HIS A 441 111.376 12.618 -2.655 1.00 0.00 H new ATOM 0 HA HIS A 441 110.059 10.406 -3.552 1.00 0.00 H new ATOM 0 HB2 HIS A 441 108.321 12.780 -3.620 1.00 0.00 H new ATOM 0 HB3 HIS A 441 108.526 12.052 -5.201 1.00 0.00 H new ATOM 0 HD2 HIS A 441 108.434 8.879 -4.342 1.00 0.00 H new ATOM 0 HE1 HIS A 441 104.717 9.872 -2.553 1.00 0.00 H new ATOM 0 HE2 HIS A 441 106.181 7.969 -3.396 1.00 0.00 H new ATOM 92 N HIS A 442 111.923 10.880 -5.148 1.00 0.00 N ATOM 93 CA HIS A 442 112.883 11.035 -6.235 1.00 0.00 C ATOM 94 C HIS A 442 112.171 11.239 -7.569 1.00 0.00 C ATOM 95 O HIS A 442 110.982 10.947 -7.702 1.00 0.00 O ATOM 96 CB HIS A 442 113.795 9.809 -6.314 1.00 0.00 C ATOM 97 CG HIS A 442 113.095 8.524 -5.995 1.00 0.00 C ATOM 98 ND1 HIS A 442 112.026 8.048 -6.724 1.00 0.00 N ATOM 99 CD2 HIS A 442 113.314 7.614 -5.015 1.00 0.00 C ATOM 100 CE1 HIS A 442 111.617 6.903 -6.208 1.00 0.00 C ATOM 101 NE2 HIS A 442 112.382 6.617 -5.170 1.00 0.00 N ATOM 0 H HIS A 442 112.070 10.051 -4.573 1.00 0.00 H new ATOM 0 HA HIS A 442 113.487 11.919 -6.029 1.00 0.00 H new ATOM 0 HB2 HIS A 442 114.218 9.744 -7.317 1.00 0.00 H new ATOM 0 HB3 HIS A 442 114.629 9.941 -5.624 1.00 0.00 H new ATOM 0 HD2 HIS A 442 114.079 7.663 -4.254 1.00 0.00 H new ATOM 0 HE1 HIS A 442 110.797 6.303 -6.573 1.00 0.00 H new ATOM 0 HE2 HIS A 442 112.295 5.790 -4.579 1.00 0.00 H new ATOM 110 N HIS A 443 112.909 11.742 -8.554 1.00 0.00 N ATOM 111 CA HIS A 443 112.353 11.987 -9.881 1.00 0.00 C ATOM 112 C HIS A 443 112.677 10.831 -10.823 1.00 0.00 C ATOM 113 O HIS A 443 112.854 9.694 -10.386 1.00 0.00 O ATOM 114 CB HIS A 443 112.902 13.297 -10.449 1.00 0.00 C ATOM 115 CG HIS A 443 111.850 14.185 -11.038 1.00 0.00 C ATOM 116 ND1 HIS A 443 112.143 15.346 -11.725 1.00 0.00 N ATOM 117 CD2 HIS A 443 110.499 14.080 -11.040 1.00 0.00 C ATOM 118 CE1 HIS A 443 111.018 15.917 -12.120 1.00 0.00 C ATOM 119 NE2 HIS A 443 110.008 15.168 -11.719 1.00 0.00 N ATOM 0 H HIS A 443 113.894 11.988 -8.458 1.00 0.00 H new ATOM 0 HA HIS A 443 111.270 12.066 -9.791 1.00 0.00 H new ATOM 0 HB2 HIS A 443 113.419 13.838 -9.657 1.00 0.00 H new ATOM 0 HB3 HIS A 443 113.643 13.068 -11.215 1.00 0.00 H new ATOM 0 HD2 HIS A 443 109.917 13.288 -10.591 1.00 0.00 H new ATOM 0 HE1 HIS A 443 110.939 16.839 -12.676 1.00 0.00 H new ATOM 0 HE2 HIS A 443 109.021 15.365 -11.886 1.00 0.00 H new ATOM 128 N SER A 444 112.752 11.129 -12.116 1.00 0.00 N ATOM 129 CA SER A 444 113.055 10.112 -13.117 1.00 0.00 C ATOM 130 C SER A 444 112.090 8.937 -13.005 1.00 0.00 C ATOM 131 O SER A 444 112.151 8.159 -12.053 1.00 0.00 O ATOM 132 CB SER A 444 114.495 9.622 -12.959 1.00 0.00 C ATOM 133 OG SER A 444 115.131 10.249 -11.857 1.00 0.00 O ATOM 0 H SER A 444 112.607 12.065 -12.495 1.00 0.00 H new ATOM 0 HA SER A 444 112.940 10.562 -14.103 1.00 0.00 H new ATOM 0 HB2 SER A 444 114.501 8.541 -12.819 1.00 0.00 H new ATOM 0 HB3 SER A 444 115.055 9.829 -13.871 1.00 0.00 H new ATOM 0 HG SER A 444 116.050 9.917 -11.777 1.00 0.00 H new ATOM 139 N ASN A 445 111.199 8.814 -13.983 1.00 0.00 N ATOM 140 CA ASN A 445 110.221 7.732 -13.994 1.00 0.00 C ATOM 141 C ASN A 445 110.473 6.784 -15.161 1.00 0.00 C ATOM 142 O ASN A 445 111.332 7.038 -16.005 1.00 0.00 O ATOM 143 CB ASN A 445 108.799 8.293 -14.076 1.00 0.00 C ATOM 144 CG ASN A 445 108.770 9.756 -14.477 1.00 0.00 C ATOM 145 OD1 ASN A 445 109.527 10.188 -15.345 1.00 0.00 O ATOM 146 ND2 ASN A 445 107.893 10.526 -13.843 1.00 0.00 N ATOM 0 H ASN A 445 111.134 9.450 -14.778 1.00 0.00 H new ATOM 0 HA ASN A 445 110.328 7.174 -13.064 1.00 0.00 H new ATOM 0 HB2 ASN A 445 108.224 7.711 -14.797 1.00 0.00 H new ATOM 0 HB3 ASN A 445 108.310 8.176 -13.109 1.00 0.00 H new ATOM 0 HD21 ASN A 445 107.828 11.518 -14.070 1.00 0.00 H new ATOM 0 HD22 ASN A 445 107.284 10.125 -13.129 1.00 0.00 H new ATOM 153 N ALA A 446 109.720 5.691 -15.203 1.00 0.00 N ATOM 154 CA ALA A 446 109.862 4.706 -16.267 1.00 0.00 C ATOM 155 C ALA A 446 111.210 3.999 -16.184 1.00 0.00 C ATOM 156 O ALA A 446 111.580 3.244 -17.082 1.00 0.00 O ATOM 157 CB ALA A 446 109.693 5.355 -17.633 1.00 0.00 C ATOM 0 H ALA A 446 109.005 5.465 -14.512 1.00 0.00 H new ATOM 0 HA ALA A 446 109.076 3.963 -16.136 1.00 0.00 H new ATOM 0 HB1 ALA A 446 109.803 4.600 -18.411 1.00 0.00 H new ATOM 0 HB2 ALA A 446 108.703 5.805 -17.702 1.00 0.00 H new ATOM 0 HB3 ALA A 446 110.452 6.126 -17.766 1.00 0.00 H new ATOM 163 N THR A 447 111.944 4.248 -15.102 1.00 0.00 N ATOM 164 CA THR A 447 113.251 3.632 -14.907 1.00 0.00 C ATOM 165 C THR A 447 113.781 3.900 -13.502 1.00 0.00 C ATOM 166 O THR A 447 114.647 4.752 -13.308 1.00 0.00 O ATOM 167 CB THR A 447 114.274 4.147 -15.938 1.00 0.00 C ATOM 168 OG1 THR A 447 113.716 4.184 -17.257 1.00 0.00 O ATOM 169 CG2 THR A 447 115.511 3.262 -15.963 1.00 0.00 C ATOM 0 H THR A 447 111.655 4.872 -14.348 1.00 0.00 H new ATOM 0 HA THR A 447 113.119 2.559 -15.043 1.00 0.00 H new ATOM 0 HB THR A 447 114.547 5.158 -15.634 1.00 0.00 H new ATOM 0 HG1 THR A 447 113.146 3.399 -17.393 1.00 0.00 H new ATOM 0 HG21 THR A 447 116.218 3.646 -16.698 1.00 0.00 H new ATOM 0 HG22 THR A 447 115.977 3.260 -14.978 1.00 0.00 H new ATOM 0 HG23 THR A 447 115.225 2.245 -16.231 1.00 0.00 H new ATOM 177 N GLY A 448 113.256 3.166 -12.525 1.00 0.00 N ATOM 178 CA GLY A 448 113.690 3.338 -11.151 1.00 0.00 C ATOM 179 C GLY A 448 113.667 2.039 -10.370 1.00 0.00 C ATOM 180 O GLY A 448 112.841 1.863 -9.473 1.00 0.00 O ATOM 0 H GLY A 448 112.537 2.455 -12.661 1.00 0.00 H new ATOM 0 HA2 GLY A 448 114.700 3.747 -11.141 1.00 0.00 H new ATOM 0 HA3 GLY A 448 113.046 4.066 -10.658 1.00 0.00 H new ATOM 184 N PRO A 449 114.570 1.104 -10.697 1.00 0.00 N ATOM 185 CA PRO A 449 114.649 -0.192 -10.023 1.00 0.00 C ATOM 186 C PRO A 449 115.352 -0.105 -8.672 1.00 0.00 C ATOM 187 O PRO A 449 116.442 -0.648 -8.493 1.00 0.00 O ATOM 188 CB PRO A 449 115.467 -1.035 -10.998 1.00 0.00 C ATOM 189 CG PRO A 449 116.353 -0.055 -11.690 1.00 0.00 C ATOM 190 CD PRO A 449 115.583 1.238 -11.761 1.00 0.00 C ATOM 0 HA PRO A 449 113.663 -0.600 -9.800 1.00 0.00 H new ATOM 0 HB2 PRO A 449 116.048 -1.794 -10.475 1.00 0.00 H new ATOM 0 HB3 PRO A 449 114.824 -1.558 -11.706 1.00 0.00 H new ATOM 0 HG2 PRO A 449 117.286 0.078 -11.143 1.00 0.00 H new ATOM 0 HG3 PRO A 449 116.616 -0.406 -12.688 1.00 0.00 H new ATOM 0 HD2 PRO A 449 116.230 2.099 -11.591 1.00 0.00 H new ATOM 0 HD3 PRO A 449 115.121 1.375 -12.739 1.00 0.00 H new ATOM 198 N GLN A 450 114.719 0.578 -7.723 1.00 0.00 N ATOM 199 CA GLN A 450 115.286 0.732 -6.387 1.00 0.00 C ATOM 200 C GLN A 450 114.191 0.977 -5.354 1.00 0.00 C ATOM 201 O GLN A 450 114.401 1.679 -4.365 1.00 0.00 O ATOM 202 CB GLN A 450 116.293 1.884 -6.365 1.00 0.00 C ATOM 203 CG GLN A 450 117.305 1.786 -5.235 1.00 0.00 C ATOM 204 CD GLN A 450 117.790 0.368 -5.008 1.00 0.00 C ATOM 205 OE1 GLN A 450 118.464 -0.214 -5.859 1.00 0.00 O ATOM 206 NE2 GLN A 450 117.448 -0.198 -3.857 1.00 0.00 N ATOM 0 H GLN A 450 113.815 1.033 -7.854 1.00 0.00 H new ATOM 0 HA GLN A 450 115.800 -0.194 -6.131 1.00 0.00 H new ATOM 0 HB2 GLN A 450 116.824 1.909 -7.316 1.00 0.00 H new ATOM 0 HB3 GLN A 450 115.752 2.826 -6.277 1.00 0.00 H new ATOM 0 HG2 GLN A 450 118.158 2.426 -5.460 1.00 0.00 H new ATOM 0 HG3 GLN A 450 116.856 2.164 -4.316 1.00 0.00 H new ATOM 0 HE21 GLN A 450 116.888 0.321 -3.180 1.00 0.00 H new ATOM 0 HE22 GLN A 450 117.745 -1.152 -3.650 1.00 0.00 H new ATOM 215 N PHE A 451 113.021 0.393 -5.590 1.00 0.00 N ATOM 216 CA PHE A 451 111.891 0.544 -4.681 1.00 0.00 C ATOM 217 C PHE A 451 112.068 -0.332 -3.447 1.00 0.00 C ATOM 218 O PHE A 451 112.421 -1.505 -3.556 1.00 0.00 O ATOM 219 CB PHE A 451 110.587 0.179 -5.391 1.00 0.00 C ATOM 220 CG PHE A 451 110.446 -1.292 -5.659 1.00 0.00 C ATOM 221 CD1 PHE A 451 110.703 -1.808 -6.919 1.00 0.00 C ATOM 222 CD2 PHE A 451 110.058 -2.159 -4.649 1.00 0.00 C ATOM 223 CE1 PHE A 451 110.575 -3.162 -7.169 1.00 0.00 C ATOM 224 CE2 PHE A 451 109.929 -3.514 -4.892 1.00 0.00 C ATOM 225 CZ PHE A 451 110.187 -4.015 -6.153 1.00 0.00 C ATOM 0 H PHE A 451 112.831 -0.190 -6.405 1.00 0.00 H new ATOM 0 HA PHE A 451 111.847 1.586 -4.365 1.00 0.00 H new ATOM 0 HB2 PHE A 451 109.746 0.513 -4.784 1.00 0.00 H new ATOM 0 HB3 PHE A 451 110.532 0.720 -6.336 1.00 0.00 H new ATOM 0 HD1 PHE A 451 111.007 -1.145 -7.715 1.00 0.00 H new ATOM 0 HD2 PHE A 451 109.854 -1.772 -3.662 1.00 0.00 H new ATOM 0 HE1 PHE A 451 110.778 -3.552 -8.156 1.00 0.00 H new ATOM 0 HE2 PHE A 451 109.627 -4.180 -4.097 1.00 0.00 H new ATOM 0 HZ PHE A 451 110.086 -5.073 -6.345 1.00 0.00 H new ATOM 235 N VAL A 452 111.817 0.241 -2.276 1.00 0.00 N ATOM 236 CA VAL A 452 111.946 -0.497 -1.027 1.00 0.00 C ATOM 237 C VAL A 452 111.257 -1.857 -1.131 1.00 0.00 C ATOM 238 O VAL A 452 110.069 -1.995 -0.846 1.00 0.00 O ATOM 239 CB VAL A 452 111.361 0.297 0.153 1.00 0.00 C ATOM 240 CG1 VAL A 452 109.898 0.626 -0.096 1.00 0.00 C ATOM 241 CG2 VAL A 452 111.533 -0.473 1.450 1.00 0.00 C ATOM 0 H VAL A 452 111.524 1.212 -2.166 1.00 0.00 H new ATOM 0 HA VAL A 452 113.009 -0.651 -0.844 1.00 0.00 H new ATOM 0 HB VAL A 452 111.907 1.236 0.242 1.00 0.00 H new ATOM 0 HG11 VAL A 452 109.502 1.188 0.750 1.00 0.00 H new ATOM 0 HG12 VAL A 452 109.809 1.224 -1.003 1.00 0.00 H new ATOM 0 HG13 VAL A 452 109.332 -0.298 -0.214 1.00 0.00 H new ATOM 0 HG21 VAL A 452 111.113 0.104 2.274 1.00 0.00 H new ATOM 0 HG22 VAL A 452 111.016 -1.430 1.376 1.00 0.00 H new ATOM 0 HG23 VAL A 452 112.594 -0.647 1.632 1.00 0.00 H new ATOM 251 N SER A 453 112.022 -2.849 -1.569 1.00 0.00 N ATOM 252 CA SER A 453 111.528 -4.210 -1.754 1.00 0.00 C ATOM 253 C SER A 453 111.242 -4.930 -0.435 1.00 0.00 C ATOM 254 O SER A 453 111.961 -4.765 0.551 1.00 0.00 O ATOM 255 CB SER A 453 112.531 -5.023 -2.574 1.00 0.00 C ATOM 256 OG SER A 453 113.202 -5.973 -1.764 1.00 0.00 O ATOM 0 H SER A 453 113.007 -2.733 -1.807 1.00 0.00 H new ATOM 0 HA SER A 453 110.580 -4.128 -2.286 1.00 0.00 H new ATOM 0 HB2 SER A 453 112.013 -5.534 -3.385 1.00 0.00 H new ATOM 0 HB3 SER A 453 113.258 -4.353 -3.032 1.00 0.00 H new ATOM 0 HG SER A 453 112.890 -6.874 -1.990 1.00 0.00 H new ATOM 262 N GLY A 454 110.200 -5.761 -0.452 1.00 0.00 N ATOM 263 CA GLY A 454 109.827 -6.550 0.713 1.00 0.00 C ATOM 264 C GLY A 454 109.336 -5.758 1.914 1.00 0.00 C ATOM 265 O GLY A 454 109.524 -6.187 3.052 1.00 0.00 O ATOM 0 H GLY A 454 109.600 -5.903 -1.265 1.00 0.00 H new ATOM 0 HA2 GLY A 454 109.046 -7.251 0.419 1.00 0.00 H new ATOM 0 HA3 GLY A 454 110.689 -7.143 1.019 1.00 0.00 H new ATOM 269 N VAL A 455 108.685 -4.626 1.680 1.00 0.00 N ATOM 270 CA VAL A 455 108.157 -3.829 2.777 1.00 0.00 C ATOM 271 C VAL A 455 106.648 -3.645 2.641 1.00 0.00 C ATOM 272 O VAL A 455 106.027 -2.927 3.423 1.00 0.00 O ATOM 273 CB VAL A 455 108.834 -2.454 2.853 1.00 0.00 C ATOM 274 CG1 VAL A 455 110.336 -2.617 3.035 1.00 0.00 C ATOM 275 CG2 VAL A 455 108.519 -1.638 1.611 1.00 0.00 C ATOM 0 H VAL A 455 108.512 -4.243 0.751 1.00 0.00 H new ATOM 0 HA VAL A 455 108.371 -4.373 3.697 1.00 0.00 H new ATOM 0 HB VAL A 455 108.443 -1.916 3.716 1.00 0.00 H new ATOM 0 HG11 VAL A 455 110.805 -1.634 3.087 1.00 0.00 H new ATOM 0 HG12 VAL A 455 110.534 -3.163 3.957 1.00 0.00 H new ATOM 0 HG13 VAL A 455 110.747 -3.170 2.191 1.00 0.00 H new ATOM 0 HG21 VAL A 455 109.007 -0.666 1.681 1.00 0.00 H new ATOM 0 HG22 VAL A 455 108.883 -2.164 0.728 1.00 0.00 H new ATOM 0 HG23 VAL A 455 107.441 -1.498 1.531 1.00 0.00 H new ATOM 285 N ILE A 456 106.061 -4.311 1.648 1.00 0.00 N ATOM 286 CA ILE A 456 104.624 -4.232 1.419 1.00 0.00 C ATOM 287 C ILE A 456 103.898 -5.323 2.193 1.00 0.00 C ATOM 288 O ILE A 456 103.778 -6.455 1.724 1.00 0.00 O ATOM 289 CB ILE A 456 104.276 -4.370 -0.073 1.00 0.00 C ATOM 290 CG1 ILE A 456 104.792 -3.165 -0.853 1.00 0.00 C ATOM 291 CG2 ILE A 456 102.772 -4.516 -0.250 1.00 0.00 C ATOM 292 CD1 ILE A 456 104.703 -1.865 -0.087 1.00 0.00 C ATOM 0 H ILE A 456 106.560 -4.910 0.991 1.00 0.00 H new ATOM 0 HA ILE A 456 104.301 -3.250 1.766 1.00 0.00 H new ATOM 0 HB ILE A 456 104.760 -5.265 -0.464 1.00 0.00 H new ATOM 0 HG12 ILE A 456 105.830 -3.342 -1.133 1.00 0.00 H new ATOM 0 HG13 ILE A 456 104.224 -3.071 -1.778 1.00 0.00 H new ATOM 0 HG21 ILE A 456 102.538 -4.613 -1.310 1.00 0.00 H new ATOM 0 HG22 ILE A 456 102.428 -5.404 0.280 1.00 0.00 H new ATOM 0 HG23 ILE A 456 102.271 -3.636 0.153 1.00 0.00 H new ATOM 0 HD11 ILE A 456 105.087 -1.052 -0.703 1.00 0.00 H new ATOM 0 HD12 ILE A 456 103.663 -1.665 0.170 1.00 0.00 H new ATOM 0 HD13 ILE A 456 105.295 -1.939 0.826 1.00 0.00 H new ATOM 304 N VAL A 457 103.437 -4.985 3.388 1.00 0.00 N ATOM 305 CA VAL A 457 102.743 -5.948 4.233 1.00 0.00 C ATOM 306 C VAL A 457 101.236 -5.930 4.007 1.00 0.00 C ATOM 307 O VAL A 457 100.569 -4.917 4.232 1.00 0.00 O ATOM 308 CB VAL A 457 103.028 -5.697 5.725 1.00 0.00 C ATOM 309 CG1 VAL A 457 102.264 -6.689 6.587 1.00 0.00 C ATOM 310 CG2 VAL A 457 104.521 -5.774 6.005 1.00 0.00 C ATOM 0 H VAL A 457 103.530 -4.054 3.794 1.00 0.00 H new ATOM 0 HA VAL A 457 103.127 -6.928 3.951 1.00 0.00 H new ATOM 0 HB VAL A 457 102.687 -4.693 5.978 1.00 0.00 H new ATOM 0 HG11 VAL A 457 102.477 -6.497 7.639 1.00 0.00 H new ATOM 0 HG12 VAL A 457 101.195 -6.579 6.408 1.00 0.00 H new ATOM 0 HG13 VAL A 457 102.572 -7.704 6.334 1.00 0.00 H new ATOM 0 HG21 VAL A 457 104.702 -5.594 7.065 1.00 0.00 H new ATOM 0 HG22 VAL A 457 104.891 -6.764 5.737 1.00 0.00 H new ATOM 0 HG23 VAL A 457 105.041 -5.020 5.415 1.00 0.00 H new ATOM 320 N LYS A 458 100.710 -7.070 3.568 1.00 0.00 N ATOM 321 CA LYS A 458 99.282 -7.217 3.313 1.00 0.00 C ATOM 322 C LYS A 458 98.526 -7.468 4.614 1.00 0.00 C ATOM 323 O LYS A 458 98.813 -8.425 5.335 1.00 0.00 O ATOM 324 CB LYS A 458 99.032 -8.366 2.337 1.00 0.00 C ATOM 325 CG LYS A 458 97.598 -8.868 2.342 1.00 0.00 C ATOM 326 CD LYS A 458 97.455 -10.153 1.545 1.00 0.00 C ATOM 327 CE LYS A 458 96.070 -10.277 0.931 1.00 0.00 C ATOM 328 NZ LYS A 458 96.037 -11.291 -0.159 1.00 0.00 N ATOM 0 H LYS A 458 101.257 -7.910 3.381 1.00 0.00 H new ATOM 0 HA LYS A 458 98.918 -6.290 2.871 1.00 0.00 H