USER MOD reduce.3.24.130724 H: found=0, std=0, add=1026, rem=0, adj=21 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 514 ASN : amide:sc= -0.979 K(o=-1.8,f=2.3) USER MOD Set 1.2: A 518 CYS SG : rot 180:sc= -0.865 USER MOD Set 2.1: A 474 THR OG1 : rot 7:sc= -0.936 USER MOD Set 2.2: A 510 TYR OH : rot 18:sc= 0.333 USER MOD Set 3.1: A 445 ASN : amide:sc= -0.13 X(o=-0.014,f=-0.014) USER MOD Set 3.2: A 447 THR OG1 : rot 180:sc= 0.116 USER MOD Single : A 437 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 438 HIS : no HD1:sc= -1.46 K(o=-1.5,f=-0.53) USER MOD Single : A 439 HIS : no HD1:sc= -1.17 K(o=-1.2,f=-2.9!) USER MOD Single : A 440 HIS : no HD1:sc= -0.0983 X(o=-0.098,f=-0.3) USER MOD Single : A 441 HIS : no HD1:sc= -0.198 X(o=-0.2,f=0.0095) USER MOD Single : A 442 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 443 HIS : no HD1:sc= -0.411 X(o=-0.41,f=-0.24) USER MOD Single : A 444 SER OG : rot 180:sc= 0 USER MOD Single : A 450 GLN : amide:sc= -0.183 K(o=-0.18,f=-1) USER MOD Single : A 453 SER OG : rot 61:sc= 0.384 USER MOD Single : A 458 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 461 SER OG : rot -27:sc= -5.86! USER MOD Single : A 462 THR OG1 : rot 180:sc= 0 USER MOD Single : A 469 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 470 GLN : amide:sc= -5.26! C(o=-5.3!,f=-11!) USER MOD Single : A 479 SER OG : rot 20:sc= 0.929 USER MOD Single : A 483 TYR OH : rot 180:sc= 0 USER MOD Single : A 491 THR OG1 : rot 180:sc= 0.0326 USER MOD Single : A 493 CYS SG : rot -110:sc= -2.72 USER MOD Single : A 494 HIS : no HE2:sc= -3.16! C(o=-3.2!,f=-5.2!) USER MOD Single : A 498 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 499 THR OG1 : rot 180:sc= -0.128 USER MOD Single : A 504 GLN : amide:sc= 0 X(o=0,f=-0.0039) USER MOD Single : A 508 ASN : amide:sc= -0.824 K(o=-0.82,f=-2.3!) USER MOD Single : A 511 THR OG1 : rot 180:sc= 0 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 HD1:sc= -5.71! C(o=-5.7!,f=-6!) USER MOD Single : A 520 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0134) USER MOD Single : A 525 SER OG : rot 180:sc= 0 USER MOD Single : A 528 HIS : no HD1:sc= -0.609 X(o=-0.61,f=-1) USER MOD Single : A 530 GLN : amide:sc= -0.574 K(o=-0.57,f=0) USER MOD Single : A 532 TYR OH : rot 130:sc= -1.76! USER MOD Single : A 534 GLN : amide:sc= -0.0065 X(o=-0.0065,f=-0.15) USER MOD Single : A 535 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 541 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 543 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 545 ASN : amide:sc= -0.891 K(o=-0.89,f=0) USER MOD Single : A 546 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 550 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 551 LYS NZ :NH3+ -152:sc= -0.074 (180deg=-0.823) USER MOD Single : A 554 THR OG1 : rot 180:sc= 0 USER MOD Single : A 556 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 559 THR OG1 : rot 180:sc= 0.045 USER MOD Single : A 560 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 437 130.707 -21.254 -9.557 1.00 0.00 N ATOM 2 CA MET A 437 129.456 -21.768 -8.940 1.00 0.00 C ATOM 3 C MET A 437 128.599 -20.627 -8.404 1.00 0.00 C ATOM 4 O MET A 437 129.109 -19.694 -7.784 1.00 0.00 O ATOM 5 CB MET A 437 129.830 -22.725 -7.806 1.00 0.00 C ATOM 6 CG MET A 437 130.348 -22.021 -6.563 1.00 0.00 C ATOM 7 SD MET A 437 131.946 -22.658 -6.020 1.00 0.00 S ATOM 8 CE MET A 437 132.652 -21.200 -5.256 1.00 0.00 C ATOM 0 HA MET A 437 128.871 -22.291 -9.696 1.00 0.00 H new ATOM 0 HB2 MET A 437 128.956 -23.319 -7.539 1.00 0.00 H new ATOM 0 HB3 MET A 437 130.590 -23.420 -8.164 1.00 0.00 H new ATOM 0 HG2 MET A 437 130.436 -20.953 -6.765 1.00 0.00 H new ATOM 0 HG3 MET A 437 129.623 -22.134 -5.757 1.00 0.00 H new ATOM 0 HE1 MET A 437 133.644 -21.435 -4.871 1.00 0.00 H new ATOM 0 HE2 MET A 437 132.730 -20.403 -5.996 1.00 0.00 H new ATOM 0 HE3 MET A 437 132.013 -20.873 -4.436 1.00 0.00 H new ATOM 20 N HIS A 438 127.295 -20.706 -8.646 1.00 0.00 N ATOM 21 CA HIS A 438 126.372 -19.674 -8.185 1.00 0.00 C ATOM 22 C HIS A 438 124.995 -20.258 -7.886 1.00 0.00 C ATOM 23 O HIS A 438 123.972 -19.678 -8.252 1.00 0.00 O ATOM 24 CB HIS A 438 126.252 -18.564 -9.231 1.00 0.00 C ATOM 25 CG HIS A 438 126.125 -17.195 -8.637 1.00 0.00 C ATOM 26 ND1 HIS A 438 126.990 -16.162 -8.932 1.00 0.00 N ATOM 27 CD2 HIS A 438 125.222 -16.690 -7.762 1.00 0.00 C ATOM 28 CE1 HIS A 438 126.626 -15.082 -8.263 1.00 0.00 C ATOM 29 NE2 HIS A 438 125.557 -15.376 -7.548 1.00 0.00 N ATOM 0 H HIS A 438 126.854 -21.471 -9.157 1.00 0.00 H new ATOM 0 HA HIS A 438 126.773 -19.255 -7.262 1.00 0.00 H new ATOM 0 HB2 HIS A 438 127.128 -18.590 -9.879 1.00 0.00 H new ATOM 0 HB3 HIS A 438 125.384 -18.761 -9.860 1.00 0.00 H new ATOM 0 HD2 HIS A 438 124.394 -17.221 -7.317 1.00 0.00 H new ATOM 0 HE1 HIS A 438 127.120 -14.122 -8.296 1.00 0.00 H new ATOM 0 HE2 HIS A 438 125.059 -14.731 -6.935 1.00 0.00 H new ATOM 38 N HIS A 439 124.972 -21.406 -7.215 1.00 0.00 N ATOM 39 CA HIS A 439 123.716 -22.058 -6.863 1.00 0.00 C ATOM 40 C HIS A 439 123.421 -21.894 -5.376 1.00 0.00 C ATOM 41 O HIS A 439 122.282 -22.049 -4.936 1.00 0.00 O ATOM 42 CB HIS A 439 123.763 -23.543 -7.227 1.00 0.00 C ATOM 43 CG HIS A 439 124.833 -24.304 -6.508 1.00 0.00 C ATOM 44 ND1 HIS A 439 124.870 -24.439 -5.135 1.00 0.00 N ATOM 45 CD2 HIS A 439 125.911 -24.975 -6.978 1.00 0.00 C ATOM 46 CE1 HIS A 439 125.923 -25.159 -4.793 1.00 0.00 C ATOM 47 NE2 HIS A 439 126.570 -25.497 -5.892 1.00 0.00 N ATOM 0 H HIS A 439 125.807 -21.903 -6.905 1.00 0.00 H new ATOM 0 HA HIS A 439 122.916 -21.582 -7.431 1.00 0.00 H new ATOM 0 HB2 HIS A 439 122.796 -23.994 -7.004 1.00 0.00 H new ATOM 0 HB3 HIS A 439 123.919 -23.640 -8.301 1.00 0.00 H new ATOM 0 HD2 HIS A 439 126.199 -25.080 -8.014 1.00 0.00 H new ATOM 0 HE1 HIS A 439 126.206 -25.426 -3.785 1.00 0.00 H new ATOM 0 HE2 HIS A 439 127.422 -26.056 -5.929 1.00 0.00 H new ATOM 56 N HIS A 440 124.458 -21.577 -4.607 1.00 0.00 N ATOM 57 CA HIS A 440 124.318 -21.387 -3.168 1.00 0.00 C ATOM 58 C HIS A 440 123.952 -19.942 -2.839 1.00 0.00 C ATOM 59 O HIS A 440 123.682 -19.607 -1.685 1.00 0.00 O ATOM 60 CB HIS A 440 125.617 -21.770 -2.455 1.00 0.00 C ATOM 61 CG HIS A 440 125.452 -22.868 -1.453 1.00 0.00 C ATOM 62 ND1 HIS A 440 124.343 -22.990 -0.642 1.00 0.00 N ATOM 63 CD2 HIS A 440 126.267 -23.900 -1.129 1.00 0.00 C ATOM 64 CE1 HIS A 440 124.483 -24.049 0.137 1.00 0.00 C ATOM 65 NE2 HIS A 440 125.642 -24.618 -0.140 1.00 0.00 N ATOM 0 H HIS A 440 125.407 -21.446 -4.958 1.00 0.00 H new ATOM 0 HA HIS A 440 123.513 -22.034 -2.819 1.00 0.00 H new ATOM 0 HB2 HIS A 440 126.352 -22.076 -3.199 1.00 0.00 H new ATOM 0 HB3 HIS A 440 126.019 -20.890 -1.953 1.00 0.00 H new ATOM 0 HD2 HIS A 440 127.230 -24.118 -1.567 1.00 0.00 H new ATOM 0 HE1 HIS A 440 123.771 -24.390 0.874 1.00 0.00 H new ATOM 0 HE2 HIS A 440 126.013 -25.456 0.308 1.00 0.00 H new ATOM 74 N HIS A 441 123.948 -19.087 -3.860 1.00 0.00 N ATOM 75 CA HIS A 441 123.618 -17.677 -3.677 1.00 0.00 C ATOM 76 C HIS A 441 122.197 -17.384 -4.145 1.00 0.00 C ATOM 77 O HIS A 441 121.918 -16.310 -4.678 1.00 0.00 O ATOM 78 CB HIS A 441 124.607 -16.801 -4.446 1.00 0.00 C ATOM 79 CG HIS A 441 124.822 -15.455 -3.827 1.00 0.00 C ATOM 80 ND1 HIS A 441 126.031 -15.056 -3.296 1.00 0.00 N ATOM 81 CD2 HIS A 441 123.976 -14.411 -3.657 1.00 0.00 C ATOM 82 CE1 HIS A 441 125.919 -13.828 -2.826 1.00 0.00 C ATOM 83 NE2 HIS A 441 124.684 -13.413 -3.033 1.00 0.00 N ATOM 0 H HIS A 441 124.169 -19.347 -4.821 1.00 0.00 H new ATOM 0 HA HIS A 441 123.685 -17.449 -2.613 1.00 0.00 H new ATOM 0 HB2 HIS A 441 125.564 -17.319 -4.511 1.00 0.00 H new ATOM 0 HB3 HIS A 441 124.246 -16.669 -5.466 1.00 0.00 H new ATOM 0 HD2 HIS A 441 122.939 -14.371 -3.956 1.00 0.00 H new ATOM 0 HE1 HIS A 441 126.705 -13.259 -2.352 1.00 0.00 H new ATOM 0 HE2 HIS A 441 124.315 -12.499 -2.772 1.00 0.00 H new ATOM 92 N HIS A 442 121.302 -18.346 -3.946 1.00 0.00 N ATOM 93 CA HIS A 442 119.910 -18.188 -4.351 1.00 0.00 C ATOM 94 C HIS A 442 119.791 -18.123 -5.870 1.00 0.00 C ATOM 95 O HIS A 442 119.806 -17.042 -6.458 1.00 0.00 O ATOM 96 CB HIS A 442 119.315 -16.925 -3.725 1.00 0.00 C ATOM 97 CG HIS A 442 119.373 -16.917 -2.229 1.00 0.00 C ATOM 98 ND1 HIS A 442 119.597 -15.775 -1.490 1.00 0.00 N ATOM 99 CD2 HIS A 442 119.236 -17.923 -1.333 1.00 0.00 C ATOM 100 CE1 HIS A 442 119.597 -16.079 -0.204 1.00 0.00 C ATOM 101 NE2 HIS A 442 119.380 -17.376 -0.082 1.00 0.00 N ATOM 0 H HIS A 442 121.515 -19.242 -3.507 1.00 0.00 H new ATOM 0 HA HIS A 442 119.353 -19.056 -3.998 1.00 0.00 H new ATOM 0 HB2 HIS A 442 119.848 -16.054 -4.106 1.00 0.00 H new ATOM 0 HB3 HIS A 442 118.277 -16.827 -4.041 1.00 0.00 H new ATOM 0 HD2 HIS A 442 119.048 -18.962 -1.560 1.00 0.00 H new ATOM 0 HE1 HIS A 442 119.749 -15.385 0.609 1.00 0.00 H new ATOM 0 HE2 HIS A 442 119.328 -17.888 0.799 1.00 0.00 H new ATOM 110 N HIS A 443 119.675 -19.287 -6.500 1.00 0.00 N ATOM 111 CA HIS A 443 119.555 -19.361 -7.951 1.00 0.00 C ATOM 112 C HIS A 443 120.837 -18.882 -8.625 1.00 0.00 C ATOM 113 O HIS A 443 121.858 -18.681 -7.967 1.00 0.00 O ATOM 114 CB HIS A 443 118.369 -18.522 -8.428 1.00 0.00 C ATOM 115 CG HIS A 443 117.263 -19.336 -9.023 1.00 0.00 C ATOM 116 ND1 HIS A 443 115.976 -18.862 -9.172 1.00 0.00 N ATOM 117 CD2 HIS A 443 117.254 -20.601 -9.508 1.00 0.00 C ATOM 118 CE1 HIS A 443 115.224 -19.800 -9.721 1.00 0.00 C ATOM 119 NE2 HIS A 443 115.975 -20.863 -9.936 1.00 0.00 N ATOM 0 H HIS A 443 119.662 -20.191 -6.029 1.00 0.00 H new ATOM 0 HA HIS A 443 119.387 -20.402 -8.226 1.00 0.00 H new ATOM 0 HB2 HIS A 443 117.977 -17.950 -7.587 1.00 0.00 H new ATOM 0 HB3 HIS A 443 118.718 -17.802 -9.168 1.00 0.00 H new ATOM 0 HD2 HIS A 443 118.095 -21.277 -9.550 1.00 0.00 H new ATOM 0 HE1 HIS A 443 114.173 -19.711 -9.954 1.00 0.00 H new ATOM 0 HE2 HIS A 443 115.657 -21.738 -10.353 1.00 0.00 H new ATOM 128 N SER A 444 120.778 -18.702 -9.941 1.00 0.00 N ATOM 129 CA SER A 444 121.937 -18.248 -10.703 1.00 0.00 C ATOM 130 C SER A 444 122.035 -16.725 -10.693 1.00 0.00 C ATOM 131 O SER A 444 121.342 -16.053 -9.930 1.00 0.00 O ATOM 132 CB SER A 444 121.855 -18.755 -12.144 1.00 0.00 C ATOM 133 OG SER A 444 123.064 -19.386 -12.530 1.00 0.00 O ATOM 0 H SER A 444 119.941 -18.863 -10.502 1.00 0.00 H new ATOM 0 HA SER A 444 122.832 -18.654 -10.231 1.00 0.00 H new ATOM 0 HB2 SER A 444 121.027 -19.458 -12.239 1.00 0.00 H new ATOM 0 HB3 SER A 444 121.645 -17.922 -12.815 1.00 0.00 H new ATOM 0 HG SER A 444 122.987 -19.703 -13.454 1.00 0.00 H new ATOM 139 N ASN A 445 122.901 -16.189 -11.548 1.00 0.00 N ATOM 140 CA ASN A 445 123.094 -14.747 -11.641 1.00 0.00 C ATOM 141 C ASN A 445 121.880 -14.076 -12.276 1.00 0.00 C ATOM 142 O ASN A 445 121.215 -14.657 -13.134 1.00 0.00 O ATOM 143 CB ASN A 445 124.354 -14.432 -12.451 1.00 0.00 C ATOM 144 CG ASN A 445 124.365 -13.017 -13.000 1.00 0.00 C ATOM 145 OD1 ASN A 445 124.661 -12.062 -12.281 1.00 0.00 O ATOM 146 ND2 ASN A 445 124.040 -12.877 -14.280 1.00 0.00 N ATOM 0 H ASN A 445 123.481 -16.733 -12.187 1.00 0.00 H new ATOM 0 HA ASN A 445 123.214 -14.354 -10.632 1.00 0.00 H new ATOM 0 HB2 ASN A 445 125.231 -14.579 -11.821 1.00 0.00 H new ATOM 0 HB3 ASN A 445 124.434 -15.138 -13.278 1.00 0.00 H new ATOM 0 HD21 ASN A 445 124.029 -11.950 -14.705 1.00 0.00 H new ATOM 0 HD22 ASN A 445 123.802 -13.697 -14.838 1.00 0.00 H new ATOM 153 N ALA A 446 121.598 -12.852 -11.849 1.00 0.00 N ATOM 154 CA ALA A 446 120.466 -12.103 -12.376 1.00 0.00 C ATOM 155 C ALA A 446 120.497 -10.657 -11.899 1.00 0.00 C ATOM 156 O ALA A 446 119.653 -10.236 -11.107 1.00 0.00 O ATOM 157 CB ALA A 446 119.151 -12.759 -11.984 1.00 0.00 C ATOM 0 H ALA A 446 122.138 -12.357 -11.139 1.00 0.00 H new ATOM 0 HA ALA A 446 120.544 -12.107 -13.463 1.00 0.00 H new ATOM 0 HB1 ALA A 446 118.321 -12.181 -12.390 1.00 0.00 H new ATOM 0 HB2 ALA A 446 119.117 -13.773 -12.384 1.00 0.00 H new ATOM 0 HB3 ALA A 446 119.072 -12.795 -10.897 1.00 0.00 H new ATOM 163 N THR A 447 121.474 -9.899 -12.384 1.00 0.00 N ATOM 164 CA THR A 447 121.612 -8.498 -12.007 1.00 0.00 C ATOM 165 C THR A 447 120.512 -7.650 -12.635 1.00 0.00 C ATOM 166 O THR A 447 120.564 -7.328 -13.821 1.00 0.00 O ATOM 167 CB THR A 447 122.982 -7.935 -12.426 1.00 0.00 C ATOM 168 OG1 THR A 447 123.611 -8.769 -13.408 1.00 0.00 O ATOM 169 CG2 THR A 447 123.910 -7.820 -11.227 1.00 0.00 C ATOM 0 H THR A 447 122.182 -10.231 -13.039 1.00 0.00 H new ATOM 0 HA THR A 447 121.527 -8.453 -10.921 1.00 0.00 H new ATOM 0 HB THR A 447 122.802 -6.948 -12.852 1.00 0.00 H new ATOM 0 HG1 THR A 447 124.478 -8.385 -13.656 1.00 0.00 H new ATOM 0 HG21 THR A 447 124.872 -7.420 -11.548 1.00 0.00 H new ATOM 0 HG22 THR A 447 123.468 -7.152 -10.488 1.00 0.00 H new ATOM 0 HG23 THR A 447 124.057 -8.805 -10.784 1.00 0.00 H new ATOM 177 N GLY A 448 119.515 -7.293 -11.831 1.00 0.00 N ATOM 178 CA GLY A 448 118.415 -6.486 -12.325 1.00 0.00 C ATOM 179 C GLY A 448 118.245 -5.194 -11.549 1.00 0.00 C ATOM 180 O GLY A 448 119.112 -4.820 -10.759 1.00 0.00 O ATOM 0 H GLY A 448 119.450 -7.549 -10.846 1.00 0.00 H new ATOM 0 HA2 GLY A 448 118.583 -6.254 -13.377 1.00 0.00 H new ATOM 0 HA3 GLY A 448 117.492 -7.063 -12.269 1.00 0.00 H new ATOM 184 N PRO A 449 117.125 -4.487 -11.759 1.00 0.00 N ATOM 185 CA PRO A 449 116.842 -3.222 -11.071 1.00 0.00 C ATOM 186 C PRO A 449 116.682 -3.405 -9.564 1.00 0.00 C ATOM 187 O PRO A 449 116.140 -4.411 -9.106 1.00 0.00 O ATOM 188 CB PRO A 449 115.520 -2.760 -11.694 1.00 0.00 C ATOM 189 CG PRO A 449 114.902 -3.999 -12.245 1.00 0.00 C ATOM 190 CD PRO A 449 116.046 -4.866 -12.684 1.00 0.00 C ATOM 0 HA PRO A 449 117.656 -2.507 -11.189 1.00 0.00 H new ATOM 0 HB2 PRO A 449 114.874 -2.294 -10.950 1.00 0.00 H new ATOM 0 HB3 PRO A 449 115.689 -2.021 -12.477 1.00 0.00 H new ATOM 0 HG2 PRO A 449 114.297 -4.502 -11.491 1.00 0.00 H new ATOM 0 HG3 PRO A 449 114.243 -3.768 -13.082 1.00 0.00 H new ATOM 0 HD2 PRO A 449 115.802 -5.925 -12.606 1.00 0.00 H new ATOM 0 HD3 PRO A 449 116.320 -4.677 -13.722 1.00 0.00 H new ATOM 198 N GLN A 450 117.154 -2.426 -8.798 1.00 0.00 N ATOM 199 CA GLN A 450 117.059 -2.479 -7.343 1.00 0.00 C ATOM 200 C GLN A 450 116.127 -1.389 -6.822 1.00 0.00 C ATOM 201 O GLN A 450 116.577 -0.352 -6.334 1.00 0.00 O ATOM 202 CB GLN A 450 118.444 -2.328 -6.713 1.00 0.00 C ATOM 203 CG GLN A 450 119.042 -3.643 -6.239 1.00 0.00 C ATOM 204 CD GLN A 450 119.146 -3.725 -4.729 1.00 0.00 C ATOM 205 OE1 GLN A 450 119.390 -2.722 -4.059 1.00 0.00 O ATOM 206 NE2 GLN A 450 118.963 -4.923 -4.186 1.00 0.00 N ATOM 0 H GLN A 450 117.606 -1.587 -9.161 1.00 0.00 H new ATOM 0 HA GLN A 450 116.648 -3.449 -7.065 1.00 0.00 H new ATOM 0 HB2 GLN A 450 119.117 -1.873 -7.440 1.00 0.00 H new ATOM 0 HB3 GLN A 450 118.377 -1.643 -5.868 1.00 0.00 H new ATOM 0 HG2 GLN A 450 118.430 -4.468 -6.603 1.00 0.00 H new ATOM 0 HG3 GLN A 450 120.033 -3.765 -6.675 1.00 0.00 H new ATOM 0 HE21 GLN A 450 118.763 -5.727 -4.781 1.00 0.00 H new ATOM 