USER MOD reduce.3.24.130724 H: found=0, std=0, add=1133, rem=0, adj=40 USER MOD reduce.3.24.130724 removed 1131 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 624 MET CE :methyl -139:sc= -0.558 (180deg=-2.27!) USER MOD Set 1.2: A 644 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 565 LYS NZ :NH3+ -123:sc= 0.533 (180deg=0.0194) USER MOD Set 2.2: A 576 TYR OH : rot 180:sc= 0.367 USER MOD Set 3.1: A 557 MET CE :methyl -123:sc= -2.71 (180deg=-5.76!) USER MOD Set 3.2: A 561 GLN : amide:sc= -2.11 K(o=-4.8,f=-6.7) USER MOD Set 4.1: A 550 CYS SG : rot 68:sc= 0.173 USER MOD Set 4.2: A 585 SER OG : rot 57:sc= 0.433 USER MOD Set 4.3: A 612 THR OG1 : rot 99:sc= 0.311 USER MOD Set 5.1: A 536 MET CE :methyl -158:sc= -1.26 (180deg=-2.25) USER MOD Set 5.2: A 547 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 5.3: A 605 THR OG1 : rot 126:sc= 0.287 USER MOD Set 5.4: A 606 MET CE :methyl -167:sc= 0 (180deg=-0.185) USER MOD Single : A -1 MET CE :methyl 171:sc= -0.013 (180deg=-0.156) USER MOD Single : A -2 HIS :FLIP no HD1:sc= -0.0722 F(o=-0.62,f=-0.072) USER MOD Single : A -3 SER OG : rot 180:sc= 0.0446 USER MOD Single : A -4 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 516 SER OG : rot 180:sc= 0 USER MOD Single : A 520 ASN : amide:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 522 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 528 THR OG1 : rot 180:sc= 0 USER MOD Single : A 530 SER OG : rot 180:sc= 0.102 USER MOD Single : A 532 ASN : amide:sc= -0.211 X(o=-0.21,f=-0.14) USER MOD Single : A 539 HIS : no HD1:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 543 THR OG1 : rot -64:sc= 0.682 USER MOD Single : A 545 LYS NZ :NH3+ 180:sc= 1.07 (180deg=1.07) USER MOD Single : A 551 MET CE :methyl -175:sc= 0 (180deg=-0.0129) USER MOD Single : A 559 THR OG1 : rot 180:sc= 0 USER MOD Single : A 563 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 564 TYR OH : rot 180:sc= 0 USER MOD Single : A 568 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 570 GLN :FLIP amide:sc= -3.48! C(o=-8.2!,f=-3.5!) USER MOD Single : A 583 TYR OH : rot 180:sc= -0.0858 USER MOD Single : A 584 THR OG1 : rot 37:sc= 0.052 USER MOD Single : A 586 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 591 SER OG : rot -150:sc= -0.0183 USER MOD Single : A 594 THR OG1 : rot 180:sc= 0 USER MOD Single : A 595 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 597 ASN : amide:sc= -0.183 K(o=-0.18,f=-4.4!) USER MOD Single : A 598 SER OG : rot 180:sc= 0 USER MOD Single : A 600 ASN : amide:sc= 0.266 K(o=0.27,f=-0.73) USER MOD Single : A 610 TYR OH : rot 180:sc= 0 USER MOD Single : A 613 HIS : no HE2:sc= 0.21 K(o=0.21,f=-4.3!) USER MOD Single : A 616 ASN : amide:sc= 0.102 K(o=0.1,f=-4.3!) USER MOD Single : A 623 CYS SG : rot 140:sc=-0.00957 USER MOD Single : A 626 SER OG : rot 180:sc= 0 USER MOD Single : A 628 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 634 SER OG : rot 55:sc= 1.21 USER MOD Single : A 636 SER OG : rot 180:sc= 0.0464 USER MOD Single : A 637 SER OG : rot 180:sc= 0 USER MOD Single : A 642 THR OG1 : rot 180:sc= 0 USER MOD Single : A 643 THR OG1 : rot 80:sc= 1.12 USER MOD Single : A 645 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 647 TYR OH : rot 180:sc= 0 USER MOD Single : A 649 THR OG1 : rot 95:sc= 1.21 USER MOD Single : A 650 SER OG : rot 64:sc= 1.31 USER MOD Single : A 651 SER OG : rot -44:sc= 0.483 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -4 -20.485 -4.029 -13.636 1.00 0.00 N ATOM 2 CA GLY A -4 -20.137 -3.637 -15.007 1.00 0.00 C ATOM 3 C GLY A -4 -20.716 -2.272 -15.295 1.00 0.00 C ATOM 4 O GLY A -4 -20.248 -1.288 -14.721 1.00 0.00 O ATOM 0 H1 GLY A -4 -20.089 -4.969 -13.432 1.00 0.00 H new ATOM 0 H2 GLY A -4 -20.094 -3.336 -12.967 1.00 0.00 H new ATOM 0 H3 GLY A -4 -21.520 -4.061 -13.536 1.00 0.00 H new ATOM 0 HA2 GLY A -4 -19.054 -3.619 -15.129 1.00 0.00 H new ATOM 0 HA3 GLY A -4 -20.526 -4.367 -15.717 1.00 0.00 H new ATOM 8 N SER A -3 -21.723 -2.200 -16.164 1.00 0.00 N ATOM 9 CA SER A -3 -22.387 -0.970 -16.570 1.00 0.00 C ATOM 10 C SER A -3 -22.861 -0.203 -15.328 1.00 0.00 C ATOM 11 O SER A -3 -23.765 -0.676 -14.640 1.00 0.00 O ATOM 12 CB SER A -3 -23.549 -1.330 -17.511 1.00 0.00 C ATOM 13 OG SER A -3 -23.184 -2.399 -18.369 1.00 0.00 O ATOM 0 H SER A -3 -22.110 -3.027 -16.618 1.00 0.00 H new ATOM 0 HA SER A -3 -21.700 -0.316 -17.108 1.00 0.00 H new ATOM 0 HB2 SER A -3 -24.425 -1.609 -16.926 1.00 0.00 H new ATOM 0 HB3 SER A -3 -23.827 -0.459 -18.104 1.00 0.00 H new ATOM 0 HG SER A -3 -23.936 -2.616 -18.959 1.00 0.00 H new ATOM 19 N HIS A -2 -22.203 0.912 -14.996 1.00 0.00 N ATOM 20 CA HIS A -2 -22.505 1.839 -13.903 1.00 0.00 C ATOM 21 C HIS A -2 -21.925 3.198 -14.287 1.00 0.00 C ATOM 22 O HIS A -2 -22.687 4.152 -14.399 1.00 0.00 O ATOM 23 CB HIS A -2 -21.909 1.396 -12.546 1.00 0.00 C ATOM 24 CG HIS A -2 -22.715 0.425 -11.706 1.00 0.00 C ATOM 25 ND1 HIS A -2 -24.029 0.076 -11.866 1.00 0.00 N flip ATOM 26 CD2 HIS A -2 -22.258 -0.192 -10.554 1.00 0.00 C flip ATOM 27 CE1 HIS A -2 -24.346 -0.799 -10.846 1.00 0.00 C flip ATOM 28 NE2 HIS A -2 -23.267 -0.929 -10.053 1.00 0.00 N flip ATOM 0 H HIS A -2 -21.384 1.212 -15.525 1.00 0.00 H new ATOM 0 HA HIS A -2 -23.586 1.871 -13.769 1.00 0.00 H new ATOM 0 HB2 HIS A -2 -20.935 0.945 -12.738 1.00 0.00 H new ATOM 0 HB3 HIS A -2 -21.733 2.291 -11.949 1.00 0.00 H new ATOM 0 HD2 HIS A -2 -21.268 -0.099 -10.132 1.00 0.00 H new ATOM 0 HE1 HIS A -2 -25.296 -1.294 -10.708 1.00 0.00 H new ATOM 0 HE2 HIS A -2 -23.221 -1.496 -9.206 1.00 0.00 H new ATOM 37 N MET A -1 -20.603 3.271 -14.495 1.00 0.00 N ATOM 38 CA MET A -1 -19.840 4.473 -14.838 1.00 0.00 C ATOM 39 C MET A -1 -20.136 5.641 -13.889 1.00 0.00 C ATOM 40 O MET A -1 -21.012 6.471 -14.148 1.00 0.00 O ATOM 41 CB MET A -1 -20.057 4.821 -16.317 1.00 0.00 C ATOM 42 CG MET A -1 -19.201 5.998 -16.792 1.00 0.00 C ATOM 43 SD MET A -1 -17.412 5.831 -16.535 1.00 0.00 S ATOM 44 CE MET A -1 -17.090 4.330 -17.503 1.00 0.00 C ATOM 0 H MET A -1 -20.007 2.446 -14.424 1.00 0.00 H new ATOM 0 HA MET A -1 -18.779 4.265 -14.701 1.00 0.00 H new ATOM 0 HB2 MET A -1 -19.830 3.946 -16.926 1.00 0.00 H new ATOM 0 HB3 MET A -1 -21.109 5.057 -16.477 1.00 0.00 H new ATOM 0 HG2 MET A -1 -19.383 6.149 -17.856 1.00 0.00 H new ATOM 0 HG3 MET A -1 -19.540 6.899 -16.280 1.00 0.00 H new ATOM 0 HE1 MET A -1 -16.014 4.174 -17.585 1.00 0.00 H new ATOM 0 HE2 MET A -1 -17.544 3.473 -17.007 1.00 0.00 H new ATOM 0 HE3 MET A -1 -17.518 4.441 -18.499 1.00 0.00 H new ATOM 54 N VAL A 513 -19.417 5.699 -12.765 1.00 0.00 N ATOM 55 CA VAL A 513 -19.616 6.775 -11.797 1.00 0.00 C ATOM 56 C VAL A 513 -19.120 8.105 -12.384 1.00 0.00 C ATOM 57 O VAL A 513 -18.243 8.137 -13.256 1.00 0.00 O ATOM 58 CB VAL A 513 -19.005 6.390 -10.431 1.00 0.00 C ATOM 59 CG1 VAL A 513 -17.473 6.387 -10.406 1.00 0.00 C ATOM 60 CG2 VAL A 513 -19.513 7.293 -9.302 1.00 0.00 C ATOM 0 H VAL A 513 -18.700 5.021 -12.507 1.00 0.00 H new ATOM 0 HA VAL A 513 -20.677 6.924 -11.597 1.00 0.00 H new ATOM 0 HB VAL A 513 -19.339 5.365 -10.271 1.00 0.00 H new ATOM 0 HG11 VAL A 513 -17.126 6.106 -9.412 1.00 0.00 H new ATOM 0 HG12 VAL A 513 -17.099 5.670 -11.137 1.00 0.00 H new ATOM 0 HG13 VAL A 513 -17.103 7.382 -10.652 1.00 0.00 H new ATOM 0 HG21 VAL A 513 -19.059 6.988 -8.359 1.00 0.00 H new ATOM 0 HG22 VAL A 513 -19.245 8.328 -9.515 1.00 0.00 H new ATOM 0 HG23 VAL A 513 -20.597 7.207 -9.227 1.00 0.00 H new ATOM 70 N LEU A 514 -19.681 9.212 -11.901 1.00 0.00 N ATOM 71 CA LEU A 514 -19.308 10.566 -12.297 1.00 0.00 C ATOM 72 C LEU A 514 -18.412 11.174 -11.212 1.00 0.00 C ATOM 73 O LEU A 514 -18.432 10.691 -10.073 1.00 0.00 O ATOM 74 