new ATOM 0 HB2 LYS A 458 99.290 -8.039 1.330 1.00 0.00 H new ATOM 0 HB3 LYS A 458 99.698 -9.193 2.584 1.00 0.00 H new ATOM 0 HG2 LYS A 458 97.274 -9.038 3.369 1.00 0.00 H new ATOM 0 HG3 LYS A 458 96.943 -8.104 1.923 1.00 0.00 H new ATOM 0 HD2 LYS A 458 98.207 -10.179 0.757 1.00 0.00 H new ATOM 0 HD3 LYS A 458 97.644 -11.008 2.194 1.00 0.00 H new ATOM 0 HE2 LYS A 458 95.353 -10.551 1.705 1.00 0.00 H new ATOM 0 HE3 LYS A 458 95.759 -9.309 0.537 1.00 0.00 H new ATOM 0 HZ1 LYS A 458 95.076 -11.346 -0.553 1.00 0.00 H new ATOM 0 HZ2 LYS A 458 96.703 -11.016 -0.909 1.00 0.00 H new ATOM 0 HZ3 LYS A 458 96.309 -12.220 0.222 1.00 0.00 H new ATOM 342 N ILE A 459 97.547 -6.617 4.899 1.00 0.00 N ATOM 343 CA ILE A 459 96.735 -6.762 6.101 1.00 0.00 C ATOM 344 C ILE A 459 95.285 -7.091 5.755 1.00 0.00 C ATOM 345 O ILE A 459 94.632 -6.356 5.015 1.00 0.00 O ATOM 346 CB ILE A 459 96.773 -5.498 6.980 1.00 0.00 C ATOM 347 CG1 ILE A 459 98.220 -5.063 7.225 1.00 0.00 C ATOM 348 CG2 ILE A 459 96.061 -5.756 8.302 1.00 0.00 C ATOM 349 CD1 ILE A 459 98.347 -3.913 8.201 1.00 0.00 C ATOM 0 H ILE A 459 97.296 -5.820 4.314 1.00 0.00 H new ATOM 0 HA ILE A 459 97.167 -7.589 6.665 1.00 0.00 H new ATOM 0 HB ILE A 459 96.256 -4.693 6.459 1.00 0.00 H new ATOM 0 HG12 ILE A 459 98.788 -5.914 7.602 1.00 0.00 H new ATOM 0 HG13 ILE A 459 98.670 -4.775 6.275 1.00 0.00 H new ATOM 0 HG21 ILE A 459 96.094 -4.855 8.915 1.00 0.00 H new ATOM 0 HG22 ILE A 459 95.023 -6.026 8.109 1.00 0.00 H new ATOM 0 HG23 ILE A 459 96.556 -6.572 8.829 1.00 0.00 H new ATOM 0 HD11 ILE A 459 99.399 -3.657 8.327 1.00 0.00 H new ATOM 0 HD12 ILE A 459 97.807 -3.048 7.816 1.00 0.00 H new ATOM 0 HD13 ILE A 459 97.927 -4.205 9.163 1.00 0.00 H new ATOM 361 N ILE A 460 94.780 -8.180 6.319 1.00 0.00 N ATOM 362 CA ILE A 460 93.398 -8.581 6.095 1.00 0.00 C ATOM 363 C ILE A 460 92.717 -8.926 7.413 1.00 0.00 C ATOM 364 O ILE A 460 93.315 -9.561 8.283 1.00 0.00 O ATOM 365 CB ILE A 460 93.280 -9.764 5.102 1.00 0.00 C ATOM 366 CG1 ILE A 460 91.908 -9.742 4.424 1.00 0.00 C ATOM 367 CG2 ILE A 460 93.518 -11.108 5.784 1.00 0.00 C ATOM 368 CD1 ILE A 460 90.839 -10.493 5.189 1.00 0.00 C ATOM 0 H ILE A 460 95.306 -8.801 6.934 1.00 0.00 H new ATOM 0 HA ILE A 460 92.890 -7.728 5.644 1.00 0.00 H new ATOM 0 HB ILE A 460 94.057 -9.644 4.347 1.00 0.00 H new ATOM 0 HG12 ILE A 460 91.592 -8.707 4.297 1.00 0.00 H new ATOM 0 HG13 ILE A 460 91.999 -10.172 3.427 1.00 0.00 H new ATOM 0 HG21 ILE A 460 93.426 -11.909 5.051 1.00 0.00 H new ATOM 0 HG22 ILE A 460 94.519 -11.125 6.216 1.00 0.00 H new ATOM 0 HG23 ILE A 460 92.780 -11.251 6.573 1.00 0.00 H new ATOM 0 HD11 ILE A 460 89.895 -10.434 4.648 1.00 0.00 H new ATOM 0 HD12 ILE A 460 91.132 -11.538 5.293 1.00 0.00 H new ATOM 0 HD13 ILE A 460 90.719 -10.049 6.177 1.00 0.00 H new ATOM 380 N SER A 461 91.472 -8.497 7.566 1.00 0.00 N ATOM 381 CA SER A 461 90.725 -8.762 8.788 1.00 0.00 C ATOM 382 C SER A 461 89.399 -9.443 8.480 1.00 0.00 C ATOM 383 O SER A 461 89.197 -9.971 7.386 1.00 0.00 O ATOM 384 CB SER A 461 90.481 -7.462 9.554 1.00 0.00 C ATOM 385 OG SER A 461 89.649 -7.679 10.681 1.00 0.00 O ATOM 0 H SER A 461 90.959 -7.966 6.862 1.00 0.00 H new ATOM 0 HA SER A 461 91.319 -9.433 9.408 1.00 0.00 H new ATOM 0 HB2 SER A 461 91.434 -7.043 9.878 1.00 0.00 H new ATOM 0 HB3 SER A 461 90.019 -6.729 8.893 1.00 0.00 H new ATOM 0 HG SER A 461 90.061 -8.347 11.268 1.00 0.00 H new ATOM 391 N THR A 462 88.501 -9.430 9.455 1.00 0.00 N ATOM 392 CA THR A 462 87.192 -10.052 9.297 1.00 0.00 C ATOM 393 C THR A 462 86.077 -9.135 9.789 1.00 0.00 C ATOM 394 O THR A 462 84.907 -9.517 9.799 1.00 0.00 O ATOM 395 CB THR A 462 87.111 -11.387 10.061 1.00 0.00 C ATOM 396 OG1 THR A 462 87.518 -11.232 11.426 1.00 0.00 O ATOM 397 CG2 THR A 462 87.998 -12.439 9.411 1.00 0.00 C ATOM 0 H THR A 462 88.654 -8.995 10.365 1.00 0.00 H new ATOM 0 HA THR A 462 87.061 -10.237 8.231 1.00 0.00 H new ATOM 0 HB THR A 462 86.070 -11.708 10.028 1.00 0.00 H new ATOM 0 HG1 THR A 462 87.455 -12.095 11.886 1.00 0.00 H new ATOM 0 HG21 THR A 462 87.924 -13.373 9.969 1.00 0.00 H new ATOM 0 HG22 THR A 462 87.674 -12.603 8.383 1.00 0.00 H new ATOM 0 HG23 THR A 462 89.032 -12.096 9.415 1.00 0.00 H new ATOM 405 N GLU A 463 86.447 -7.925 10.199 1.00 0.00 N ATOM 406 CA GLU A 463 85.477 -6.954 10.695 1.00 0.00 C ATOM 407 C GLU A 463 86.160 -5.907 11.571 1.00 0.00 C ATOM 408 O GLU A 463 85.926 -4.708 11.420 1.00 0.00 O ATOM 409 CB GLU A 463 84.374 -7.664 11.487 1.00 0.00 C ATOM 410 CG GLU A 463 83.680 -6.775 12.507 1.00 0.00 C ATOM 411 CD GLU A 463 82.247 -7.193 12.767 1.00 0.00 C ATOM 412 OE1 GLU A 463 81.443 -7.187 11.812 1.00 0.00 O ATOM 413 OE2 GLU A 463 81.927 -7.529 13.928 1.00 0.00 O ATOM 0 H GLU A 463 87.412 -7.594 10.197 1.00 0.00 H new ATOM 0 HA GLU A 463 85.030 -6.449 9.839 1.00 0.00 H new ATOM 0 HB2 GLU A 463 83.630 -8.050 10.790 1.00 0.00 H new ATOM 0 HB3 GLU A 463 84.805 -8.523 12.001 1.00 0.00 H new ATOM 0 HG2 GLU A 463 84.237 -6.800 13.444 1.00 0.00 H new ATOM 0 HG3 GLU A 463 83.695 -5.744 12.154 1.00 0.00 H new ATOM 420 N PRO A 464 87.011 -6.356 12.505 1.00 0.00 N ATOM 421 CA PRO A 464 87.731 -5.467 13.420 1.00 0.00 C ATOM 422 C PRO A 464 88.342 -4.259 12.713 1.00 0.00 C ATOM 423 O PRO A 464 88.367 -3.158 13.265 1.00 0.00 O ATOM 424 CB PRO A 464 88.823 -6.372 13.988 1.00 0.00 C ATOM 425 CG PRO A 464 88.226 -7.737 13.958 1.00 0.00 C ATOM 426 CD PRO A 464 87.333 -7.776 12.745 1.00 0.00 C ATOM 0 HA PRO A 464 87.073 -5.036 14.175 1.00 0.00 H new ATOM 0 HB2 PRO A 464 89.732 -6.323 13.388 1.00 0.00 H new ATOM 0 HB3 PRO A 464 89.094 -6.079 15.002 1.00 0.00 H new ATOM 0 HG2 PRO A 464 89.002 -8.500 13.896 1.00 0.00 H new ATOM 0 HG3 PRO A 464 87.658 -7.934 14.867 1.00 0.00 H new ATOM 0 HD2 PRO A 464 87.839 -8.223 11.889 1.00 0.00 H new ATOM 0 HD3 PRO A 464 86.435 -8.366 12.927 1.00 0.00 H new ATOM 434 N LEU A 465 88.832 -4.466 11.494 1.00 0.00 N ATOM 435 CA LEU A 465 89.439 -3.384 10.726 1.00 0.00 C ATOM 436 C LEU A 465 88.688 -2.075 10.951 1.00 0.00 C ATOM 437 O LEU A 465 87.636 -1.835 10.358 1.00 0.00 O ATOM 438 CB LEU A 465 89.457 -3.732 9.236 1.00 0.00 C ATOM 439 CG LEU A 465 90.820 -3.581 8.557 1.00 0.00 C ATOM 440 CD1 LEU A 465 91.076 -4.737 7.602 1.00 0.00 C ATOM 441 CD2 LEU A 465 90.904 -2.251 7.824 1.00 0.00 C ATOM 0 H LEU A 465 88.821 -5.368 11.019 1.00 0.00 H new ATOM 0 HA LEU A 465 90.466 -3.257 11.069 1.00 0.00 H new ATOM 0 HB2 LEU A 465 89.118 -4.761 9.114 1.00 0.00 H new ATOM 0 HB3 LEU A 465 88.738 -3.096 8.720 1.00 0.00 H new ATOM 0 HG LEU A 465 91.591 -3.599 9.327 1.00 0.00 H new ATOM 0 HD11 LEU A 465 92.050 -4.610 7.130 1.00 0.00 H new ATOM 0 HD12 LEU A 465 91.060 -5.676 8.155 1.00 0.00 H new ATOM 0 HD13 LEU A 465 90.301 -4.754 6.836 1.00 0.00 H new ATOM 0 HD21 LEU A 465 91.880 -2.160 7.347 1.00 0.00 H new ATOM 0 HD22 LEU A 465 90.123 -2.204 7.065 1.00 0.00 H new ATOM 0 HD23 LEU A 465 90.770 -1.435 8.534 1.00 0.00 H new ATOM 453 N PRO A 466 89.227 -1.214 11.826 1.00 0.00 N ATOM 454 CA PRO A 466 88.616 0.081 12.155 1.00 0.00 C ATOM 455 C PRO A 466 88.763 1.112 11.038 1.00 0.00 C ATOM 456 O PRO A 466 87.827 1.852 10.737 1.00 0.00 O ATOM 457 CB PRO A 466 89.399 0.527 13.389 1.00 0.00 C ATOM 458 CG PRO A 466 90.732 -0.120 13.236 1.00 0.00 C ATOM 459 CD PRO A 466 90.475 -1.443 12.573 1.00 0.00 C ATOM 0 HA PRO A 466 87.541 -0.009 12.310 1.00 0.00 H new ATOM 0 HB2 PRO A 466 89.487 1.613 13.433 1.00 0.00 H new ATOM 0 HB3 PRO A 466 88.906 0.210 14.308 1.00 0.00 H new ATOM 0 HG2 PRO A 466 91.398 0.496 12.632 1.00 0.00 H new ATOM 0 HG3 PRO A 466 91.214 -0.256 14.204 1.00 0.00 H new ATOM 0 HD2 PRO A 466 91.293 -1.726 11.911 1.00 0.00 H new ATOM 0 HD3 PRO A 466 90.365 -2.244 13.304 1.00 0.00 H new ATOM 467 N GLY A 467 89.945 1.158 10.433 1.00 0.00 N ATOM 468 CA GLY A 467 90.192 2.107 9.362 1.00 0.00 C ATOM 469 C GLY A 467 91.666 2.423 9.199 1.00 0.00 C ATOM 470 O GLY A 467 92.501 1.915 9.945 1.00 0.00 O ATOM 0 H GLY A 467 90.736 0.556 10.664 1.00 0.00 H new ATOM 0 HA2 GLY A 467 89.804 1.704 8.426 1.00 0.00 H new ATOM 0 HA3 GLY A 467 89.646 3.028 9.563 1.00 0.00 H new ATOM 474 N ARG A 468 91.988 3.269 8.224 1.00 0.00 N ATOM 475 CA ARG A 468 93.371 3.652 7.975 1.00 0.00 C ATOM 476 C ARG A 468 93.974 4.361 9.185 1.00 0.00 C ATOM 477 O ARG A 468 95.131 4.136 9.532 1.00 0.00 O ATOM 478 CB ARG A 468 93.466 4.550 6.738 1.00 0.00 C ATOM 479 CG ARG A 468 93.051 5.991 6.990 1.00 0.00 C ATOM 480 CD ARG A 468 92.602 6.671 5.706 1.00 0.00 C ATOM 481 NE ARG A 468 91.158 6.576 5.513 1.00 0.00 N ATOM 482 CZ ARG A 468 90.551 6.814 4.355 1.00 0.00 C ATOM 483 NH1 ARG A 468 91.261 7.162 3.288 1.00 0.00 N ATOM 484 NH2 ARG A 468 89.233 6.705 4.261 1.00 0.00 N ATOM 0 H ARG A 468 91.310 3.701 7.596 1.00 0.00 H new ATOM 0 HA ARG A 468 93.941 2.740 7.795 1.00 0.00 H new ATOM 0 HB2 ARG A 468 94.492 4.537 6.369 1.00 0.00 H new ATOM 0 HB3 ARG A 468 92.838 4.134 5.950 1.00 0.00 H new ATOM 0 HG2 ARG A 468 92.241 6.016 7.719 1.00 0.00 H new ATOM 0 HG3 ARG A 468 93.886 6.542 7.422 1.00 0.00 H new ATOM 0 HD2 ARG A 468 92.896 7.720 5.729 1.00 0.00 H new ATOM 0 HD3 ARG A 468 93.112 6.216 4.857 1.00 0.00 H new ATOM 0 HE ARG A 468 90.582 6.312 6.312 1.00 0.00 H new ATOM 0 HH11 ARG A 468 92.275 7.247 3.356 1.00 0.00 H new ATOM 0 HH12 ARG A 468 90.792 7.344 2.401 1.00 0.00 H new ATOM 0 HH21 ARG A 468 88.684 6.438 5.078 1.00 0.00 H new ATOM 0 HH22 ARG A 468 88.768 6.888 3.372 1.00 0.00 H new ATOM 498 N LYS A 469 93.188 5.222 9.820 1.00 0.00 N ATOM 499 CA LYS A 469 93.655 5.963 10.988 1.00 0.00 C ATOM 500 C LYS A 469 94.010 5.018 12.132 1.00 0.00 C ATOM 501 O LYS A 469 95.055 5.160 12.771 1.00 0.00 O ATOM 502 CB LYS A 469 92.585 6.954 11.448 1.00 0.00 C ATOM 503 CG LYS A 469 91.188 6.355 11.499 1.00 0.00 C ATOM 504 CD LYS A 469 90.674 6.256 12.926 1.00 0.00 C ATOM 505 CE LYS A 469 89.524 7.221 13.171 1.00 0.00 C ATOM 506 NZ LYS A 469 88.388 6.564 13.875 1.00 0.00 N ATOM 0 H LYS A 469 92.226 5.425 9.548 1.00 0.00 H new ATOM 0 HA LYS A 469 94.553 6.510 10.702 1.00 0.00 H new ATOM 0 HB2 LYS A 469 92.848 7.328 12.437 1.00 0.00 H new ATOM 0 HB3 LYS A 469 92.580 7.811 10.774 1.00 0.00 H new ATOM 0 HG2 LYS A 469 90.507 6.967 10.908 1.00 0.00 H new ATOM 0 HG3 LYS A 469 91.200 5.364 11.046 1.00 0.00 H new ATOM 0 HD2 LYS A 469 90.344 5.236 13.125 1.00 0.00 H new ATOM 0 HD3 LYS A 469 91.485 6.470 13.622 1.00 0.00 H new ATOM 0 HE2 LYS A 469 89.878 8.065 13.763 1.00 0.00 H new ATOM 0 HE3 LYS A 469 89.178 7.622 12.219 1.00 0.00 H new ATOM 0 HZ1 LYS A 469 87.557 6.543 13.249 1.00 0.00 H new ATOM 0 HZ2 LYS A 469 88.654 5.592 14.131 1.00 0.00 H new ATOM 0 HZ3 LYS A 469 88.158 7.098 14.737 1.00 0.00 H new ATOM 520 N GLN A 470 93.136 4.050 12.386 1.00 0.00 N ATOM 521 CA GLN A 470 93.364 3.088 13.454 1.00 0.00 C ATOM 522 C GLN A 470 94.335 2.003 13.008 1.00 0.00 C ATOM 523 O GLN A 470 95.246 1.631 13.748 1.00 0.00 O ATOM 524 CB GLN A 470 92.044 2.461 13.904 1.00 0.00 C ATOM 525 CG GLN A 470 91.439 3.137 15.125 1.00 0.00 C ATOM 526 CD GLN A 470 89.923 3.102 15.123 1.00 0.00 C ATOM 527 OE1 GLN A 470 89.276 3.749 14.300 1.00 0.00 O ATOM 528 NE2 GLN A 470 89.349 2.342 16.049 1.00 0.00 N ATOM 0 H GLN A 470 92.268 3.912 11.869 1.00 0.00 H new ATOM 0 HA GLN A 470 93.804 3.620 14.298 1.00 0.00 H new ATOM 0 HB2 GLN A 470 91.330 2.506 13.082 1.00 0.00 H new ATOM 0 HB3 GLN A 470 92.208 1.407 14.126 1.00 0.00 H new ATOM 0 HG2 GLN A 470 91.808 2.648 16.026 1.00 0.00 H new ATOM 0 HG3 GLN A 470 91.774 4.173 15.165 1.00 0.00 H new ATOM 0 HE21 GLN A 470 89.925 1.823 16.711 1.00 0.00 H new ATOM 0 HE22 GLN A 470 88.332 2.278 16.098 1.00 0.00 H new ATOM 537 N VAL A 471 94.146 1.505 11.789 1.00 0.00 N ATOM 538 CA VAL A 471 95.023 0.474 11.256 1.00 0.00 C ATOM 539 C VAL A 471 96.451 0.993 11.165 1.00 0.00 C ATOM 540 O VAL A 471 97.400 0.311 11.549 1.00 0.00 O ATOM 541 CB VAL A 471 94.565 0.001 9.864 1.00 0.00 C ATOM 542 CG1 VAL A 471 95.635 -0.861 9.213 1.00 0.00 C ATOM 543 CG2 VAL A 471 93.247 -0.754 9.959 1.00 0.00 C ATOM 0 H VAL A 471 93.399 1.797 11.159 1.00 0.00 H new ATOM 0 HA VAL A 471 94.980 -0.375 11.939 1.00 0.00 H new ATOM 0 HB VAL A 471 94.408 0.880 9.238 1.00 0.00 H new ATOM 0 HG11 VAL A 471 95.293 -1.185 8.230 1.00 0.00 H new ATOM 0 HG12 VAL A 471 96.552 -0.282 9.105 1.00 0.00 H new ATOM 0 HG13 VAL A 471 95.828 -1.734 9.836 1.00 0.00 H new ATOM 0 HG21 VAL A 471 92.941 -1.079 8.965 1.00 0.00 H new ATOM 0 HG22 VAL A 471 93.372 -1.624 10.603 1.00 0.00 H new ATOM 0 HG23 VAL A 471 92.482 -0.100 10.378 1.00 0.00 H new ATOM 553 N ARG A 472 96.594 2.219 10.671 1.00 0.00 N ATOM 554 CA ARG A 472 97.904 2.844 10.552 1.00 0.00 C ATOM 555 C ARG A 472 98.516 3.039 11.931 1.00 0.00 C ATOM 556 O ARG A 472 99.704 2.794 12.132 1.00 0.00 O ATOM 557 CB ARG A 472 97.801 4.189 9.827 1.00 0.00 C ATOM 558 CG ARG A 472 97.264 5.311 10.696 1.00 0.00 C ATOM 559 CD ARG A 472 97.081 6.592 9.898 1.00 0.00 C ATOM 560 NE ARG A 472 98.279 7.427 9.925 1.00 0.00 N ATOM 561 CZ ARG A 472 98.633 8.173 10.968 1.00 0.00 C ATOM 562 NH1 ARG A 472 97.888 8.181 12.063 1.00 0.00 N ATOM 563 NH2 ARG A 472 99.735 8.910 10.913 1.00 0.00 N ATOM 0 H ARG A 472 95.819 2.798 10.347 1.00 0.00 H new ATOM 0 HA ARG A 472 98.547 2.187 9.966 1.00 0.00 H new ATOM 0 HB2 ARG A 472 98.787 4.469 9.457 1.00 0.00 H new ATOM 0 HB3 ARG A 472 97.155 4.074 8.957 1.00 0.00 H new ATOM 0 HG2 ARG A 472 96.310 5.012 11.131 1.00 0.00 H new ATOM 0 HG3 ARG A 472 97.949 5.491 11.524 1.00 0.00 H new ATOM 0 HD2 ARG A 472 96.834 6.344 8.866 1.00 0.00 H new ATOM 0 HD3 ARG A 472 96.238 7.153 10.301 1.00 0.00 H new ATOM 0 HE ARG A 472 98.877 7.439 9.099 1.00 0.00 H new ATOM 0 HH11 ARG A 472 97.041 7.614 12.108 1.00 0.00 H new ATOM 0 HH12 ARG A 472 98.161 8.754 12.862 1.00 0.00 H new ATOM 0 HH21 ARG A 472 100.311 8.905 10.071 1.00 0.00 H new ATOM 0 HH22 ARG A 472 100.006 9.482 11.713 1.00 0.00 H new ATOM 577 N ASP A 473 97.694 3.476 12.881 1.00 0.00 N ATOM 578 CA ASP A 473 98.159 3.693 14.244 1.00 0.00 C ATOM 579 C ASP A 473 98.595 2.375 14.875 1.00 0.00 