0 HE22 GLN A 450 119.023 -5.039 -3.174 1.00 0.00 H new ATOM 215 N PHE A 451 114.827 -1.633 -6.935 1.00 0.00 N ATOM 216 CA PHE A 451 113.822 -0.677 -6.484 1.00 0.00 C ATOM 217 C PHE A 451 113.444 -0.919 -5.026 1.00 0.00 C ATOM 218 O PHE A 451 113.091 -2.034 -4.645 1.00 0.00 O ATOM 219 CB PHE A 451 112.574 -0.776 -7.363 1.00 0.00 C ATOM 220 CG PHE A 451 111.747 -1.999 -7.088 1.00 0.00 C ATOM 221 CD1 PHE A 451 112.001 -3.190 -7.753 1.00 0.00 C ATOM 222 CD2 PHE A 451 110.717 -1.961 -6.162 1.00 0.00 C ATOM 223 CE1 PHE A 451 111.242 -4.316 -7.499 1.00 0.00 C ATOM 224 CE2 PHE A 451 109.955 -3.085 -5.904 1.00 0.00 C ATOM 225 CZ PHE A 451 110.218 -4.264 -6.574 1.00 0.00 C ATOM 0 H PHE A 451 114.443 -2.488 -7.337 1.00 0.00 H new ATOM 0 HA PHE A 451 114.248 0.323 -6.566 1.00 0.00 H new ATOM 0 HB2 PHE A 451 111.959 0.111 -7.210 1.00 0.00 H new ATOM 0 HB3 PHE A 451 112.875 -0.778 -8.410 1.00 0.00 H new ATOM 0 HD1 PHE A 451 112.801 -3.237 -8.477 1.00 0.00 H new ATOM 0 HD2 PHE A 451 110.507 -1.042 -5.635 1.00 0.00 H new ATOM 0 HE1 PHE A 451 111.449 -5.237 -8.024 1.00 0.00 H new ATOM 0 HE2 PHE A 451 109.155 -3.041 -5.180 1.00 0.00 H new ATOM 0 HZ PHE A 451 109.624 -5.144 -6.375 1.00 0.00 H new ATOM 235 N VAL A 452 113.507 0.136 -4.218 1.00 0.00 N ATOM 236 CA VAL A 452 113.157 0.035 -2.806 1.00 0.00 C ATOM 237 C VAL A 452 111.716 -0.438 -2.647 1.00 0.00 C ATOM 238 O VAL A 452 110.779 0.350 -2.779 1.00 0.00 O ATOM 239 CB VAL A 452 113.321 1.387 -2.086 1.00 0.00 C ATOM 240 CG1 VAL A 452 113.000 1.249 -0.607 1.00 0.00 C ATOM 241 CG2 VAL A 452 114.727 1.934 -2.285 1.00 0.00 C ATOM 0 H VAL A 452 113.796 1.067 -4.517 1.00 0.00 H new ATOM 0 HA VAL A 452 113.837 -0.688 -2.355 1.00 0.00 H new ATOM 0 HB VAL A 452 112.616 2.095 -2.522 1.00 0.00 H new ATOM 0 HG11 VAL A 452 113.122 2.215 -0.117 1.00 0.00 H new ATOM 0 HG12 VAL A 452 111.971 0.909 -0.488 1.00 0.00 H new ATOM 0 HG13 VAL A 452 113.676 0.524 -0.154 1.00 0.00 H new ATOM 0 HG21 VAL A 452 114.822 2.889 -1.769 1.00 0.00 H new ATOM 0 HG22 VAL A 452 115.453 1.229 -1.880 1.00 0.00 H new ATOM 0 HG23 VAL A 452 114.915 2.076 -3.349 1.00 0.00 H new ATOM 251 N SER A 453 111.540 -1.731 -2.380 1.00 0.00 N ATOM 252 CA SER A 453 110.204 -2.306 -2.224 1.00 0.00 C ATOM 253 C SER A 453 109.516 -1.891 -0.917 1.00 0.00 C ATOM 254 O SER A 453 108.535 -2.516 -0.519 1.00 0.00 O ATOM 255 CB SER A 453 110.284 -3.832 -2.296 1.00 0.00 C ATOM 256 OG SER A 453 110.280 -4.405 -1.001 1.00 0.00 O ATOM 0 H SER A 453 112.303 -2.399 -2.267 1.00 0.00 H new ATOM 0 HA SER A 453 109.598 -1.915 -3.042 1.00 0.00 H new ATOM 0 HB2 SER A 453 109.441 -4.217 -2.870 1.00 0.00 H new ATOM 0 HB3 SER A 453 111.190 -4.127 -2.825 1.00 0.00 H new ATOM 0 HG SER A 453 109.448 -4.168 -0.541 1.00 0.00 H new ATOM 262 N GLY A 454 110.002 -0.830 -0.267 1.00 0.00 N ATOM 263 CA GLY A 454 109.389 -0.358 0.968 1.00 0.00 C ATOM 264 C GLY A 454 108.727 -1.457 1.786 1.00 0.00 C ATOM 265 O GLY A 454 107.730 -1.212 2.460 1.00 0.00 O ATOM 0 H GLY A 454 110.810 -0.289 -0.575 1.00 0.00 H new ATOM 0 HA2 GLY A 454 110.151 0.127 1.578 1.00 0.00 H new ATOM 0 HA3 GLY A 454 108.644 0.400 0.726 1.00 0.00 H new ATOM 269 N VAL A 455 109.266 -2.669 1.719 1.00 0.00 N ATOM 270 CA VAL A 455 108.706 -3.799 2.454 1.00 0.00 C ATOM 271 C VAL A 455 107.180 -3.738 2.490 1.00 0.00 C ATOM 272 O VAL A 455 106.596 -3.056 3.332 1.00 0.00 O ATOM 273 CB VAL A 455 109.239 -3.848 3.898 1.00 0.00 C ATOM 274 CG1 VAL A 455 109.244 -5.278 4.418 1.00 0.00 C ATOM 275 CG2 VAL A 455 110.631 -3.240 3.973 1.00 0.00 C ATOM 0 H VAL A 455 110.091 -2.895 1.163 1.00 0.00 H new ATOM 0 HA VAL A 455 109.016 -4.701 1.926 1.00 0.00 H new ATOM 0 HB VAL A 455 108.576 -3.259 4.531 1.00 0.00 H new ATOM 0 HG11 VAL A 455 109.624 -5.292 5.440 1.00 0.00 H new ATOM 0 HG12 VAL A 455 108.229 -5.674 4.403 1.00 0.00 H new ATOM 0 HG13 VAL A 455 109.883 -5.893 3.785 1.00 0.00 H new ATOM 0 HG21 VAL A 455 110.992 -3.283 5.001 1.00 0.00 H new ATOM 0 HG22 VAL A 455 111.308 -3.799 3.327 1.00 0.00 H new ATOM 0 HG23 VAL A 455 110.592 -2.201 3.645 1.00 0.00 H new ATOM 285 N ILE A 456 106.539 -4.459 1.572 1.00 0.00 N ATOM 286 CA ILE A 456 105.080 -4.489 1.502 1.00 0.00 C ATOM 287 C ILE A 456 104.491 -5.377 2.596 1.00 0.00 C ATOM 288 O ILE A 456 104.838 -6.555 2.706 1.00 0.00 O ATOM 289 CB ILE A 456 104.591 -4.991 0.131 1.00 0.00 C ATOM 290 CG1 ILE A 456 105.103 -4.077 -0.982 1.00 0.00 C ATOM 291 CG2 ILE A 456 103.072 -5.065 0.106 1.00 0.00 C ATOM 292 CD1 ILE A 456 104.548 -2.670 -0.914 1.00 0.00 C ATOM 0 H ILE A 456 107.007 -5.029 0.867 1.00 0.00 H new ATOM 0 HA ILE A 456 104.739 -3.464 1.648 1.00 0.00 H new ATOM 0 HB ILE A 456 104.987 -5.993 -0.036 1.00 0.00 H new ATOM 0 HG12 ILE A 456 106.191 -4.032 -0.932 1.00 0.00 H new ATOM 0 HG13 ILE A 456 104.846 -4.514 -1.947 1.00 0.00 H new ATOM 0 HG21 ILE A 456 102.741 -5.421 -0.869 1.00 0.00 H new ATOM 0 HG22 ILE A 456 102.728 -5.752 0.879 1.00 0.00 H new ATOM 0 HG23 ILE A 456 102.656 -4.074 0.290 1.00 0.00 H new ATOM 0 HD11 ILE A 456 104.955 -2.078 -1.734 1.00 0.00 H new ATOM 0 HD12 ILE A 456 103.461 -2.703 -0.994 1.00 0.00 H new ATOM 0 HD13 ILE A 456 104.828 -2.214 0.036 1.00 0.00 H new ATOM 304 N VAL A 457 103.579 -4.812 3.385 1.00 0.00 N ATOM 305 CA VAL A 457 102.918 -5.553 4.454 1.00 0.00 C ATOM 306 C VAL A 457 101.435 -5.735 4.148 1.00 0.00 C ATOM 307 O VAL A 457 100.669 -4.775 4.182 1.00 0.00 O ATOM 308 CB VAL A 457 103.066 -4.845 5.813 1.00 0.00 C ATOM 309 CG1 VAL A 457 102.211 -5.530 6.866 1.00 0.00 C ATOM 310 CG2 VAL A 457 104.525 -4.808 6.243 1.00 0.00 C ATOM 0 H VAL A 457 103.281 -3.840 3.302 1.00 0.00 H new ATOM 0 HA VAL A 457 103.404 -6.527 4.512 1.00 0.00 H new ATOM 0 HB VAL A 457 102.718 -3.818 5.705 1.00 0.00 H new ATOM 0 HG11 VAL A 457 102.328 -5.016 7.820 1.00 0.00 H new ATOM 0 HG12 VAL A 457 101.165 -5.498 6.562 1.00 0.00 H new ATOM 0 HG13 VAL A 457 102.526 -6.568 6.972 1.00 0.00 H new ATOM 0 HG21 VAL A 457 104.608 -4.304 7.206 1.00 0.00 H new ATOM 0 HG22 VAL A 457 104.904 -5.826 6.333 1.00 0.00 H new ATOM 0 HG23 VAL A 457 105.110 -4.268 5.499 1.00 0.00 H new ATOM 320 N LYS A 458 101.031 -6.964 3.847 1.00 0.00 N ATOM 321 CA LYS A 458 99.633 -7.246 3.531 1.00 0.00 C ATOM 322 C LYS A 458 98.820 -7.512 4.796 1.00 0.00 C ATOM 323 O LYS A 458 99.055 -8.493 5.501 1.00 0.00 O ATOM 324 CB LYS A 458 99.535 -8.446 2.588 1.00 0.00 C ATOM 325 CG LYS A 458 98.112 -8.932 2.368 1.00 0.00 C ATOM 326 CD LYS A 458 98.064 -10.437 2.159 1.00 0.00 C ATOM 327 CE LYS A 458 96.634 -10.942 2.060 1.00 0.00 C ATOM 328 NZ LYS A 458 96.576 -12.376 1.663 1.00 0.00 N ATOM 0 H LYS A 458 101.646 -7.777 3.815 1.00 0.00 H new ATOM 0 HA LYS A 458 99.219 -6.366 3.039 1.00 0.00 H new ATOM 0 HB2 LYS A 458 99.971 -8.178 1.626 1.00 0.00 H new ATOM 0 HB3 LYS A 458 100.131 -9.264 2.992 1.00 0.00 H new ATOM 0 HG2 LYS A 458 97.498 -8.663 3.227 1.00 0.00 H new ATOM 0 HG3 LYS A 458 97.685 -8.429 1.500 1.00 0.00 H new ATOM 0 HD2 LYS A 458 98.606 -10.696 1.249 1.00 0.00 H new ATOM 0 HD3 LYS A 458 98.571 -10.936 2.985 1.00 0.00 H new ATOM 0 HE2 LYS A 458 96.136 -10.811 3.021 1.00 0.00 H new ATOM 0 HE3 LYS A 458 96.087 -10.342 1.333 1.00 0.00 H new ATOM 0 HZ1 LYS A 458 95.583 -12.681 1.607 1.00 0.00 H new ATOM 0 HZ2 LYS A 458 97.028 -12.498 0.735 1.00 0.00 H new ATOM 0 HZ3 LYS A 458 97.076 -12.952 2.370 1.00 0.00 H new ATOM 342 N ILE A 459 97.846 -6.643 5.064 1.00 0.00 N ATOM 343 CA ILE A 459 96.982 -6.800 6.230 1.00 0.00 C ATOM 344 C ILE A 459 95.549 -7.114 5.817 1.00 0.00 C ATOM 345 O ILE A 459 94.921 -6.350 5.084 1.00 0.00 O ATOM 346 CB ILE A 459 96.972 -5.545 7.121 1.00 0.00 C ATOM 347 CG1 ILE A 459 98.397 -5.160 7.519 1.00 0.00 C ATOM 348 CG2 ILE A 459 96.114 -5.789 8.359 1.00 0.00 C ATOM 349 CD1 ILE A 459 98.459 -4.027 8.520 1.00 0.00 C ATOM 0 H ILE A 459 97.637 -5.826 4.491 1.00 0.00 H new ATOM 0 HA ILE A 459 97.394 -7.633 6.800 1.00 0.00 H new ATOM 0 HB ILE A 459 96.542 -4.717 6.557 1.00 0.00 H new ATOM 0 HG12 ILE A 459 98.897 -6.033 7.939 1.00 0.00 H new ATOM 0 HG13 ILE A 459 98.951 -4.875 6.625 1.00 0.00 H new ATOM 0 HG21 ILE A 459 96.113 -4.895 8.983 1.00 0.00 H new ATOM 0 HG22 ILE A 459 95.093 -6.020 8.054 1.00 0.00 H new ATOM 0 HG23 ILE A 459 96.522 -6.626 8.925 1.00 0.00 H new ATOM 0 HD11 ILE A 459 99.500 -3.807 8.757 1.00 0.00 H new ATOM 0 HD12 ILE A 459 97.988 -3.140 8.095 1.00 0.00 H new ATOM 0 HD13 ILE A 459 97.933 -4.316 9.430 1.00 0.00 H new ATOM 361 N ILE A 460 95.029 -8.226 6.315 1.00 0.00 N ATOM 362 CA ILE A 460 93.658 -8.621 6.020 1.00 0.00 C ATOM 363 C ILE A 460 92.931 -9.018 7.299 1.00 0.00 C ATOM 364 O ILE A 460 93.484 -9.713 8.148 1.00 0.00 O ATOM 365 CB ILE A 460 93.593 -9.776 4.997 1.00 0.00 C ATOM 366 CG1 ILE A 460 92.182 -9.899 4.422 1.00 0.00 C ATOM 367 CG2 ILE A 460 94.029 -11.089 5.627 1.00 0.00 C ATOM 368 CD1 ILE A 460 91.256 -10.751 5.264 1.00 0.00 C ATOM 0 H ILE A 460 95.534 -8.870 6.924 1.00 0.00 H new ATOM 0 HA ILE A 460 93.164 -7.757 5.576 1.00 0.00 H new ATOM 0 HB ILE A 460 94.282 -9.548 4.184 1.00 0.00 H new ATOM 0 HG12 ILE A 460 91.752 -8.902 4.320 1.00 0.00 H new ATOM 0 HG13 ILE A 460 92.243 -10.324 3.420 1.00 0.00 H new ATOM 0 HG21 ILE A 460 93.973 -11.885 4.884 1.00 0.00 H new ATOM 0 HG22 ILE A 460 95.054 -10.998 5.985 1.00 0.00 H new ATOM 0 HG23 ILE A 460 93.372 -11.327 6.464 1.00 0.00 H new ATOM 0 HD11 ILE A 460 90.273 -10.793 4.795 1.00 0.00 H new ATOM 0 HD12 ILE A 460 91.663 -11.759 5.346 1.00 0.00 H new ATOM 0 HD13 ILE A 460 91.165 -10.315 6.259 1.00 0.00 H new ATOM 380 N SER A 461 91.694 -8.559 7.441 1.00 0.00 N ATOM 381 CA SER A 461 90.907 -8.865 8.627 1.00 0.00 C ATOM 382 C SER A 461 89.614 -9.575 8.251 1.00 0.00 C ATOM 383 O SER A 461 89.449 -10.036 7.122 1.00 0.00 O ATOM 384 CB SER A 461 90.594 -7.586 9.404 1.00 0.00 C ATOM 385 OG SER A 461 89.721 -6.743 8.671 1.00 0.00 O ATOM 0 H SER A 461 91.217 -7.976 6.753 1.00 0.00 H new ATOM 0 HA SER A 461 91.495 -9.529 9.260 1.00 0.00 H new ATOM 0 HB2 SER A 461 90.139 -7.841 10.361 1.00 0.00 H new ATOM 0 HB3 SER A 461 91.520 -7.054 9.622 1.00 0.00 H new ATOM 0 HG SER A 461 89.836 -6.908 7.712 1.00 0.00 H new ATOM 391 N THR A 462 88.700 -9.658 9.207 1.00 0.00 N ATOM 392 CA THR A 462 87.417 -10.313 8.982 1.00 0.00 C ATOM 393 C THR A 462 86.262 -9.326 9.113 1.00 0.00 C ATOM 394 O THR A 462 85.125 -9.638 8.758 1.00 0.00 O ATOM 395 CB THR A 462 87.198 -11.476 9.968 1.00 0.00 C ATOM 396 OG1 THR A 462 87.902 -11.261 11.197 1.00 0.00 O ATOM 397 CG2 THR A 462 87.668 -12.791 9.365 1.00 0.00 C ATOM 0 H THR A 462 88.822 -9.280 10.147 1.00 0.00 H new ATOM 0 HA THR A 462 87.440 -10.707 7.966 1.00 0.00 H new ATOM 0 HB THR A 462 86.128 -11.522 10.171 1.00 0.00 H new ATOM 0 HG1 THR A 462 87.742 -12.015 11.802 1.00 0.00 H new ATOM 0 HG21 THR A 462 87.504 -13.598 10.079 1.00 0.00 H new ATOM 0 HG22 THR A 462 87.107 -12.994 8.453 1.00 0.00 H new ATOM 0 HG23 THR A 462 88.730 -12.725 9.131 1.00 0.00 H new ATOM 405 N GLU A 463 86.565 -8.136 9.621 1.00 0.00 N ATOM 406 CA GLU A 463 85.559 -7.093 9.804 1.00 0.00 C ATOM 407 C GLU A 463 85.977 -6.129 10.908 1.00 0.00 C ATOM 408 O GLU A 463 85.875 -4.912 10.757 1.00 0.00 O ATOM 409 CB GLU A 463 84.201 -7.708 10.145 1.00 0.00 C ATOM 410 CG GLU A 463 83.233 -7.737 8.973 1.00 0.00 C ATOM 411 CD GLU A 463 82.100 -6.742 9.127 1.00 0.00 C ATOM 412 OE1 GLU A 463 80.930 -7.144 8.960 1.00 0.00 O ATOM 413 OE2 GLU A 463 82.383 -5.560 9.416 1.00 0.00 O ATOM 0 H GLU A 463 87.504 -7.868 9.915 1.00 0.00 H new ATOM 0 HA GLU A 463 85.474 -6.542 8.867 1.00 0.00 H new ATOM 0 HB2 GLU A 463 84.353 -8.726 10.505 1.00 0.00 H new ATOM 0 HB3 GLU A 463 83.752 -7.144 10.963 1.00 0.00 H new ATOM 0 HG2 GLU A 463 83.776 -7.523 8.053 1.00 0.00 H new ATOM 0 HG3 GLU A 463 82.819 -8.740 8.873 1.00 0.00 H new ATOM 420 N PRO A 464 86.455 -6.670 12.039 1.00 0.00 N ATOM 421 CA PRO A 464 86.890 -5.866 13.182 1.00 0.00 C ATOM 422 C PRO A 464 87.758 -4.680 12.770 1.00 0.00 C ATOM 423 O PRO A 464 87.854 -3.692 13.497 1.00 0.00 O ATOM 424 CB PRO A 464 87.696 -6.859 14.015 1.00 0.00 C ATOM 425 CG PRO A 464 87.074 -8.181 13.723 1.00 0.00 C ATOM 426 CD PRO A 464 86.604 -8.116 12.292 1.00 0.00 C ATOM 0 HA PRO A 464 86.049 -5.421 13.713 1.00 0.00 H new ATOM 0 HB2 PRO A 464 88.750 -6.846 13.738 1.00 0.00 H new ATOM 0 HB3 PRO A 464 87.643 -6.621 15.077 1.00 0.00 H new ATOM 0 HG2 PRO A 464 87.793 -8.989 13.861 1.00 0.00 H new ATOM 0 HG3 PRO A 464 86.241 -8.377 14.398 1.00 0.00 H new ATOM 0 HD2 PRO A 464 87.326 -8.569 11.612 1.00 0.00 H new ATOM 0 HD3 PRO A 464 85.661 -8.646 12.156 1.00 0.00 H new ATOM 434 N LEU A 465 88.387 -4.780 11.602 1.00 0.00 N ATOM 435 CA LEU A 465 89.241 -3.705 11.108 1.00 0.00 C ATOM 436 C LEU A 465 88.626 -2.345 11.423 1.00 0.00 C ATOM 437 O LEU A 465 87.607 -1.967 10.847 1.00 0.00 O ATOM 438 CB LEU A 465 89.460 -3.844 9.601 1.00 0.00 C ATOM 439 CG LEU A 465 90.910 -3.668 9.139 1.00 0.00 C ATOM 440 CD1 LEU A 465 91.245 -4.663 8.040 1.00 0.00 C ATOM 441 CD2 LEU A 465 91.146 -2.244 8.660 1.00 0.00 C ATOM 0 H LEU A 465 88.322 -5.589 10.984 1.00 0.00 H new ATOM 0 HA LEU A 465 90.205 -3.778 11.611 1.00 0.00 H new ATOM 0 HB2 LEU A 465 89.111 -4.828 9.288 1.00 0.00 H new ATOM 0 HB3 LEU A 465 88.840 -3.108 9.089 1.00 0.00 H new ATOM 0 HG LEU A 465 91.567 -3.860 9.987 1.00 0.00 H new ATOM 0 HD11 LEU A 465 92.279 -4.523 7.725 1.00 0.00 H new ATOM 0 HD12 LEU A 465 91.115 -5.678 8.416 1.00 0.00 H new ATOM 0 HD13 LEU A 465 90.582 -4.503 7.190 1.00 0.00 H new ATOM 0 HD21 LEU A 465 92.181 -2.136 8.335 1.00 0.00 H new ATOM 0 HD22 LEU A 465 90.479 -2.026 7.826 1.00 0.00 H new ATOM 0 HD23 LEU A 465 90.947 -1.548 9.475 1.00 0.00 H new ATOM 453 N PRO A 466 89.238 -1.596 12.351 1.00 0.00 N ATOM 454 CA PRO A 466 88.749 -0.273 12.756 1.00 0.00 C ATOM 455 C PRO A 466 88.742 0.732 11.608 1.00 0.00 C ATOM 456 O PRO A 466 87.778 1.476 11.429 1.00 0.00 O ATOM 457 CB PRO A 466 89.741 0.167 13.838 1.00 0.00 C ATOM 458 CG PRO A 466 90.952 -0.675 13.624 1.00 0.00 C ATOM 459 CD PRO A 466 90.453 -1.984 13.083 1.00 0.00 C ATOM 0 HA PRO A 466 87.715 -0.320 13.098 1.00 0.00 H new ATOM 0 HB2 PRO A 466 89.978 1.227 13.748 1.00 0.00 H new ATOM 0 HB3 PRO A 466 89.328 0.017 14.835 1.00 0.00 H new ATOM 0 HG2 PRO A 466 91.639 -0.200 12.924 1.00 0.00 H new ATOM 0 HG3 PRO A 466 91.497 -0.820 14.557 1.00 0.00 H new ATOM 0 HD2 PRO A 466 91.186 -2.456 12.428 1.00 0.00 H new ATOM 0 HD3 PRO A 466 90.235 -2.694 13.881 1.00 0.00 H new ATOM 467 N GLY A 467 89.821 0.750 10.833 1.00 0.00 N ATOM 468 CA GLY A 467 89.914 1.671 9.714 1.00 0.00 C ATOM 469 C GLY A 467 91.350 1.986 9.344 1.00 0.00 C ATOM 470 O GLY A 467 92.281 1.483 9.971 1.00 0.00 O ATOM 0 H GLY A 467 90.632 0.144 10.959 1.00 0.00 H new ATOM 0 HA2 GLY A 467 89.405 1.243 8.851 1.00 0.00 H new ATOM 0 HA3 GLY A 467 89.395 2.596 9.964 1.00 0.00 H new ATOM 474 N ARG A 468 91.533 2.835 8.337 1.00 0.00 N ATOM 475 CA ARG A 468 92.869 3.225 7.904 1.00 0.00 C ATOM 476 C ARG A 468 93.609 3.948 9.024 1.00 0.00 C ATOM 