CB LEU A 514 -20.589 11.405 -12.494 1.00 0.00 C ATOM 75 CG LEU A 514 -21.097 11.444 -13.949 1.00 0.00 C ATOM 76 CD1 LEU A 514 -21.396 10.054 -14.522 1.00 0.00 C ATOM 77 CD2 LEU A 514 -22.378 12.285 -14.014 1.00 0.00 C ATOM 0 H LEU A 514 -20.427 9.190 -11.205 1.00 0.00 H new ATOM 0 HA LEU A 514 -18.756 10.553 -13.237 1.00 0.00 H new ATOM 0 HB2 LEU A 514 -21.376 11.003 -11.856 1.00 0.00 H new ATOM 0 HB3 LEU A 514 -20.398 12.425 -12.160 1.00 0.00 H new ATOM 0 HG LEU A 514 -20.299 11.881 -14.550 1.00 0.00 H new ATOM 0 HD11 LEU A 514 -21.749 10.152 -15.548 1.00 0.00 H new ATOM 0 HD12 LEU A 514 -20.488 9.451 -14.507 1.00 0.00 H new ATOM 0 HD13 LEU A 514 -22.164 9.569 -13.919 1.00 0.00 H new ATOM 0 HD21 LEU A 514 -22.741 12.316 -15.041 1.00 0.00 H new ATOM 0 HD22 LEU A 514 -23.139 11.839 -13.373 1.00 0.00 H new ATOM 0 HD23 LEU A 514 -22.165 13.299 -13.674 1.00 0.00 H new ATOM 89 N PRO A 515 -17.679 12.260 -11.511 1.00 0.00 N ATOM 90 CA PRO A 515 -16.922 13.035 -10.533 1.00 0.00 C ATOM 91 C PRO A 515 -17.885 13.928 -9.731 1.00 0.00 C ATOM 92 O PRO A 515 -17.764 15.154 -9.723 1.00 0.00 O ATOM 93 CB PRO A 515 -15.917 13.825 -11.380 1.00 0.00 C ATOM 94 CG PRO A 515 -16.706 14.116 -12.653 1.00 0.00 C ATOM 95 CD PRO A 515 -17.502 12.827 -12.841 1.00 0.00 C ATOM 0 HA PRO A 515 -16.402 12.434 -9.787 1.00 0.00 H new ATOM 0 HB2 PRO A 515 -15.600 14.741 -10.882 1.00 0.00 H new ATOM 0 HB3 PRO A 515 -15.017 13.246 -11.585 1.00 0.00 H new ATOM 0 HG2 PRO A 515 -17.356 14.983 -12.540 1.00 0.00 H new ATOM 0 HG3 PRO A 515 -16.051 14.317 -13.501 1.00 0.00 H new ATOM 0 HD2 PRO A 515 -18.465 13.029 -13.309 1.00 0.00 H new ATOM 0 HD3 PRO A 515 -16.971 12.133 -13.492 1.00 0.00 H new ATOM 103 N SER A 516 -18.907 13.327 -9.124 1.00 0.00 N ATOM 104 CA SER A 516 -19.886 14.012 -8.303 1.00 0.00 C ATOM 105 C SER A 516 -19.161 14.671 -7.136 1.00 0.00 C ATOM 106 O SER A 516 -18.496 13.973 -6.366 1.00 0.00 O ATOM 107 CB SER A 516 -20.945 13.007 -7.859 1.00 0.00 C ATOM 108 OG SER A 516 -21.551 12.429 -9.011 1.00 0.00 O ATOM 0 H SER A 516 -19.075 12.324 -9.196 1.00 0.00 H new ATOM 0 HA SER A 516 -20.401 14.798 -8.855 1.00 0.00 H new ATOM 0 HB2 SER A 516 -20.492 12.230 -7.243 1.00 0.00 H new ATOM 0 HB3 SER A 516 -21.699 13.501 -7.246 1.00 0.00 H new ATOM 0 HG SER A 516 -22.231 11.781 -8.732 1.00 0.00 H new ATOM 114 N GLU A 517 -19.266 16.001 -7.065 1.00 0.00 N ATOM 115 CA GLU A 517 -18.473 16.937 -6.278 1.00 0.00 C ATOM 116 C GLU A 517 -16.982 16.862 -6.632 1.00 0.00 C ATOM 117 O GLU A 517 -16.452 17.822 -7.196 1.00 0.00 O ATOM 118 CB GLU A 517 -18.800 16.804 -4.779 1.00 0.00 C ATOM 119 CG GLU A 517 -18.760 18.145 -4.026 1.00 0.00 C ATOM 120 CD GLU A 517 -20.005 18.993 -4.334 1.00 0.00 C ATOM 121 OE1 GLU A 517 -20.082 19.565 -5.449 1.00 0.00 O ATOM 122 OE2 GLU A 517 -20.937 19.029 -3.496 1.00 0.00 O ATOM 0 H GLU A 517 -19.976 16.491 -7.610 1.00 0.00 H new ATOM 0 HA GLU A 517 -18.755 17.956 -6.544 1.00 0.00 H new ATOM 0 HB2 GLU A 517 -19.790 16.362 -4.668 1.00 0.00 H new ATOM 0 HB3 GLU A 517 -18.091 16.116 -4.319 1.00 0.00 H new ATOM 0 HG2 GLU A 517 -18.698 17.961 -2.953 1.00 0.00 H new ATOM 0 HG3 GLU A 517 -17.863 18.696 -4.307 1.00 0.00 H new ATOM 129 N ALA A 518 -16.351 15.715 -6.370 1.00 0.00 N ATOM 130 CA ALA A 518 -14.951 15.353 -6.573 1.00 0.00 C ATOM 131 C ALA A 518 -14.044 16.018 -5.526 1.00 0.00 C ATOM 132 O ALA A 518 -14.416 17.046 -4.947 1.00 0.00 O ATOM 133 CB ALA A 518 -14.504 15.669 -8.008 1.00 0.00 C ATOM 0 H ALA A 518 -16.868 14.934 -5.966 1.00 0.00 H new ATOM 0 HA ALA A 518 -14.857 14.276 -6.435 1.00 0.00 H new ATOM 0 HB1 ALA A 518 -13.458 15.390 -8.133 1.00 0.00 H new ATOM 0 HB2 ALA A 518 -15.116 15.106 -8.712 1.00 0.00 H new ATOM 0 HB3 ALA A 518 -14.620 16.736 -8.199 1.00 0.00 H new ATOM 139 N PRO A 519 -12.849 15.458 -5.260 1.00 0.00 N ATOM 140 CA PRO A 519 -11.962 15.997 -4.247 1.00 0.00 C ATOM 141 C PRO A 519 -11.431 17.360 -4.674 1.00 0.00 C ATOM 142 O PRO A 519 -11.047 17.577 -5.827 1.00 0.00 O ATOM 143 CB PRO A 519 -10.847 14.969 -4.055 1.00 0.00 C ATOM 144 CG PRO A 519 -10.846 14.164 -5.352 1.00 0.00 C ATOM 145 CD PRO A 519 -12.298 14.234 -5.819 1.00 0.00 C ATOM 0 HA PRO A 519 -12.479 16.163 -3.302 1.00 0.00 H new ATOM 0 HB2 PRO A 519 -9.885 15.453 -3.887 1.00 0.00 H new ATOM 0 HB3 PRO A 519 -11.038 14.332 -3.192 1.00 0.00 H new ATOM 0 HG2 PRO A 519 -10.167 14.592 -6.089 1.00 0.00 H new ATOM 0 HG3 PRO A 519 -10.528 13.135 -5.185 1.00 0.00 H new ATOM 0 HD2 PRO A 519 -12.356 14.243 -6.907 1.00 0.00 H new ATOM 0 HD3 PRO A 519 -12.859 13.364 -5.477 1.00 0.00 H new ATOM 153 N ASN A 520 -11.352 18.261 -3.701 1.00 0.00 N ATOM 154 CA ASN A 520 -10.793 19.601 -3.827 1.00 0.00 C ATOM 155 C ASN A 520 -9.259 19.595 -3.789 1.00 0.00 C ATOM 156 O ASN A 520 -8.639 20.667 -3.818 1.00 0.00 O ATOM 157 CB ASN A 520 -11.360 20.482 -2.696 1.00 0.00 C ATOM 158 CG ASN A 520 -12.841 20.786 -2.883 1.00 0.00 C ATOM 159 OD1 ASN A 520 -13.691 19.909 -2.790 1.00 0.00 O ATOM 160 ND2 ASN A 520 -13.203 22.024 -3.177 1.00 0.00 N ATOM 0 H ASN A 520 -11.692 18.067 -2.759 1.00 0.00 H new ATOM 0 HA ASN A 520 -11.078 20.006 -4.798 1.00 0.00 H new ATOM 0 HB2 ASN A 520 -11.213 19.980 -1.740 1.00 0.00 H new ATOM 0 HB3 ASN A 520 -10.802 21.418 -2.654 1.00 0.00 H new ATOM 0 HD21 ASN A 520 -14.187 22.246 -3.325 1.00 0.00 H new ATOM 0 HD22 ASN A 520 -12.498 22.757 -3.255 1.00 0.00 H new ATOM 167 N ALA A 521 -8.649 18.415 -3.737 1.00 0.00 N ATOM 168 CA ALA A 521 -7.218 18.186 -3.817 1.00 0.00 C ATOM 169 C ALA A 521 -6.724 18.477 -5.232 1.00 0.00 C ATOM 170 O ALA A 521 -7.366 18.083 -6.208 1.00 0.00 O ATOM 171 CB ALA A 521 -6.914 16.732 -3.440 1.00 0.00 C ATOM 0 H ALA A 521 -9.174 17.547 -3.632 1.00 0.00 H new ATOM 0 HA ALA A 521 -6.704 18.851 -3.124 1.00 0.00 H new ATOM 0 HB1 ALA A 521 -5.840 16.558 -3.499 1.00 0.00 H new ATOM 0 HB2 ALA A 521 -7.257 16.540 -2.423 1.00 0.00 H new ATOM 0 HB3 ALA A 521 -7.429 16.062 -4.129 1.00 0.00 H new ATOM 177 N LYS A 522 -5.557 19.110 -5.355 1.00 0.00 N ATOM 178 CA LYS A 522 -4.879 19.361 -6.607 1.00 0.00 C ATOM 179 C LYS A 522 -3.423 18.939 -6.463 1.00 0.00 C ATOM 180 O LYS A 522 -2.924 18.160 -7.279 1.00 0.00 O ATOM 181 CB LYS A 522 -5.034 20.850 -6.919 1.00 0.00 C ATOM 182 CG LYS A 522 -6.302 21.094 -7.751 1.00 0.00 C ATOM 183 CD LYS A 522 -6.425 22.551 -8.200 1.00 0.00 C ATOM 184 CE LYS A 522 -7.785 22.738 -8.880 1.00 0.00 C ATOM 185 NZ LYS A 522 -7.886 24.041 -9.559 1.00 0.00 N ATOM 0 H LYS A 522 -5.047 19.472 -4.549 1.00 0.00 H new ATOM 0 HA LYS A 522 -5.301 18.789 -7.434 1.00 0.00 H new ATOM 0 HB2 LYS A 522 -5.085 21.419 -5.991 1.00 0.00 H new ATOM 0 HB3 LYS A 522 -4.160 21.207 -7.464 1.00 0.00 H new ATOM 0 HG2 LYS A 522 -6.291 20.445 -8.627 1.00 0.00 H new ATOM 0 HG3 LYS A 522 -7.179 20.821 -7.163 1.00 0.00 H new ATOM 0 HD2 LYS A 522 -6.335 23.220 -7.344 1.00 0.00 H new ATOM 0 HD3 LYS A 522 -5.619 22.804 -8.889 1.00 0.00 H new ATOM 0 HE2 LYS A 522 -7.942 21.938 -9.604 1.00 0.00 H new ATOM 0 HE3 LYS A 522 -8.577 22.654 -8.136 1.00 0.00 H new ATOM 0 HZ1 LYS A 522 -8.821 24.128 -10.