C ATOM 580 O ASP A 473 99.545 2.333 15.656 1.00 0.00 O ATOM 581 CB ASP A 473 97.056 4.340 15.085 1.00 0.00 C ATOM 582 CG ASP A 473 97.104 5.854 15.028 1.00 0.00 C ATOM 583 OD1 ASP A 473 96.025 6.483 15.026 1.00 0.00 O ATOM 584 OD2 ASP A 473 98.222 6.412 14.987 1.00 0.00 O ATOM 0 H ASP A 473 96.707 3.686 12.731 1.00 0.00 H new ATOM 0 HA ASP A 473 99.017 4.365 14.213 1.00 0.00 H new ATOM 0 HB2 ASP A 473 96.084 3.996 14.732 1.00 0.00 H new ATOM 0 HB3 ASP A 473 97.153 4.014 16.121 1.00 0.00 H new ATOM 589 N THR A 474 97.894 1.300 14.527 1.00 0.00 N ATOM 590 CA THR A 474 98.210 -0.024 15.054 1.00 0.00 C ATOM 591 C THR A 474 99.556 -0.519 14.528 1.00 0.00 C ATOM 592 O THR A 474 100.470 -0.816 15.304 1.00 0.00 O ATOM 593 CB THR A 474 97.123 -1.055 14.684 1.00 0.00 C ATOM 594 OG1 THR A 474 96.520 -0.750 13.422 1.00 0.00 O ATOM 595 CG2 THR A 474 96.028 -1.102 15.737 1.00 0.00 C ATOM 0 H THR A 474 97.104 1.320 13.883 1.00 0.00 H new ATOM 0 HA THR A 474 98.256 0.074 16.139 1.00 0.00 H new ATOM 0 HB THR A 474 97.621 -2.023 14.626 1.00 0.00 H new ATOM 0 HG1 THR A 474 97.215 -0.487 12.783 1.00 0.00 H new ATOM 0 HG21 THR A 474 95.277 -1.837 15.448 1.00 0.00 H new ATOM 0 HG22 THR A 474 96.459 -1.382 16.698 1.00 0.00 H new ATOM 0 HG23 THR A 474 95.561 -0.120 15.821 1.00 0.00 H new ATOM 603 N LEU A 475 99.678 -0.592 13.206 1.00 0.00 N ATOM 604 CA LEU A 475 100.918 -1.042 12.586 1.00 0.00 C ATOM 605 C LEU A 475 102.047 -0.070 12.893 1.00 0.00 C ATOM 606 O LEU A 475 103.169 -0.477 13.195 1.00 0.00 O ATOM 607 CB LEU A 475 100.740 -1.176 11.070 1.00 0.00 C ATOM 608 CG LEU A 475 100.102 0.033 10.382 1.00 0.00 C ATOM 609 CD1 LEU A 475 101.173 0.957 9.823 1.00 0.00 C ATOM 610 CD2 LEU A 475 99.158 -0.420 9.277 1.00 0.00 C ATOM 0 H LEU A 475 98.938 -0.347 12.548 1.00 0.00 H new ATOM 0 HA LEU A 475 101.173 -2.019 12.997 1.00 0.00 H new ATOM 0 HB2 LEU A 475 101.716 -1.357 10.620 1.00 0.00 H new ATOM 0 HB3 LEU A 475 100.127 -2.055 10.868 1.00 0.00 H new ATOM 0 HG LEU A 475 99.525 0.586 11.123 1.00 0.00 H new ATOM 0 HD11 LEU A 475 100.700 1.811 9.338 1.00 0.00 H new ATOM 0 HD12 LEU A 475 101.810 1.308 10.635 1.00 0.00 H new ATOM 0 HD13 LEU A 475 101.777 0.415 9.096 1.00 0.00 H new ATOM 0 HD21 LEU A 475 98.713 0.452 8.798 1.00 0.00 H new ATOM 0 HD22 LEU A 475 99.714 -0.996 8.537 1.00 0.00 H new ATOM 0 HD23 LEU A 475 98.370 -1.041 9.703 1.00 0.00 H new ATOM 622 N ALA A 476 101.738 1.221 12.827 1.00 0.00 N ATOM 623 CA ALA A 476 102.720 2.256 13.112 1.00 0.00 C ATOM 624 C ALA A 476 103.078 2.264 14.593 1.00 0.00 C ATOM 625 O ALA A 476 104.168 2.688 14.976 1.00 0.00 O ATOM 626 CB ALA A 476 102.211 3.623 12.682 1.00 0.00 C ATOM 0 H ALA A 476 100.814 1.574 12.578 1.00 0.00 H new ATOM 0 HA ALA A 476 103.620 2.032 12.539 1.00 0.00 H new ATOM 0 HB1 ALA A 476 102.964 4.379 12.906 1.00 0.00 H new ATOM 0 HB2 ALA A 476 102.011 3.616 11.610 1.00 0.00 H new ATOM 0 HB3 ALA A 476 101.292 3.855 13.221 1.00 0.00 H new ATOM 632 N ALA A 477 102.154 1.785 15.424 1.00 0.00 N ATOM 633 CA ALA A 477 102.383 1.732 16.862 1.00 0.00 C ATOM 634 C ALA A 477 103.360 0.616 17.201 1.00 0.00 C ATOM 635 O ALA A 477 104.114 0.708 18.170 1.00 0.00 O ATOM 636 CB ALA A 477 101.076 1.541 17.617 1.00 0.00 C ATOM 0 H ALA A 477 101.245 1.430 15.126 1.00 0.00 H new ATOM 0 HA ALA A 477 102.816 2.683 17.172 1.00 0.00 H new ATOM 0 HB1 ALA A 477 101.276 1.505 18.688 1.00 0.00 H new ATOM 0 HB2 ALA A 477 100.406 2.373 17.401 1.00 0.00 H new ATOM 0 HB3 ALA A 477 100.608 0.608 17.304 1.00 0.00 H new ATOM 642 N ILE A 478 103.350 -0.433 16.385 1.00 0.00 N ATOM 643 CA ILE A 478 104.249 -1.561 16.588 1.00 0.00 C ATOM 644 C ILE A 478 105.633 -1.247 16.025 1.00 0.00 C ATOM 645 O ILE A 478 106.649 -1.705 16.549 1.00 0.00 O ATOM 646 CB ILE A 478 103.703 -2.842 15.922 1.00 0.00 C ATOM 647 CG1 ILE A 478 102.526 -3.395 16.727 1.00 0.00 C ATOM 648 CG2 ILE A 478 104.799 -3.891 15.793 1.00 0.00 C ATOM 649 CD1 ILE A 478 101.257 -3.547 15.917 1.00 0.00 C ATOM 0 H ILE A 478 102.731 -0.525 15.580 1.00 0.00 H new ATOM 0 HA ILE A 478 104.323 -1.733 17.662 1.00 0.00 H new ATOM 0 HB ILE A 478 103.354 -2.589 14.921 1.00 0.00 H new ATOM 0 HG12 ILE A 478 102.802 -4.365 17.139 1.00 0.00 H new ATOM 0 HG13 ILE A 478 102.331 -2.734 17.571 1.00 0.00 H new ATOM 0 HG21 ILE A 478 104.393 -4.786 15.321 1.00 0.00 H new ATOM 0 HG22 ILE A 478 105.611 -3.496 15.183 1.00 0.00 H new ATOM 0 HG23 ILE A 478 105.179 -4.144 16.783 1.00 0.00 H new ATOM 0 HD11 ILE A 478 100.465 -3.944 16.552 1.00 0.00 H new ATOM 0 HD12 ILE A 478 100.956 -2.575 15.526 1.00 0.00 H new ATOM 0 HD13 ILE A 478 101.434 -4.232 15.088 1.00 0.00 H new ATOM 661 N SER A 479 105.659 -0.463 14.952 1.00 0.00 N ATOM 662 CA SER A 479 106.911 -0.083 14.307 1.00 0.00 C ATOM 663 C SER A 479 106.672 0.979 13.237 1.00 0.00 C ATOM 664 O SER A 479 106.010 0.721 12.232 1.00 0.00 O ATOM 665 CB SER A 479 107.578 -1.310 13.683 1.00 0.00 C ATOM 666 OG SER A 479 108.208 -0.981 12.458 1.00 0.00 O ATOM 0 H SER A 479 104.825 -0.077 14.510 1.00 0.00 H new ATOM 0 HA SER A 479 107.571 0.335 15.067 1.00 0.00 H new ATOM 0 HB2 SER A 479 108.314 -1.719 14.375 1.00 0.00 H new ATOM 0 HB3 SER A 479 106.832 -2.087 13.515 1.00 0.00 H new ATOM 0 HG SER A 479 108.628 -1.782 12.081 1.00 0.00 H new ATOM 672 N GLU A 480 107.214 2.173 13.460 1.00 0.00 N ATOM 673 CA GLU A 480 107.057 3.271 12.513 1.00 0.00 C ATOM 674 C GLU A 480 107.076 2.759 11.076 1.00 0.00 C ATOM 675 O GLU A 480 108.029 2.104 10.651 1.00 0.00 O ATOM 676 CB GLU A 480 108.164 4.309 12.713 1.00 0.00 C ATOM 677 CG GLU A 480 108.058 5.500 11.774 1.00 0.00 C ATOM 678 CD GLU A 480 109.366 5.803 11.068 1.00 0.00 C ATOM 679 OE1 GLU A 480 109.407 5.703 9.824 1.00 0.00 O ATOM 680 OE2 GLU A 480 110.349 6.141 11.760 1.00 0.00 O ATOM 0 H GLU A 480 107.765 2.404 14.287 1.00 0.00 H new ATOM 0 HA GLU A 480 106.091 3.741 12.698 1.00 0.00 H new ATOM 0 HB2 GLU A 480 108.135 4.665 13.743 1.00 0.00 H new ATOM 0 HB3 GLU A 480 109.132 3.828 12.569 1.00 0.00 H new ATOM 0 HG2 GLU A 480 107.285 5.305 11.031 1.00 0.00 H new ATOM 0 HG3 GLU A 480 107.743 6.377 12.339 1.00 0.00 H new ATOM 687 N VAL A 481 106.015 3.057 10.334 1.00 0.00 N ATOM 688 CA VAL A 481 105.905 2.625 8.945 1.00 0.00 C ATOM 689 C VAL A 481 105.938 3.811 7.991 1.00 0.00 C ATOM 690 O VAL A 481 105.651 4.943 8.380 1.00 0.00 O ATOM 691 CB VAL A 481 104.606 1.835 8.710 1.00 0.00 C ATOM 692 CG1 VAL A 481 104.686 0.468 9.368 1.00 0.00 C ATOM 693 CG2 VAL A 481 103.407 2.615 9.226 1.00 0.00 C ATOM 0 H VAL A 481 105.218 3.597 10.671 1.00 0.00 H new ATOM 0 HA VAL A 481 106.762 1.981 8.747 1.00 0.00 H new ATOM 0 HB VAL A 481 104.480 1.688 7.637 1.00 0.00 H new ATOM 0 HG11 VAL A 481 103.758 -0.076 9.191 1.00 0.00 H new ATOM 0 HG12 VAL A 481 105.521 -0.091 8.945 1.00 0.00 H new ATOM 0 HG13 VAL A 481 104.837 0.589 10.441 1.00 0.00 H new ATOM 0 HG21 VAL A 481 102.497 2.041 9.051 1.00 0.00 H new ATOM 0 HG22 VAL A 481 103.523 2.795 10.295 1.00 0.00 H new ATOM 0 HG23 VAL A 481 103.341 3.569 8.702 1.00 0.00 H new ATOM 703 N LEU A 482 106.287 3.542 6.737 1.00 0.00 N ATOM 704 CA LEU A 482 106.351 4.586 5.724 1.00 0.00 C ATOM 705 C LEU A 482 104.957 5.112 5.409 1.00 0.00 C ATOM 706 O LEU A 482 104.608 6.235 5.774 1.00 0.00 O ATOM 707 CB LEU A 482 107.007 4.051 4.448 1.00 0.00 C ATOM 708 CG LEU A 482 107.404 5.117 3.425 1.00 0.00 C ATOM 709 CD1 LEU A 482 106.229 5.452 2.519 1.00 0.00 C ATOM 710 CD2 LEU A 482 107.911 6.366 4.128 1.00 0.00 C ATOM 0 H LEU A 482 106.529 2.610 6.400 1.00 0.00 H new ATOM 0 HA LEU A 482 106.954 5.405 6.115 1.00 0.00 H new ATOM 0 HB2 LEU A 482 107.897 3.487 4.725 1.00 0.00 H new ATOM 0 HB3 LEU A 482 106.321 3.351 3.972 1.00 0.00 H new ATOM 0 HG LEU A 482 108.209 4.719 2.808 1.00 0.00 H new ATOM 0 HD11 LEU A 482 106.531 6.212 1.798 1.00 0.00 H new ATOM 0 HD12 LEU A 482 105.911 4.554 1.989 1.00 0.00 H new ATOM 0 HD13 LEU A 482 105.402 5.830 3.120 1.00 0.00 H new ATOM 0 HD21 LEU A 482 108.189 7.114 3.385 1.00 0.00 H new ATOM 0 HD22 LEU A 482 107.126 6.766 4.770 1.00 0.00 H new ATOM 0 HD23 LEU A 482 108.782 6.115 4.733 1.00 0.00 H new ATOM 722 N TYR A 483 104.164 4.294 4.726 1.00 0.00 N ATOM 723 CA TYR A 483 102.806 4.684 4.361 1.00 0.00 C ATOM 724 C TYR A 483 101.878 3.476 4.304 1.00 0.00 C ATOM 725 O TYR A 483 102.267 2.401 3.851 1.00 0.00 O ATOM 726 CB TYR A 483 102.804 5.403 3.012 1.00 0.00 C ATOM 727 CG TYR A 483 101.429 5.518 2.391 1.00 0.00 C ATOM 728 CD1 TYR A 483 100.692 6.690 2.500 1.00 0.00 C ATOM 729 CD2 TYR A 483 100.868 4.451 1.700 1.00 0.00 C ATOM 730 CE1 TYR A 483 99.436 6.797 1.935 1.00 0.00 C ATOM 731 CE2 TYR A 483 99.612 4.551 1.132 1.00 0.00 C ATOM 732 CZ TYR A 483 98.901 5.726 1.253 1.00 0.00 C ATOM 733 OH TYR A 483 97.650 5.831 0.689 1.00 0.00 O ATOM 0 H TYR A 483 104.436 3.361 4.415 1.00 0.00 H new ATOM 0 HA TYR A 483 102.437 5.362 5.131 1.00 0.00 H new ATOM 0 HB2 TYR A 483 103.220 6.402 3.141 1.00 0.00 H new ATOM 0 HB3 TYR A 483 103.461 4.870 2.324 1.00 0.00 H new ATOM 0 HD1 TYR A 483 101.107 7.531 3.035 1.00 0.00 H new ATOM 0 HD2 TYR A 483 101.422 3.529 1.605 1.00 0.00 H new ATOM 0 HE1 TYR A 483 98.876 7.716 2.027 1.00 0.00 H new ATOM 0 HE2 TYR A 483 99.190 3.714 0.596 1.00 0.00 H new ATOM 0 HH TYR A 483 97.420 4.989 0.244 1.00 0.00 H new ATOM 743 N VAL A 484 100.644 3.667 4.763 1.00 0.00 N ATOM 744 CA VAL A 484 99.652 2.598 4.761 1.00 0.00 C ATOM 745 C VAL A 484 98.724 2.723 3.558 1.00 0.00 C ATOM 746 O VAL A 484 98.029 3.726 3.401 1.00 0.00 O ATOM 747 CB VAL A 484 98.810 2.609 6.050 1.00 0.00 C ATOM 748 CG1 VAL A 484 98.128 1.265 6.254 1.00 0.00 C ATOM 749 CG2 VAL A 484 99.676 2.964 7.249 1.00 0.00 C ATOM 0 H VAL A 484 100.308 4.553 5.141 1.00 0.00 H new ATOM 0 HA VAL A 484 100.197 1.656 4.704 1.00 0.00 H new ATOM 0 HB VAL A 484 98.036 3.371 5.951 1.00 0.00 H new ATOM 0 HG11 VAL A 484 97.538 1.292 7.170 1.00 0.00 H new ATOM 0 HG12 VAL A 484 97.475 1.056 5.407 1.00 0.00 H new ATOM 0 HG13 VAL A 484 98.883 0.482 6.332 1.00 0.00 H new ATOM 0 HG21 VAL A 484 99.065 2.967 8.151 1.00 0.00 H new ATOM 0 HG22 VAL A 484 100.473 2.228 7.353 1.00 0.00 H new ATOM 0 HG23 VAL A 484 100.112 3.952 7.103 1.00 0.00 H new ATOM 759 N ASP A 485 98.723 1.701 2.708 1.00 0.00 N ATOM 760 CA ASP A 485 97.886 1.704 1.515 1.00 0.00 C ATOM 761 C ASP A 485 96.630 0.866 1.714 1.00 0.00 C ATOM 762 O ASP A 485 96.599 -0.317 1.379 1.00 0.00 O ATOM 763 CB ASP A 485 98.673 1.181 0.315 1.00 0.00 C ATOM 764 CG ASP A 485 97.881 1.255 -0.975 1.00 0.00 C ATOM 765 OD1 ASP A 485 97.587 0.188 -1.553 1.00 0.00 O ATOM 766 OD2 ASP A 485 97.554 2.379 -1.408 1.00 0.00 O ATOM 0 H ASP A 485 99.292 0.862 2.823 1.00 0.00 H new ATOM 0 HA ASP A 485 97.581 2.733 1.327 1.00 0.00 H new ATOM 0 HB2 ASP A 485 99.591 1.758 0.207 1.00 0.00 H new ATOM 0 HB3 ASP A 485 98.966 0.147 0.499 1.00 0.00 H new ATOM 771 N LEU A 486 95.594 1.493 2.255 1.00 0.00 N ATOM 772 CA LEU A 486 94.327 0.811 2.491 1.00 0.00 C ATOM 773 C LEU A 486 93.372 1.036 1.324 1.00 0.00 C ATOM 774 O LEU A 486 93.146 2.173 0.909 1.00 0.00 O ATOM 775 CB LEU A 486 93.687 1.313 3.788 1.00 0.00 C ATOM 776 CG LEU A 486 92.212 0.949 3.962 1.00 0.00 C ATOM 777 CD1 LEU A 486 92.033 0.005 5.141 1.00 0.00 C ATOM 778 CD2 LEU A 486 91.372 2.204 4.150 1.00 0.00 C ATOM 0 H LEU A 486 95.605 2.473 2.539 1.00 0.00 H new ATOM 0 HA LEU A 486 94.526 -0.257 2.582 1.00 0.00 H new ATOM 0 HB2 LEU A 486 94.247 0.910 4.632 1.00 0.00 H new ATOM 0 HB3 LEU A 486 93.786 2.398 3.828 1.00 0.00 H new ATOM 0 HG LEU A 486 91.873 0.441 3.059 1.00 0.00 H new ATOM 0 HD11 LEU A 486 90.978 -0.244 5.251 1.00 0.00 H new ATOM 0 HD12 LEU A 486 92.605 -0.907 4.967 1.00 0.00 H new ATOM 0 HD13 LEU A 486 92.388 0.488 6.051 1.00 0.00 H new ATOM 0 HD21 LEU A 486 90.325 1.926 4.272 1.00 0.00 H new ATOM 0 HD22 LEU A 486 91.711 2.739 5.037 1.00 0.00 H new ATOM 0 HD23 LEU A 486 91.477 2.847 3.276 1.00 0.00 H new ATOM 790 N LEU A 487 92.812 -0.050 0.796 1.00 0.00 N ATOM 791 CA LEU A 487 91.882 0.053 -0.323 1.00 0.00 C ATOM 792 C LEU A 487 90.567 0.680 0.126 1.00 0.00 C ATOM 793 O LEU A 487 89.687 0.000 0.652 1.00 0.00 O ATOM 794 CB LEU A 487 91.628 -1.324 -0.941 1.00 0.00 C ATOM 795 CG LEU A 487 92.220 -1.524 -2.338 1.00 0.00 C ATOM 796 CD1 LEU A 487 93.716 -1.247 -2.330 1.00 0.00 C ATOM 797 CD2 LEU A 487 91.935 -2.931 -2.843 1.00 0.00 C ATOM 0 H LEU A 487 92.984 -1.001 1.121 1.00 0.00 H new ATOM 0 HA LEU A 487 92.332 0.696 -1.080 1.00 0.00 H new ATOM 0 HB2 LEU A 487 92.037 -2.085 -0.277 1.00 0.00 H new ATOM 0 HB3 LEU A 487 90.552 -1.490 -0.991 1.00 0.00 H new ATOM 0 HG LEU A 487 91.746 -0.815 -3.017 1.00 0.00 H new ATOM 0 HD11 LEU A 487 94.119 -1.395 -3.332 1.00 0.00 H new ATOM 0 HD12 LEU A 487 93.894 -0.219 -2.015 1.00 0.00 H new ATOM 0 HD13 LEU A 487 94.209 -1.929 -1.637 1.00 0.00 H new ATOM 0 HD21 LEU A 487 92.364 -3.054 -3.838 1.00 0.00 H new ATOM 0 HD22 LEU A 487 92.379 -3.658 -2.164 1.00 0.00 H new ATOM 0 HD23 LEU A 487 90.858 -3.089 -2.890 1.00 0.00 H new ATOM 809 N GLU A 488 90.448 1.989 -0.078 1.00 0.00 N ATOM 810 CA GLU A 488 89.249 2.723 0.311 1.00 0.00 C ATOM 811 C GLU A 488 87.995 1.873 0.142 1.00 0.00 C ATOM 812 O GLU A 488 87.704 1.386 -0.952 1.00 0.00 O ATOM 813 CB GLU A 488 89.120 4.004 -0.515 1.00 0.00 C ATOM 814 CG GLU A 488 87.910 4.844 -0.142 1.00 0.00 C ATOM 815 CD GLU A 488 87.912 5.245 1.320 1.00 0.00 C ATOM 816 OE1 GLU A 488 88.061 6.452 1.605 1.00 0.00 O ATOM 817 OE2 GLU A 488 87.764 4.352 2.181 1.00 0.00 O ATOM 0 H GLU A 488 91.170 2.564 -0.512 1.00 0.00 H new ATOM 0 HA GLU A 488 89.347 2.980 1.366 1.00 0.00 H new ATOM 0 HB2 GLU A 488 90.022 4.603 -0.387 1.00 0.00 H new ATOM 0 HB3 GLU A 488 89.059 3.742 -1.571 1.00 0.00 H new ATOM 0 HG2 GLU A 488 87.889 5.741 -0.762 1.00 0.00 H new ATOM 0 HG3 GLU A 488 87.001 4.284 -0.361 1.00 0.00 H new ATOM 824 N GLY A 489 87.251 1.707 1.231 1.00 0.00 N ATOM 825 CA GLY A 489 86.030 0.924 1.186 1.00 0.00 C ATOM 826 C GLY A 489 86.287 -0.569 1.155 1.00 0.00 C ATOM 827 O GLY A 489 85.360 -1.360 0.973 1.00 0.00 O ATOM 0 H GLY A 489 87.473 2.102 2.145 