USER MOD reduce.3.24.130724 H: found=0, std=0, add=1026, rem=0, adj=22 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 532 TYR OH : rot 101:sc= -1.11! USER MOD Set 1.2: A 535 LYS NZ :NH3+ -179:sc= 0 (180deg=0) USER MOD Set 2.1: A 445 ASN : amide:sc= 0.496 K(o=-0.16,f=-1.3) USER MOD Set 2.2: A 530 GLN : amide:sc= -1.16 K(o=-0.16,f=-1.5!) USER MOD Set 2.3: A 534 GLN : amide:sc= 0.509 K(o=-0.16,f=-1.5) USER MOD Single : A 437 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 438 HIS : no HD1:sc= 0 X(o=0,f=-0.018) USER MOD Single : A 439 HIS : no HD1:sc= -1.94! K(o=-1.9!,f=-0.87) USER MOD Single : A 440 HIS : no HD1:sc= -0.0538 X(o=-0.054,f=0) USER MOD Single : A 441 HIS : no HD1:sc= 0 X(o=0,f=-0.0019) USER MOD Single : A 442 HIS : no HD1:sc= -1.44 K(o=-1.4,f=-0.21) USER MOD Single : A 443 HIS : no HD1:sc= -0.346 X(o=-0.35,f=-0.12) USER MOD Single : A 444 SER OG : rot 180:sc= 0 USER MOD Single : A 447 THR OG1 : rot 180:sc= 0 USER MOD Single : A 450 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 453 SER OG : rot 59:sc= 0.441 USER MOD Single : A 458 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 461 SER OG : rot -10:sc= -6.68! 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= -0.0161 K(o=-0.016,f=-3!) USER MOD Single : A 474 THR OG1 : rot 50:sc= -1.36 USER MOD Single : A 479 SER OG : rot 180:sc= 0 USER MOD Single : A 483 TYR OH : rot 180:sc= 0 USER MOD Single : A 491 THR OG1 : rot 180:sc= 0 USER MOD Single : A 493 CYS SG : rot -132:sc= -3.88 USER MOD Single : A 494 HIS : no HD1:sc= -5.77! C(o=-5.8!,f=-8.4!) USER MOD Single : A 498 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 499 THR OG1 : rot 180:sc= -0.542 USER MOD Single : A 504 GLN : amide:sc=-0.00783 X(o=-0.0078,f=-0.14) USER MOD Single : A 508 ASN : amide:sc= 0.192 K(o=0.19,f=-0.94) USER MOD Single : A 510 TYR OH : rot 68:sc= 0.107 USER MOD Single : A 511 THR OG1 : rot 180:sc= 0 USER MOD Single : A 514 ASN : amide:sc= -1.62 K(o=-1.6,f=-0.06) USER MOD Single : A 515 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 516 LYS NZ :NH3+ -145:sc= -0.328 (180deg=-0.793) USER MOD Single : A 517 HIS : no HD1:sc= -7.42! C(o=-7.4!,f=-8.6!) USER MOD Single : A 518 CYS SG : rot 42:sc= -0.0465 USER MOD Single : A 520 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0371) USER MOD Single : A 525 SER OG : rot 180:sc= -0.261 USER MOD Single : A 528 HIS : no HD1:sc= -0.365 X(o=-0.37,f=-0.29) USER MOD Single : A 541 GLN : amide:sc= -1.63 K(o=-1.6,f=-6.1!) USER MOD Single : A 543 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 545 ASN : amide:sc= -0.0244 X(o=-0.024,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+ 180:sc= 0 (180deg=0) USER MOD Single : A 554 THR OG1 : rot 180:sc= 0 USER MOD Single : A 556 LYS NZ :NH3+ 156:sc= -0.254 (180deg=-0.76) USER MOD Single : A 559 THR OG1 : rot 180:sc= 0 USER MOD Single : A 560 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 437 104.095 -17.272 -38.582 1.00 0.00 N ATOM 2 CA MET A 437 105.143 -16.218 -38.578 1.00 0.00 C ATOM 3 C MET A 437 105.299 -15.598 -37.193 1.00 0.00 C ATOM 4 O MET A 437 104.895 -16.186 -36.189 1.00 0.00 O ATOM 5 CB MET A 437 104.758 -15.143 -39.594 1.00 0.00 C ATOM 6 CG MET A 437 103.951 -15.676 -40.767 1.00 0.00 C ATOM 7 SD MET A 437 103.950 -14.554 -42.178 1.00 0.00 S ATOM 8 CE MET A 437 102.914 -15.456 -43.326 1.00 0.00 C ATOM 0 HA MET A 437 106.099 -16.666 -38.847 1.00 0.00 H new ATOM 0 HB2 MET A 437 104.181 -14.368 -39.089 1.00 0.00 H new ATOM 0 HB3 MET A 437 105.665 -14.671 -39.972 1.00 0.00 H new ATOM 0 HG2 MET A 437 104.358 -16.639 -41.074 1.00 0.00 H new ATOM 0 HG3 MET A 437 102.924 -15.851 -40.446 1.00 0.00 H new ATOM 0 HE1 MET A 437 102.817 -14.889 -44.252 1.00 0.00 H new ATOM 0 HE2 MET A 437 103.366 -16.425 -43.540 1.00 0.00 H new ATOM 0 HE3 MET A 437 101.928 -15.605 -42.887 1.00 0.00 H new ATOM 20 N HIS A 438 105.891 -14.410 -37.149 1.00 0.00 N ATOM 21 CA HIS A 438 106.106 -13.709 -35.890 1.00 0.00 C ATOM 22 C HIS A 438 107.325 -14.266 -35.163 1.00 0.00 C ATOM 23 O HIS A 438 107.945 -15.229 -35.617 1.00 0.00 O ATOM 24 CB HIS A 438 104.871 -13.824 -34.996 1.00 0.00 C ATOM 25 CG HIS A 438 104.520 -12.548 -34.295 1.00 0.00 C ATOM 26 ND1 HIS A 438 104.066 -11.425 -34.957 1.00 0.00 N ATOM 27 CD2 HIS A 438 104.562 -12.216 -32.983 1.00 0.00 C ATOM 28 CE1 HIS A 438 103.847 -10.459 -34.083 1.00 0.00 C ATOM 29 NE2 HIS A 438 104.138 -10.914 -32.879 1.00 0.00 N ATOM 0 H HIS A 438 106.231 -13.912 -37.972 1.00 0.00 H new ATOM 0 HA HIS A 438 106.284 -12.657 -36.115 1.00 0.00 H new ATOM 0 HB2 HIS A 438 104.022 -14.142 -35.602 1.00 0.00 H new ATOM 0 HB3 HIS A 438 105.042 -14.603 -34.253 1.00 0.00 H new ATOM 0 HD2 HIS A 438 104.871 -12.856 -32.170 1.00 0.00 H new ATOM 0 HE1 HIS A 438 103.491 -9.466 -34.314 1.00 0.00 H new ATOM 0 HE2 HIS A 438 104.060 -10.384 -32.011 1.00 0.00 H new ATOM 38 N HIS A 439 107.665 -13.658 -34.031 1.00 0.00 N ATOM 39 CA HIS A 439 108.809 -14.097 -33.243 1.00 0.00 C ATOM 40 C HIS A 439 108.843 -13.393 -31.891 1.00 0.00 C ATOM 41 O HIS A 439 108.279 -12.312 -31.727 1.00 0.00 O ATOM 42 CB HIS A 439 110.111 -13.836 -34.003 1.00 0.00 C ATOM 43 CG HIS A 439 110.185 -12.478 -34.628 1.00 0.00 C ATOM 44 ND1 HIS A 439 111.330 -11.982 -35.215 1.00 0.00 N ATOM 45 CD2 HIS A 439 109.248 -11.507 -34.759 1.00 0.00 C ATOM 46 CE1 HIS A 439 111.096 -10.769 -35.680 1.00 0.00 C ATOM 47 NE2 HIS A 439 109.839 -10.458 -35.416 1.00 0.00 N ATOM 0 H HIS A 439 107.164 -12.860 -33.640 1.00 0.00 H new ATOM 0 HA HIS A 439 108.708 -15.168 -33.070 1.00 0.00 H new ATOM 0 HB2 HIS A 439 110.951 -13.957 -33.318 1.00 0.00 H new ATOM 0 HB3 HIS A 439 110.224 -14.590 -34.782 1.00 0.00 H new ATOM 0 HD2 HIS A 439 108.227 -11.551 -34.411 1.00 0.00 H new ATOM 0 HE1 HIS A 439 111.810 -10.138 -36.189 1.00 0.00 H new ATOM 0 HE2 HIS A 439 109.382 -9.580 -35.661 1.00 0.00 H new ATOM 56 N HIS A 440 109.508 -14.015 -30.923 1.00 0.00 N ATOM 57 CA HIS A 440 109.613 -13.449 -29.583 1.00 0.00 C ATOM 58 C HIS A 440 108.386 -13.801 -28.749 1.00 0.00 C ATOM 59 O HIS A 440 107.509 -12.964 -28.532 1.00 0.00 O ATOM 60 CB HIS A 440 109.774 -11.929 -29.662 1.00 0.00 C ATOM 61 CG HIS A 440 110.684 -11.367 -28.615 1.00 0.00 C ATOM 62 ND1 HIS A 440 111.416 -10.211 -28.795 1.00 0.00 N ATOM 63 CD2 HIS A 440 110.979 -11.805 -27.369 1.00 0.00 C ATOM 64 CE1 HIS A 440 112.122 -9.964 -27.706 1.00 0.00 C ATOM 65 NE2 HIS A 440 111.874 -10.916 -26.826 1.00 0.00 N ATOM 0 H HIS A 440 109.982 -14.910 -31.041 1.00 0.00 H new ATOM 0 HA HIS A 440 110.492 -13.875 -29.100 1.00 0.00 H new ATOM 0 HB2 HIS A 440 110.159 -11.664 -30.647 1.00 0.00 H new ATOM 0 HB3 HIS A 440 108.793 -11.463 -29.567 1.00 0.00 H new ATOM 0 HD2 HIS A 440 110.584 -12.689 -26.891 1.00 0.00 H new ATOM 0 HE1 HIS A 440 112.788 -9.126 -27.561 1.00 0.00 H new ATOM 0 HE2 HIS A 440 112.281 -10.981 -25.893 1.00 0.00 H new ATOM 74 N HIS A 441 108.326 -15.048 -28.287 1.00 0.00 N ATOM 75 CA HIS A 441 107.202 -15.511 -27.480 1.00 0.00 C ATOM 76 C HIS A 441 107.597 -15.652 -26.013 1.00 0.00 C ATOM 77 O HIS A 441 107.324 -16.673 -25.383 1.00 0.00 O ATOM 78 CB HIS A 441 106.686 -16.851 -28.010 1.00 0.00 C ATOM 79 CG HIS A 441 105.524 -16.718 -28.944 1.00 0.00 C ATOM 80 ND1 HIS A 441 104.293 -17.291 -28.700 1.00 0.00 N ATOM 81 CD2 HIS A 441 105.410 -16.073 -30.129 1.00 0.00 C ATOM 82 CE1 HIS A 441 103.473 -17.003 -29.695 1.00 0.00 C ATOM 83 NE2 HIS A 441 104.125 -16.266 -30.573 1.00 0.00 N ATOM 0 H HIS A 441 109.042 -15.754 -28.458 1.00 0.00 H new ATOM 0 HA HIS A 441 106.409 -14.766 -27.551 1.00 0.00 H new ATOM 0 HB2 HIS A 441 107.498 -17.366 -28.524 1.00 0.00 H new ATOM 0 HB3 HIS A 441 106.394 -17.478 -27.167 1.00 0.00 H new ATOM 0 HD2 HIS A 441 106.184 -15.512 -30.631 1.00 0.00 H new ATOM 0 HE1 HIS A 441 102.443 -17.318 -29.776 1.00 0.00 H new ATOM 0 HE2 HIS A 441 103.737 -15.899 -31.442 1.00 0.00 H new ATOM 92 N HIS A 442 108.238 -14.620 -25.474 1.00 0.00 N ATOM 93 CA HIS A 442 108.665 -14.632 -24.079 1.00 0.00 C ATOM 94 C HIS A 442 107.768 -13.737 -23.229 1.00 0.00 C ATOM 95 O HIS A 442 106.814 -13.144 -23.730 1.00 0.00 O ATOM 96 CB HIS A 442 110.121 -14.174 -23.964 1.00 0.00 C ATOM 97 CG HIS A 442 111.049 -14.877 -24.905 1.00 0.00 C ATOM 98 ND1 HIS A 442 112.380 -14.544 -25.037 1.00 0.00 N ATOM 99 CD2 HIS A 442 110.834 -15.904 -25.763 1.00 0.00 C ATOM 100 CE1 HIS A 442 112.944 -15.332 -25.935 1.00 0.00 C ATOM 101 NE2 HIS A 442 112.028 -16.167 -26.389 1.00 0.00 N ATOM 0 H HIS A 442 108.473 -13.766 -25.981 1.00 0.00 H new ATOM 0 HA HIS A 442 108.584 -15.654 -23.709 1.00 0.00 H new ATOM 0 HB2 HIS A 442 110.171 -13.101 -24.152 1.00 0.00 H new ATOM 0 HB3 HIS A 442 110.464 -14.335 -22.942 1.00 0.00 H new ATOM 0 HD2 HIS A 442 109.899 -16.419 -25.924 1.00 0.00 H new ATOM 0 HE1 HIS A 442 113.978 -15.299 -26.245 1.00 0.00 H new ATOM 0 HE2 HIS A 442 112.182 -16.891 -27.091 1.00 0.00 H new ATOM 110 N HIS A 443 108.081 -13.645 -21.940 1.00 0.00 N ATOM 111 CA HIS A 443 107.302 -12.822 -21.021 1.00 0.00 C ATOM 112 C HIS A 443 107.333 -11.357 -21.444 1.00 0.00 C ATOM 113 O HIS A 443 108.049 -10.984 -22.372 1.00 0.00 O ATOM 114 CB HIS A 443 107.835 -12.967 -19.594 1.00 0.00 C ATOM 115 CG HIS A 443 107.128 -14.018 -18.795 1.00 0.00 C ATOM 116 ND1 HIS A 443 107.665 -14.590 -17.660 1.00 0.00 N ATOM 117 CD2 HIS A 443 105.920 -14.603 -18.973 1.00 0.00 C ATOM 118 CE1 HIS A 443 106.817 -15.480 -17.175 1.00 0.00 C ATOM 119 NE2 HIS A 443 105.752 -15.507 -17.952 1.00 0.00 N ATOM 0 H HIS A 443 108.868 -14.130 -21.509 1.00 0.00 H new ATOM 0 HA HIS A 443 106.269 -13.167 -21.050 1.00 0.00 H new ATOM 0 HB2 HIS A 443 108.898 -13.206 -19.634 1.00 0.00 H new ATOM 0 HB3 HIS A 443 107.743 -12.009 -19.081 1.00 0.00 H new ATOM 0 HD2 HIS A 443 105.219 -14.397 -19.769 1.00 0.00 H new ATOM 0 HE1 HIS A 443 106.970 -16.083 -16.292 1.00 0.00 H new ATOM 0 HE2 HIS A 443 104.935 -16.103 -17.817 1.00 0.00 H new ATOM 128 N SER A 444 106.549 -10.531 -20.759 1.00 0.00 N ATOM 129 CA SER A 444 106.488 -9.107 -21.067 1.00 0.00 C ATOM 130 C SER A 444 107.004 -8.273 -19.898 1.00 0.00 C ATOM 131 O SER A 444 108.038 -7.614 -20.003 1.00 0.00 O ATOM 132 CB SER A 444 105.052 -8.697 -21.404 1.00 0.00 C ATOM 133 OG SER A 444 104.218 -9.833 -21.552 1.00 0.00 O ATOM 0 H SER A 444 105.948 -10.823 -19.988 1.00 0.00 H new ATOM 0 HA SER A 444 107.125 -8.922 -21.932 1.00 0.00 H new ATOM 0 HB2 SER A 444 104.660 -8.054 -20.616 1.00 0.00 H new ATOM 0 HB3 SER A 444 105.044 -8.114 -22.325 1.00 0.00 H new ATOM 0 HG SER A 444 103.306 -9.544 -21.765 1.00 0.00 H new ATOM 139 N ASN A 445 106.277 -8.304 -18.786 1.00 0.00 N ATOM 140 CA ASN A 445 106.661 -7.548 -17.598 1.00 0.00 C ATOM 141 C ASN A 445 108.146 -7.722 -17.296 1.00 0.00 C ATOM 142 O ASN A 445 108.786 -8.651 -17.788 1.00 0.00 O ATOM 143 CB ASN A 445 105.826 -7.991 -16.395 1.00 0.00 C ATOM 144 CG ASN A 445 104.382 -7.545 -16.503 1.00 0.00 C ATOM 145 OD1 ASN A 445 103.571 -8.183 -17.176 1.00 0.00 O ATOM 146 ND2 ASN A 445 104.051 -6.443 -15.840 1.00 0.00 N ATOM 0 H ASN A 445 105.418 -8.845 -18.682 1.00 0.00 H new ATOM 0 HA ASN A 445 106.472 -6.492 -17.793 1.00 0.00 H new ATOM 0 HB2 ASN A 445 105.863 -9.077 -16.310 1.00 0.00 H new ATOM 0 HB3 ASN A 445 106.263 -7.584 -15.483 1.00 0.00 H new ATOM 0 HD21 ASN A 445 103.093 -6.094 -15.876 1.00 0.00 H new ATOM 0 HD22 ASN A 445 104.755 -5.945 -15.294 1.00 0.00 H new ATOM 153 N ALA A 446 108.689 -6.821 -16.482 1.00 0.00 N ATOM 154 CA ALA A 446 110.098 -6.873 -16.112 1.00 0.00 C ATOM 155 C ALA A 446 110.354 -6.097 -14.824 1.00 0.00 C ATOM 156 O ALA A 446 109.467 -5.965 -13.981 1.00 0.00 O ATOM 157 CB ALA A 446 110.973 -6.336 -17.235 1.00 0.00 C ATOM 0 H ALA A 446 108.173 -6.046 -16.066 1.00 0.00 H new ATOM 0 HA ALA A 446 110.358 -7.917 -15.940 1.00 0.00 H new ATOM 0 HB1 ALA A 446 112.020 -6.385 -16.936 1.00 0.00 H new ATOM 0 HB2 ALA A 446 110.824 -6.937 -18.132 1.00 0.00 H new ATOM 0 HB3 ALA A 446 110.703 -5.301 -17.443 1.00 0.00 H new ATOM 163 N THR A 447 111.574 -5.588 -14.673 1.00 0.00 N ATOM 164 CA THR A 447 111.942 -4.831 -13.483 1.00 0.00 C ATOM 165 C THR A 447 112.590 -3.500 -13.850 1.00 0.00 C ATOM 166 O THR A 447 113.324 -3.405 -14.833 1.00 0.00 O ATOM 167 CB THR A 447 112.909 -5.630 -12.589 1.00 0.00 C ATOM 168 OG1 THR A 447 114.029 -6.119 -13.339 1.00 0.00 O ATOM 169 CG2 THR A 447 112.201 -6.815 -11.949 1.00 0.00 C ATOM 0 H THR A 447 112.322 -5.686 -15.359 1.00 0.00 H new ATOM 0 HA THR A 447 111.020 -4.640 -12.934 1.00 0.00 H new ATOM 0 HB THR A 447 113.263 -4.949 -11.815 1.00 0.00 H new ATOM 0 HG1 THR A 447 114.626 -6.620 -12.746 1.00 0.00 H new ATOM 0 HG21 THR A 447 112.904 -7.364 -11.322 1.00 0.00 H new ATOM 0 HG22 THR A 447 111.373 -6.457 -11.337 1.00 0.00 H new ATOM 0 HG23 THR A 447 111.818 -7.474 -12.728 1.00 0.00 H new ATOM 177 N GLY A 448 112.314 -2.474 -13.049 1.00 0.00 N ATOM 178 CA GLY A 448 112.879 -1.161 -13.303 1.00 0.00 C ATOM 179 C GLY A 448 114.261 -0.999 -12.700 1.00 0.00 C ATOM 180 O GLY A 448 115.064 -1.931 -12.721 1.00 0.00 O ATOM 0 H GLY A 448 111.710 -2.529 -12.229 1.00 0.00 H new ATOM 0 HA2 GLY A 448 112.933 -0.994 -14.379 1.00 0.00 H new ATOM 0 HA3 GLY A 448 112.216 -0.398 -12.895 1.00 0.00 H new ATOM 184 N PRO A 449 114.569 0.187 -12.154 1.00 0.00 N ATOM 185 CA PRO A 449 115.865 0.470 -11.545 1.00 0.00 C ATOM 186 C PRO A 449 115.918 0.073 -10.071 1.00 0.00 C ATOM 187 O PRO A 449 115.824 0.924 -9.187 1.00 0.00 O ATOM 188 CB PRO A 449 115.974 1.983 -11.700 1.00 0.00 C ATOM 189 CG PRO A 449 114.565 2.477 -11.610 1.00 0.00 C ATOM 190 CD PRO A 449 113.672 1.355 -12.091 1.00 0.00 C ATOM 0 HA PRO A 449 116.677 -0.090 -12.009 1.00 0.00 H new ATOM 0 HB2 PRO A 449 116.596 2.417 -10.918 1.00 0.00 H new ATOM 0 HB3 PRO A 449 116.428 2.252 -12.654 1.00 0.00 H new ATOM 0 HG2 PRO A 449 114.318 2.754 -10.585 1.00 0.00 H new ATOM 0 HG3 PRO A 449 114.429 3.368 -12.223 1.00 0.00 H new ATOM 0 HD2 PRO A 449 112.842 1.184 -11.406 1.00 0.00 H new ATOM 0 HD3 PRO A 449 113.240 1.579 -13.066 1.00 0.00 H new ATOM 198 N GLN A 450 116.071 -1.222 -9.815 1.00 0.00 N ATOM 199 CA GLN A 450 116.136 -1.731 -8.447 1.00 0.00 C ATOM 200 C GLN A 450 115.129 -1.014 -7.551 1.00 0.00 C ATOM 201 O GLN A 450 115.461 -0.577 -6.449 1.00 0.00 O ATOM 202 CB GLN A 450 117.548 -1.561 -7.883 1.00 0.00 C ATOM 203 CG GLN A 450 118.139 -2.848 -7.329 1.00 0.00 C ATOM 204 CD GLN A 450 118.548 -3.819 -8.420 1.00 0.00 C ATOM 205 OE1 GLN A 450 117.819 -4.760 -8.735 1.00 0.00 O ATOM 206 NE2 GLN A 450 119.719 -3.594 -9.004 1.00 0.00 N ATOM 0 H GLN A 450 116.152 -1.939 -10.536 1.00 0.00 H new ATOM 0 HA GLN A 450 115.886 -2.792 -8.469 1.00 0.00 H new ATOM 0 HB2 GLN A 450 118.201 -1.179 -8.668 1.00 0.00 H new ATOM 0 HB3 GLN A 450 117.527 -0.810 -7.093 1.00 0.00 H new ATOM 0 HG2 GLN A 450 119.008 -2.610 -6.715 1.00 0.00 H new ATOM 0 HG3 GLN A 450 117.409 -3.327 -6.676 1.00 0.00 H new ATOM 0 HE21 GLN A 450 120.291 -2.802 -8.711 1.00 0.00 H new ATOM 0 HE22 