477 O ARG A 468 94.799 3.729 9.243 1.00 0.00 O ATOM 478 CB ARG A 468 92.789 4.118 6.662 1.00 0.00 C ATOM 479 CG ARG A 468 92.680 5.601 6.976 1.00 0.00 C ATOM 480 CD ARG A 468 92.178 6.390 5.779 1.00 0.00 C ATOM 481 NE ARG A 468 93.079 7.485 5.428 1.00 0.00 N ATOM 482 CZ ARG A 468 94.128 7.345 4.624 1.00 0.00 C ATOM 483 NH1 ARG A 468 94.405 6.162 4.092 1.00 0.00 N ATOM 484 NH2 ARG A 468 94.900 8.388 4.351 1.00 0.00 N ATOM 0 H ARG A 468 90.775 3.265 7.807 1.00 0.00 H new ATOM 0 HA ARG A 468 93.423 2.321 7.651 1.00 0.00 H new ATOM 0 HB2 ARG A 468 93.674 3.951 6.049 1.00 0.00 H new ATOM 0 HB3 ARG A 468 91.927 3.818 6.066 1.00 0.00 H new ATOM 0 HG2 ARG A 468 92.004 5.747 7.818 1.00 0.00 H new ATOM 0 HG3 ARG A 468 93.655 5.982 7.281 1.00 0.00 H new ATOM 0 HD2 ARG A 468 92.069 5.722 4.924 1.00 0.00 H new ATOM 0 HD3 ARG A 468 91.188 6.791 5.998 1.00 0.00 H new ATOM 0 HE ARG A 468 92.893 8.407 5.821 1.00 0.00 H new ATOM 0 HH11 ARG A 468 93.813 5.358 4.300 1.00 0.00 H new ATOM 0 HH12 ARG A 468 95.210 6.056 3.475 1.00 0.00 H new ATOM 0 HH21 ARG A 468 94.689 9.299 4.758 1.00 0.00 H new ATOM 0 HH22 ARG A 468 95.705 8.279 3.734 1.00 0.00 H new ATOM 498 N LYS A 469 92.889 4.818 9.727 1.00 0.00 N ATOM 499 CA LYS A 469 93.466 5.585 10.825 1.00 0.00 C ATOM 500 C LYS A 469 93.951 4.665 11.940 1.00 0.00 C ATOM 501 O LYS A 469 95.023 4.876 12.507 1.00 0.00 O ATOM 502 CB LYS A 469 92.439 6.576 11.376 1.00 0.00 C ATOM 503 CG LYS A 469 91.167 5.913 11.881 1.00 0.00 C ATOM 504 CD LYS A 469 90.117 6.941 12.265 1.00 0.00 C ATOM 505 CE LYS A 469 88.909 6.875 11.345 1.00 0.00 C ATOM 506 NZ LYS A 469 89.184 7.501 10.021 1.00 0.00 N ATOM 0 H LYS A 469 91.902 5.009 9.554 1.00 0.00 H new ATOM 0 HA LYS A 469 94.323 6.136 10.438 1.00 0.00 H new ATOM 0 HB2 LYS A 469 92.892 7.142 12.190 1.00 0.00 H new ATOM 0 HB3 LYS A 469 92.181 7.292 10.595 1.00 0.00 H new ATOM 0 HG2 LYS A 469 90.768 5.255 11.109 1.00 0.00 H new ATOM 0 HG3 LYS A 469 91.399 5.289 12.744 1.00 0.00 H new ATOM 0 HD2 LYS A 469 89.801 6.773 13.295 1.00 0.00 H new ATOM 0 HD3 LYS A 469 90.552 7.940 12.224 1.00 0.00 H new ATOM 0 HE2 LYS A 469 88.619 5.834 11.201 1.00 0.00 H new ATOM 0 HE3 LYS A 469 88.065 7.379 11.817 1.00 0.00 H new ATOM 0 HZ1 LYS A 469 88.336 7.435 9.423 1.00 0.00 H new ATOM 0 HZ2 LYS A 469 89.436 8.501 10.155 1.00 0.00 H new ATOM 0 HZ3 LYS A 469 89.972 7.004 9.559 1.00 0.00 H new ATOM 520 N GLN A 470 93.154 3.649 12.256 1.00 0.00 N ATOM 521 CA GLN A 470 93.506 2.707 13.312 1.00 0.00 C ATOM 522 C GLN A 470 94.571 1.722 12.837 1.00 0.00 C ATOM 523 O GLN A 470 95.533 1.449 13.554 1.00 0.00 O ATOM 524 CB GLN A 470 92.266 1.951 13.787 1.00 0.00 C ATOM 525 CG GLN A 470 91.386 2.764 14.723 1.00 0.00 C ATOM 526 CD GLN A 470 90.309 3.535 13.985 1.00 0.00 C ATOM 527 OE1 GLN A 470 90.242 3.509 12.756 1.00 0.00 O ATOM 528 NE2 GLN A 470 89.458 4.227 14.733 1.00 0.00 N ATOM 0 H GLN A 470 92.263 3.458 11.798 1.00 0.00 H new ATOM 0 HA GLN A 470 93.915 3.276 14.147 1.00 0.00 H new ATOM 0 HB2 GLN A 470 91.679 1.649 12.920 1.00 0.00 H new ATOM 0 HB3 GLN A 470 92.578 1.038 14.295 1.00 0.00 H new ATOM 0 HG2 GLN A 470 90.919 2.097 15.448 1.00 0.00 H new ATOM 0 HG3 GLN A 470 92.007 3.461 15.285 1.00 0.00 H new ATOM 0 HE21 GLN A 470 89.550 4.221 15.749 1.00 0.00 H new ATOM 0 HE22 GLN A 470 88.712 4.765 14.292 1.00 0.00 H new ATOM 537 N VAL A 471 94.404 1.200 11.625 1.00 0.00 N ATOM 538 CA VAL A 471 95.371 0.260 11.072 1.00 0.00 C ATOM 539 C VAL A 471 96.719 0.947 10.887 1.00 0.00 C ATOM 540 O VAL A 471 97.766 0.403 11.239 1.00 0.00 O ATOM 541 CB VAL A 471 94.902 -0.310 9.719 1.00 0.00 C ATOM 542 CG1 VAL A 471 95.989 -1.174 9.099 1.00 0.00 C ATOM 543 CG2 VAL A 471 93.614 -1.103 9.886 1.00 0.00 C ATOM 0 H VAL A 471 93.616 1.410 11.013 1.00 0.00 H new ATOM 0 HA VAL A 471 95.466 -0.566 11.777 1.00 0.00 H new ATOM 0 HB VAL A 471 94.702 0.524 9.047 1.00 0.00 H new ATOM 0 HG11 VAL A 471 95.640 -1.568 8.144 1.00 0.00 H new ATOM 0 HG12 VAL A 471 96.884 -0.573 8.938 1.00 0.00 H new ATOM 0 HG13 VAL A 471 96.223 -2.001 9.769 1.00 0.00 H new ATOM 0 HG21 VAL A 471 93.301 -1.496 8.919 1.00 0.00 H new ATOM 0 HG22 VAL A 471 93.782 -1.929 10.576 1.00 0.00 H new ATOM 0 HG23 VAL A 471 92.835 -0.452 10.283 1.00 0.00 H new ATOM 553 N ARG A 472 96.675 2.161 10.351 1.00 0.00 N ATOM 554 CA ARG A 472 97.880 2.949 10.139 1.00 0.00 C ATOM 555 C ARG A 472 98.530 3.276 11.475 1.00 0.00 C ATOM 556 O ARG A 472 99.746 3.168 11.634 1.00 0.00 O ATOM 557 CB ARG A 472 97.547 4.238 9.387 1.00 0.00 C ATOM 558 CG ARG A 472 96.875 5.293 10.250 1.00 0.00 C ATOM 559 CD ARG A 472 96.616 6.569 9.465 1.00 0.00 C ATOM 560 NE ARG A 472 96.419 7.721 10.341 1.00 0.00 N ATOM 561 CZ ARG A 472 96.642 8.976 9.968 1.00 0.00 C ATOM 562 NH1 ARG A 472 97.065 9.240 8.738 1.00 0.00 N ATOM 563 NH2 ARG A 472 96.442 9.970 10.822 1.00 0.00 N ATOM 0 H ARG A 472 95.814 2.621 10.055 1.00 0.00 H new ATOM 0 HA ARG A 472 98.578 2.366 9.538 1.00 0.00 H new ATOM 0 HB2 ARG A 472 98.465 4.653 8.971 1.00 0.00 H new ATOM 0 HB3 ARG A 472 96.895 4.000 8.547 1.00 0.00 H new ATOM 0 HG2 ARG A 472 95.933 4.904 10.636 1.00 0.00 H new ATOM 0 HG3 ARG A 472 97.504 5.515 11.112 1.00 0.00 H new ATOM 0 HD2 ARG A 472 97.456 6.761 8.798 1.00 0.00 H new ATOM 0 HD3 ARG A 472 95.735 6.436 8.838 1.00 0.00 H new ATOM 0 HE ARG A 472 96.092 7.552 11.292 1.00 0.00 H new ATOM 0 HH11 ARG A 472 97.219 8.478 8.077 1.00 0.00 H new ATOM 0 HH12 ARG A 472 97.236 10.205 8.453 1.00 0.00 H new ATOM 0 HH21 ARG A 472 96.116 9.772 11.768 1.00 0.00 H new ATOM 0 HH22 ARG A 472 96.614 10.933 10.533 1.00 0.00 H new ATOM 577 N ASP A 473 97.699 3.672 12.437 1.00 0.00 N ATOM 578 CA ASP A 473 98.174 4.014 13.770 1.00 0.00 C ATOM 579 C ASP A 473 98.802 2.803 14.444 1.00 0.00 C ATOM 580 O ASP A 473 99.816 2.918 15.130 1.00 0.00 O ATOM 581 CB ASP A 473 97.020 4.545 14.621 1.00 0.00 C ATOM 582 CG ASP A 473 97.487 5.070 15.964 1.00 0.00 C ATOM 583 OD1 ASP A 473 98.063 6.179 16.001 1.00 0.00 O ATOM 584 OD2 ASP A 473 97.276 4.374 16.980 1.00 0.00 O ATOM 0 H ASP A 473 96.691 3.763 12.314 1.00 0.00 H new ATOM 0 HA ASP A 473 98.933 4.790 13.675 1.00 0.00 H new ATOM 0 HB2 ASP A 473 96.510 5.342 14.080 1.00 0.00 H new ATOM 0 HB3 ASP A 473 96.292 3.749 14.778 1.00 0.00 H new ATOM 589 N THR A 474 98.197 1.637 14.238 1.00 0.00 N ATOM 590 CA THR A 474 98.708 0.405 14.820 1.00 0.00 C ATOM 591 C THR A 474 100.099 0.099 14.277 1.00 0.00 C ATOM 592 O THR A 474 101.107 0.297 14.963 1.00 0.00 O ATOM 593 CB THR A 474 97.772 -0.789 14.531 1.00 0.00 C ATOM 594 OG1 THR A 474 97.324 -0.789 13.171 1.00 0.00 O ATOM 595 CG2 THR A 474 96.549 -0.753 15.436 1.00 0.00 C ATOM 0 H THR A 474 97.355 1.522 13.674 1.00 0.00 H new ATOM 0 HA THR A 474 98.759 0.551 15.899 1.00 0.00 H new ATOM 0 HB THR A 474 98.351 -1.693 14.722 1.00 0.00 H new ATOM 0 HG1 THR A 474 97.793 -0.088 12.672 1.00 0.00 H new ATOM 0 HG21 THR A 474 95.906 -1.604 15.213 1.00 0.00 H new ATOM 0 HG22 THR A 474 96.866 -0.801 16.478 1.00 0.00 H new ATOM 0 HG23 THR A 474 95.998 0.172 15.267 1.00 0.00 H new ATOM 603 N LEU A 475 100.154 -0.395 13.046 1.00 0.00 N ATOM 604 CA LEU A 475 101.428 -0.729 12.426 1.00 0.00 C ATOM 605 C LEU A 475 102.467 0.353 12.704 1.00 0.00 C ATOM 606 O LEU A 475 103.622 0.051 13.004 1.00 0.00 O ATOM 607 CB LEU A 475 101.248 -0.899 10.917 1.00 0.00 C ATOM 608 CG LEU A 475 100.420 0.197 10.244 1.00 0.00 C ATOM 609 CD1 LEU A 475 101.327 1.193 9.538 1.00 0.00 C ATOM 610 CD2 LEU A 475 99.428 -0.411 9.264 1.00 0.00 C ATOM 0 H LEU A 475 99.337 -0.572 12.462 1.00 0.00 H new ATOM 0 HA LEU A 475 101.781 -1.667 12.855 1.00 0.00 H new ATOM 0 HB2 LEU A 475 102.232 -0.931 10.449 1.00 0.00 H new ATOM 0 HB3 LEU A 475 100.773 -1.862 10.728 1.00 0.00 H new ATOM 0 HG LEU A 475 99.861 0.728 11.014 1.00 0.00 H new ATOM 0 HD11 LEU A 475 100.721 1.965 9.065 1.00 0.00 H new ATOM 0 HD12 LEU A 475 101.998 1.652 10.264 1.00 0.00 H new ATOM 0 HD13 LEU A 475 101.913 0.676 8.778 1.00 0.00 H new ATOM 0 HD21 LEU A 475 98.847 0.383 8.794 1.00 0.00 H new ATOM 0 HD22 LEU A 475 99.968 -0.967 8.498 1.00 0.00 H new ATOM 0 HD23 LEU A 475 98.757 -1.085 9.797 1.00 0.00 H new ATOM 622 N ALA A 476 102.051 1.615 12.611 1.00 0.00 N ATOM 623 CA ALA A 476 102.957 2.728 12.865 1.00 0.00 C ATOM 624 C ALA A 476 103.314 2.809 14.346 1.00 0.00 C ATOM 625 O ALA A 476 104.376 3.310 14.715 1.00 0.00 O ATOM 626 CB ALA A 476 102.350 4.042 12.394 1.00 0.00 C ATOM 0 H ALA A 476 101.100 1.889 12.364 1.00 0.00 H new ATOM 0 HA ALA A 476 103.871 2.550 12.299 1.00 0.00 H new ATOM 0 HB1 ALA A 476 103.046 4.857 12.595 1.00 0.00 H new ATOM 0 HB2 ALA A 476 102.153 3.989 11.323 1.00 0.00 H new ATOM 0 HB3 ALA A 476 101.416 4.223 12.926 1.00 0.00 H new ATOM 632 N ALA A 477 102.413 2.314 15.190 1.00 0.00 N ATOM 633 CA ALA A 477 102.624 2.330 16.631 1.00 0.00 C ATOM 634 C ALA A 477 103.760 1.394 17.017 1.00 0.00 C ATOM 635 O ALA A 477 104.451 1.615 18.012 1.00 0.00 O ATOM 636 CB ALA A 477 101.351 1.952 17.374 1.00 0.00 C ATOM 0 H ALA A 477 101.529 1.897 14.899 1.00 0.00 H new ATOM 0 HA ALA A 477 102.897 3.345 16.918 1.00 0.00 H new ATOM 0 HB1 ALA A 477 101.537 1.972 18.448 1.00 0.00 H new ATOM 0 HB2 ALA A 477 100.562 2.663 17.129 1.00 0.00 H new ATOM 0 HB3 ALA A 477 101.041 0.950 17.078 1.00 0.00 H new ATOM 642 N ILE A 478 103.956 0.354 16.214 1.00 0.00 N ATOM 643 CA ILE A 478 105.022 -0.610 16.467 1.00 0.00 C ATOM 644 C ILE A 478 106.360 -0.071 15.967 1.00 0.00 C ATOM 645 O ILE A 478 107.415 -0.391 16.517 1.00 0.00 O ATOM 646 CB ILE A 478 104.727 -1.973 15.800 1.00 0.00 C ATOM 647 CG1 ILE A 478 103.719 -2.759 16.638 1.00 0.00 C ATOM 648 CG2 ILE A 478 106.006 -2.783 15.618 1.00 0.00 C ATOM 649 CD1 ILE A 478 102.327 -2.779 16.048 1.00 0.00 C ATOM 0 H ILE A 478 103.394 0.157 15.386 1.00 0.00 H new ATOM 0 HA ILE A 478 105.074 -0.763 17.545 1.00 0.00 H new ATOM 0 HB ILE A 478 104.303 -1.785 14.814 1.00 0.00 H new ATOM 0 HG12 ILE A 478 104.072 -3.784 16.749 1.00 0.00 H new ATOM 0 HG13 ILE A 478 103.675 -2.327 17.638 1.00 0.00 H new ATOM 0 HG21 ILE A 478 105.769 -3.737 15.147 1.00 0.00 H new ATOM 0 HG22 ILE A 478 106.701 -2.229 14.987 1.00 0.00 H new ATOM 0 HG23 ILE A 478 106.464 -2.963 16.591 1.00 0.00 H new ATOM 0 HD11 ILE A 478 101.666 -3.354 16.696 1.00 0.00 H new ATOM 0 HD12 ILE A 478 101.953 -1.759 15.962 1.00 0.00 H new ATOM 0 HD13 ILE A 478 102.357 -3.238 15.060 1.00 0.00 H new ATOM 661 N SER A 479 106.308 0.750 14.923 1.00 0.00 N ATOM 662 CA SER A 479 107.515 1.334 14.348 1.00 0.00 C ATOM 663 C SER A 479 107.176 2.233 13.164 1.00 0.00 C ATOM 664 O SER A 479 106.224 1.973 12.426 1.00 0.00 O ATOM 665 CB SER A 479 108.478 0.231 13.906 1.00 0.00 C ATOM 666 OG SER A 479 109.235 -0.256 15.000 1.00 0.00 O ATOM 0 H SER A 479 105.443 1.026 14.458 1.00 0.00 H new ATOM 0 HA SER A 479 107.995 1.942 15.115 1.00 0.00 H new ATOM 0 HB2 SER A 479 107.916 -0.587 13.456 1.00 0.00 H new ATOM 0 HB3 SER A 479 109.149 0.616 13.139 1.00 0.00 H new ATOM 0 HG SER A 479 108.780 -0.032 15.838 1.00 0.00 H new ATOM 672 N GLU A 480 107.962 3.291 12.986 1.00 0.00 N ATOM 673 CA GLU A 480 107.750 4.230 11.891 1.00 0.00 C ATOM 674 C GLU A 480 107.744 3.506 10.550 1.00 0.00 C ATOM 675 O GLU A 480 108.709 2.830 10.195 1.00 0.00 O ATOM 676 CB GLU A 480 108.837 5.307 11.895 1.00 0.00 C ATOM 677 CG GLU A 480 108.292 6.723 11.977 1.00 0.00 C ATOM 678 CD GLU A 480 108.961 7.662 10.992 1.00 0.00 C ATOM 679 OE1 GLU A 480 109.666 8.591 11.441 1.00 0.00 O ATOM 680 OE2 GLU A 480 108.779 7.468 9.772 1.00 0.00 O ATOM 0 H GLU A 480 108.753 3.519 13.588 1.00 0.00 H new ATOM 0 HA GLU A 480 106.779 4.703 12.035 1.00 0.00 H new ATOM 0 HB2 GLU A 480 109.504 5.134 12.739 1.00 0.00 H new ATOM 0 HB3 GLU A 480 109.436 5.209 10.990 1.00 0.00 H new ATOM 0 HG2 GLU A 480 107.219 6.707 11.787 1.00 0.00 H new ATOM 0 HG3 GLU A 480 108.431 7.104 12.989 1.00 0.00 H new ATOM 687 N VAL A 481 106.651 3.651 9.808 1.00 0.00 N ATOM 688 CA VAL A 481 106.521 3.007 8.507 1.00 0.00 C ATOM 689 C VAL A 481 106.721 4.009 7.375 1.00 0.00 C ATOM 690 O VAL A 481 106.927 5.199 7.613 1.00 0.00 O ATOM 691 CB VAL A 481 105.146 2.334 8.349 1.00 0.00 C ATOM 692 CG1 VAL A 481 104.968 1.238 9.387 1.00 0.00 C ATOM 693 CG2 VAL A 481 104.031 3.364 8.451 1.00 0.00 C ATOM 0 H VAL A 481 105.843 4.209 10.086 1.00 0.00 H new ATOM 0 HA VAL A 481 107.297 2.244 8.452 1.00 0.00 H new ATOM 0 HB VAL A 481 105.096 1.878 7.360 1.00 0.00 H new ATOM 0 HG11 VAL A 481 103.990 0.773 9.261 1.00 0.00 H new ATOM 0 HG12 VAL A 481 105.747 0.486 9.260 1.00 0.00 H new ATOM 0 HG13 VAL A 481 105.039 1.668 10.386 1.00 0.00 H new ATOM 0 HG21 VAL A 481 103.067 2.869 8.337 1.00 0.00 H new ATOM 0 HG22 VAL A 481 104.075 3.853 9.424 1.00 0.00 H new ATOM 0 HG23 VAL A 481 104.151 4.110 7.665 1.00 0.00 H new ATOM 703 N LEU A 482 106.667 3.517 6.141 1.00 0.00 N ATOM 704 CA LEU A 482 106.848 4.369 4.972 1.00 0.00 C ATOM 705 C LEU A 482 105.522 4.962 4.507 1.00 0.00 C ATOM 706 O LEU A 482 105.487 6.052 3.937 1.00 0.00 O ATOM 707 CB LEU A 482 107.485 3.576 3.832 1.00 0.00 C ATOM 708 CG LEU A 482 107.237 4.144 2.434 1.00 0.00 C ATOM 709 CD1 LEU A 482 108.046 5.415 2.226 1.00 0.00 C ATOM 710 CD2 LEU A 482 107.579 3.112 1.372 1.00 0.00 C ATOM 0 H LEU A 482 106.500 2.534 5.926 1.00 0.00 H new ATOM 0 HA LEU A 482 107.509 5.188 5.257 1.00 0.00 H new ATOM 0 HB2 LEU A 482 108.560 3.524 4.002 1.00 0.00 H new ATOM 0 HB3 LEU A 482 107.108 2.554 3.865 1.00 0.00 H new ATOM 0 HG LEU A 482 106.179 4.391 2.343 1.00 0.00 H new ATOM 0 HD11 LEU A 482 107.858 5.806 1.226 1.00 0.00 H new ATOM 0 HD12 LEU A 482 107.753 6.158 2.968 1.00 0.00 H new ATOM 0 HD13 LEU A 482 109.107 5.193 2.335 1.00 0.00 H new ATOM 0 HD21 LEU A 482 107.397 3.533 0.383 1.00 0.00 H new ATOM 0 HD22 LEU A 482 108.629 2.834 1.460 1.00 0.00 H new ATOM 0 HD23 LEU A 482 106.957 2.228 1.510 1.00 0.00 H new ATOM 722 N TYR A 483 104.432 4.240 4.754 1.00 0.00 N ATOM 723 CA TYR A 483 103.105 4.705 4.357 1.00 0.00 C ATOM 724 C TYR A 483 102.095 3.563 4.349 1.00 0.00 C ATOM 725 O TYR A 483 102.391 2.465 3.883 1.00 0.00 O ATOM 726 CB TYR A 483 103.162 5.353 2.972 1.00 0.00 C ATOM 727 CG TYR A 483 101.804 5.522 2.331 1.00 0.00 C ATOM 728 CD1 TYR A 483 101.202 6.770 2.258 1.00 0.00 C ATOM 729 CD2 TYR A 483 101.125 4.433 1.800 1.00 0.00 C ATOM 730 CE1 TYR A 483 99.960 6.929 1.675 1.00 0.00 C ATOM 731 CE2 TYR A 483 99.883 4.584 1.215 1.00 0.00 C ATOM 732 CZ TYR A 483 99.304 5.834 1.154 1.00 0.00 C ATOM 733 OH TYR A 483 98.067 5.988 0.573 1.00 0.00 O ATOM 0 H TYR A 483 104.440 3.335 5.225 1.00 0.00 H new ATOM 0 HA TYR A 483 102.780 5.444 5.090 1.00 0.00 H new ATOM 0 HB2 TYR A 483 103.640 6.329 3.055 1.00 0.00 H new ATOM 0 HB3 TYR A 483 103.790 4.745 2.320 1.00 0.00 H new ATOM 0 HD1 TYR A 483 101.713 7.631 2.664 1.00 0.00 H new ATOM 0 HD2 TYR A 483 101.575 3.452 1.845 1.00 0.00 H new ATOM 0 HE1 TYR A 483 99.505 7.907 1.627 1.00 0.00 H new ATOM 0 HE2 TYR A 483 99.368 3.727 0.807 1.00 0.00 H new ATOM 0 HH TYR A 483 97.744 