1.00 0.00 H new ATOM 0 HA2 GLY A 489 85.418 1.164 2.056 1.00 0.00 H new ATOM 0 HA3 GLY A 489 85.455 1.207 0.304 1.00 0.00 H new ATOM 831 N ASP A 490 87.544 -0.958 1.332 1.00 0.00 N ATOM 832 CA ASP A 490 87.912 -2.369 1.322 1.00 0.00 C ATOM 833 C ASP A 490 88.464 -2.798 2.677 1.00 0.00 C ATOM 834 O ASP A 490 89.073 -2.001 3.391 1.00 0.00 O ATOM 835 CB ASP A 490 88.948 -2.641 0.231 1.00 0.00 C ATOM 836 CG ASP A 490 88.983 -4.100 -0.187 1.00 0.00 C ATOM 837 OD1 ASP A 490 89.856 -4.840 0.315 1.00 0.00 O ATOM 838 OD2 ASP A 490 88.138 -4.501 -1.014 1.00 0.00 O ATOM 0 H ASP A 490 88.324 -0.318 1.484 1.00 0.00 H new ATOM 0 HA ASP A 490 87.013 -2.949 1.114 1.00 0.00 H new ATOM 0 HB2 ASP A 490 88.726 -2.023 -0.639 1.00 0.00 H new ATOM 0 HB3 ASP A 490 89.934 -2.345 0.589 1.00 0.00 H new ATOM 843 N THR A 491 88.249 -4.062 3.021 1.00 0.00 N ATOM 844 CA THR A 491 88.726 -4.602 4.287 1.00 0.00 C ATOM 845 C THR A 491 90.166 -5.086 4.167 1.00 0.00 C ATOM 846 O THR A 491 90.670 -5.787 5.045 1.00 0.00 O ATOM 847 CB THR A 491 87.846 -5.773 4.766 1.00 0.00 C ATOM 848 OG1 THR A 491 86.750 -6.003 3.872 1.00 0.00 O ATOM 849 CG2 THR A 491 87.286 -5.499 6.154 1.00 0.00 C ATOM 0 H THR A 491 87.747 -4.733 2.440 1.00 0.00 H new ATOM 0 HA THR A 491 88.673 -3.793 5.016 1.00 0.00 H new ATOM 0 HB THR A 491 88.483 -6.657 4.792 1.00 0.00 H new ATOM 0 HG1 THR A 491 86.211 -6.752 4.201 1.00 0.00 H new ATOM 0 HG21 THR A 491 86.668 -6.340 6.470 1.00 0.00 H new ATOM 0 HG22 THR A 491 88.107 -5.367 6.858 1.00 0.00 H new ATOM 0 HG23 THR A 491 86.680 -4.593 6.130 1.00 0.00 H new ATOM 857 N GLU A 492 90.823 -4.713 3.073 1.00 0.00 N ATOM 858 CA GLU A 492 92.203 -5.120 2.840 1.00 0.00 C ATOM 859 C GLU A 492 93.115 -3.914 2.624 1.00 0.00 C ATOM 860 O GLU A 492 92.921 -3.127 1.694 1.00 0.00 O ATOM 861 CB GLU A 492 92.287 -6.052 1.630 1.00 0.00 C ATOM 862 CG GLU A 492 91.230 -7.144 1.624 1.00 0.00 C ATOM 863 CD GLU A 492 91.139 -7.857 0.288 1.00 0.00 C ATOM 864 OE1 GLU A 492 90.270 -8.743 0.144 1.00 0.00 O ATOM 865 OE2 GLU A 492 91.936 -7.528 -0.615 1.00 0.00 O ATOM 0 H GLU A 492 90.423 -4.132 2.337 1.00 0.00 H new ATOM 0 HA GLU A 492 92.543 -5.649 3.730 1.00 0.00 H new ATOM 0 HB2 GLU A 492 92.190 -5.460 0.720 1.00 0.00 H new ATOM 0 HB3 GLU A 492 93.274 -6.514 1.607 1.00 0.00 H new ATOM 0 HG2 GLU A 492 91.458 -7.870 2.405 1.00 0.00 H new ATOM 0 HG3 GLU A 492 90.261 -6.708 1.866 1.00 0.00 H new ATOM 872 N CYS A 493 94.116 -3.784 3.488 1.00 0.00 N ATOM 873 CA CYS A 493 95.074 -2.691 3.398 1.00 0.00 C ATOM 874 C CYS A 493 96.497 -3.239 3.419 1.00 0.00 C ATOM 875 O CYS A 493 96.791 -4.186 4.145 1.00 0.00 O ATOM 876 CB CYS A 493 94.875 -1.712 4.557 1.00 0.00 C ATOM 877 SG CYS A 493 94.552 -2.509 6.146 1.00 0.00 S ATOM 0 H CYS A 493 94.284 -4.426 4.262 1.00 0.00 H new ATOM 0 HA CYS A 493 94.910 -2.161 2.459 1.00 0.00 H new ATOM 0 HB2 CYS A 493 95.764 -1.089 4.649 1.00 0.00 H new ATOM 0 HB3 CYS A 493 94.044 -1.048 4.320 1.00 0.00 H new ATOM 0 HG CYS A 493 93.470 -3.224 6.061 1.00 0.00 H new ATOM 883 N HIS A 494 97.378 -2.637 2.631 1.00 0.00 N ATOM 884 CA HIS A 494 98.768 -3.071 2.573 1.00 0.00 C ATOM 885 C HIS A 494 99.700 -1.928 2.955 1.00 0.00 C ATOM 886 O HIS A 494 99.884 -0.984 2.186 1.00 0.00 O ATOM 887 CB HIS A 494 99.113 -3.579 1.171 1.00 0.00 C ATOM 888 CG HIS A 494 98.303 -4.766 0.747 1.00 0.00 C ATOM 889 ND1 HIS A 494 96.927 -4.805 0.820 1.00 0.00 N ATOM 890 CD2 HIS A 494 98.685 -5.960 0.234 1.00 0.00 C ATOM 891 CE1 HIS A 494 96.497 -5.972 0.373 1.00 0.00 C ATOM 892 NE2 HIS A 494 97.544 -6.690 0.011 1.00 0.00 N ATOM 0 H HIS A 494 97.156 -1.848 2.024 1.00 0.00 H new ATOM 0 HA HIS A 494 98.901 -3.886 3.285 1.00 0.00 H new ATOM 0 HB2 HIS A 494 98.962 -2.772 0.454 1.00 0.00 H new ATOM 0 HB3 HIS A 494 100.171 -3.841 1.139 1.00 0.00 H new ATOM 0 HD2 HIS A 494 99.698 -6.278 0.037 1.00 0.00 H new ATOM 0 HE1 HIS A 494 95.465 -6.285 0.314 1.00 0.00 H new ATOM 0 HE2 HIS A 494 97.511 -7.635 -0.372 1.00 0.00 H new ATOM 901 N ALA A 495 100.270 -2.008 4.152 1.00 0.00 N ATOM 902 CA ALA A 495 101.166 -0.965 4.635 1.00 0.00 C ATOM 903 C ALA A 495 102.595 -1.178 4.152 1.00 0.00 C ATOM 904 O ALA A 495 103.164 -2.258 4.312 1.00 0.00 O ATOM 905 CB ALA A 495 101.133 -0.886 6.155 1.00 0.00 C ATOM 0 H ALA A 495 100.128 -2.781 4.803 1.00 0.00 H new ATOM 0 HA ALA A 495 100.811 -0.020 4.223 1.00 0.00 H new ATOM 0 HB1 ALA A 495 101.809 -0.101 6.493 1.00 0.00 H new ATOM 0 HB2 ALA A 495 100.119 -0.659 6.486 1.00 0.00 H new ATOM 0 HB3 ALA A 495 101.447 -1.841 6.576 1.00 0.00 H new ATOM 911 N ARG A 496 103.174 -0.131 3.570 1.00 0.00 N ATOM 912 CA ARG A 496 104.541 -0.188 3.074 1.00 0.00 C ATOM 913 C ARG A 496 105.514 0.306 4.138 1.00 0.00 C ATOM 914 O ARG A 496 105.278 1.333 4.777 1.00 0.00 O ATOM 915 CB ARG A 496 104.687 0.657 1.806 1.00 0.00 C ATOM 916 CG ARG A 496 103.387 0.854 1.046 1.00 0.00 C ATOM 917 CD ARG A 496 103.639 1.454 -0.328 1.00 0.00 C ATOM 918 NE ARG A 496 103.216 2.852 -0.403 1.00 0.00 N ATOM 919 CZ ARG A 496 102.020 3.244 -0.835 1.00 0.00 C ATOM 920 NH1 ARG A 496 101.121 2.349 -1.223 1.00 0.00 N ATOM 921 NH2 ARG A 496 101.719 4.535 -0.875 1.00 0.00 N ATOM 0 H ARG A 496 102.714 0.769 3.431 1.00 0.00 H new ATOM 0 HA ARG A 496 104.774 -1.226 2.835 1.00 0.00 H new ATOM 0 HB2 ARG A 496 105.090 1.633 2.076 1.00 0.00 H new ATOM 0 HB3 ARG A 496 105.414 0.183 1.147 1.00 0.00 H new ATOM 0 HG2 ARG A 496 102.876 -0.103 0.940 1.00 0.00 H new ATOM 0 HG3 ARG A 496 102.725 1.507 1.615 1.00 0.00 H new ATOM 0 HD2 ARG A 496 104.701 1.384 -0.565 1.00 0.00 H new ATOM 0 HD3 ARG A 496 103.105 0.873 -1.080 1.00 0.00 H new ATOM 0 HE ARG A 496 103.877 3.570 -0.106 1.00 0.00 H new ATOM 0 HH11 ARG A 496 101.345 1.354 -1.191 1.00 0.00 H new ATOM 0 HH12 ARG A 496 100.206 2.655 -1.553 1.00 0.00 H new ATOM 0 HH21 ARG A 496 102.404 5.228 -0.575 1.00 0.00 H new ATOM 0 HH22 ARG A 496 100.802 4.835 -1.206 1.00 0.00 H new ATOM 935 N PHE A 497 106.607 -0.427 4.320 1.00 0.00 N ATOM 936 CA PHE A 497 107.613 -0.057 5.309 1.00 0.00 C ATOM 937 C PHE A 497 108.892 0.417 4.630 1.00 0.00 C ATOM 938 O PHE A 497 109.201 0.004 3.514 1.00 0.00 O ATOM 939 CB PHE A 497 107.914 -1.241 6.230 1.00 0.00 C ATOM 940 CG PHE A 497 106.718 -1.714 7.008 1.00 0.00 C ATOM 941 CD1 PHE A 497 105.563 -2.116 6.354 1.00 0.00 C ATOM 942 CD2 PHE A 497 106.749 -1.759 8.393 1.00 0.00 C ATOM 943 CE1 PHE A 497 104.462 -2.551 7.067 1.00 0.00 C ATOM 944 CE2 PHE A 497 105.650 -2.194 9.110 1.00 0.00 C ATOM 945 CZ PHE A 497 104.505 -2.591 8.446 1.00 0.00 C ATOM 0 H PHE A 497 106.819 -1.277 3.798 1.00 0.00 H new ATOM 0 HA PHE A 497 107.216 0.764 5.907 1.00 0.00 H new ATOM 0 HB2 PHE A 497 108.299 -2.067 5.632 1.00 0.00 H new ATOM 0 HB3 PHE A 497 108.702 -0.958 6.927 1.00 0.00 H new ATOM 0 HD1 PHE A 497 105.524 -2.089 5.275 1.00 0.00 H new ATOM 0 HD2 PHE A 497 107.641 -1.451 8.918 1.00 0.00 H new ATOM 0 HE1 PHE A 497 103.568 -2.860 6.545 1.00 0.00 H new ATOM 0 HE2 PHE A 497 105.686 -2.224 10.189 1.00 0.00 H new ATOM 0 HZ PHE A 497 103.646 -2.932 9.005 1.00 0.00 H new ATOM 955 N LYS A 498 109.630 1.291 5.302 1.00 0.00 N ATOM 956 CA LYS A 498 110.873 1.821 4.752 1.00 0.00 C ATOM 957 C LYS A 498 111.957 0.749 4.716 1.00 0.00 C ATOM 958 O LYS A 498 112.962 0.892 4.019 1.00 0.00 O ATOM 959 CB LYS A 498 111.350 3.018 5.573 1.00 0.00 C ATOM 960 CG LYS A 498 112.525 3.752 4.951 1.00 0.00 C ATOM 961 CD LYS A 498 112.757 5.095 5.622 1.00 0.00 C ATOM 962 CE LYS A 498 114.232 5.456 5.649 1.00 0.00 C ATOM 963 NZ LYS A 498 114.593 6.387 4.545 1.00 0.00 N ATOM 0 H LYS A 498 109.391 1.648 6.227 1.00 0.00 H new ATOM 0 HA LYS A 498 110.677 2.145 3.730 1.00 0.00 H new ATOM 0 HB2 LYS A 498 110.522 3.715 5.698 1.00 0.00 H new ATOM 0 HB3 LYS A 498 111.632 2.676 6.569 1.00 0.00 H new ATOM 0 HG2 LYS A 498 113.424 3.141 5.036 1.00 0.00 H new ATOM 0 HG3 LYS A 498 112.341 3.902 3.887 1.00 0.00 H new ATOM 0 HD2 LYS A 498 112.202 5.869 5.092 1.00 0.00 H new ATOM 0 HD3 LYS A 498 112.370 5.066 6.640 1.00 0.00 H new ATOM 0 HE2 LYS A 498 114.476 5.916 6.607 1.00 0.00 H new ATOM 0 HE3 LYS A 498 114.830 4.548 5.569 1.00 0.00 H new ATOM 0 HZ1 LYS A 498 115.607 6.610 4.597 1.00 0.00 H new ATOM 0 HZ2 LYS A 498 114.383 5.939 3.630 1.00 0.00 H new ATOM 0 HZ3 LYS A 498 114.041 7.264 4.636 1.00 0.00 H new ATOM 977 N THR A 499 111.749 -0.323 5.473 1.00 0.00 N ATOM 978 CA THR A 499 112.710 -1.417 5.527 1.00 0.00 C ATOM 979 C THR A 499 112.007 -2.765 5.624 1.00 0.00 C ATOM 980 O THR A 499 110.891 -2.861 6.134 1.00 0.00 O ATOM 981 CB THR A 499 113.670 -1.267 6.722 1.00 0.00 C ATOM 982 OG1 THR A 499 113.098 -0.452 7.752 1.00 0.00 O ATOM 983 CG2 THR A 499 114.985 -0.642 6.285 1.00 0.00 C ATOM 0 H THR A 499 110.924 -0.457 6.057 1.00 0.00 H new ATOM 0 HA THR A 499 113.284 -1.375 4.601 1.00 0.00 H new ATOM 0 HB THR A 499 113.849 -2.269 7.113 1.00 0.00 H new ATOM 0 HG1 THR A 499 112.370 -0.941 8.190 1.00 0.00 H new ATOM 0 HG21 THR A 499 115.646 -0.546 7.146 1.00 0.00 H new ATOM 0 HG22 THR A 499 115.457 -1.275 5.534 1.00 0.00 H new ATOM 0 HG23 THR A 499 114.796 0.344 5.861 1.00 0.00 H new ATOM 991 N PRO A 500 112.659 -3.828 5.133 1.00 0.00 N ATOM 992 CA PRO A 500 112.103 -5.183 5.161 1.00 0.00 C ATOM 993 C PRO A 500 112.161 -5.805 6.552 1.00 0.00 C ATOM 994 O PRO A 500 111.223 -6.476 6.984 1.00 0.00 O ATOM 995 CB PRO A 500 113.010 -5.948 4.198 1.00 0.00 C ATOM 996 CG PRO A 500 114.320 -5.244 4.284 1.00 0.00 C ATOM 997 CD PRO A 500 113.997 -3.792 4.510 1.00 0.00 C ATOM 0 HA PRO A 500 111.048 -5.200 4.887 1.00 0.00 H new ATOM 0 HB2 PRO A 500 113.102 -6.995 4.486 1.00 0.00 H new ATOM 0 HB3 PRO A 500 112.615 -5.930 3.182 1.00 0.00 H new ATOM 0 HG2 PRO A 500 114.923 -5.641 5.100 1.00 0.00 H new ATOM 0 HG3 PRO A 500 114.896 -5.378 3.368 1.00 0.00 H new ATOM 0 HD2 PRO A 500 114.730 -3.315 5.161 1.00 0.00 H new ATOM 0 HD3 PRO A 500 113.989 -3.233 3.575 1.00 0.00 H new ATOM 1005 N GLU A 501 113.270 -5.581 7.248 1.00 0.00 N ATOM 1006 CA GLU A 501 113.453 -6.123 8.588 1.00 0.00 C ATOM 1007 C GLU A 501 112.368 -5.619 9.537 1.00 0.00 C ATOM 1008 O GLU A 501 111.983 -6.311 10.479 1.00 0.00 O ATOM 1009 CB GLU A 501 114.836 -5.750 9.127 1.00 0.00 C ATOM 1010 CG GLU A 501 115.155 -4.267 9.023 1.00 0.00 C ATOM 1011 CD GLU A 501 116.480 -3.910 9.668 1.00 0.00 C ATOM 1012 OE1 GLU A 501 117.331 -3.306 8.981 1.00 0.00 O ATOM 1013 OE2 GLU A 501 116.666 -4.232 10.859 1.00 0.00 O ATOM 0 H GLU A 501 114.056 -5.028 6.906 1.00 0.00 H new ATOM 0 HA GLU A 501 113.376 -7.208 8.526 1.00 0.00 H new ATOM 0 HB2 GLU A 501 114.903 -6.054 10.172 1.00 0.00 H new ATOM 0 HB3 GLU A 501 115.593 -6.314 8.582 1.00 0.00 H new ATOM 0 HG2 GLU A 501 115.176 -3.976 7.973 1.00 0.00 H new ATOM 0 HG3 GLU A 501 114.358 -3.693 9.496 1.00 0.00 H new ATOM 1020 N ASP A 502 111.881 -4.409 9.284 1.00 0.00 N ATOM 1021 CA ASP A 502 110.841 -3.814 10.117 1.00 0.00 C ATOM 1022 C ASP A 502 109.548 -4.626 10.053 1.00 0.00 C ATOM 1023 O ASP A 502 108.796 -4.687 11.025 1.00 0.00 O ATOM 1024 CB ASP A 502 110.571 -2.371 9.683 1.00 0.00 C ATOM 1025 CG ASP A 502 111.453 -1.375 10.409 1.00 0.00 C ATOM 1026 OD1 ASP A 502 111.832 -1.650 11.566 1.00 0.00 O ATOM 1027 OD2 ASP A 502 111.765 -0.318 9.819 1.00 0.00 O ATOM 0 H ASP A 502 112.189 -3.821 8.510 1.00 0.00 H new ATOM 0 HA ASP A 502 111.197 -3.818 11.147 1.00 0.00 H new ATOM 0 HB2 ASP A 502 110.734 -2.281 8.609 1.00 0.00 H new ATOM 0 HB3 ASP A 502 109.525 -2.128 9.868 1.00 0.00 H new ATOM 1032 N ALA A 503 109.294 -5.240 8.902 1.00 0.00 N ATOM 1033 CA ALA A 503 108.089 -6.041 8.713 1.00 0.00 C ATOM 1034 C ALA A 503 108.093 -7.273 9.614 1.00 0.00 C ATOM 1035 O ALA A 503 107.070 -7.626 10.201 1.00 0.00 O ATOM 1036 CB ALA A 503 107.939 -6.458 7.256 1.00 0.00 C ATOM 0 H ALA A 503 109.905 -5.199 8.087 1.00 0.00 H new ATOM 0 HA ALA A 503 107.237 -5.420 8.990 1.00 0.00 H new ATOM 0 HB1 ALA A 503 107.034 -7.054 7.139 1.00 0.00 H new ATOM 0 HB2 ALA A 503 107.872 -5.569 6.628 1.00 0.00 H new ATOM 0 HB3 ALA A 503 108.804 -7.049 6.956 1.00 0.00 H new ATOM 1042 N GLN A 504 109.245 -7.926 9.714 1.00 0.00 N ATOM 1043 CA GLN A 504 109.379 -9.123 10.538 1.00 0.00 C ATOM 1044 C GLN A 504 109.019 -8.836 11.995 1.00 0.00 C ATOM 1045 O GLN A 504 108.369 -9.646 12.654 1.00 0.00 O ATOM 1046 CB GLN A 504 110.807 -9.666 10.453 1.00 0.00 C ATOM 1047 CG GLN A 504 110.875 -11.162 10.194 1.00 0.00 C ATOM 1048 CD GLN A 504 110.002 -11.594 9.033 1.00 0.00 C ATOM 1049 OE1 GLN A 504 109.410 -10.763 8.344 1.00 0.00 O ATOM 1050 NE2 GLN A 504 109.917 -12.900 8.810 1.00 0.00 N ATOM 0 H GLN A 504 110.101 -7.647 9.234 1.00 0.00 H new ATOM 0 HA GLN A 504 108.685 -9.871 10.156 1.00 0.00 H new ATOM 0 HB2 GLN A 504 111.339 -9.144 9.658 1.00 0.00 H new ATOM 0 HB3 GLN A 504 111.328 -9.443 11.384 1.00 0.00 H new ATOM 0 HG2 GLN A 504 111.908 -11.445 9.992 1.00 0.00 H new ATOM 0 HG3 GLN A 504 110.568 -11.697 11.093 1.00 0.00 H new ATOM 0 HE21 GLN A 504 110.425 -13.553 9.406 1.00 0.00 H new ATOM 0 HE22 GLN A 504 109.344 -13.250 8.042 1.00 0.00 H new ATOM 1059 N ALA A 505 109.458 -7.688 12.497 1.00 0.00 N ATOM 1060 CA ALA A 505 109.187 -7.309 13.877 1.00 0.00 C ATOM 1061 C ALA A 505 107.697 -7.075 14.119 1.00 0.00 C ATOM 1062 O ALA A 505 107.164 -7.452 15.163 1.00 0.00 O ATOM 1063 CB ALA A 505 109.980 -6.069 14.263 1.00 0.00 C ATOM 0 H ALA A 505 110.002 -7.005 11.970 1.00 0.00 H new ATOM 0 HA ALA A 505 109.502 -8.141 14.506 1.00 0.00 H new ATOM 0 HB1 ALA A 505 109.761 -5.805 15.298 1.00 0.00 H new ATOM 0 HB2 ALA A 505 111.046 -6.271 14.157 1.00 0.00 H new ATOM 0 HB3 ALA A 505 109.702 -5.241 13.611 1.00 0.00 H new ATOM 1069 N VAL A 506 107.029 -6.436 13.160 1.00 0.00 N ATOM 1070 CA VAL A 506 105.604 -6.140 13.291 1.00 0.00 C ATOM 1071 C VAL A 506 104.747 -7.402 13.244 1.00 0.00 C ATOM 1072 O VAL A 506 103.810 -7.551 14.027 1.00 0.00 O ATOM 1073 CB VAL A 506 105.131 -5.174 12.189 1.00 0.00 C ATOM 1074 CG1 VAL A 506 103.653 -4.860 12.353 1.00 0.00 C ATOM 1075 CG2 VAL A 506 105.960 -3.899 12.205 1.00 0.00 C ATOM 0 H VAL A 506 107.449 -6.115 12.288 1.00 0.00 H new