GLN A 450 120.047 -4.213 -9.745 1.00 0.00 H new ATOM 215 N PHE A 451 113.897 -0.897 -8.035 1.00 0.00 N ATOM 216 CA PHE A 451 112.834 -0.233 -7.286 1.00 0.00 C ATOM 217 C PHE A 451 112.743 -0.766 -5.859 1.00 0.00 C ATOM 218 O PHE A 451 112.524 -1.959 -5.644 1.00 0.00 O ATOM 219 CB PHE A 451 111.492 -0.429 -7.992 1.00 0.00 C ATOM 220 CG PHE A 451 110.854 -1.757 -7.699 1.00 0.00 C ATOM 221 CD1 PHE A 451 110.116 -1.946 -6.541 1.00 0.00 C ATOM 222 CD2 PHE A 451 110.994 -2.818 -8.579 1.00 0.00 C ATOM 223 CE1 PHE A 451 109.531 -3.167 -6.267 1.00 0.00 C ATOM 224 CE2 PHE A 451 110.410 -4.042 -8.311 1.00 0.00 C ATOM 225 CZ PHE A 451 109.678 -4.217 -7.152 1.00 0.00 C ATOM 0 H PHE A 451 113.608 -1.254 -8.946 1.00 0.00 H new ATOM 0 HA PHE A 451 113.073 0.830 -7.241 1.00 0.00 H new ATOM 0 HB2 PHE A 451 110.811 0.367 -7.691 1.00 0.00 H new ATOM 0 HB3 PHE A 451 111.638 -0.334 -9.068 1.00 0.00 H new ATOM 0 HD1 PHE A 451 109.997 -1.129 -5.845 1.00 0.00 H new ATOM 0 HD2 PHE A 451 111.566 -2.687 -9.485 1.00 0.00 H new ATOM 0 HE1 PHE A 451 108.959 -3.300 -5.361 1.00 0.00 H new ATOM 0 HE2 PHE A 451 110.526 -4.860 -9.006 1.00 0.00 H new ATOM 0 HZ PHE A 451 109.222 -5.173 -6.939 1.00 0.00 H new ATOM 235 N VAL A 452 112.894 0.126 -4.884 1.00 0.00 N ATOM 236 CA VAL A 452 112.808 -0.260 -3.481 1.00 0.00 C ATOM 237 C VAL A 452 111.381 -0.666 -3.139 1.00 0.00 C ATOM 238 O VAL A 452 110.470 0.160 -3.170 1.00 0.00 O ATOM 239 CB VAL A 452 113.241 0.888 -2.549 1.00 0.00 C ATOM 240 CG1 VAL A 452 113.583 0.355 -1.167 1.00 0.00 C ATOM 241 CG2 VAL A 452 114.417 1.644 -3.146 1.00 0.00 C ATOM 0 H VAL A 452 113.076 1.117 -5.040 1.00 0.00 H new ATOM 0 HA VAL A 452 113.484 -1.102 -3.330 1.00 0.00 H new ATOM 0 HB VAL A 452 112.408 1.583 -2.446 1.00 0.00 H new ATOM 0 HG11 VAL A 452 113.886 1.181 -0.523 1.00 0.00 H new ATOM 0 HG12 VAL A 452 112.709 -0.136 -0.740 1.00 0.00 H new ATOM 0 HG13 VAL A 452 114.400 -0.363 -1.246 1.00 0.00 H new ATOM 0 HG21 VAL A 452 114.709 2.451 -2.474 1.00 0.00 H new ATOM 0 HG22 VAL A 452 115.257 0.962 -3.281 1.00 0.00 H new ATOM 0 HG23 VAL A 452 114.129 2.061 -4.111 1.00 0.00 H new ATOM 251 N SER A 453 111.185 -1.945 -2.835 1.00 0.00 N ATOM 252 CA SER A 453 109.854 -2.454 -2.515 1.00 0.00 C ATOM 253 C SER A 453 109.344 -1.995 -1.142 1.00 0.00 C ATOM 254 O SER A 453 108.375 -2.558 -0.632 1.00 0.00 O ATOM 255 CB SER A 453 109.857 -3.981 -2.574 1.00 0.00 C ATOM 256 OG SER A 453 109.773 -4.542 -1.275 1.00 0.00 O ATOM 0 H SER A 453 111.926 -2.645 -2.803 1.00 0.00 H new ATOM 0 HA SER A 453 109.174 -2.042 -3.261 1.00 0.00 H new ATOM 0 HB2 SER A 453 109.018 -4.326 -3.178 1.00 0.00 H new ATOM 0 HB3 SER A 453 110.766 -4.327 -3.065 1.00 0.00 H new ATOM 0 HG SER A 453 108.950 -4.237 -0.840 1.00 0.00 H new ATOM 262 N GLY A 454 109.969 -0.967 -0.559 1.00 0.00 N ATOM 263 CA GLY A 454 109.536 -0.457 0.737 1.00 0.00 C ATOM 264 C GLY A 454 108.906 -1.513 1.632 1.00 0.00 C ATOM 265 O GLY A 454 108.014 -1.208 2.423 1.00 0.00 O ATOM 0 H GLY A 454 110.768 -0.479 -0.963 1.00 0.00 H new ATOM 0 HA2 GLY A 454 110.393 -0.023 1.251 1.00 0.00 H new ATOM 0 HA3 GLY A 454 108.818 0.348 0.579 1.00 0.00 H new ATOM 269 N VAL A 455 109.357 -2.757 1.504 1.00 0.00 N ATOM 270 CA VAL A 455 108.820 -3.855 2.300 1.00 0.00 C ATOM 271 C VAL A 455 107.303 -3.745 2.440 1.00 0.00 C ATOM 272 O VAL A 455 106.798 -3.072 3.338 1.00 0.00 O ATOM 273 CB VAL A 455 109.451 -3.897 3.703 1.00 0.00 C ATOM 274 CG1 VAL A 455 109.528 -5.329 4.210 1.00 0.00 C ATOM 275 CG2 VAL A 455 110.829 -3.252 3.691 1.00 0.00 C ATOM 0 H VAL A 455 110.095 -3.030 0.855 1.00 0.00 H new ATOM 0 HA VAL A 455 109.068 -4.776 1.772 1.00 0.00 H new ATOM 0 HB VAL A 455 108.817 -3.328 4.383 1.00 0.00 H new ATOM 0 HG11 VAL A 455 109.977 -5.340 5.203 1.00 0.00 H new ATOM 0 HG12 VAL A 455 108.524 -5.751 4.261 1.00 0.00 H new ATOM 0 HG13 VAL A 455 110.138 -5.923 3.530 1.00 0.00 H new ATOM 0 HG21 VAL A 455 111.258 -3.292 4.692 1.00 0.00 H new ATOM 0 HG22 VAL A 455 111.476 -3.789 2.997 1.00 0.00 H new ATOM 0 HG23 VAL A 455 110.741 -2.213 3.375 1.00 0.00 H new ATOM 285 N ILE A 456 106.583 -4.415 1.544 1.00 0.00 N ATOM 286 CA ILE A 456 105.123 -4.399 1.561 1.00 0.00 C ATOM 287 C ILE A 456 104.576 -5.327 2.640 1.00 0.00 C ATOM 288 O ILE A 456 104.911 -6.510 2.682 1.00 0.00 O ATOM 289 CB ILE A 456 104.538 -4.820 0.200 1.00 0.00 C ATOM 290 CG1 ILE A 456 105.029 -3.883 -0.904 1.00 0.00 C ATOM 291 CG2 ILE A 456 103.016 -4.828 0.258 1.00 0.00 C ATOM 292 CD1 ILE A 456 104.978 -2.419 -0.524 1.00 0.00 C ATOM 0 H ILE A 456 106.988 -4.977 0.795 1.00 0.00 H new ATOM 0 HA ILE A 456 104.823 -3.374 1.777 1.00 0.00 H new ATOM 0 HB ILE A 456 104.880 -5.829 -0.029 1.00 0.00 H new ATOM 0 HG12 ILE A 456 106.054 -4.147 -1.163 1.00 0.00 H new ATOM 0 HG13 ILE A 456 104.424 -4.039 -1.797 1.00 0.00 H new ATOM 0 HG21 ILE A 456 102.617 -5.127 -0.711 1.00 0.00 H new ATOM 0 HG22 ILE A 456 102.685 -5.533 1.021 1.00 0.00 H new ATOM 0 HG23 ILE A 456 102.656 -3.829 0.506 1.00 0.00 H new ATOM 0 HD11 ILE A 456 105.341 -1.814 -1.355 1.00 0.00 H new ATOM 0 HD12 ILE A 456 103.950 -2.139 -0.293 1.00 0.00 H new ATOM 0 HD13 ILE A 456 105.606 -2.248 0.350 1.00 0.00 H new ATOM 304 N VAL A 457 103.712 -4.791 3.498 1.00 0.00 N ATOM 305 CA VAL A 457 103.097 -5.581 4.558 1.00 0.00 C ATOM 306 C VAL A 457 101.597 -5.729 4.309 1.00 0.00 C ATOM 307 O VAL A 457 100.835 -4.781 4.499 1.00 0.00 O ATOM 308 CB VAL A 457 103.333 -4.948 5.946 1.00 0.00 C ATOM 309 CG1 VAL A 457 102.363 -5.515 6.975 1.00 0.00 C ATOM 310 CG2 VAL A 457 104.771 -5.170 6.390 1.00 0.00 C ATOM 0 H VAL A 457 103.423 -3.813 3.479 1.00 0.00 H new ATOM 0 HA VAL A 457 103.566 -6.565 4.547 1.00 0.00 H new ATOM 0 HB VAL A 457 103.153 -3.876 5.867 1.00 0.00 H new ATOM 0 HG11 VAL A 457 102.550 -5.053 7.944 1.00 0.00 H new ATOM 0 HG12 VAL A 457 101.339 -5.305 6.664 1.00 0.00 H new ATOM 0 HG13 VAL A 457 102.505 -6.593 7.053 1.00 0.00 H new ATOM 0 HG21 VAL A 457 104.923 -4.718 7.370 1.00 0.00 H new ATOM 0 HG22 VAL A 457 104.973 -6.240 6.448 1.00 0.00 H new ATOM 0 HG23 VAL A 457 105.449 -4.711 5.670 1.00 0.00 H new ATOM 320 N LYS A 458 101.178 -6.916 3.879 1.00 0.00 N ATOM 321 CA LYS A 458 99.766 -7.168 3.603 1.00 0.00 C ATOM 322 C LYS A 458 98.985 -7.407 4.890 1.00 0.00 C ATOM 323 O LYS A 458 99.273 -8.341 5.640 1.00 0.00 O ATOM 324 CB LYS A 458 99.602 -8.370 2.670 1.00 0.00 C ATOM 325 CG LYS A 458 98.158 -8.825 2.523 1.00 0.00 C ATOM 326 CD LYS A 458 98.055 -10.117 1.728 1.00 0.00 C ATOM 327 CE LYS A 458 96.650 -10.330 1.188 1.00 0.00 C ATOM 328 NZ LYS A 458 96.155 -11.709 1.456 1.00 0.00 N ATOM 0 H LYS A 458 101.791 -7.714 3.715 1.00 0.00 H new ATOM 0 HA LYS A 458 99.365 -6.280 3.114 1.00 0.00 H new ATOM 0 HB2 LYS A 458 99.997 -8.114 1.687 1.00 0.00 H new ATOM 0 HB3 LYS A 458 100.200 -9.199 3.048 1.00 0.00 H new ATOM 0 HG2 LYS A 458 97.719 -8.969 3.510 1.00 0.00 H new ATOM 0 HG3 LYS A 458 97.579 -8.045 2.028 1.00 0.00 H new ATOM 0 HD2 LYS A 458 98.764 -10.093 0.900 1.00 0.00 H new ATOM 0 HD3 LYS A 458 98.333 -10.959 2.362 1.00 0.00 H new ATOM 0 HE2 LYS A 458 95.973 -9.607 1.642 1.00 0.00 H new ATOM 0 HE3 LYS A 458 96.642 -10.144 0.114 1.00 0.00 H new ATOM 0 HZ1 LYS A 458 95.194 -11.814 1.072 1.00 0.00 H new ATOM 0 HZ2 LYS A 458 96.786 -12.399 1.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 458 96.138 -11.879 2.482 1.00 0.00 H new ATOM 342 N ILE A 459 97.982 -6.571 5.126 1.00 0.00 N ATOM 343 CA ILE A 459 97.137 -6.702 6.305 1.00 0.00 C ATOM 344 C ILE A 459 95.717 -7.085 5.915 1.00 0.00 C ATOM 345 O ILE A 459 95.060 -6.377 5.153 1.00 0.00 O ATOM 346 CB ILE A 459 97.093 -5.409 7.138 1.00 0.00 C ATOM 347 CG1 ILE A 459 98.466 -4.734 7.148 1.00 0.00 C ATOM 348 CG2 ILE A 459 96.630 -5.717 8.558 1.00 0.00 C ATOM 349 CD1 ILE A 459 98.676 -3.806 8.326 1.00 0.00 C ATOM 0 H ILE A 459 97.734 -5.793 4.515 1.00 0.00 H new ATOM 0 HA ILE A 459 97.580 -7.490 6.914 1.00 0.00 H new ATOM 0 HB ILE A 459 96.380 -4.721 6.684 1.00 0.00 H new ATOM 0 HG12 ILE A 459 99.239 -5.502 7.159 1.00 0.00 H new ATOM 0 HG13 ILE A 459 98.591 -4.169 6.224 1.00 0.00 H new ATOM 0 HG21 ILE A 459 96.602 -4.796 9.140 1.00 0.00 H new ATOM 0 HG22 ILE A 459 95.633 -6.158 8.528 1.00 0.00 H new ATOM 0 HG23 ILE A 459 97.323 -6.418 9.023 1.00 0.00 H new ATOM 0 HD11 ILE A 459 99.670 -3.363 8.268 1.00 0.00 H new ATOM 0 HD12 ILE A 459 97.925 -3.016 8.305 1.00 0.00 H new ATOM 0 HD13 ILE A 459 98.584 -4.370 9.254 1.00 0.00 H new ATOM 361 N ILE A 460 95.239 -8.194 6.457 1.00 0.00 N ATOM 362 CA ILE A 460 93.885 -8.650 6.179 1.00 0.00 C ATOM 363 C ILE A 460 93.165 -9.017 7.471 1.00 0.00 C ATOM 364 O ILE A 460 93.720 -9.698 8.331 1.00 0.00 O ATOM 365 CB ILE A 460 93.866 -9.852 5.211 1.00 0.00 C ATOM 366 CG1 ILE A 460 92.442 -10.113 4.717 1.00 0.00 C ATOM 367 CG2 ILE A 460 94.433 -11.093 5.876 1.00 0.00 C ATOM 368 CD1 ILE A 460 91.698 -8.857 4.318 1.00 0.00 C ATOM 0 H ILE A 460 95.767 -8.794 7.091 1.00 0.00 H new ATOM 0 HA ILE A 460 93.363 -7.823 5.697 1.00 0.00 H new ATOM 0 HB ILE A 460 94.495 -9.610 4.354 1.00 0.00 H new ATOM 0 HG12 ILE A 460 92.481 -10.789 3.863 1.00 0.00 H new ATOM 0 HG13 ILE A 460 91.882 -10.623 5.501 1.00 0.00 H new ATOM 0 HG21 ILE A 460 94.408 -11.926 5.173 1.00 0.00 H new ATOM 0 HG22 ILE A 460 95.463 -10.905 6.180 1.00 0.00 H new ATOM 0 HG23 ILE A 460 93.835 -11.341 6.753 1.00 0.00 H new ATOM 0 HD11 ILE A 460 90.696 -9.120 3.978 1.00 0.00 H new ATOM 0 HD12 ILE A 460 91.627 -8.188 5.176 1.00 0.00 H new ATOM 0 HD13 ILE A 460 92.235 -8.357 3.512 1.00 0.00 H new ATOM 380 N SER A 461 91.930 -8.558 7.607 1.00 0.00 N ATOM 381 CA SER A 461 91.142 -8.844 8.798 1.00 0.00 C ATOM 382 C SER A 461 89.875 -9.597 8.422 1.00 0.00 C ATOM 383 O SER A 461 89.748 -10.103 7.307 1.00 0.00 O ATOM 384 CB SER A 461 90.783 -7.551 9.531 1.00 0.00 C ATOM 385 OG SER A 461 89.912 -6.750 8.755 1.00 0.00 O ATOM 0 H SER A 461 91.452 -7.987 6.910 1.00 0.00 H new ATOM 0 HA SER A 461 91.741 -9.466 9.464 1.00 0.00 H new ATOM 0 HB2 SER A 461 90.311 -7.789 10.484 1.00 0.00 H new ATOM 0 HB3 SER A 461 91.692 -6.993 9.756 1.00 0.00 H new ATOM 0 HG SER A 461 89.851 -7.117 7.848 1.00 0.00 H new ATOM 391 N THR A 462 88.940 -9.667 9.356 1.00 0.00 N ATOM 392 CA THR A 462 87.680 -10.357 9.119 1.00 0.00 C ATOM 393 C THR A 462 86.498 -9.413 9.290 1.00 0.00 C ATOM 394 O THR A 462 85.344 -9.830 9.185 1.00 0.00 O ATOM 395 CB THR A 462 87.508 -11.555 10.072 1.00 0.00 C ATOM 396 OG1 THR A 462 87.389 -11.124 11.434 1.00 0.00 O ATOM 397 CG2 THR A 462 88.690 -12.506 9.966 1.00 0.00 C ATOM 0 H THR A 462 89.029 -9.255 10.285 1.00 0.00 H new ATOM 0 HA THR A 462 87.706 -10.721 8.092 1.00 0.00 H new ATOM 0 HB THR A 462 86.594 -12.069 9.775 1.00 0.00 H new ATOM 0 HG1 THR A 462 87.279 -11.905 12.016 1.00 0.00 H new ATOM 0 HG21 THR A 462 88.545 -13.344 10.648 1.00 0.00 H new ATOM 0 HG22 THR A 462 88.766 -12.879 8.945 1.00 0.00 H new ATOM 0 HG23 THR A 462 89.607 -11.978 10.229 1.00 0.00 H new ATOM 405 N GLU A 463 86.796 -8.141 9.555 1.00 0.00 N ATOM 406 CA GLU A 463 85.764 -7.127 9.748 1.00 0.00 C ATOM 407 C GLU A 463 86.271 -6.002 10.649 1.00 0.00 C ATOM 408 O GLU A 463 86.050 -4.823 10.371 1.00 0.00 O ATOM 409 CB GLU A 463 84.508 -7.752 10.361 1.00 0.00 C ATOM 410 CG GLU A 463 83.610 -6.747 11.061 1.00 0.00 C ATOM 411 CD GLU A 463 82.138 -6.992 10.791 1.00 0.00 C ATOM 412 OE1 GLU A 463 81.731 -8.171 10.749 1.00 0.00 O ATOM 413 OE2 GLU A 463 81.394 -6.004 10.622 1.00 0.00 O ATOM 0 H GLU A 463 87.749 -7.789 9.641 1.00 0.00 H new ATOM 0 HA GLU A 463 85.515 -6.710 8.772 1.00 0.00 H new ATOM 0 HB2 GLU A 463 83.939 -8.250 9.576 1.00 0.00 H new ATOM 0 HB3 GLU A 463 84.806 -8.520 11.075 1.00 0.00 H new ATOM 0 HG2 GLU A 463 83.791 -6.790 12.135 1.00 0.00 H new ATOM 0 HG3 GLU A 463 83.873 -5.741 10.734 1.00 0.00 H new ATOM 420 N PRO A 464 86.951 -6.359 11.750 1.00 0.00 N ATOM 421 CA PRO A 464 87.485 -5.387 12.708 1.00 0.00 C ATOM 422 C PRO A 464 88.167 -4.198 12.037 1.00 0.00 C ATOM 423 O PRO A 464 88.088 -3.072 12.529 1.00 0.00 O ATOM 424 CB PRO A 464 88.498 -6.211 13.500 1.00 0.00 C ATOM 425 CG PRO A 464 87.941 -7.594 13.483 1.00 0.00 C ATOM 426 CD PRO A 464 87.248 -7.748 12.154 1.00 0.00 C ATOM 0 HA PRO A 464 86.698 -4.940 13.315 1.00 0.00 H new ATOM 0 HB2 PRO A 464 89.486 -6.174 13.041 1.00 0.00 H new ATOM 0 HB3 PRO A 464 88.605 -5.838 14.518 1.00 0.00 H new ATOM 0 HG2 PRO A 464 88.732 -8.335 13.598 1.00 0.00 H new ATOM 0 HG3 PRO A 464 87.243 -7.743 14.306 1.00 0.00 H new ATOM 0 HD2 PRO A 464 87.886 -8.249 11.426 1.00 0.00 H new ATOM 0 HD3 PRO A 464 86.338 -8.342 12.243 1.00 0.00 H new ATOM 434 N LEU A 465 88.841 -4.448 10.917 1.00 0.00 N ATOM 435 CA LEU A 465 89.532 -3.382 10.196 1.00 0.00 C ATOM 436 C LEU A 465 88.731 -2.086 10.247 1.00 0.00 C ATOM 437 O LEU A 465 87.794 -1.886 9.474 1.00 0.00 O ATOM 438 CB LEU A 465 89.784 -3.788 8.742 1.00 0.00 C ATOM 439 CG LEU A 465 91.260 -3.888 8.350 1.00 0.00 C ATOM 440 CD1 LEU A 465 91.497 -5.096 7.455 1.00 0.00 C ATOM 441 CD2 LEU A 465 91.712 -2.611 7.657 1.00 0.00 C ATOM 0 H LEU A 465 88.923 -5.371 10.492 1.00 0.00 H new ATOM 0 HA LEU A 465 90.493 -3.215 10.683 1.00 0.00 H new ATOM 0 HB2 LEU A 465 89.308 -4.752 8.561 1.00 0.00 H new ATOM 0 HB3 LEU A 465 89.297 -3.065 8.088 1.00 0.00 H new ATOM 0 HG LEU A 465 91.850 -4.016 9.258 1.00 0.00 H new ATOM 0 HD11 LEU A 465 92.552 -5.149 7.187 1.00 0.00 H new ATOM 0 HD12 LEU A 465 91.211 -6.004 7.986 1.00 0.00 H new ATOM 0 HD13 LEU A 465 90.898 -5.001 6.550 1.00 0.00 H new ATOM 0 HD21 LEU A 465 92.764 -2.698 7.384 1.00 0.00 H new ATOM 0 HD22 LEU A 465 91.116 -2.454 6.758 1.00 0.00 H new ATOM 0 HD23 LEU A 465 91.581 -1.765 8.331 1.00 0.00 H new ATOM 453 N PRO A 466 89.092 -1.192 11.178 1.00 0.00 N ATOM 454 CA PRO A 466 88.413 0.098 11.360 1.00 0.00 C ATOM 455 C PRO A 466 88.646 1.062 10.201 1.00 0.00 C ATOM 456 O PRO A 466 87.747 1.807 9.812 1.00 0.00 O ATOM 457 CB PRO A 466 89.047 0.649 12.639 1.00 0.00 C ATOM 458 CG PRO A 466 90.385 -0.001 12.702 1.00 0.00 C ATOM 459 CD PRO A 466 90.195 -1.377 12.135 1.00 0.00 C ATOM 0 HA PRO A 466 87.331 -0.022 11.410 1.00 0.00 H new ATOM 0 HB2 PRO A 466 89.135 1.735 12.603 1.00 0.00 H new ATOM 0 HB3 PRO A 466 88.446 0.407 13.516 1.00 0.00 H new ATOM 0 HG2 PRO A 466 91.121 0.561 12.127 1.00 0.00 H new ATOM 0 HG3 PRO A 466 90.750 -0.047 13.728 1.00 0.00 H new ATOM 0 HD2 PRO A 466 91.098 -1.739 11.644 1.00 0.00 H new ATOM 0 HD3 PRO A 466 89.940 -2.101 12.909 1.00 0.00 H new ATOM 467 N GLY A 467 89.858 1.047 9.656 1.00 0.00 N ATOM 468 CA GLY A 467 90.180 1.931 8.550 1.00 0.00 C ATOM 469 C GLY A 467 91.665 2.216 8.441 1.00 0.00 C ATOM 470 O GLY A 467 92.463 1.701 9.223 1.00 0.00 O ATOM 0 H GLY A 467 90.621 0.441 9.959 1.00 0.00 H new ATOM 0 HA2 GLY A 467 89.831 1.484 7.619 1.00 0.00 H new ATOM 0 HA3 GLY A 467 89.642 2.871 8.673 1.00 0.00 H new ATOM 474 N ARG A 468 92.033 3.042 7.466 1.00 0.00 N ATOM 475 CA ARG A 468 93.429 3.405 7.247 1.00 0.00 C ATOM 476 C ARG A 468 94.012 4.137 