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 522 -7.762 24.805 -8.864 1.00 0.00 H new ATOM 0 HZ3 LYS A 522 -7.146 24.112 -10.287 1.00 0.00 H new ATOM 199 N GLU A 523 -2.745 19.439 -5.428 1.00 0.00 N ATOM 200 CA GLU A 523 -1.395 19.035 -5.068 1.00 0.00 C ATOM 201 C GLU A 523 -1.327 17.519 -4.855 1.00 0.00 C ATOM 202 O GLU A 523 -2.249 16.908 -4.303 1.00 0.00 O ATOM 203 CB GLU A 523 -0.927 19.771 -3.802 1.00 0.00 C ATOM 204 CG GLU A 523 -0.684 21.273 -4.007 1.00 0.00 C ATOM 205 CD GLU A 523 -1.915 22.142 -3.748 1.00 0.00 C ATOM 206 OE1 GLU A 523 -2.852 22.112 -4.576 1.00 0.00 O ATOM 207 OE2 GLU A 523 -1.889 22.916 -2.765 1.00 0.00 O ATOM 0 H GLU A 523 -3.132 20.150 -4.807 1.00 0.00 H new ATOM 0 HA GLU A 523 -0.730 19.302 -5.889 1.00 0.00 H new ATOM 0 HB2 GLU A 523 -1.674 19.638 -3.020 1.00 0.00 H new ATOM 0 HB3 GLU A 523 -0.006 19.310 -3.445 1.00 0.00 H new ATOM 0 HG2 GLU A 523 0.121 21.594 -3.346 1.00 0.00 H new ATOM 0 HG3 GLU A 523 -0.343 21.439 -5.029 1.00 0.00 H new ATOM 214 N GLU A 524 -0.204 16.910 -5.234 1.00 0.00 N ATOM 215 CA GLU A 524 0.043 15.492 -5.038 1.00 0.00 C ATOM 216 C GLU A 524 1.190 15.269 -4.085 1.00 0.00 C ATOM 217 O GLU A 524 2.106 16.082 -3.957 1.00 0.00 O ATOM 218 CB GLU A 524 0.410 14.794 -6.346 1.00 0.00 C ATOM 219 CG GLU A 524 -0.810 14.373 -7.165 1.00 0.00 C ATOM 220 CD GLU A 524 -0.422 13.308 -8.195 1.00 0.00 C ATOM 221 OE1 GLU A 524 0.669 13.393 -8.804 1.00 0.00 O ATOM 222 OE2 GLU A 524 -1.178 12.325 -8.355 1.00 0.00 O ATOM 0 H GLU A 524 0.566 17.398 -5.691 1.00 0.00 H new ATOM 0 HA GLU A 524 -0.883 15.078 -4.638 1.00 0.00 H new ATOM 0 HB2 GLU A 524 1.030 15.461 -6.945 1.00 0.00 H new ATOM 0 HB3 GLU A 524 1.012 13.913 -6.124 1.00 0.00 H new ATOM 0 HG2 GLU A 524 -1.583 13.983 -6.503 1.00 0.00 H new ATOM 0 HG3 GLU A 524 -1.233 15.241 -7.672 1.00 0.00 H new ATOM 229 N ILE A 525 1.139 14.083 -3.491 1.00 0.00 N ATOM 230 CA ILE A 525 2.087 13.567 -2.540 1.00 0.00 C ATOM 231 C ILE A 525 2.872 12.494 -3.269 1.00 0.00 C ATOM 232 O ILE A 525 2.272 11.603 -3.884 1.00 0.00 O ATOM 233 CB ILE A 525 1.356 13.016 -1.314 1.00 0.00 C ATOM 234 CG1 ILE A 525 0.308 14.020 -0.796 1.00 0.00 C ATOM 235 CG2 ILE A 525 2.382 12.638 -0.234 1.00 0.00 C ATOM 236 CD1 ILE A 525 0.802 15.452 -0.580 1.00 0.00 C ATOM 0 H ILE A 525 0.384 13.424 -3.679 1.00 0.00 H new ATOM 0 HA ILE A 525 2.761 14.339 -2.169 1.00 0.00 H new ATOM 0 HB ILE A 525 0.809 12.116 -1.593 1.00 0.00 H new ATOM 0 HG12 ILE A 525 -0.522 14.046 -1.502 1.00 0.00 H new ATOM 0 HG13 ILE A 525 -0.088 13.647 0.148 1.00 0.00 H new ATOM 0 HG21 ILE A 525 1.862 12.245 0.640 1.00 0.00 H new ATOM 0 HG22 ILE A 525 3.059 11.879 -0.625 1.00 0.00 H new ATOM 0 HG23 ILE A 525 2.953 13.522 0.050 1.00 0.00 H new ATOM 0 HD11 ILE A 525 -0.019 16.069 -0.215 1.00 0.00 H new ATOM 0 HD12 ILE A 525 1.609 15.452 0.153 1.00 0.00 H new ATOM 0 HD13 ILE A 525 1.168 15.857 -1.523 1.00 0.00 H new ATOM 248 N LEU A 526 4.193 12.588 -3.204 1.00 0.00 N ATOM 249 CA LEU A 526 5.137 11.626 -3.726 1.00 0.00 C ATOM 250 C LEU A 526 6.302 11.623 -2.756 1.00 0.00 C ATOM 251 O LEU A 526 6.695 12.651 -2.198 1.00 0.00 O ATOM 252 CB LEU A 526 5.546 12.026 -5.143 1.00 0.00 C ATOM 253 CG LEU A 526 6.143 10.965 -6.082 1.00 0.00 C ATOM 254 CD1 LEU A 526 7.518 10.424 -5.681 1.00 0.00 C ATOM 255 CD2 LEU A 526 5.157 9.808 -6.286 1.00 0.00 C ATOM 0 H LEU A 526 4.653 13.383 -2.760 1.00 0.00 H new ATOM 0 HA LEU A 526 4.721 10.622 -3.806 1.00 0.00 H new ATOM 0 HB2 LEU A 526 4.665 12.439 -5.634 1.00 0.00 H new ATOM 0 HB3 LEU A 526 6.272 12.834 -5.058 1.00 0.00 H new ATOM 0 HG LEU A 526 6.312 11.494 -7.020 1.00 0.00 H new ATOM 0 HD11 LEU A 526 7.845 9.683 -6.411 1.00 0.00 H new ATOM 0 HD12 LEU A 526 8.236 11.243 -5.649 1.00 0.00 H new ATOM 0 HD13 LEU A 526 7.454 9.960 -4.697 1.00 0.00 H new ATOM 0 HD21 LEU A 526 5.598 9.068 -6.953 1.00 0.00 H new ATOM 0 HD22 LEU A 526 4.936 9.344 -5.325 1.00 0.00 H new ATOM 0 HD23 LEU A 526 4.235 10.189 -6.725 1.00 0.00 H new ATOM 267 N GLY A 527 6.860 10.444 -2.576 1.00 0.00 N ATOM 268 CA GLY A 527 7.903 10.181 -1.603 1.00 0.00 C ATOM 269 C GLY A 527 7.333 9.663 -0.291 1.00 0.00 C ATOM 270 O GLY A 527 6.167 9.274 -0.212 1.00 0.00 O ATOM 0 H GLY A 527 6.595 9.620 -3.116 1.00 0.00 H new ATOM 0 HA2 GLY A 527 8.603 9.451 -2.009 1.00 0.00 H new ATOM 0 HA3 GLY A 527 8.467 11.095 -1.419 1.00 0.00 H new ATOM 274 N THR A 528 8.189 9.583 0.721 1.00 0.00 N ATOM 275 CA THR A 528 7.879 8.903 1.961 1.00 0.00 C ATOM 276 C THR A 528 7.297 9.893 2.976 1.00 0.00 C ATOM 277 O THR A 528 7.846 10.982 3.153 1.00 0.00 O ATOM 278 CB THR A 528 9.147 8.212 2.473 1.00 0.00 C ATOM 279 OG1 THR A 528 9.823 7.490 1.458 1.00 0.00 O ATOM 280 CG2 THR A 528 8.804 7.189 3.549 1.00 0.00 C ATOM 0 H THR A 528 9.123 9.993 0.698 1.00 0.00 H new ATOM 0 HA THR A 528 7.118 8.139 1.800 1.00 0.00 H new ATOM 0 HB THR A 528 9.780 9.015 2.852 1.00 0.00 H new ATOM 0 HG1 THR A 528 10.625 7.070 1.834 1.00 0.00 H new ATOM 0 HG21 THR A 528 9.718 6.709 3.900 1.00 0.00 H new ATOM 0 HG22 THR A 528 8.314 7.690 4.384 1.00 0.00 H new ATOM 0 HG23 THR A 528 8.135 6.435 3.134 1.00 0.00 H new ATOM 288 N VAL A 529 6.222 9.496 3.657 1.00 0.00 N ATOM 289 CA VAL A 529 5.407 10.327 4.546 1.00 0.00 C ATOM 290 C VAL A 529 5.155 9.614 5.884 1.00 0.00 C ATOM 291 O VAL A 529 5.258 8.389 5.985 1.00 0.00 O ATOM 292 CB VAL A 529 4.077 10.690 3.839 1.00 0.00 C ATOM 293 CG1 VAL A 529 4.239 11.831 2.834 1.00 0.00 C ATOM 294 CG2 VAL A 529 3.431 9.502 3.105 1.00 0.00 C ATOM 0 H VAL A 529 5.878 8.537 3.601 1.00 0.00 H new ATOM 0 HA VAL A 529 5.945 11.248 4.769 1.00 0.00 H new ATOM 0 HB VAL A 529 3.423 11.002 4.653 1.00 0.00 H new ATOM 0 HG11 VAL A 529 3.277 12.045 2.368 1.00 0.00 H new ATOM 0 HG12 VAL A 529 4.598 12.722 3.350 1.00 0.00 H new ATOM 0 HG13 VAL A 529 4.957 11.541 2.067 1.00 0.00 H new ATOM 0 HG21 VAL A 529 2.504 9.827 2.633 1.00 0.00 H new ATOM 0 HG22 VAL A 529 4.115 9.130 2.343 1.00 0.00 H new ATOM 0 HG23 VAL A 529 3.215 8.707 3.819 1.00 0.00 H new ATOM 304 N SER A 530 4.749 10.353 6.917 1.00 0.00 N ATOM 305 CA SER A 530 4.584 9.890 8.302 1.00 0.00 C ATOM 306 C SER A 530 3.188 9.296 8.558 1.00 0.00 C ATOM 307 O SER A 530 2.710 9.233 9.692 1.00 0.00 O ATOM 308 CB SER A 530 4.898 11.067 9.245 1.00 0.00 C ATOM 309 OG SER A 530 4.514 12.312 8.678 1.00 0.00 O ATOM 0 H SER A 530 4.514 11.340 6.809 1.00 0.00 H new ATOM 0 HA SER A 530 5.280 9.074 8.495 1.00 0.00 H new ATOM 0 HB2 SER A 530 4.378 10.923 10.192 1.00 0.00 H new ATOM 0 HB3 SER A 530 5.965 11.082 9.466 1.00 0.00 H new ATOM 0 HG SER A 530 4.726 13.036 9.304 1.00 0.00 H new ATOM 315 N TRP A 531 2.507 8.913 7.482 1.00 0.00 N ATOM 316 CA TRP A 531 1.195 8.312 7.463 1.00 0.00 C ATOM 317 C TRP A 531 1.210 6.928 8.123 1.00 0.00 C ATOM 318 O TRP A 531 2.185 6.489 8.727 1.00 0.00 O ATOM 319 CB TRP A 531 0.717 8.228 6.009 1.00 0.00 C ATOM 320 CG TRP A 531 0.580 9.502 5.247 1.00 0.00 C ATOM 321 CD1 TRP A 531 0.841 10.753 5.696 1.00 0.00 C ATOM 322 CD2 TRP A 531 0.177 9.647 3.855 1.00 0.00 C ATOM 323 NE1 TRP A 531 0.574 11.664 4.698 1.00 0.00 N ATOM 324 CE2 TRP A 531 0.209 11.032 3.531 1.00 0.00 C ATOM 325 CE3 TRP A 531 -0.129 8.745 2.811 1.00 0.00 C ATOM 326 CZ2 TRP A 531 -0.046 11.495 2.240 1.00 0.00 C ATOM 327 CZ3 TRP A 531 -0.383 9.205 1.506 1.00 0.00 C ATOM 328 CH2 TRP A 531 -0.340 10.580 1.219 1.00 0.00 C ATOM 0 H TRP A 531 2.890 9.026 6.543 1.00 0.00 H new ATOM 0 HA TRP A 531 0.504 8.928 8.038 1.00 0.00 H new ATOM 0 HB2 TRP A 531 1.410 7.586 5.465 1.00 0.00 H new ATOM 0 HB3 TRP A 531 -0.252 7.729 6.003 1.00 0.00 H new ATOM 0 HD1 TRP A 531 1.203 10.998 6.684 1.00 0.00 H new ATOM 0 HE1 TRP A 531 0.638 12.676 4.809 1.00 0.00 H new ATOM 0 HE3 TRP A 531 -0.168 7.686 3.018 1.00 0.00 H new ATOM 0 HZ2 TRP A 531 -0.017 12.554 2.028 1.00 0.00 H new ATOM 0 HZ3 TRP A 531 -0.612 8.499 0.722 1.00 0.00 H new ATOM 0 HH2 TRP A 531 -0.533 10.931 0.216 1.00 0.00 H new ATOM 339 N ASN A 532 0.076 6.233 8.047 1.00 0.00 N ATOM 340 CA ASN A 532 -0.205 5.096 8.908 1.00 0.00 C ATOM 341 C ASN A 532 -0.825 4.016 8.039 1.00 0.00 C ATOM 342 O ASN A 532 -0.126 3.358 7.276 1.00 0.00 O ATOM 343 CB ASN A 532 -1.100 5.554 10.073 1.00 0.00 C ATOM 344 CG ASN A 532 -0.441 6.639 10.907 1.00 0.00 C ATOM 345 OD1 ASN A 532 0.262 6.359 11.873 1.00 0.00 O ATOM 346 ND2 ASN A 