ATOM 0 HA VAL A 506 105.480 -5.671 14.267 1.00 0.00 H new ATOM 0 HB VAL A 506 105.270 -5.658 11.222 1.00 0.00 H new ATOM 0 HG11 VAL A 506 103.337 -4.176 11.565 1.00 0.00 H new ATOM 0 HG12 VAL A 506 103.076 -5.782 12.286 1.00 0.00 H new ATOM 0 HG13 VAL A 506 103.485 -4.396 13.325 1.00 0.00 H new ATOM 0 HG21 VAL A 506 105.611 -3.228 11.420 1.00 0.00 H new ATOM 0 HG22 VAL A 506 105.855 -3.409 13.173 1.00 0.00 H new ATOM 0 HG23 VAL A 506 107.008 -4.144 12.034 1.00 0.00 H new ATOM 1085 N ILE A 507 105.063 -8.304 12.321 1.00 0.00 N ATOM 1086 CA ILE A 507 104.302 -9.542 12.185 1.00 0.00 C ATOM 1087 C ILE A 507 104.455 -10.423 13.418 1.00 0.00 C ATOM 1088 O ILE A 507 103.520 -11.118 13.816 1.00 0.00 O ATOM 1089 CB ILE A 507 104.723 -10.349 10.943 1.00 0.00 C ATOM 1090 CG1 ILE A 507 106.241 -10.523 10.897 1.00 0.00 C ATOM 1091 CG2 ILE A 507 104.221 -9.675 9.675 1.00 0.00 C ATOM 1092 CD1 ILE A 507 106.719 -11.818 11.515 1.00 0.00 C ATOM 0 H ILE A 507 105.834 -8.203 11.661 1.00 0.00 H new ATOM 0 HA ILE A 507 103.259 -9.246 12.073 1.00 0.00 H new ATOM 0 HB ILE A 507 104.271 -11.339 11.009 1.00 0.00 H new ATOM 0 HG12 ILE A 507 106.572 -10.481 9.859 1.00 0.00 H new ATOM 0 HG13 ILE A 507 106.710 -9.687 11.416 1.00 0.00 H new ATOM 0 HG21 ILE A 507 104.527 -10.259 8.807 1.00 0.00 H new ATOM 0 HG22 ILE A 507 103.133 -9.611 9.703 1.00 0.00 H new ATOM 0 HG23 ILE A 507 104.642 -8.672 9.605 1.00 0.00 H new ATOM 0 HD11 ILE A 507 107.805 -11.874 11.447 1.00 0.00 H new ATOM 0 HD12 ILE A 507 106.418 -11.854 12.562 1.00 0.00 H new ATOM 0 HD13 ILE A 507 106.278 -12.660 10.982 1.00 0.00 H new ATOM 1104 N ASN A 508 105.632 -10.375 14.029 1.00 0.00 N ATOM 1105 CA ASN A 508 105.893 -11.156 15.230 1.00 0.00 C ATOM 1106 C ASN A 508 105.095 -10.597 16.403 1.00 0.00 C ATOM 1107 O ASN A 508 104.551 -11.343 17.218 1.00 0.00 O ATOM 1108 CB ASN A 508 107.386 -11.145 15.561 1.00 0.00 C ATOM 1109 CG ASN A 508 108.213 -11.889 14.531 1.00 0.00 C ATOM 1110 OD1 ASN A 508 107.798 -12.929 14.019 1.00 0.00 O ATOM 1111 ND2 ASN A 508 109.390 -11.359 14.221 1.00 0.00 N ATOM 0 H ASN A 508 106.418 -9.806 13.714 1.00 0.00 H new ATOM 0 HA ASN A 508 105.583 -12.185 15.048 1.00 0.00 H new ATOM 0 HB2 ASN A 508 107.733 -10.114 15.625 1.00 0.00 H new ATOM 0 HB3 ASN A 508 107.541 -11.595 16.541 1.00 0.00 H new ATOM 0 HD21 ASN A 508 109.990 -11.816 13.534 1.00 0.00 H new ATOM 0 HD22 ASN A 508 109.695 -10.495 14.670 1.00 0.00 H new ATOM 1118 N ALA A 509 105.034 -9.272 16.470 1.00 0.00 N ATOM 1119 CA ALA A 509 104.309 -8.580 17.529 1.00 0.00 C ATOM 1120 C ALA A 509 102.802 -8.625 17.302 1.00 0.00 C ATOM 1121 O ALA A 509 102.017 -8.540 18.247 1.00 0.00 O ATOM 1122 CB ALA A 509 104.770 -7.135 17.641 1.00 0.00 C ATOM 0 H ALA A 509 105.482 -8.651 15.797 1.00 0.00 H new ATOM 0 HA ALA A 509 104.528 -9.099 18.462 1.00 0.00 H new ATOM 0 HB1 ALA A 509 104.216 -6.637 18.437 1.00 0.00 H new ATOM 0 HB2 ALA A 509 105.835 -7.110 17.869 1.00 0.00 H new ATOM 0 HB3 ALA A 509 104.589 -6.621 16.697 1.00 0.00 H new ATOM 1128 N TYR A 510 102.407 -8.729 16.041 1.00 0.00 N ATOM 1129 CA TYR A 510 100.994 -8.751 15.681 1.00 0.00 C ATOM 1130 C TYR A 510 100.228 -9.845 16.410 1.00 0.00 C ATOM 1131 O TYR A 510 99.007 -9.762 16.546 1.00 0.00 O ATOM 1132 CB TYR A 510 100.826 -8.917 14.178 1.00 0.00 C ATOM 1133 CG TYR A 510 100.229 -7.697 13.523 1.00 0.00 C ATOM 1134 CD1 TYR A 510 99.355 -7.810 12.452 1.00 0.00 C ATOM 1135 CD2 TYR A 510 100.544 -6.429 13.988 1.00 0.00 C ATOM 1136 CE1 TYR A 510 98.808 -6.686 11.859 1.00 0.00 C ATOM 1137 CE2 TYR A 510 100.004 -5.300 13.402 1.00 0.00 C ATOM 1138 CZ TYR A 510 99.136 -5.434 12.338 1.00 0.00 C ATOM 1139 OH TYR A 510 98.595 -4.314 11.752 1.00 0.00 O ATOM 0 H TYR A 510 103.045 -8.800 15.248 1.00 0.00 H new ATOM 0 HA TYR A 510 100.576 -7.793 15.990 1.00 0.00 H new ATOM 0 HB2 TYR A 510 101.796 -9.128 13.729 1.00 0.00 H new ATOM 0 HB3 TYR A 510 100.189 -9.779 13.980 1.00 0.00 H new ATOM 0 HD1 TYR A 510 99.098 -8.789 12.076 1.00 0.00 H new ATOM 0 HD2 TYR A 510 101.222 -6.322 14.822 1.00 0.00 H new ATOM 0 HE1 TYR A 510 98.128 -6.788 11.026 1.00 0.00 H new ATOM 0 HE2 TYR A 510 100.260 -4.319 13.775 1.00 0.00 H new ATOM 0 HH TYR A 510 97.661 -4.217 12.032 1.00 0.00 H new ATOM 1149 N THR A 511 100.931 -10.859 16.894 1.00 0.00 N ATOM 1150 CA THR A 511 100.269 -11.931 17.618 1.00 0.00 C ATOM 1151 C THR A 511 99.354 -11.337 18.679 1.00 0.00 C ATOM 1152 O THR A 511 98.265 -11.846 18.943 1.00 0.00 O ATOM 1153 CB THR A 511 101.282 -12.877 18.291 1.00 0.00 C ATOM 1154 OG1 THR A 511 100.643 -13.731 19.247 1.00 0.00 O ATOM 1155 CG2 THR A 511 102.371 -12.088 19.004 1.00 0.00 C ATOM 0 H THR A 511 101.942 -10.961 16.801 1.00 0.00 H new ATOM 0 HA THR A 511 99.691 -12.512 16.900 1.00 0.00 H new ATOM 0 HB THR A 511 101.721 -13.484 17.499 1.00 0.00 H new ATOM 0 HG1 THR A 511 101.310 -14.321 19.656 1.00 0.00 H new ATOM 0 HG21 THR A 511 103.074 -12.778 19.471 1.00 0.00 H new ATOM 0 HG22 THR A 511 102.900 -11.464 18.283 1.00 0.00 H new ATOM 0 HG23 THR A 511 101.921 -11.456 19.769 1.00 0.00 H new ATOM 1163 N GLU A 512 99.822 -10.251 19.285 1.00 0.00 N ATOM 1164 CA GLU A 512 99.071 -9.563 20.329 1.00 0.00 C ATOM 1165 C GLU A 512 97.772 -8.979 19.783 1.00 0.00 C ATOM 1166 O GLU A 512 96.778 -8.878 20.501 1.00 0.00 O ATOM 1167 CB GLU A 512 99.921 -8.449 20.944 1.00 0.00 C ATOM 1168 CG GLU A 512 100.089 -8.569 22.450 1.00 0.00 C ATOM 1169 CD GLU A 512 100.217 -7.220 23.131 1.00 0.00 C ATOM 1170 OE1 GLU A 512 99.326 -6.875 23.935 1.00 0.00 O ATOM 1171 OE2 GLU A 512 101.210 -6.512 22.862 1.00 0.00 O ATOM 0 H GLU A 512 100.724 -9.826 19.069 1.00 0.00 H new ATOM 0 HA GLU A 512 98.821 -10.294 21.098 1.00 0.00 H new ATOM 0 HB2 GLU A 512 100.905 -8.455 20.476 1.00 0.00 H new ATOM 0 HB3 GLU A 512 99.464 -7.486 20.714 1.00 0.00 H new ATOM 0 HG2 GLU A 512 99.234 -9.102 22.866 1.00 0.00 H new ATOM 0 HG3 GLU A 512 100.974 -9.167 22.667 1.00 0.00 H new ATOM 1178 N ILE A 513 97.789 -8.590 18.513 1.00 0.00 N ATOM 1179 CA ILE A 513 96.612 -8.008 17.878 1.00 0.00 C ATOM 1180 C ILE A 513 95.371 -8.860 18.122 1.00 0.00 C ATOM 1181 O ILE A 513 94.312 -8.340 18.472 1.00 0.00 O ATOM 1182 CB ILE A 513 96.818 -7.840 16.361 1.00 0.00 C ATOM 1183 CG1 ILE A 513 97.995 -6.902 16.086 1.00 0.00 C ATOM 1184 CG2 ILE A 513 95.550 -7.311 15.708 1.00 0.00 C ATOM 1185 CD1 ILE A 513 97.673 -5.442 16.321 1.00 0.00 C ATOM 0 H ILE A 513 98.603 -8.667 17.904 1.00 0.00 H new ATOM 0 HA ILE A 513 96.465 -7.026 18.329 1.00 0.00 H new ATOM 0 HB ILE A 513 97.045 -8.815 15.930 1.00 0.00 H new ATOM 0 HG12 ILE A 513 98.833 -7.188 16.722 1.00 0.00 H new ATOM 0 HG13 ILE A 513 98.319 -7.032 15.054 1.00 0.00 H new ATOM 0 HG21 ILE A 513 95.713 -7.198 14.636 1.00 0.00 H new ATOM 0 HG22 ILE A 513 94.733 -8.012 15.879 1.00 0.00 H new ATOM 0 HG23 ILE A 513 95.295 -6.343 16.140 1.00 0.00 H new ATOM 0 HD11 ILE A 513 98.553 -4.836 16.106 1.00 0.00 H new ATOM 0 HD12 ILE A 513 96.856 -5.140 15.666 1.00 0.00 H new ATOM 0 HD13 ILE A 513 97.377 -5.297 17.360 1.00 0.00 H new ATOM 1197 N ASN A 514 95.502 -10.171 17.933 1.00 0.00 N ATOM 1198 CA ASN A 514 94.383 -11.085 18.132 1.00 0.00 C ATOM 1199 C ASN A 514 93.847 -10.998 19.558 1.00 0.00 C ATOM 1200 O ASN A 514 92.683 -11.310 19.813 1.00 0.00 O ATOM 1201 CB ASN A 514 94.811 -12.521 17.822 1.00 0.00 C ATOM 1202 CG ASN A 514 93.752 -13.537 18.208 1.00 0.00 C ATOM 1203 OD1 ASN A 514 94.029 -14.497 18.927 1.00 0.00 O ATOM 1204 ND2 ASN A 514 92.531 -13.329 17.727 1.00 0.00 N ATOM 0 H ASN A 514 96.370 -10.622 17.643 1.00 0.00 H new ATOM 0 HA ASN A 514 93.585 -10.793 17.449 1.00 0.00 H new ATOM 0 HB2 ASN A 514 95.026 -12.611 16.757 1.00 0.00 H new ATOM 0 HB3 ASN A 514 95.736 -12.744 18.354 1.00 0.00 H new ATOM 0 HD21 ASN A 514 91.777 -13.979 17.950 1.00 0.00 H new ATOM 0 HD22 ASN A 514 92.347 -12.519 17.135 1.00 0.00 H new ATOM 1211 N LYS A 515 94.700 -10.572 20.484 1.00 0.00 N ATOM 1212 CA LYS A 515 94.306 -10.444 21.883 1.00 0.00 C ATOM 1213 C LYS A 515 93.042 -9.603 22.015 1.00 0.00 C ATOM 1214 O LYS A 515 92.335 -9.675 23.020 1.00 0.00 O ATOM 1215 CB LYS A 515 95.438 -9.819 22.698 1.00 0.00 C ATOM 1216 CG LYS A 515 96.753 -10.572 22.584 1.00 0.00 C ATOM 1217 CD LYS A 515 96.946 -11.535 23.745 1.00 0.00 C ATOM 1218 CE LYS A 515 96.383 -12.911 23.428 1.00 0.00 C ATOM 1219 NZ LYS A 515 97.390 -13.783 22.763 1.00 0.00 N ATOM 0 H LYS A 515 95.667 -10.310 20.292 1.00 0.00 H new ATOM 0 HA LYS A 515 94.099 -11.442 22.270 1.00 0.00 H new ATOM 0 HB2 LYS A 515 95.587 -8.791 22.369 1.00 0.00 H new ATOM 0 HB3 LYS A 515 95.141 -9.778 23.746 1.00 0.00 H new ATOM 0 HG2 LYS A 515 96.777 -11.124 21.644 1.00 0.00 H new ATOM 0 HG3 LYS A 515 97.579 -9.862 22.558 1.00 0.00 H new ATOM 0 HD2 LYS A 515 98.008 -11.620 23.976 1.00 0.00 H new ATOM 0 HD3 LYS A 515 96.457 -11.137 24.634 1.00 0.00 H new ATOM 0 HE2 LYS A 515 96.044 -13.385 24.349 1.00 0.00 H new ATOM 0 HE3 LYS A 515 95.511 -12.807 22.783 1.00 0.00 H new ATOM 0 HZ1 LYS A 515 96.967 -14.712 22.564 1.00 0.00 H new ATOM 0 HZ2 LYS A 515 97.696 -13.343 21.872 1.00 0.00 H new ATOM 0 HZ3 LYS A 515 98.212 -13.904 23.389 1.00 0.00 H new ATOM 1233 N LYS A 516 92.762 -8.809 20.987 1.00 0.00 N ATOM 1234 CA LYS A 516 91.581 -7.955 20.976 1.00 0.00 C ATOM 1235 C LYS A 516 90.728 -8.240 19.746 1.00 0.00 C ATOM 1236 O LYS A 516 89.500 -8.301 19.826 1.00 0.00 O ATOM 1237 CB LYS A 516 91.991 -6.482 20.998 1.00 0.00 C ATOM 1238 CG LYS A 516 90.908 -5.557 21.528 1.00 0.00 C ATOM 1239 CD LYS A 516 90.918 -5.500 23.047 1.00 0.00 C ATOM 1240 CE LYS A 516 90.403 -6.793 23.658 1.00 0.00 C ATOM 1241 NZ LYS A 516 89.799 -6.571 25.000 1.00 0.00 N ATOM 0 H LYS A 516 93.339 -8.739 20.149 1.00 0.00 H new ATOM 0 HA LYS A 516 90.992 -8.171 21.868 1.00 0.00 H new ATOM 0 HB2 LYS A 516 92.884 -6.371 21.613 1.00 0.00 H new ATOM 0 HB3 LYS A 516 92.259 -6.173 19.988 1.00 0.00 H new ATOM 0 HG2 LYS A 516 91.054 -4.555 21.124 1.00 0.00 H new ATOM 0 HG3 LYS A 516 89.933 -5.901 21.182 1.00 0.00 H new ATOM 0 HD2 LYS A 516 91.932 -5.310 23.398 1.00 0.00 H new ATOM 0 HD3 LYS A 516 90.302 -4.667 23.385 1.00 0.00 H new ATOM 0 HE2 LYS A 516 89.661 -7.237 22.995 1.00 0.00 H new ATOM 0 HE3 LYS A 516 91.223 -7.506 23.742 1.00 0.00 H new ATOM 0 HZ1 LYS A 516 89.460 -7.477 25.382 1.00 0.00 H new ATOM 0 HZ2 LYS A 516 90.514 -6.171 25.641 1.00 0.00 H new ATOM 0 HZ3 LYS A 516 89.000 -5.910 24.916 1.00 0.00 H new ATOM 1255 N HIS A 517 91.391 -8.419 18.608 1.00 0.00 N ATOM 1256 CA HIS A 517 90.703 -8.704 17.355 1.00 0.00 C ATOM 1257 C HIS A 517 91.615 -9.478 16.409 1.00 0.00 C ATOM 1258 O HIS A 517 92.745 -9.068 16.148 1.00 0.00 O ATOM 1259 CB HIS A 517 90.243 -7.405 16.692 1.00 0.00 C ATOM 1260 CG HIS A 517 90.048 -6.277 17.656 1.00 0.00 C ATOM 1261 ND1 HIS A 517 88.857 -6.044 18.311 1.00 0.00 N ATOM 1262 CD2 HIS A 517 90.903 -5.314 18.078 1.00 0.00 C ATOM 1263 CE1 HIS A 517 88.987 -4.987 19.094 1.00 0.00 C ATOM 1264 NE2 HIS A 517 90.217 -4.527 18.970 1.00 0.00 N ATOM 0 H HIS A 517 92.407 -8.371 18.528 1.00 0.00 H new ATOM 0 HA HIS A 517 89.828 -9.315 17.576 1.00 0.00 H new ATOM 0 HB2 HIS A 517 90.978 -7.109 15.943 1.00 0.00 H new ATOM 0 HB3 HIS A 517 89.306 -7.588 16.165 1.00 0.00 H new ATOM 0 HD1 HIS A 517 88.008 -6.600 18.207 1.00 0.00 H new ATOM 0 HD2 HIS A 517 91.931 -5.189 17.771 1.00 0.00 H new ATOM 0 HE1 HIS A 517 88.217 -4.571 19.727 1.00 0.00 H new ATOM 1273 N CYS A 518 91.117 -10.600 15.897 1.00 0.00 N ATOM 1274 CA CYS A 518 91.891 -11.427 14.978 1.00 0.00 C ATOM 1275 C CYS A 518 92.278 -10.633 13.736 1.00 0.00 C ATOM 1276 O CYS A 518 91.415 -10.133 13.016 1.00 0.00 O ATOM 1277 CB CYS A 518 91.090 -12.668 14.580 1.00 0.00 C ATOM 1278 SG CYS A 518 92.104 -14.037 13.973 1.00 0.00 S ATOM 0 H CYS A 518 90.184 -10.956 16.102 1.00 0.00 H new ATOM 0 HA CYS A 518 92.803 -11.742 15.485 1.00 0.00 H new ATOM 0 HB2 CYS A 518 90.516 -13.009 15.442 1.00 0.00 H new ATOM 0 HB3 CYS A 518 90.372 -12.392 13.808 1.00 0.00 H new ATOM 0 HG CYS A 518 91.338 -15.041 13.664 1.00 0.00 H new ATOM 1284 N TRP A 519 93.580 -10.515 13.491 1.00 0.00 N ATOM 1285 CA TRP A 519 94.070 -9.772 12.335 1.00 0.00 C ATOM 1286 C TRP A 519 95.115 -10.560 11.563 1.00 0.00 C ATOM 1287 O TRP A 519 95.935 -11.272 12.141 1.00 0.00 O ATOM 1288 CB TRP A 519 94.651 -8.431 12.769 1.00 0.00 C ATOM 1289 CG TRP A 519 94.304 -7.324 11.831 1.00 0.00 C ATOM 1290 CD1 TRP A 519 93.579 -7.433 10.684 1.00 0.00 C ATOM 1291 CD2 TRP A 519 94.663 -5.943 11.954 1.00 0.00 C ATOM 1292 NE1 TRP A 519 93.456 -6.211 10.085 1.00 0.00 N ATOM 1293 CE2 TRP A 519 94.115 -5.273 10.843 1.00 0.00 C ATOM 1294 CE3 TRP A 519 95.392 -5.208 12.893 1.00 0.00 C ATOM 1295 CZ2 TRP A 519 94.273 -3.901 10.651 1.00 0.00 C ATOM 1296 CZ3 TRP A 519 95.549 -3.850 12.699 1.00 0.00 C ATOM 1297 CH2 TRP A 519 94.991 -3.210 11.587 1.00 0.00 C ATOM 0 H TRP A 519 94.311 -10.922 14.074 1.00 0.00 H new ATOM 0 HA TRP A 519 93.220 -9.600 11.675 1.00 0.00 H new ATOM 0 HB2 TRP A 519 94.284 -8.186 13.766 1.00 0.00 H new ATOM 0 HB3 TRP A 519 95.735 -8.515 12.840 1.00 0.00 H new ATOM 0 HD1 TRP A 519 93.161 -8.353 10.302 1.00 0.00 H new ATOM 0 HE1 TRP A 519 92.956 -6.025 9.216 1.00 0.00 H new ATOM 0 HE3 TRP A 519 95.825 -5.694 13.755 1.00 0.00 H new ATOM 0 HZ2 TRP A 519 93.844 -3.403 9.794 1.00 0.00 H new ATOM 0 HZ3 TRP A 519 96.112 -3.272 13.417 1.00 0.00 H new ATOM 0 HH2 TRP A 519 95.131 -2.146 11.465 1.00 0.00 H new ATOM 1308 N LYS A 520 95.068 -10.421 10.246 1.00 0.00 N ATOM 1309 CA LYS A 520 95.997 -11.110 9.363 1.00 0.00 C ATOM 1310 C LYS A 520 96.982 -10.134 8.729 1.00 0.00 C ATOM 1311 O LYS A 520 96.579 -9.174 8.076 1.00 0.00 O ATOM 1312 CB LYS A 520 95.216 -11.826 8.271 1.00 0.00 C ATOM 1313 CG LYS A 520 93.846 -12.303 8.723 1.00 0.00 C ATOM 1314 CD LYS A 520 93.954 -13.484 9.674 1.00 0.00 C ATOM 1315 CE LYS A 520 92.699 -13.638 10.519 1.00 0.00 C ATOM 1316 NZ LYS A 520 92.331 -15.068 10.710 1.00 0.00 N ATOM 0 H LYS A 520 94.390 -9.832 9.762 1.00 0.00 H new ATOM 0 HA LYS A 520 96.564 -11.830 9.953 1.00 0.00 H new ATOM 