8.453 1.00 0.00 C ATOM 477 O ARG A 468 95.154 3.897 8.844 1.00 0.00 O ATOM 478 CB ARG A 468 93.548 4.292 6.006 1.00 0.00 C ATOM 479 CG ARG A 468 93.086 5.721 6.239 1.00 0.00 C ATOM 480 CD ARG A 468 93.253 6.576 4.992 1.00 0.00 C ATOM 481 NE ARG A 468 94.553 7.245 4.955 1.00 0.00 N ATOM 482 CZ ARG A 468 94.757 8.446 4.415 1.00 0.00 C ATOM 483 NH1 ARG A 468 93.753 9.117 3.864 1.00 0.00 N ATOM 484 NH2 ARG A 468 95.973 8.978 4.424 1.00 0.00 N ATOM 0 H ARG A 468 91.380 3.474 6.812 1.00 0.00 H new ATOM 0 HA ARG A 468 93.994 2.484 7.100 1.00 0.00 H new ATOM 0 HB2 ARG A 468 94.586 4.303 5.675 1.00 0.00 H new ATOM 0 HB3 ARG A 468 92.960 3.855 5.199 1.00 0.00 H new ATOM 0 HG2 ARG A 468 92.039 5.720 6.542 1.00 0.00 H new ATOM 0 HG3 ARG A 468 93.655 6.158 7.059 1.00 0.00 H new ATOM 0 HD2 ARG A 468 93.142 5.950 4.106 1.00 0.00 H new ATOM 0 HD3 ARG A 468 92.460 7.323 4.956 1.00 0.00 H new ATOM 0 HE ARG A 468 95.352 6.763 5.367 1.00 0.00 H new ATOM 0 HH11 ARG A 468 92.816 8.714 3.852 1.00 0.00 H new ATOM 0 HH12 ARG A 468 93.918 10.036 3.453 1.00 0.00 H new ATOM 0 HH21 ARG A 468 96.750 8.468 4.844 1.00 0.00 H new ATOM 0 HH22 ARG A 468 96.131 9.897 4.011 1.00 0.00 H new ATOM 498 N LYS A 469 93.227 5.045 9.025 1.00 0.00 N ATOM 499 CA LYS A 469 93.671 5.830 10.173 1.00 0.00 C ATOM 500 C LYS A 469 93.973 4.947 11.379 1.00 0.00 C ATOM 501 O LYS A 469 94.990 5.123 12.051 1.00 0.00 O ATOM 502 CB LYS A 469 92.607 6.864 10.545 1.00 0.00 C ATOM 503 CG LYS A 469 91.282 6.249 10.967 1.00 0.00 C ATOM 504 CD LYS A 469 90.108 7.134 10.587 1.00 0.00 C ATOM 505 CE LYS A 469 88.810 6.627 11.196 1.00 0.00 C ATOM 506 NZ LYS A 469 88.419 7.406 12.404 1.00 0.00 N ATOM 0 H LYS A 469 92.279 5.256 8.712 1.00 0.00 H new ATOM 0 HA LYS A 469 94.593 6.337 9.888 1.00 0.00 H new ATOM 0 HB2 LYS A 469 92.985 7.486 11.357 1.00 0.00 H new ATOM 0 HB3 LYS A 469 92.438 7.522 9.692 1.00 0.00 H new ATOM 0 HG2 LYS A 469 91.168 5.272 10.498 1.00 0.00 H new ATOM 0 HG3 LYS A 469 91.282 6.087 12.045 1.00 0.00 H new ATOM 0 HD2 LYS A 469 90.295 8.154 10.923 1.00 0.00 H new ATOM 0 HD3 LYS A 469 90.013 7.169 9.502 1.00 0.00 H new ATOM 0 HE2 LYS A 469 88.014 6.685 10.454 1.00 0.00 H new ATOM 0 HE3 LYS A 469 88.921 5.576 11.463 1.00 0.00 H new ATOM 0 HZ1 LYS A 469 87.529 7.028 12.788 1.00 0.00 H new ATOM 0 HZ2 LYS A 469 89.166 7.330 13.123 1.00 0.00 H new ATOM 0 HZ3 LYS A 469 88.288 8.405 12.146 1.00 0.00 H new ATOM 520 N GLN A 470 93.082 4.002 11.655 1.00 0.00 N ATOM 521 CA GLN A 470 93.255 3.105 12.790 1.00 0.00 C ATOM 522 C GLN A 470 94.307 2.040 12.501 1.00 0.00 C ATOM 523 O GLN A 470 95.144 1.739 13.353 1.00 0.00 O ATOM 524 CB GLN A 470 91.925 2.444 13.149 1.00 0.00 C ATOM 525 CG GLN A 470 91.169 3.162 14.257 1.00 0.00 C ATOM 526 CD GLN A 470 91.395 2.535 15.618 1.00 0.00 C ATOM 527 OE1 GLN A 470 91.207 1.332 15.800 1.00 0.00 O ATOM 528 NE2 GLN A 470 91.800 3.351 16.584 1.00 0.00 N ATOM 0 H GLN A 470 92.235 3.838 11.110 1.00 0.00 H new ATOM 0 HA GLN A 470 93.600 3.699 13.636 1.00 0.00 H new ATOM 0 HB2 GLN A 470 91.297 2.403 12.259 1.00 0.00 H new ATOM 0 HB3 GLN A 470 92.111 1.415 13.455 1.00 0.00 H new ATOM 0 HG2 GLN A 470 91.480 4.206 14.286 1.00 0.00 H new ATOM 0 HG3 GLN A 470 90.103 3.153 14.029 1.00 0.00 H new ATOM 0 HE21 GLN A 470 91.943 4.342 16.388 1.00 0.00 H new ATOM 0 HE22 GLN A 470 91.968 2.987 17.522 1.00 0.00 H new ATOM 537 N VAL A 471 94.266 1.470 11.301 1.00 0.00 N ATOM 538 CA VAL A 471 95.226 0.439 10.923 1.00 0.00 C ATOM 539 C VAL A 471 96.641 1.006 10.877 1.00 0.00 C ATOM 540 O VAL A 471 97.582 0.393 11.381 1.00 0.00 O ATOM 541 CB VAL A 471 94.883 -0.182 9.553 1.00 0.00 C ATOM 542 CG1 VAL A 471 96.046 -1.015 9.034 1.00 0.00 C ATOM 543 CG2 VAL A 471 93.620 -1.022 9.647 1.00 0.00 C ATOM 0 H VAL A 471 93.584 1.702 10.579 1.00 0.00 H new ATOM 0 HA VAL A 471 95.171 -0.341 11.683 1.00 0.00 H new ATOM 0 HB VAL A 471 94.702 0.628 8.846 1.00 0.00 H new ATOM 0 HG11 VAL A 471 95.783 -1.444 8.067 1.00 0.00 H new ATOM 0 HG12 VAL A 471 96.926 -0.382 8.923 1.00 0.00 H new ATOM 0 HG13 VAL A 471 96.263 -1.817 9.740 1.00 0.00 H new ATOM 0 HG21 VAL A 471 93.395 -1.451 8.671 1.00 0.00 H new ATOM 0 HG22 VAL A 471 93.769 -1.824 10.370 1.00 0.00 H new ATOM 0 HG23 VAL A 471 92.789 -0.394 9.968 1.00 0.00 H new ATOM 553 N ARG A 472 96.781 2.184 10.279 1.00 0.00 N ATOM 554 CA ARG A 472 98.083 2.836 10.180 1.00 0.00 C ATOM 555 C ARG A 472 98.623 3.174 11.566 1.00 0.00 C ATOM 556 O ARG A 472 99.805 2.976 11.848 1.00 0.00 O ATOM 557 CB ARG A 472 97.981 4.103 9.330 1.00 0.00 C ATOM 558 CG ARG A 472 97.589 5.342 10.119 1.00 0.00 C ATOM 559 CD ARG A 472 97.446 6.554 9.212 1.00 0.00 C ATOM 560 NE ARG A 472 97.925 7.777 9.849 1.00 0.00 N ATOM 561 CZ ARG A 472 99.203 8.139 9.880 1.00 0.00 C ATOM 562 NH1 ARG A 472 100.126 7.369 9.318 1.00 0.00 N ATOM 563 NH2 ARG A 472 99.561 9.270 10.472 1.00 0.00 N ATOM 0 H ARG A 472 96.013 2.706 9.857 1.00 0.00 H new ATOM 0 HA ARG A 472 98.775 2.145 9.699 1.00 0.00 H new ATOM 0 HB2 ARG A 472 98.940 4.282 8.844 1.00 0.00 H new ATOM 0 HB3 ARG A 472 97.249 3.941 8.539 1.00 0.00 H new ATOM 0 HG2 ARG A 472 96.648 5.162 10.639 1.00 0.00 H new ATOM 0 HG3 ARG A 472 98.341 5.543 10.882 1.00 0.00 H new ATOM 0 HD2 ARG A 472 98.003 6.384 8.290 1.00 0.00 H new ATOM 0 HD3 ARG A 472 96.399 6.677 8.934 1.00 0.00 H new ATOM 0 HE ARG A 472 97.241 8.388 10.295 1.00 0.00 H new ATOM 0 HH11 ARG A 472 99.855 6.498 8.862 1.00 0.00 H new ATOM 0 HH12 ARG A 472 101.107 7.648 9.342 1.00 0.00 H new ATOM 0 HH21 ARG A 472 98.855 9.865 10.905 1.00 0.00 H new ATOM 0 HH22 ARG A 472 100.543 9.545 10.494 1.00 0.00 H new ATOM 577 N ASP A 473 97.746 3.686 12.425 1.00 0.00 N ATOM 578 CA ASP A 473 98.131 4.055 13.783 1.00 0.00 C ATOM 579 C ASP A 473 98.497 2.823 14.605 1.00 0.00 C ATOM 580 O ASP A 473 99.415 2.861 15.423 1.00 0.00 O ATOM 581 CB ASP A 473 96.991 4.815 14.463 1.00 0.00 C ATOM 582 CG ASP A 473 97.492 5.937 15.351 1.00 0.00 C ATOM 583 OD1 ASP A 473 98.706 6.226 15.313 1.00 0.00 O ATOM 584 OD2 ASP A 473 96.670 6.525 16.085 1.00 0.00 O ATOM 0 H ASP A 473 96.764 3.855 12.205 1.00 0.00 H new ATOM 0 HA ASP A 473 99.009 4.698 13.723 1.00 0.00 H new ATOM 0 HB2 ASP A 473 96.328 5.226 13.702 1.00 0.00 H new ATOM 0 HB3 ASP A 473 96.400 4.120 15.059 1.00 0.00 H new ATOM 589 N THR A 474 97.770 1.731 14.384 1.00 0.00 N ATOM 590 CA THR A 474 98.016 0.487 15.106 1.00 0.00 C ATOM 591 C THR A 474 99.407 -0.065 14.808 1.00 0.00 C ATOM 592 O THR A 474 100.215 -0.282 15.718 1.00 0.00 O ATOM 593 CB THR A 474 96.970 -0.585 14.748 1.00 0.00 C ATOM 594 OG1 THR A 474 96.523 -0.446 13.394 1.00 0.00 O ATOM 595 CG2 THR A 474 95.760 -0.495 15.667 1.00 0.00 C ATOM 0 H THR A 474 97.006 1.683 13.710 1.00 0.00 H new ATOM 0 HA THR A 474 97.943 0.723 16.168 1.00 0.00 H new ATOM 0 HB THR A 474 97.456 -1.553 14.872 1.00 0.00 H new ATOM 0 HG1 THR A 474 97.299 -0.387 12.798 1.00 0.00 H new ATOM 0 HG21 THR A 474 95.037 -1.263 15.393 1.00 0.00 H new ATOM 0 HG22 THR A 474 96.075 -0.646 16.699 1.00 0.00 H new ATOM 0 HG23 THR A 474 95.300 0.488 15.568 1.00 0.00 H new ATOM 603 N LEU A 475 99.692 -0.275 13.526 1.00 0.00 N ATOM 604 CA LEU A 475 100.992 -0.788 13.116 1.00 0.00 C ATOM 605 C LEU A 475 102.090 0.180 13.530 1.00 0.00 C ATOM 606 O LEU A 475 103.156 -0.231 13.988 1.00 0.00 O ATOM 607 CB LEU A 475 101.032 -1.016 11.603 1.00 0.00 C ATOM 608 CG LEU A 475 100.502 0.143 10.756 1.00 0.00 C ATOM 609 CD1 LEU A 475 101.631 1.092 10.386 1.00 0.00 C ATOM 610 CD2 LEU A 475 99.818 -0.386 9.504 1.00 0.00 C ATOM 0 H LEU A 475 99.044 -0.099 12.759 1.00 0.00 H new ATOM 0 HA LEU A 475 101.157 -1.745 13.612 1.00 0.00 H new ATOM 0 HB2 LEU A 475 102.062 -1.219 11.309 1.00 0.00 H new ATOM 0 HB3 LEU A 475 100.453 -1.910 11.371 1.00 0.00 H new ATOM 0 HG LEU A 475 99.769 0.695 11.344 1.00 0.00 H new ATOM 0 HD11 LEU A 475 101.236 1.910 9.784 1.00 0.00 H new ATOM 0 HD12 LEU A 475 102.081 1.494 11.294 1.00 0.00 H new ATOM 0 HD13 LEU A 475 102.387 0.553 9.815 1.00 0.00 H new ATOM 0 HD21 LEU A 475 99.446 0.450 8.912 1.00 0.00 H new ATOM 0 HD22 LEU A 475 100.533 -0.959 8.914 1.00 0.00 H new ATOM 0 HD23 LEU A 475 98.984 -1.028 9.789 1.00 0.00 H new ATOM 622 N ALA A 476 101.816 1.473 13.376 1.00 0.00 N ATOM 623 CA ALA A 476 102.778 2.498 13.749 1.00 0.00 C ATOM 624 C ALA A 476 102.955 2.536 15.261 1.00 0.00 C ATOM 625 O ALA A 476 103.998 2.956 15.763 1.00 0.00 O ATOM 626 CB ALA A 476 102.354 3.865 13.231 1.00 0.00 C ATOM 0 H ALA A 476 100.939 1.831 12.997 1.00 0.00 H new ATOM 0 HA ALA A 476 103.733 2.245 13.290 1.00 0.00 H new ATOM 0 HB1 ALA A 476 103.092 4.611 13.525 1.00 0.00 H new ATOM 0 HB2 ALA A 476 102.281 3.836 12.144 1.00 0.00 H new ATOM 0 HB3 ALA A 476 101.384 4.129 13.652 1.00 0.00 H new ATOM 632 N ALA A 477 101.934 2.083 15.986 1.00 0.00 N ATOM 633 CA ALA A 477 101.994 2.058 17.441 1.00 0.00 C ATOM 634 C ALA A 477 102.926 0.948 17.904 1.00 0.00 C ATOM 635 O ALA A 477 103.563 1.052 18.952 1.00 0.00 O ATOM 636 CB ALA A 477 100.609 1.878 18.048 1.00 0.00 C ATOM 0 H ALA A 477 101.062 1.731 15.591 1.00 0.00 H new ATOM 0 HA ALA A 477 102.384 3.017 17.783 1.00 0.00 H new ATOM 0 HB1 ALA A 477 100.687 1.863 19.135 1.00 0.00 H new ATOM 0 HB2 ALA A 477 99.967 2.704 17.742 1.00 0.00 H new ATOM 0 HB3 ALA A 477 100.180 0.938 17.702 1.00 0.00 H new ATOM 642 N ILE A 478 103.012 -0.109 17.101 1.00 0.00 N ATOM 643 CA ILE A 478 103.884 -1.233 17.421 1.00 0.00 C ATOM 644 C ILE A 478 105.327 -0.925 17.024 1.00 0.00 C ATOM 645 O ILE A 478 106.272 -1.380 17.669 1.00 0.00 O ATOM 646 CB ILE A 478 103.428 -2.523 16.712 1.00 0.00 C ATOM 647 CG1 ILE A 478 102.101 -3.009 17.299 1.00 0.00 C ATOM 648 CG2 ILE A 478 104.496 -3.601 16.837 1.00 0.00 C ATOM 649 CD1 ILE A 478 101.019 -3.209 16.260 1.00 0.00 C ATOM 0 H ILE A 478 102.492 -0.210 16.229 1.00 0.00 H new ATOM 0 HA ILE A 478 103.826 -1.388 18.498 1.00 0.00 H new ATOM 0 HB ILE A 478 103.279 -2.308 15.654 1.00 0.00 H new ATOM 0 HG12 ILE A 478 102.268 -3.949 17.824 1.00 0.00 H new ATOM 0 HG13 ILE A 478 101.754 -2.288 18.039 1.00 0.00 H new ATOM 0 HG21 ILE A 478 104.160 -4.506 16.332 1.00 0.00 H new ATOM 0 HG22 ILE A 478 105.421 -3.252 16.379 1.00 0.00 H new ATOM 0 HG23 ILE A 478 104.672 -3.818 17.891 1.00 0.00 H new ATOM 0 HD11 ILE A 478 100.107 -3.554 16.747 1.00 0.00 H new ATOM 0 HD12 ILE A 478 100.824 -2.265 15.751 1.00 0.00 H new ATOM 0 HD13 ILE A 478 101.346 -3.952 15.533 1.00 0.00 H new ATOM 661 N SER A 479 105.485 -0.146 15.957 1.00 0.00 N ATOM 662 CA SER A 479 106.808 0.231 15.469 1.00 0.00 C ATOM 663 C SER A 479 106.711 1.394 14.486 1.00 0.00 C ATOM 664 O SER A 479 105.622 1.744 14.031 1.00 0.00 O ATOM 665 CB SER A 479 107.491 -0.963 14.801 1.00 0.00 C ATOM 666 OG SER A 479 106.556 -1.755 14.091 1.00 0.00 O ATOM 0 H SER A 479 104.712 0.237 15.413 1.00 0.00 H new ATOM 0 HA SER A 479 107.407 0.548 16.323 1.00 0.00 H new ATOM 0 HB2 SER A 479 108.264 -0.609 14.119 1.00 0.00 H new ATOM 0 HB3 SER A 479 107.987 -1.571 15.557 1.00 0.00 H new ATOM 0 HG SER A 479 107.019 -2.511 13.672 1.00 0.00 H new ATOM 672 N GLU A 480 107.853 1.991 14.164 1.00 0.00 N ATOM 673 CA GLU A 480 107.889 3.117 13.238 1.00 0.00 C ATOM 674 C GLU A 480 107.747 2.645 11.793 1.00 0.00 C ATOM 675 O GLU A 480 108.619 1.955 11.266 1.00 0.00 O ATOM 676 CB GLU A 480 109.193 3.900 13.402 1.00 0.00 C ATOM 677 CG GLU A 480 109.395 4.971 12.341 1.00 0.00 C ATOM 678 CD GLU A 480 110.858 5.307 12.124 1.00 0.00 C ATOM 679 OE1 GLU A 480 111.715 4.677 12.779 1.00 0.00 O ATOM 680 OE2 GLU A 480 111.147 6.200 11.300 1.00 0.00 O ATOM 0 H GLU A 480 108.764 1.715 14.530 1.00 0.00 H new ATOM 0 HA GLU A 480 107.048 3.769 13.472 1.00 0.00 H new ATOM 0 HB2 GLU A 480 109.205 4.368 14.386 1.00 0.00 H new ATOM 0 HB3 GLU A 480 110.032 3.205 13.369 1.00 0.00 H new ATOM 0 HG2 GLU A 480 108.960 4.632 11.401 1.00 0.00 H new ATOM 0 HG3 GLU A 480 108.858 5.873 12.634 1.00 0.00 H new ATOM 687 N VAL A 481 106.646 3.032 11.158 1.00 0.00 N ATOM 688 CA VAL A 481 106.388 2.660 9.772 1.00 0.00 C ATOM 689 C VAL A 481 106.556 3.860 8.852 1.00 0.00 C ATOM 690 O VAL A 481 106.676 4.995 9.312 1.00 0.00 O ATOM 691 CB VAL A 481 104.972 2.084 9.594 1.00 0.00 C ATOM 692 CG1 VAL A 481 104.945 0.604 9.943 1.00 0.00 C ATOM 693 CG2 VAL A 481 103.973 2.857 10.442 1.00 0.00 C ATOM 0 H VAL A 481 105.916 3.605 11.582 1.00 0.00 H new ATOM 0 HA VAL A 481 107.114 1.891 9.508 1.00 0.00 H new ATOM 0 HB VAL A 481 104.687 2.189 8.547 1.00 0.00 H new ATOM 0 HG11 VAL A 481 103.935 0.217 9.810 1.00 0.00 H new ATOM 0 HG12 VAL A 481 105.629 0.063 9.289 1.00 0.00 H new ATOM 0 HG13 VAL A 481 105.252 0.469 10.980 1.00 0.00 H new ATOM 0 HG21 VAL A 481 102.977 2.437 10.304 1.00 0.00 H new ATOM 0 HG22 VAL A 481 104.255 2.785 11.492 1.00 0.00 H new ATOM 0 HG23 VAL A 481 103.970 3.904 10.138 1.00 0.00 H new ATOM 703 N LEU A 482 106.570 3.605 7.549 1.00 0.00 N ATOM 704 CA LEU A 482 106.729 4.671 6.569 1.00 0.00 C ATOM 705 C LEU A 482 105.376 5.170 6.078 1.00 0.00 C ATOM 706 O LEU A 482 104.987 6.306 6.350 1.00 0.00 O ATOM 707 CB LEU A 482 107.565 4.180 5.386 1.00 0.00 C ATOM 708 CG LEU A 482 107.542 5.086 4.153 1.00 0.00 C ATOM 709 CD1 LEU A 482 108.407 6.315 4.379 1.00 0.00 C ATOM 710 CD2 LEU A 482 108.010 4.318 2.926 1.00 0.00 C ATOM 0 H LEU A 482 106.473 2.672 7.148 1.00 0.00 H new ATOM 0 HA LEU A 482 107.245 5.501 7.053 1.00 0.00 H new ATOM 0 HB2 LEU A 482 108.598 4.066 5.714 1.00 0.00 H new ATOM 0 HB3 LEU A 482 107.211 3.190 5.097 1.00 0.00 H new ATOM 0 HG LEU A 482 106.518 5.417 3.983 1.00 0.00 H new ATOM 0 HD11 LEU A 482 108.379 6.948 3.492 1.00 0.00 H new ATOM 0 HD12 LEU A 482 108.029 6.873 5.235 1.00 0.00 H new ATOM 0 HD13 LEU A 482 109.434 6.006 4.572 1.00 0.00 H new ATOM 0 HD21 LEU A 482 107.989 4.974 2.056 1.00 0.00 H new ATOM 0 HD22 LEU A 482 109.027 3.961 3.086 1.00 0.00 H new ATOM 0 HD23 LEU A 482 107.350 3.468 2.755 1.00 0.00 H new ATOM 722 N TYR A 483 104.666 4.320 5.346 1.00 0.00 N ATOM 723 CA TYR A 483 103.358 4.688 4.811 1.00 0.00 C ATOM 724 C TYR A 483 102.425 3.485 4.744 1.00 0.00 C ATOM 725 O TYR A 483 102.847 2.379 4.419 1.00 0.00 O ATOM 726 CB TYR A 483 103.513 5.304 3.420 1.00 0.00 C ATOM 727 CG TYR A 483 102.197 5.598 2.738 1.00 0.00 C ATOM 728 CD1 TYR A 483 101.355 4.569 2.339 1.00 0.00 C ATOM 729 CD2 TYR A 483 101.800 6.905 2.491 1.00 0.00 C ATOM 730 CE1 TYR A 483 100.153 4.834 1.712 1.00 0.00 C ATOM 731 CE2 TYR A 483 100.599 7.179 1.866 1.00 0.00 C ATOM 732 CZ TYR A 483 99.779 6.141 1.477 1.00 0.00 C ATOM 733 OH TYR A 483 98.584 6.411 0.853 1.00 0.00 O ATOM 0 H TYR A 483 104.971 3.376 5.109 1.00 0.00 H new ATOM 0 HA TYR A 483 102.916 5.421 5.485 1.00 0.00 H new ATOM 0 HB2 TYR A 483 104.084 6.229 3.503 1.00 0.00 H new ATOM 0 HB3 TYR A 483 104.093 4.626 2.794 1.00 0.00 H new ATOM 0 HD1 TYR A 483 101.644 3.545 2.522 1.00 0.00 H new ATOM 0 HD2 TYR A 483 102.440 7.721 2.792 1.00 0.00 H new ATOM 0 HE1 TYR A 483 99.509 4.022 1.407 1.00 0.00 H new ATOM 0 HE2 TYR A 483 100.304 8.202 1.683 