5.119 0.256 1.00 0.00 H new ATOM 743 N VAL A 484 100.898 3.829 4.866 1.00 0.00 N ATOM 744 CA VAL A 484 99.844 2.820 4.915 1.00 0.00 C ATOM 745 C VAL A 484 98.986 2.856 3.655 1.00 0.00 C ATOM 746 O VAL A 484 98.353 3.867 3.350 1.00 0.00 O ATOM 747 CB VAL A 484 98.934 3.018 6.141 1.00 0.00 C ATOM 748 CG1 VAL A 484 98.041 4.234 5.947 1.00 0.00 C ATOM 749 CG2 VAL A 484 98.104 1.769 6.396 1.00 0.00 C ATOM 0 H VAL A 484 100.634 4.734 5.256 1.00 0.00 H new ATOM 0 HA VAL A 484 100.340 1.852 4.988 1.00 0.00 H new ATOM 0 HB VAL A 484 99.561 3.192 7.016 1.00 0.00 H new ATOM 0 HG11 VAL A 484 97.404 4.361 6.822 1.00 0.00 H new ATOM 0 HG12 VAL A 484 98.659 5.122 5.817 1.00 0.00 H new ATOM 0 HG13 VAL A 484 97.419 4.092 5.063 1.00 0.00 H new ATOM 0 HG21 VAL A 484 97.467 1.927 7.266 1.00 0.00 H new ATOM 0 HG22 VAL A 484 97.483 1.561 5.525 1.00 0.00 H new ATOM 0 HG23 VAL A 484 98.766 0.923 6.580 1.00 0.00 H new ATOM 759 N ASP A 485 98.967 1.744 2.926 1.00 0.00 N ATOM 760 CA ASP A 485 98.188 1.646 1.697 1.00 0.00 C ATOM 761 C ASP A 485 96.889 0.883 1.923 1.00 0.00 C ATOM 762 O ASP A 485 96.727 -0.245 1.457 1.00 0.00 O ATOM 763 CB ASP A 485 99.009 0.965 0.608 1.00 0.00 C ATOM 764 CG ASP A 485 98.647 1.448 -0.782 1.00 0.00 C ATOM 765 OD1 ASP A 485 99.558 1.887 -1.514 1.00 0.00 O ATOM 766 OD2 ASP A 485 97.452 1.385 -1.140 1.00 0.00 O ATOM 0 H ASP A 485 99.483 0.897 3.166 1.00 0.00 H new ATOM 0 HA ASP A 485 97.935 2.658 1.379 1.00 0.00 H new ATOM 0 HB2 ASP A 485 100.068 1.149 0.788 1.00 0.00 H new ATOM 0 HB3 ASP A 485 98.858 -0.113 0.665 1.00 0.00 H new ATOM 771 N LEU A 486 95.967 1.511 2.636 1.00 0.00 N ATOM 772 CA LEU A 486 94.672 0.901 2.926 1.00 0.00 C ATOM 773 C LEU A 486 93.683 1.163 1.793 1.00 0.00 C ATOM 774 O LEU A 486 93.412 2.313 1.448 1.00 0.00 O ATOM 775 CB LEU A 486 94.110 1.442 4.241 1.00 0.00 C ATOM 776 CG LEU A 486 92.863 0.720 4.754 1.00 0.00 C ATOM 777 CD1 LEU A 486 93.044 0.309 6.205 1.00 0.00 C ATOM 778 CD2 LEU A 486 91.634 1.602 4.596 1.00 0.00 C ATOM 0 H LEU A 486 96.089 2.445 3.027 1.00 0.00 H new ATOM 0 HA LEU A 486 94.819 -0.175 3.018 1.00 0.00 H new ATOM 0 HB2 LEU A 486 94.887 1.381 5.003 1.00 0.00 H new ATOM 0 HB3 LEU A 486 93.873 2.498 4.111 1.00 0.00 H new ATOM 0 HG LEU A 486 92.717 -0.181 4.159 1.00 0.00 H new ATOM 0 HD11 LEU A 486 92.147 -0.203 6.553 1.00 0.00 H new ATOM 0 HD12 LEU A 486 93.900 -0.361 6.289 1.00 0.00 H new ATOM 0 HD13 LEU A 486 93.215 1.196 6.816 1.00 0.00 H new ATOM 0 HD21 LEU A 486 90.756 1.072 4.966 1.00 0.00 H new ATOM 0 HD22 LEU A 486 91.770 2.521 5.166 1.00 0.00 H new ATOM 0 HD23 LEU A 486 91.494 1.845 3.543 1.00 0.00 H new ATOM 790 N LEU A 487 93.147 0.091 1.215 1.00 0.00 N ATOM 791 CA LEU A 487 92.190 0.215 0.120 1.00 0.00 C ATOM 792 C LEU A 487 90.919 0.923 0.583 1.00 0.00 C ATOM 793 O LEU A 487 89.980 0.288 1.062 1.00 0.00 O ATOM 794 CB LEU A 487 91.846 -1.164 -0.446 1.00 0.00 C ATOM 795 CG LEU A 487 92.696 -1.605 -1.640 1.00 0.00 C ATOM 796 CD1 LEU A 487 93.723 -2.640 -1.212 1.00 0.00 C ATOM 797 CD2 LEU A 487 91.810 -2.156 -2.748 1.00 0.00 C ATOM 0 H LEU A 487 93.358 -0.869 1.486 1.00 0.00 H new ATOM 0 HA LEU A 487 92.651 0.815 -0.665 1.00 0.00 H new ATOM 0 HB2 LEU A 487 91.952 -1.903 0.348 1.00 0.00 H new ATOM 0 HB3 LEU A 487 90.798 -1.166 -0.745 1.00 0.00 H new ATOM 0 HG LEU A 487 93.228 -0.735 -2.025 1.00 0.00 H new ATOM 0 HD11 LEU A 487 94.317 -2.941 -2.075 1.00 0.00 H new ATOM 0 HD12 LEU A 487 94.377 -2.211 -0.452 1.00 0.00 H new ATOM 0 HD13 LEU A 487 93.212 -3.511 -0.801 1.00 0.00 H new ATOM 0 HD21 LEU A 487 92.430 -2.465 -3.590 1.00 0.00 H new ATOM 0 HD22 LEU A 487 91.251 -3.014 -2.374 1.00 0.00 H new ATOM 0 HD23 LEU A 487 91.113 -1.384 -3.075 1.00 0.00 H new ATOM 809 N GLU A 488 90.904 2.246 0.437 1.00 0.00 N ATOM 810 CA GLU A 488 89.756 3.054 0.838 1.00 0.00 C ATOM 811 C GLU A 488 88.444 2.303 0.629 1.00 0.00 C ATOM 812 O GLU A 488 88.149 1.844 -0.475 1.00 0.00 O ATOM 813 CB GLU A 488 89.732 4.364 0.048 1.00 0.00 C ATOM 814 CG GLU A 488 89.143 4.221 -1.346 1.00 0.00 C ATOM 815 CD GLU A 488 89.466 5.402 -2.241 1.00 0.00 C ATOM 816 OE1 GLU A 488 90.629 5.858 -2.226 1.00 0.00 O ATOM 817 OE2 GLU A 488 88.558 5.870 -2.958 1.00 0.00 O ATOM 0 H GLU A 488 91.677 2.782 0.043 1.00 0.00 H new ATOM 0 HA GLU A 488 89.858 3.271 1.901 1.00 0.00 H new ATOM 0 HB2 GLU A 488 89.155 5.103 0.603 1.00 0.00 H new ATOM 0 HB3 GLU A 488 90.749 4.749 -0.033 1.00 0.00 H new ATOM 0 HG2 GLU A 488 89.523 3.308 -1.805 1.00 0.00 H new ATOM 0 HG3 GLU A 488 88.061 4.113 -1.270 1.00 0.00 H new ATOM 824 N GLY A 489 87.659 2.188 1.695 1.00 0.00 N ATOM 825 CA GLY A 489 86.384 1.500 1.612 1.00 0.00 C ATOM 826 C GLY A 489 86.531 -0.003 1.489 1.00 0.00 C ATOM 827 O GLY A 489 85.554 -0.711 1.249 1.00 0.00 O ATOM 0 H GLY A 489 87.884 2.560 2.618 1.00 0.00 H new ATOM 0 HA2 GLY A 489 85.794 1.731 2.499 1.00 0.00 H new ATOM 0 HA3 GLY A 489 85.829 1.877 0.753 1.00 0.00 H new ATOM 831 N ASP A 490 87.754 -0.493 1.653 1.00 0.00 N ATOM 832 CA ASP A 490 88.019 -1.924 1.556 1.00 0.00 C ATOM 833 C ASP A 490 88.455 -2.494 2.902 1.00 0.00 C ATOM 834 O ASP A 490 88.802 -1.751 3.820 1.00 0.00 O ATOM 835 CB ASP A 490 89.088 -2.195 0.498 1.00 0.00 C ATOM 836 CG ASP A 490 88.878 -3.521 -0.207 1.00 0.00 C ATOM 837 OD1 ASP A 490 89.450 -3.708 -1.301 1.00 0.00 O ATOM 838 OD2 ASP A 490 88.143 -4.372 0.336 1.00 0.00 O ATOM 0 H ASP A 490 88.576 0.077 1.853 1.00 0.00 H new ATOM 0 HA ASP A 490 87.094 -2.419 1.261 1.00 0.00 H new ATOM 0 HB2 ASP A 490 89.080 -1.390 -0.237 1.00 0.00 H new ATOM 0 HB3 ASP A 490 90.071 -2.188 0.968 1.00 0.00 H new ATOM 843 N THR A 491 88.429 -3.818 3.012 1.00 0.00 N ATOM 844 CA THR A 491 88.816 -4.494 4.245 1.00 0.00 C ATOM 845 C THR A 491 90.243 -5.026 4.161 1.00 0.00 C ATOM 846 O THR A 491 90.671 -5.816 5.003 1.00 0.00 O ATOM 847 CB THR A 491 87.861 -5.660 4.567 1.00 0.00 C ATOM 848 OG1 THR A 491 87.294 -6.215 3.372 1.00 0.00 O ATOM 849 CG2 THR A 491 86.725 -5.198 5.468 1.00 0.00 C ATOM 0 H THR A 491 88.143 -4.445 2.260 1.00 0.00 H new ATOM 0 HA THR A 491 88.758 -3.754 5.043 1.00 0.00 H new ATOM 0 HB THR A 491 88.452 -6.422 5.076 1.00 0.00 H new ATOM 0 HG1 THR A 491 86.694 -6.953 3.607 1.00 0.00 H new ATOM 0 HG21 THR A 491 86.065 -6.039 5.681 1.00 0.00 H new ATOM 0 HG22 THR A 491 87.135 -4.813 6.402 1.00 0.00 H new ATOM 0 HG23 THR A 491 86.161 -4.411 4.968 1.00 0.00 H new ATOM 857 N GLU A 492 90.974 -4.588 3.141 1.00 0.00 N ATOM 858 CA GLU A 492 92.354 -5.020 2.946 1.00 0.00 C ATOM 859 C GLU A 492 93.290 -3.822 2.836 1.00 0.00 C ATOM 860 O GLU A 492 93.124 -2.968 1.964 1.00 0.00 O ATOM 861 CB GLU A 492 92.465 -5.881 1.687 1.00 0.00 C ATOM 862 CG GLU A 492 91.909 -5.211 0.440 1.00 0.00 C ATOM 863 CD GLU A 492 92.229 -5.982 -0.827 1.00 0.00 C ATOM 864 OE1 GLU A 492 93.037 -6.931 -0.756 1.00 0.00 O ATOM 865 OE2 GLU A 492 91.672 -5.633 -1.889 1.00 0.00 O ATOM 0 H GLU A 492 90.634 -3.934 2.436 1.00 0.00 H new ATOM 0 HA GLU A 492 92.649 -5.611 3.813 1.00 0.00 H new ATOM 0 HB2 GLU A 492 93.513 -6.130 1.519 1.00 0.00 H new ATOM 0 HB3 GLU A 492 91.936 -6.820 1.851 1.00 0.00 H new ATOM 0 HG2 GLU A 492 90.828 -5.111 0.537 1.00 0.00 H new ATOM 0 HG3 GLU A 492 92.317 -4.203 0.361 1.00 0.00 H new ATOM 872 N CYS A 493 94.277 -3.763 3.724 1.00 0.00 N ATOM 873 CA CYS A 493 95.239 -2.671 3.722 1.00 0.00 C ATOM 874 C CYS A 493 96.663 -3.204 3.611 1.00 0.00 C ATOM 875 O CYS A 493 96.991 -4.249 4.174 1.00 0.00 O ATOM 876 CB CYS A 493 95.091 -1.829 4.989 1.00 0.00 C ATOM 877 SG CYS A 493 96.544 -0.828 5.391 1.00 0.00 S ATOM 0 H CYS A 493 94.430 -4.459 4.453 1.00 0.00 H new ATOM 0 HA CYS A 493 95.037 -2.042 2.855 1.00 0.00 H new ATOM 0 HB2 CYS A 493 94.230 -1.170 4.875 1.00 0.00 H new ATOM 0 HB3 CYS A 493 94.877 -2.491 5.828 1.00 0.00 H new ATOM 0 HG CYS A 493 97.120 -1.306 6.454 1.00 0.00 H new ATOM 883 N HIS A 494 97.505 -2.478 2.886 1.00 0.00 N ATOM 884 CA HIS A 494 98.897 -2.872 2.702 1.00 0.00 C ATOM 885 C HIS A 494 99.827 -1.722 3.073 1.00 0.00 C ATOM 886 O HIS A 494 99.897 -0.716 2.368 1.00 0.00 O ATOM 887 CB HIS A 494 99.141 -3.307 1.257 1.00 0.00 C ATOM 888 CG HIS A 494 98.419 -4.565 0.885 1.00 0.00 C ATOM 889 ND1 HIS A 494 97.046 -4.686 0.928 1.00 0.00 N ATOM 890 CD2 HIS A 494 98.886 -5.765 0.464 1.00 0.00 C ATOM 891 CE1 HIS A 494 96.701 -5.903 0.552 1.00 0.00 C ATOM 892 NE2 HIS A 494 97.798 -6.577 0.263 1.00 0.00 N ATOM 0 H HIS A 494 97.248 -1.611 2.415 1.00 0.00 H new ATOM 0 HA HIS A 494 99.108 -3.716 3.359 1.00 0.00 H new ATOM 0 HB2 HIS A 494 98.829 -2.506 0.587 1.00 0.00 H new ATOM 0 HB3 HIS A 494 100.211 -3.452 1.105 1.00 0.00 H new ATOM 0 HD1 HIS A 494 96.398 -3.949 1.207 1.00 0.00 H new ATOM 0 HD2 HIS A 494 99.922 -6.033 0.314 1.00 0.00 H new ATOM 0 HE1 HIS A 494 95.692 -6.283 0.491 1.00 0.00 H new ATOM 901 N ALA A 495 100.525 -1.868 4.194 1.00 0.00 N ATOM 902 CA ALA A 495 101.430 -0.826 4.666 1.00 0.00 C ATOM 903 C ALA A 495 102.868 -1.060 4.214 1.00 0.00 C ATOM 904 O ALA A 495 103.412 -2.155 4.358 1.00 0.00 O ATOM 905 CB ALA A 495 101.377 -0.712 6.183 1.00 0.00 C ATOM 0 H ALA A 495 100.482 -2.694 4.791 1.00 0.00 H new ATOM 0 HA ALA A 495 101.091 0.110 4.221 1.00 0.00 H new ATOM 0 HB1 ALA A 495 102.060 0.071 6.513 1.00 0.00 H new ATOM 0 HB2 ALA A 495 100.362 -0.464 6.494 1.00 0.00 H new ATOM 0 HB3 ALA A 495 101.671 -1.662 6.630 1.00 0.00 H new ATOM 911 N ARG A 496 103.479 -0.005 3.683 1.00 0.00 N ATOM 912 CA ARG A 496 104.860 -0.057 3.221 1.00 0.00 C ATOM 913 C ARG A 496 105.797 0.384 4.345 1.00 0.00 C ATOM 914 O ARG A 496 105.533 1.377 5.029 1.00 0.00 O ATOM 915 CB ARG A 496 105.046 0.849 2.002 1.00 0.00 C ATOM 916 CG ARG A 496 103.750 1.169 1.273 1.00 0.00 C ATOM 917 CD ARG A 496 103.898 0.998 -0.231 1.00 0.00 C ATOM 918 NE ARG A 496 104.254 2.251 -0.890 1.00 0.00 N ATOM 919 CZ ARG A 496 103.382 3.221 -1.149 1.00 0.00 C ATOM 920 NH1 ARG A 496 102.110 3.084 -0.798 1.00 0.00 N ATOM 921 NH2 ARG A 496 103.783 4.331 -1.753 1.00 0.00 N ATOM 0 H ARG A 496 103.033 0.904 3.562 1.00 0.00 H new ATOM 0 HA ARG A 496 105.098 -1.081 2.935 1.00 0.00 H new ATOM 0 HB2 ARG A 496 105.512 1.781 2.321 1.00 0.00 H new ATOM 0 HB3 ARG A 496 105.735 0.370 1.306 1.00 0.00 H new ATOM 0 HG2 ARG A 496 102.956 0.517 1.638 1.00 0.00 H new ATOM 0 HG3 ARG A 496 103.450 2.193 1.496 1.00 0.00 H new ATOM 0 HD2 ARG A 496 104.663 0.249 -0.438 1.00 0.00 H new ATOM 0 HD3 ARG A 496 102.963 0.622 -0.647 1.00 0.00 H new ATOM 0 HE ARG A 496 105.226 2.390 -1.167 1.00 0.00 H new ATOM 0 HH11 ARG A 496 101.799 2.233 -0.329 1.00 0.00 H new ATOM 0 HH12 ARG A 496 101.443 3.829 -0.998 1.00 0.00 H new ATOM 0 HH21 ARG A 496 104.761 4.442 -2.020 1.00 0.00 H new ATOM 0 HH22 ARG A 496 103.113 5.074 -1.951 1.00 0.00 H new ATOM 935 N PHE A 497 106.890 -0.350 4.530 1.00 0.00 N ATOM 936 CA PHE A 497 107.862 -0.028 5.572 1.00 0.00 C ATOM 937 C PHE A 497 109.211 0.346 4.964 1.00 0.00 C ATOM 938 O PHE A 497 109.516 -0.022 3.830 1.00 0.00 O ATOM 939 CB PHE A 497 108.026 -1.210 6.529 1.00 0.00 C ATOM 940 CG PHE A 497 106.775 -1.545 7.288 1.00 0.00 C ATOM 941 CD1 PHE A 497 106.773 -1.569 8.674 1.00 0.00 C ATOM 942 CD2 PHE A 497 105.599 -1.836 6.615 1.00 0.00 C ATOM 943 CE1 PHE A 497 105.623 -1.878 9.374 1.00 0.00 C ATOM 944 CE2 PHE A 497 104.446 -2.146 7.309 1.00 0.00 C ATOM 945 CZ PHE A 497 104.457 -2.167 8.691 1.00 0.00 C ATOM 0 H PHE A 497 107.126 -1.171 3.973 1.00 0.00 H new ATOM 0 HA PHE A 497 107.488 0.831 6.130 1.00 0.00 H new ATOM 0 HB2 PHE A 497 108.342 -2.085 5.962 1.00 0.00 H new ATOM 0 HB3 PHE A 497 108.822 -0.985 7.238 1.00 0.00 H new ATOM 0 HD1 PHE A 497 107.681 -1.343 9.213 1.00 0.00 H new ATOM 0 HD2 PHE A 497 105.584 -1.820 5.535 1.00 0.00 H new ATOM 0 HE1 PHE A 497 105.635 -1.894 10.454 1.00 0.00 H new ATOM 0 HE2 PHE A 497 103.536 -2.372 6.772 1.00 0.00 H new ATOM 0 HZ PHE A 497 103.556 -2.409 9.236 1.00 0.00 H new ATOM 955 N LYS A 498 110.014 1.087 5.725 1.00 0.00 N ATOM 956 CA LYS A 498 111.327 1.517 5.257 1.00 0.00 C ATOM 957 C LYS A 498 112.366 0.413 5.424 1.00 0.00 C ATOM 958 O LYS A 498 113.416 0.438 4.783 1.00 0.00 O ATOM 959 CB LYS A 498 111.772 2.771 6.013 1.00 0.00 C ATOM 960 CG LYS A 498 113.027 3.411 5.444 1.00 0.00 C ATOM 961 CD LYS A 498 112.774 4.006 4.068 1.00 0.00 C ATOM 962 CE LYS A 498 114.023 4.670 3.510 1.00 0.00 C ATOM 963 NZ LYS A 498 113.858 5.047 2.079 1.00 0.00 N ATOM 0 H LYS A 498 109.778 1.401 6.666 1.00 0.00 H new ATOM 0 HA LYS A 498 111.244 1.746 4.195 1.00 0.00 H new ATOM 0 HB2 LYS A 498 110.963 3.501 5.997 1.00 0.00 H new ATOM 0 HB3 LYS A 498 111.948 2.512 7.057 1.00 0.00 H new ATOM 0 HG2 LYS A 498 113.378 4.191 6.120 1.00 0.00 H new ATOM 0 HG3 LYS A 498 113.820 2.666 5.379 1.00 0.00 H new ATOM 0 HD2 LYS A 498 112.442 3.222 3.387 1.00 0.00 H new ATOM 0 HD3 LYS A 498 111.968 4.737 4.129 1.00 0.00 H new ATOM 0 HE2 LYS A 498 114.254 5.560 4.096 1.00 0.00 H new ATOM 0 HE3 LYS A 498 114.871 3.993 3.612 1.00 0.00 H new ATOM 0 HZ1 LYS A 498 114.731 5.497 1.736 1.00 0.00 H new ATOM 0 HZ2 LYS A 498 113.663 4.195 1.516 1.00 0.00 H new ATOM 0 HZ3 LYS A 498 113.065 5.713 1.985 1.00 0.00 H new ATOM 977 N THR A 499 112.071 -0.557 6.285 1.00 0.00 N ATOM 978 CA THR A 499 112.989 -1.664 6.522 1.00 0.00 C ATOM 979 C THR A 499 112.251 -2.996 6.555 1.00 0.00 C ATOM 980 O THR A 499 111.069 -3.058 6.893 1.00 0.00 O ATOM 981 CB THR A 499 113.760 -1.492 7.844 1.00 0.00 C ATOM 982 OG1 THR A 499 113.086 -0.591 8.731 1.00 0.00 O ATOM 983 CG2 THR A 499 115.163 -0.959 7.590 1.00 0.00 C ATOM 0 H THR A 499 111.208 -0.598 6.827 1.00 0.00 H new ATOM 0 HA THR A 499 113.698 -1.660 5.694 1.00 0.00 H new ATOM 0 HB THR A 499 113.816 -2.478 8.306 1.00 0.00 H new ATOM 0 HG1 THR A 499 113.599 -0.504 9.561 1.00 0.00 H new ATOM 0 HG21 THR A 499 115.687 -0.846 8.539 1.00 0.00 H new ATOM 0 HG22 THR A 499 115.708 -1.658 6.955 1.00 0.00 H new ATOM 0 HG23 THR A 499 115.100 0.009 7.093 1.00 0.00 H new ATOM 991 N PRO A 500 112.949 -4.082 6.200 1.00 0.00 N ATOM 992 CA PRO A 500 112.373 -5.427 6.184 1.00 0.00 C ATOM 993 C PRO A 500 112.248 -6.020 7.583 1.00 0.00 C ATOM 994 O PRO A 500 111.269 -6.697 7.897 1.00 0.00 O ATOM 995 CB PRO A 500 113.380 -6.222 5.357 1.00 0.00 C ATOM 996 CG PRO A 500 114.682 -5.539 5.592 1.00 0.00 C ATOM 997 CD PRO A 500 114.364 -4.080 5.786 1.00 0.00 C ATOM 0 HA PRO A 500 111.360 -5.437 5.781 1.00 0.00 H new ATOM 0 HB2 PRO A 500 113.417 -7.265 5.673 1.00 0.00 H new ATOM 0 HB3 PRO A 500 113.116 -6.218 4.300 1.00 0.00 H new ATOM 0 HG2 PRO A 500 115.183 -5.948 6.469 1.00 0.00 H new ATOM 0 HG3 PRO A 500 115.354 -5.681 4.746 1.00 0.00 H new ATOM 0 HD2 PRO A 500 115.003 -3.629 6.545 1.00 0.00 H new ATOM 0 HD3 PRO A 500 114.511 -3.513 4.867 1.00 0.00 H new ATOM 1005 N GLU A 501 113.244 -5.755 8.420 1.00 0.00 N ATOM 1006 CA GLU A 501 113.246 -6.256 9.789 1.00 0.00 C ATOM 1007 C GLU A 501 112.105 -5.640 10.593 1.00 0.00 C ATOM 1008 O GLU A 501 111.533 -6.284 11.472 1.00 0.00 O ATOM 1009 CB GLU A 501 114.583 -5.951 10.465 1.00 0.00 C ATOM 1010 CG GLU A 501 