0 HB2 LYS A 520 95.097 -11.155 7.420 1.00 0.00 H new ATOM 0 HB3 LYS A 520 95.794 -12.682 7.923 1.00 0.00 H new ATOM 0 HG2 LYS A 520 93.319 -11.485 9.215 1.00 0.00 H new ATOM 0 HG3 LYS A 520 93.253 -12.587 7.854 1.00 0.00 H new ATOM 0 HD2 LYS A 520 94.124 -14.397 9.103 1.00 0.00 H new ATOM 0 HD3 LYS A 520 94.818 -13.350 10.325 1.00 0.00 H new ATOM 0 HE2 LYS A 520 92.856 -13.171 11.491 1.00 0.00 H new ATOM 0 HE3 LYS A 520 91.873 -13.111 10.042 1.00 0.00 H new ATOM 0 HZ1 LYS A 520 91.503 -15.295 10.123 1.00 0.00 H new ATOM 0 HZ2 LYS A 520 93.130 -15.672 10.430 1.00 0.00 H new ATOM 0 HZ3 LYS A 520 92.103 -15.237 11.710 1.00 0.00 H new ATOM 1330 N LEU A 521 98.270 -10.385 8.909 1.00 0.00 N ATOM 1331 CA LEU A 521 99.292 -9.524 8.331 1.00 0.00 C ATOM 1332 C LEU A 521 100.430 -10.352 7.739 1.00 0.00 C ATOM 1333 O LEU A 521 101.241 -10.926 8.467 1.00 0.00 O ATOM 1334 CB LEU A 521 99.812 -8.537 9.383 1.00 0.00 C ATOM 1335 CG LEU A 521 101.250 -8.755 9.858 1.00 0.00 C ATOM 1336 CD1 LEU A 521 101.795 -7.481 10.482 1.00 0.00 C ATOM 1337 CD2 LEU A 521 101.314 -9.908 10.849 1.00 0.00 C ATOM 0 H LEU A 521 98.631 -11.173 9.447 1.00 0.00 H new ATOM 0 HA LEU A 521 98.845 -8.951 7.518 1.00 0.00 H new ATOM 0 HB2 LEU A 521 99.734 -7.529 8.976 1.00 0.00 H new ATOM 0 HB3 LEU A 521 99.154 -8.582 10.251 1.00 0.00 H new ATOM 0 HG LEU A 521 101.868 -9.011 8.997 1.00 0.00 H new ATOM 0 HD11 LEU A 521 102.819 -7.649 10.816 1.00 0.00 H new ATOM 0 HD12 LEU A 521 101.781 -6.679 9.744 1.00 0.00 H new ATOM 0 HD13 LEU A 521 101.177 -7.200 11.334 1.00 0.00 H new ATOM 0 HD21 LEU A 521 102.344 -10.049 11.177 1.00 0.00 H new ATOM 0 HD22 LEU A 521 100.687 -9.682 11.711 1.00 0.00 H new ATOM 0 HD23 LEU A 521 100.957 -10.820 10.370 1.00 0.00 H new ATOM 1349 N GLU A 522 100.478 -10.412 6.411 1.00 0.00 N ATOM 1350 CA GLU A 522 101.511 -11.173 5.716 1.00 0.00 C ATOM 1351 C GLU A 522 102.474 -10.245 4.982 1.00 0.00 C ATOM 1352 O GLU A 522 102.054 -9.299 4.315 1.00 0.00 O ATOM 1353 CB GLU A 522 100.874 -12.150 4.727 1.00 0.00 C ATOM 1354 CG GLU A 522 101.529 -13.522 4.722 1.00 0.00 C ATOM 1355 CD GLU A 522 101.389 -14.239 6.050 1.00 0.00 C ATOM 1356 OE1 GLU A 522 101.638 -15.463 6.092 1.00 0.00 O ATOM 1357 OE2 GLU A 522 101.032 -13.579 7.048 1.00 0.00 O ATOM 0 H GLU A 522 99.814 -9.943 5.795 1.00 0.00 H new ATOM 0 HA GLU A 522 102.075 -11.734 6.461 1.00 0.00 H new ATOM 0 HB2 GLU A 522 99.817 -12.262 4.969 1.00 0.00 H new ATOM 0 HB3 GLU A 522 100.929 -11.727 3.724 1.00 0.00 H new ATOM 0 HG2 GLU A 522 101.083 -14.131 3.936 1.00 0.00 H new ATOM 0 HG3 GLU A 522 102.587 -13.415 4.481 1.00 0.00 H new ATOM 1364 N ILE A 523 103.766 -10.521 5.110 1.00 0.00 N ATOM 1365 CA ILE A 523 104.791 -9.712 4.460 1.00 0.00 C ATOM 1366 C ILE A 523 105.090 -10.229 3.057 1.00 0.00 C ATOM 1367 O ILE A 523 105.554 -11.356 2.888 1.00 0.00 O ATOM 1368 CB ILE A 523 106.096 -9.701 5.277 1.00 0.00 C ATOM 1369 CG1 ILE A 523 105.803 -9.368 6.741 1.00 0.00 C ATOM 1370 CG2 ILE A 523 107.082 -8.704 4.687 1.00 0.00 C ATOM 1371 CD1 ILE A 523 106.985 -9.587 7.659 1.00 0.00 C ATOM 0 H ILE A 523 104.130 -11.300 5.659 1.00 0.00 H new ATOM 0 HA ILE A 523 104.400 -8.696 4.396 1.00 0.00 H new ATOM 0 HB ILE A 523 106.544 -10.694 5.233 1.00 0.00 H new ATOM 0 HG12 ILE A 523 105.486 -8.328 6.812 1.00 0.00 H new ATOM 0 HG13 ILE A 523 104.969 -9.980 7.084 1.00 0.00 H new ATOM 0 HG21 ILE A 523 107.999 -8.708 5.276 1.00 0.00 H new ATOM 0 HG22 ILE A 523 107.310 -8.983 3.658 1.00 0.00 H new ATOM 0 HG23 ILE A 523 106.644 -7.706 4.704 1.00 0.00 H new ATOM 0 HD11 ILE A 523 106.705 -9.331 8.681 1.00 0.00 H new ATOM 0 HD12 ILE A 523 107.289 -10.633 7.618 1.00 0.00 H new ATOM 0 HD13 ILE A 523 107.814 -8.955 7.341 1.00 0.00 H new ATOM 1383 N LEU A 524 104.826 -9.398 2.053 1.00 0.00 N ATOM 1384 CA LEU A 524 105.075 -9.778 0.667 1.00 0.00 C ATOM 1385 C LEU A 524 106.563 -10.010 0.433 1.00 0.00 C ATOM 1386 O LEU A 524 107.404 -9.278 0.954 1.00 0.00 O ATOM 1387 CB LEU A 524 104.555 -8.697 -0.283 1.00 0.00 C ATOM 1388 CG LEU A 524 103.035 -8.664 -0.455 1.00 0.00 C ATOM 1389 CD1 LEU A 524 102.661 -7.960 -1.750 1.00 0.00 C ATOM 1390 CD2 LEU A 524 102.466 -10.075 -0.427 1.00 0.00 C ATOM 0 H LEU A 524 104.441 -8.461 2.173 1.00 0.00 H new ATOM 0 HA LEU A 524 104.543 -10.708 0.466 1.00 0.00 H new ATOM 0 HB2 LEU A 524 104.885 -7.724 0.082 1.00 0.00 H new ATOM 0 HB3 LEU A 524 105.013 -8.843 -1.261 1.00 0.00 H new ATOM 0 HG LEU A 524 102.605 -8.104 0.375 1.00 0.00 H new ATOM 0 HD11 LEU A 524 101.576 -7.946 -1.856 1.00 0.00 H new ATOM 0 HD12 LEU A 524 103.037 -6.937 -1.730 1.00 0.00 H new ATOM 0 HD13 LEU A 524 103.101 -8.492 -2.594 1.00 0.00 H new ATOM 0 HD21 LEU A 524 101.384 -10.033 -0.551 1.00 0.00 H new ATOM 0 HD22 LEU A 524 102.902 -10.659 -1.238 1.00 0.00 H new ATOM 0 HD23 LEU A 524 102.704 -10.545 0.527 1.00 0.00 H new ATOM 1402 N SER A 525 106.883 -11.041 -0.342 1.00 0.00 N ATOM 1403 CA SER A 525 108.272 -11.378 -0.629 1.00 0.00 C ATOM 1404 C SER A 525 108.438 -11.883 -2.058 1.00 0.00 C ATOM 1405 O SER A 525 107.475 -12.305 -2.697 1.00 0.00 O ATOM 1406 CB SER A 525 108.780 -12.430 0.356 1.00 0.00 C ATOM 1407 OG SER A 525 109.732 -13.285 -0.255 1.00 0.00 O ATOM 0 H SER A 525 106.200 -11.657 -0.782 1.00 0.00 H new ATOM 0 HA SER A 525 108.862 -10.468 -0.518 1.00 0.00 H new ATOM 0 HB2 SER A 525 109.230 -11.938 1.218 1.00 0.00 H new ATOM 0 HB3 SER A 525 107.942 -13.020 0.727 1.00 0.00 H new ATOM 0 HG SER A 525 110.042 -13.948 0.397 1.00 0.00 H new ATOM 1413 N GLY A 526 109.674 -11.846 -2.545 1.00 0.00 N ATOM 1414 CA GLY A 526 109.960 -12.311 -3.889 1.00 0.00 C ATOM 1415 C GLY A 526 109.048 -11.702 -4.930 1.00 0.00 C ATOM 1416 O GLY A 526 108.638 -10.547 -4.810 1.00 0.00 O ATOM 0 H GLY A 526 110.485 -11.501 -2.031 1.00 0.00 H new ATOM 0 HA2 GLY A 526 110.995 -12.075 -4.137 1.00 0.00 H new ATOM 0 HA3 GLY A 526 109.865 -13.396 -3.920 1.00 0.00 H new ATOM 1420 N ASP A 527 108.730 -12.479 -5.961 1.00 0.00 N ATOM 1421 CA ASP A 527 107.866 -12.006 -7.031 1.00 0.00 C ATOM 1422 C ASP A 527 106.613 -11.345 -6.466 1.00 0.00 C ATOM 1423 O ASP A 527 106.066 -10.420 -7.066 1.00 0.00 O ATOM 1424 CB ASP A 527 107.474 -13.166 -7.950 1.00 0.00 C ATOM 1425 CG ASP A 527 107.950 -12.960 -9.375 1.00 0.00 C ATOM 1426 OD1 ASP A 527 107.170 -12.428 -10.191 1.00 0.00 O ATOM 1427 OD2 ASP A 527 109.105 -13.333 -9.674 1.00 0.00 O ATOM 0 H ASP A 527 109.059 -13.438 -6.076 1.00 0.00 H new ATOM 0 HA ASP A 527 108.418 -11.264 -7.609 1.00 0.00 H new ATOM 0 HB2 ASP A 527 107.894 -14.093 -7.560 1.00 0.00 H new ATOM 0 HB3 ASP A 527 106.390 -13.280 -7.945 1.00 0.00 H new ATOM 1432 N HIS A 528 106.164 -11.819 -5.307 1.00 0.00 N ATOM 1433 CA HIS A 528 104.978 -11.256 -4.670 1.00 0.00 C ATOM 1434 C HIS A 528 105.222 -9.810 -4.246 1.00 0.00 C ATOM 1435 O HIS A 528 104.398 -8.930 -4.499 1.00 0.00 O ATOM 1436 CB HIS A 528 104.574 -12.096 -3.458 1.00 0.00 C ATOM 1437 CG HIS A 528 103.093 -12.200 -3.270 1.00 0.00 C ATOM 1438 ND1 HIS A 528 102.513 -12.728 -2.136 1.00 0.00 N ATOM 1439 CD2 HIS A 528 102.070 -11.843 -4.082 1.00 0.00 C ATOM 1440 CE1 HIS A 528 101.197 -12.694 -2.260 1.00 0.00 C ATOM 1441 NE2 HIS A 528 100.903 -12.160 -3.431 1.00 0.00 N ATOM 0 H HIS A 528 106.599 -12.585 -4.794 1.00 0.00 H new ATOM 0 HA HIS A 528 104.166 -11.270 -5.397 1.00 0.00 H new ATOM 0 HB2 HIS A 528 104.990 -13.098 -3.566 1.00 0.00 H new ATOM 0 HB3 HIS A 528 105.016 -11.662 -2.561 1.00 0.00 H new ATOM 0 HD2 HIS A 528 102.156 -11.393 -5.060 1.00 0.00 H new ATOM 0 HE1 HIS A 528 100.484 -13.044 -1.528 1.00 0.00 H new ATOM 0 HE2 HIS A 528 99.962 -12.008 -3.793 1.00 0.00 H new ATOM 1450 N GLU A 529 106.366 -9.571 -3.606 1.00 0.00 N ATOM 1451 CA GLU A 529 106.721 -8.230 -3.155 1.00 0.00 C ATOM 1452 C GLU A 529 106.984 -7.321 -4.350 1.00 0.00 C ATOM 1453 O GLU A 529 106.505 -6.188 -4.408 1.00 0.00 O ATOM 1454 CB GLU A 529 107.954 -8.294 -2.241 1.00 0.00 C ATOM 1455 CG GLU A 529 109.273 -8.041 -2.956 1.00 0.00 C ATOM 1456 CD GLU A 529 110.474 -8.286 -2.063 1.00 0.00 C ATOM 1457 OE1 GLU A 529 111.594 -7.897 -2.454 1.00 0.00 O ATOM 1458 OE2 GLU A 529 110.294 -8.867 -0.972 1.00 0.00 O ATOM 0 H GLU A 529 107.059 -10.287 -3.390 1.00 0.00 H new ATOM 0 HA GLU A 529 105.888 -7.815 -2.588 1.00 0.00 H new ATOM 0 HB2 GLU A 529 107.839 -7.560 -1.443 1.00 0.00 H new ATOM 0 HB3 GLU A 529 107.992 -9.276 -1.769 1.00 0.00 H new ATOM 0 HG2 GLU A 529 109.338 -8.687 -3.832 1.00 0.00 H new ATOM 0 HG3 GLU A 529 109.296 -7.012 -3.316 1.00 0.00 H new ATOM 1465 N GLN A 530 107.746 -7.840 -5.306 1.00 0.00 N ATOM 1466 CA GLN A 530 108.080 -7.098 -6.516 1.00 0.00 C ATOM 1467 C GLN A 530 106.826 -6.810 -7.335 1.00 0.00 C ATOM 1468 O GLN A 530 106.705 -5.754 -7.957 1.00 0.00 O ATOM 1469 CB GLN A 530 109.090 -7.889 -7.352 1.00 0.00 C ATOM 1470 CG GLN A 530 109.083 -7.532 -8.830 1.00 0.00 C ATOM 1471 CD GLN A 530 108.512 -8.641 -9.693 1.00 0.00 C ATOM 1472 OE1 GLN A 530 109.175 -9.644 -9.953 1.00 0.00 O ATOM 1473 NE2 GLN A 530 107.274 -8.465 -10.142 1.00 0.00 N ATOM 0 H GLN A 530 108.146 -8.777 -5.266 1.00 0.00 H new ATOM 0 HA GLN A 530 108.526 -6.146 -6.228 1.00 0.00 H new ATOM 0 HB2 GLN A 530 110.090 -7.719 -6.952 1.00 0.00 H new ATOM 0 HB3 GLN A 530 108.881 -8.953 -7.245 1.00 0.00 H new ATOM 0 HG2 GLN A 530 108.499 -6.624 -8.978 1.00 0.00 H new ATOM 0 HG3 GLN A 530 110.101 -7.313 -9.152 1.00 0.00 H new ATOM 0 HE21 GLN A 530 106.760 -7.617 -9.902 1.00 0.00 H new ATOM 0 HE22 GLN A 530 106.838 -9.178 -10.727 1.00 0.00 H new ATOM 1482 N ARG A 531 105.902 -7.763 -7.336 1.00 0.00 N ATOM 1483 CA ARG A 531 104.659 -7.629 -8.083 1.00 0.00 C ATOM 1484 C ARG A 531 103.827 -6.457 -7.575 1.00 0.00 C ATOM 1485 O ARG A 531 103.380 -5.619 -8.358 1.00 0.00 O ATOM 1486 CB ARG A 531 103.848 -8.922 -7.993 1.00 0.00 C ATOM 1487 CG ARG A 531 102.399 -8.764 -8.425 1.00 0.00 C ATOM 1488 CD ARG A 531 101.467 -8.672 -7.227 1.00 0.00 C ATOM 1489 NE ARG A 531 100.095 -8.369 -7.623 1.00 0.00 N ATOM 1490 CZ ARG A 531 99.126 -8.077 -6.760 1.00 0.00 C ATOM 1491 NH1 ARG A 531 99.381 -8.046 -5.460 1.00 0.00 N ATOM 1492 NH2 ARG A 531 97.902 -7.816 -7.197 1.00 0.00 N ATOM 0 H ARG A 531 105.992 -8.641 -6.825 1.00 0.00 H new ATOM 0 HA ARG A 531 104.915 -7.435 -9.124 1.00 0.00 H new ATOM 0 HB2 ARG A 531 104.322 -9.682 -8.614 1.00 0.00 H new ATOM 0 HB3 ARG A 531 103.874 -9.287 -6.966 1.00 0.00 H new ATOM 0 HG2 ARG A 531 102.296 -7.868 -9.037 1.00 0.00 H new ATOM 0 HG3 ARG A 531 102.110 -9.610 -9.048 1.00 0.00 H new ATOM 0 HD2 ARG A 531 101.486 -9.614 -6.679 1.00 0.00 H new ATOM 0 HD3 ARG A 531 101.827 -7.900 -6.546 1.00 0.00 H new ATOM 0 HE ARG A 531 99.867 -8.382 -8.617 1.00 0.00 H new ATOM 0 HH11 ARG A 531 100.322 -8.246 -5.120 1.00 0.00 H new ATOM 0 HH12 ARG A 531 98.637 -7.822 -4.800 1.00 0.00 H new ATOM 0 HH21 ARG A 531 97.702 -7.839 -8.197 1.00 0.00 H new ATOM 0 HH22 ARG A 531 97.160 -7.592 -6.533 1.00 0.00 H new ATOM 1506 N TYR A 532 103.611 -6.406 -6.264 1.00 0.00 N ATOM 1507 CA TYR A 532 102.820 -5.334 -5.671 1.00 0.00 C ATOM 1508 C TYR A 532 103.459 -3.972 -5.930 1.00 0.00 C ATOM 1509 O TYR A 532 102.776 -3.010 -6.290 1.00 0.00 O ATOM 1510 CB TYR A 532 102.659 -5.557 -4.168 1.00 0.00 C ATOM 1511 CG TYR A 532 101.777 -4.526 -3.505 1.00 0.00 C ATOM 1512 CD1 TYR A 532 102.221 -3.224 -3.324 1.00 0.00 C ATOM 1513 CD2 TYR A 532 100.499 -4.852 -3.069 1.00 0.00 C ATOM 1514 CE1 TYR A 532 101.418 -2.274 -2.728 1.00 0.00 C ATOM 1515 CE2 TYR A 532 99.689 -3.907 -2.470 1.00 0.00 C ATOM 1516 CZ TYR A 532 100.152 -2.619 -2.302 1.00 0.00 C ATOM 1517 OH TYR A 532 99.348 -1.673 -1.708 1.00 0.00 O ATOM 0 H TYR A 532 103.970 -7.089 -5.597 1.00 0.00 H new ATOM 0 HA TYR A 532 101.836 -5.347 -6.140 1.00 0.00 H new ATOM 0 HB2 TYR A 532 102.240 -6.548 -3.997 1.00 0.00 H new ATOM 0 HB3 TYR A 532 103.642 -5.541 -3.697 1.00 0.00 H new ATOM 0 HD1 TYR A 532 103.212 -2.950 -3.655 1.00 0.00 H new ATOM 0 HD2 TYR A 532 100.133 -5.860 -3.200 1.00 0.00 H new ATOM 0 HE1 TYR A 532 101.779 -1.265 -2.595 1.00 0.00 H new ATOM 0 HE2 TYR A 532 98.698 -4.176 -2.135 1.00 0.00 H new ATOM 0 HH TYR A 532 98.838 -1.198 -2.397 1.00 0.00 H new ATOM 1527 N TRP A 533 104.772 -3.892 -5.760 1.00 0.00 N ATOM 1528 CA TRP A 533 105.479 -2.644 -5.995 1.00 0.00 C ATOM 1529 C TRP A 533 105.339 -2.230 -7.453 1.00 0.00 C ATOM 1530 O TRP A 533 105.271 -1.041 -7.770 1.00 0.00 O ATOM 1531 CB TRP A 533 106.950 -2.773 -5.606 1.00 0.00 C ATOM 1532 CG TRP A 533 107.198 -2.423 -4.170 1.00 0.00 C ATOM 1533 CD1 TRP A 533 107.659 -3.253 -3.190 1.00 0.00 C ATOM 1534 CD2 TRP A 533 106.984 -1.150 -3.551 1.00 0.00 C ATOM 1535 NE1 TRP A 533 107.747 -2.575 -2.000 1.00 0.00 N ATOM 1536 CE2 TRP A 533 107.338 -1.280 -2.194 1.00 0.00 C ATOM 1537 CE3 TRP A 533 106.529 0.089 -4.012 1.00 0.00 C ATOM 1538 CZ2 TRP A 533 107.250 -0.218 -1.297 1.00 0.00 C ATOM 1539 CZ3 TRP A 533 106.442 1.141 -3.121 1.00 0.00 C ATOM 1540 CH2 TRP A 533 106.800 0.982 -1.777 1.00 0.00 C ATOM 0 H TRP A 533 105.363 -4.669 -5.463 1.00 0.00 H new ATOM 0 HA TRP A 533 105.035 -1.869 -5.370 1.00 0.00 H new ATOM 0 HB2 TRP A 533 107.283 -3.795 -5.790 1.00 0.00 H new ATOM 0 HB3 TRP A 533 107.549 -2.123 -6.244 1.00 0.00 H new ATOM 0 HD1 TRP A 533 107.917 -4.292 -3.330 1.00 0.00 H new ATOM 0 HE1 TRP A 533 108.065 -2.970 -1.115 1.00 0.00 H new ATOM 0 HE3 TRP A 533 106.250 0.221 -5.047 1.00 0.00 H new ATOM 0 HZ2 TRP A 533 107.527 -0.337 -0.260 1.00 0.00 H new ATOM 0 HZ3 TRP A 533 106.092 2.102 -3.467 1.00 0.00 H new ATOM 0 HH2 TRP A 533 106.719 1.824 -1.105 1.00 0.00 H new ATOM 1551 N GLN A 534 105.275 -3.222 -8.336 1.00 0.00 N ATOM 1552 CA GLN A 534 105.116 -2.964 -9.760 1.00 0.00 C ATOM 1553 C GLN A 534 103.817 -2.210 -10.002 1.00 0.00 C ATOM 1554 O GLN A 534 103.765 -1.271 -10.799 1.00 0.00 O ATOM 1555 CB GLN A 534 105.116 -4.274 -10.548 1.00 0.00 C ATOM 1556 CG GLN A 534 106.507 -4.815 -10.829 1.00 0.00 C ATOM 1557 CD GLN A 534 106.783 -4.979 -12.313 1.00 0.00 C ATOM 1558 OE1 GLN A 534 107.404 -5.953 -12.736 1.00 0.00 O ATOM 1559 NE2 GLN A 534 106.318 -4.024 -13.111 