1.00 0.00 H new ATOM 0 HH TYR A 483 98.472 7.381 0.765 1.00 0.00 H new ATOM 743 N VAL A 484 101.150 3.711 5.049 1.00 0.00 N ATOM 744 CA VAL A 484 100.156 2.644 5.017 1.00 0.00 C ATOM 745 C VAL A 484 99.182 2.840 3.858 1.00 0.00 C ATOM 746 O VAL A 484 98.453 3.831 3.808 1.00 0.00 O ATOM 747 CB VAL A 484 99.361 2.571 6.334 1.00 0.00 C ATOM 748 CG1 VAL A 484 98.333 1.452 6.276 1.00 0.00 C ATOM 749 CG2 VAL A 484 100.301 2.378 7.514 1.00 0.00 C ATOM 0 H VAL A 484 100.782 4.623 5.321 1.00 0.00 H new ATOM 0 HA VAL A 484 100.700 1.709 4.881 1.00 0.00 H new ATOM 0 HB VAL A 484 98.831 3.514 6.470 1.00 0.00 H new ATOM 0 HG11 VAL A 484 97.781 1.416 7.215 1.00 0.00 H new ATOM 0 HG12 VAL A 484 97.640 1.637 5.455 1.00 0.00 H new ATOM 0 HG13 VAL A 484 98.840 0.500 6.116 1.00 0.00 H new ATOM 0 HG21 VAL A 484 99.722 2.329 8.436 1.00 0.00 H new ATOM 0 HG22 VAL A 484 100.860 1.451 7.386 1.00 0.00 H new ATOM 0 HG23 VAL A 484 100.996 3.216 7.566 1.00 0.00 H new ATOM 759 N ASP A 485 99.180 1.893 2.924 1.00 0.00 N ATOM 760 CA ASP A 485 98.300 1.964 1.761 1.00 0.00 C ATOM 761 C ASP A 485 97.083 1.059 1.929 1.00 0.00 C ATOM 762 O ASP A 485 97.124 -0.123 1.589 1.00 0.00 O ATOM 763 CB ASP A 485 99.065 1.574 0.495 1.00 0.00 C ATOM 764 CG ASP A 485 98.157 1.456 -0.714 1.00 0.00 C ATOM 765 OD1 ASP A 485 97.402 2.413 -0.984 1.00 0.00 O ATOM 766 OD2 ASP A 485 98.203 0.407 -1.391 1.00 0.00 O ATOM 0 H ASP A 485 99.778 1.067 2.950 1.00 0.00 H new ATOM 0 HA ASP A 485 97.950 2.992 1.670 1.00 0.00 H new ATOM 0 HB2 ASP A 485 99.836 2.318 0.296 1.00 0.00 H new ATOM 0 HB3 ASP A 485 99.573 0.624 0.659 1.00 0.00 H new ATOM 771 N LEU A 486 95.998 1.624 2.448 1.00 0.00 N ATOM 772 CA LEU A 486 94.765 0.872 2.653 1.00 0.00 C ATOM 773 C LEU A 486 93.891 0.923 1.403 1.00 0.00 C ATOM 774 O LEU A 486 93.649 1.997 0.852 1.00 0.00 O ATOM 775 CB LEU A 486 93.995 1.431 3.851 1.00 0.00 C ATOM 776 CG LEU A 486 92.644 0.768 4.121 1.00 0.00 C ATOM 777 CD1 LEU A 486 92.677 0.009 5.439 1.00 0.00 C ATOM 778 CD2 LEU A 486 91.534 1.806 4.131 1.00 0.00 C ATOM 0 H LEU A 486 95.947 2.602 2.735 1.00 0.00 H new ATOM 0 HA LEU A 486 95.027 -0.167 2.854 1.00 0.00 H new ATOM 0 HB2 LEU A 486 94.616 1.330 4.741 1.00 0.00 H new ATOM 0 HB3 LEU A 486 93.834 2.497 3.694 1.00 0.00 H new ATOM 0 HG LEU A 486 92.443 0.057 3.320 1.00 0.00 H new ATOM 0 HD11 LEU A 486 91.707 -0.457 5.615 1.00 0.00 H new ATOM 0 HD12 LEU A 486 93.447 -0.761 5.396 1.00 0.00 H new ATOM 0 HD13 LEU A 486 92.900 0.700 6.252 1.00 0.00 H new ATOM 0 HD21 LEU A 486 90.580 1.316 4.325 1.00 0.00 H new ATOM 0 HD22 LEU A 486 91.730 2.541 4.912 1.00 0.00 H new ATOM 0 HD23 LEU A 486 91.495 2.307 3.164 1.00 0.00 H new ATOM 790 N LEU A 487 93.421 -0.238 0.955 1.00 0.00 N ATOM 791 CA LEU A 487 92.577 -0.308 -0.233 1.00 0.00 C ATOM 792 C LEU A 487 91.235 0.376 0.010 1.00 0.00 C ATOM 793 O LEU A 487 90.339 -0.195 0.633 1.00 0.00 O ATOM 794 CB LEU A 487 92.360 -1.766 -0.638 1.00 0.00 C ATOM 795 CG LEU A 487 93.594 -2.470 -1.204 1.00 0.00 C ATOM 796 CD1 LEU A 487 93.651 -2.318 -2.716 1.00 0.00 C ATOM 797 CD2 LEU A 487 94.858 -1.920 -0.562 1.00 0.00 C ATOM 0 H LEU A 487 93.609 -1.139 1.395 1.00 0.00 H new ATOM 0 HA LEU A 487 93.084 0.215 -1.044 1.00 0.00 H new ATOM 0 HB2 LEU A 487 92.011 -2.321 0.233 1.00 0.00 H new ATOM 0 HB3 LEU A 487 91.564 -1.806 -1.382 1.00 0.00 H new ATOM 0 HG LEU A 487 93.523 -3.532 -0.971 1.00 0.00 H new ATOM 0 HD11 LEU A 487 94.536 -2.826 -3.100 1.00 0.00 H new ATOM 0 HD12 LEU A 487 92.759 -2.759 -3.160 1.00 0.00 H new ATOM 0 HD13 LEU A 487 93.699 -1.260 -2.974 1.00 0.00 H new ATOM 0 HD21 LEU A 487 95.728 -2.431 -0.975 1.00 0.00 H new ATOM 0 HD22 LEU A 487 94.934 -0.852 -0.765 1.00 0.00 H new ATOM 0 HD23 LEU A 487 94.819 -2.083 0.515 1.00 0.00 H new ATOM 809 N GLU A 488 91.107 1.602 -0.486 1.00 0.00 N ATOM 810 CA GLU A 488 89.877 2.372 -0.326 1.00 0.00 C ATOM 811 C GLU A 488 88.659 1.551 -0.735 1.00 0.00 C ATOM 812 O GLU A 488 88.480 1.231 -1.910 1.00 0.00 O ATOM 813 CB GLU A 488 89.940 3.652 -1.158 1.00 0.00 C ATOM 814 CG GLU A 488 90.403 3.426 -2.588 1.00 0.00 C ATOM 815 CD GLU A 488 91.796 3.965 -2.843 1.00 0.00 C ATOM 816 OE1 GLU A 488 92.559 3.312 -3.584 1.00 0.00 O ATOM 817 OE2 GLU A 488 92.124 5.041 -2.300 1.00 0.00 O ATOM 0 H GLU A 488 91.841 2.085 -1.003 1.00 0.00 H new ATOM 0 HA GLU A 488 89.780 2.633 0.728 1.00 0.00 H new ATOM 0 HB2 GLU A 488 88.953 4.114 -1.173 1.00 0.00 H new ATOM 0 HB3 GLU A 488 90.615 4.357 -0.674 1.00 0.00 H new ATOM 0 HG2 GLU A 488 90.385 2.358 -2.807 1.00 0.00 H new ATOM 0 HG3 GLU A 488 89.702 3.904 -3.272 1.00 0.00 H new ATOM 824 N GLY A 489 87.823 1.215 0.241 1.00 0.00 N ATOM 825 CA GLY A 489 86.633 0.436 -0.039 1.00 0.00 C ATOM 826 C GLY A 489 86.901 -1.052 0.010 1.00 0.00 C ATOM 827 O GLY A 489 86.059 -1.856 -0.394 1.00 0.00 O ATOM 0 H GLY A 489 87.949 1.469 1.221 1.00 0.00 H new ATOM 0 HA2 GLY A 489 85.857 0.688 0.684 1.00 0.00 H new ATOM 0 HA3 GLY A 489 86.250 0.702 -1.024 1.00 0.00 H new ATOM 831 N ASP A 490 88.078 -1.420 0.501 1.00 0.00 N ATOM 832 CA ASP A 490 88.459 -2.823 0.598 1.00 0.00 C ATOM 833 C ASP A 490 88.858 -3.188 2.024 1.00 0.00 C ATOM 834 O ASP A 490 89.381 -2.358 2.768 1.00 0.00 O ATOM 835 CB ASP A 490 89.611 -3.124 -0.361 1.00 0.00 C ATOM 836 CG ASP A 490 89.318 -4.304 -1.267 1.00 0.00 C ATOM 837 OD1 ASP A 490 88.523 -5.179 -0.863 1.00 0.00 O ATOM 838 OD2 ASP A 490 89.881 -4.350 -2.380 1.00 0.00 O ATOM 0 H ASP A 490 88.785 -0.766 0.838 1.00 0.00 H new ATOM 0 HA ASP A 490 87.595 -3.427 0.321 1.00 0.00 H new ATOM 0 HB2 ASP A 490 89.812 -2.243 -0.971 1.00 0.00 H new ATOM 0 HB3 ASP A 490 90.515 -3.327 0.214 1.00 0.00 H new ATOM 843 N THR A 491 88.597 -4.436 2.397 1.00 0.00 N ATOM 844 CA THR A 491 88.915 -4.926 3.734 1.00 0.00 C ATOM 845 C THR A 491 90.382 -5.333 3.854 1.00 0.00 C ATOM 846 O THR A 491 90.773 -5.985 4.822 1.00 0.00 O ATOM 847 CB THR A 491 88.033 -6.132 4.109 1.00 0.00 C ATOM 848 OG1 THR A 491 88.357 -7.282 3.318 1.00 0.00 O ATOM 849 CG2 THR A 491 86.560 -5.809 3.906 1.00 0.00 C ATOM 0 H THR A 491 88.164 -5.131 1.789 1.00 0.00 H new ATOM 0 HA THR A 491 88.719 -4.102 4.420 1.00 0.00 H new ATOM 0 HB THR A 491 88.225 -6.350 5.160 1.00 0.00 H new ATOM 0 HG1 THR A 491 87.782 -8.031 3.580 1.00 0.00 H new ATOM 0 HG21 THR A 491 85.957 -6.675 4.177 1.00 0.00 H new ATOM 0 HG22 THR A 491 86.283 -4.963 4.535 1.00 0.00 H new ATOM 0 HG23 THR A 491 86.384 -5.557 2.860 1.00 0.00 H new ATOM 857 N GLU A 492 91.188 -4.951 2.870 1.00 0.00 N ATOM 858 CA GLU A 492 92.607 -5.287 2.876 1.00 0.00 C ATOM 859 C GLU A 492 93.476 -4.051 2.656 1.00 0.00 C ATOM 860 O GLU A 492 93.234 -3.259 1.742 1.00 0.00 O ATOM 861 CB GLU A 492 92.907 -6.329 1.796 1.00 0.00 C ATOM 862 CG GLU A 492 92.245 -6.030 0.461 1.00 0.00 C ATOM 863 CD GLU A 492 92.748 -6.928 -0.651 1.00 0.00 C ATOM 864 OE1 GLU A 492 92.488 -6.614 -1.831 1.00 0.00 O ATOM 865 OE2 GLU A 492 93.401 -7.945 -0.341 1.00 0.00 O ATOM 0 H GLU A 492 90.885 -4.410 2.060 1.00 0.00 H new ATOM 0 HA GLU A 492 92.846 -5.699 3.856 1.00 0.00 H new ATOM 0 HB2 GLU A 492 93.986 -6.390 1.652 1.00 0.00 H new ATOM 0 HB3 GLU A 492 92.576 -7.307 2.145 1.00 0.00 H new ATOM 0 HG2 GLU A 492 91.166 -6.149 0.560 1.00 0.00 H new ATOM 0 HG3 GLU A 492 92.428 -4.989 0.194 1.00 0.00 H new ATOM 872 N CYS A 493 94.493 -3.899 3.496 1.00 0.00 N ATOM 873 CA CYS A 493 95.410 -2.770 3.397 1.00 0.00 C ATOM 874 C CYS A 493 96.855 -3.262 3.397 1.00 0.00 C ATOM 875 O CYS A 493 97.181 -4.247 4.056 1.00 0.00 O ATOM 876 CB CYS A 493 95.184 -1.799 4.556 1.00 0.00 C ATOM 877 SG CYS A 493 96.588 -0.714 4.904 1.00 0.00 S ATOM 0 H CYS A 493 94.704 -4.546 4.256 1.00 0.00 H new ATOM 0 HA CYS A 493 95.217 -2.247 2.460 1.00 0.00 H new ATOM 0 HB2 CYS A 493 94.311 -1.185 4.335 1.00 0.00 H new ATOM 0 HB3 CYS A 493 94.951 -2.372 5.454 1.00 0.00 H new ATOM 0 HG CYS A 493 96.835 -0.720 6.180 1.00 0.00 H new ATOM 883 N HIS A 494 97.715 -2.576 2.654 1.00 0.00 N ATOM 884 CA HIS A 494 99.122 -2.956 2.571 1.00 0.00 C ATOM 885 C HIS A 494 100.029 -1.771 2.890 1.00 0.00 C ATOM 886 O HIS A 494 100.139 -0.833 2.101 1.00 0.00 O ATOM 887 CB HIS A 494 99.443 -3.491 1.175 1.00 0.00 C ATOM 888 CG HIS A 494 98.768 -4.789 0.856 1.00 0.00 C ATOM 889 ND1 HIS A 494 97.404 -4.972 0.946 1.00 0.00 N ATOM 890 CD2 HIS A 494 99.277 -5.971 0.436 1.00 0.00 C ATOM 891 CE1 HIS A 494 97.103 -6.210 0.597 1.00 0.00 C ATOM 892 NE2 HIS A 494 98.223 -6.837 0.283 1.00 0.00 N ATOM 0 H HIS A 494 97.465 -1.756 2.101 1.00 0.00 H new ATOM 0 HA HIS A 494 99.304 -3.738 3.308 1.00 0.00 H new ATOM 0 HB2 HIS A 494 99.149 -2.747 0.434 1.00 0.00 H new ATOM 0 HB3 HIS A 494 100.521 -3.621 1.085 1.00 0.00 H new ATOM 0 HD2 HIS A 494 100.319 -6.192 0.255 1.00 0.00 H new ATOM 0 HE1 HIS A 494 96.111 -6.637 0.572 1.00 0.00 H new ATOM 0 HE2 HIS A 494 98.293 -7.807 -0.023 1.00 0.00 H new ATOM 901 N ALA A 495 100.671 -1.815 4.055 1.00 0.00 N ATOM 902 CA ALA A 495 101.560 -0.739 4.476 1.00 0.00 C ATOM 903 C ALA A 495 103.003 -1.009 4.064 1.00 0.00 C ATOM 904 O ALA A 495 103.510 -2.120 4.219 1.00 0.00 O ATOM 905 CB ALA A 495 101.480 -0.524 5.980 1.00 0.00 C ATOM 0 H ALA A 495 100.592 -2.583 4.722 1.00 0.00 H new ATOM 0 HA ALA A 495 101.227 0.168 3.972 1.00 0.00 H new ATOM 0 HB1 ALA A 495 102.153 0.284 6.268 1.00 0.00 H new ATOM 0 HB2 ALA A 495 100.459 -0.262 6.256 1.00 0.00 H new ATOM 0 HB3 ALA A 495 101.771 -1.440 6.494 1.00 0.00 H new ATOM 911 N ARG A 496 103.659 0.025 3.547 1.00 0.00 N ATOM 912 CA ARG A 496 105.049 -0.074 3.116 1.00 0.00 C ATOM 913 C ARG A 496 105.991 0.317 4.254 1.00 0.00 C ATOM 914 O ARG A 496 105.817 1.365 4.882 1.00 0.00 O ATOM 915 CB ARG A 496 105.289 0.838 1.911 1.00 0.00 C ATOM 916 CG ARG A 496 104.081 0.965 0.996 1.00 0.00 C ATOM 917 CD ARG A 496 104.495 1.299 -0.428 1.00 0.00 C ATOM 918 NE ARG A 496 104.740 2.729 -0.606 1.00 0.00 N ATOM 919 CZ ARG A 496 103.810 3.599 -0.992 1.00 0.00 C ATOM 920 NH1 ARG A 496 102.571 3.189 -1.231 1.00 0.00 N ATOM 921 NH2 ARG A 496 104.117 4.881 -1.132 1.00 0.00 N ATOM 0 H ARG A 496 103.246 0.948 3.416 1.00 0.00 H new ATOM 0 HA ARG A 496 105.251 -1.107 2.832 1.00 0.00 H new ATOM 0 HB2 ARG A 496 105.572 1.829 2.266 1.00 0.00 H new ATOM 0 HB3 ARG A 496 106.131 0.453 1.336 1.00 0.00 H new ATOM 0 HG2 ARG A 496 103.518 0.032 1.003 1.00 0.00 H new ATOM 0 HG3 ARG A 496 103.416 1.741 1.375 1.00 0.00 H new ATOM 0 HD2 ARG A 496 105.397 0.742 -0.683 1.00 0.00 H new ATOM 0 HD3 ARG A 496 103.715 0.976 -1.117 1.00 0.00 H new ATOM 0 HE ARG A 496 105.680 3.081 -0.423 1.00 0.00 H new ATOM 0 HH11 ARG A 496 102.329 2.204 -1.119 1.00 0.00 H new ATOM 0 HH12 ARG A 496 101.860 3.858 -1.527 1.00 0.00 H new ATOM 0 HH21 ARG A 496 105.067 5.201 -0.944 1.00 0.00 H new ATOM 0 HH22 ARG A 496 103.403 5.547 -1.428 1.00 0.00 H new ATOM 935 N PHE A 497 106.990 -0.523 4.515 1.00 0.00 N ATOM 936 CA PHE A 497 107.956 -0.248 5.577 1.00 0.00 C ATOM 937 C PHE A 497 109.294 0.191 4.994 1.00 0.00 C ATOM 938 O PHE A 497 109.630 -0.142 3.857 1.00 0.00 O ATOM 939 CB PHE A 497 108.149 -1.481 6.464 1.00 0.00 C ATOM 940 CG PHE A 497 106.944 -1.816 7.294 1.00 0.00 C ATOM 941 CD1 PHE A 497 105.703 -1.967 6.701 1.00 0.00 C ATOM 942 CD2 PHE A 497 107.054 -1.981 8.666 1.00 0.00 C ATOM 943 CE1 PHE A 497 104.591 -2.278 7.459 1.00 0.00 C ATOM 944 CE2 PHE A 497 105.945 -2.292 9.430 1.00 0.00 C ATOM 945 CZ PHE A 497 104.711 -2.440 8.825 1.00 0.00 C ATOM 0 H PHE A 497 107.152 -1.394 4.010 1.00 0.00 H new ATOM 0 HA PHE A 497 107.561 0.564 6.187 1.00 0.00 H new ATOM 0 HB2 PHE A 497 108.396 -2.336 5.835 1.00 0.00 H new ATOM 0 HB3 PHE A 497 109.000 -1.314 7.124 1.00 0.00 H new ATOM 0 HD1 PHE A 497 105.603 -1.840 5.633 1.00 0.00 H new ATOM 0 HD2 PHE A 497 108.016 -1.865 9.143 1.00 0.00 H new ATOM 0 HE1 PHE A 497 103.628 -2.394 6.984 1.00 0.00 H new ATOM 0 HE2 PHE A 497 106.042 -2.419 10.498 1.00 0.00 H new ATOM 0 HZ PHE A 497 103.842 -2.682 9.420 1.00 0.00 H new ATOM 955 N LYS A 498 110.050 0.954 5.778 1.00 0.00 N ATOM 956 CA LYS A 498 111.348 1.456 5.342 1.00 0.00 C ATOM 957 C LYS A 498 112.433 0.390 5.462 1.00 0.00 C ATOM 958 O LYS A 498 113.486 0.495 4.832 1.00 0.00 O ATOM 959 CB LYS A 498 111.736 2.687 6.161 1.00 0.00 C ATOM 960 CG LYS A 498 112.444 3.759 5.348 1.00 0.00 C ATOM 961 CD LYS A 498 111.573 4.992 5.175 1.00 0.00 C ATOM 962 CE LYS A 498 112.205 6.216 5.817 1.00 0.00 C ATOM 963 NZ LYS A 498 111.350 6.783 6.896 1.00 0.00 N ATOM 0 H LYS A 498 109.785 1.238 6.721 1.00 0.00 H new ATOM 0 HA LYS A 498 111.262 1.730 4.290 1.00 0.00 H new ATOM 0 HB2 LYS A 498 110.838 3.115 6.607 1.00 0.00 H new ATOM 0 HB3 LYS A 498 112.383 2.378 6.982 1.00 0.00 H new ATOM 0 HG2 LYS A 498 113.375 4.036 5.842 1.00 0.00 H new ATOM 0 HG3 LYS A 498 112.709 3.359 4.369 1.00 0.00 H new ATOM 0 HD2 LYS A 498 111.412 5.179 4.113 1.00 0.00 H new ATOM 0 HD3 LYS A 498 110.594 4.812 5.619 1.00 0.00 H new ATOM 0 HE2 LYS A 498 113.178 5.948 6.228 1.00 0.00 H new ATOM 0 HE3 LYS A 498 112.379 6.976 5.055 1.00 0.00 H new ATOM 0 HZ1 LYS A 498 111.817 7.616 7.308 1.00 0.00 H new ATOM 0 HZ2 LYS A 498 110.430 7.063 6.499 1.00 0.00 H new ATOM 0 HZ3 LYS A 498 111.204 6.067 7.636 1.00 0.00 H new ATOM 977 N THR A 499 112.178 -0.632 6.270 1.00 0.00 N ATOM 978 CA THR A 499 113.145 -1.706 6.461 1.00 0.00 C ATOM 979 C THR A 499 112.462 -3.069 6.483 1.00 0.00 C ATOM 980 O THR A 499 111.301 -3.189 6.873 1.00 0.00 O ATOM 981 CB THR A 499 113.941 -1.524 7.767 1.00 0.00 C ATOM 982 OG1 THR A 499 113.162 -0.853 8.765 1.00 0.00 O ATOM 983 CG2 THR A 499 115.208 -0.719 7.522 1.00 0.00 C ATOM 0 H THR A 499 111.314 -0.740 6.801 1.00 0.00 H new ATOM 0 HA THR A 499 113.832 -1.661 5.616 1.00 0.00 H new ATOM 0 HB THR A 499 114.199 -2.522 8.122 1.00 0.00 H new ATOM 0 HG1 THR A 499 113.693 -0.754 9.583 1.00 0.00 H new ATOM 0 HG21 THR A 499 115.753 -0.604 8.459 1.00 0.00 H new ATOM 0 HG22 THR A 499 115.836 -1.240 6.799 1.00 0.00 H new ATOM 0 HG23 THR A 499 114.945 0.264 7.132 1.00 0.00 H new ATOM 991 N PRO A 500 113.185 -4.119 6.064 1.00 0.00 N ATOM 992 CA PRO A 500 112.658 -5.486 6.033 1.00 0.00 C ATOM 993 C PRO A 500 112.534 -6.087 7.428 1.00 0.00 C ATOM 994 O PRO A 500 111.571 -6.793 7.729 1.00 0.00 O ATOM 995 CB PRO A 500 113.704 -6.244 5.217 1.00 0.00 C ATOM 996 CG PRO A 500 114.971 -5.498 5.453 1.00 0.00 C ATOM 997 CD PRO A 500 114.579 -4.052 5.586 1.00 0.00 C ATOM 0 HA PRO A 500 111.653 -5.530 5.613 1.00 0.00 H new ATOM 0 HB2 PRO A 500 113.787 -7.281 5.543 1.00 0.00 H new ATOM 0 HB3 PRO A 500 113.445 -6.262 4.158 1.00 0.00 H new ATOM 0 HG2 PRO A 500 115.470 -5.852 6.355 1.00 0.00 H new ATOM 0 HG3 PRO A 500 115.667 -5.640 4.627 1.00 0.00 H new ATOM 0 HD2 PRO A 500 115.221 -3.525 6.292 1.00 0.00 H new ATOM 0 HD3 PRO A 500 114.653 -3.526 4.634 1.00 0.00 H new ATOM 1005 N GLU A 501 113.518 -5.806 8.277 1.00 0.00 N ATOM 1006 CA GLU A 501 113.519 -6.319 9.641 1.00 0.00 C ATOM 1007 C GLU A 501 112.338 -5.767 10.431 1.00 0.00 C ATOM 1008 O GLU A 501 111.752 -6.465 11.257 1.00 0.00 O ATOM 