532 -0.656 7.887 10.513 1.00 0.00 N ATOM 0 H ASN A 532 -0.671 6.446 7.385 1.00 0.00 H new ATOM 0 HA ASN A 532 0.692 4.681 9.367 1.00 0.00 H new ATOM 0 HB2 ASN A 532 -2.046 5.925 9.679 1.00 0.00 H new ATOM 0 HB3 ASN A 532 -1.332 4.700 10.709 1.00 0.00 H new ATOM 0 HD21 ASN A 532 -0.229 8.662 11.020 1.00 0.00 H new ATOM 0 HD22 ASN A 532 -1.248 8.071 9.703 1.00 0.00 H new ATOM 353 N LEU A 533 -2.154 3.903 8.072 1.00 0.00 N ATOM 354 CA LEU A 533 -2.928 3.012 7.224 1.00 0.00 C ATOM 355 C LEU A 533 -4.101 3.822 6.682 1.00 0.00 C ATOM 356 O LEU A 533 -4.208 4.022 5.474 1.00 0.00 O ATOM 357 CB LEU A 533 -3.295 1.752 8.043 1.00 0.00 C ATOM 358 CG LEU A 533 -3.653 0.451 7.292 1.00 0.00 C ATOM 359 CD1 LEU A 533 -5.128 0.344 6.905 1.00 0.00 C ATOM 360 CD2 LEU A 533 -2.768 0.190 6.068 1.00 0.00 C ATOM 0 H LEU A 533 -2.733 4.448 8.711 1.00 0.00 H new ATOM 0 HA LEU A 533 -2.386 2.635 6.357 1.00 0.00 H new ATOM 0 HB2 LEU A 533 -2.455 1.531 8.702 1.00 0.00 H new ATOM 0 HB3 LEU A 533 -4.142 2.008 8.680 1.00 0.00 H new ATOM 0 HG LEU A 533 -3.451 -0.330 8.025 1.00 0.00 H new ATOM 0 HD11 LEU A 533 -5.300 -0.597 6.382 1.00 0.00 H new ATOM 0 HD12 LEU A 533 -5.743 0.376 7.804 1.00 0.00 H new ATOM 0 HD13 LEU A 533 -5.394 1.176 6.253 1.00 0.00 H new ATOM 0 HD21 LEU A 533 -3.075 -0.740 5.589 1.00 0.00 H new ATOM 0 HD22 LEU A 533 -2.872 1.014 5.362 1.00 0.00 H new ATOM 0 HD23 LEU A 533 -1.727 0.110 6.382 1.00 0.00 H new ATOM 372 N ARG A 534 -4.928 4.394 7.565 1.00 0.00 N ATOM 373 CA ARG A 534 -6.060 5.239 7.170 1.00 0.00 C ATOM 374 C ARG A 534 -5.617 6.509 6.442 1.00 0.00 C ATOM 375 O ARG A 534 -6.232 6.840 5.430 1.00 0.00 O ATOM 376 CB ARG A 534 -6.969 5.531 8.366 1.00 0.00 C ATOM 377 CG ARG A 534 -7.562 4.220 8.891 1.00 0.00 C ATOM 378 CD ARG A 534 -8.643 4.489 9.930 1.00 0.00 C ATOM 379 NE ARG A 534 -8.908 3.300 10.762 1.00 0.00 N ATOM 380 CZ ARG A 534 -9.952 3.148 11.586 1.00 0.00 C ATOM 381 NH1 ARG A 534 -10.896 4.079 11.670 1.00 0.00 N ATOM 382 NH2 ARG A 534 -10.052 2.073 12.355 1.00 0.00 N ATOM 0 H ARG A 534 -4.831 4.284 8.574 1.00 0.00 H new ATOM 0 HA ARG A 534 -6.649 4.678 6.445 1.00 0.00 H new ATOM 0 HB2 ARG A 534 -6.402 6.027 9.154 1.00 0.00 H new ATOM 0 HB3 ARG A 534 -7.768 6.211 8.071 1.00 0.00 H new ATOM 0 HG2 ARG A 534 -7.982 3.649 8.063 1.00 0.00 H new ATOM 0 HG3 ARG A 534 -6.773 3.610 9.331 1.00 0.00 H new ATOM 0 HD2 ARG A 534 -8.337 5.318 10.568 1.00 0.00 H new ATOM 0 HD3 ARG A 534 -9.561 4.795 9.429 1.00 0.00 H new ATOM 0 HE ARG A 534 -8.241 2.530 10.705 1.00 0.00 H new ATOM 0 HH11 ARG A 534 -10.831 4.924 11.102 1.00 0.00 H new ATOM 0 HH12 ARG A 534 -11.686 3.949 12.302 1.00 0.00 H new ATOM 0 HH21 ARG A 534 -9.330 1.353 12.322 1.00 0.00 H new ATOM 0 HH22 ARG A 534 -10.851 1.966 12.980 1.00 0.00 H new ATOM 396 N GLU A 535 -4.529 7.173 6.861 1.00 0.00 N ATOM 397 CA GLU A 535 -3.991 8.315 6.110 1.00 0.00 C ATOM 398 C GLU A 535 -3.684 7.971 4.642 1.00 0.00 C ATOM 399 O GLU A 535 -3.739 8.836 3.771 1.00 0.00 O ATOM 400 CB GLU A 535 -2.725 8.823 6.805 1.00 0.00 C ATOM 401 CG GLU A 535 -3.067 9.817 7.914 1.00 0.00 C ATOM 402 CD GLU A 535 -3.371 11.208 7.360 1.00 0.00 C ATOM 403 OE1 GLU A 535 -4.563 11.452 7.051 1.00 0.00 O ATOM 404 OE2 GLU A 535 -2.445 12.039 7.250 1.00 0.00 O ATOM 0 H GLU A 535 -4.009 6.941 7.708 1.00 0.00 H new ATOM 0 HA GLU A 535 -4.756 9.091 6.097 1.00 0.00 H new ATOM 0 HB2 GLU A 535 -2.174 7.981 7.224 1.00 0.00 H new ATOM 0 HB3 GLU A 535 -2.072 9.299 6.074 1.00 0.00 H new ATOM 0 HG2 GLU A 535 -3.928 9.453 8.474 1.00 0.00 H new ATOM 0 HG3 GLU A 535 -2.234 9.880 8.615 1.00 0.00 H new ATOM 411 N MET A 536 -3.357 6.709 4.354 1.00 0.00 N ATOM 412 CA MET A 536 -2.920 6.270 3.045 1.00 0.00 C ATOM 413 C MET A 536 -4.118 5.842 2.210 1.00 0.00 C ATOM 414 O MET A 536 -4.150 6.141 1.016 1.00 0.00 O ATOM 415 CB MET A 536 -1.913 5.127 3.201 1.00 0.00 C ATOM 416 CG MET A 536 -0.999 5.281 4.425 1.00 0.00 C ATOM 417 SD MET A 536 0.689 4.670 4.288 1.00 0.00 S ATOM 418 CE MET A 536 0.467 3.175 3.310 1.00 0.00 C ATOM 0 H MET A 536 -3.392 5.957 5.043 1.00 0.00 H new ATOM 0 HA MET A 536 -2.430 7.093 2.526 1.00 0.00 H new ATOM 0 HB2 MET A 536 -2.454 4.184 3.278 1.00 0.00 H new ATOM 0 HB3 MET A 536 -1.298 5.070 2.303 1.00 0.00 H new ATOM 0 HG2 MET A 536 -0.953 6.340 4.679 1.00 0.00 H new ATOM 0 HG3 MET A 536 -1.473 4.772 5.264 1.00 0.00 H new ATOM 0 HE1 MET A 536 1.312 2.506 3.471 1.00 0.00 H new ATOM 0 HE2 MET A 536 -0.454 2.676 3.612 1.00 0.00 H new ATOM 0 HE3 MET A 536 0.408 3.437 2.254 1.00 0.00 H new ATOM 428 N LEU A 537 -5.116 5.214 2.851 1.00 0.00 N ATOM 429 CA LEU A 537 -6.412 4.940 2.245 1.00 0.00 C ATOM 430 C LEU A 537 -7.015 6.232 1.707 1.00 0.00 C ATOM 431 O LEU A 537 -7.574 6.201 0.619 1.00 0.00 O ATOM 432 CB LEU A 537 -7.396 4.289 3.236 1.00 0.00 C ATOM 433 CG LEU A 537 -7.061 2.854 3.680 1.00 0.00 C ATOM 434 CD1 LEU A 537 -8.024 2.390 4.783 1.00 0.00 C ATOM 435 CD2 LEU A 537 -7.172 1.857 2.527 1.00 0.00 C ATOM 0 H LEU A 537 -5.037 4.883 3.812 1.00 0.00 H new ATOM 0 HA LEU A 537 -6.245 4.234 1.432 1.00 0.00 H new ATOM 0 HB2 LEU A 537 -7.454 4.918 4.124 1.00 0.00 H new ATOM 0 HB3 LEU A 537 -8.387 4.285 2.782 1.00 0.00 H new ATOM 0 HG LEU A 537 -6.034 2.879 4.044 1.00 0.00 H new ATOM 0 HD11 LEU A 537 -7.771 1.373 5.083 1.00 0.00 H new ATOM 0 HD12 LEU A 537 -7.939 3.054 5.643 1.00 0.00 H new ATOM 0 HD13 LEU A 537 -9.047 2.413 4.406 1.00 0.00 H new ATOM 0 HD21 LEU A 537 -6.927 0.857 2.886 1.00 0.00 H new ATOM 0 HD22 LEU A 537 -8.190 1.863 2.137 1.00 0.00 H new ATOM 0 HD23 LEU A 537 -6.478 2.138 1.735 1.00 0.00 H new ATOM 447 N ALA A 538 -6.878 7.354 2.426 1.00 0.00 N ATOM 448 CA ALA A 538 -7.351 8.659 1.978 1.00 0.00 C ATOM 449 C ALA A 538 -6.726 9.025 0.629 1.00 0.00 C ATOM 450 O ALA A 538 -7.429 9.228 -0.355 1.00 0.00 O ATOM 451 CB ALA A 538 -7.046 9.716 3.044 1.00 0.00 C ATOM 0 H ALA A 538 -6.431 7.375 3.343 1.00 0.00 H new ATOM 0 HA ALA A 538 -8.431 8.619 1.837 1.00 0.00 H new ATOM 0 HB1 ALA A 538 -7.401 10.689 2.704 1.00 0.00 H new ATOM 0 HB2 ALA A 538 -7.549 9.451 3.974 1.00 0.00 H new ATOM 0 HB3 ALA A 538 -5.970 9.762 3.214 1.00 0.00 H new ATOM 457 N HIS A 539 -5.394 9.082 0.551 1.00 0.00 N ATOM 458 CA HIS A 539 -4.700 9.452 -0.683 1.00 0.00 C ATOM 459 C HIS A 539 -5.000 8.478 -1.831 1.00 0.00 C ATOM 460 O HIS A 539 -5.144 8.910 -2.980 1.00 0.00 O ATOM 461 CB HIS A 539 -3.200 9.534 -0.401 1.00 0.00 C ATOM 462 CG HIS A 539 -2.391 9.959 -1.600 1.00 0.00 C ATOM 463 ND1 HIS A 539 -2.357 11.225 -2.157 1.00 0.00 N ATOM 464 CD2 HIS A 539 -1.568 9.147 -2.326 1.00 0.00 C ATOM 465 CE1 HIS A 539 -1.524 11.179 -3.215 1.00 0.00 C ATOM 466 NE2 HIS A 539 -1.011 9.932 -3.316 1.00 0.00 N ATOM 0 H HIS A 539 -4.773 8.875 1.333 1.00 0.00 H new ATOM 0 HA HIS A 539 -5.064 10.426 -1.010 1.00 0.00 H new ATOM 0 HB2 HIS A 539 -3.028 10.238 0.413 1.00 0.00 H new ATOM 0 HB3 HIS A 539 -2.848 8.561 -0.060 1.00 0.00 H new ATOM 0 HD2 HIS A 539 -1.388 8.095 -2.159 1.00 0.00 H new ATOM 0 HE1 HIS A 539 -1.302 12.004 -3.875 1.00 0.00 H new ATOM 0 HE2 HIS A 539 -0.328 9.623 -4.007 1.00 0.00 H new ATOM 475 N ALA A 540 -5.054 7.174 -1.540 1.00 0.00 N ATOM 476 CA ALA A 540 -5.417 6.139 -2.501 1.00 0.00 C ATOM 477 C ALA A 540 -6.831 6.369 -3.038 1.00 0.00 C ATOM 478 O ALA A 540 -6.992 6.336 -4.250 1.00 0.00 O ATOM 479 CB ALA A 540 -5.322 4.752 -1.854 1.00 0.00 C ATOM 0 H ALA A 540 -4.842 6.807 -0.612 1.00 0.00 H new ATOM 0 HA ALA A 540 -4.717 6.190 -3.335 1.00 0.00 H new ATOM 0 HB1 ALA A 540 -5.596 3.990 -2.584 1.00 0.00 H new ATOM 0 HB2 ALA A 540 -4.301 4.578 -1.514 1.00 0.00 H new ATOM 0 HB3 ALA A 540 -6.001 4.700 -1.003 1.00 0.00 H new ATOM 485 N GLU A 541 -7.822 6.624 -2.175 1.00 0.00 N ATOM 486 