115.786 -6.186 9.566 1.00 0.00 C ATOM 1011 CD GLU A 501 117.052 -6.464 10.351 1.00 0.00 C ATOM 1012 OE1 GLU A 501 117.205 -7.598 10.848 1.00 0.00 O ATOM 1013 OE2 GLU A 501 117.892 -5.547 10.468 1.00 0.00 O ATOM 0 H GLU A 501 114.061 -5.196 8.175 1.00 0.00 H new ATOM 0 HA GLU A 501 113.103 -7.336 9.755 1.00 0.00 H new ATOM 0 HB2 GLU A 501 114.585 -4.913 10.796 1.00 0.00 H new ATOM 0 HB3 GLU A 501 114.680 -6.570 11.357 1.00 0.00 H new ATOM 0 HG2 GLU A 501 115.581 -7.027 8.903 1.00 0.00 H new ATOM 0 HG3 GLU A 501 115.939 -5.312 8.934 1.00 0.00 H new ATOM 1020 N ASP A 502 111.783 -4.388 10.284 1.00 0.00 N ATOM 1021 CA ASP A 502 110.713 -3.680 10.978 1.00 0.00 C ATOM 1022 C ASP A 502 109.370 -4.367 10.757 1.00 0.00 C ATOM 1023 O ASP A 502 108.579 -4.519 11.689 1.00 0.00 O ATOM 1024 CB ASP A 502 110.638 -2.229 10.497 1.00 0.00 C ATOM 1025 CG ASP A 502 110.073 -1.297 11.552 1.00 0.00 C ATOM 1026 OD1 ASP A 502 109.841 -1.758 12.689 1.00 0.00 O ATOM 1027 OD2 ASP A 502 109.864 -0.105 11.240 1.00 0.00 O ATOM 0 H ASP A 502 112.248 -3.843 9.558 1.00 0.00 H new ATOM 0 HA ASP A 502 110.937 -3.694 12.045 1.00 0.00 H new ATOM 0 HB2 ASP A 502 111.635 -1.891 10.214 1.00 0.00 H new ATOM 0 HB3 ASP A 502 110.018 -2.178 9.602 1.00 0.00 H new ATOM 1032 N ALA A 503 109.116 -4.781 9.521 1.00 0.00 N ATOM 1033 CA ALA A 503 107.867 -5.450 9.183 1.00 0.00 C ATOM 1034 C ALA A 503 107.754 -6.791 9.900 1.00 0.00 C ATOM 1035 O ALA A 503 106.696 -7.142 10.420 1.00 0.00 O ATOM 1036 CB ALA A 503 107.747 -5.646 7.679 1.00 0.00 C ATOM 0 H ALA A 503 109.758 -4.665 8.737 1.00 0.00 H new ATOM 0 HA ALA A 503 107.048 -4.812 9.516 1.00 0.00 H new ATOM 0 HB1 ALA A 503 106.806 -6.147 7.451 1.00 0.00 H new ATOM 0 HB2 ALA A 503 107.770 -4.676 7.183 1.00 0.00 H new ATOM 0 HB3 ALA A 503 108.578 -6.255 7.324 1.00 0.00 H new ATOM 1042 N GLN A 504 108.855 -7.535 9.926 1.00 0.00 N ATOM 1043 CA GLN A 504 108.880 -8.836 10.582 1.00 0.00 C ATOM 1044 C GLN A 504 108.609 -8.701 12.079 1.00 0.00 C ATOM 1045 O GLN A 504 107.931 -9.538 12.676 1.00 0.00 O ATOM 1046 CB GLN A 504 110.227 -9.523 10.354 1.00 0.00 C ATOM 1047 CG GLN A 504 110.163 -11.037 10.458 1.00 0.00 C ATOM 1048 CD GLN A 504 110.388 -11.723 9.124 1.00 0.00 C ATOM 1049 OE1 GLN A 504 111.466 -11.626 8.538 1.00 0.00 O ATOM 1050 NE2 GLN A 504 109.371 -12.424 8.638 1.00 0.00 N ATOM 0 H GLN A 504 109.740 -7.259 9.501 1.00 0.00 H new ATOM 0 HA GLN A 504 108.091 -9.447 10.144 1.00 0.00 H new ATOM 0 HB2 GLN A 504 110.602 -9.251 9.367 1.00 0.00 H new ATOM 0 HB3 GLN A 504 110.945 -9.147 11.083 1.00 0.00 H new ATOM 0 HG2 GLN A 504 110.913 -11.381 11.170 1.00 0.00 H new ATOM 0 HG3 GLN A 504 109.190 -11.330 10.853 1.00 0.00 H new ATOM 0 HE21 GLN A 504 108.495 -12.478 9.157 1.00 0.00 H new ATOM 0 HE22 GLN A 504 109.466 -12.909 7.746 1.00 0.00 H new ATOM 1059 N ALA A 505 109.153 -7.651 12.685 1.00 0.00 N ATOM 1060 CA ALA A 505 108.971 -7.421 14.114 1.00 0.00 C ATOM 1061 C ALA A 505 107.518 -7.095 14.452 1.00 0.00 C ATOM 1062 O ALA A 505 106.984 -7.572 15.454 1.00 0.00 O ATOM 1063 CB ALA A 505 109.885 -6.308 14.605 1.00 0.00 C ATOM 0 H ALA A 505 109.721 -6.948 12.212 1.00 0.00 H new ATOM 0 HA ALA A 505 109.237 -8.346 14.626 1.00 0.00 H new ATOM 0 HB1 ALA A 505 109.731 -6.155 15.673 1.00 0.00 H new ATOM 0 HB2 ALA A 505 110.924 -6.584 14.424 1.00 0.00 H new ATOM 0 HB3 ALA A 505 109.656 -5.386 14.070 1.00 0.00 H new ATOM 1069 N VAL A 506 106.882 -6.272 13.620 1.00 0.00 N ATOM 1070 CA VAL A 506 105.495 -5.880 13.848 1.00 0.00 C ATOM 1071 C VAL A 506 104.538 -7.049 13.645 1.00 0.00 C ATOM 1072 O VAL A 506 103.618 -7.253 14.436 1.00 0.00 O ATOM 1073 CB VAL A 506 105.080 -4.728 12.916 1.00 0.00 C ATOM 1074 CG1 VAL A 506 105.371 -5.083 11.467 1.00 0.00 C ATOM 1075 CG2 VAL A 506 103.610 -4.388 13.104 1.00 0.00 C ATOM 0 H VAL A 506 107.304 -5.866 12.785 1.00 0.00 H new ATOM 0 HA VAL A 506 105.434 -5.548 14.884 1.00 0.00 H new ATOM 0 HB VAL A 506 105.667 -3.847 13.176 1.00 0.00 H new ATOM 0 HG11 VAL A 506 105.071 -4.257 10.823 1.00 0.00 H new ATOM 0 HG12 VAL A 506 106.438 -5.269 11.345 1.00 0.00 H new ATOM 0 HG13 VAL A 506 104.813 -5.978 11.193 1.00 0.00 H new ATOM 0 HG21 VAL A 506 103.337 -3.571 12.436 1.00 0.00 H new ATOM 0 HG22 VAL A 506 103.002 -5.263 12.875 1.00 0.00 H new ATOM 0 HG23 VAL A 506 103.436 -4.086 14.137 1.00 0.00 H new ATOM 1085 N ILE A 507 104.757 -7.814 12.581 1.00 0.00 N ATOM 1086 CA ILE A 507 103.907 -8.959 12.284 1.00 0.00 C ATOM 1087 C ILE A 507 104.055 -10.038 13.350 1.00 0.00 C ATOM 1088 O ILE A 507 103.093 -10.725 13.692 1.00 0.00 O ATOM 1089 CB ILE A 507 104.224 -9.567 10.904 1.00 0.00 C ATOM 1090 CG1 ILE A 507 105.734 -9.710 10.712 1.00 0.00 C ATOM 1091 CG2 ILE A 507 103.625 -8.710 9.798 1.00 0.00 C ATOM 1092 CD1 ILE A 507 106.197 -11.147 10.623 1.00 0.00 C ATOM 0 H ILE A 507 105.513 -7.662 11.913 1.00 0.00 H new ATOM 0 HA ILE A 507 102.881 -8.592 12.275 1.00 0.00 H new ATOM 0 HB ILE A 507 103.778 -10.560 10.854 1.00 0.00 H new ATOM 0 HG12 ILE A 507 106.028 -9.185 9.803 1.00 0.00 H new ATOM 0 HG13 ILE A 507 106.246 -9.222 11.542 1.00 0.00 H new ATOM 0 HG21 ILE A 507 103.857 -9.152 8.829 1.00 0.00 H new ATOM 0 HG22 ILE A 507 102.543 -8.658 9.923 1.00 0.00 H new ATOM 0 HG23 ILE A 507 104.045 -7.705 9.848 1.00 0.00 H new ATOM 0 HD11 ILE A 507 107.278 -11.173 10.487 1.00 0.00 H new ATOM 0 HD12 ILE A 507 105.934 -11.672 11.542 1.00 0.00 H new ATOM 0 HD13 ILE A 507 105.713 -11.633 9.776 1.00 0.00 H new ATOM 1104 N ASN A 508 105.265 -10.164 13.884 1.00 0.00 N ATOM 1105 CA ASN A 508 105.535 -11.144 14.928 1.00 0.00 C ATOM 1106 C ASN A 508 104.852 -10.733 16.226 1.00 0.00 C ATOM 1107 O ASN A 508 104.292 -11.565 16.942 1.00 0.00 O ATOM 1108 CB ASN A 508 107.043 -11.282 15.153 1.00 0.00 C ATOM 1109 CG ASN A 508 107.722 -12.070 14.051 1.00 0.00 C ATOM 1110 OD1 ASN A 508 107.100 -12.906 13.395 1.00 0.00 O ATOM 1111 ND2 ASN A 508 109.007 -11.807 13.842 1.00 0.00 N ATOM 0 H ASN A 508 106.071 -9.602 13.612 1.00 0.00 H new ATOM 0 HA ASN A 508 105.138 -12.107 14.608 1.00 0.00 H new ATOM 0 HB2 ASN A 508 107.491 -10.290 15.215 1.00 0.00 H new ATOM 0 HB3 ASN A 508 107.221 -11.773 16.110 1.00 0.00 H new ATOM 0 HD21 ASN A 508 109.518 -12.306 13.114 1.00 0.00 H new ATOM 0 HD22 ASN A 508 109.483 -11.106 14.410 1.00 0.00 H new ATOM 1118 N ALA A 509 104.903 -9.438 16.516 1.00 0.00 N ATOM 1119 CA ALA A 509 104.293 -8.888 17.722 1.00 0.00 C ATOM 1120 C ALA A 509 102.779 -8.777 17.584 1.00 0.00 C ATOM 1121 O ALA A 509 102.057 -8.719 18.580 1.00 0.00 O ATOM 1122 CB ALA A 509 104.884 -7.526 18.053 1.00 0.00 C ATOM 0 H ALA A 509 105.364 -8.744 15.928 1.00 0.00 H new ATOM 0 HA ALA A 509 104.511 -9.577 18.538 1.00 0.00 H new ATOM 0 HB1 ALA A 509 104.414 -7.135 18.956 1.00 0.00 H new ATOM 0 HB2 ALA A 509 105.957 -7.625 18.216 1.00 0.00 H new ATOM 0 HB3 ALA A 509 104.705 -6.840 17.225 1.00 0.00 H new ATOM 1128 N TYR A 510 102.310 -8.717 16.345 1.00 0.00 N ATOM 1129 CA TYR A 510 100.885 -8.577 16.070 1.00 0.00 C ATOM 1130 C TYR A 510 100.066 -9.740 16.614 1.00 0.00 C ATOM 1131 O TYR A 510 98.838 -9.665 16.662 1.00 0.00 O ATOM 1132 CB TYR A 510 100.647 -8.445 14.572 1.00 0.00 C ATOM 1133 CG TYR A 510 100.143 -7.080 14.171 1.00 0.00 C ATOM 1134 CD1 TYR A 510 99.204 -6.930 13.159 1.00 0.00 C ATOM 1135 CD2 TYR A 510 100.609 -5.941 14.812 1.00 0.00 C ATOM 1136 CE1 TYR A 510 98.744 -5.679 12.796 1.00 0.00 C ATOM 1137 CE2 TYR A 510 100.152 -4.686 14.454 1.00 0.00 C ATOM 1138 CZ TYR A 510 99.220 -4.561 13.446 1.00 0.00 C ATOM 1139 OH TYR A 510 98.764 -3.314 13.086 1.00 0.00 O ATOM 0 H TYR A 510 102.897 -8.763 15.512 1.00 0.00 H new ATOM 0 HA TYR A 510 100.554 -7.673 16.582 1.00 0.00 H new ATOM 0 HB2 TYR A 510 101.577 -8.652 14.043 1.00 0.00 H new ATOM 0 HB3 TYR A 510 99.926 -9.199 14.257 1.00 0.00 H new ATOM 0 HD1 TYR A 510 98.828 -7.804 12.648 1.00 0.00 H new ATOM 0 HD2 TYR A 510 101.339 -6.036 15.602 1.00 0.00 H new ATOM 0 HE1 TYR A 510 98.014 -5.578 12.006 1.00 0.00 H new ATOM 0 HE2 TYR A 510 100.523 -3.808 14.962 1.00 0.00 H new ATOM 0 HH TYR A 510 97.929 -3.404 12.581 1.00 0.00 H new ATOM 1149 N THR A 511 100.728 -10.806 17.038 1.00 0.00 N ATOM 1150 CA THR A 511 100.011 -11.947 17.583 1.00 0.00 C ATOM 1151 C THR A 511 99.031 -11.475 18.649 1.00 0.00 C ATOM 1152 O THR A 511 97.932 -12.011 18.788 1.00 0.00 O ATOM 1153 CB THR A 511 100.971 -12.984 18.199 1.00 0.00 C ATOM 1154 OG1 THR A 511 100.304 -13.800 19.172 1.00 0.00 O ATOM 1155 CG2 THR A 511 102.151 -12.299 18.870 1.00 0.00 C ATOM 0 H THR A 511 101.743 -10.904 17.016 1.00 0.00 H new ATOM 0 HA THR A 511 99.476 -12.425 16.762 1.00 0.00 H new ATOM 0 HB THR A 511 101.325 -13.613 17.382 1.00 0.00 H new ATOM 0 HG1 THR A 511 100.937 -14.449 19.544 1.00 0.00 H new ATOM 0 HG21 THR A 511 102.814 -13.052 19.297 1.00 0.00 H new ATOM 0 HG22 THR A 511 102.697 -11.710 18.133 1.00 0.00 H new ATOM 0 HG23 THR A 511 101.789 -11.643 19.662 1.00 0.00 H new ATOM 1163 N GLU A 512 99.460 -10.473 19.408 1.00 0.00 N ATOM 1164 CA GLU A 512 98.650 -9.915 20.486 1.00 0.00 C ATOM 1165 C GLU A 512 97.360 -9.291 19.959 1.00 0.00 C ATOM 1166 O GLU A 512 96.417 -9.067 20.718 1.00 0.00 O ATOM 1167 CB GLU A 512 99.453 -8.869 21.262 1.00 0.00 C ATOM 1168 CG GLU A 512 100.145 -9.428 22.494 1.00 0.00 C ATOM 1169 CD GLU A 512 101.057 -10.596 22.169 1.00 0.00 C ATOM 1170 OE1 GLU A 512 102.292 -10.422 22.233 1.00 0.00 O ATOM 1171 OE2 GLU A 512 100.535 -11.686 21.851 1.00 0.00 O ATOM 0 H GLU A 512 100.371 -10.027 19.296 1.00 0.00 H new ATOM 0 HA GLU A 512 98.379 -10.734 21.152 1.00 0.00 H new ATOM 0 HB2 GLU A 512 100.202 -8.433 20.601 1.00 0.00 H new ATOM 0 HB3 GLU A 512 98.786 -8.061 21.564 1.00 0.00 H new ATOM 0 HG2 GLU A 512 100.727 -8.638 22.969 1.00 0.00 H new ATOM 0 HG3 GLU A 512 99.393 -9.748 23.215 1.00 0.00 H new ATOM 1178 N ILE A 513 97.321 -9.008 18.662 1.00 0.00 N ATOM 1179 CA ILE A 513 96.139 -8.408 18.054 1.00 0.00 C ATOM 1180 C ILE A 513 94.905 -9.277 18.275 1.00 0.00 C ATOM 1181 O ILE A 513 93.836 -8.774 18.621 1.00 0.00 O ATOM 1182 CB ILE A 513 96.333 -8.180 16.541 1.00 0.00 C ATOM 1183 CG1 ILE A 513 97.450 -7.161 16.284 1.00 0.00 C ATOM 1184 CG2 ILE A 513 95.030 -7.714 15.904 1.00 0.00 C ATOM 1185 CD1 ILE A 513 97.620 -6.143 17.393 1.00 0.00 C ATOM 0 H ILE A 513 98.089 -9.183 18.014 1.00 0.00 H new ATOM 0 HA ILE A 513 95.992 -7.443 18.539 1.00 0.00 H new ATOM 0 HB ILE A 513 96.624 -9.127 16.086 1.00 0.00 H new ATOM 0 HG12 ILE A 513 98.391 -7.695 16.147 1.00 0.00 H new ATOM 0 HG13 ILE A 513 97.242 -6.636 15.351 1.00 0.00 H new ATOM 0 HG21 ILE A 513 95.183 -7.557 14.836 1.00 0.00 H new ATOM 0 HG22 ILE A 513 94.261 -8.472 16.053 1.00 0.00 H new ATOM 0 HG23 ILE A 513 94.713 -6.779 16.366 1.00 0.00 H new ATOM 0 HD11 ILE A 513 98.428 -5.458 17.137 1.00 0.00 H new ATOM 0 HD12 ILE A 513 96.694 -5.581 17.517 1.00 0.00 H new ATOM 0 HD13 ILE A 513 97.860 -6.656 18.324 1.00 0.00 H new ATOM 1197 N ASN A 514 95.057 -10.581 18.072 1.00 0.00 N ATOM 1198 CA ASN A 514 93.952 -11.518 18.246 1.00 0.00 C ATOM 1199 C ASN A 514 93.268 -11.324 19.596 1.00 0.00 C ATOM 1200 O ASN A 514 92.072 -11.575 19.736 1.00 0.00 O ATOM 1201 CB ASN A 514 94.456 -12.957 18.123 1.00 0.00 C ATOM 1202 CG ASN A 514 93.413 -13.974 18.539 1.00 0.00 C ATOM 1203 OD1 ASN A 514 93.657 -14.811 19.408 1.00 0.00 O ATOM 1204 ND2 ASN A 514 92.241 -13.908 17.919 1.00 0.00 N ATOM 0 H ASN A 514 95.935 -11.014 17.787 1.00 0.00 H new ATOM 0 HA ASN A 514 93.221 -11.322 17.462 1.00 0.00 H new ATOM 0 HB2 ASN A 514 94.754 -13.147 17.092 1.00 0.00 H new ATOM 0 HB3 ASN A 514 95.346 -13.081 18.740 1.00 0.00 H new ATOM 0 HD21 ASN A 514 91.500 -14.567 18.157 1.00 0.00 H new ATOM 0 HD22 ASN A 514 92.081 -13.198 17.204 1.00 0.00 H new ATOM 1211 N LYS A 515 94.032 -10.880 20.588 1.00 0.00 N ATOM 1212 CA LYS A 515 93.491 -10.659 21.924 1.00 0.00 C ATOM 1213 C LYS A 515 92.162 -9.915 21.851 1.00 0.00 C ATOM 1214 O LYS A 515 91.320 -10.036 22.742 1.00 0.00 O ATOM 1215 CB LYS A 515 94.483 -9.870 22.778 1.00 0.00 C ATOM 1216 CG LYS A 515 95.729 -10.658 23.150 1.00 0.00 C ATOM 1217 CD LYS A 515 96.209 -10.313 24.551 1.00 0.00 C ATOM 1218 CE LYS A 515 96.533 -11.563 25.352 1.00 0.00 C ATOM 1219 NZ LYS A 515 96.585 -11.288 26.815 1.00 0.00 N ATOM 0 H LYS A 515 95.025 -10.667 20.493 1.00 0.00 H new ATOM 0 HA LYS A 515 93.322 -11.631 22.386 1.00 0.00 H new ATOM 0 HB2 LYS A 515 94.780 -8.971 22.238 1.00 0.00 H new ATOM 0 HB3 LYS A 515 93.984 -9.543 23.690 1.00 0.00 H new ATOM 0 HG2 LYS A 515 95.517 -11.726 23.089 1.00 0.00 H new ATOM 0 HG3 LYS A 515 96.521 -10.449 22.431 1.00 0.00 H new ATOM 0 HD2 LYS A 515 97.094 -9.680 24.488 1.00 0.00 H new ATOM 0 HD3 LYS A 515 95.442 -9.737 25.068 1.00 0.00 H new ATOM 0 HE2 LYS A 515 95.781 -12.327 25.153 1.00 0.00 H new ATOM 0 HE3 LYS A 515 97.491 -11.966 25.024 1.00 0.00 H new ATOM 0 HZ1 LYS A 515 96.809 -12.166 27.326 1.00 0.00 H new ATOM 0 HZ2 LYS A 515 97.320 -10.578 27.009 1.00 0.00 H new ATOM 0 HZ3 LYS A 515 95.663 -10.928 27.133 1.00 0.00 H new ATOM 1233 N LYS A 516 91.981 -9.148 20.783 1.00 0.00 N ATOM 1234 CA LYS A 516 90.756 -8.382 20.585 1.00 0.00 C ATOM 1235 C LYS A 516 90.081 -8.774 19.277 1.00 0.00 C ATOM 1236 O LYS A 516 88.881 -9.051 19.241 1.00 0.00 O ATOM 1237 CB LYS A 516 91.064 -6.885 20.584 1.00 0.00 C ATOM 1238 CG LYS A 516 89.878 -6.022 20.977 1.00 0.00 C ATOM 1239 CD LYS A 516 90.052 -5.444 22.369 1.00 0.00 C ATOM 1240 CE LYS A 516 91.382 -4.722 22.500 1.00 0.00 C ATOM 1241 NZ LYS A 516 91.386 -3.766 23.641 1.00 0.00 N ATOM 0 H LYS A 516 92.669 -9.040 20.038 1.00 0.00 H new ATOM 0 HA LYS A 516 90.076 -8.606 21.407 1.00 0.00 H new ATOM 0 HB2 LYS A 516 91.888 -6.691 21.271 1.00 0.00 H new ATOM 0 HB3 LYS A 516 91.402 -6.592 19.590 1.00 0.00 H new ATOM 0 HG2 LYS A 516 89.761 -5.212 20.257 1.00 0.00 H new ATOM 0 HG3 LYS A 516 88.965 -6.616 20.940 1.00 0.00 H new ATOM 0 HD2 LYS A 516 89.237 -4.753 22.583 1.00 0.00 H new ATOM 0 HD3 LYS A 516 89.995 -6.243 23.108 1.00 0.00 H new ATOM 0 HE2 LYS A 516 92.179 -5.452 22.636 1.00 0.00 H new ATOM 0 HE3 LYS A 516 91.596 -4.185 21.576 1.00 0.00 H new ATOM 0 HZ1 LYS A 516 92.311 -3.294 23.695 1.00 0.00 H new ATOM 0 HZ2 LYS A 516 90.642 -3.053 23.499 1.00 0.00 H new ATOM 0 HZ3 LYS A 516 91.208 -4.282 24.526 1.00 0.00 H new ATOM 1255 N HIS A 517 90.864 -8.802 18.206 1.00 0.00 N ATOM 1256 CA HIS A 517 90.353 -9.168 16.891 1.00 0.00 C ATOM 1257 C HIS A 517 91.408 -9.934 16.101 1.00 0.00 C ATOM 1258 O HIS A 517 92.563 -9.517 16.027 1.00 0.00 O ATOM 1259 CB HIS A 517 89.925 -7.920 16.115 1.00 0.00 C ATOM 1260 CG HIS A 517 89.686 -6.725 16.983 1.00 0.00 C ATOM 1261 ND1 HIS A 517 88.471 -6.457 17.578 1.00 0.00 N ATOM 1262 CD2 HIS A 517 90.513 -5.718 17.353 1.00 0.00 C ATOM 1263 CE1 HIS A 517 88.561 -5.338 18.274 1.00 0.00 C ATOM 1264 NE2 HIS A 517 89.789 -4.871 18.151 1.00 0.00 N ATOM 0 H HIS A 517 91.858 -8.575 18.222 1.00 0.00 H new ATOM 0 HA HIS A 517 89.484 -9.811 17.031 1.00 0.00 H new ATOM 0 HB2 HIS A 