1009 CB GLU A 501 114.831 -5.962 10.342 1.00 0.00 C ATOM 1010 CG GLU A 501 115.003 -4.473 10.593 1.00 0.00 C ATOM 1011 CD GLU A 501 114.742 -4.092 12.037 1.00 0.00 C ATOM 1012 OE1 GLU A 501 113.563 -4.094 12.448 1.00 0.00 O ATOM 1013 OE2 GLU A 501 115.717 -3.789 12.757 1.00 0.00 O ATOM 0 H GLU A 501 114.324 -5.226 8.044 1.00 0.00 H new ATOM 0 HA GLU A 501 113.425 -7.404 9.595 1.00 0.00 H new ATOM 0 HB2 GLU A 501 114.879 -6.490 11.294 1.00 0.00 H new ATOM 0 HB3 GLU A 501 115.665 -6.318 9.737 1.00 0.00 H new ATOM 0 HG2 GLU A 501 116.016 -4.177 10.320 1.00 0.00 H new ATOM 0 HG3 GLU A 501 114.323 -3.918 9.946 1.00 0.00 H new ATOM 1020 N ASP A 502 111.995 -4.510 10.171 1.00 0.00 N ATOM 1021 CA ASP A 502 110.882 -3.865 10.857 1.00 0.00 C ATOM 1022 C ASP A 502 109.585 -4.627 10.612 1.00 0.00 C ATOM 1023 O ASP A 502 108.748 -4.753 11.505 1.00 0.00 O ATOM 1024 CB ASP A 502 110.737 -2.416 10.389 1.00 0.00 C ATOM 1025 CG ASP A 502 110.039 -1.545 11.413 1.00 0.00 C ATOM 1026 OD1 ASP A 502 108.974 -0.980 11.087 1.00 0.00 O ATOM 1027 OD2 ASP A 502 110.555 -1.430 12.545 1.00 0.00 O ATOM 0 H ASP A 502 112.472 -3.918 9.491 1.00 0.00 H new ATOM 0 HA ASP A 502 111.090 -3.871 11.927 1.00 0.00 H new ATOM 0 HB2 ASP A 502 111.724 -2.005 10.179 1.00 0.00 H new ATOM 0 HB3 ASP A 502 110.177 -2.393 9.454 1.00 0.00 H new ATOM 1032 N ALA A 503 109.428 -5.138 9.395 1.00 0.00 N ATOM 1033 CA ALA A 503 108.236 -5.893 9.031 1.00 0.00 C ATOM 1034 C ALA A 503 108.170 -7.205 9.805 1.00 0.00 C ATOM 1035 O ALA A 503 107.110 -7.601 10.288 1.00 0.00 O ATOM 1036 CB ALA A 503 108.200 -6.163 7.534 1.00 0.00 C ATOM 0 H ALA A 503 110.112 -5.042 8.644 1.00 0.00 H new ATOM 0 HA ALA A 503 107.366 -5.291 9.293 1.00 0.00 H new ATOM 0 HB1 ALA A 503 107.301 -6.728 7.288 1.00 0.00 H new ATOM 0 HB2 ALA A 503 108.193 -5.216 6.994 1.00 0.00 H new ATOM 0 HB3 ALA A 503 109.080 -6.738 7.247 1.00 0.00 H new ATOM 1042 N GLN A 504 109.314 -7.872 9.923 1.00 0.00 N ATOM 1043 CA GLN A 504 109.391 -9.138 10.644 1.00 0.00 C ATOM 1044 C GLN A 504 109.019 -8.950 12.111 1.00 0.00 C ATOM 1045 O GLN A 504 108.312 -9.769 12.697 1.00 0.00 O ATOM 1046 CB GLN A 504 110.803 -9.719 10.539 1.00 0.00 C ATOM 1047 CG GLN A 504 110.836 -11.165 10.066 1.00 0.00 C ATOM 1048 CD GLN A 504 111.639 -12.060 10.990 1.00 0.00 C ATOM 1049 OE1 GLN A 504 112.734 -11.702 11.424 1.00 0.00 O ATOM 1050 NE2 GLN A 504 111.096 -13.233 11.296 1.00 0.00 N ATOM 0 H GLN A 504 110.200 -7.557 9.529 1.00 0.00 H new ATOM 0 HA GLN A 504 108.682 -9.831 10.192 1.00 0.00 H new ATOM 0 HB2 GLN A 504 111.388 -9.108 9.852 1.00 0.00 H new ATOM 0 HB3 GLN A 504 111.287 -9.654 11.514 1.00 0.00 H new ATOM 0 HG2 GLN A 504 109.816 -11.544 9.994 1.00 0.00 H new ATOM 0 HG3 GLN A 504 111.263 -11.206 9.064 1.00 0.00 H new ATOM 0 HE21 GLN A 504 110.186 -13.489 10.913 1.00 0.00 H new ATOM 0 HE22 GLN A 504 111.589 -13.878 11.914 1.00 0.00 H new ATOM 1059 N ALA A 505 109.515 -7.871 12.703 1.00 0.00 N ATOM 1060 CA ALA A 505 109.246 -7.578 14.104 1.00 0.00 C ATOM 1061 C ALA A 505 107.768 -7.268 14.347 1.00 0.00 C ATOM 1062 O ALA A 505 107.200 -7.685 15.357 1.00 0.00 O ATOM 1063 CB ALA A 505 110.109 -6.422 14.587 1.00 0.00 C ATOM 0 H ALA A 505 110.106 -7.184 12.234 1.00 0.00 H new ATOM 0 HA ALA A 505 109.498 -8.472 14.674 1.00 0.00 H new ATOM 0 HB1 ALA A 505 109.892 -6.220 15.636 1.00 0.00 H new ATOM 0 HB2 ALA A 505 111.162 -6.683 14.478 1.00 0.00 H new ATOM 0 HB3 ALA A 505 109.892 -5.534 13.994 1.00 0.00 H new ATOM 1069 N VAL A 506 107.151 -6.524 13.430 1.00 0.00 N ATOM 1070 CA VAL A 506 105.741 -6.154 13.572 1.00 0.00 C ATOM 1071 C VAL A 506 104.813 -7.357 13.424 1.00 0.00 C ATOM 1072 O VAL A 506 103.859 -7.511 14.188 1.00 0.00 O ATOM 1073 CB VAL A 506 105.332 -5.089 12.539 1.00 0.00 C ATOM 1074 CG1 VAL A 506 105.650 -5.560 11.128 1.00 0.00 C ATOM 1075 CG2 VAL A 506 103.854 -4.757 12.678 1.00 0.00 C ATOM 0 H VAL A 506 107.600 -6.167 12.586 1.00 0.00 H new ATOM 0 HA VAL A 506 105.637 -5.748 14.578 1.00 0.00 H new ATOM 0 HB VAL A 506 105.907 -4.183 12.730 1.00 0.00 H new ATOM 0 HG11 VAL A 506 105.353 -4.793 10.413 1.00 0.00 H new ATOM 0 HG12 VAL A 506 106.721 -5.745 11.039 1.00 0.00 H new ATOM 0 HG13 VAL A 506 105.104 -6.480 10.920 1.00 0.00 H new ATOM 0 HG21 VAL A 506 103.580 -4.002 11.941 1.00 0.00 H new ATOM 0 HG22 VAL A 506 103.262 -5.657 12.513 1.00 0.00 H new ATOM 0 HG23 VAL A 506 103.660 -4.373 13.680 1.00 0.00 H new ATOM 1085 N ILE A 507 105.088 -8.200 12.436 1.00 0.00 N ATOM 1086 CA ILE A 507 104.262 -9.380 12.194 1.00 0.00 C ATOM 1087 C ILE A 507 104.323 -10.342 13.373 1.00 0.00 C ATOM 1088 O ILE A 507 103.349 -11.030 13.679 1.00 0.00 O ATOM 1089 CB ILE A 507 104.685 -10.128 10.917 1.00 0.00 C ATOM 1090 CG1 ILE A 507 106.194 -10.365 10.904 1.00 0.00 C ATOM 1091 CG2 ILE A 507 104.257 -9.356 9.680 1.00 0.00 C ATOM 1092 CD1 ILE A 507 106.600 -11.703 11.481 1.00 0.00 C ATOM 0 H ILE A 507 105.871 -8.091 11.792 1.00 0.00 H new ATOM 0 HA ILE A 507 103.241 -9.021 12.066 1.00 0.00 H new ATOM 0 HB ILE A 507 104.187 -11.097 10.909 1.00 0.00 H new ATOM 0 HG12 ILE A 507 106.556 -10.296 9.878 1.00 0.00 H new ATOM 0 HG13 ILE A 507 106.683 -9.571 11.469 1.00 0.00 H new ATOM 0 HG21 ILE A 507 104.565 -9.900 8.787 1.00 0.00 H new ATOM 0 HG22 ILE A 507 103.173 -9.241 9.680 1.00 0.00 H new ATOM 0 HG23 ILE A 507 104.726 -8.372 9.685 1.00 0.00 H new ATOM 0 HD11 ILE A 507 107.685 -11.803 11.440 1.00 0.00 H new ATOM 0 HD12 ILE A 507 106.269 -11.768 12.517 1.00 0.00 H new ATOM 0 HD13 ILE A 507 106.139 -12.504 10.902 1.00 0.00 H new ATOM 1104 N ASN A 508 105.467 -10.367 14.041 1.00 0.00 N ATOM 1105 CA ASN A 508 105.646 -11.227 15.201 1.00 0.00 C ATOM 1106 C ASN A 508 104.807 -10.717 16.367 1.00 0.00 C ATOM 1107 O ASN A 508 104.201 -11.493 17.105 1.00 0.00 O ATOM 1108 CB ASN A 508 107.122 -11.279 15.604 1.00 0.00 C ATOM 1109 CG ASN A 508 107.900 -12.319 14.822 1.00 0.00 C ATOM 1110 OD1 ASN A 508 107.693 -13.520 14.988 1.00 0.00 O ATOM 1111 ND2 ASN A 508 108.803 -11.859 13.964 1.00 0.00 N ATOM 0 H ASN A 508 106.283 -9.804 13.801 1.00 0.00 H new ATOM 0 HA ASN A 508 105.318 -12.233 14.940 1.00 0.00 H new ATOM 0 HB2 ASN A 508 107.573 -10.299 15.448 1.00 0.00 H new ATOM 0 HB3 ASN A 508 107.197 -11.498 16.669 1.00 0.00 H new ATOM 0 HD21 ASN A 508 109.359 -12.511 13.410 1.00 0.00 H new ATOM 0 HD22 ASN A 508 108.941 -10.854 13.859 1.00 0.00 H new ATOM 1118 N ALA A 509 104.786 -9.398 16.518 1.00 0.00 N ATOM 1119 CA ALA A 509 104.034 -8.746 17.585 1.00 0.00 C ATOM 1120 C ALA A 509 102.537 -8.700 17.286 1.00 0.00 C ATOM 1121 O ALA A 509 101.718 -8.560 18.195 1.00 0.00 O ATOM 1122 CB ALA A 509 104.555 -7.337 17.827 1.00 0.00 C ATOM 0 H ALA A 509 105.287 -8.752 15.908 1.00 0.00 H new ATOM 0 HA ALA A 509 104.178 -9.343 18.486 1.00 0.00 H new ATOM 0 HB1 ALA A 509 103.980 -6.869 18.626 1.00 0.00 H new ATOM 0 HB2 ALA A 509 105.606 -7.382 18.114 1.00 0.00 H new ATOM 0 HB3 ALA A 509 104.453 -6.750 16.915 1.00 0.00 H new ATOM 1128 N TYR A 510 102.185 -8.785 16.008 1.00 0.00 N ATOM 1129 CA TYR A 510 100.786 -8.716 15.600 1.00 0.00 C ATOM 1130 C TYR A 510 99.947 -9.831 16.205 1.00 0.00 C ATOM 1131 O TYR A 510 98.728 -9.701 16.316 1.00 0.00 O ATOM 1132 CB TYR A 510 100.662 -8.734 14.080 1.00 0.00 C ATOM 1133 CG TYR A 510 100.168 -7.421 13.523 1.00 0.00 C ATOM 1134 CD1 TYR A 510 99.261 -7.378 12.471 1.00 0.00 C ATOM 1135 CD2 TYR A 510 100.615 -6.220 14.055 1.00 0.00 C ATOM 1136 CE1 TYR A 510 98.816 -6.172 11.965 1.00 0.00 C ATOM 1137 CE2 TYR A 510 100.173 -5.010 13.556 1.00 0.00 C ATOM 1138 CZ TYR A 510 99.275 -4.991 12.511 1.00 0.00 C ATOM 1139 OH TYR A 510 98.834 -3.788 12.010 1.00 0.00 O ATOM 0 H TYR A 510 102.845 -8.901 15.239 1.00 0.00 H new ATOM 0 HA TYR A 510 100.397 -7.771 15.981 1.00 0.00 H new ATOM 0 HB2 TYR A 510 101.633 -8.968 13.643 1.00 0.00 H new ATOM 0 HB3 TYR A 510 99.979 -9.530 13.784 1.00 0.00 H new ATOM 0 HD1 TYR A 510 98.899 -8.301 12.043 1.00 0.00 H new ATOM 0 HD2 TYR A 510 101.320 -6.231 14.873 1.00 0.00 H new ATOM 0 HE1 TYR A 510 98.112 -6.154 11.146 1.00 0.00 H new ATOM 0 HE2 TYR A 510 100.529 -4.084 13.983 1.00 0.00 H new ATOM 0 HH TYR A 510 97.883 -3.676 12.217 1.00 0.00 H new ATOM 1149 N THR A 511 100.585 -10.917 16.616 1.00 0.00 N ATOM 1150 CA THR A 511 99.849 -12.014 17.226 1.00 0.00 C ATOM 1151 C THR A 511 98.992 -11.474 18.361 1.00 0.00 C ATOM 1152 O THR A 511 97.892 -11.961 18.622 1.00 0.00 O ATOM 1153 CB THR A 511 100.791 -13.104 17.772 1.00 0.00 C ATOM 1154 OG1 THR A 511 101.466 -12.665 18.958 1.00 0.00 O ATOM 1155 CG2 THR A 511 101.839 -13.487 16.736 1.00 0.00 C ATOM 0 H THR A 511 101.592 -11.062 16.541 1.00 0.00 H new ATOM 0 HA THR A 511 99.224 -12.467 16.457 1.00 0.00 H new ATOM 0 HB THR A 511 100.170 -13.968 18.007 1.00 0.00 H new ATOM 0 HG1 THR A 511 102.055 -13.378 19.282 1.00 0.00 H new ATOM 0 HG21 THR A 511 102.491 -14.258 17.146 1.00 0.00 H new ATOM 0 HG22 THR A 511 101.345 -13.868 15.842 1.00 0.00 H new ATOM 0 HG23 THR A 511 102.432 -12.610 16.477 1.00 0.00 H new ATOM 1163 N GLU A 512 99.524 -10.460 19.037 1.00 0.00 N ATOM 1164 CA GLU A 512 98.839 -9.829 20.161 1.00 0.00 C ATOM 1165 C GLU A 512 97.493 -9.244 19.742 1.00 0.00 C ATOM 1166 O GLU A 512 96.494 -9.401 20.443 1.00 0.00 O ATOM 1167 CB GLU A 512 99.717 -8.730 20.762 1.00 0.00 C ATOM 1168 CG GLU A 512 100.109 -8.986 22.208 1.00 0.00 C ATOM 1169 CD GLU A 512 101.456 -9.669 22.335 1.00 0.00 C ATOM 1170 OE1 GLU A 512 102.472 -9.051 21.953 1.00 0.00 O ATOM 1171 OE2 GLU A 512 101.496 -10.821 22.815 1.00 0.00 O ATOM 0 H GLU A 512 100.435 -10.055 18.823 1.00 0.00 H new ATOM 0 HA GLU A 512 98.653 -10.599 20.910 1.00 0.00 H new ATOM 0 HB2 GLU A 512 100.621 -8.630 20.162 1.00 0.00 H new ATOM 0 HB3 GLU A 512 99.187 -7.779 20.701 1.00 0.00 H new ATOM 0 HG2 GLU A 512 100.134 -8.039 22.747 1.00 0.00 H new ATOM 0 HG3 GLU A 512 99.347 -9.603 22.683 1.00 0.00 H new ATOM 1178 N ILE A 513 97.473 -8.563 18.601 1.00 0.00 N ATOM 1179 CA ILE A 513 96.246 -7.953 18.103 1.00 0.00 C ATOM 1180 C ILE A 513 95.046 -8.850 18.386 1.00 0.00 C ATOM 1181 O ILE A 513 94.006 -8.384 18.852 1.00 0.00 O ATOM 1182 CB ILE A 513 96.320 -7.668 16.587 1.00 0.00 C ATOM 1183 CG1 ILE A 513 97.550 -6.817 16.260 1.00 0.00 C ATOM 1184 CG2 ILE A 513 95.053 -6.971 16.115 1.00 0.00 C ATOM 1185 CD1 ILE A 513 97.468 -5.405 16.796 1.00 0.00 C ATOM 0 H ILE A 513 98.289 -8.420 18.006 1.00 0.00 H new ATOM 0 HA ILE A 513 96.128 -7.005 18.627 1.00 0.00 H new ATOM 0 HB ILE A 513 96.409 -8.619 16.062 1.00 0.00 H new ATOM 0 HG12 ILE A 513 98.436 -7.302 16.670 1.00 0.00 H new ATOM 0 HG13 ILE A 513 97.679 -6.779 15.178 1.00 0.00 H new ATOM 0 HG21 ILE A 513 95.121 -6.777 15.045 1.00 0.00 H new ATOM 0 HG22 ILE A 513 94.191 -7.608 16.314 1.00 0.00 H new ATOM 0 HG23 ILE A 513 94.937 -6.027 16.648 1.00 0.00 H new ATOM 0 HD11 ILE A 513 98.373 -4.861 16.527 1.00 0.00 H new ATOM 0 HD12 ILE A 513 96.601 -4.903 16.367 1.00 0.00 H new ATOM 0 HD13 ILE A 513 97.371 -5.433 17.881 1.00 0.00 H new ATOM 1197 N ASN A 514 95.199 -10.141 18.101 1.00 0.00 N ATOM 1198 CA ASN A 514 94.132 -11.110 18.322 1.00 0.00 C ATOM 1199 C ASN A 514 93.436 -10.874 19.658 1.00 0.00 C ATOM 1200 O ASN A 514 92.241 -11.137 19.799 1.00 0.00 O ATOM 1201 CB ASN A 514 94.695 -12.532 18.277 1.00 0.00 C ATOM 1202 CG ASN A 514 93.620 -13.588 18.447 1.00 0.00 C ATOM 1203 OD1 ASN A 514 93.809 -14.577 19.153 1.00 0.00 O ATOM 1204 ND2 ASN A 514 92.480 -13.381 17.797 1.00 0.00 N ATOM 0 H ASN A 514 96.055 -10.540 17.715 1.00 0.00 H new ATOM 0 HA ASN A 514 93.397 -10.984 17.527 1.00 0.00 H new ATOM 0 HB2 ASN A 514 95.205 -12.687 17.326 1.00 0.00 H new ATOM 0 HB3 ASN A 514 95.442 -12.649 19.062 1.00 0.00 H new ATOM 0 HD21 ASN A 514 91.720 -14.056 17.873 1.00 0.00 H new ATOM 0 HD22 ASN A 514 92.365 -12.547 17.222 1.00 0.00 H new ATOM 1211 N LYS A 515 94.185 -10.380 20.637 1.00 0.00 N ATOM 1212 CA LYS A 515 93.630 -10.112 21.957 1.00 0.00 C ATOM 1213 C LYS A 515 92.301 -9.374 21.840 1.00 0.00 C ATOM 1214 O LYS A 515 91.436 -9.485 22.709 1.00 0.00 O ATOM 1215 CB LYS A 515 94.614 -9.291 22.793 1.00 0.00 C ATOM 1216 CG LYS A 515 95.586 -10.137 23.600 1.00 0.00 C ATOM 1217 CD LYS A 515 94.905 -10.781 24.797 1.00 0.00 C ATOM 1218 CE LYS A 515 95.888 -11.592 25.627 1.00 0.00 C ATOM 1219 NZ LYS A 515 95.720 -11.343 27.086 1.00 0.00 N ATOM 0 H LYS A 515 95.176 -10.158 20.541 1.00 0.00 H new ATOM 0 HA LYS A 515 93.456 -11.066 22.455 1.00 0.00 H new ATOM 0 HB2 LYS A 515 95.180 -8.635 22.131 1.00 0.00 H new ATOM 0 HB3 LYS A 515 94.053 -8.650 23.473 1.00 0.00 H new ATOM 0 HG2 LYS A 515 96.012 -10.912 22.962 1.00 0.00 H new ATOM 0 HG3 LYS A 515 96.413 -9.515 23.942 1.00 0.00 H new ATOM 0 HD2 LYS A 515 94.453 -10.008 25.419 1.00 0.00 H new ATOM 0 HD3 LYS A 515 94.097 -11.427 24.453 1.00 0.00 H new ATOM 0 HE2 LYS A 515 95.748 -12.653 25.421 1.00 0.00 H new ATOM 0 HE3 LYS A 515 96.907 -11.342 25.331 1.00 0.00 H new ATOM 0 HZ1 LYS A 515 96.408 -11.914 27.617 1.00 0.00 H new ATOM 0 HZ2 LYS A 515 95.878 -10.335 27.287 1.00 0.00 H new ATOM 0 HZ3 LYS A 515 94.756 -11.606 27.374 1.00 0.00 H new ATOM 1233 N LYS A 516 92.147 -8.622 20.755 1.00 0.00 N ATOM 1234 CA LYS A 516 90.925 -7.865 20.514 1.00 0.00 C ATOM 1235 C LYS A 516 90.304 -8.246 19.174 1.00 0.00 C ATOM 1236 O LYS A 516 89.101 -8.483 19.081 1.00 0.00 O ATOM 1237 CB LYS A 516 91.217 -6.364 20.547 1.00 0.00 C ATOM 1238 CG LYS A 516 90.000 -5.516 20.881 1.00 0.00 C ATOM 1239 CD LYS A 516 89.273 -6.040 22.108 1.00 0.00 C ATOM 1240 CE LYS A 516 88.160 -7.002 21.725 1.00 0.00 C ATOM 1241 NZ LYS A 516 88.115 -8.187 22.627 1.00 0.00 N ATOM 0 H LYS A 516 92.855 -8.521 20.028 1.00 0.00 H new ATOM 0 HA LYS A 516 90.214 -8.107 21.304 1.00 0.00 H new ATOM 0 HB2 LYS A 516 91.998 -6.170 21.282 1.00 0.00 H new ATOM 0 HB3 LYS A 516 91.609 -6.057 19.577 1.00 0.00 H new ATOM 0 HG2 LYS A 516 90.310 -4.485 21.054 1.00 0.00 H new ATOM 0 HG3 LYS A 516 89.319 -5.506 20.030 1.00 0.00 H new ATOM 0 HD2 LYS A 516 89.982 -6.544 22.765 1.00 0.00 H new ATOM 0 HD3 LYS A 516 88.856 -5.204 22.670 1.00 0.00 H new ATOM 0 HE2 LYS A 516 87.203 -6.482 21.761 1.00 0.00 H new ATOM 0 HE3 LYS A 516 88.305 -7.334 20.697 1.00 0.00 H new ATOM 0 HZ1 LYS A 516 87.834 -9.027 22.082 1.00 0.00 H new ATOM 0 HZ2 LYS A 516 89.055 -8.342 23.043 1.00 0.00 H new ATOM 0 HZ3 LYS A 516 87.424 -8.020 23.386 1.00 0.00 H new ATOM 1255 N HIS A 517 91.136 -8.306 18.138 1.00 0.00 N ATOM 1256 CA HIS A 517 90.669 -8.663 16.803 1.00 0.00 C ATOM 1257 C HIS A 517 91.716 -9.492 16.064 1.00 0.00 C ATOM 1258 O HIS A 517 92.842 -9.043 15.859 1.00 0.00 O ATOM 1259 CB HIS A 517 90.342 -7.405 15.992 1.00 0.00 C ATOM 1260 CG HIS A 517 89.841 -6.261 16.816 1.00 0.00 C ATOM 1261 ND1 HIS A 517 88.510 -5.906 16.878 1.00 0.00 N ATOM 1262 CD2 HIS A 517 90.501 -5.378 17.604 1.00 0.00 C ATOM 1263 CE1 HIS A 517 88.373 -4.854 17.667 1.00 0.00 C ATOM 1264 NE2 HIS A 517 89.565 -4.515 18.119 1.00 0.00 N ATOM 0 H HIS A 517 92.136 -8.112 18.198 