CA GLU A 541 -9.195 6.977 -2.540 1.00 0.00 C ATOM 487 C GLU A 541 -9.172 8.143 -3.511 1.00 0.00 C ATOM 488 O GLU A 541 -9.776 8.069 -4.576 1.00 0.00 O ATOM 489 CB GLU A 541 -10.012 7.355 -1.286 1.00 0.00 C ATOM 490 CG GLU A 541 -10.992 6.269 -0.839 1.00 0.00 C ATOM 491 CD GLU A 541 -12.395 6.424 -1.420 1.00 0.00 C ATOM 492 OE1 GLU A 541 -12.567 6.838 -2.587 1.00 0.00 O ATOM 493 OE2 GLU A 541 -13.369 6.027 -0.742 1.00 0.00 O ATOM 0 H GLU A 541 -7.682 6.588 -1.165 1.00 0.00 H new ATOM 0 HA GLU A 541 -9.668 6.115 -3.011 1.00 0.00 H new ATOM 0 HB2 GLU A 541 -9.325 7.571 -0.468 1.00 0.00 H new ATOM 0 HB3 GLU A 541 -10.567 8.272 -1.487 1.00 0.00 H new ATOM 0 HG2 GLU A 541 -10.596 5.295 -1.127 1.00 0.00 H new ATOM 0 HG3 GLU A 541 -11.057 6.278 0.249 1.00 0.00 H new ATOM 500 N GLU A 542 -8.448 9.200 -3.154 1.00 0.00 N ATOM 501 CA GLU A 542 -8.404 10.448 -3.886 1.00 0.00 C ATOM 502 C GLU A 542 -7.976 10.187 -5.326 1.00 0.00 C ATOM 503 O GLU A 542 -8.720 10.393 -6.287 1.00 0.00 O ATOM 504 CB GLU A 542 -7.424 11.389 -3.150 1.00 0.00 C ATOM 505 CG GLU A 542 -8.010 12.780 -2.983 1.00 0.00 C ATOM 506 CD GLU A 542 -9.039 12.737 -1.847 1.00 0.00 C ATOM 507 OE1 GLU A 542 -10.142 12.180 -2.038 1.00 0.00 O ATOM 508 OE2 GLU A 542 -8.695 13.152 -0.716 1.00 0.00 O ATOM 0 H GLU A 542 -7.860 9.205 -2.321 1.00 0.00 H new ATOM 0 HA GLU A 542 -9.386 10.919 -3.928 1.00 0.00 H new ATOM 0 HB2 GLU A 542 -7.185 10.974 -2.171 1.00 0.00 H new ATOM 0 HB3 GLU A 542 -6.489 11.451 -3.707 1.00 0.00 H new ATOM 0 HG2 GLU A 542 -7.223 13.499 -2.755 1.00 0.00 H new ATOM 0 HG3 GLU A 542 -8.481 13.107 -3.910 1.00 0.00 H new ATOM 515 N THR A 543 -6.756 9.684 -5.465 1.00 0.00 N ATOM 516 CA THR A 543 -6.073 9.635 -6.744 1.00 0.00 C ATOM 517 C THR A 543 -6.343 8.321 -7.503 1.00 0.00 C ATOM 518 O THR A 543 -5.869 8.140 -8.630 1.00 0.00 O ATOM 519 CB THR A 543 -4.581 9.905 -6.491 1.00 0.00 C ATOM 520 OG1 THR A 543 -4.024 9.053 -5.496 1.00 0.00 O ATOM 521 CG2 THR A 543 -4.330 11.348 -6.040 1.00 0.00 C ATOM 0 H THR A 543 -6.215 9.299 -4.691 1.00 0.00 H new ATOM 0 HA THR A 543 -6.462 10.406 -7.408 1.00 0.00 H new ATOM 0 HB THR A 543 -4.100 9.711 -7.450 1.00 0.00 H new ATOM 0 HG1 THR A 543 -4.452 9.235 -4.633 1.00 0.00 H new ATOM 0 HG21 THR A 543 -3.263 11.496 -5.872 1.00 0.00 H new ATOM 0 HG22 THR A 543 -4.675 12.036 -6.812 1.00 0.00 H new ATOM 0 HG23 THR A 543 -4.873 11.540 -5.115 1.00 0.00 H new ATOM 529 N ARG A 544 -7.090 7.387 -6.895 1.00 0.00 N ATOM 530 CA ARG A 544 -7.213 5.984 -7.294 1.00 0.00 C ATOM 531 C ARG A 544 -5.835 5.418 -7.656 1.00 0.00 C ATOM 532 O ARG A 544 -5.664 4.766 -8.688 1.00 0.00 O ATOM 533 CB ARG A 544 -8.343 5.796 -8.334 1.00 0.00 C ATOM 534 CG ARG A 544 -9.744 5.838 -7.684 1.00 0.00 C ATOM 535 CD ARG A 544 -10.319 7.235 -7.393 1.00 0.00 C ATOM 536 NE ARG A 544 -11.147 7.742 -8.493 1.00 0.00 N ATOM 537 CZ ARG A 544 -11.303 9.008 -8.891 1.00 0.00 C ATOM 538 NH1 ARG A 544 -10.595 10.020 -8.398 1.00 0.00 N ATOM 539 NH2 ARG A 544 -12.191 9.241 -9.847 1.00 0.00 N ATOM 0 H ARG A 544 -7.651 7.604 -6.071 1.00 0.00 H new ATOM 0 HA ARG A 544 -7.545 5.369 -6.458 1.00 0.00 H new ATOM 0 HB2 ARG A 544 -8.272 6.577 -9.091 1.00 0.00 H new ATOM 0 HB3 ARG A 544 -8.210 4.843 -8.845 1.00 0.00 H new ATOM 0 HG2 ARG A 544 -10.440 5.311 -8.337 1.00 0.00 H new ATOM 0 HG3 ARG A 544 -9.703 5.283 -6.747 1.00 0.00 H new ATOM 0 HD2 ARG A 544 -10.916 7.196 -6.482 1.00 0.00 H new ATOM 0 HD3 ARG A 544 -9.500 7.930 -7.209 1.00 0.00 H new ATOM 0 HE ARG A 544 -11.668 7.041 -9.019 1.00 0.00 H new ATOM 0 HH11 ARG A 544 -9.892 9.848 -7.680 1.00 0.00 H new ATOM 0 HH12 ARG A 544 -10.755 10.968 -8.738 1.00 0.00 H new ATOM 0 HH21 ARG A 544 -12.723 8.469 -10.248 1.00 0.00 H new ATOM 0 HH22 ARG A 544 -12.343 10.193 -10.181 1.00 0.00 H new ATOM 553 N LYS A 545 -4.833 5.704 -6.813 1.00 0.00 N ATOM 554 CA LYS A 545 -3.484 5.153 -6.931 1.00 0.00 C ATOM 555 C LYS A 545 -3.466 3.741 -6.363 1.00 0.00 C ATOM 556 O LYS A 545 -4.186 3.438 -5.412 1.00 0.00 O ATOM 557 CB LYS A 545 -2.446 6.070 -6.268 1.00 0.00 C ATOM 558 CG LYS A 545 -2.067 7.213 -7.230 1.00 0.00 C ATOM 559 CD LYS A 545 -1.111 8.200 -6.556 1.00 0.00 C ATOM 560 CE LYS A 545 -1.112 9.601 -7.173 1.00 0.00 C ATOM 561 NZ LYS A 545 -0.601 9.679 -8.555 1.00 0.00 N ATOM 0 H LYS A 545 -4.943 6.335 -6.019 1.00 0.00 H new ATOM 0 HA LYS A 545 -3.205 5.098 -7.983 1.00 0.00 H new ATOM 0 HB2 LYS A 545 -2.849 6.481 -5.342 1.00 0.00 H new ATOM 0 HB3 LYS A 545 -1.558 5.497 -6.003 1.00 0.00 H new ATOM 0 HG2 LYS A 545 -1.600 6.801 -8.124 1.00 0.00 H new ATOM 0 HG3 LYS A 545 -2.967 7.736 -7.553 1.00 0.00 H new ATOM 0 HD2 LYS A 545 -1.375 8.280 -5.501 1.00 0.00 H new ATOM 0 HD3 LYS A 545 -0.099 7.797 -6.602 1.00 0.00 H new ATOM 0 HE2 LYS A 545 -2.131 9.987 -7.157 1.00 0.00 H new ATOM 0 HE3 LYS A 545 -0.513 10.258 -6.543 1.00 0.00 H new ATOM 0 HZ1 LYS A 545 -0.641 10.664 -8.885 1.00 0.00 H new ATOM 0 HZ2 LYS A 545 0.384 9.345 -8.580 1.00 0.00 H new ATOM 0 HZ3 LYS A 545 -1.185 9.082 -9.175 1.00 0.00 H new ATOM 575 N LEU A 546 -2.646 2.883 -6.966 1.00 0.00 N ATOM 576 CA LEU A 546 -2.646 1.454 -6.699 1.00 0.00 C ATOM 577 C LEU A 546 -2.020 1.191 -5.328 1.00 0.00 C ATOM 578 O LEU A 546 -0.880 1.581 -5.063 1.00 0.00 O ATOM 579 CB LEU A 546 -1.894 0.731 -7.827 1.00 0.00 C ATOM 580 CG LEU A 546 -1.775 -0.793 -7.632 1.00 0.00 C ATOM 581 CD1 LEU A 546 -3.154 -1.458 -7.585 1.00 0.00 C ATOM 582 CD2 LEU A 546 -0.965 -1.406 -8.780 1.00 0.00 C ATOM 0 H LEU A 546 -1.956 3.168 -7.661 1.00 0.00 H new ATOM 0 HA LEU A 546 -3.665 1.068 -6.674 1.00 0.00 H new ATOM 0 HB2 LEU A 546 -2.403 0.926 -8.771 1.00 0.00 H new ATOM 0 HB3 LEU A 546 -0.893 1.154 -7.911 1.00 0.00 H new ATOM 0 HG LEU A 546 -1.270 -0.967 -6.682 1.00 0.00 H new ATOM 0 HD11 LEU A 546 -3.035 -2.533 -7.447 1.00 0.00 H new ATOM 0 HD12 LEU A 546 -3.728 -1.047 -6.755 1.00 0.00 H new ATOM 0 HD13 LEU A 546 -3.681 -1.269 -8.520 1.00 0.00 H new ATOM 0 HD21 LEU A 546 -0.886 -2.483 -8.635 1.00 0.00 H new ATOM 0 HD22 LEU A 546 -1.465 -1.204 -9.727 1.00 0.00 H new ATOM 0 HD23 LEU A 546 0.033 -0.968 -8.796 1.00 0.00 H new ATOM 594 N MET A 547 -2.751 0.503 -4.458 1.00 0.00 N ATOM 595 CA MET A 547 -2.377 0.279 -3.072 1.00 0.00 C ATOM 596 C MET A 547 -2.043 -1.207 -2.869 1.00 0.00 C ATOM 597 O MET A 547 -2.945 -2.008 -2.641 1.00 0.00 O ATOM 598 CB MET A 547 -3.537 0.786 -2.199 1.00 0.00 C ATOM 599 CG MET A 547 -3.133 0.936 -0.735 1.00 0.00 C ATOM 600 SD MET A 547 -4.192 2.012 0.259 1.00 0.00 S ATOM 601 CE MET A 547 -3.396 1.821 1.873 1.00 0.00 C ATOM 0 H MET A 547 -3.643 0.076 -4.707 1.00 0.00 H new ATOM 0 HA MET A 547 -1.479 0.825 -2.785 1.00 0.00 H new ATOM 0 HB2 MET A 547 -3.883 1.747 -2.579 1.00 0.00 H new ATOM 0 HB3 MET A 547 -4.375 0.094 -2.274 1.00 0.00 H new ATOM 0 HG2 MET A 547 -3.118 -0.053 -0.277 1.00 0.00 H new ATOM 0 HG3 MET A 547 -2.114 1.321 -0.695 1.00 0.00 H new ATOM 0 HE1 MET A 547 -3.925 2.422 2.613 1.00 0.00 H new ATOM 0 HE2 MET A 547 -3.423 0.773 2.170 1.00 0.00 H new ATOM 0 HE3 MET A 547 -2.360 2.153 1.809 1.00 0.00 H new ATOM 611 N PRO A 548 -0.786 -1.664 -2.976 1.00 0.00 N ATOM 612 CA PRO A 548 -0.503 -3.076 -2.754 1.00 0.00 C ATOM 613 C PRO A 548 -0.695 -3.394 -1.269 1.00 0.00 C ATOM 614 O PRO A 548 -0.395 -2.541 -0.424 1.00 0.00 O ATOM 615 CB PRO A 548 0.934 -3.278 -3.216 1.00 0.00 C ATOM 616 CG PRO A 548 1.580 -1.922 -2.970 1.00 0.00 C ATOM 617 CD PRO A 548 0.444 -0.909 -3.144 1.00 0.00 C ATOM 0 HA PRO A 548 -1.167 -3.745 -3.301 1.00 0.00 H new ATOM 0 HB2 PRO A 548 1.430 -4.067 -2.651 1.00 0.00 H new ATOM 0 HB3 PRO A 548 0.982 -3.560 -4.268 1.00 0.00 H new ATOM 0 HG2 PRO A 548 2.011 -1.865 -1.970 1.00 0.00 H new ATOM 0 HG3 PRO A 548 2.388 -1.735 -3.677 1.00 0.00 H new ATOM 0 HD2 PRO A 548 0.516 -0.109 -2.407 1.00 0.00 H new ATOM 0 HD3 PRO A 548 0.485 -0.441 -4.127 1.00 0.00 H new ATOM 625 N ILE A 549 -1.167 -4.595 -0.935 1.00 0.00 N ATOM 626 CA ILE A 549 -1.284 -5.079 0.437 1.00 0.00 C ATOM 627 C ILE A 549 -0.887 -6.544 0.411 1.00 0.00 C ATOM 628 O ILE A 549 -1.418 -7.327 -0.376 1.00 0.00 O ATOM 629 CB ILE A 549 -2.714 -4.915 0.986 1.00 0.00 C ATOM 630 CG1 ILE A 549 -3.203 -3.458 1.032 1.00 0.00 C ATOM 631 CG2 ILE A 549 -2.930 -5.586 2.356 1.00 0.00 C ATOM 632 CD1 ILE A 549 -2.559 -2.535 2.072 1.00 0.00 C ATOM 0 H ILE A 549 -1.485 -5.272 -1.628 1.00 0.00 H new ATOM 0 HA ILE A 549 -0.639 -4.500 1.098 1.00 0.00 H new ATOM 0 HB ILE A 549 -3.325 -5.443 0.254 1.00 0.00 H new ATOM 0 HG12 ILE A 549 -3.047 -3.018 0.047 1.00 0.00 H new ATOM 0 HG13 ILE A 549 -4.278 -3.468 1.209 1.00 0.00 H new ATOM 0 HG21 ILE A 549 -3.959 -5.429 2.680 1.00 0.00 H new ATOM 0 HG22 ILE A 549 -2.735 -6.655 2.272 1.00 0.00 H new ATOM 0 HG23 ILE A 549 -2.249 -5.149 3.087 1.00 0.00 H new ATOM 0 HD11 ILE A 549 -2.996 -1.539 1.995 1.00 0.00 H new ATOM 0 HD12 ILE A 549 -2.737 -2.933 3.071 1.00 0.00 H new ATOM 0 HD13 ILE A 549 -1.486 -2.476 1.891 1.00 0.00 H new ATOM 644 N CYS A 550 0.004 -6.910 1.321 1.00 0.00 N ATOM 645 CA CYS A 550 0.316 -8.300 1.575 1.00 0.00 C ATOM 646 C CYS A 550 -0.886 -8.879 2.311 1.00 0.00 C ATOM 647 O CYS A 550 -1.068 -8.591 3.496 1.00 0.00 O ATOM 648 CB CYS A 550 1.598 -8.412 2.405 1.00 0.00 C ATOM 649 SG CYS A 550 2.227 -10.108 2.300 1.00 0.00 S ATOM 0 H CYS A 550 0.526 -6.252 1.899 1.00 0.00 H new ATOM 0 HA CYS A 550 0.498 -8.851 0.652 1.00 0.00 H new ATOM 0 HB2 CYS A 550 2.346 -7.710 2.037 1.00 0.00 H new ATOM 0 HB3 CYS A 550 1.398 -8.149 3.444 1.00 0.00 H new ATOM 0 HG CYS A 550 2.631 -10.347 1.088 1.00 0.00 H new ATOM 655 N MET A 551 -1.709 -9.690 1.636 1.00 0.00 N ATOM 656 CA MET A 551 -2.907 -10.267 2.251 1.00 0.00 C ATOM 657 C MET A 551 -2.586 -11.235 3.403 1.00 0.00 C ATOM 658 O MET A 551 -3.488 -11.798 4.020 1.00 0.00 O ATOM 659 CB MET A 551 -3.818 -10.928 1.203 1.00 0.00 C ATOM 660 CG MET A 551 -3.238 -12.208 0.590 1.00 0.00 C ATOM 661 SD MET A 551 -4.463 -13.510 0.280 1.00 0.00 S ATOM 662 CE MET A 551 -5.190 -12.894 -1.257 1.00 0.00 C ATOM 0 H MET A 551 -1.566 -9.961 0.663 1.00 0.00 H new ATOM 0 HA MET A 551 -3.451 -9.433 2.693 1.00 0.00 H new ATOM 0 HB2 MET A 551 -4.777 -11.161 1.666 1.00 0.00 H new ATOM 0 HB3 MET A 551 -4.015 -10.212 0.405 1.00 0.00 H new ATOM 0 HG2 MET A 551 -2.747 -11.956 -0.350 1.00 0.00 H new ATOM 0 HG3 MET A 551 -2.469 -12.600 1.256 1.00 0.00 H new ATOM 0 HE1 MET A 551 -6.027 -13.531 -1.545 1.00 0.00 H new ATOM 0 HE2 MET A 551 -5.544 -11.874 -1.109 1.00 0.00 H new ATOM 0 HE3 MET A 551 -4.438 -12.906 -2.046 1.00 0.00 H new ATOM 672 N ASP A 552 -1.307 -11.488 3.661 1.00 0.00 N ATOM 673 CA ASP A 552 -0.789 -12.219 4.805 1.00 0.00 C ATOM 674 C ASP A 552 -0.991 -11.453 6.108 1.00 0.00 C ATOM 675 O ASP A 552 -1.202 -12.064 7.151 1.00 0.00 O ATOM 676 CB ASP A 552 0.699 -12.405 4.547 1.00 0.00 C ATOM 677 CG ASP A 552 1.424 -13.278 5.566 1.00 0.00 C ATOM 678 OD1 ASP A 552 0.837 -14.288 6.023 1.00 0.00 O ATOM 679 OD2 ASP A 552 2.640 -13.030 5.734 1.00 0.00 O ATOM 0 H ASP A 552 -0.564 -11.169 3.039 1.00 0.00 H new ATOM 0 HA ASP A 552 -1.314 -13.168 4.915 1.00 0.00 H new ATOM 0 HB2 ASP A 552 0.829 -12.843 3.557 1.00 0.00 H new ATOM 0 HB3 ASP A 552 1.175 -11.424 4.527 1.00 0.00 H new ATOM 684 N VAL A 553 -0.949 -10.117 6.069 1.00 0.00 N ATOM 685 CA VAL A 553 -1.086 -9.284 7.259 1.00 0.00 C ATOM 686 C VAL A 553 -2.576 -9.131 7.549 1.00 0.00 C ATOM 687 O VAL A 553 -3.204 -8.112 7.244 1.00 0.00 O ATOM 688 CB VAL A 553 -0.325 -7.952 7.101 1.00 0.00 C ATOM 689 CG1 VAL A 553 -0.297 -7.192 8.436 1.00 0.00 C ATOM 690 CG2 VAL A 553 1.127 -8.215 6.675 1.00 0.00 C ATOM 0 H VAL A 553 -0.819 -9.586 5.208 1.00 0.00 H new ATOM 0 HA VAL A 553 -0.622 -9.753 8.127 1.00 0.00 H new ATOM 0 HB VAL A 553 -0.839 -7.361 6.342 1.00 0.00 H new ATOM 0 HG11 VAL A 553 0.243 -6.254 8.309 1.00 0.00 H new ATOM 0 HG12 VAL A 553 -1.317 -6.983 8.757 1.00 0.00 H new ATOM 0 HG13 VAL A 553 0.203 -7.800 9.190 1.00 0.00 H new ATOM 0 HG21 VAL A 553 1.652 -7.266 6.567 1.00 0.00 H new ATOM 0 HG22 VAL A 553 1.624 -8.821 7.432 1.00 0.00 H new ATOM 0 HG23 VAL A 553 1.136 -8.745 5.723 1.00 0.00 H new ATOM 700 N ARG A 554 -3.163 -10.175 8.136 1.00 0.00 N ATOM 701 CA ARG A 554 -4.577 -10.201 8.486 1.00 0.00 C ATOM 702 C ARG A 554 -4.951 -9.020 9.386 1.00 0.00 C ATOM 703 O ARG A 554 -6.095 -8.570 9.311 1.00 0.00 O ATOM 704 CB ARG A 554 -4.945 -11.560 9.099 1.00 0.00 C ATOM 705 CG ARG A 554 -4.683 -12.784 8.195 1.00 0.00 C ATOM 706 CD ARG A 554 -5.257 -12.661 6.772 1.00 0.00 C ATOM 707 NE ARG A 554 -5.399 -13.976 6.119 1.00 0.00 N ATOM 708 CZ ARG A 554 -5.783 -14.226 4.860 1.00 0.00 C ATOM 709 NH1 ARG A 554 -5.844 -13.256 3.952 1.00 0.00 N ATOM 710 NH2 ARG A 554 -6.105 -15.460 4.498 1.00 0.00 N ATOM 0 H ARG A 554 -2.664 -11.030 8.382 1.00 0.00 H new ATOM 0 HA ARG A 554 -5.169 -10.084 7.578 1.00 0.00 H new ATOM 0 HB2 ARG A 554 -4.384 -11.686 10.025 1.00 0.00 H new ATOM 0 HB3 ARG A 554 -6.002 -11.546 9.366 1.00 0.00 H new ATOM 0 HG2 ARG A 554 -3.607 -12.946 8.127 1.00 0.00 H new ATOM 0 HG3 ARG A 554 -5.109 -13.668 8.670 1.00 0.00 H new ATOM 0 HD2 ARG A 554 -6.229 -12.170 6.814 1.00 0.00 H new ATOM 0 HD3 ARG A 554 -4.605 -12.026 6.172 1.00 0.00 H new ATOM 0 HE ARG A 554 -5.179 -14.790 6.693 1.00 0.00 H new ATOM 0 HH11 ARG A 554 -5.596 -12.301 4.209 1.00 0.00 H new ATOM 0 HH12 ARG A 554 -6.139 -13.468 2.999 1.00 0.00 H new ATOM 0 HH21 ARG A 554 -6.060 -16.219 5.178 1.00 0.00 H new ATOM 0 HH22 ARG A 554 -6.397 -15.650 3.540 1.00 0.00 H new ATOM 724 N ALA A 555 -4.013 -8.468 10.162 1.00 0.00 N ATOM 725 CA ALA A 555 -4.221 -7.269 10.966 1.00 0.00 C ATOM 726 C ALA A 555 -4.529 -6.015 10.134 1.00 0.00 C ATOM 727 O ALA A 555 -5.377 -5.210 10.525 1.00 0.00 O ATOM 728 CB ALA A 555 -2.976 -7.031 11.820 1.00 0.00 C ATOM 0 H ALA A 555 -3.072 -8.852 10.248 1.00 0.00 H new ATOM 0 HA ALA A 555 -5.100 -7.443 11.586 1.00 0.00 H new ATOM 0 HB1 ALA A 555 -3.117 -6.137 12.427 1.00 0.00 H new ATOM 0 HB2 ALA A 555 -2.812 -7.890 12.471 1.00 0.00 H new ATOM 0 HB3 ALA A 555 -2.110 -6.897 11.172 1.00 0.00 H new ATOM 734 N ILE A 556 -3.828 -5.804 9.016 1.00 0.00 N ATOM 735 CA ILE A 556 -4.115 -4.739 8.048 1.00 0.00 C ATOM 736 C ILE A 556 -5.461 -5.055 7.396 1.00 0.00 C ATOM 737 O ILE A 556 -6.312 -4.166 7.296 1.00 0.00 O ATOM 738 CB ILE A 556 -2.944 -4.631 7.035 1.00 0.00 C ATOM 739 CG1 ILE A 556 -1.775 -3.874 7.706 1.00 0.00 C ATOM 740 CG2 ILE A 556 -3.349 -3.963 5.711 1.00 0.00 C ATOM 741 CD1 ILE A 556 -0.511 -3.759 6.843 1.00 0.00 C ATOM 0 H ILE A 556 -3.029 -6.380 8.752 1.00 0.00 H new ATOM 0 HA ILE A 556 -4.194 -3.761 8.523 1.00 0.00 H new ATOM 0 HB ILE A 556 -2.635 -5.642 6.768 1.00 0.00 H new ATOM 0 HG12 ILE A 556 -2.112 -2.871 7.969 1.00 0.00 H new ATOM 0 HG13 ILE A 556 -1.519 -4.379 8.637 1.00 0.00 H new ATOM 0 HG21 ILE A 556 -2.486 -3.918 5.047 1.00 0.00 H new ATOM 0 HG22 ILE A 556 -4.141 -4.544 5.238 1.00 0.00 H new ATOM 0 HG23 ILE A 556 -3.708 -2.953 5.908 1.00 0.00 H new ATOM 0 HD11 ILE A 556 0.256 -3.214 7.393 1.00 0.00 H new ATOM 0 HD12 ILE A 556 -0.144 -4.756 6.600 1.00 0.00 H new ATOM 0 HD13 ILE A 556 -0.746 -3.225 5.922 1.00 0.00 H new ATOM 753 N MET A 557 -5.664 -6.314 6.994 1.00 0.00 N ATOM 754 CA MET A 557 -6.860 -6.718 6.264 1.00 0.00 C ATOM 755 C MET A 557 -8.114 -6.424 7.088 1.00 0.00 C ATOM 756 O MET A 557 -9.061 -5.831 6.581 1.00 0.00 O ATOM 757 CB MET A 557 -6.799 -8.198 5.871 1.00 0.00 C ATOM 758 CG MET A 557 -5.533 -8.629 5.118 1.00 