517 90.694 -7.677 15.382 1.00 0.00 H new ATOM 0 HB3 HIS A 517 89.014 -8.143 15.560 1.00 0.00 H new ATOM 0 HD2 HIS A 517 91.549 -5.604 17.072 1.00 0.00 H new ATOM 0 HE1 HIS A 517 87.766 -4.883 18.846 1.00 0.00 H new ATOM 0 HE2 HIS A 517 90.143 -4.016 18.581 1.00 0.00 H new ATOM 1273 N CYS A 518 91.008 -11.055 15.512 1.00 0.00 N ATOM 1274 CA CYS A 518 91.929 -11.872 14.730 1.00 0.00 C ATOM 1275 C CYS A 518 92.381 -11.127 13.478 1.00 0.00 C ATOM 1276 O CYS A 518 91.571 -10.802 12.611 1.00 0.00 O ATOM 1277 CB CYS A 518 91.265 -13.194 14.342 1.00 0.00 C ATOM 1278 SG CYS A 518 90.258 -13.924 15.653 1.00 0.00 S ATOM 0 H CYS A 518 90.056 -11.418 15.560 1.00 0.00 H new ATOM 0 HA CYS A 518 92.805 -12.082 15.343 1.00 0.00 H new ATOM 0 HB2 CYS A 518 90.638 -13.030 13.465 1.00 0.00 H new ATOM 0 HB3 CYS A 518 92.038 -13.906 14.053 1.00 0.00 H new ATOM 0 HG CYS A 518 89.737 -15.038 15.231 1.00 0.00 H new ATOM 1284 N TRP A 519 93.680 -10.851 13.393 1.00 0.00 N ATOM 1285 CA TRP A 519 94.233 -10.136 12.248 1.00 0.00 C ATOM 1286 C TRP A 519 95.267 -10.972 11.511 1.00 0.00 C ATOM 1287 O TRP A 519 95.974 -11.786 12.105 1.00 0.00 O ATOM 1288 CB TRP A 519 94.857 -8.818 12.693 1.00 0.00 C ATOM 1289 CG TRP A 519 94.515 -7.679 11.787 1.00 0.00 C ATOM 1290 CD1 TRP A 519 93.768 -7.739 10.648 1.00 0.00 C ATOM 1291 CD2 TRP A 519 94.903 -6.312 11.944 1.00 0.00 C ATOM 1292 NE1 TRP A 519 93.665 -6.496 10.086 1.00 0.00 N ATOM 1293 CE2 TRP A 519 94.355 -5.597 10.863 1.00 0.00 C ATOM 1294 CE3 TRP A 519 95.661 -5.623 12.895 1.00 0.00 C ATOM 1295 CZ2 TRP A 519 94.542 -4.224 10.709 1.00 0.00 C ATOM 1296 CZ3 TRP A 519 95.847 -4.263 12.740 1.00 0.00 C ATOM 1297 CH2 TRP A 519 95.288 -3.576 11.656 1.00 0.00 C ATOM 0 H TRP A 519 94.367 -11.111 14.101 1.00 0.00 H new ATOM 0 HA TRP A 519 93.410 -9.933 11.562 1.00 0.00 H new ATOM 0 HB2 TRP A 519 94.521 -8.586 13.704 1.00 0.00 H new ATOM 0 HB3 TRP A 519 95.940 -8.930 12.735 1.00 0.00 H new ATOM 0 HD1 TRP A 519 93.322 -8.638 10.248 1.00 0.00 H new ATOM 0 HE1 TRP A 519 93.158 -6.273 9.229 1.00 0.00 H new ATOM 0 HE3 TRP A 519 96.094 -6.145 13.736 1.00 0.00 H new ATOM 0 HZ2 TRP A 519 94.114 -3.691 9.873 1.00 0.00 H new ATOM 0 HZ3 TRP A 519 96.433 -3.721 13.467 1.00 0.00 H new ATOM 0 HH2 TRP A 519 95.449 -2.512 11.565 1.00 0.00 H new ATOM 1308 N LYS A 520 95.340 -10.754 10.206 1.00 0.00 N ATOM 1309 CA LYS A 520 96.273 -11.470 9.354 1.00 0.00 C ATOM 1310 C LYS A 520 97.386 -10.547 8.870 1.00 0.00 C ATOM 1311 O LYS A 520 97.125 -9.437 8.402 1.00 0.00 O ATOM 1312 CB LYS A 520 95.525 -12.045 8.159 1.00 0.00 C ATOM 1313 CG LYS A 520 94.122 -12.523 8.499 1.00 0.00 C ATOM 1314 CD LYS A 520 94.143 -13.589 9.582 1.00 0.00 C ATOM 1315 CE LYS A 520 93.254 -13.210 10.755 1.00 0.00 C ATOM 1316 NZ LYS A 520 92.098 -14.137 10.897 1.00 0.00 N ATOM 0 H LYS A 520 94.757 -10.079 9.712 1.00 0.00 H new ATOM 0 HA LYS A 520 96.725 -12.277 9.931 1.00 0.00 H new ATOM 0 HB2 LYS A 520 95.463 -11.286 7.379 1.00 0.00 H new ATOM 0 HB3 LYS A 520 96.096 -12.878 7.749 1.00 0.00 H new ATOM 0 HG2 LYS A 520 93.519 -11.678 8.831 1.00 0.00 H new ATOM 0 HG3 LYS A 520 93.646 -12.922 7.604 1.00 0.00 H new ATOM 0 HD2 LYS A 520 93.811 -14.540 9.165 1.00 0.00 H new ATOM 0 HD3 LYS A 520 95.165 -13.734 9.931 1.00 0.00 H new ATOM 0 HE2 LYS A 520 93.841 -13.219 11.673 1.00 0.00 H new ATOM 0 HE3 LYS A 520 92.889 -12.192 10.620 1.00 0.00 H new ATOM 0 HZ1 LYS A 520 91.428 -13.753 11.594 1.00 0.00 H new ATOM 0 HZ2 LYS A 520 91.621 -14.240 9.979 1.00 0.00 H new ATOM 0 HZ3 LYS A 520 92.436 -15.067 11.218 1.00 0.00 H new ATOM 1330 N LEU A 521 98.626 -11.012 8.980 1.00 0.00 N ATOM 1331 CA LEU A 521 99.775 -10.226 8.548 1.00 0.00 C ATOM 1332 C LEU A 521 100.744 -11.079 7.736 1.00 0.00 C ATOM 1333 O LEU A 521 101.234 -12.102 8.211 1.00 0.00 O ATOM 1334 CB LEU A 521 100.499 -9.631 9.755 1.00 0.00 C ATOM 1335 CG LEU A 521 99.592 -8.964 10.788 1.00 0.00 C ATOM 1336 CD1 LEU A 521 98.671 -7.958 10.116 1.00 0.00 C ATOM 1337 CD2 LEU A 521 98.784 -10.010 11.541 1.00 0.00 C ATOM 0 H LEU A 521 98.860 -11.927 9.364 1.00 0.00 H new ATOM 0 HA LEU A 521 99.409 -9.417 7.916 1.00 0.00 H new ATOM 0 HB2 LEU A 521 101.064 -10.423 10.247 1.00 0.00 H new ATOM 0 HB3 LEU A 521 101.222 -8.896 9.400 1.00 0.00 H new ATOM 0 HG LEU A 521 100.217 -8.432 11.505 1.00 0.00 H new ATOM 0 HD11 LEU A 521 98.032 -7.492 10.866 1.00 0.00 H new ATOM 0 HD12 LEU A 521 99.268 -7.192 9.622 1.00 0.00 H new ATOM 0 HD13 LEU A 521 98.052 -8.468 9.378 1.00 0.00 H new ATOM 0 HD21 LEU A 521 98.143 -9.518 12.273 1.00 0.00 H new ATOM 0 HD22 LEU A 521 98.168 -10.570 10.837 1.00 0.00 H new ATOM 0 HD23 LEU A 521 99.461 -10.693 12.053 1.00 0.00 H new ATOM 1349 N GLU A 522 101.020 -10.645 6.512 1.00 0.00 N ATOM 1350 CA GLU A 522 101.933 -11.364 5.634 1.00 0.00 C ATOM 1351 C GLU A 522 102.817 -10.393 4.859 1.00 0.00 C ATOM 1352 O GLU A 522 102.341 -9.381 4.346 1.00 0.00 O ATOM 1353 CB GLU A 522 101.153 -12.248 4.661 1.00 0.00 C ATOM 1354 CG GLU A 522 102.031 -13.212 3.880 1.00 0.00 C ATOM 1355 CD GLU A 522 102.493 -12.635 2.557 1.00 0.00 C ATOM 1356 OE1 GLU A 522 103.460 -13.176 1.980 1.00 0.00 O ATOM 1357 OE2 GLU A 522 101.888 -11.644 2.098 1.00 0.00 O ATOM 0 H GLU A 522 100.624 -9.798 6.105 1.00 0.00 H new ATOM 0 HA GLU A 522 102.570 -11.995 6.254 1.00 0.00 H new ATOM 0 HB2 GLU A 522 100.408 -12.817 5.217 1.00 0.00 H new ATOM 0 HB3 GLU A 522 100.611 -11.613 3.960 1.00 0.00 H new ATOM 0 HG2 GLU A 522 102.901 -13.475 4.482 1.00 0.00 H new ATOM 0 HG3 GLU A 522 101.479 -14.134 3.698 1.00 0.00 H new ATOM 1364 N ILE A 523 104.104 -10.710 4.780 1.00 0.00 N ATOM 1365 CA ILE A 523 105.055 -9.868 4.069 1.00 0.00 C ATOM 1366 C ILE A 523 105.265 -10.366 2.643 1.00 0.00 C ATOM 1367 O ILE A 523 105.709 -11.495 2.430 1.00 0.00 O ATOM 1368 CB ILE A 523 106.414 -9.823 4.794 1.00 0.00 C ATOM 1369 CG1 ILE A 523 106.282 -9.080 6.124 1.00 0.00 C ATOM 1370 CG2 ILE A 523 107.464 -9.163 3.913 1.00 0.00 C ATOM 1371 CD1 ILE A 523 107.241 -9.573 7.187 1.00 0.00 C ATOM 0 H ILE A 523 104.512 -11.545 5.200 1.00 0.00 H new ATOM 0 HA ILE A 523 104.635 -8.863 4.042 1.00 0.00 H new ATOM 0 HB ILE A 523 106.733 -10.845 5.000 1.00 0.00 H new ATOM 0 HG12 ILE A 523 106.453 -8.017 5.956 1.00 0.00 H new ATOM 0 HG13 ILE A 523 105.261 -9.185 6.490 1.00 0.00 H new ATOM 0 HG21 ILE A 523 108.418 -9.139 4.440 1.00 0.00 H new ATOM 0 HG22 ILE A 523 107.574 -9.731 2.989 1.00 0.00 H new ATOM 0 HG23 ILE A 523 107.154 -8.145 3.678 1.00 0.00 H new ATOM 0 HD11 ILE A 523 107.093 -9.002 8.104 1.00 0.00 H new ATOM 0 HD12 ILE A 523 107.055 -10.629 7.383 1.00 0.00 H new ATOM 0 HD13 ILE A 523 108.266 -9.443 6.841 1.00 0.00 H new ATOM 1383 N LEU A 524 104.946 -9.519 1.669 1.00 0.00 N ATOM 1384 CA LEU A 524 105.103 -9.882 0.265 1.00 0.00 C ATOM 1385 C LEU A 524 106.572 -10.131 -0.066 1.00 0.00 C ATOM 1386 O LEU A 524 107.457 -9.460 0.465 1.00 0.00 O ATOM 1387 CB LEU A 524 104.538 -8.786 -0.637 1.00 0.00 C ATOM 1388 CG LEU A 524 103.028 -8.859 -0.878 1.00 0.00 C ATOM 1389 CD1 LEU A 524 102.672 -10.116 -1.660 1.00 0.00 C ATOM 1390 CD2 LEU A 524 102.274 -8.820 0.442 1.00 0.00 C ATOM 0 H LEU A 524 104.579 -8.580 1.825 1.00 0.00 H new ATOM 0 HA LEU A 524 104.547 -10.803 0.087 1.00 0.00 H new ATOM 0 HB2 LEU A 524 104.774 -7.817 -0.197 1.00 0.00 H new ATOM 0 HB3 LEU A 524 105.047 -8.831 -1.600 1.00 0.00 H new ATOM 0 HG LEU A 524 102.732 -7.992 -1.468 1.00 0.00 H new ATOM 0 HD11 LEU A 524 101.595 -10.151 -1.822 1.00 0.00 H new ATOM 0 HD12 LEU A 524 103.183 -10.103 -2.623 1.00 0.00 H new ATOM 0 HD13 LEU A 524 102.983 -10.996 -1.096 1.00 0.00 H new ATOM 0 HD21 LEU A 524 101.202 -8.873 0.251 1.00 0.00 H new ATOM 0 HD22 LEU A 524 102.575 -9.667 1.058 1.00 0.00 H new ATOM 0 HD23 LEU A 524 102.504 -7.892 0.965 1.00 0.00 H new ATOM 1402 N SER A 525 106.826 -11.110 -0.928 1.00 0.00 N ATOM 1403 CA SER A 525 108.193 -11.456 -1.305 1.00 0.00 C ATOM 1404 C SER A 525 108.273 -11.953 -2.745 1.00 0.00 C ATOM 1405 O SER A 525 107.270 -12.350 -3.338 1.00 0.00 O ATOM 1406 CB SER A 525 108.752 -12.515 -0.352 1.00 0.00 C ATOM 1407 OG SER A 525 108.309 -13.812 -0.712 1.00 0.00 O ATOM 0 H SER A 525 106.107 -11.676 -1.378 1.00 0.00 H new ATOM 0 HA SER A 525 108.795 -10.550 -1.232 1.00 0.00 H new ATOM 0 HB2 SER A 525 109.841 -12.483 -0.367 1.00 0.00 H new ATOM 0 HB3 SER A 525 108.440 -12.291 0.668 1.00 0.00 H new ATOM 0 HG SER A 525 108.682 -14.470 -0.088 1.00 0.00 H new ATOM 1413 N GLY A 526 109.485 -11.935 -3.291 1.00 0.00 N ATOM 1414 CA GLY A 526 109.700 -12.394 -4.650 1.00 0.00 C ATOM 1415 C GLY A 526 108.762 -11.745 -5.643 1.00 0.00 C ATOM 1416 O GLY A 526 108.342 -10.602 -5.458 1.00 0.00 O ATOM 0 H GLY A 526 110.325 -11.609 -2.813 1.00 0.00 H new ATOM 0 HA2 GLY A 526 110.730 -12.186 -4.940 1.00 0.00 H new ATOM 0 HA3 GLY A 526 109.570 -13.476 -4.688 1.00 0.00 H new ATOM 1420 N ASP A 527 108.436 -12.474 -6.704 1.00 0.00 N ATOM 1421 CA ASP A 527 107.546 -11.961 -7.736 1.00 0.00 C ATOM 1422 C ASP A 527 106.288 -11.359 -7.120 1.00 0.00 C ATOM 1423 O ASP A 527 105.714 -10.418 -7.663 1.00 0.00 O ATOM 1424 CB ASP A 527 107.168 -13.077 -8.711 1.00 0.00 C ATOM 1425 CG ASP A 527 108.383 -13.778 -9.284 1.00 0.00 C ATOM 1426 OD1 ASP A 527 109.517 -13.381 -8.939 1.00 0.00 O ATOM 1427 OD2 ASP A 527 108.203 -14.725 -10.078 1.00 0.00 O ATOM 0 H ASP A 527 108.775 -13.421 -6.871 1.00 0.00 H new ATOM 0 HA ASP A 527 108.073 -11.176 -8.279 1.00 0.00 H new ATOM 0 HB2 ASP A 527 106.539 -13.805 -8.199 1.00 0.00 H new ATOM 0 HB3 ASP A 527 106.575 -12.660 -9.525 1.00 0.00 H new ATOM 1432 N HIS A 528 105.867 -11.901 -5.981 1.00 0.00 N ATOM 1433 CA HIS A 528 104.681 -11.397 -5.300 1.00 0.00 C ATOM 1434 C HIS A 528 104.904 -9.963 -4.831 1.00 0.00 C ATOM 1435 O HIS A 528 104.051 -9.096 -5.020 1.00 0.00 O ATOM 1436 CB HIS A 528 104.324 -12.289 -4.110 1.00 0.00 C ATOM 1437 CG HIS A 528 102.853 -12.531 -3.964 1.00 0.00 C ATOM 1438 ND1 HIS A 528 102.283 -13.044 -2.818 1.00 0.00 N ATOM 1439 CD2 HIS A 528 101.832 -12.326 -4.830 1.00 0.00 C ATOM 1440 CE1 HIS A 528 100.976 -13.145 -2.985 1.00 0.00 C ATOM 1441 NE2 HIS A 528 100.677 -12.716 -4.197 1.00 0.00 N ATOM 0 H HIS A 528 106.326 -12.683 -5.514 1.00 0.00 H new ATOM 0 HA HIS A 528 103.851 -11.410 -6.006 1.00 0.00 H new ATOM 0 HB2 HIS A 528 104.833 -13.247 -4.219 1.00 0.00 H new ATOM 0 HB3 HIS A 528 104.701 -11.830 -3.196 1.00 0.00 H new ATOM 0 HD2 HIS A 528 101.911 -11.930 -5.832 1.00 0.00 H new ATOM 0 HE1 HIS A 528 100.272 -13.515 -2.254 1.00 0.00 H new ATOM 0 HE2 HIS A 528 99.740 -12.680 -4.598 1.00 0.00 H new ATOM 1450 N GLU A 529 106.066 -9.719 -4.229 1.00 0.00 N ATOM 1451 CA GLU A 529 106.410 -8.388 -3.743 1.00 0.00 C ATOM 1452 C GLU A 529 106.591 -7.430 -4.914 1.00 0.00 C ATOM 1453 O GLU A 529 106.090 -6.303 -4.900 1.00 0.00 O ATOM 1454 CB GLU A 529 107.689 -8.451 -2.898 1.00 0.00 C ATOM 1455 CG GLU A 529 108.961 -8.114 -3.665 1.00 0.00 C ATOM 1456 CD GLU A 529 110.204 -8.202 -2.802 1.00 0.00 C ATOM 1457 OE1 GLU A 529 111.163 -8.891 -3.210 1.00 0.00 O ATOM 1458 OE2 GLU A 529 110.219 -7.583 -1.717 1.00 0.00 O ATOM 0 H GLU A 529 106.783 -10.426 -4.067 1.00 0.00 H new ATOM 0 HA GLU A 529 105.597 -8.019 -3.118 1.00 0.00 H new ATOM 0 HB2 GLU A 529 107.591 -7.762 -2.059 1.00 0.00 H new ATOM 0 HB3 GLU A 529 107.785 -9.453 -2.479 1.00 0.00 H new ATOM 0 HG2 GLU A 529 109.062 -8.794 -4.511 1.00 0.00 H new ATOM 0 HG3 GLU A 529 108.878 -7.107 -4.074 1.00 0.00 H new ATOM 1465 N GLN A 530 107.302 -7.900 -5.929 1.00 0.00 N ATOM 1466 CA GLN A 530 107.553 -7.105 -7.124 1.00 0.00 C ATOM 1467 C GLN A 530 106.247 -6.791 -7.847 1.00 0.00 C ATOM 1468 O GLN A 530 106.063 -5.694 -8.373 1.00 0.00 O ATOM 1469 CB GLN A 530 108.505 -7.845 -8.066 1.00 0.00 C ATOM 1470 CG GLN A 530 108.734 -7.128 -9.386 1.00 0.00 C ATOM 1471 CD GLN A 530 108.387 -7.989 -10.586 1.00 0.00 C ATOM 1472 OE1 GLN A 530 109.220 -8.216 -11.463 1.00 0.00 O ATOM 1473 NE2 GLN A 530 107.150 -8.472 -10.632 1.00 0.00 N ATOM 0 H GLN A 530 107.717 -8.832 -5.949 1.00 0.00 H new ATOM 0 HA GLN A 530 108.016 -6.167 -6.817 1.00 0.00 H new ATOM 0 HB2 GLN A 530 109.464 -7.983 -7.566 1.00 0.00 H new ATOM 0 HB3 GLN A 530 108.105 -8.839 -8.267 1.00 0.00 H new ATOM 0 HG2 GLN A 530 108.133 -6.219 -9.410 1.00 0.00 H new ATOM 0 HG3 GLN A 530 109.778 -6.822 -9.453 1.00 0.00 H new ATOM 0 HE21 GLN A 530 106.491 -8.259 -9.883 1.00 0.00 H new ATOM 0 HE22 GLN A 530 106.859 -9.056 -11.416 1.00 0.00 H new ATOM 1482 N ARG A 531 105.346 -7.767 -7.874 1.00 0.00 N ATOM 1483 CA ARG A 531 104.057 -7.606 -8.535 1.00 0.00 C ATOM 1484 C ARG A 531 103.258 -6.464 -7.916 1.00 0.00 C ATOM 1485 O ARG A 531 102.858 -5.529 -8.610 1.00 0.00 O ATOM 1486 CB ARG A 531 103.258 -8.909 -8.462 1.00 0.00 C ATOM 1487 CG ARG A 531 101.797 -8.753 -8.853 1.00 0.00 C ATOM 1488 CD ARG A 531 100.874 -9.344 -7.802 1.00 0.00 C ATOM 1489 NE ARG A 531 99.526 -9.563 -8.318 1.00 0.00 N ATOM 1490 CZ ARG A 531 98.698 -10.488 -7.846 1.00 0.00 C ATOM 1491 NH1 ARG A 531 99.078 -11.272 -6.847 1.00 0.00 N ATOM 1492 NH2 ARG A 531 97.489 -10.628 -8.371 1.00 0.00 N ATOM 0 H ARG A 531 105.486 -8.681 -7.444 1.00 0.00 H new ATOM 0 HA ARG A 531 104.243 -7.360 -9.580 1.00 0.00 H new ATOM 0 HB2 ARG A 531 103.723 -9.647 -9.116 1.00 0.00 H new ATOM 0 HB3 ARG A 531 103.313 -9.302 -7.447 1.00 0.00 H new ATOM 0 HG2 ARG A 531 101.566 -7.696 -8.989 1.00 0.00 H new ATOM 0 HG3 ARG A 531 101.621 -9.243 -9.811 1.00 0.00 H new ATOM 0 HD2 ARG A 531 101.285 -10.290 -7.449 1.00 0.00 H new ATOM 0 HD3 ARG A 531 100.829 -8.676 -6.942 1.00 0.00 H new ATOM 0 HE ARG A 531 99.202 -8.973 -9.084 1.00 0.00 H new ATOM 0 HH11 ARG A 531 100.007 -11.165 -6.440 1.00 0.00 H new ATOM 0 HH12 ARG A 531 98.441 -11.982 -6.485 1.00 0.00 H new ATOM 0 HH21 ARG A 531 97.193 -10.025 -9.139 1.00 0.00 H new ATOM 0 HH22 ARG A 531 96.854 -11.339 -8.007 1.00 0.00 H new ATOM 1506 N TYR A 532 103.027 -6.539 -6.608 1.00 0.00 N ATOM 1507 CA TYR A 532 102.275 -5.501 -5.912 1.00 0.00 C ATOM 1508 C TYR A 532 102.886 -4.131 -6.185 1.00 0.00 C ATOM 1509 O TYR A 532 102.175 -3.162 -6.461 1.00 0.00 O ATOM 1510 CB TYR A 532 102.259 -5.786 -4.408 1.00 0.00 C ATOM 1511 CG TYR A 532 101.534 -4.742 -3.586 1.00 0.00 C ATOM 1512 CD1 TYR A 532 102.132 -3.525 -3.291 1.00 0.00 C ATOM 1513 CD2 TYR A 532 100.257 -4.981 -3.095 1.00 0.00 C ATOM 1514 CE1 TYR A 532 101.479 -2.573 -2.531 1.00 0.00 C ATOM 1515 CE2 TYR A 532 99.594 -4.033 -2.335 1.00 0.00 C ATOM 1516 CZ TYR A 532 100.211 -2.832 -2.057 1.00 0.00 C ATOM 1517 OH TYR A 532 99.559 -1.885 -1.300 1.00 0.00 O ATOM 0 H TYR A 532 103.348 -7.303 -6.013 1.00 0.00 H new ATOM 0 HA TYR A 532 101.249 -5.502 -6.281 1.00 0.00 H new ATOM 0 HB2 TYR A 532 101.790 -6.755 -4.238 1.00 0.00 H new ATOM 0 HB3 TYR A 532 103.287 -5.862 -4.053 1.00 0.00 H new ATOM 0 HD1 TYR A 532 103.125 -3.318 -3.662 1.00 0.00 H new ATOM 0 HD2 TYR A 532 99.773 -5.922 -3.310 1.00 0.00 H new ATOM 0 HE1 TYR A 532 101.960 -1.631 -2.310 1.00 0.00 H new ATOM 0 HE2 TYR A 532 98.600 -4.233 -1.962 1.00 0.00 H new ATOM 0 HH TYR A 532 98.659 -1.741 -1.660 1.00 0.00 H new ATOM 1527 N TRP A 533 104.212 -4.060 -6.128 1.00 0.00 N ATOM 1528 CA TRP A 533 104.911 -2.811 -6.389 1.00 0.00 C ATOM 1529 C TRP A 533 104.665 -2.353 -7.818 1.00 0.00 C ATOM 1530 O TRP A 533 104.430 -1.171 -8.071 1.00 0.00 O ATOM 1531 CB TRP A 533 106.407 -2.967 -6.128 1.00 0.00 C ATOM 1532 CG TRP A 533 106.771 -2.669 -4.711 1.00 0.00 C ATOM 1533 CD1 TRP A 533 107.179 -3.561 -3.766 1.00 0.00 C ATOM 1534 CD2 TRP A 533 106.741 -1.387 -4.072 1.00 0.00 C ATOM 1535 NE1 TRP A 533 107.406 -2.916 -2.577 1.00 0.00 N ATOM 1536 CE2 TRP A 533 107.146 -1.579 -2.740 1.00 0.00 C ATOM 1537 CE3 TRP A 533 106.415 -0.097 -4.499 1.00 0.00 C ATOM 1538 CZ2 TRP A 533 107.230 -0.528 -1.828 1.00 0.00 C ATOM 1539 CZ3 TRP A 533 106.500 0.945 -3.594 1.00 0.00 C ATOM 1540 CH2 TRP A 533 106.905 0.723 -2.272 1.00 0.00 C ATOM 0 H TRP A 533 104.819 -4.849 -5.905 1.00 0.00 H new ATOM 0 HA TRP A 533 104.522 -2.052 -5.710 1.00 0.00 H new ATOM 0 HB2 TRP A 533 106.712 -3.985 -6.372 1.00 0.00 H new ATOM 0 HB3 TRP A 533 106.960 -2.301 -6.790 1.00 0.00 H new ATOM 0 HD1 TRP A 533 107.305 -4.621 -3.929 1.00 0.00 H new ATOM 0 HE1 TRP A 533 107.717 -3.358 -1.712 1.00 0.00 H new ATOM 0 HE3 TRP A 533 106.102 0.083 -5.517 1.00 0.00 H new ATOM 0 HZ2 TRP A 533 107.541 -0.696 -0.807 1.00 0.00 H new ATOM 0 HZ3 TRP A 533 106.250 1.946 -3.912 1.00 0.00 H new ATOM 0 HH2 TRP A 533 106.962 1.558 -1.589 1.00 0.00 H new ATOM 1551 N GLN A 534 104.702 -3.299 -8.750 1.00 0.00 N ATOM 1552 CA GLN A 534 104.464 -2.986 -10.149 1.00 0.00 C ATOM 1553 C GLN A 534 103.178 -2.183 -10.279 1.00 0.00 C ATOM 1554 O GLN A 534 103.129 -1.175 -10.980 1.00 0.00 O ATOM 1555 CB GLN A 534 104.368 -4.268 -10.978 1.00 0.00 C ATOM 1556 CG GLN A 534 105.717 -4.910 -11.265 1.00 0.00 C ATOM 1557 CD GLN A 534 106.345 -4.402 -12.550 1.00 0.00 C ATOM 1558 OE1 GLN A 534 105.726 -4.436 -13.614 1.00 0.00 O ATOM 1559 NE2 GLN A 534 107.583 -3.930 -12.457 1.00 0.00 N ATOM 0 H GLN A 534 104.894 -4.283 -8.561 1.00 0.00 H new ATOM 0 HA GLN A 534 105.299 -2.396 -10.525 1.00 0.00 H new ATOM 0 HB2 GLN A 534 103.738 -4.985 -10.451 1.00 0.00 H new ATOM 0 HB3 GLN A 534 103.873 -4.043 -11.923 1.00 0.00 H new ATOM 0 HG2 GLN A 534 106.393 -4.714 -10.433 1.00 0.00 H new ATOM 0 HG3 GLN A 534 105.594 -5.991 -11.328 1.00 0.00 H new ATOM 0 HE21 GLN A 534 108.059 -3.921 -11.555 1.00 0.00 H new ATOM 0 HE22 GLN A 534 108.058 -3.577 -13.288 1.00 0.00 H new ATOM 1568 N LYS A 535 102.144 -2.631 -9.576 1.00 0.00 N ATOM 1569 CA LYS A 535 100.863 -1.947 -9.592 1.00 0.00 C ATOM 1570 C LYS A 535 101.015 -0.541 -9.014 1.00 0.00 C ATOM 1571 O LYS A 535 100.417 0.415 -9.506 1.00 0.00 O ATOM 1572 CB LYS A 535 99.824 -2.764 -8.815 1.00 0.00 C ATOM 1573 CG LYS A 535 99.467 -2.203 -7.449 1.00 0.00 C ATOM 1574 CD LYS A 535 98.745 -3.240 -6.608 1.00 0.00 C ATOM 1575 CE LYS A 535 98.586 -2.777 -5.173 1.00 0.00 C ATOM 1576 NZ LYS A 535 97.158 -2.751 -4.753 1.00 0.00 N ATOM 0 H LYS A 535 102.171 -3.465 -8.989 1.00 0.00 H new ATOM 0 HA LYS A 535 100.514 -1.851 -10.620 1.00 0.00 H new ATOM 0 HB2 LYS A 535 98.915 -2.833 -9.413 1.00 0.00 H new ATOM 0 HB3 LYS A 535 100.201 -3.779 -8.689 1.00 0.00 H new ATOM 0 HG2 LYS A 535 100.373 -1.880 -6.936 1.00 0.00 H new ATOM 0 HG3 LYS A 535 98.836 -1.322 -7.567 1.00 0.00 H new ATOM 0 HD2 LYS A 535 97.764 -3.440 -7.038 1.00 0.00 H new ATOM 0 HD3 LYS A 535 99.300 -4.178 -6.630 1.00 0.00 H new ATOM 0 HE2 LYS A 535 99.146 -3.440 -4.514 1.00 0.00 H new ATOM 0 HE3 LYS A 535 99.015 -1.781 -5.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 535 97.092 -2.429 -3.766 1.00 0.00 H new ATOM 0 HZ2 LYS A 535 96.628 -2.099 -5.366 1.00 0.00 H new ATOM 0 HZ3 LYS A 535 96.755 -3.706 -4.833 1.00 0.00 H new ATOM 1590 N ILE A 536 101.837 -0.427 -7.973 1.00 0.00 N ATOM 1591 CA ILE A 536 102.087 0.861 -7.335 1.00 0.00 C ATOM 1592 C ILE A 536 102.726 1.831 -8.324 1.00 0.00 C ATOM 1593 O ILE A 536 102.212 2.924 -8.567 1.00 0.00 O ATOM 1594 CB ILE A 536 103.021 0.719 -6.114 1.00 0.00 C ATOM 1595 CG1 ILE A 536 102.405 -0.202 -5.059 1.00 0.00 C ATOM 1596 CG2 ILE A 536 103.321 2.086 -5.516 1.00 0.00 C ATOM 1597 CD1 ILE A 536 103.114 -0.143 -3.719 1.00 0.00 C ATOM 0 H ILE A 536 102.340 -1.210 -7.555 1.00 0.00 H new ATOM 0 HA ILE A 536 101.123 1.244 -7.002 1.00 0.00 H new ATOM 0 HB ILE A 536 103.956 0.271 -6.450 1.00 0.00 H new ATOM 0 HG12 ILE A 536 101.358 0.067 -4.920 1.00 0.00 H new ATOM 0 HG13 ILE A 536 102.424 -1.228 -5.427 1.00 0.00 H new ATOM 0 HG21 ILE A 536 103.981 1.970 -4.656 1.00 0.00 H new ATOM 0 HG22 ILE A 536 103.807 2.712 -6.264 1.00 0.00 H new ATOM 0 HG23 ILE A 536 102.390 2.557 -5.199 1.00 0.00 H new ATOM 0 HD11 ILE A 536 102.625 -0.820 -3.019 1.00 0.00 H new ATOM 0 HD12 ILE A 536 104.155 -0.440 -3.845 1.00 0.00 H new ATOM 0 HD13 ILE A 536 103.072 0.874 -3.330 1.00 0.00 H new ATOM 1609 N LEU A 537 103.859 1.418 -8.887 1.00 0.00 N ATOM 1610 CA LEU A 537 104.588 2.238 -9.847 1.00 0.00 C ATOM 1611 C LEU A 537 103.734 2.558 -11.071 1.00 0.00 C ATOM 1612 O LEU A 537 103.498 3.726 -11.384 1.00 0.00 O ATOM 1613 CB LEU A 537 105.872 1.528 -10.279 1.00 0.00 C ATOM 1614 CG LEU A 537 106.805 1.117 -9.137 1.00 0.00 C ATOM 1615 CD1 LEU A 537 107.000 -0.391 -9.123 1.00 0.00 C ATOM 1616 CD2 LEU A 537 108.145 1.827 -9.258 1.00 0.00 C ATOM 0 H LEU A 537 104.293 0.515 -8.693 1.00 0.00 H new ATOM 0 HA LEU A 537 104.841 3.178 -9.357 1.00 0.00 H new ATOM 0 HB2 LEU A 537 105.602 0.637 -10.845 1.00 0.00 H new ATOM 0 HB3 LEU A 537 106.420 2.183 -10.957 1.00 0.00 H new ATOM 0 HG LEU A 537 106.344 1.413 -8.195 1.00 0.00 H new ATOM 0 HD11 LEU A 537 107.666 -0.664 -8.305 1.00 0.00 H new ATOM 0 HD12 LEU A 537 106.036 -0.881 -8.986 1.00 0.00 H new ATOM 0 HD13 LEU A 537 107.438 -0.710 -10.069 1.00 0.00 H new ATOM 0 HD21 LEU A 537 108.794 1.522 -8.437 1.00 0.00 H new ATOM 0 HD22 LEU A 537 108.612 1.564 -10.207 1.00 0.00 H new ATOM 0 HD23 LEU A 537 107.991 2.905 -9.217 1.00 0.00 H new ATOM 1628 N VAL A 538 103.280 1.520 -11.768 1.00 0.00 N ATOM 1629 CA VAL A 538 102.461 1.708 -12.961 1.00 0.00 C ATOM 1630 C VAL A 538 101.347 2.717 -12.706 1.00 0.00 C ATOM 1631 O VAL A 538 101.044 3.551 -13.562 1.00 0.00 O ATOM 1632 CB VAL A 538 101.843 0.380 -13.437 1.00 0.00 C ATOM 1633 CG1 VAL A 538 100.852 0.621 -14.565 1.00 0.00 C ATOM 1634 CG2 VAL A 538 102.932 -0.588 -13.876 1.00 0.00 C ATOM 0 H VAL A 538 103.464 0.546 -11.529 1.00 0.00 H new ATOM 0 HA VAL A 538 103.120 2.088 -13.741 1.00 0.00 H new ATOM 0 HB VAL A 538 101.304 -0.066 -12.601 1.00 0.00 H new ATOM 0 HG11 VAL A 538 100.428 -0.330 -14.886 1.00 0.00 H new ATOM 0 HG12 VAL A 538 100.053 1.275 -14.214 1.00 0.00 H new ATOM 0 HG13 VAL A 538 101.364 1.092 -15.405 1.00 0.00 H new ATOM 0 HG21 VAL A 538 102.477 -1.521 -14.209 1.00 0.00 H new ATOM 0 HG22 VAL A 538 103.501 -0.149 -14.696 1.00 0.00 H new ATOM 0 HG23 VAL A 538 103.600 -0.789 -13.038 1.00 0.00 H new ATOM 1644 N ASP A 539 100.749 2.651 -11.520 1.00 0.00 N ATOM 1645 CA ASP A 539 99.681 3.575 -11.159 1.00 0.00 C ATOM 1646 C ASP A 539 100.223 4.997 -11.085 1.00 0.00 C ATOM 1647 O ASP A 539 99.562 5.950 -11.500 1.00 0.00 O ATOM 1648 CB ASP A 539 99.059 3.179 -9.820 1.00 0.00 C ATOM 1649 CG ASP A 539 98.138 4.251 -9.270 1.00 0.00 C ATOM 1650 OD1 ASP A 539 97.570 5.017 -10.077 1.00 0.00 O ATOM 1651 OD2 ASP A 539 97.985 4.325 -8.033 1.00 0.00 O ATOM 0 H ASP A 539 100.985 1.971 -10.797 1.00 0.00 H new ATOM 0 HA ASP A 539 98.908 3.529 -11.926 1.00 0.00 H new ATOM 0 HB2 ASP A 539 98.500 2.251 -9.943 1.00 0.00 H new ATOM 0 HB3 ASP A 539 99.852 2.980 -9.099 1.00 0.00 H new ATOM 1656 N ARG A 540 101.439 5.130 -10.565 1.00 0.00 N ATOM 1657 CA ARG A 540 102.081 6.431 -10.449 1.00 0.00 C ATOM 1658 C ARG A 540 102.286 7.040 -11.828 1.00 0.00 C ATOM 1659 O ARG A 540 102.084 8.238 -12.028 1.00 0.00 O ATOM 1660 CB ARG A 540 103.422 6.303 -9.725 1.00 0.00 C ATOM 1661 CG ARG A 540 103.440 6.971 -8.360 1.00 0.00 C ATOM 1662 CD ARG A 540 102.866 6.059 -7.288 1.00 0.00 C ATOM 1663 NE ARG A 540 103.501 6.275 -5.991 1.00 0.00 N ATOM 1664 CZ ARG A 540 103.261 7.332 -5.222 1.00 0.00 C ATOM 1665 NH1 ARG A 540 102.401 8.261 -5.619 1.00 0.00 N ATOM 1666 NH2 ARG A 540 103.879 7.460 -4.055 1.00 0.00 N ATOM 0 H ARG A 540 101.998 4.351 -10.218 1.00 0.00 H new ATOM 0 HA ARG A 540 101.433 7.086 -9.867 1.00 0.00 H new ATOM 0 HB2 ARG A 540 103.663 5.247 -9.607 1.00 0.00 H new ATOM 0 HB3 ARG A 540 104.204 6.741 -10.345 1.00 0.00 H new ATOM 0 HG2 ARG A 540 104.463 7.242 -8.099 1.00 0.00 H new ATOM 0 HG3 ARG A 540 102.865 7.896 -8.399 1.00 0.00 H new ATOM 0 HD2 ARG A 540 101.793 6.232 -7.200 1.00 0.00 H new ATOM 0 HD3 ARG A 540 102.997 5.019 -7.588 1.00 0.00 H new ATOM 0 HE ARG A 540 104.165 5.577 -5.657 1.00 0.00 H new ATOM 0 HH11 ARG A 540 101.923 8.164 -6.515 1.00 0.00 H new ATOM 0 HH12 ARG A 540 102.217 9.072 -5.028 1.00 0.00 H new ATOM 0 HH21 ARG A 540 104.540 6.747 -3.747 1.00 0.00 H new ATOM 0 HH22 ARG A 540 103.694 8.272 -3.466 1.00 0.00 H new ATOM 1680 N GLN A 541 102.678 6.200 -12.782 1.00 0.00 N ATOM 1681 CA GLN A 541 102.899 6.650 -14.148 1.00 0.00 C ATOM 1682 C GLN A 541 101.608 7.207 -14.733 1.00 0.00 C ATOM 1683 O GLN A 541 101.611 8.246 -15.394 1.00 0.00 O ATOM 1684 CB GLN A 541 103.412 5.497 -15.013 1.00 0.00 C ATOM 1685 CG GLN A 541 104.857 5.659 -15.450 1.00 0.00 C ATOM 1686 CD GLN A 541 105.749 4.546 -14.936 1.00 0.00 C ATOM 1687 OE1 GLN A 541 105.992 3.559 -15.630 1.00 0.00 O ATOM 1688 NE2 GLN A 541 106.243 4.701 -13.713 1.00 0.00 N ATOM 0 H GLN A 541 102.848 5.206 -12.632 1.00 0.00 H new ATOM 0 HA GLN A 541 103.651 7.439 -14.136 1.00 0.00 H new ATOM 0 HB2 GLN A 541 103.312 4.565 -14.457 1.00 0.00 H new ATOM 0 HB3 GLN A 541 102.782 5.410 -15.898 1.00 0.00 H new ATOM 0 HG2 GLN A 541 104.903 5.683 -16.539 1.00 0.00 H new ATOM 0 HG3 GLN A 541 105.235 6.617 -15.094 1.00 0.00 H new ATOM 0 HE21 GLN A 541 106.015 5.536 -13.173 1.00 0.00 H new ATOM 0 HE22 GLN A 541 106.850 3.985 -13.314 1.00 0.00 H new ATOM 1697 N ALA A 542 100.503 6.515 -14.473 1.00 0.00 N ATOM 1698 CA ALA A 542 99.201 6.948 -14.963 1.00 0.00 C ATOM 1699 C ALA A 542 98.840 8.308 -14.379 1.00 0.00 C ATOM 1700 O ALA A 542 98.204 9.131 -15.037 1.00 0.00 O ATOM 1701 CB ALA A 542 98.123 5.927 -14.632 1.00 0.00 C ATOM 0 H ALA A 542 100.484 5.654 -13.927 1.00 0.00 H new ATOM 0 HA ALA A 542 99.261 7.036 -16.048 1.00 0.00 H new ATOM 0 HB1 ALA A 542 97.162 6.277 -15.010 1.00 0.00 H new ATOM 0 HB2 ALA A 542 98.370 4.973 -15.097 1.00 0.00 H new ATOM 0 HB3 ALA A 542 98.063 5.799 -13.551 1.00 0.00 H new ATOM 1707 N LYS A 543 99.258 8.537 -13.138 1.00 0.00 N ATOM 1708 CA LYS A 543 98.987 9.798 -12.460 1.00 0.00 C ATOM 1709 C LYS A 543 99.262 10.981 -13.383 1.00 0.00 C ATOM 1710 O LYS A 543 98.676 12.052 -13.228 1.00 0.00 O ATOM 1711 CB LYS A 543 99.839 9.915 -11.194 1.00 0.00 C ATOM 1712 CG LYS A 543 99.590 8.804 -10.185 1.00 0.00 C ATOM 1713 CD LYS A 543 98.152 8.808 -9.690 1.00 0.00 C ATOM 1714 CE LYS A 543 97.932 7.759 -8.611 1.00 0.00 C ATOM 1715 NZ LYS A 543 98.451 8.205 -7.289 1.00 0.00 N ATOM 0 H LYS A 543 99.786 7.865 -12.582 1.00 0.00 H new ATOM 0 HA LYS A 543 97.933 9.813 -12.182 1.00 0.00 H new ATOM 0 HB2 LYS A 543 100.892 9.910 -11.474 1.00 0.00 H new ATOM 0 HB3 LYS A 543 99.639 10.876 -10.720 1.00 0.00 H new ATOM 0 HG2 LYS A 543 99.815 7.840 -10.641 1.00 0.00 H new ATOM 0 HG3 LYS A 543 100.267 8.922 -9.339 1.00 0.00 H new ATOM 0 HD2 LYS A 543 97.904 9.794 -9.297 1.00 0.00 H new ATOM 0 HD3 LYS A 543 97.478 8.619 -10.525 1.00 0.00 H new ATOM 0 HE2 LYS A 543 96.867 7.541 -8.528 1.00 0.00 H new ATOM 0 HE3 LYS A 543 98.426 6.831 -8.901 1.00 0.00 H new ATOM 0 HZ1 LYS A 543 98.282 7.462 -6.581 1.00 0.00 H new ATOM 0 HZ2 LYS A 543 99.472 8.389 -7.361 1.00 0.00 H new ATOM 0 HZ3 LYS A 543 97.962 9.076 -7.000 1.00 0.00 H new ATOM 1729 N LEU A 544 100.158 10.778 -14.345 1.00 0.00 N ATOM 1730 CA LEU A 544 100.509 11.827 -15.295 1.00 0.00 C ATOM 1731 C LEU A 544 99.279 12.293 -16.066 1.00 0.00 C ATOM 1732 O LEU A 544 99.163 13.465 -16.422 1.00 0.00 O ATOM 1733 CB LEU A 544 101.580 11.327 -16.267 1.00 0.00 C ATOM 1734 CG LEU A 544 102.568 12.393 -16.746 1.00 0.00 C ATOM 1735 CD1 LEU A 544 103.480 12.825 -15.609 1.00 0.00 C ATOM 1736 CD2 LEU A 544 103.388 11.873 -17.919 1.00 0.00 C ATOM 0 H LEU A 544 100.653 9.898 -14.486 1.00 0.00 H new ATOM 0 HA LEU A 544 100.906 12.674 -14.735 1.00 0.00 H new ATOM 0 HB2 LEU A 544 102.140 10.525 -15.786 1.00 0.00 H new ATOM 0 HB3 LEU A 544 101.086 10.894 -17.137 1.00 0.00 H new ATOM 0 HG LEU A 544 102.000 13.261 -17.081 1.00 0.00 H new ATOM 0 HD11 LEU A 544 104.176 13.583 -15.969 1.00 0.00 H new ATOM 0 HD12 LEU A 544 102.880 13.238 -14.798 1.00 0.00 H new ATOM 0 HD13 LEU A 544 104.039 11.964 -15.244 1.00 0.00 H new ATOM 0 HD21 LEU A 544 104.085 12.645 -18.246 1.00 0.00 H new ATOM 0 HD22 LEU A 544 103.945 10.988 -17.610 1.00 0.00 H new ATOM 0 HD23 LEU A 544 102.722 11.613 -18.742 1.00 0.00 H new ATOM 1748 N ASN A 545 98.357 11.367 -16.312 1.00 0.00 N ATOM 1749 CA ASN A 545 97.129 11.681 -17.033 1.00 0.00 C ATOM 1750 C ASN A 545 95.953 11.791 -16.067 1.00 0.00 C ATOM 1751 O ASN A 545 96.042 11.357 -14.919 1.00 0.00 O ATOM 1752 CB ASN A 545 96.840 10.608 -18.085 1.00 0.00 C ATOM 1753 CG ASN A 545 97.509 10.903 -19.412 1.00 0.00 C ATOM 1754 OD1 ASN A 545 96.934 10.675 -20.476 1.00 0.00 O ATOM 1755 ND2 ASN A 545 98.733 11.415 -19.357 1.00 0.00 N ATOM 0 H ASN A 545 98.438 10.392 -16.022 1.00 0.00 H new ATOM 0 HA ASN A 545 97.262 12.640 -17.533 1.00 0.00 H new ATOM 0 HB2 ASN A 545 97.182 9.641 -17.716 1.00 0.00 H new ATOM 0 HB3 ASN A 545 95.763 10.530 -18.234 1.00 0.00 H new ATOM 0 HD21 ASN A 545 99.233 11.635 -20.218 1.00 0.00 H new ATOM 0 HD22 ASN A 545 99.173 11.588 -18.453 1.00 0.00 H new ATOM 1762 N GLN A 546 94.852 12.373 -16.535 1.00 0.00 N ATOM 1763 CA GLN A 546 93.666 12.535 -15.702 1.00 0.00 C ATOM 1764 C GLN A 546 94.032 13.155 -14.358 1.00 0.00 C ATOM 1765 O GLN A 546 94.586 12.488 -13.484 1.00 0.00 O ATOM 1766 CB GLN A 546 92.981 11.183 -15.484 1.00 0.00 C ATOM 1767 CG GLN A 546 91.541 11.299 -15.011 1.00 0.00 C ATOM 1768 CD GLN A 546 90.592 10.427 -15.811 1.00 0.00 C ATOM 1769 OE1 GLN A 546 90.328 10.690 -16.983 1.00 0.00 O ATOM 1770 NE2 GLN A 546 90.074 9.379 -15.178 1.00 0.00 N ATOM 0 H GLN A 546 94.757 12.739 -17.483 1.00 0.00 H new ATOM 0 HA GLN A 546 92.976 13.204 -16.217 1.00 0.00 H new ATOM 0 HB2 GLN A 546 93.004 10.619 -16.417 1.00 0.00 H new ATOM 0 HB3 GLN A 546 93.550 10.611 -14.751 1.00 0.00 H new ATOM 0 HG2 GLN A 546 91.485 11.020 -13.959 1.00 0.00 H new ATOM 0 HG3 GLN A 546 91.221 12.339 -15.083 1.00 0.00 H new ATOM 0 HE21 GLN A 546 90.320 9.198 -14.205 1.00 0.00 H new ATOM 0 HE22 GLN A 546 89.430 8.756 -15.665 1.00 0.00 H new ATOM 1779 N PRO A 547 93.727 14.449 -14.178 1.00 0.00 N ATOM 1780 CA PRO A 547 94.027 15.169 -12.937 1.00 0.00 C ATOM 1781 C PRO A 547 93.155 14.715 -11.773 1.00 