1.00 0.00 H new ATOM 0 HA HIS A 517 89.764 -9.260 16.915 1.00 0.00 H new ATOM 0 HB2 HIS A 517 91.237 -7.088 15.456 1.00 0.00 H new ATOM 0 HB3 HIS A 517 89.592 -7.654 15.241 1.00 0.00 H new ATOM 0 HD2 HIS A 517 91.564 -5.357 17.792 1.00 0.00 H new ATOM 0 HE1 HIS A 517 87.443 -4.357 17.902 1.00 0.00 H new ATOM 0 HE2 HIS A 517 89.760 -3.737 18.749 1.00 0.00 H new ATOM 1273 N CYS A 518 91.338 -10.699 15.654 1.00 0.00 N ATOM 1274 CA CYS A 518 92.254 -11.572 14.929 1.00 0.00 C ATOM 1275 C CYS A 518 92.721 -10.892 13.646 1.00 0.00 C ATOM 1276 O CYS A 518 91.937 -10.705 12.714 1.00 0.00 O ATOM 1277 CB CYS A 518 91.579 -12.905 14.599 1.00 0.00 C ATOM 1278 SG CYS A 518 89.948 -12.740 13.838 1.00 0.00 S ATOM 0 H CYS A 518 90.410 -11.093 15.810 1.00 0.00 H new ATOM 0 HA CYS A 518 93.119 -11.768 15.563 1.00 0.00 H new ATOM 0 HB2 CYS A 518 92.225 -13.471 13.928 1.00 0.00 H new ATOM 0 HB3 CYS A 518 91.483 -13.488 15.515 1.00 0.00 H new ATOM 0 HG CYS A 518 89.977 -11.790 12.951 1.00 0.00 H new ATOM 1284 N TRP A 519 93.993 -10.508 13.605 1.00 0.00 N ATOM 1285 CA TRP A 519 94.543 -9.833 12.434 1.00 0.00 C ATOM 1286 C TRP A 519 95.622 -10.654 11.752 1.00 0.00 C ATOM 1287 O TRP A 519 96.356 -11.409 12.391 1.00 0.00 O ATOM 1288 CB TRP A 519 95.103 -8.470 12.822 1.00 0.00 C ATOM 1289 CG TRP A 519 94.659 -7.387 11.896 1.00 0.00 C ATOM 1290 CD1 TRP A 519 94.007 -7.552 10.712 1.00 0.00 C ATOM 1291 CD2 TRP A 519 94.831 -5.977 12.071 1.00 0.00 C ATOM 1292 NE1 TRP A 519 93.757 -6.337 10.138 1.00 0.00 N ATOM 1293 CE2 TRP A 519 94.253 -5.348 10.952 1.00 0.00 C ATOM 1294 CE3 TRP A 519 95.416 -5.186 13.064 1.00 0.00 C ATOM 1295 CZ2 TRP A 519 94.242 -3.962 10.802 1.00 0.00 C ATOM 1296 CZ3 TRP A 519 95.403 -3.814 12.913 1.00 0.00 C ATOM 1297 CH2 TRP A 519 94.820 -3.215 11.790 1.00 0.00 C ATOM 0 H TRP A 519 94.659 -10.651 14.364 1.00 0.00 H new ATOM 0 HA TRP A 519 93.725 -9.706 11.725 1.00 0.00 H new ATOM 0 HB2 TRP A 519 94.789 -8.227 13.837 1.00 0.00 H new ATOM 0 HB3 TRP A 519 96.192 -8.516 12.827 1.00 0.00 H new ATOM 0 HD1 TRP A 519 93.728 -8.505 10.288 1.00 0.00 H new ATOM 0 HE1 TRP A 519 93.279 -6.189 9.249 1.00 0.00 H new ATOM 0 HE3 TRP A 519 95.870 -5.640 13.933 1.00 0.00 H new ATOM 0 HZ2 TRP A 519 93.793 -3.496 9.937 1.00 0.00 H new ATOM 0 HZ3 TRP A 519 95.850 -3.192 13.674 1.00 0.00 H new ATOM 0 HH2 TRP A 519 94.827 -2.139 11.702 1.00 0.00 H new ATOM 1308 N LYS A 520 95.703 -10.491 10.440 1.00 0.00 N ATOM 1309 CA LYS A 520 96.678 -11.198 9.627 1.00 0.00 C ATOM 1310 C LYS A 520 97.750 -10.246 9.109 1.00 0.00 C ATOM 1311 O LYS A 520 97.439 -9.208 8.522 1.00 0.00 O ATOM 1312 CB LYS A 520 95.972 -11.860 8.451 1.00 0.00 C ATOM 1313 CG LYS A 520 94.598 -12.411 8.799 1.00 0.00 C ATOM 1314 CD LYS A 520 94.682 -13.469 9.885 1.00 0.00 C ATOM 1315 CE LYS A 520 93.383 -13.572 10.666 1.00 0.00 C ATOM 1316 NZ LYS A 520 92.231 -13.929 9.791 1.00 0.00 N ATOM 0 H LYS A 520 95.095 -9.866 9.911 1.00 0.00 H new ATOM 0 HA LYS A 520 97.161 -11.955 10.245 1.00 0.00 H new ATOM 0 HB2 LYS A 520 95.870 -11.135 7.644 1.00 0.00 H new ATOM 0 HB3 LYS A 520 96.595 -12.671 8.074 1.00 0.00 H new ATOM 0 HG2 LYS A 520 93.952 -11.598 9.131 1.00 0.00 H new ATOM 0 HG3 LYS A 520 94.140 -12.839 7.907 1.00 0.00 H new ATOM 0 HD2 LYS A 520 94.915 -14.435 9.436 1.00 0.00 H new ATOM 0 HD3 LYS A 520 95.499 -13.229 10.566 1.00 0.00 H new ATOM 0 HE2 LYS A 520 93.490 -14.323 11.449 1.00 0.00 H new ATOM 0 HE3 LYS A 520 93.181 -12.622 11.161 1.00 0.00 H new ATOM 0 HZ1 LYS A 520 91.395 -14.121 10.379 1.00 0.00 H new ATOM 0 HZ2 LYS A 520 92.027 -13.139 9.147 1.00 0.00 H new ATOM 0 HZ3 LYS A 520 92.466 -14.776 9.236 1.00 0.00 H new ATOM 1330 N LEU A 521 99.013 -10.608 9.312 1.00 0.00 N ATOM 1331 CA LEU A 521 100.123 -9.785 8.848 1.00 0.00 C ATOM 1332 C LEU A 521 101.164 -10.634 8.129 1.00 0.00 C ATOM 1333 O LEU A 521 101.861 -11.437 8.749 1.00 0.00 O ATOM 1334 CB LEU A 521 100.775 -9.050 10.020 1.00 0.00 C ATOM 1335 CG LEU A 521 101.293 -7.647 9.699 1.00 0.00 C ATOM 1336 CD1 LEU A 521 100.219 -6.823 9.009 1.00 0.00 C ATOM 1337 CD2 LEU A 521 101.769 -6.951 10.967 1.00 0.00 C ATOM 0 H LEU A 521 99.292 -11.463 9.793 1.00 0.00 H new ATOM 0 HA LEU A 521 99.725 -9.051 8.147 1.00 0.00 H new ATOM 0 HB2 LEU A 521 100.050 -8.976 10.831 1.00 0.00 H new ATOM 0 HB3 LEU A 521 101.606 -9.652 10.389 1.00 0.00 H new ATOM 0 HG LEU A 521 102.140 -7.742 9.019 1.00 0.00 H new ATOM 0 HD11 LEU A 521 100.608 -5.829 8.790 1.00 0.00 H new ATOM 0 HD12 LEU A 521 99.927 -7.312 8.080 1.00 0.00 H new ATOM 0 HD13 LEU A 521 99.351 -6.737 9.662 1.00 0.00 H new ATOM 0 HD21 LEU A 521 102.134 -5.954 10.720 1.00 0.00 H new ATOM 0 HD22 LEU A 521 100.940 -6.870 11.670 1.00 0.00 H new ATOM 0 HD23 LEU A 521 102.574 -7.530 11.420 1.00 0.00 H new ATOM 1349 N GLU A 522 101.265 -10.451 6.816 1.00 0.00 N ATOM 1350 CA GLU A 522 102.223 -11.202 6.014 1.00 0.00 C ATOM 1351 C GLU A 522 103.072 -10.265 5.162 1.00 0.00 C ATOM 1352 O GLU A 522 102.565 -9.303 4.586 1.00 0.00 O ATOM 1353 CB GLU A 522 101.497 -12.207 5.118 1.00 0.00 C ATOM 1354 CG GLU A 522 102.427 -12.985 4.201 1.00 0.00 C ATOM 1355 CD GLU A 522 101.715 -13.547 2.987 1.00 0.00 C ATOM 1356 OE1 GLU A 522 101.186 -12.747 2.186 1.00 0.00 O ATOM 1357 OE2 GLU A 522 101.687 -14.786 2.836 1.00 0.00 O ATOM 0 H GLU A 522 100.696 -9.790 6.286 1.00 0.00 H new ATOM 0 HA GLU A 522 102.881 -11.743 6.694 1.00 0.00 H new ATOM 0 HB2 GLU A 522 100.947 -12.909 5.745 1.00 0.00 H new ATOM 0 HB3 GLU A 522 100.762 -11.677 4.512 1.00 0.00 H new ATOM 0 HG2 GLU A 522 103.236 -12.333 3.873 1.00 0.00 H new ATOM 0 HG3 GLU A 522 102.883 -13.802 4.761 1.00 0.00 H new ATOM 1364 N ILE A 523 104.367 -10.553 5.087 1.00 0.00 N ATOM 1365 CA ILE A 523 105.288 -9.738 4.304 1.00 0.00 C ATOM 1366 C ILE A 523 105.407 -10.260 2.878 1.00 0.00 C ATOM 1367 O ILE A 523 105.834 -11.394 2.656 1.00 0.00 O ATOM 1368 CB ILE A 523 106.689 -9.703 4.943 1.00 0.00 C ATOM 1369 CG1 ILE A 523 106.620 -9.103 6.348 1.00 0.00 C ATOM 1370 CG2 ILE A 523 107.650 -8.912 4.068 1.00 0.00 C ATOM 1371 CD1 ILE A 523 107.837 -9.409 7.194 1.00 0.00 C ATOM 0 H ILE A 523 104.803 -11.345 5.559 1.00 0.00 H new ATOM 0 HA ILE A 523 104.879 -8.728 4.286 1.00 0.00 H new ATOM 0 HB ILE A 523 107.060 -10.725 5.025 1.00 0.00 H new ATOM 0 HG12 ILE A 523 106.505 -8.022 6.268 1.00 0.00 H new ATOM 0 HG13 ILE A 523 105.731 -9.481 6.853 1.00 0.00 H new ATOM 0 HG21 ILE A 523 108.636 -8.896 4.533 1.00 0.00 H new ATOM 0 HG22 ILE A 523 107.719 -9.381 3.087 1.00 0.00 H new ATOM 0 HG23 ILE A 523 107.285 -7.891 3.957 1.00 0.00 H new ATOM 0 HD11 ILE A 523 107.721 -8.953 8.177 1.00 0.00 H new ATOM 0 HD12 ILE A 523 107.941 -10.488 7.305 1.00 0.00 H new ATOM 0 HD13 ILE A 523 108.727 -9.006 6.710 1.00 0.00 H new ATOM 1383 N LEU A 524 105.033 -9.428 1.912 1.00 0.00 N ATOM 1384 CA LEU A 524 105.105 -9.808 0.505 1.00 0.00 C ATOM 1385 C LEU A 524 106.549 -10.068 0.090 1.00 0.00 C ATOM 1386 O LEU A 524 107.465 -9.375 0.534 1.00 0.00 O ATOM 1387 CB LEU A 524 104.499 -8.713 -0.373 1.00 0.00 C ATOM 1388 CG LEU A 524 103.031 -8.922 -0.746 1.00 0.00 C ATOM 1389 CD1 LEU A 524 102.915 -9.784 -1.994 1.00 0.00 C ATOM 1390 CD2 LEU A 524 102.273 -9.552 0.412 1.00 0.00 C ATOM 0 H LEU A 524 104.677 -8.486 2.077 1.00 0.00 H new ATOM 0 HA LEU A 524 104.534 -10.727 0.371 1.00 0.00 H new ATOM 0 HB2 LEU A 524 104.594 -7.759 0.145 1.00 0.00 H new ATOM 0 HB3 LEU A 524 105.084 -8.638 -1.290 1.00 0.00 H new ATOM 0 HG LEU A 524 102.587 -7.950 -0.959 1.00 0.00 H new ATOM 0 HD11 LEU A 524 101.863 -9.922 -2.244 1.00 0.00 H new ATOM 0 HD12 LEU A 524 103.424 -9.293 -2.824 1.00 0.00 H new ATOM 0 HD13 LEU A 524 103.374 -10.755 -1.809 1.00 0.00 H new ATOM 0 HD21 LEU A 524 101.230 -9.694 0.130 1.00 0.00 H new ATOM 0 HD22 LEU A 524 102.717 -10.517 0.656 1.00 0.00 H new ATOM 0 HD23 LEU A 524 102.328 -8.897 1.282 1.00 0.00 H new ATOM 1402 N SER A 525 106.750 -11.081 -0.749 1.00 0.00 N ATOM 1403 CA SER A 525 108.090 -11.441 -1.204 1.00 0.00 C ATOM 1404 C SER A 525 108.072 -11.992 -2.626 1.00 0.00 C ATOM 1405 O SER A 525 107.028 -12.392 -3.139 1.00 0.00 O ATOM 1406 CB SER A 525 108.718 -12.461 -0.253 1.00 0.00 C ATOM 1407 OG SER A 525 109.633 -13.301 -0.936 1.00 0.00 O ATOM 0 H SER A 525 106.004 -11.666 -1.127 1.00 0.00 H new ATOM 0 HA SER A 525 108.693 -10.533 -1.205 1.00 0.00 H new ATOM 0 HB2 SER A 525 109.231 -11.941 0.556 1.00 0.00 H new ATOM 0 HB3 SER A 525 107.935 -13.067 0.204 1.00 0.00 H new ATOM 0 HG SER A 525 110.022 -13.943 -0.305 1.00 0.00 H new ATOM 1413 N GLY A 526 109.246 -12.008 -3.253 1.00 0.00 N ATOM 1414 CA GLY A 526 109.364 -12.514 -4.607 1.00 0.00 C ATOM 1415 C GLY A 526 108.447 -11.802 -5.577 1.00 0.00 C ATOM 1416 O GLY A 526 108.037 -10.667 -5.338 1.00 0.00 O ATOM 0 H GLY A 526 110.120 -11.678 -2.844 1.00 0.00 H new ATOM 0 HA2 GLY A 526 110.396 -12.406 -4.942 1.00 0.00 H new ATOM 0 HA3 GLY A 526 109.136 -13.580 -4.614 1.00 0.00 H new ATOM 1420 N ASP A 527 108.126 -12.471 -6.679 1.00 0.00 N ATOM 1421 CA ASP A 527 107.255 -11.895 -7.691 1.00 0.00 C ATOM 1422 C ASP A 527 106.000 -11.310 -7.056 1.00 0.00 C ATOM 1423 O ASP A 527 105.425 -10.352 -7.569 1.00 0.00 O ATOM 1424 CB ASP A 527 106.875 -12.951 -8.730 1.00 0.00 C ATOM 1425 CG ASP A 527 108.001 -13.236 -9.704 1.00 0.00 C ATOM 1426 OD1 ASP A 527 108.658 -12.272 -10.151 1.00 0.00 O ATOM 1427 OD2 ASP A 527 108.227 -14.424 -10.019 1.00 0.00 O ATOM 0 H ASP A 527 108.457 -13.412 -6.892 1.00 0.00 H new ATOM 0 HA ASP A 527 107.797 -11.090 -8.187 1.00 0.00 H new ATOM 0 HB2 ASP A 527 106.597 -13.874 -8.221 1.00 0.00 H new ATOM 0 HB3 ASP A 527 105.998 -12.614 -9.282 1.00 0.00 H new ATOM 1432 N HIS A 528 105.576 -11.889 -5.935 1.00 0.00 N ATOM 1433 CA HIS A 528 104.388 -11.409 -5.241 1.00 0.00 C ATOM 1434 C HIS A 528 104.593 -9.982 -4.742 1.00 0.00 C ATOM 1435 O HIS A 528 103.724 -9.126 -4.912 1.00 0.00 O ATOM 1436 CB HIS A 528 104.045 -12.329 -4.066 1.00 0.00 C ATOM 1437 CG HIS A 528 102.579 -12.606 -3.935 1.00 0.00 C ATOM 1438 ND1 HIS A 528 101.978 -12.931 -2.737 1.00 0.00 N ATOM 1439 CD2 HIS A 528 101.590 -12.604 -4.862 1.00 0.00 C ATOM 1440 CE1 HIS A 528 100.683 -13.119 -2.932 1.00 0.00 C ATOM 1441 NE2 HIS A 528 100.424 -12.924 -4.212 1.00 0.00 N ATOM 0 H HIS A 528 106.035 -12.685 -5.492 1.00 0.00 H new ATOM 0 HA HIS A 528 103.558 -11.415 -5.948 1.00 0.00 H new ATOM 0 HB2 HIS A 528 104.576 -13.273 -4.187 1.00 0.00 H new ATOM 0 HB3 HIS A 528 104.405 -11.876 -3.142 1.00 0.00 H new ATOM 0 HD2 HIS A 528 101.699 -12.391 -5.915 1.00 0.00 H new ATOM 0 HE1 HIS A 528 99.961 -13.386 -2.174 1.00 0.00 H new ATOM 0 HE2 HIS A 528 99.505 -12.999 -4.648 1.00 0.00 H new ATOM 1450 N GLU A 529 105.749 -9.726 -4.137 1.00 0.00 N ATOM 1451 CA GLU A 529 106.061 -8.393 -3.628 1.00 0.00 C ATOM 1452 C GLU A 529 106.216 -7.410 -4.781 1.00 0.00 C ATOM 1453 O GLU A 529 105.673 -6.302 -4.754 1.00 0.00 O ATOM 1454 CB GLU A 529 107.342 -8.436 -2.787 1.00 0.00 C ATOM 1455 CG GLU A 529 108.104 -7.119 -2.750 1.00 0.00 C ATOM 1456 CD GLU A 529 109.485 -7.263 -2.140 1.00 0.00 C ATOM 1457 OE1 GLU A 529 110.470 -6.868 -2.801 1.00 0.00 O ATOM 1458 OE2 GLU A 529 109.582 -7.769 -1.002 1.00 0.00 O ATOM 0 H GLU A 529 106.482 -10.419 -3.987 1.00 0.00 H new ATOM 0 HA GLU A 529 105.239 -8.058 -2.996 1.00 0.00 H new ATOM 0 HB2 GLU A 529 107.085 -8.724 -1.768 1.00 0.00 H new ATOM 0 HB3 GLU A 529 107.998 -9.212 -3.182 1.00 0.00 H new ATOM 0 HG2 GLU A 529 108.197 -6.728 -3.763 1.00 0.00 H new ATOM 0 HG3 GLU A 529 107.532 -6.388 -2.178 1.00 0.00 H new ATOM 1465 N GLN A 530 106.951 -7.832 -5.802 1.00 0.00 N ATOM 1466 CA GLN A 530 107.171 -6.999 -6.975 1.00 0.00 C ATOM 1467 C GLN A 530 105.849 -6.726 -7.687 1.00 0.00 C ATOM 1468 O GLN A 530 105.625 -5.636 -8.213 1.00 0.00 O ATOM 1469 CB GLN A 530 108.171 -7.668 -7.927 1.00 0.00 C ATOM 1470 CG GLN A 530 107.524 -8.466 -9.050 1.00 0.00 C ATOM 1471 CD GLN A 530 107.232 -7.615 -10.271 1.00 0.00 C ATOM 1472 OE1 GLN A 530 107.881 -6.593 -10.498 1.00 0.00 O ATOM 1473 NE2 GLN A 530 106.252 -8.032 -11.063 1.00 0.00 N ATOM 0 H GLN A 530 107.404 -8.745 -5.841 1.00 0.00 H new ATOM 0 HA GLN A 530 107.591 -6.046 -6.652 1.00 0.00 H new ATOM 0 HB2 GLN A 530 108.810 -6.900 -8.363 1.00 0.00 H new ATOM 0 HB3 GLN A 530 108.817 -8.331 -7.351 1.00 0.00 H new ATOM 0 HG2 GLN A 530 108.181 -9.289 -9.333 1.00 0.00 H new ATOM 0 HG3 GLN A 530 106.596 -8.909 -8.689 1.00 0.00 H new ATOM 0 HE21 GLN A 530 105.741 -8.885 -10.836 1.00 0.00 H new ATOM 0 HE22 GLN A 530 106.010 -7.500 -11.899 1.00 0.00 H new ATOM 1482 N ARG A 531 104.978 -7.730 -7.692 1.00 0.00 N ATOM 1483 CA ARG A 531 103.675 -7.614 -8.331 1.00 0.00 C ATOM 1484 C ARG A 531 102.866 -6.484 -7.700 1.00 0.00 C ATOM 1485 O ARG A 531 102.358 -5.607 -8.400 1.00 0.00 O ATOM 1486 CB ARG A 531 102.921 -8.948 -8.229 1.00 0.00 C ATOM 1487 CG ARG A 531 101.419 -8.808 -8.019 1.00 0.00 C ATOM 1488 CD ARG A 531 100.798 -7.870 -9.040 1.00 0.00 C ATOM 1489 NE ARG A 531 99.801 -8.545 -9.865 1.00 0.00 N ATOM 1490 CZ ARG A 531 98.870 -7.905 -10.564 1.00 0.00 C ATOM 1491 NH1 ARG A 531 98.807 -6.580 -10.534 1.00 0.00 N ATOM 1492 NH2 ARG A 531 97.999 -8.590 -11.292 1.00 0.00 N ATOM 0 H ARG A 531 105.154 -8.636 -7.258 1.00 0.00 H new ATOM 0 HA ARG A 531 103.820 -7.375 -9.385 1.00 0.00 H new ATOM 0 HB2 ARG A 531 103.096 -9.521 -9.140 1.00 0.00 H new ATOM 0 HB3 ARG A 531 103.339 -9.525 -7.404 1.00 0.00 H new ATOM 0 HG2 ARG A 531 100.948 -9.788 -8.090 1.00 0.00 H new ATOM 0 HG3 ARG A 531 101.225 -8.433 -7.014 1.00 0.00 H new ATOM 0 HD2 ARG A 531 100.334 -7.029 -8.525 1.00 0.00 H new ATOM 0 HD3 ARG A 531 101.580 -7.460 -9.679 1.00 0.00 H new ATOM 0 HE ARG A 531 99.820 -9.564 -9.907 1.00 0.00 H new ATOM 0 HH11 ARG A 531 99.474 -6.050 -9.973 1.00 0.00 H new ATOM 0 HH12 ARG A 531 98.091 -6.091 -11.072 1.00 0.00 H new ATOM 0 HH21 ARG A 531 98.044 -9.609 -11.316 1.00 0.00 H new ATOM 0 HH22 ARG A 531 97.284 -8.098 -11.829 1.00 0.00 H new ATOM 1506 N TYR A 532 102.753 -6.504 -6.375 1.00 0.00 N ATOM 1507 CA TYR A 532 102.009 -5.473 -5.668 1.00 0.00 C ATOM 1508 C TYR A 532 102.553 -4.094 -6.014 1.00 0.00 C ATOM 1509 O TYR A 532 101.792 -3.158 -6.265 1.00 0.00 O ATOM 1510 CB TYR A 532 102.075 -5.699 -4.157 1.00 0.00 C ATOM 1511 CG TYR A 532 101.413 -4.600 -3.362 1.00 0.00 C ATOM 1512 CD1 TYR A 532 102.081 -3.412 -3.105 1.00 0.00 C ATOM 1513 CD2 TYR A 532 100.120 -4.744 -2.874 1.00 0.00 C ATOM 1514 CE1 TYR A 532 101.482 -2.397 -2.384 1.00 0.00 C ATOM 1515 CE2 TYR A 532 99.513 -3.735 -2.152 1.00 0.00 C ATOM 1516 CZ TYR A 532 100.199 -2.563 -1.910 1.00 0.00 C ATOM 1517 OH TYR A 532 99.599 -1.553 -1.196 1.00 0.00 O ATOM 0 H TYR A 532 103.165 -7.219 -5.775 1.00 0.00 H new ATOM 0 HA TYR A 532 100.967 -5.529 -5.982 1.00 0.00 H new ATOM 0 HB2 TYR A 532 101.599 -6.650 -3.917 1.00 0.00 H new ATOM 0 HB3 TYR A 532 103.119 -5.780 -3.853 1.00 0.00 H new ATOM 0 HD1 TYR A 532 103.087 -3.278 -3.475 1.00 0.00 H new ATOM 0 HD2 TYR A 532 99.580 -5.660 -3.062 1.00 0.00 H