1.00 0.00 N ATOM 0 H GLN A 534 105.331 -4.210 -8.089 1.00 0.00 H new ATOM 0 HA GLN A 534 105.955 -2.357 -10.102 1.00 0.00 H new ATOM 0 HB2 GLN A 534 104.550 -5.022 -9.993 1.00 0.00 H new ATOM 0 HB3 GLN A 534 104.598 -4.119 -11.494 1.00 0.00 H new ATOM 0 HG2 GLN A 534 107.248 -4.142 -10.398 1.00 0.00 H new ATOM 0 HG3 GLN A 534 106.625 -5.778 -10.333 1.00 0.00 H new ATOM 0 HE21 GLN A 534 105.808 -3.234 -12.717 1.00 0.00 H new ATOM 0 HE22 GLN A 534 106.471 -4.081 -14.118 1.00 0.00 H new ATOM 1568 N LYS A 535 102.770 -2.621 -9.292 1.00 0.00 N ATOM 1569 CA LYS A 535 101.469 -1.973 -9.411 1.00 0.00 C ATOM 1570 C LYS A 535 101.576 -0.521 -8.969 1.00 0.00 C ATOM 1571 O LYS A 535 100.991 0.373 -9.581 1.00 0.00 O ATOM 1572 CB LYS A 535 100.400 -2.684 -8.566 1.00 0.00 C ATOM 1573 CG LYS A 535 100.733 -4.122 -8.183 1.00 0.00 C ATOM 1574 CD LYS A 535 99.628 -4.747 -7.340 1.00 0.00 C ATOM 1575 CE LYS A 535 98.984 -3.732 -6.408 1.00 0.00 C ATOM 1576 NZ LYS A 535 97.889 -4.337 -5.600 1.00 0.00 N ATOM 0 H LYS A 535 102.797 -3.397 -8.631 1.00 0.00 H new ATOM 0 HA LYS A 535 101.166 -2.027 -10.457 1.00 0.00 H new ATOM 0 HB2 LYS A 535 100.238 -2.109 -7.654 1.00 0.00 H new ATOM 0 HB3 LYS A 535 99.460 -2.679 -9.118 1.00 0.00 H new ATOM 0 HG2 LYS A 535 100.882 -4.714 -9.086 1.00 0.00 H new ATOM 0 HG3 LYS A 535 101.671 -4.144 -7.629 1.00 0.00 H new ATOM 0 HD2 LYS A 535 98.868 -5.172 -7.995 1.00 0.00 H new ATOM 0 HD3 LYS A 535 100.039 -5.569 -6.754 1.00 0.00 H new ATOM 0 HE2 LYS A 535 99.741 -3.319 -5.742 1.00 0.00 H new ATOM 0 HE3 LYS A 535 98.588 -2.902 -6.993 1.00 0.00 H new ATOM 0 HZ1 LYS A 535 97.019 -3.781 -5.723 1.00 0.00 H new ATOM 0 HZ2 LYS A 535 97.723 -5.314 -5.916 1.00 0.00 H new ATOM 0 HZ3 LYS A 535 98.159 -4.339 -4.596 1.00 0.00 H new ATOM 1590 N ILE A 536 102.335 -0.296 -7.900 1.00 0.00 N ATOM 1591 CA ILE A 536 102.528 1.049 -7.368 1.00 0.00 C ATOM 1592 C ILE A 536 103.197 1.955 -8.395 1.00 0.00 C ATOM 1593 O ILE A 536 102.777 3.095 -8.601 1.00 0.00 O ATOM 1594 CB ILE A 536 103.386 1.026 -6.087 1.00 0.00 C ATOM 1595 CG1 ILE A 536 102.742 0.129 -5.029 1.00 0.00 C ATOM 1596 CG2 ILE A 536 103.575 2.436 -5.549 1.00 0.00 C ATOM 1597 CD1 ILE A 536 103.432 0.194 -3.683 1.00 0.00 C ATOM 0 H ILE A 536 102.826 -1.027 -7.386 1.00 0.00 H new ATOM 0 HA ILE A 536 101.539 1.441 -7.130 1.00 0.00 H new ATOM 0 HB ILE A 536 104.366 0.618 -6.334 1.00 0.00 H new ATOM 0 HG12 ILE A 536 101.697 0.416 -4.907 1.00 0.00 H new ATOM 0 HG13 ILE A 536 102.750 -0.902 -5.384 1.00 0.00 H new ATOM 0 HG21 ILE A 536 104.183 2.402 -4.645 1.00 0.00 H new ATOM 0 HG22 ILE A 536 104.075 3.048 -6.300 1.00 0.00 H new ATOM 0 HG23 ILE A 536 102.603 2.870 -5.316 1.00 0.00 H new ATOM 0 HD11 ILE A 536 102.923 -0.466 -2.981 1.00 0.00 H new ATOM 0 HD12 ILE A 536 104.470 -0.121 -3.791 1.00 0.00 H new ATOM 0 HD13 ILE A 536 103.401 1.217 -3.307 1.00 0.00 H new ATOM 1609 N LEU A 537 104.242 1.443 -9.035 1.00 0.00 N ATOM 1610 CA LEU A 537 104.977 2.204 -10.038 1.00 0.00 C ATOM 1611 C LEU A 537 104.117 2.469 -11.270 1.00 0.00 C ATOM 1612 O LEU A 537 104.056 3.594 -11.765 1.00 0.00 O ATOM 1613 CB LEU A 537 106.248 1.456 -10.443 1.00 0.00 C ATOM 1614 CG LEU A 537 107.489 1.796 -9.616 1.00 0.00 C ATOM 1615 CD1 LEU A 537 108.069 3.133 -10.052 1.00 0.00 C ATOM 1616 CD2 LEU A 537 107.151 1.816 -8.134 1.00 0.00 C ATOM 0 H LEU A 537 104.600 0.501 -8.876 1.00 0.00 H new ATOM 0 HA LEU A 537 105.248 3.163 -9.598 1.00 0.00 H new ATOM 0 HB2 LEU A 537 106.061 0.385 -10.367 1.00 0.00 H new ATOM 0 HB3 LEU A 537 106.459 1.669 -11.491 1.00 0.00 H new ATOM 0 HG LEU A 537 108.240 1.025 -9.786 1.00 0.00 H new ATOM 0 HD11 LEU A 537 108.951 3.359 -9.453 1.00 0.00 H new ATOM 0 HD12 LEU A 537 108.348 3.083 -11.105 1.00 0.00 H new ATOM 0 HD13 LEU A 537 107.324 3.916 -9.911 1.00 0.00 H new ATOM 0 HD21 LEU A 537 108.045 2.059 -7.560 1.00 0.00 H new ATOM 0 HD22 LEU A 537 106.383 2.567 -7.946 1.00 0.00 H new ATOM 0 HD23 LEU A 537 106.782 0.836 -7.832 1.00 0.00 H new ATOM 1628 N VAL A 538 103.460 1.426 -11.766 1.00 0.00 N ATOM 1629 CA VAL A 538 102.614 1.553 -12.945 1.00 0.00 C ATOM 1630 C VAL A 538 101.462 2.522 -12.696 1.00 0.00 C ATOM 1631 O VAL A 538 101.100 3.305 -13.573 1.00 0.00 O ATOM 1632 CB VAL A 538 102.040 0.189 -13.372 1.00 0.00 C ATOM 1633 CG1 VAL A 538 101.062 0.355 -14.523 1.00 0.00 C ATOM 1634 CG2 VAL A 538 103.162 -0.766 -13.750 1.00 0.00 C ATOM 0 H VAL A 538 103.497 0.486 -11.371 1.00 0.00 H new ATOM 0 HA VAL A 538 103.244 1.942 -13.745 1.00 0.00 H new ATOM 0 HB VAL A 538 101.499 -0.237 -12.527 1.00 0.00 H new ATOM 0 HG11 VAL A 538 100.668 -0.620 -14.809 1.00 0.00 H new ATOM 0 HG12 VAL A 538 100.241 1.001 -14.212 1.00 0.00 H new ATOM 0 HG13 VAL A 538 101.574 0.803 -15.374 1.00 0.00 H new ATOM 0 HG21 VAL A 538 102.738 -1.725 -14.049 1.00 0.00 H new ATOM 0 HG22 VAL A 538 103.733 -0.347 -14.579 1.00 0.00 H new ATOM 0 HG23 VAL A 538 103.820 -0.911 -12.893 1.00 0.00 H new ATOM 1644 N ASP A 539 100.892 2.466 -11.496 1.00 0.00 N ATOM 1645 CA ASP A 539 99.785 3.347 -11.140 1.00 0.00 C ATOM 1646 C ASP A 539 100.237 4.804 -11.114 1.00 0.00 C ATOM 1647 O ASP A 539 99.508 5.701 -11.542 1.00 0.00 O ATOM 1648 CB ASP A 539 99.215 2.949 -9.777 1.00 0.00 C ATOM 1649 CG ASP A 539 98.367 4.044 -9.159 1.00 0.00 C ATOM 1650 OD1 ASP A 539 98.945 5.041 -8.675 1.00 0.00 O ATOM 1651 OD2 ASP A 539 97.126 3.904 -9.156 1.00 0.00 O ATOM 0 H ASP A 539 101.177 1.823 -10.757 1.00 0.00 H new ATOM 0 HA ASP A 539 99.007 3.243 -11.897 1.00 0.00 H new ATOM 0 HB2 ASP A 539 98.613 2.047 -9.888 1.00 0.00 H new ATOM 0 HB3 ASP A 539 100.035 2.704 -9.102 1.00 0.00 H new ATOM 1656 N ARG A 540 101.448 5.031 -10.615 1.00 0.00 N ATOM 1657 CA ARG A 540 102.000 6.378 -10.537 1.00 0.00 C ATOM 1658 C ARG A 540 102.160 6.974 -11.932 1.00 0.00 C ATOM 1659 O ARG A 540 101.856 8.147 -12.156 1.00 0.00 O ATOM 1660 CB ARG A 540 103.350 6.356 -9.816 1.00 0.00 C ATOM 1661 CG ARG A 540 103.882 7.737 -9.471 1.00 0.00 C ATOM 1662 CD ARG A 540 102.843 8.569 -8.737 1.00 0.00 C ATOM 1663 NE ARG A 540 103.361 9.881 -8.356 1.00 0.00 N ATOM 1664 CZ ARG A 540 104.203 10.074 -7.346 1.00 0.00 C ATOM 1665 NH1 ARG A 540 104.619 9.045 -6.619 1.00 0.00 N ATOM 1666 NH2 ARG A 540 104.631 11.296 -7.063 1.00 0.00 N ATOM 0 H ARG A 540 102.065 4.301 -10.259 1.00 0.00 H new ATOM 0 HA ARG A 540 101.308 7.001 -9.971 1.00 0.00 H new ATOM 0 HB2 ARG A 540 103.253 5.775 -8.899 1.00 0.00 H new ATOM 0 HB3 ARG A 540 104.078 5.842 -10.443 1.00 0.00 H new ATOM 0 HG2 ARG A 540 104.774 7.640 -8.853 1.00 0.00 H new ATOM 0 HG3 ARG A 540 104.182 8.251 -10.384 1.00 0.00 H new ATOM 0 HD2 ARG A 540 101.966 8.696 -9.372 1.00 0.00 H new ATOM 0 HD3 ARG A 540 102.516 8.035 -7.845 1.00 0.00 H new ATOM 0 HE ARG A 540 103.060 10.693 -8.895 1.00 0.00 H new ATOM 0 HH11 ARG A 540 104.293 8.103 -6.835 1.00 0.00 H new ATOM 0 HH12 ARG A 540 105.265 9.196 -5.844 1.00 0.00 H new ATOM 0 HH21 ARG A 540 104.314 12.089 -7.621 1.00 0.00 H new ATOM 0 HH22 ARG A 540 105.277 11.443 -6.288 1.00 0.00 H new ATOM 1680 N GLN A 541 102.630 6.155 -12.868 1.00 0.00 N ATOM 1681 CA GLN A 541 102.821 6.595 -14.245 1.00 0.00 C ATOM 1682 C GLN A 541 101.489 6.978 -14.878 1.00 0.00 C ATOM 1683 O GLN A 541 101.388 7.982 -15.582 1.00 0.00 O ATOM 1684 CB GLN A 541 103.494 5.495 -15.067 1.00 0.00 C ATOM 1685 CG GLN A 541 104.977 5.731 -15.297 1.00 0.00 C ATOM 1686 CD GLN A 541 105.830 4.573 -14.818 1.00 0.00 C ATOM 1687 OE1 GLN A 541 105.908 3.533 -15.471 1.00 0.00 O ATOM 1688 NE2 GLN A 541 106.476 4.749 -13.672 1.00 0.00 N ATOM 0 H GLN A 541 102.886 5.182 -12.697 1.00 0.00 H new ATOM 0 HA GLN A 541 103.466 7.474 -14.235 1.00 0.00 H new ATOM 0 HB2 GLN A 541 103.361 4.540 -14.559 1.00 0.00 H new ATOM 0 HB3 GLN A 541 102.993 5.415 -16.032 1.00 0.00 H new ATOM 0 HG2 GLN A 541 105.155 5.894 -16.360 1.00 0.00 H new ATOM 0 HG3 GLN A 541 105.281 6.641 -14.780 1.00 0.00 H new ATOM 0 HE21 GLN A 541 106.382 5.628 -13.164 1.00 0.00 H new ATOM 0 HE22 GLN A 541 107.066 4.005 -13.300 1.00 0.00 H new ATOM 1697 N ALA A 542 100.467 6.166 -14.621 1.00 0.00 N ATOM 1698 CA ALA A 542 99.139 6.416 -15.164 1.00 0.00 C ATOM 1699 C ALA A 542 98.609 7.765 -14.696 1.00 0.00 C ATOM 1700 O ALA A 542 97.947 8.479 -15.449 1.00 0.00 O ATOM 1701 CB ALA A 542 98.176 5.307 -14.767 1.00 0.00 C ATOM 0 H ALA A 542 100.535 5.330 -14.040 1.00 0.00 H new ATOM 0 HA ALA A 542 99.219 6.433 -16.251 1.00 0.00 H new ATOM 0 HB1 ALA A 542 97.190 5.515 -15.184 1.00 0.00 H new ATOM 0 HB2 ALA A 542 98.539 4.354 -15.152 1.00 0.00 H new ATOM 0 HB3 ALA A 542 98.107 5.256 -13.680 1.00 0.00 H new ATOM 1707 N LYS A 543 98.910 8.112 -13.450 1.00 0.00 N ATOM 1708 CA LYS A 543 98.466 9.382 -12.886 1.00 0.00 C ATOM 1709 C LYS A 543 98.772 10.531 -13.841 1.00 0.00 C ATOM 1710 O LYS A 543 98.121 11.575 -13.803 1.00 0.00 O ATOM 1711 CB LYS A 543 99.145 9.627 -11.537 1.00 0.00 C ATOM 1712 CG LYS A 543 98.173 9.974 -10.422 1.00 0.00 C ATOM 1713 CD LYS A 543 98.555 9.291 -9.121 1.00 0.00 C ATOM 1714 CE LYS A 543 97.986 7.882 -9.044 1.00 0.00 C ATOM 1715 NZ LYS A 543 97.664 7.489 -7.646 1.00 0.00 N ATOM 0 H LYS A 543 99.458 7.534 -12.812 1.00 0.00 H new ATOM 0 HA LYS A 543 97.387 9.333 -12.737 1.00 0.00 H new ATOM 0 HB2 LYS A 543 99.706 8.736 -11.255 1.00 0.00 H new ATOM 0 HB3 LYS A 543 99.866 10.437 -11.644 1.00 0.00 H new ATOM 0 HG2 LYS A 543 98.155 11.054 -10.276 1.00 0.00 H new ATOM 0 HG3 LYS A 543 97.165 9.674 -10.710 1.00 0.00 H new ATOM 0 HD2 LYS A 543 99.641 9.251 -9.035 1.00 0.00 H new ATOM 0 HD3 LYS A 543 98.189 9.879 -8.279 1.00 0.00 H new ATOM 0 HE2 LYS A 543 97.085 7.820 -9.655 1.00 0.00 H new ATOM 0 HE3 LYS A 543 98.704 7.177 -9.463 1.00 0.00 H new ATOM 0 HZ1 LYS A 543 97.965 6.507 -7.484 1.00 0.00 H new ATOM 0 HZ2 LYS A 543 98.163 8.118 -6.985 1.00 0.00 H new ATOM 0 HZ3 LYS A 543 96.639 7.567 -7.491 1.00 0.00 H new ATOM 1729 N LEU A 544 99.770 10.331 -14.697 1.00 0.00 N ATOM 1730 CA LEU A 544 100.173 11.346 -15.664 1.00 0.00 C ATOM 1731 C LEU A 544 98.959 12.057 -16.258 1.00 0.00 C ATOM 1732 O LEU A 544 99.021 13.246 -16.576 1.00 0.00 O ATOM 1733 CB LEU A 544 101.000 10.710 -16.784 1.00 0.00 C ATOM 1734 CG LEU A 544 101.326 11.637 -17.955 1.00 0.00 C ATOM 1735 CD1 LEU A 544 100.113 11.806 -18.856 1.00 0.00 C ATOM 1736 CD2 LEU A 544 101.806 12.989 -17.445 1.00 0.00 C ATOM 0 H LEU A 544 100.316 9.471 -14.740 1.00 0.00 H new ATOM 0 HA LEU A 544 100.780 12.085 -15.141 1.00 0.00 H new ATOM 0 HB2 LEU A 544 101.935 10.342 -16.361 1.00 0.00 H new ATOM 0 HB3 LEU A 544 100.460 9.843 -17.166 1.00 0.00 H new ATOM 0 HG LEU A 544 102.127 11.185 -18.540 1.00 0.00 H new ATOM 0 HD11 LEU A 544 100.364 12.469 -19.684 1.00 0.00 H new ATOM 0 HD12 LEU A 544 99.813 10.834 -19.248 1.00 0.00 H new ATOM 0 HD13 LEU A 544 99.291 12.236 -18.283 1.00 0.00 H new ATOM 0 HD21 LEU A 544 102.034 13.637 -18.291 1.00 0.00 H new ATOM 0 HD22 LEU A 544 101.025 13.447 -16.837 1.00 0.00 H new ATOM 0 HD23 LEU A 544 102.703 12.852 -16.841 1.00 0.00 H new ATOM 1748 N ASN A 545 97.861 11.325 -16.409 1.00 0.00 N ATOM 1749 CA ASN A 545 96.639 11.892 -16.969 1.00 0.00 C ATOM 1750 C ASN A 545 96.396 13.302 -16.437 1.00 0.00 C ATOM 1751 O ASN A 545 96.386 14.269 -17.199 1.00 0.00 O ATOM 1752 CB ASN A 545 95.442 10.996 -16.648 1.00 0.00 C ATOM 1753 CG ASN A 545 95.112 10.043 -17.781 1.00 0.00 C ATOM 1754 OD1 ASN A 545 93.955 9.673 -17.979 1.00 0.00 O ATOM 1755 ND2 ASN A 545 96.130 9.639 -18.533 1.00 0.00 N ATOM 0 H ASN A 545 97.791 10.340 -16.152 1.00 0.00 H new ATOM 0 HA ASN A 545 96.759 11.950 -18.051 1.00 0.00 H new ATOM 0 HB2 ASN A 545 95.652 10.423 -15.745 1.00 0.00 H new ATOM 0 HB3 ASN A 545 94.573 11.618 -16.436 1.00 0.00 H new ATOM 0 HD21 ASN A 545 95.968 8.998 -19.309 1.00 0.00 H new ATOM 0 HD22 ASN A 545 97.074 9.970 -18.334 1.00 0.00 H new ATOM 1762 N GLN A 546 96.201 13.414 -15.127 1.00 0.00 N ATOM 1763 CA GLN A 546 95.960 14.711 -14.502 1.00 0.00 C ATOM 1764 C GLN A 546 95.960 14.593 -12.981 1.00 0.00 C ATOM 1765 O GLN A 546 95.620 13.547 -12.429 1.00 0.00 O ATOM 1766 CB GLN A 546 94.625 15.288 -14.978 1.00 0.00 C ATOM 1767 CG GLN A 546 93.415 14.527 -14.463 1.00 0.00 C ATOM 1768 CD GLN A 546 92.496 15.392 -13.623 1.00 0.00 C ATOM 1769 OE1 GLN A 546 92.944 16.111 -12.731 1.00 0.00 O ATOM 1770 NE2 GLN A 546 91.199 15.324 -13.903 1.00 0.00 N ATOM 0 H GLN A 546 96.205 12.626 -14.479 1.00 0.00 H new ATOM 0 HA GLN A 546 96.767 15.383 -14.796 1.00 0.00 H new ATOM 0 HB2 GLN A 546 94.553 16.327 -14.658 1.00 0.00 H new ATOM 0 HB3 GLN A 546 94.607 15.288 -16.068 1.00 0.00 H new ATOM 0 HG2 GLN A 546 92.857 14.125 -15.308 1.00 0.00 H new ATOM 0 HG3 GLN A 546 93.751 13.677 -13.869 1.00 0.00 H new ATOM 0 HE21 GLN A 546 90.870 14.714 -14.652 1.00 0.00 H new ATOM 0 HE22 GLN A 546 90.532 15.882 -13.369 1.00 0.00 H new ATOM 1779 N PRO A 547 96.344 15.672 -12.285 1.00 0.00 N ATOM 1780 CA PRO A 547 96.389 15.695 -10.820 1.00 0.00 C ATOM 1781 C PRO A 547 94.997 15.706 -10.197 1.00 0.00 C ATOM 1782 O PRO A 547 94.450 16.766 -9.896 1.00 0.00 O ATOM 1783 CB PRO A 547 97.124 16.999 -10.508 1.00 0.00 C ATOM 1784 CG PRO A 547 96.862 17.874 -11.684 1.00 0.00 C ATOM 1785 CD PRO A 547 96.764 16.957 -12.873 1.00 0.00 C ATOM 0 HA PRO A 547 96.875 14.808 -10.414 1.00 0.00 H new ATOM 0 HB2 PRO A 547 96.754 17.451 -9.588 1.00 0.00 H new ATOM 0 HB3 PRO A 547 98.192 16.828 -10.372 1.00 0.00 H new ATOM 0 HG2 PRO A 547 95.940 18.440 -11.551 1.00 0.00 H new ATOM 0 HG3 PRO A 547 97.665 18.599 -11.816 1.00 0.00 H new ATOM 0 HD2 PRO A 547 96.039 17.321 -13.601 1.00 0.00 H new ATOM 0 HD3 PRO A 547 97.719 16.868 -13.391 1.00 0.00 H new ATOM 1793 N ARG A 548 94.430 14.520 -10.007 1.00 0.00 N ATOM 1794 CA ARG A 548 93.101 14.395 -9.420 1.00 0.00 C ATOM 1795 C ARG A 548 93.102 14.842 -7.961 1.00 0.00 C ATOM 1796 O ARG A 548 94.089 15.389 -7.469 1.00 0.00 O ATOM 1797 CB ARG A 548 92.610 12.949 -9.518 1.00 0.00 C ATOM 1798 CG ARG A 548 92.817 12.328 -10.889 1.00 0.00 C ATOM 1799 CD ARG A 548 91.500 12.162 -11.630 1.00 0.00 C ATOM 1800 NE ARG A 548 90.749 