0.00 C ATOM 1782 O PRO A 547 91.933 14.853 -11.810 1.00 0.00 O ATOM 1783 CB PRO A 547 93.725 16.627 -13.292 1.00 0.00 C ATOM 1784 CG PRO A 547 92.720 16.545 -14.388 1.00 0.00 C ATOM 1785 CD PRO A 547 93.070 15.313 -15.175 1.00 0.00 C ATOM 0 HA PRO A 547 95.051 14.997 -12.606 1.00 0.00 H new ATOM 0 HB2 PRO A 547 93.332 17.171 -12.433 1.00 0.00 H new ATOM 0 HB3 PRO A 547 94.624 17.151 -13.617 1.00 0.00 H new ATOM 0 HG2 PRO A 547 91.709 16.478 -13.987 1.00 0.00 H new ATOM 0 HG3 PRO A 547 92.755 17.434 -15.018 1.00 0.00 H new ATOM 0 HD2 PRO A 547 92.183 14.839 -15.596 1.00 0.00 H new ATOM 0 HD3 PRO A 547 93.734 15.543 -16.008 1.00 0.00 H new ATOM 1793 N ARG A 548 93.794 14.181 -10.737 1.00 0.00 N ATOM 1794 CA ARG A 548 93.076 13.714 -9.557 1.00 0.00 C ATOM 1795 C ARG A 548 92.650 14.894 -8.688 1.00 0.00 C ATOM 1796 O ARG A 548 93.480 15.529 -8.037 1.00 0.00 O ATOM 1797 CB ARG A 548 93.952 12.758 -8.745 1.00 0.00 C ATOM 1798 CG ARG A 548 93.914 11.324 -9.248 1.00 0.00 C ATOM 1799 CD ARG A 548 93.741 10.338 -8.104 1.00 0.00 C ATOM 1800 NE ARG A 548 92.561 9.495 -8.282 1.00 0.00 N ATOM 1801 CZ ARG A 548 92.514 8.464 -9.118 1.00 0.00 C ATOM 1802 NH1 ARG A 548 93.575 8.150 -9.849 1.00 0.00 N ATOM 1803 NH2 ARG A 548 91.406 7.743 -9.225 1.00 0.00 N ATOM 0 H ARG A 548 94.806 14.061 -10.691 1.00 0.00 H new ATOM 0 HA ARG A 548 92.184 13.182 -9.887 1.00 0.00 H new ATOM 0 HB2 ARG A 548 94.982 13.115 -8.766 1.00 0.00 H new ATOM 0 HB3 ARG A 548 93.629 12.778 -7.704 1.00 0.00 H new ATOM 0 HG2 ARG A 548 93.095 11.208 -9.957 1.00 0.00 H new ATOM 0 HG3 ARG A 548 94.835 11.101 -9.786 1.00 0.00 H new ATOM 0 HD2 ARG A 548 94.628 9.709 -8.030 1.00 0.00 H new ATOM 0 HD3 ARG A 548 93.658 10.884 -7.164 1.00 0.00 H new ATOM 0 HE ARG A 548 91.728 9.710 -7.734 1.00 0.00 H new ATOM 0 HH11 ARG A 548 94.430 8.701 -9.770 1.00 0.00 H new ATOM 0 HH12 ARG A 548 93.536 7.358 -10.490 1.00 0.00 H new ATOM 0 HH21 ARG A 548 90.587 7.980 -8.665 1.00 0.00 H new ATOM 0 HH22 ARG A 548 91.373 6.952 -9.868 1.00 0.00 H new ATOM 1817 N GLU A 549 91.354 15.184 -8.686 1.00 0.00 N ATOM 1818 CA GLU A 549 90.821 16.291 -7.902 1.00 0.00 C ATOM 1819 C GLU A 549 89.966 15.783 -6.745 1.00 0.00 C ATOM 1820 O GLU A 549 89.805 14.577 -6.561 1.00 0.00 O ATOM 1821 CB GLU A 549 89.992 17.219 -8.793 1.00 0.00 C ATOM 1822 CG GLU A 549 90.604 18.598 -8.972 1.00 0.00 C ATOM 1823 CD GLU A 549 89.610 19.611 -9.507 1.00 0.00 C ATOM 1824 OE1 GLU A 549 89.658 19.907 -10.719 1.00 0.00 O ATOM 1825 OE2 GLU A 549 88.784 20.108 -8.711 1.00 0.00 O ATOM 0 H GLU A 549 90.653 14.668 -9.218 1.00 0.00 H new ATOM 0 HA GLU A 549 91.663 16.847 -7.489 1.00 0.00 H new ATOM 0 HB2 GLU A 549 89.870 16.755 -9.772 1.00 0.00 H new ATOM 0 HB3 GLU A 549 88.996 17.326 -8.364 1.00 0.00 H new ATOM 0 HG2 GLU A 549 90.993 18.946 -8.015 1.00 0.00 H new ATOM 0 HG3 GLU A 549 91.451 18.530 -9.655 1.00 0.00 H new ATOM 1832 N LYS A 550 89.420 16.717 -5.972 1.00 0.00 N ATOM 1833 CA LYS A 550 88.579 16.373 -4.832 1.00 0.00 C ATOM 1834 C LYS A 550 89.363 15.592 -3.783 1.00 0.00 C ATOM 1835 O LYS A 550 89.853 14.493 -4.049 1.00 0.00 O ATOM 1836 CB LYS A 550 87.366 15.560 -5.291 1.00 0.00 C ATOM 1837 CG LYS A 550 86.088 16.377 -5.377 1.00 0.00 C ATOM 1838 CD LYS A 550 84.853 15.503 -5.216 1.00 0.00 C ATOM 1839 CE LYS A 550 83.581 16.277 -5.523 1.00 0.00 C ATOM 1840 NZ LYS A 550 82.477 15.927 -4.588 1.00 0.00 N ATOM 0 H LYS A 550 89.546 17.719 -6.115 1.00 0.00 H new ATOM 0 HA LYS A 550 88.235 17.303 -4.378 1.00 0.00 H new ATOM 0 HB2 LYS A 550 87.578 15.127 -6.268 1.00 0.00 H new ATOM 0 HB3 LYS A 550 87.212 14.730 -4.601 1.00 0.00 H new ATOM 0 HG2 LYS A 550 86.094 17.145 -4.604 1.00 0.00 H new ATOM 0 HG3 LYS A 550 86.048 16.891 -6.337 1.00 0.00 H new ATOM 0 HD2 LYS A 550 84.926 14.642 -5.880 1.00 0.00 H new ATOM 0 HD3 LYS A 550 84.809 15.117 -4.198 1.00 0.00 H new ATOM 0 HE2 LYS A 550 83.783 17.346 -5.461 1.00 0.00 H new ATOM 0 HE3 LYS A 550 83.269 16.070 -6.547 1.00 0.00 H new ATOM 0 HZ1 LYS A 550 81.628 16.476 -4.832 1.00 0.00 H new ATOM 0 HZ2 LYS A 550 82.266 14.912 -4.665 1.00 0.00 H new ATOM 0 HZ3 LYS A 550 82.764 16.148 -3.613 1.00 0.00 H new ATOM 1854 N LYS A 551 89.472 16.166 -2.589 1.00 0.00 N ATOM 1855 CA LYS A 551 90.190 15.526 -1.493 1.00 0.00 C ATOM 1856 C LYS A 551 89.213 14.907 -0.500 1.00 0.00 C ATOM 1857 O LYS A 551 89.413 14.982 0.713 1.00 0.00 O ATOM 1858 CB LYS A 551 91.088 16.539 -0.780 1.00 0.00 C ATOM 1859 CG LYS A 551 90.326 17.705 -0.170 1.00 0.00 C ATOM 1860 CD LYS A 551 90.629 17.857 1.311 1.00 0.00 C ATOM 1861 CE LYS A 551 89.388 18.249 2.098 1.00 0.00 C ATOM 1862 NZ LYS A 551 88.587 19.290 1.395 1.00 0.00 N ATOM 0 H LYS A 551 89.071 17.075 -2.356 1.00 0.00 H new ATOM 0 HA LYS A 551 90.813 14.734 -1.910 1.00 0.00 H new ATOM 0 HB2 LYS A 551 91.644 16.029 0.006 1.00 0.00 H new ATOM 0 HB3 LYS A 551 91.820 16.925 -1.489 1.00 0.00 H new ATOM 0 HG2 LYS A 551 90.589 18.625 -0.692 1.00 0.00 H new ATOM 0 HG3 LYS A 551 89.256 17.554 -0.309 1.00 0.00 H new ATOM 0 HD2 LYS A 551 91.026 16.919 1.700 1.00 0.00 H new ATOM 0 HD3 LYS A 551 91.402 18.613 1.449 1.00 0.00 H new ATOM 0 HE2 LYS A 551 88.770 17.367 2.264 1.00 0.00 H new ATOM 0 HE3 LYS A 551 89.683 18.620 3.079 1.00 0.00 H new ATOM 0 HZ1 LYS A 551 88.067 19.858 2.094 1.00 0.00 H new ATOM 0 HZ2 LYS A 551 89.222 19.908 0.850 1.00 0.00 H new ATOM 0 HZ3 LYS A 551 87.912 18.832 0.750 1.00 0.00 H new ATOM 1876 N ARG A 552 88.152 14.301 -1.022 1.00 0.00 N ATOM 1877 CA ARG A 552 87.138 13.673 -0.183 1.00 0.00 C ATOM 1878 C ARG A 552 87.567 12.274 0.247 1.00 0.00 C ATOM 1879 O ARG A 552 87.908 11.435 -0.586 1.00 0.00 O ATOM 1880 CB ARG A 552 85.804 13.603 -0.928 1.00 0.00 C ATOM 1881 CG ARG A 552 84.669 13.037 -0.092 1.00 0.00 C ATOM 1882 CD ARG A 552 83.839 14.141 0.539 1.00 0.00 C ATOM 1883 NE ARG A 552 82.659 14.463 -0.258 1.00 0.00 N ATOM 1884 CZ ARG A 552 81.928 15.557 -0.082 1.00 0.00 C ATOM 1885 NH1 ARG A 552 82.268 16.442 0.846 1.00 0.00 N ATOM 1886 NH2 ARG A 552 80.859 15.772 -0.837 1.00 0.00 N ATOM 0 H ARG A 552 87.972 14.231 -2.024 1.00 0.00 H new ATOM 0 HA ARG A 552 87.018 14.284 0.712 1.00 0.00 H new ATOM 0 HB2 ARG A 552 85.532 14.604 -1.264 1.00 0.00 H new ATOM 0 HB3 ARG A 552 85.928 12.989 -1.820 1.00 0.00 H new ATOM 0 HG2 ARG A 552 84.031 12.413 -0.718 1.00 0.00 H new ATOM 0 HG3 ARG A 552 85.076 12.395 0.689 1.00 0.00 H new ATOM 0 HD2 ARG A 552 83.529 13.835 1.538 1.00 0.00 H new ATOM 0 HD3 ARG A 552 84.453 15.034 0.655 1.00 0.00 H new ATOM 0 HE ARG A 552 82.381 13.811 -0.991 1.00 0.00 H new ATOM 0 HH11 ARG A 552 83.092 16.282 1.425 1.00 0.00 H new ATOM 0 HH12 ARG A 552 81.705 17.282 0.980 1.00 0.00 H new ATOM 0 HH21 ARG A 552 80.597 15.096 -1.555 1.00 0.00 H new ATOM 0 HH22 ARG A 552 80.299 16.613 -0.700 1.00 0.00 H new ATOM 1900 N GLY A 553 87.543 12.029 1.553 1.00 0.00 N ATOM 1901 CA GLY A 553 87.927 10.730 2.072 1.00 0.00 C ATOM 1902 C GLY A 553 89.394 10.658 2.445 1.00 0.00 C ATOM 1903 O GLY A 553 89.809 9.766 3.185 1.00 0.00 O ATOM 0 H GLY A 553 87.264 12.708 2.261 1.00 0.00 H new ATOM 0 HA2 GLY A 553 87.322 10.501 2.949 1.00 0.00 H new ATOM 0 HA3 GLY A 553 87.708 9.966 1.326 1.00 0.00 H new ATOM 1907 N THR A 554 90.182 11.596 1.931 1.00 0.00 N ATOM 1908 CA THR A 554 91.612 11.630 2.216 1.00 0.00 C ATOM 1909 C THR A 554 92.003 12.926 2.920 1.00 0.00 C ATOM 1910 O THR A 554 91.796 14.018 2.390 1.00 0.00 O ATOM 1911 CB THR A 554 92.445 11.485 0.928 1.00 0.00 C ATOM 1912 OG1 THR A 554 91.791 12.100 -0.190 1.00 0.00 O ATOM 1913 CG2 THR A 554 92.684 10.019 0.599 1.00 0.00 C ATOM 0 H THR A 554 89.856 12.342 1.316 1.00 0.00 H new ATOM 0 HA THR A 554 91.824 10.786 2.873 1.00 0.00 H new ATOM 0 HB THR A 554 93.397 11.984 1.109 1.00 0.00 H new ATOM 0 HG1 THR A 554 92.344 11.993 -0.992 1.00 0.00 H new ATOM 0 HG21 THR A 554 93.274 9.943 -0.314 1.00 0.00 H new ATOM 0 HG22 THR A 554 93.222 9.545 1.420 1.00 0.00 H new ATOM 0 HG23 THR A 554 91.727 9.518 0.456 1.00 0.00 H new ATOM 1921 N GLU A 555 92.570 12.798 4.116 1.00 0.00 N ATOM 1922 CA GLU A 555 92.990 13.960 4.891 1.00 0.00 C ATOM 1923 C GLU A 555 94.437 14.324 4.580 1.00 0.00 C ATOM 1924 O GLU A 555 95.289 13.447 4.427 1.00 0.00 O ATOM 1925 CB GLU A 555 92.830 13.688 6.388 1.00 0.00 C ATOM 1926 CG GLU A 555 91.406 13.861 6.888 1.00 0.00 C ATOM 1927 CD GLU A 555 91.030 12.842 7.947 1.00 0.00 C ATOM 1928 OE1 GLU A 555 91.805 11.884 8.149 1.00 0.00 O ATOM 1929 OE2 GLU A 555 89.962 13.004 8.574 1.00 0.00 O ATOM 0 H GLU A 555 92.749 11.902 4.569 1.00 0.00 H new ATOM 0 HA GLU A 555 92.354 14.800 4.613 1.00 0.00 H new ATOM 0 HB2 GLU A 555 93.160 12.671 6.602 1.00 0.00 H new ATOM 0 HB3 GLU A 555 93.485 14.359 6.943 1.00 0.00 H new ATOM 0 HG2 GLU A 555 91.288 14.864 7.297 1.00 0.00 H new ATOM 0 HG3 GLU A 555 90.717 13.777 6.047 1.00 0.00 H new ATOM 1936 N LYS A 556 94.712 15.621 4.483 1.00 0.00 N ATOM 1937 CA LYS A 556 96.058 16.094 4.186 1.00 0.00 C ATOM 1938 C LYS A 556 96.291 17.486 4.765 1.00 0.00 C ATOM 1939 O LYS A 556 95.522 18.412 4.509 1.00 0.00 O ATOM 1940 CB LYS A 556 96.291 16.115 2.675 1.00 0.00 C ATOM 1941 CG LYS A 556 96.251 14.739 2.032 1.00 0.00 C ATOM 1942 CD LYS A 556 96.197 14.834 0.515 1.00 0.00 C ATOM 1943 CE LYS A 556 96.952 13.692 -0.143 1.00 0.00 C ATOM 1944 NZ LYS A 556 96.143 12.442 -0.184 1.00 0.00 N ATOM 0 H LYS A 556 94.021 16.361 4.606 1.00 0.00 H new ATOM 0 HA LYS A 556 96.765 15.406 4.649 1.00 0.00 H new ATOM 0 HB2 LYS A 556 95.535 16.747 2.208 1.00 0.00 H new ATOM 0 HB3 LYS A 556 97.259 16.573 2.472 1.00 0.00 H new ATOM 0 HG2 LYS A 556 97.132 14.171 2.331 1.00 0.00 H new ATOM 0 HG3 LYS A 556 95.381 14.192 2.395 1.00 0.00 H new ATOM 0 HD2 LYS A 556 95.158 14.822 0.186 1.00 0.00 H new ATOM 0 HD3 LYS A 556 96.622 15.785 0.194 1.00 0.00 H new ATOM 0 HE2 LYS A 556 97.230 13.978 -1.157 1.00 0.00 H new ATOM 0 HE3 LYS A 556 97.878 13.507 0.402 1.00 0.00 H new ATOM 0 HZ1 LYS A 556 96.694 11.687 -0.640 1.00 0.00 H new ATOM 0 HZ2 LYS A 556 95.899 12.155 0.785 1.00 0.00 H new ATOM 0 HZ3 LYS A 556 95.271 12.610 -0.725 1.00 0.00 H new ATOM 1958 N LEU A 557 97.360 17.625 5.543 1.00 0.00 N ATOM 1959 CA LEU A 557 97.700 18.904 6.154 1.00 0.00 C ATOM 1960 C LEU A 557 98.701 19.666 5.291 1.00 0.00 C ATOM 1961 O LEU A 557 99.107 19.192 4.230 1.00 0.00 O ATOM 1962 CB LEU A 557 98.274 18.688 7.556 1.00 0.00 C ATOM 1963 CG LEU A 557 97.273 18.860 8.699 1.00 0.00 C ATOM 1964 CD1 LEU A 557 97.236 17.613 9.569 1.00 0.00 C ATOM 1965 CD2 LEU A 557 97.622 20.084 9.533 1.00 0.00 C ATOM 0 H LEU A 557 98.005 16.867 5.765 1.00 0.00 H new ATOM 0 HA LEU A 557 96.789 19.497 6.232 1.00 0.00 H new ATOM 0 HB2 LEU A 557 98.694 17.684 7.609 1.00 0.00 H new ATOM 0 HB3 LEU A 557 99.097 19.386 7.706 1.00 0.00 H new ATOM 0 HG LEU A 557 96.282 19.008 8.270 1.00 0.00 H new ATOM 0 HD11 LEU A 557 96.518 17.754 10.377 1.00 0.00 H new ATOM 0 HD12 LEU A 557 96.938 16.756 8.964 1.00 0.00 H new ATOM 0 HD13 LEU A 557 98.225 17.434 9.990 1.00 0.00 H new ATOM 0 HD21 LEU A 557 96.899 20.191 10.342 1.00 0.00 H new ATOM 0 HD22 LEU A 557 98.621 19.966 9.952 1.00 0.00 H new ATOM 0 HD23 LEU A 557 97.596 20.973 8.903 1.00 0.00 H new ATOM 1977 N ILE A 558 99.094 20.848 5.751 1.00 0.00 N ATOM 1978 CA ILE A 558 100.046 21.673 5.017 1.00 0.00 C ATOM 1979 C ILE A 558 99.460 22.133 3.687 1.00 0.00 C ATOM 1980 O ILE A 558 98.658 21.429 3.074 1.00 0.00 O ATOM 1981 CB ILE A 558 101.359 20.912 4.750 1.00 0.00 C ATOM 1982 CG1 ILE A 558 101.985 20.451 6.067 1.00 0.00 C ATOM 1983 CG2 ILE A 558 102.331 21.787 3.973 1.00 0.00 C ATOM 1984 CD1 ILE A 558 103.307 19.736 5.890 1.00 0.00 C ATOM 0 H ILE A 558 98.769 21.256 6.627 1.00 0.00 H new ATOM 0 HA ILE A 558 100.259 22.542 5.639 1.00 0.00 H new ATOM 0 HB ILE A 558 101.134 20.031 4.149 1.00 0.00 H new ATOM 0 HG12 ILE A 558 102.133 21.317 6.712 1.00 0.00 H new ATOM 0 HG13 ILE A 558 101.288 19.787 6.579 1.00 0.00 H new ATOM 0 HG21 ILE A 558 103.253 21.235 3.793 1.00 0.00 H new ATOM 0 HG22 ILE A 558 101.884 22.069 3.019 1.00 0.00 H new ATOM 0 HG23 ILE A 558 102.553 22.685 4.549 1.00 0.00 H new ATOM 0 HD11 ILE A 558 103.693 19.438 6.865 1.00 0.00 H new ATOM 0 HD12 ILE A 558 103.162 18.851 5.271 1.00 0.00 H new ATOM 0 HD13 ILE A 558 104.020 20.404 5.407 1.00 0.00 H new ATOM 1996 N THR A 559 99.866 23.319 3.246 1.00 0.00 N ATOM 1997 CA THR A 559 99.381 23.873 1.987 1.00 0.00 C ATOM 1998 C THR A 559 100.257 23.436 0.819 1.00 0.00 C ATOM 1999 O THR A 559 101.354 22.913 1.015 1.00 0.00 O ATOM 2000 CB THR A 559 99.335 25.412 2.032 1.00 0.00 C ATOM 2001 OG1 THR A 559 99.986 25.919 3.205 1.00 0.00 O ATOM 2002 CG2 THR A 559 97.900 25.913 2.023 1.00 0.00 C ATOM 0 H THR A 559 100.529 23.915 3.741 1.00 0.00 H new ATOM 0 HA THR A 559 98.371 23.490 1.842 1.00 0.00 H new ATOM 0 HB THR A 559 99.857 25.770 1.145 1.00 0.00 H new ATOM 0 HG1 THR A 559 99.943 26.898 3.206 1.00 0.00 H new ATOM 0 HG21 THR A 559 97.895 27.003 2.055 1.00 0.00 H new ATOM 0 HG22 THR A 559 97.402 25.575 1.114 1.00 0.00 H new ATOM 0 HG23 THR A 559 97.373 25.522 2.893 1.00 0.00 H new ATOM 2010 N LYS A 560 99.764 23.655 -0.395 1.00 0.00 N ATOM 2011 CA LYS A 560 100.500 23.284 -1.598 1.00 0.00 C ATOM 2012 C LYS A 560 101.715 24.186 -1.790 1.00 0.00 C ATOM 2013 O LYS A 560 102.857 23.741 -1.669 1.00 0.00 O ATOM 2014 CB LYS A 560 99.589 23.369 -2.824 1.00 0.00 C ATOM 2015 CG LYS A 560 98.285 22.605 -2.661 1.00 0.00 C ATOM 2016 CD LYS A 560 97.742 22.140 -4.003 1.00 0.00 C ATOM 2017 CE LYS A 560 96.425 21.399 -3.841 1.00 0.00 C ATOM 2018 NZ LYS A 560 96.569 19.944 -4.126 1.00 0.00 N ATOM 0 H LYS A 560 98.857 24.088 -0.572 1.00 0.00 H new ATOM 0 HA LYS A 560 100.846 22.257 -1.481 1.00 0.00 H new ATOM 0 HB2 LYS A 560 99.365 24.416 -3.029 1.00 0.00 H new ATOM 0 HB3 LYS A 560 100.123 22.981 -3.692 1.00 0.00 H new ATOM 0 HG2 LYS A 560 98.445 21.743 -2.013 1.00 0.00 H new ATOM 0 HG3 LYS A 560 97.548 23.240 -2.169 1.00 0.00 H new ATOM 0 HD2 LYS A 560 97.599 23.000 -4.657 1.00 0.00 H new ATOM 0 HD3 LYS A 560 98.471 21.489 -4.486 1.00 0.00 H new ATOM 0 HE2 LYS A 560 96.054 21.535 -2.825 1.00 0.00 H new ATOM 0 HE3 LYS A 560 95.681 21.829 -4.512 1.00 0.00 H new ATOM 0 HZ1 LYS A 560 95.649 19.474 -4.005 1.00 0.00 H new ATOM 0 HZ2 LYS A 560 96.899 19.813 -5.104 1.00 0.00 H new ATOM 0 HZ3 LYS A 560 97.260 19.528 -3.469 1.00 0.00 H new ATOM 2032 N ALA A 561 101.461 25.455 -2.091 1.00 0.00 N ATOM 2033 CA ALA A 561 102.532 26.422 -2.299 1.00 0.00 C ATOM 2034 C ALA A 561 103.544 25.904 -3.314 1.00 0.00 C ATOM 2035 O ALA A 561 103.365 26.175 -4.520 1.00 0.00 O ATOM 2036 CB ALA A 561 103.226 26.757 -0.988 1.00 0.00 C ATOM 2037 OXT ALA A 561 104.509 25.230 -2.895 1.00 0.00 O ATOM 0 H ALA A 561 100.522 25.838 -2.196 1.00 0.00 H new ATOM 0 HA ALA A 561 102.083 27.333 -2.693 1.00 0.00 H new ATOM 0 HB1 ALA A 561 104.021 27.480 -1.171 1.00 0.00 H new ATOM 0 HB2 ALA A 561 102.503 27.181 -0.292 1.00 0.00 H new ATOM 0 HB3 ALA A 561 103.653 25.850 -0.560 1.00 0.00 H new TER 2043 ALA A 561