new ATOM 0 HE1 TYR A 532 102.017 -1.478 -2.193 1.00 0.00 H new ATOM 0 HE2 TYR A 532 98.507 -3.863 -1.779 1.00 0.00 H new ATOM 0 HH TYR A 532 98.978 -1.066 -1.777 1.00 0.00 H new ATOM 1527 N TRP A 533 103.876 -3.976 -6.046 1.00 0.00 N ATOM 1528 CA TRP A 533 104.510 -2.709 -6.381 1.00 0.00 C ATOM 1529 C TRP A 533 104.142 -2.286 -7.795 1.00 0.00 C ATOM 1530 O TRP A 533 103.847 -1.118 -8.047 1.00 0.00 O ATOM 1531 CB TRP A 533 106.024 -2.807 -6.223 1.00 0.00 C ATOM 1532 CG TRP A 533 106.467 -2.515 -4.826 1.00 0.00 C ATOM 1533 CD1 TRP A 533 106.863 -3.418 -3.886 1.00 0.00 C ATOM 1534 CD2 TRP A 533 106.540 -1.226 -4.204 1.00 0.00 C ATOM 1535 NE1 TRP A 533 107.179 -2.773 -2.716 1.00 0.00 N ATOM 1536 CE2 TRP A 533 106.991 -1.425 -2.886 1.00 0.00 C ATOM 1537 CE3 TRP A 533 106.269 0.075 -4.636 1.00 0.00 C ATOM 1538 CZ2 TRP A 533 107.178 -0.370 -1.997 1.00 0.00 C ATOM 1539 CZ3 TRP A 533 106.454 1.121 -3.752 1.00 0.00 C ATOM 1540 CH2 TRP A 533 106.904 0.894 -2.445 1.00 0.00 C ATOM 0 H TRP A 533 104.525 -4.737 -5.845 1.00 0.00 H new ATOM 0 HA TRP A 533 104.145 -1.949 -5.691 1.00 0.00 H new ATOM 0 HB2 TRP A 533 106.353 -3.807 -6.505 1.00 0.00 H new ATOM 0 HB3 TRP A 533 106.505 -2.109 -6.908 1.00 0.00 H new ATOM 0 HD1 TRP A 533 106.920 -4.486 -4.039 1.00 0.00 H new ATOM 0 HE1 TRP A 533 107.501 -3.223 -1.859 1.00 0.00 H new ATOM 0 HE3 TRP A 533 105.922 0.260 -5.642 1.00 0.00 H new ATOM 0 HZ2 TRP A 533 107.527 -0.543 -0.990 1.00 0.00 H new ATOM 0 HZ3 TRP A 533 106.248 2.131 -4.074 1.00 0.00 H new ATOM 0 HH2 TRP A 533 107.037 1.733 -1.778 1.00 0.00 H new ATOM 1551 N GLN A 534 104.140 -3.247 -8.715 1.00 0.00 N ATOM 1552 CA GLN A 534 103.782 -2.965 -10.096 1.00 0.00 C ATOM 1553 C GLN A 534 102.450 -2.231 -10.133 1.00 0.00 C ATOM 1554 O GLN A 534 102.291 -1.238 -10.843 1.00 0.00 O ATOM 1555 CB GLN A 534 103.689 -4.261 -10.901 1.00 0.00 C ATOM 1556 CG GLN A 534 105.036 -4.771 -11.393 1.00 0.00 C ATOM 1557 CD GLN A 534 105.075 -4.960 -12.897 1.00 0.00 C ATOM 1558 OE1 GLN A 534 105.257 -6.073 -13.389 1.00 0.00 O ATOM 1559 NE2 GLN A 534 104.905 -3.870 -13.636 1.00 0.00 N ATOM 0 H GLN A 534 104.381 -4.220 -8.528 1.00 0.00 H new ATOM 0 HA GLN A 534 104.555 -2.339 -10.542 1.00 0.00 H new ATOM 0 HB2 GLN A 534 103.222 -5.029 -10.284 1.00 0.00 H new ATOM 0 HB3 GLN A 534 103.036 -4.100 -11.759 1.00 0.00 H new ATOM 0 HG2 GLN A 534 105.816 -4.068 -11.099 1.00 0.00 H new ATOM 0 HG3 GLN A 534 105.261 -5.720 -10.906 1.00 0.00 H new ATOM 0 HE21 GLN A 534 104.757 -2.967 -13.186 1.00 0.00 H new ATOM 0 HE22 GLN A 534 104.922 -3.936 -14.654 1.00 0.00 H new ATOM 1568 N LYS A 535 101.501 -2.721 -9.341 1.00 0.00 N ATOM 1569 CA LYS A 535 100.186 -2.108 -9.256 1.00 0.00 C ATOM 1570 C LYS A 535 100.315 -0.686 -8.716 1.00 0.00 C ATOM 1571 O LYS A 535 99.615 0.224 -9.159 1.00 0.00 O ATOM 1572 CB LYS A 535 99.265 -2.953 -8.362 1.00 0.00 C ATOM 1573 CG LYS A 535 98.318 -2.142 -7.488 1.00 0.00 C ATOM 1574 CD LYS A 535 98.979 -1.750 -6.176 1.00 0.00 C ATOM 1575 CE LYS A 535 98.332 -2.454 -4.993 1.00 0.00 C ATOM 1576 NZ LYS A 535 97.707 -1.489 -4.046 1.00 0.00 N ATOM 0 H LYS A 535 101.622 -3.543 -8.749 1.00 0.00 H new ATOM 0 HA LYS A 535 99.744 -2.062 -10.251 1.00 0.00 H new ATOM 0 HB2 LYS A 535 98.676 -3.618 -8.994 1.00 0.00 H new ATOM 0 HB3 LYS A 535 99.881 -3.584 -7.721 1.00 0.00 H new ATOM 0 HG2 LYS A 535 98.004 -1.245 -8.022 1.00 0.00 H new ATOM 0 HG3 LYS A 535 97.418 -2.723 -7.285 1.00 0.00 H new ATOM 0 HD2 LYS A 535 100.040 -1.999 -6.213 1.00 0.00 H new ATOM 0 HD3 LYS A 535 98.910 -0.671 -6.041 1.00 0.00 H new ATOM 0 HE2 LYS A 535 97.575 -3.150 -5.354 1.00 0.00 H new ATOM 0 HE3 LYS A 535 99.082 -3.044 -4.467 1.00 0.00 H new ATOM 0 HZ1 LYS A 535 97.292 -2.007 -3.246 1.00 0.00 H new ATOM 0 HZ2 LYS A 535 98.430 -0.830 -3.694 1.00 0.00 H new ATOM 0 HZ3 LYS A 535 96.961 -0.955 -4.536 1.00 0.00 H new ATOM 1590 N ILE A 536 101.227 -0.504 -7.764 1.00 0.00 N ATOM 1591 CA ILE A 536 101.460 0.808 -7.175 1.00 0.00 C ATOM 1592 C ILE A 536 101.874 1.808 -8.249 1.00 0.00 C ATOM 1593 O ILE A 536 101.167 2.782 -8.512 1.00 0.00 O ATOM 1594 CB ILE A 536 102.553 0.763 -6.087 1.00 0.00 C ATOM 1595 CG1 ILE A 536 102.066 -0.021 -4.865 1.00 0.00 C ATOM 1596 CG2 ILE A 536 102.958 2.173 -5.687 1.00 0.00 C ATOM 1597 CD1 ILE A 536 103.062 -0.037 -3.724 1.00 0.00 C ATOM 0 H ILE A 536 101.814 -1.248 -7.386 1.00 0.00 H new ATOM 0 HA ILE A 536 100.523 1.121 -6.714 1.00 0.00 H new ATOM 0 HB ILE A 536 103.425 0.253 -6.495 1.00 0.00 H new ATOM 0 HG12 ILE A 536 101.130 0.413 -4.514 1.00 0.00 H new ATOM 0 HG13 ILE A 536 101.850 -1.047 -5.163 1.00 0.00 H new ATOM 0 HG21 ILE A 536 103.730 2.126 -4.919 1.00 0.00 H new ATOM 0 HG22 ILE A 536 103.345 2.701 -6.558 1.00 0.00 H new ATOM 0 HG23 ILE A 536 102.090 2.704 -5.297 1.00 0.00 H new ATOM 0 HD11 ILE A 536 102.653 -0.609 -2.892 1.00 0.00 H new ATOM 0 HD12 ILE A 536 103.991 -0.498 -4.059 1.00 0.00 H new ATOM 0 HD13 ILE A 536 103.260 0.985 -3.399 1.00 0.00 H new ATOM 1609 N LEU A 537 103.020 1.554 -8.873 1.00 0.00 N ATOM 1610 CA LEU A 537 103.527 2.426 -9.927 1.00 0.00 C ATOM 1611 C LEU A 537 102.426 2.737 -10.934 1.00 0.00 C ATOM 1612 O LEU A 537 102.147 3.903 -11.229 1.00 0.00 O ATOM 1613 CB LEU A 537 104.715 1.769 -10.635 1.00 0.00 C ATOM 1614 CG LEU A 537 106.092 2.286 -10.213 1.00 0.00 C ATOM 1615 CD1 LEU A 537 106.075 3.800 -10.077 1.00 0.00 C ATOM 1616 CD2 LEU A 537 106.531 1.637 -8.907 1.00 0.00 C ATOM 0 H LEU A 537 103.615 0.752 -8.667 1.00 0.00 H new ATOM 0 HA LEU A 537 103.860 3.359 -9.473 1.00 0.00 H new ATOM 0 HB2 LEU A 537 104.677 0.695 -10.454 1.00 0.00 H new ATOM 0 HB3 LEU A 537 104.603 1.915 -11.709 1.00 0.00 H new ATOM 0 HG LEU A 537 106.811 2.018 -10.988 1.00 0.00 H new ATOM 0 HD11 LEU A 537 107.063 4.149 -9.776 1.00 0.00 H new ATOM 0 HD12 LEU A 537 105.807 4.248 -11.034 1.00 0.00 H new ATOM 0 HD13 LEU A 537 105.343 4.089 -9.323 1.00 0.00 H new ATOM 0 HD21 LEU A 537 107.512 2.017 -8.624 1.00 0.00 H new ATOM 0 HD22 LEU A 537 105.810 1.872 -8.124 1.00 0.00 H new ATOM 0 HD23 LEU A 537 106.585 0.556 -9.038 1.00 0.00 H new ATOM 1628 N VAL A 538 101.797 1.689 -11.454 1.00 0.00 N ATOM 1629 CA VAL A 538 100.722 1.851 -12.422 1.00 0.00 C ATOM 1630 C VAL A 538 99.673 2.820 -11.897 1.00 0.00 C ATOM 1631 O VAL A 538 99.136 3.639 -12.643 1.00 0.00 O ATOM 1632 CB VAL A 538 100.047 0.505 -12.744 1.00 0.00 C ATOM 1633 CG1 VAL A 538 98.971 0.687 -13.802 1.00 0.00 C ATOM 1634 CG2 VAL A 538 101.080 -0.517 -13.192 1.00 0.00 C ATOM 0 H VAL A 538 102.014 0.720 -11.221 1.00 0.00 H new ATOM 0 HA VAL A 538 101.166 2.248 -13.335 1.00 0.00 H new ATOM 0 HB VAL A 538 99.571 0.132 -11.837 1.00 0.00 H new ATOM 0 HG11 VAL A 538 98.505 -0.275 -14.016 1.00 0.00 H new ATOM 0 HG12 VAL A 538 98.216 1.383 -13.437 1.00 0.00 H new ATOM 0 HG13 VAL A 538 99.420 1.084 -14.713 1.00 0.00 H new ATOM 0 HG21 VAL A 538 100.584 -1.462 -13.415 1.00 0.00 H new ATOM 0 HG22 VAL A 538 101.588 -0.154 -14.086 1.00 0.00 H new ATOM 0 HG23 VAL A 538 101.810 -0.669 -12.397 1.00 0.00 H new ATOM 1644 N ASP A 539 99.392 2.727 -10.600 1.00 0.00 N ATOM 1645 CA ASP A 539 98.415 3.600 -9.967 1.00 0.00 C ATOM 1646 C ASP A 539 98.881 5.050 -10.018 1.00 0.00 C ATOM 1647 O ASP A 539 98.076 5.966 -10.186 1.00 0.00 O ATOM 1648 CB ASP A 539 98.181 3.176 -8.517 1.00 0.00 C ATOM 1649 CG ASP A 539 97.014 3.908 -7.883 1.00 0.00 C ATOM 1650 OD1 ASP A 539 96.102 4.328 -8.626 1.00 0.00 O ATOM 1651 OD2 ASP A 539 97.011 4.061 -6.643 1.00 0.00 O ATOM 0 H ASP A 539 99.829 2.055 -9.969 1.00 0.00 H new ATOM 0 HA ASP A 539 97.476 3.515 -10.514 1.00 0.00 H new ATOM 0 HB2 ASP A 539 97.996 2.102 -8.480 1.00 0.00 H new ATOM 0 HB3 ASP A 539 99.084 3.364 -7.936 1.00 0.00 H new ATOM 1656 N ARG A 540 100.188 5.251 -9.874 1.00 0.00 N ATOM 1657 CA ARG A 540 100.759 6.592 -9.908 1.00 0.00 C ATOM 1658 C ARG A 540 100.497 7.245 -11.260 1.00 0.00 C ATOM 1659 O ARG A 540 100.151 8.424 -11.333 1.00 0.00 O ATOM 1660 CB ARG A 540 102.266 6.535 -9.637 1.00 0.00 C ATOM 1661 CG ARG A 540 102.731 7.501 -8.561 1.00 0.00 C ATOM 1662 CD ARG A 540 103.010 6.783 -7.250 1.00 0.00 C ATOM 1663 NE ARG A 540 104.320 7.128 -6.705 1.00 0.00 N ATOM 1664 CZ ARG A 540 104.842 6.552 -5.627 1.00 0.00 C ATOM 1665 NH1 ARG A 540 104.174 5.596 -4.996 1.00 0.00 N ATOM 1666 NH2 ARG A 540 106.031 6.929 -5.180 1.00 0.00 N ATOM 0 H ARG A 540 100.869 4.505 -9.733 1.00 0.00 H new ATOM 0 HA ARG A 540 100.284 7.190 -9.131 1.00 0.00 H new ATOM 0 HB2 ARG A 540 102.535 5.521 -9.343 1.00 0.00 H new ATOM 0 HB3 ARG A 540 102.801 6.751 -10.562 1.00 0.00 H new ATOM 0 HG2 ARG A 540 103.633 8.013 -8.896 1.00 0.00 H new ATOM 0 HG3 ARG A 540 101.970 8.266 -8.404 1.00 0.00 H new ATOM 0 HD2 ARG A 540 102.237 7.039 -6.525 1.00 0.00 H new ATOM 0 HD3 ARG A 540 102.955 5.706 -7.408 1.00 0.00 H new ATOM 0 HE ARG A 540 104.864 7.850 -7.177 1.00 0.00 H new ATOM 0 HH11 ARG A 540 103.259 5.302 -5.338 1.00 0.00 H new ATOM 0 HH12 ARG A 540 104.575 5.154 -4.169 1.00 0.00 H new ATOM 0 HH21 ARG A 540 106.548 7.663 -5.663 1.00 0.00 H new ATOM 0 HH22 ARG A 540 106.429 6.485 -4.352 1.00 0.00 H new ATOM 1680 N GLN A 541 100.655 6.467 -12.327 1.00 0.00 N ATOM 1681 CA GLN A 541 100.421 6.971 -13.676 1.00 0.00 C ATOM 1682 C GLN A 541 98.959 7.368 -13.857 1.00 0.00 C ATOM 1683 O GLN A 541 98.652 8.415 -14.426 1.00 0.00 O ATOM 1684 CB GLN A 541 100.803 5.913 -14.713 1.00 0.00 C ATOM 1685 CG GLN A 541 102.239 6.025 -15.197 1.00 0.00 C ATOM 1686 CD GLN A 541 103.229 6.162 -14.056 1.00 0.00 C ATOM 1687 OE1 GLN A 541 103.145 7.090 -13.253 1.00 0.00 O ATOM 1688 NE2 GLN A 541 104.174 5.232 -13.979 1.00 0.00 N ATOM 0 H GLN A 541 100.943 5.489 -12.284 1.00 0.00 H new ATOM 0 HA GLN A 541 101.044 7.854 -13.822 1.00 0.00 H new ATOM 0 HB2 GLN A 541 100.650 4.923 -14.283 1.00 0.00 H new ATOM 0 HB3 GLN A 541 100.133 5.996 -15.568 1.00 0.00 H new ATOM 0 HG2 GLN A 541 102.490 5.143 -15.787 1.00 0.00 H new ATOM 0 HG3 GLN A 541 102.330 6.887 -15.858 1.00 0.00 H new ATOM 0 HE21 GLN A 541 104.206 4.480 -14.667 1.00 0.00 H new ATOM 0 HE22 GLN A 541 104.867 5.270 -13.232 1.00 0.00 H new ATOM 1697 N ALA A 542 98.061 6.519 -13.363 1.00 0.00 N ATOM 1698 CA ALA A 542 96.628 6.770 -13.461 1.00 0.00 C ATOM 1699 C ALA A 542 96.232 8.016 -12.677 1.00 0.00 C ATOM 1700 O ALA A 542 95.251 8.685 -13.004 1.00 0.00 O ATOM 1701 CB ALA A 542 95.835 5.567 -12.974 1.00 0.00 C ATOM 0 H ALA A 542 98.303 5.649 -12.889 1.00 0.00 H new ATOM 0 HA ALA A 542 96.393 6.940 -14.512 1.00 0.00 H new ATOM 0 HB1 ALA A 542 94.769 5.777 -13.056 1.00 0.00 H new ATOM 0 HB2 ALA A 542 96.082 4.698 -13.583 1.00 0.00 H new ATOM 0 HB3 ALA A 542 96.086 5.363 -11.933 1.00 0.00 H new ATOM 1707 N LYS A 543 96.997 8.316 -11.632 1.00 0.00 N ATOM 1708 CA LYS A 543 96.725 9.475 -10.789 1.00 0.00 C ATOM 1709 C LYS A 543 96.755 10.770 -11.597 1.00 0.00 C ATOM 1710 O LYS A 543 96.304 11.814 -11.127 1.00 0.00 O ATOM 1711 CB LYS A 543 97.744 9.550 -9.651 1.00 0.00 C ATOM 1712 CG LYS A 543 97.129 9.376 -8.273 1.00 0.00 C ATOM 1713 CD LYS A 543 97.950 8.429 -7.414 1.00 0.00 C ATOM 1714 CE LYS A 543 97.119 7.252 -6.933 1.00 0.00 C ATOM 1715 NZ LYS A 543 96.676 7.424 -5.522 1.00 0.00 N ATOM 0 H LYS A 543 97.812 7.771 -11.348 1.00 0.00 H new ATOM 0 HA LYS A 543 95.725 9.357 -10.373 1.00 0.00 H new ATOM 0 HB2 LYS A 543 98.502 8.781 -9.801 1.00 0.00 H new ATOM 0 HB3 LYS A 543 98.254 10.513 -9.694 1.00 0.00 H new ATOM 0 HG2 LYS A 543 97.056 10.346 -7.780 1.00 0.00 H new ATOM 0 HG3 LYS A 543 96.114 8.992 -8.372 1.00 0.00 H new ATOM 0 HD2 LYS A 543 98.803 8.064 -7.986 1.00 0.00 H new ATOM 0 HD3 LYS A 543 98.350 8.969 -6.555 1.00 0.00 H new ATOM 0 HE2 LYS A 543 96.246 7.137 -7.576 1.00 0.00 H new ATOM 0 HE3 LYS A 543 97.703 6.336 -7.021 1.00 0.00 H new ATOM 0 HZ1 LYS A 543 96.112 6.600 -5.232 1.00 0.00 H new ATOM 0 HZ2 LYS A 543 97.509 7.508 -4.905 1.00 0.00 H new ATOM 0 HZ3 LYS A 543 96.098 8.285 -5.442 1.00 0.00 H new ATOM 1729 N LEU A 544 97.292 10.697 -12.809 1.00 0.00 N ATOM 1730 CA LEU A 544 97.382 11.868 -13.673 1.00 0.00 C ATOM 1731 C LEU A 544 96.049 12.608 -13.735 1.00 0.00 C ATOM 1732 O LEU A 544 96.014 13.833 -13.855 1.00 0.00 O ATOM 1733 CB LEU A 544 97.815 11.459 -15.083 1.00 0.00 C ATOM 1734 CG LEU A 544 98.950 12.295 -15.677 1.00 0.00 C ATOM 1735 CD1 LEU A 544 98.551 13.760 -15.753 1.00 0.00 C ATOM 1736 CD2 LEU A 544 100.219 12.130 -14.856 1.00 0.00 C ATOM 0 H LEU A 544 97.671 9.842 -13.215 1.00 0.00 H new ATOM 0 HA LEU A 544 98.130 12.539 -13.250 1.00 0.00 H new ATOM 0 HB2 LEU A 544 98.125 10.414 -15.063 1.00 0.00 H new ATOM 0 HB3 LEU A 544 96.952 11.523 -15.745 1.00 0.00 H new ATOM 0 HG LEU A 544 99.146 11.940 -16.689 1.00 0.00 H new ATOM 0 HD11 LEU A 544 99.371 14.339 -16.178 1.00 0.00 H new ATOM 0 HD12 LEU A 544 97.668 13.864 -16.384 1.00 0.00 H new ATOM 0 HD13 LEU A 544 98.327 14.129 -14.752 1.00 0.00 H new ATOM 0 HD21 LEU A 544 101.016 12.732 -15.293 1.00 0.00 H new ATOM 0 HD22 LEU A 544 100.036 12.458 -13.833 1.00 0.00 H new ATOM 0 HD23 LEU A 544 100.516 11.081 -14.853 1.00 0.00 H new ATOM 1748 N ASN A 545 94.954 11.858 -13.656 1.00 0.00 N ATOM 1749 CA ASN A 545 93.619 12.447 -13.709 1.00 0.00 C ATOM 1750 C ASN A 545 93.113 12.789 -12.311 1.00 0.00 C ATOM 1751 O ASN A 545 92.355 12.027 -11.710 1.00 0.00 O ATOM 1752 CB ASN A 545 92.644 11.492 -14.400 1.00 0.00 C ATOM 1753 CG ASN A 545 92.104 12.060 -15.696 1.00 0.00 C ATOM 1754 OD1 ASN A 545 90.894 12.212 -15.866 1.00 0.00 O ATOM 1755 ND2 ASN A 545 93.002 12.380 -16.622 1.00 0.00 N ATOM 0 H ASN A 545 94.964 10.843 -13.555 1.00 0.00 H new ATOM 0 HA ASN A 545 93.682 13.370 -14.285 1.00 0.00 H new ATOM 0 HB2 ASN A 545 93.147 10.546 -14.602 1.00 0.00 H new ATOM 0 HB3 ASN A 545 91.814 11.274 -13.728 1.00 0.00 H new ATOM 0 HD21 ASN A 545 92.698 12.768 -17.515 1.00 0.00 H new ATOM 0 HD22 ASN A 545 93.995 12.238 -16.440 1.00 0.00 H new ATOM 1762 N GLN A 546 93.533 13.943 -11.801 1.00 0.00 N ATOM 1763 CA GLN A 546 93.119 14.391 -10.475 1.00 0.00 C ATOM 1764 C GLN A 546 93.845 13.614 -9.381 1.00 0.00 C ATOM 1765 O GLN A 546 93.245 12.791 -8.689 1.00 0.00 O ATOM 1766 CB GLN A 546 91.607 14.232 -10.311 1.00 0.00 C ATOM 1767 CG GLN A 546 90.936 15.425 -9.647 1.00 0.00 C ATOM 1768 CD GLN A 546 90.568 16.514 -10.637 1.00 0.00 C ATOM 1769 OE1 GLN A 546 89.520 16.455 -11.281 1.00 0.00 O ATOM 1770 NE2 GLN A 546 91.431 17.515 -10.763 1.00 0.00 N ATOM 0 H GLN A 546 94.160 14.585 -12.286 1.00 0.00 H new ATOM 0 HA GLN A 546 93.381 15.445 -10.379 1.00 0.00 H new ATOM 0 HB2 GLN A 546 91.159 14.073 -11.292 1.00 0.00 H new ATOM 0 HB3 GLN A 546 91.406 13.338 -9.720 1.00 0.00 H new ATOM 0 HG2 GLN A 546 90.037 15.090 -9.130 1.00 0.00 H new ATOM 0 HG3 GLN A 546 91.603 15.838 -8.890 1.00 0.00 H new ATOM 0 HE21 GLN A 546 92.287 17.523 -10.209 1.00 0.00 H new ATOM 0 HE22 GLN A 546 91.238 18.276 -11.414 1.00 0.00 H new ATOM 1779 N PRO A 547 95.151 13.866 -9.213 1.00 0.00 N ATOM 1780 CA PRO A 547 95.965 13.190 -8.202 1.00 0.00 C ATOM 1781 