11.003 -11.155 1.00 0.00 N ATOM 1801 CZ ARG A 548 89.878 10.335 -11.904 1.00 0.00 C ATOM 1802 NH1 ARG A 548 89.644 10.715 -13.153 1.00 0.00 N ATOM 1803 NH2 ARG A 548 89.237 9.287 -11.405 1.00 0.00 N ATOM 0 H ARG A 548 94.869 13.632 -10.251 1.00 0.00 H new ATOM 0 HA ARG A 548 92.425 15.042 -9.979 1.00 0.00 H new ATOM 0 HB2 ARG A 548 93.130 12.346 -8.773 1.00 0.00 H new ATOM 0 HB3 ARG A 548 91.549 12.917 -9.270 1.00 0.00 H new ATOM 0 HG2 ARG A 548 93.489 12.954 -11.476 1.00 0.00 H new ATOM 0 HG3 ARG A 548 93.300 11.357 -10.781 1.00 0.00 H new ATOM 0 HD2 ARG A 548 90.897 13.061 -11.504 1.00 0.00 H new ATOM 0 HD3 ARG A 548 91.695 12.056 -12.697 1.00 0.00 H new ATOM 0 HE ARG A 548 90.901 10.689 -10.196 1.00 0.00 H new ATOM 0 HH11 ARG A 548 90.133 11.522 -13.541 1.00 0.00 H new ATOM 0 HH12 ARG A 548 88.975 10.200 -13.726 1.00 0.00 H new ATOM 0 HH21 ARG A 548 89.412 8.992 -10.444 1.00 0.00 H new ATOM 0 HH22 ARG A 548 88.569 8.776 -11.982 1.00 0.00 H new ATOM 1817 N GLU A 549 91.988 14.604 -7.275 1.00 0.00 N ATOM 1818 CA GLU A 549 91.859 14.979 -5.872 1.00 0.00 C ATOM 1819 C GLU A 549 91.745 13.743 -4.987 1.00 0.00 C ATOM 1820 O GLU A 549 90.672 13.150 -4.868 1.00 0.00 O ATOM 1821 CB GLU A 549 90.637 15.876 -5.674 1.00 0.00 C ATOM 1822 CG GLU A 549 90.752 17.223 -6.369 1.00 0.00 C ATOM 1823 CD GLU A 549 89.722 17.403 -7.466 1.00 0.00 C ATOM 1824 OE1 GLU A 549 88.512 17.394 -7.152 1.00 0.00 O ATOM 1825 OE2 GLU A 549 90.123 17.553 -8.639 1.00 0.00 O ATOM 0 H GLU A 549 91.162 14.153 -7.669 1.00 0.00 H new ATOM 0 HA GLU A 549 92.755 15.528 -5.584 1.00 0.00 H new ATOM 0 HB2 GLU A 549 89.753 15.359 -6.046 1.00 0.00 H new ATOM 0 HB3 GLU A 549 90.485 16.039 -4.607 1.00 0.00 H new ATOM 0 HG2 GLU A 549 90.636 18.018 -5.633 1.00 0.00 H new ATOM 0 HG3 GLU A 549 91.751 17.325 -6.793 1.00 0.00 H new ATOM 1832 N LYS A 550 92.857 13.359 -4.368 1.00 0.00 N ATOM 1833 CA LYS A 550 92.882 12.193 -3.494 1.00 0.00 C ATOM 1834 C LYS A 550 93.171 12.601 -2.052 1.00 0.00 C ATOM 1835 O LYS A 550 94.265 13.069 -1.738 1.00 0.00 O ATOM 1836 CB LYS A 550 93.939 11.196 -3.974 1.00 0.00 C ATOM 1837 CG LYS A 550 93.815 9.822 -3.336 1.00 0.00 C ATOM 1838 CD LYS A 550 93.072 8.853 -4.241 1.00 0.00 C ATOM 1839 CE LYS A 550 92.135 7.957 -3.448 1.00 0.00 C ATOM 1840 NZ LYS A 550 92.638 6.558 -3.369 1.00 0.00 N ATOM 0 H LYS A 550 93.753 13.839 -4.456 1.00 0.00 H new ATOM 0 HA LYS A 550 91.901 11.720 -3.530 1.00 0.00 H new ATOM 0 HB2 LYS A 550 93.864 11.093 -5.056 1.00 0.00 H new ATOM 0 HB3 LYS A 550 94.929 11.598 -3.760 1.00 0.00 H new ATOM 0 HG2 LYS A 550 94.808 9.430 -3.119 1.00 0.00 H new ATOM 0 HG3 LYS A 550 93.291 9.908 -2.384 1.00 0.00 H new ATOM 0 HD2 LYS A 550 92.502 9.411 -4.983 1.00 0.00 H new ATOM 0 HD3 LYS A 550 93.789 8.239 -4.786 1.00 0.00 H new ATOM 0 HE2 LYS A 550 92.016 8.357 -2.441 1.00 0.00 H new ATOM 0 HE3 LYS A 550 91.149 7.962 -3.912 1.00 0.00 H new ATOM 0 HZ1 LYS A 550 91.970 5.980 -2.820 1.00 0.00 H new ATOM 0 HZ2 LYS A 550 92.728 6.167 -4.328 1.00 0.00 H new ATOM 0 HZ3 LYS A 550 93.568 6.549 -2.903 1.00 0.00 H new ATOM 1854 N LYS A 551 92.184 12.423 -1.180 1.00 0.00 N ATOM 1855 CA LYS A 551 92.338 12.775 0.228 1.00 0.00 C ATOM 1856 C LYS A 551 93.643 12.218 0.788 1.00 0.00 C ATOM 1857 O LYS A 551 94.050 11.106 0.450 1.00 0.00 O ATOM 1858 CB LYS A 551 91.154 12.248 1.041 1.00 0.00 C ATOM 1859 CG LYS A 551 91.171 12.691 2.495 1.00 0.00 C ATOM 1860 CD LYS A 551 90.120 13.755 2.767 1.00 0.00 C ATOM 1861 CE LYS A 551 89.888 13.943 4.257 1.00 0.00 C ATOM 1862 NZ LYS A 551 89.085 12.833 4.841 1.00 0.00 N ATOM 0 H LYS A 551 91.271 12.038 -1.422 1.00 0.00 H new ATOM 0 HA LYS A 551 92.365 13.862 0.304 1.00 0.00 H new ATOM 0 HB2 LYS A 551 90.227 12.585 0.578 1.00 0.00 H new ATOM 0 HB3 LYS A 551 91.153 11.159 1.001 1.00 0.00 H new ATOM 0 HG2 LYS A 551 90.994 11.831 3.140 1.00 0.00 H new ATOM 0 HG3 LYS A 551 92.158 13.080 2.746 1.00 0.00 H new ATOM 0 HD2 LYS A 551 90.435 14.700 2.325 1.00 0.00 H new ATOM 0 HD3 LYS A 551 89.184 13.474 2.285 1.00 0.00 H new ATOM 0 HE2 LYS A 551 90.849 14.004 4.769 1.00 0.00 H new ATOM 0 HE3 LYS A 551 89.376 14.890 4.428 1.00 0.00 H new ATOM 0 HZ1 LYS A 551 88.849 13.058 5.829 1.00 0.00 H new ATOM 0 HZ2 LYS A 551 88.208 12.714 4.294 1.00 0.00 H new ATOM 0 HZ3 LYS A 551 89.636 11.952 4.809 1.00 0.00 H new ATOM 1876 N ARG A 552 94.294 12.999 1.644 1.00 0.00 N ATOM 1877 CA ARG A 552 95.554 12.584 2.251 1.00 0.00 C ATOM 1878 C ARG A 552 95.995 13.575 3.322 1.00 0.00 C ATOM 1879 O ARG A 552 96.040 14.782 3.084 1.00 0.00 O ATOM 1880 CB ARG A 552 96.642 12.459 1.183 1.00 0.00 C ATOM 1881 CG ARG A 552 97.137 13.799 0.664 1.00 0.00 C ATOM 1882 CD ARG A 552 97.197 13.821 -0.855 1.00 0.00 C ATOM 1883 NE ARG A 552 98.570 13.921 -1.345 1.00 0.00 N ATOM 1884 CZ ARG A 552 98.891 13.989 -2.634 1.00 0.00 C ATOM 1885 NH1 ARG A 552 97.942 13.963 -3.559 1.00 0.00 N ATOM 1886 NH2 ARG A 552 100.162 14.082 -2.997 1.00 0.00 N ATOM 0 H ARG A 552 93.970 13.922 1.933 1.00 0.00 H new ATOM 0 HA ARG A 552 95.398 11.612 2.720 1.00 0.00 H new ATOM 0 HB2 ARG A 552 97.484 11.905 1.597 1.00 0.00 H new ATOM 0 HB3 ARG A 552 96.255 11.875 0.348 1.00 0.00 H new ATOM 0 HG2 ARG A 552 96.477 14.592 1.015 1.00 0.00 H new ATOM 0 HG3 ARG A 552 98.127 14.005 1.071 1.00 0.00 H new ATOM 0 HD2 ARG A 552 96.736 12.916 -1.250 1.00 0.00 H new ATOM 0 HD3 ARG A 552 96.616 14.664 -1.229 1.00 0.00 H new ATOM 0 HE ARG A 552 99.325 13.940 -0.660 1.00 0.00 H new ATOM 0 HH11 ARG A 552 96.963 13.891 -3.283 1.00 0.00 H new ATOM 0 HH12 ARG A 552 98.191 14.015 -4.547 1.00 0.00 H new ATOM 0 HH21 ARG A 552 100.895 14.101 -2.288 1.00 0.00 H new ATOM 0 HH22 ARG A 552 100.408 14.134 -3.986 1.00 0.00 H new ATOM 1900 N GLY A 553 96.324 13.058 4.500 1.00 0.00 N ATOM 1901 CA GLY A 553 96.761 13.913 5.587 1.00 0.00 C ATOM 1902 C GLY A 553 95.722 14.040 6.682 1.00 0.00 C ATOM 1903 O GLY A 553 94.549 14.298 6.409 1.00 0.00 O ATOM 0 H GLY A 553 96.296 12.063 4.722 1.00 0.00 H new ATOM 0 HA2 GLY A 553 97.683 13.514 6.010 1.00 0.00 H new ATOM 0 HA3 GLY A 553 96.993 14.903 5.195 1.00 0.00 H new ATOM 1907 N THR A 554 96.156 13.859 7.925 1.00 0.00 N ATOM 1908 CA THR A 554 95.259 13.955 9.070 1.00 0.00 C ATOM 1909 C THR A 554 95.810 14.924 10.111 1.00 0.00 C ATOM 1910 O THR A 554 95.982 14.568 11.277 1.00 0.00 O ATOM 1911 CB THR A 554 95.041 12.579 9.727 1.00 0.00 C ATOM 1912 OG1 THR A 554 94.056 12.646 10.765 1.00 0.00 O ATOM 1913 CG2 THR A 554 96.337 12.052 10.324 1.00 0.00 C ATOM 0 H THR A 554 97.124 13.645 8.165 1.00 0.00 H new ATOM 0 HA THR A 554 94.303 14.326 8.700 1.00 0.00 H new ATOM 0 HB THR A 554 94.694 11.905 8.943 1.00 0.00 H new ATOM 0 HG1 THR A 554 94.347 13.281 11.452 1.00 0.00 H new ATOM 0 HG21 THR A 554 96.158 11.079 10.782 1.00 0.00 H new ATOM 0 HG22 THR A 554 97.085 11.950 9.538 1.00 0.00 H new ATOM 0 HG23 THR A 554 96.699 12.748 11.081 1.00 0.00 H new ATOM 1921 N GLU A 555 96.089 16.149 9.679 1.00 0.00 N ATOM 1922 CA GLU A 555 96.626 17.171 10.570 1.00 0.00 C ATOM 1923 C GLU A 555 98.045 16.820 11.001 1.00 0.00 C ATOM 1924 O GLU A 555 98.261 16.281 12.087 1.00 0.00 O ATOM 1925 CB GLU A 555 95.731 17.332 11.800 1.00 0.00 C ATOM 1926 CG GLU A 555 95.833 18.705 12.447 1.00 0.00 C ATOM 1927 CD GLU A 555 94.840 18.892 13.578 1.00 0.00 C ATOM 1928 OE1 GLU A 555 94.355 20.028 13.760 1.00 0.00 O ATOM 1929 OE2 GLU A 555 94.548 17.902 14.282 1.00 0.00 O ATOM 0 H GLU A 555 95.952 16.458 8.717 1.00 0.00 H new ATOM 0 HA GLU A 555 96.651 18.115 10.026 1.00 0.00 H new ATOM 0 HB2 GLU A 555 94.695 17.150 11.513 1.00 0.00 H new ATOM 0 HB3 GLU A 555 95.996 16.572 12.535 1.00 0.00 H new ATOM 0 HG2 GLU A 555 96.844 18.849 12.829 1.00 0.00 H new ATOM 0 HG3 GLU A 555 95.666 19.472 11.691 1.00 0.00 H new ATOM 1936 N LYS A 556 99.011 17.128 10.140 1.00 0.00 N ATOM 1937 CA LYS A 556 100.412 16.845 10.428 1.00 0.00 C ATOM 1938 C LYS A 556 100.930 17.736 11.552 1.00 0.00 C ATOM 1939 O LYS A 556 101.672 18.688 11.311 1.00 0.00 O ATOM 1940 CB LYS A 556 101.262 17.045 9.172 1.00 0.00 C ATOM 1941 CG LYS A 556 102.745 16.800 9.397 1.00 0.00 C ATOM 1942 CD LYS A 556 103.285 15.741 8.449 1.00 0.00 C ATOM 1943 CE LYS A 556 104.256 14.806 9.153 1.00 0.00 C ATOM 1944 NZ LYS A 556 105.591 14.793 8.494 1.00 0.00 N ATOM 0 H LYS A 556 98.848 17.574 9.237 1.00 0.00 H new ATOM 0 HA LYS A 556 100.487 15.806 10.750 1.00 0.00 H new ATOM 0 HB2 LYS A 556 100.905 16.373 8.391 1.00 0.00 H new ATOM 0 HB3 LYS A 556 101.121 18.062 8.806 1.00 0.00 H new ATOM 0 HG2 LYS A 556 103.294 17.731 9.255 1.00 0.00 H new ATOM 0 HG3 LYS A 556 102.911 16.486 10.428 1.00 0.00 H new ATOM 0 HD2 LYS A 556 102.457 15.164 8.036 1.00 0.00 H new ATOM 0 HD3 LYS A 556 103.786 16.224 7.610 1.00 0.00 H new ATOM 0 HE2 LYS A 556 104.367 15.114 10.193 1.00 0.00 H new ATOM 0 HE3 LYS A 556 103.846 13.796 9.162 1.00 0.00 H new ATOM 0 HZ1 LYS A 556 106.224 14.144 9.004 1.00 0.00 H new ATOM 0 HZ2 LYS A 556 105.489 14.475 7.509 1.00 0.00 H new ATOM 0 HZ3 LYS A 556 105.994 15.751 8.508 1.00 0.00 H new ATOM 1958 N LEU A 557 100.531 17.422 12.781 1.00 0.00 N ATOM 1959 CA LEU A 557 100.957 18.193 13.943 1.00 0.00 C ATOM 1960 C LEU A 557 101.112 17.294 15.165 1.00 0.00 C ATOM 1961 O LEU A 557 100.195 17.169 15.977 1.00 0.00 O ATOM 1962 CB LEU A 557 99.948 19.307 14.237 1.00 0.00 C ATOM 1963 CG LEU A 557 100.476 20.730 14.031 1.00 0.00 C ATOM 1964 CD1 LEU A 557 100.181 21.210 12.618 1.00 0.00 C ATOM 1965 CD2 LEU A 557 99.867 21.677 15.055 1.00 0.00 C ATOM 0 H LEU A 557 99.914 16.639 12.997 1.00 0.00 H new ATOM 0 HA LEU A 557 101.926 18.639 13.719 1.00 0.00 H new ATOM 0 HB2 LEU A 557 99.075 19.164 13.600 1.00 0.00 H new ATOM 0 HB3 LEU A 557 99.609 19.207 15.268 1.00 0.00 H new ATOM 0 HG LEU A 557 101.557 20.720 14.171 1.00 0.00 H new ATOM 0 HD11 LEU A 557 100.563 22.223 12.490 1.00 0.00 H new ATOM 0 HD12 LEU A 557 100.664 20.547 11.900 1.00 0.00 H new ATOM 0 HD13 LEU A 557 99.104 21.205 12.449 1.00 0.00 H new ATOM 0 HD21 LEU A 557 100.253 22.684 14.894 1.00 0.00 H new ATOM 0 HD22 LEU A 557 98.782 21.682 14.946 1.00 0.00 H new ATOM 0 HD23 LEU A 557 100.129 21.344 16.059 1.00 0.00 H new ATOM 1977 N ILE A 558 102.279 16.667 15.288 1.00 0.00 N ATOM 1978 CA ILE A 558 102.555 15.777 16.409 1.00 0.00 C ATOM 1979 C ILE A 558 103.827 16.192 17.143 1.00 0.00 C ATOM 1980 O ILE A 558 104.868 16.412 16.524 1.00 0.00 O ATOM 1981 CB ILE A 558 102.699 14.315 15.944 1.00 0.00 C ATOM 1982 CG1 ILE A 558 101.475 13.896 15.129 1.00 0.00 C ATOM 1983 CG2 ILE A 558 102.886 13.395 17.139 1.00 0.00 C ATOM 1984 CD1 ILE A 558 101.726 12.709 14.223 1.00 0.00 C ATOM 0 H ILE A 558 103.048 16.760 14.624 1.00 0.00 H new ATOM 0 HA ILE A 558 101.706 15.853 17.088 1.00 0.00 H new ATOM 0 HB ILE A 558 103.581 14.236 15.309 1.00 0.00 H new ATOM 0 HG12 ILE A 558 100.660 13.655 15.811 1.00 0.00 H new ATOM 0 HG13 ILE A 558 101.145 14.741 14.524 1.00 0.00 H new ATOM 0 HG21 ILE A 558 102.986 12.366 16.794 1.00 0.00 H new ATOM 0 HG22 ILE A 558 103.785 13.684 17.684 1.00 0.00 H new ATOM 0 HG23 ILE A 558 102.021 13.474 17.798 1.00 0.00 H new ATOM 0 HD11 ILE A 558 100.814 12.469 13.677 1.00 0.00 H new ATOM 0 HD12 ILE A 558 102.519 12.952 13.516 1.00 0.00 H new ATOM 0 HD13 ILE A 558 102.026 11.850 14.823 1.00 0.00 H new ATOM 1996 N THR A 559 103.733 16.298 18.465 1.00 0.00 N ATOM 1997 CA THR A 559 104.875 16.687 19.285 1.00 0.00 C ATOM 1998 C THR A 559 105.889 15.552 19.390 1.00 0.00 C ATOM 1999 O THR A 559 105.520 14.390 19.561 1.00 0.00 O ATOM 2000 CB THR A 559 104.434 17.097 20.703 1.00 0.00 C ATOM 2001 OG1 THR A 559 103.252 17.906 20.668 1.00 0.00 O ATOM 2002 CG2 THR A 559 105.532 17.880 21.407 1.00 0.00 C ATOM 0 H THR A 559 102.878 16.120 18.991 1.00 0.00 H new ATOM 0 HA THR A 559 105.340 17.542 18.794 1.00 0.00 H new ATOM 0 HB THR A 559 104.227 16.176 21.249 1.00 0.00 H new ATOM 0 HG1 THR A 559 102.995 18.149 21.582 1.00 0.00 H new ATOM 0 HG21 THR A 559 105.197 18.158 22.406 1.00 0.00 H new ATOM 0 HG22 THR A 559 106.427 17.263 21.483 1.00 0.00 H new ATOM 0 HG23 THR A 559 105.760 18.781 20.837 1.00 0.00 H new ATOM 2010 N LYS A 560 107.168 15.898 19.283 1.00 0.00 N ATOM 2011 CA LYS A 560 108.238 14.911 19.363 1.00 0.00 C ATOM 2012 C LYS A 560 108.600 14.613 20.816 1.00 0.00 C ATOM 2013 O LYS A 560 108.451 15.466 21.691 1.00 0.00 O ATOM 2014 CB LYS A 560 109.471 15.408 18.608 1.00 0.00 C ATOM 2015 CG LYS A 560 109.918 14.479 17.492 1.00 0.00 C ATOM 2016 CD LYS A 560 109.521 15.016 16.126 1.00 0.00 C ATOM 2017 CE LYS A 560 110.051 14.134 15.006 1.00 0.00 C ATOM 2018 NZ LYS A 560 111.538 14.172 14.925 1.00 0.00 N ATOM 0 H LYS A 560 107.488 16.856 19.141 1.00 0.00 H new ATOM 0 HA LYS A 560 107.884 13.989 18.902 1.00 0.00 H new ATOM 0 HB2 LYS A 560 109.257 16.391 18.187 1.00 0.00 H new ATOM 0 HB3 LYS A 560 110.292 15.535 19.314 1.00 0.00 H new ATOM 0 HG2 LYS A 560 111.000 14.353 17.534 1.00 0.00 H new ATOM 0 HG3 LYS A 560 109.476 13.493 17.639 1.00 0.00 H new ATOM 0 HD2 LYS A 560 108.435 15.077 16.059 1.00 0.00 H new ATOM 0 HD3 LYS A 560 109.905 16.029 16.006 1.00 0.00 H new ATOM 0 HE2 LYS A 560 109.722 13.107 15.166 1.00 0.00 H new ATOM 0 HE3 LYS A 560 109.627 14.460 14.056 1.00 0.00 H new ATOM 0 HZ1 LYS A 560 111.848 13.744 14.029 1.00 0.00 H new ATOM 0 HZ2 LYS A 560 111.863 15.159 14.968 1.00 0.00 H new ATOM 0 HZ3 LYS A 560 111.943 13.639 15.721 1.00 0.00 H new ATOM 2032 N ALA A 561 109.078 13.397 21.064 1.00 0.00 N ATOM 2033 CA ALA A 561 109.462 12.985 22.409 1.00 0.00 C ATOM 2034 C ALA A 561 108.266 13.024 23.354 1.00 0.00 C ATOM 2035 O ALA A 561 107.634 14.095 23.462 1.00 0.00 O ATOM 2036 CB ALA A 561 110.586 13.857 22.947 1.00 0.00 C ATOM 2037 OXT ALA A 561 107.969 11.982 23.975 1.00 0.00 O ATOM 0 H ALA A 561 109.208 12.680 20.350 1.00 0.00 H new ATOM 0 HA ALA A 561 109.822 11.958 22.349 1.00 0.00 H new ATOM 0 HB1 ALA A 561 110.853 13.528 23.951 1.00 0.00 H new ATOM 0 HB2 ALA A 561 111.455 13.773 22.295 1.00 0.00 H new ATOM 0 HB3 ALA A 561 110.256 14.895 22.981 1.00 0.00 H new TER 2043 ALA A 561