C PRO A 547 95.789 13.796 -6.812 1.00 0.00 C ATOM 1782 O PRO A 547 96.368 14.836 -6.499 1.00 0.00 O ATOM 1783 CB PRO A 547 97.387 13.418 -8.708 1.00 0.00 C ATOM 1784 CG PRO A 547 97.325 14.730 -9.411 1.00 0.00 C ATOM 1785 CD PRO A 547 95.941 14.832 -10.002 1.00 0.00 C ATOM 0 HA PRO A 547 95.694 12.141 -8.086 1.00 0.00 H new ATOM 0 HB2 PRO A 547 98.102 13.441 -7.886 1.00 0.00 H new ATOM 0 HB3 PRO A 547 97.702 12.621 -9.382 1.00 0.00 H new ATOM 0 HG2 PRO A 547 97.513 15.551 -8.719 1.00 0.00 H new ATOM 0 HG3 PRO A 547 98.085 14.789 -10.190 1.00 0.00 H new ATOM 0 HD2 PRO A 547 95.542 15.842 -9.914 1.00 0.00 H new ATOM 0 HD3 PRO A 547 95.939 14.580 -11.062 1.00 0.00 H new ATOM 1793 N ARG A 548 94.987 13.137 -5.981 1.00 0.00 N ATOM 1794 CA ARG A 548 94.735 13.608 -4.624 1.00 0.00 C ATOM 1795 C ARG A 548 94.479 15.111 -4.607 1.00 0.00 C ATOM 1796 O ARG A 548 94.343 15.738 -5.658 1.00 0.00 O ATOM 1797 CB ARG A 548 95.922 13.268 -3.719 1.00 0.00 C ATOM 1798 CG ARG A 548 95.979 11.803 -3.320 1.00 0.00 C ATOM 1799 CD ARG A 548 96.425 11.634 -1.877 1.00 0.00 C ATOM 1800 NE ARG A 548 97.594 10.767 -1.764 1.00 0.00 N ATOM 1801 CZ ARG A 548 98.793 11.082 -2.243 1.00 0.00 C ATOM 1802 NH1 ARG A 548 98.982 12.241 -2.857 1.00 0.00 N ATOM 1803 NH2 ARG A 548 99.805 10.237 -2.105 1.00 0.00 N ATOM 0 H ARG A 548 94.500 12.274 -6.224 1.00 0.00 H new ATOM 0 HA ARG A 548 93.844 13.105 -4.249 1.00 0.00 H new ATOM 0 HB2 ARG A 548 96.847 13.533 -4.231 1.00 0.00 H new ATOM 0 HB3 ARG A 548 95.869 13.880 -2.819 1.00 0.00 H new ATOM 0 HG2 ARG A 548 94.996 11.350 -3.453 1.00 0.00 H new ATOM 0 HG3 ARG A 548 96.666 11.272 -3.979 1.00 0.00 H new ATOM 0 HD2 ARG A 548 96.656 12.611 -1.452 1.00 0.00 H new ATOM 0 HD3 ARG A 548 95.606 11.217 -1.291 1.00 0.00 H new ATOM 0 HE ARG A 548 97.485 9.870 -1.291 1.00 0.00 H new ATOM 0 HH11 ARG A 548 98.206 12.894 -2.963 1.00 0.00 H new ATOM 0 HH12 ARG A 548 99.903 12.480 -3.223 1.00 0.00 H new ATOM 0 HH21 ARG A 548 99.664 9.345 -1.631 1.00 0.00 H new ATOM 0 HH22 ARG A 548 100.725 10.479 -2.473 1.00 0.00 H new ATOM 1817 N GLU A 549 94.411 15.685 -3.409 1.00 0.00 N ATOM 1818 CA GLU A 549 94.167 17.115 -3.262 1.00 0.00 C ATOM 1819 C GLU A 549 92.944 17.537 -4.068 1.00 0.00 C ATOM 1820 O GLU A 549 92.848 18.678 -4.520 1.00 0.00 O ATOM 1821 CB GLU A 549 95.393 17.912 -3.714 1.00 0.00 C ATOM 1822 CG GLU A 549 96.373 18.213 -2.591 1.00 0.00 C ATOM 1823 CD GLU A 549 97.804 17.874 -2.960 1.00 0.00 C ATOM 1824 OE1 GLU A 549 98.726 18.361 -2.274 1.00 0.00 O ATOM 1825 OE2 GLU A 549 98.002 17.118 -3.935 1.00 0.00 O ATOM 0 H GLU A 549 94.521 15.182 -2.528 1.00 0.00 H new ATOM 0 HA GLU A 549 93.978 17.324 -2.209 1.00 0.00 H new ATOM 0 HB2 GLU A 549 95.910 17.355 -4.496 1.00 0.00 H new ATOM 0 HB3 GLU A 549 95.062 18.851 -4.157 1.00 0.00 H new ATOM 0 HG2 GLU A 549 96.309 19.270 -2.331 1.00 0.00 H new ATOM 0 HG3 GLU A 549 96.087 17.649 -1.703 1.00 0.00 H new ATOM 1832 N LYS A 550 92.014 16.604 -4.248 1.00 0.00 N ATOM 1833 CA LYS A 550 90.796 16.869 -5.006 1.00 0.00 C ATOM 1834 C LYS A 550 89.801 17.687 -4.185 1.00 0.00 C ATOM 1835 O LYS A 550 88.701 17.987 -4.649 1.00 0.00 O ATOM 1836 CB LYS A 550 90.153 15.552 -5.449 1.00 0.00 C ATOM 1837 CG LYS A 550 89.034 15.728 -6.462 1.00 0.00 C ATOM 1838 CD LYS A 550 88.077 14.546 -6.443 1.00 0.00 C ATOM 1839 CE LYS A 550 86.654 14.973 -6.766 1.00 0.00 C ATOM 1840 NZ LYS A 550 86.460 15.208 -8.223 1.00 0.00 N ATOM 0 H LYS A 550 92.081 15.656 -3.878 1.00 0.00 H new ATOM 0 HA LYS A 550 91.067 17.450 -5.887 1.00 0.00 H new ATOM 0 HB2 LYS A 550 90.922 14.909 -5.878 1.00 0.00 H new ATOM 0 HB3 LYS A 550 89.760 15.037 -4.572 1.00 0.00 H new ATOM 0 HG2 LYS A 550 88.486 16.645 -6.245 1.00 0.00 H new ATOM 0 HG3 LYS A 550 89.459 15.838 -7.460 1.00 0.00 H new ATOM 0 HD2 LYS A 550 88.406 13.799 -7.165 1.00 0.00 H new ATOM 0 HD3 LYS A 550 88.102 14.073 -5.461 1.00 0.00 H new ATOM 0 HE2 LYS A 550 85.959 14.205 -6.427 1.00 0.00 H new ATOM 0 HE3 LYS A 550 86.415 15.884 -6.217 1.00 0.00 H new ATOM 0 HZ1 LYS A 550 85.477 15.497 -8.400 1.00 0.00 H new ATOM 0 HZ2 LYS A 550 87.105 15.959 -8.542 1.00 0.00 H new ATOM 0 HZ3 LYS A 550 86.663 14.332 -8.746 1.00 0.00 H new ATOM 1854 N LYS A 551 90.191 18.047 -2.966 1.00 0.00 N ATOM 1855 CA LYS A 551 89.326 18.832 -2.092 1.00 0.00 C ATOM 1856 C LYS A 551 88.104 18.026 -1.667 1.00 0.00 C ATOM 1857 O LYS A 551 87.386 17.480 -2.506 1.00 0.00 O ATOM 1858 CB LYS A 551 88.878 20.112 -2.800 1.00 0.00 C ATOM 1859 CG LYS A 551 90.022 21.048 -3.151 1.00 0.00 C ATOM 1860 CD LYS A 551 90.416 21.909 -1.962 1.00 0.00 C ATOM 1861 CE LYS A 551 89.447 23.063 -1.763 1.00 0.00 C ATOM 1862 NZ LYS A 551 89.927 24.022 -0.731 1.00 0.00 N ATOM 0 H LYS A 551 91.097 17.809 -2.562 1.00 0.00 H new ATOM 0 HA LYS A 551 89.897 19.094 -1.201 1.00 0.00 H new ATOM 0 HB2 LYS A 551 88.346 19.845 -3.713 1.00 0.00 H new ATOM 0 HB3 LYS A 551 88.170 20.641 -2.162 1.00 0.00 H new ATOM 0 HG2 LYS A 551 90.882 20.466 -3.482 1.00 0.00 H new ATOM 0 HG3 LYS A 551 89.729 21.687 -3.984 1.00 0.00 H new ATOM 0 HD2 LYS A 551 90.443 21.296 -1.061 1.00 0.00 H new ATOM 0 HD3 LYS A 551 91.422 22.300 -2.112 1.00 0.00 H new ATOM 0 HE2 LYS A 551 89.308 23.587 -2.709 1.00 0.00 H new ATOM 0 HE3 LYS A 551 88.473 22.672 -1.469 1.00 0.00 H new ATOM 0 HZ1 LYS A 551 89.237 24.793 -0.626 1.00 0.00 H new ATOM 0 HZ2 LYS A 551 90.035 23.528 0.178 1.00 0.00 H new ATOM 0 HZ3 LYS A 551 90.845 24.415 -1.023 1.00 0.00 H new ATOM 1876 N ARG A 552 87.867 17.961 -0.360 1.00 0.00 N ATOM 1877 CA ARG A 552 86.725 17.228 0.173 1.00 0.00 C ATOM 1878 C ARG A 552 85.432 17.701 -0.483 1.00 0.00 C ATOM 1879 O ARG A 552 84.870 18.725 -0.096 1.00 0.00 O ATOM 1880 CB ARG A 552 86.636 17.407 1.690 1.00 0.00 C ATOM 1881 CG ARG A 552 85.827 16.322 2.385 1.00 0.00 C ATOM 1882 CD ARG A 552 84.710 16.914 3.230 1.00 0.00 C ATOM 1883 NE ARG A 552 83.402 16.382 2.858 1.00 0.00 N ATOM 1884 CZ ARG A 552 82.964 15.181 3.222 1.00 0.00 C ATOM 1885 NH1 ARG A 552 83.726 14.393 3.968 1.00 0.00 N ATOM 1886 NH2 ARG A 552 81.762 14.767 2.840 1.00 0.00 N ATOM 0 H ARG A 552 88.450 18.407 0.348 1.00 0.00 H new ATOM 0 HA ARG A 552 86.865 16.170 -0.050 1.00 0.00 H new ATOM 0 HB2 ARG A 552 87.644 17.420 2.106 1.00 0.00 H new ATOM 0 HB3 ARG A 552 86.189 18.377 1.907 1.00 0.00 H new ATOM 0 HG2 ARG A 552 85.403 15.649 1.640 1.00 0.00 H new ATOM 0 HG3 ARG A 552 86.485 15.725 3.016 1.00 0.00 H new ATOM 0 HD2 ARG A 552 84.901 16.704 4.282 1.00 0.00 H new ATOM 0 HD3 ARG A 552 84.706 17.998 3.117 1.00 0.00 H new ATOM 0 HE ARG A 552 82.790 16.965 2.287 1.00 0.00 H new ATOM 0 HH11 ARG A 552 84.650 14.708 4.264 1.00 0.00 H new ATOM 0 HH12 ARG A 552 83.388 13.472 4.246 1.00 0.00 H new ATOM 0 HH21 ARG A 552 81.173 15.371 2.266 1.00 0.00 H new ATOM 0 HH22 ARG A 552 81.427 13.845 3.120 1.00 0.00 H new ATOM 1900 N GLY A 553 84.972 16.953 -1.482 1.00 0.00 N ATOM 1901 CA GLY A 553 83.752 17.313 -2.180 1.00 0.00 C ATOM 1902 C GLY A 553 82.728 17.963 -1.269 1.00 0.00 C ATOM 1903 O GLY A 553 82.316 17.375 -0.270 1.00 0.00 O ATOM 0 H GLY A 553 85.424 16.103 -1.820 1.00 0.00 H new ATOM 0 HA2 GLY A 553 83.992 17.995 -2.995 1.00 0.00 H new ATOM 0 HA3 GLY A 553 83.318 16.420 -2.629 1.00 0.00 H new ATOM 1907 N THR A 554 82.319 19.179 -1.615 1.00 0.00 N ATOM 1908 CA THR A 554 81.339 19.908 -0.821 1.00 0.00 C ATOM 1909 C THR A 554 79.924 19.423 -1.118 1.00 0.00 C ATOM 1910 O THR A 554 79.069 19.389 -0.233 1.00 0.00 O ATOM 1911 CB THR A 554 81.414 21.423 -1.086 1.00 0.00 C ATOM 1912 OG1 THR A 554 80.425 22.134 -0.329 1.00 0.00 O ATOM 1913 CG2 THR A 554 81.201 21.725 -2.562 1.00 0.00 C ATOM 0 H THR A 554 82.651 19.679 -2.439 1.00 0.00 H new ATOM 0 HA THR A 554 81.576 19.718 0.226 1.00 0.00 H new ATOM 0 HB THR A 554 82.408 21.751 -0.780 1.00 0.00 H new ATOM 0 HG1 THR A 554 80.497 23.093 -0.516 1.00 0.00 H new ATOM 0 HG21 THR A 554 81.258 22.801 -2.725 1.00 0.00 H new ATOM 0 HG22 THR A 554 81.972 21.227 -3.150 1.00 0.00 H new ATOM 0 HG23 THR A 554 80.220 21.363 -2.870 1.00 0.00 H new ATOM 1921 N GLU A 555 79.686 19.048 -2.371 1.00 0.00 N ATOM 1922 CA GLU A 555 78.376 18.563 -2.788 1.00 0.00 C ATOM 1923 C GLU A 555 77.942 17.373 -1.936 1.00 0.00 C ATOM 1924 O GLU A 555 78.562 17.071 -0.917 1.00 0.00 O ATOM 1925 CB GLU A 555 78.403 18.171 -4.267 1.00 0.00 C ATOM 1926 CG GLU A 555 77.871 19.255 -5.190 1.00 0.00 C ATOM 1927 CD GLU A 555 77.920 18.854 -6.652 1.00 0.00 C ATOM 1928 OE1 GLU A 555 77.467 19.650 -7.501 1.00 0.00 O ATOM 1929 OE2 GLU A 555 78.412 17.746 -6.947 1.00 0.00 O ATOM 0 H GLU A 555 80.384 19.071 -3.115 1.00 0.00 H new ATOM 0 HA GLU A 555 77.653 19.367 -2.648 1.00 0.00 H new ATOM 0 HB2 GLU A 555 79.427 17.932 -4.553 1.00 0.00 H new ATOM 0 HB3 GLU A 555 77.813 17.265 -4.406 1.00 0.00 H new ATOM 0 HG2 GLU A 555 76.842 19.488 -4.915 1.00 0.00 H new ATOM 0 HG3 GLU A 555 78.453 20.166 -5.047 1.00 0.00 H new ATOM 1936 N LYS A 556 76.874 16.703 -2.359 1.00 0.00 N ATOM 1937 CA LYS A 556 76.362 15.549 -1.627 1.00 0.00 C ATOM 1938 C LYS A 556 76.234 15.870 -0.141 1.00 0.00 C ATOM 1939 O LYS A 556 77.102 15.518 0.657 1.00 0.00 O ATOM 1940 CB LYS A 556 77.284 14.345 -1.821 1.00 0.00 C ATOM 1941 CG LYS A 556 76.552 13.013 -1.815 1.00 0.00 C ATOM 1942 CD LYS A 556 75.574 12.910 -2.973 1.00 0.00 C ATOM 1943 CE LYS A 556 74.799 11.603 -2.930 1.00 0.00 C ATOM 1944 NZ LYS A 556 74.296 11.303 -1.560 1.00 0.00 N ATOM 0 H LYS A 556 76.348 16.938 -3.201 1.00 0.00 H new ATOM 0 HA LYS A 556 75.374 15.306 -2.019 1.00 0.00 H new ATOM 0 HB2 LYS A 556 77.816 14.454 -2.766 1.00 0.00 H new ATOM 0 HB3 LYS A 556 78.035 14.341 -1.031 1.00 0.00 H new ATOM 0 HG2 LYS A 556 77.275 12.199 -1.874 1.00 0.00 H new ATOM 0 HG3 LYS A 556 76.016 12.895 -0.873 1.00 0.00 H new ATOM 0 HD2 LYS A 556 74.878 13.748 -2.939 1.00 0.00 H new ATOM 0 HD3 LYS A 556 76.116 12.983 -3.916 1.00 0.00 H new ATOM 0 HE2 LYS A 556 73.959 11.656 -3.622 1.00 0.00 H new ATOM 0 HE3 LYS A 556 75.440 10.789 -3.268 1.00 0.00 H new ATOM 0 HZ1 LYS A 556 73.471 10.673 -1.623 1.00 0.00 H new ATOM 0 HZ2 LYS A 556 75.045 10.838 -1.009 1.00 0.00 H new ATOM 0 HZ3 LYS A 556 74.020 12.189 -1.090 1.00 0.00 H new ATOM 1958 N LEU A 557 75.148 16.545 0.221 1.00 0.00 N ATOM 1959 CA LEU A 557 74.909 16.921 1.608 1.00 0.00 C ATOM 1960 C LEU A 557 73.930 15.963 2.279 1.00 0.00 C ATOM 1961 O LEU A 557 72.991 16.391 2.950 1.00 0.00 O ATOM 1962 CB LEU A 557 74.366 18.349 1.678 1.00 0.00 C ATOM 1963 CG LEU A 557 73.240 18.659 0.690 1.00 0.00 C ATOM 1964 CD1 LEU A 557 72.005 19.154 1.427 1.00 0.00 C ATOM 1965 CD2 LEU A 557 73.697 19.684 -0.337 1.00 0.00 C ATOM 0 H LEU A 557 74.420 16.843 -0.428 1.00 0.00 H new ATOM 0 HA LEU A 557 75.859 16.867 2.140 1.00 0.00 H new ATOM 0 HB2 LEU A 557 74.004 18.535 2.689 1.00 0.00 H new ATOM 0 HB3 LEU A 557 75.187 19.044 1.500 1.00 0.00 H new ATOM 0 HG LEU A 557 72.981 17.740 0.165 1.00 0.00 H new ATOM 0 HD11 LEU A 557 71.214 19.370 0.708 1.00 0.00 H new ATOM 0 HD12 LEU A 557 71.664 18.387 2.122 1.00 0.00 H new ATOM 0 HD13 LEU A 557 72.250 20.061 1.980 1.00 0.00 H new ATOM 0 HD21 LEU A 557 72.883 19.892 -1.031 1.00 0.00 H new ATOM 0 HD22 LEU A 557 73.985 20.605 0.171 1.00 0.00 H new ATOM 0 HD23 LEU A 557 74.552 19.291 -0.888 1.00 0.00 H new ATOM 1977 N ILE A 558 74.156 14.667 2.096 1.00 0.00 N ATOM 1978 CA ILE A 558 73.291 13.653 2.688 1.00 0.00 C ATOM 1979 C ILE A 558 74.048 12.352 2.937 1.00 0.00 C ATOM 1980 O ILE A 558 74.727 11.836 2.049 1.00 0.00 O ATOM 1981 CB ILE A 558 72.073 13.358 1.793 1.00 0.00 C ATOM 1982 CG1 ILE A 558 71.599 14.636 1.099 1.00 0.00 C ATOM 1983 CG2 ILE A 558 70.951 12.749 2.619 1.00 0.00 C ATOM 1984 CD1 ILE A 558 70.252 14.497 0.424 1.00 0.00 C ATOM 0 H ILE A 558 74.929 14.294 1.544 1.00 0.00 H new ATOM 0 HA ILE A 558 72.946 14.056 3.640 1.00 0.00 H new ATOM 0 HB ILE A 558 72.367 12.641 1.026 1.00 0.00 H new ATOM 0 HG12 ILE A 558 71.546 15.440 1.833 1.00 0.00 H new ATOM 0 HG13 ILE A 558 72.339 14.931 0.356 1.00 0.00 H new ATOM 0 HG21 ILE A 558 70.095 12.545 1.976 1.00 0.00 H new ATOM 0 HG22 ILE A 558 71.295 11.819 3.071 1.00 0.00 H new ATOM 0 HG23 ILE A 558 70.657 13.446 3.403 1.00 0.00 H new ATOM 0 HD11 ILE A 558 69.981 15.442 -0.046 1.00 0.00 H new ATOM 0 HD12 ILE A 558 70.304 13.716 -0.335 1.00 0.00 H new ATOM 0 HD13 ILE A 558 69.499 14.232 1.166 1.00 0.00 H new ATOM 1996 N THR A 559 73.923 11.828 4.152 1.00 0.00 N ATOM 1997 CA THR A 559 74.590 10.588 4.525 1.00 0.00 C ATOM 1998 C THR A 559 73.676 9.706 5.371 1.00 0.00 C ATOM 1999 O THR A 559 72.692 10.182 5.938 1.00 0.00 O ATOM 2000 CB THR A 559 75.886 10.859 5.308 1.00 0.00 C ATOM 2001 OG1 THR A 559 76.098 12.264 5.497 1.00 0.00 O ATOM 2002 CG2 THR A 559 77.091 10.286 4.578 1.00 0.00 C ATOM 0 H THR A 559 73.364 12.245 4.896 1.00 0.00 H new ATOM 0 HA THR A 559 74.836 10.071 3.597 1.00 0.00 H new ATOM 0 HB THR A 559 75.775 10.375 6.278 1.00 0.00 H new ATOM 0 HG1 THR A 559 76.928 12.405 5.999 1.00 0.00 H new ATOM 0 HG21 THR A 559 77.995 10.491 5.152 1.00 0.00 H new ATOM 0 HG22 THR A 559 76.969 9.209 4.465 1.00 0.00 H new ATOM 0 HG23 THR A 559 77.174 10.747 3.594 1.00 0.00 H new ATOM 2010 N LYS A 560 74.008 8.423 5.451 1.00 0.00 N ATOM 2011 CA LYS A 560 73.216 7.477 6.229 1.00 0.00 C ATOM 2012 C LYS A 560 74.093 6.725 7.226 1.00 0.00 C ATOM 2013 O LYS A 560 73.999 6.941 8.434 1.00 0.00 O ATOM 2014 CB LYS A 560 72.509 6.486 5.301 1.00 0.00 C ATOM 2015 CG LYS A 560 71.284 5.836 5.925 1.00 0.00 C ATOM 2016 CD LYS A 560 70.351 5.276 4.864 1.00 0.00 C ATOM 2017 CE LYS A 560 69.000 4.904 5.451 1.00 0.00 C ATOM 2018 NZ LYS A 560 68.544 3.563 4.989 1.00 0.00 N ATOM 0 H LYS A 560 74.819 8.014 4.987 1.00 0.00 H new ATOM 0 HA LYS A 560 72.466 8.039 6.785 1.00 0.00 H new ATOM 0 HB2 LYS A 560 72.211 7.004 4.389 1.00 0.00 H new ATOM 0 HB3 LYS A 560 73.214 5.708 5.009 1.00 0.00 H new ATOM 0 HG2 LYS A 560 71.597 5.036 6.595 1.00 0.00 H new ATOM 0 HG3 LYS A 560 70.750 6.569 6.531 1.00 0.00 H new ATOM 0 HD2 LYS A 560 70.215 6.013 4.072 1.00 0.00 H new ATOM 0 HD3 LYS A 560 70.805 4.397 4.406 1.00 0.00 H new ATOM 0 HE2 LYS A 560 69.063 4.911 6.539 1.00 0.00 H new ATOM 0 HE3 LYS A 560 68.262 5.655 5.169 1.00 0.00 H new ATOM 0 HZ1 LYS A 560 67.619 3.346 5.412 1.00 0.00 H new ATOM 0 HZ2 LYS A 560 68.460 3.563 3.952 1.00 0.00 H new ATOM 0 HZ3 LYS A 560 69.235 2.842 5.280 1.00 0.00 H new ATOM 2032 N ALA A 561 74.948 5.847 6.713 1.00 0.00 N ATOM 2033 CA ALA A 561 75.843 5.069 7.560 1.00 0.00 C ATOM 2034 C ALA A 561 77.183 4.835 6.871 1.00 0.00 C ATOM 2035 O ALA A 561 77.864 3.849 7.223 1.00 0.00 O ATOM 2036 CB ALA A 561 75.211 3.739 7.944 1.00 0.00 C ATOM 2037 OXT ALA A 561 77.541 5.640 5.986 1.00 0.00 O ATOM 0 H ALA A 561 75.040 5.657 5.715 1.00 0.00 H new ATOM 0 HA ALA A 561 76.018 5.644 8.469 1.00 0.00 H new ATOM 0 HB1 ALA A 561 75.899 3.178 8.576 1.00 0.00 H new ATOM 0 HB2 ALA A 561 74.284 3.920 8.489 1.00 0.00 H new ATOM 0 HB3 ALA A 561 74.996 3.165 7.043 1.00 0.00 H new TER 2043 ALA A 561