0.00 C ATOM 759 SD MET A 557 -5.939 -9.446 3.572 1.00 0.00 S ATOM 760 CE MET A 557 -6.411 -7.936 2.707 1.00 0.00 C ATOM 0 H MET A 557 -5.006 -7.074 7.166 1.00 0.00 H new ATOM 0 HA MET A 557 -6.907 -6.135 5.344 1.00 0.00 H new ATOM 0 HB2 MET A 557 -6.886 -8.800 6.775 1.00 0.00 H new ATOM 0 HB3 MET A 557 -7.666 -8.428 5.251 1.00 0.00 H new ATOM 0 HG2 MET A 557 -4.911 -7.756 4.918 1.00 0.00 H new ATOM 0 HG3 MET A 557 -4.946 -9.301 5.744 1.00 0.00 H new ATOM 0 HE1 MET A 557 -7.433 -8.031 2.340 1.00 0.00 H new ATOM 0 HE2 MET A 557 -6.348 -7.090 3.391 1.00 0.00 H new ATOM 0 HE3 MET A 557 -5.737 -7.773 1.866 1.00 0.00 H new ATOM 770 N ALA A 558 -8.086 -6.711 8.394 1.00 0.00 N ATOM 771 CA ALA A 558 -9.203 -6.455 9.295 1.00 0.00 C ATOM 772 C ALA A 558 -9.610 -4.975 9.339 1.00 0.00 C ATOM 773 O ALA A 558 -10.726 -4.679 9.749 1.00 0.00 O ATOM 774 CB ALA A 558 -8.846 -6.947 10.699 1.00 0.00 C ATOM 0 H ALA A 558 -7.278 -7.131 8.854 1.00 0.00 H new ATOM 0 HA ALA A 558 -10.064 -7.002 8.910 1.00 0.00 H new ATOM 0 HB1 ALA A 558 -9.680 -6.756 11.374 1.00 0.00 H new ATOM 0 HB2 ALA A 558 -8.641 -8.017 10.668 1.00 0.00 H new ATOM 0 HB3 ALA A 558 -7.962 -6.418 11.056 1.00 0.00 H new ATOM 780 N THR A 559 -8.751 -4.043 8.914 1.00 0.00 N ATOM 781 CA THR A 559 -9.139 -2.648 8.747 1.00 0.00 C ATOM 782 C THR A 559 -9.872 -2.474 7.403 1.00 0.00 C ATOM 783 O THR A 559 -10.988 -1.955 7.368 1.00 0.00 O ATOM 784 CB THR A 559 -7.903 -1.737 8.881 1.00 0.00 C ATOM 785 OG1 THR A 559 -7.077 -2.149 9.960 1.00 0.00 O ATOM 786 CG2 THR A 559 -8.316 -0.283 9.125 1.00 0.00 C ATOM 0 H THR A 559 -7.777 -4.236 8.679 1.00 0.00 H new ATOM 0 HA THR A 559 -9.833 -2.351 9.533 1.00 0.00 H new ATOM 0 HB THR A 559 -7.351 -1.814 7.944 1.00 0.00 H new ATOM 0 HG1 THR A 559 -6.299 -1.556 10.022 1.00 0.00 H new ATOM 0 HG21 THR A 559 -7.425 0.338 9.216 1.00 0.00 H new ATOM 0 HG22 THR A 559 -8.920 0.069 8.289 1.00 0.00 H new ATOM 0 HG23 THR A 559 -8.898 -0.219 10.045 1.00 0.00 H new ATOM 794 N ILE A 560 -9.267 -2.895 6.285 1.00 0.00 N ATOM 795 CA ILE A 560 -9.806 -2.720 4.937 1.00 0.00 C ATOM 796 C ILE A 560 -11.125 -3.488 4.793 1.00 0.00 C ATOM 797 O ILE A 560 -12.170 -2.863 4.584 1.00 0.00 O ATOM 798 CB ILE A 560 -8.755 -3.144 3.890 1.00 0.00 C ATOM 799 CG1 ILE A 560 -7.490 -2.267 3.970 1.00 0.00 C ATOM 800 CG2 ILE A 560 -9.331 -3.054 2.467 1.00 0.00 C ATOM 801 CD1 ILE A 560 -6.268 -2.982 3.381 1.00 0.00 C ATOM 0 H ILE A 560 -8.368 -3.378 6.297 1.00 0.00 H new ATOM 0 HA ILE A 560 -10.029 -1.668 4.761 1.00 0.00 H new ATOM 0 HB ILE A 560 -8.486 -4.176 4.113 1.00 0.00 H new ATOM 0 HG12 ILE A 560 -7.659 -1.333 3.433 1.00 0.00 H new ATOM 0 HG13 ILE A 560 -7.293 -2.006 5.010 1.00 0.00 H new ATOM 0 HG21 ILE A 560 -8.571 -3.358 1.747 1.00 0.00 H new ATOM 0 HG22 ILE A 560 -10.195 -3.713 2.382 1.00 0.00 H new ATOM 0 HG23 ILE A 560 -9.635 -2.028 2.262 1.00 0.00 H new ATOM 0 HD11 ILE A 560 -5.396 -2.333 3.455 1.00 0.00 H new ATOM 0 HD12 ILE A 560 -6.083 -3.903 3.935 1.00 0.00 H new ATOM 0 HD13 ILE A 560 -6.455 -3.220 2.334 1.00 0.00 H new ATOM 813 N GLN A 561 -11.112 -4.813 4.924 1.00 0.00 N ATOM 814 CA GLN A 561 -12.259 -5.700 4.850 1.00 0.00 C ATOM 815 C GLN A 561 -13.340 -5.402 5.903 1.00 0.00 C ATOM 816 O GLN A 561 -14.378 -6.055 5.905 1.00 0.00 O ATOM 817 CB GLN A 561 -11.780 -7.145 4.989 1.00 0.00 C ATOM 818 CG GLN A 561 -11.102 -7.728 3.742 1.00 0.00 C ATOM 819 CD GLN A 561 -9.972 -6.893 3.155 1.00 0.00 C ATOM 820 OE1 GLN A 561 -8.983 -6.599 3.804 1.00 0.00 O ATOM 821 NE2 GLN A 561 -10.119 -6.478 1.910 1.00 0.00 N ATOM 0 H GLN A 561 -10.245 -5.322 5.095 1.00 0.00 H new ATOM 0 HA GLN A 561 -12.729 -5.535 3.880 1.00 0.00 H new ATOM 0 HB2 GLN A 561 -11.081 -7.201 5.824 1.00 0.00 H new ATOM 0 HB3 GLN A 561 -12.634 -7.772 5.246 1.00 0.00 H new ATOM 0 HG2 GLN A 561 -10.709 -8.714 3.992 1.00 0.00 H new ATOM 0 HG3 GLN A 561 -11.860 -7.872 2.972 1.00 0.00 H new ATOM 0 HE21 GLN A 561 -10.953 -6.734 1.382 1.00 0.00 H new ATOM 0 HE22 GLN A 561 -9.398 -5.901 1.476 1.00 0.00 H new ATOM 830 N ARG A 562 -13.124 -4.470 6.835 1.00 0.00 N ATOM 831 CA ARG A 562 -14.176 -3.911 7.675 1.00 0.00 C ATOM 832 C ARG A 562 -14.678 -2.588 7.110 1.00 0.00 C ATOM 833 O ARG A 562 -15.888 -2.370 7.094 1.00 0.00 O ATOM 834 CB ARG A 562 -13.632 -3.789 9.099 1.00 0.00 C ATOM 835 CG ARG A 562 -14.668 -3.322 10.125 1.00 0.00 C ATOM 836 CD ARG A 562 -14.716 -1.806 10.337 1.00 0.00 C ATOM 837 NE ARG A 562 -15.802 -1.145 9.598 1.00 0.00 N ATOM 838 CZ ARG A 562 -16.275 0.080 9.837 1.00 0.00 C ATOM 839 NH1 ARG A 562 -15.917 0.746 10.931 1.00 0.00 N ATOM 840 NH2 ARG A 562 -17.093 0.643 8.961 1.00 0.00 N ATOM 0 H ARG A 562 -12.201 -4.080 7.026 1.00 0.00 H new ATOM 0 HA ARG A 562 -15.046 -4.568 7.693 1.00 0.00 H new ATOM 0 HB2 ARG A 562 -13.238 -4.757 9.410 1.00 0.00 H new ATOM 0 HB3 ARG A 562 -12.796 -3.090 9.099 1.00 0.00 H new ATOM 0 HG2 ARG A 562 -15.654 -3.663 9.808 1.00 0.00 H new ATOM 0 HG3 ARG A 562 -14.457 -3.803 11.080 1.00 0.00 H new ATOM 0 HD2 ARG A 562 -14.833 -1.599 11.401 1.00 0.00 H new ATOM 0 HD3 ARG A 562 -13.763 -1.374 10.031 1.00 0.00 H new ATOM 0 HE ARG A 562 -16.232 -1.669 8.836 1.00 0.00 H new ATOM 0 HH11 ARG A 562 -15.274 0.321 11.599 1.00 0.00 H new ATOM 0 HH12 ARG A 562 -16.286 1.682 11.102 1.00 0.00 H new ATOM 0 HH21 ARG A 562 -17.356 0.141 8.113 1.00 0.00 H new ATOM 0 HH22 ARG A 562 -17.460 1.579 9.134 1.00 0.00 H new ATOM 854 N LYS A 563 -13.785 -1.682 6.698 1.00 0.00 N ATOM 855 CA LYS A 563 -14.129 -0.384 6.128 1.00 0.00 C ATOM 856 C LYS A 563 -15.089 -0.588 4.957 1.00 0.00 C ATOM 857 O LYS A 563 -16.207 -0.080 4.971 1.00 0.00 O ATOM 858 CB LYS A 563 -12.842 0.341 5.680 1.00 0.00 C ATOM 859 CG LYS A 563 -13.081 1.810 5.291 1.00 0.00 C ATOM 860 CD LYS A 563 -12.959 2.763 6.489 1.00 0.00 C ATOM 861 CE LYS A 563 -11.487 3.094 6.789 1.00 0.00 C ATOM 862 NZ LYS A 563 -11.145 4.478 6.402 1.00 0.00 N ATOM 0 H LYS A 563 -12.779 -1.839 6.755 1.00 0.00 H new ATOM 0 HA LYS A 563 -14.624 0.237 6.875 1.00 0.00 H new ATOM 0 HB2 LYS A 563 -12.109 0.299 6.486 1.00 0.00 H new ATOM 0 HB3 LYS A 563 -12.411 -0.188 4.830 1.00 0.00 H new ATOM 0 HG2 LYS A 563 -12.363 2.101 4.525 1.00 0.00 H new ATOM 0 HG3 LYS A 563 -14.074 1.909 4.852 1.00 0.00 H new ATOM 0 HD2 LYS A 563 -13.506 3.683 6.283 1.00 0.00 H new ATOM 0 HD3 LYS A 563 -13.418 2.309 7.367 1.00 0.00 H new ATOM 0 HE2 LYS A 563 -11.293 2.956 7.853 1.00 0.00 H new ATOM 0 HE3 LYS A 563 -10.842 2.397 6.254 1.00 0.00 H new ATOM 0 HZ1 LYS A 563 -10.145 4.662 6.620 1.00 0.00 H new ATOM 0 HZ2 LYS A 563 -11.306 4.603 5.382 1.00 0.00 H new ATOM 0 HZ3 LYS A 563 -11.743 5.144 6.931 1.00 0.00 H new ATOM 876 N TYR A 564 -14.645 -1.344 3.956 1.00 0.00 N ATOM 877 CA TYR A 564 -15.313 -1.517 2.676 1.00 0.00 C ATOM 878 C TYR A 564 -16.324 -2.655 2.783 1.00 0.00 C ATOM 879 O TYR A 564 -16.271 -3.607 2.018 1.00 0.00 O ATOM 880 CB TYR A 564 -14.252 -1.733 1.582 1.00 0.00 C ATOM 881 CG TYR A 564 -13.356 -0.524 1.396 1.00 0.00 C ATOM 882 CD1 TYR A 564 -13.760 0.493 0.518 1.00 0.00 C ATOM 883 CD2 TYR A 564 -12.189 -0.361 2.169 1.00 0.00 C ATOM 884 CE1 TYR A 564 -13.047 1.701 0.464 1.00 0.00 C ATOM 885 CE2 TYR A 564 -11.472 0.849 2.133 1.00 0.00 C ATOM 886 CZ TYR A 564 -11.933 1.903 1.309 1.00 0.00 C ATOM 887 OH TYR A 564 -11.378 3.140 1.394 1.00 0.00 O ATOM 0 H TYR A 564 -13.775 -1.872 4.021 1.00 0.00 H new ATOM 0 HA TYR A 564 -15.877 -0.627 2.398 1.00 0.00 H new ATOM 0 HB2 TYR A 564 -13.641 -2.598 1.839 1.00 0.00 H new ATOM 0 HB3 TYR A 564 -14.748 -1.962 0.639 1.00 0.00 H new ATOM 0 HD1 TYR A 564 -14.621 0.346 -0.117 1.00 0.00 H new ATOM 0 HD2 TYR A 564 -11.842 -1.171 2.794 1.00 0.00 H new ATOM 0 HE1 TYR A 564 -13.350 2.476 -0.224 1.00 0.00 H new ATOM 0 HE2 TYR A 564 -10.579 0.972 2.728 1.00 0.00 H new ATOM 0 HH TYR A 564 -10.622 3.117 2.017 1.00 0.00 H new ATOM 897 N LYS A 565 -17.266 -2.564 3.721 1.00 0.00 N ATOM 898 CA LYS A 565 -18.249 -3.537 4.100 1.00 0.00 C ATOM 899 C LYS A 565 -17.760 -4.976 4.169 1.00 0.00 C ATOM 900 O LYS A 565 -16.585 -5.260 4.348 1.00 0.00 O ATOM 901 CB LYS A 565 -19.502 -3.250 3.276 1.00 0.00 C ATOM 902 CG LYS A 565 -19.336 -3.778 1.849 1.00 0.00 C ATOM 903 CD LYS A 565 -20.619 -4.012 1.061 1.00 0.00 C ATOM 904 CE LYS A 565 -21.288 -5.341 1.408 1.00 0.00 C ATOM 905 NZ LYS A 565 -20.753 -6.516 0.683 1.00 0.00 N ATOM 0 H LYS A 565 -17.355 -1.716 4.281 1.00 0.00 H new ATOM 0 HA LYS A 565 -18.508 -3.427 5.153 1.00 0.00 H new ATOM 0 HB2 LYS A 565 -20.368 -3.717 3.745 1.00 0.00 H new ATOM 0 HB3 LYS A 565 -19.692 -2.177 3.254 1.00 0.00 H new ATOM 0 HG2 LYS A 565 -18.717 -3.073 1.293 1.00 0.00 H new ATOM 0 HG3 LYS A 565 -18.786 -4.718 1.894 1.00 0.00 H new ATOM 0 HD2 LYS A 565 -21.315 -3.197 1.257 1.00 0.00 H new ATOM 0 HD3 LYS A 565 -20.395 -3.990 -0.006 1.00 0.00 H new ATOM 0 HE2 LYS A 565 -21.184 -5.515 2.479 1.00 0.00 H new ATOM 0 HE3 LYS A 565 -22.355 -5.259 1.201 1.00 0.00 H new ATOM 0 HZ1 LYS A 565 -21.524 -6.987 0.168 1.00 0.00 H new ATOM 0 HZ2 LYS A 565 -20.025 -6.206 0.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 565 -20.333 -7.182 1.363 1.00 0.00 H new ATOM 919 N GLY A 566 -18.717 -5.882 4.050 1.00 0.00 N ATOM 920 CA GLY A 566 -18.612 -7.193 3.464 1.00 0.00 C ATOM 921 C GLY A 566 -17.856 -7.302 2.143 1.00 0.00 C ATOM 922 O GLY A 566 -18.377 -7.934 1.228 1.00 0.00 O ATOM 0 H GLY A 566 -19.660 -5.697 4.391 1.00 0.00 H new ATOM 0 HA2 GLY A 566 -18.128 -7.849 4.187 1.00 0.00 H new ATOM 0 HA3 GLY A 566 -19.620 -7.577 3.310 1.00 0.00 H new ATOM 926 N ILE A 567 -16.719 -6.651 1.953 1.00 0.00 N ATOM 927 CA ILE A 567 -15.762 -7.111 0.951 1.00 0.00 C ATOM 928 C ILE A 567 -15.083 -8.370 1.503 1.00 0.00 C ATOM 929 O ILE A 567 -14.816 -8.464 2.706 1.00 0.00 O ATOM 930 CB ILE A 567 -14.786 -5.974 0.609 1.00 0.00 C ATOM 931 CG1 ILE A 567 -13.936 -6.238 -0.645 1.00 0.00 C ATOM 932 CG2 ILE A 567 -13.932 -5.560 1.808 1.00 0.00 C ATOM 933 CD1 ILE A 567 -12.469 -6.564 -0.403 1.00 0.00 C ATOM 0 H ILE A 567 -16.437 -5.817 2.468 1.00 0.00 H new ATOM 0 HA ILE A 567 -16.244 -7.378 0.011 1.00 0.00 H new ATOM 0 HB ILE A 567 -15.418 -5.123 0.355 1.00 0.00 H new ATOM 0 HG12 ILE A 567 -14.385 -7.065 -1.196 1.00 0.00 H new ATOM 0 HG13 ILE A 567 -13.991 -5.359 -1.288 1.00 0.00 H new ATOM 0 HG21 ILE A 567 -13.259 -4.754 1.515 1.00 0.00 H new ATOM 0 HG22 ILE A 567 -14.580 -5.217 2.615 1.00 0.00 H new ATOM 0 HG23 ILE A 567 -13.347 -6.414 2.151 1.00 0.00 H new ATOM 0 HD11 ILE A 567 -11.971 -6.731 -1.358 1.00 0.00 H new ATOM 0 HD12 ILE A 567 -11.992 -5.732 0.115 1.00 0.00 H new ATOM 0 HD13 ILE A 567 -12.392 -7.463 0.208 1.00 0.00 H new ATOM 945 N LYS A 568 -14.765 -9.336 0.644 1.00 0.00 N ATOM 946 CA LYS A 568 -14.175 -10.620 1.030 1.00 0.00 C ATOM 947 C LYS A 568 -12.970 -10.861 0.141 1.00 0.00 C ATOM 948 O LYS A 568 -13.070 -10.634 -1.056 1.00 0.00 O ATOM 949 CB LYS A 568 -15.251 -11.710 0.902 1.00 0.00 C ATOM 950 CG LYS A 568 -14.803 -13.117 1.344 1.00 0.00 C ATOM 951 CD LYS A 568 -14.394 -14.016 0.170 1.00 0.00 C ATOM 952 CE LYS A 568 -14.082 -15.429 0.673 1.00 0.00 C ATOM 953 NZ LYS A 568 -13.992 -16.406 -0.430 1.00 0.00 N ATOM 0 H LYS A 568 -14.913 -9.248 -0.361 1.00 0.00 H new ATOM 0 HA LYS A 568 -13.833 -10.629 2.065 1.00 0.00 H new ATOM 0 HB2 LYS A 568 -16.117 -11.417 1.495 1.00 0.00 H new ATOM 0 HB3 LYS A 568 -15.578 -11.758 -0.137 1.00 0.00 H new ATOM 0 HG2 LYS A 568 -13.963 -13.025 2.033 1.00 0.00 H new ATOM 0 HG3 LYS A 568 -15.615 -13.594 1.893 1.00 0.00 H new ATOM 0 HD2 LYS A 568 -15.196 -14.053 -0.567 1.00 0.00 H new ATOM 0 HD3 LYS A 568 -13.520 -13.599 -0.331 1.00 0.00 H new ATOM 0 HE2 LYS A 568 -13.141 -15.417 1.224 1.00 0.00 H new ATOM 0 HE3 LYS A 568 -14.857 -15.743 1.372 1.00 0.00 H new ATOM 0 HZ1 LYS A 568 -13.780 -17.348 -0.043 1.00 0.00 H new ATOM 0 HZ2 LYS A 568 -14.898 -16.438 -0.941 1.00 0.00 H new ATOM 0 HZ3 LYS A 568 -13.235 -16.122 -1.085 1.00 0.00 H new ATOM 967 N ILE A 569 -11.833 -11.248 0.731 1.00 0.00 N ATOM 968 CA ILE A 569 -10.499 -11.389 0.133 1.00 0.00 C ATOM 969 C ILE A 569 -10.547 -12.012 -1.263 1.00 0.00 C ATOM 970 O ILE A 569 -11.354 -12.900 -1.539 1.00 0.00 O ATOM 971 CB ILE A 569 -9.554 -12.166 1.084 1.00 0.00 C ATOM 972 CG1 ILE A 569 -9.500 -11.551 2.499 1.00 0.00 C ATOM 973 CG2 ILE A 569 -8.120 -12.260 0.527 1.00 0.00 C ATOM 974 CD1 ILE A 569 -9.078 -10.082 2.488 1.00 0.00 C ATOM 0 H ILE A 569 -11.821 -11.491 1.722 1.00 0.00 H new ATOM 0 HA ILE A 569 -10.092 -10.387 -0.000 1.00 0.00 H new ATOM 0 HB ILE A 569 -9.979 -13.168 1.154 1.00 0.00 H new ATOM 0 HG12 ILE A 569 -10.480 -11.640 2.967 1.00 0.00 H new ATOM 0 HG13 ILE A 569 -8.802 -12.121 3.112 1.00 0.00 H new ATOM 0 HG21 ILE A 569 -7.493 -12.813 1.227 1.00 0.00 H new ATOM 0 HG22 ILE A 569 -8.136 -12.777 -0.433 1.00 0.00 H new ATOM 0 HG23 ILE A 569 -7.716 -11.257 0.392 1.00 0.00 H new ATOM 0 HD11 ILE A 569 -9.057 -9.702 3.509 1.00 0.00 H new ATOM 0 HD12 ILE A 569 -8.085 -9.992 2.047 1.00 0.00 H new ATOM 0 HD13 ILE A 569 -9.790 -9.503 1.900 1.00 0.00 H new ATOM 986 N GLN A 570 -9.668 -11.519 -2.128 1.00 0.00 N ATOM 987 CA GLN A 570 -9.497 -11.865 -3.528 1.00 0.00 C ATOM 988 C GLN A 570 -7.982 -11.817 -3.770 1.00 0.00 C ATOM 989 O GLN A 570 -7.264 -11.298 -2.917 1.00 0.00 O ATOM 990 CB GLN A 570 -10.247 -10.855 -4.430 1.00 0.00 C ATOM 991 CG GLN A 570 -11.543 -10.234 -3.862 1.00 0.00 C ATOM 992 CD GLN A 570 -11.365 -8.901 -3.107 1.00 0.00 C ATOM 993 OE1 GLN A 570 -11.019 -8.830 -1.816 1.00 0.00 O flip ATOM 994 NE2 GLN A 570 -11.588 -7.856 -3.705 1.00 0.00 N flip ATOM 0 H GLN A 570 -9.000 -10.805 -1.839 1.00 0.00 H new ATOM 0 HA GLN A 570 -9.907 -12.847 -3.766 1.00 0.00 H new ATOM 0 HB2 GLN A 570 -9.561 -10.044 -4.673 1.00 0.00 H new ATOM 0 HB3 GLN A 570 -10.493 -11.355 -5.367 1.00 0.00 H new ATOM 0 HG2 GLN A 570 -12.240 -10.075 -4.685 1.00 0.00 H new ATOM 0 HG3 GLN A 570 -12.005 -10.955 -3.187 1.00 0.00 H new ATOM 0 HE21 GLN A 570 -11.854 -7.879 -4.690 1.00 0.00 H new ATOM 0 HE22 GLN A 570 -11.508 -6.963 -3.219 1.00 0.00 H new ATOM 1003 N GLU A 571 -7.466 -12.303 -4.891 1.00 0.00 N ATOM 1004 CA GLU A 571 -6.041 -12.280 -5.181 1.00 0.00 C ATOM 1005 C GLU A 571 -5.823 -11.829 -6.614 1.00 0.00 C ATOM 1006 O GLU A 571 -6.555 -12.247 -7.509 1.00 0.00 O ATOM 1007 CB GLU A 571 -5.548 -13.707 -4.999 1.00 0.00 C ATOM 1008 CG GLU A 571 -4.025 -13.912 -5.010 1.00 0.00 C ATOM 1009 CD GLU A 571 -3.620 -15.034 -5.974 1.00 0.00 C ATOM 1010 OE1 GLU A 571 -4.307 -16.083 -6.039 1.00 0.00 O ATOM 1011 OE2 GLU A 571 -2.609 -14.878 -6.695 1.00 0.00 O ATOM 0 H GLU A 571 -8.029 -12.727 -5.628 1.00 0.00 H new ATOM 0 HA GLU A 571 -5.505 -11.592 -4.527 1.00 0.00 H new ATOM 0 HB2 GLU A 571 -5.936 -14.084 -4.053 1.00 0.00 H new ATOM 0 HB3 GLU A 571 -5.981 -14.321 -5.789 1.00 0.00 H new ATOM 0 HG2 GLU A 571 -3.533 -12.984 -5.302 1.00 0.00 H new ATOM 0 HG3 GLU A 571 -3.681 -14.152 -4.004 1.00 0.00 H new ATOM 1018 N GLY A 572 -4.751 -11.070 -6.815 1.00 0.00 N ATOM 1019 CA GLY A 572 -4.487 -10.324 -8.037 1.00 0.00 C ATOM 1020 C GLY A 572 -5.583 -9.290 -8.268 1.00 0.00 C ATOM 1021 O GLY A 572 -6.692 -9.645 -8.650 1.00 0.00 O ATOM 0 H GLY A 572 -4.022 -10.955 -6.111 1.00 0.00 H new ATOM 0 HA2 GLY A 572 -3.518 -9.829 -7.968 1.00 0.00 H new ATOM 0 HA3 GLY A 572 -4.436 -11.007 -8.885 1.00 0.00 H new ATOM 1025 N ILE A 573 -5.227 -8.015 -8.103 1.00 0.00 N ATOM 1026 CA ILE A 573 -6.027 -6.851 -8.408 1.00 0.00 C ATOM 1027 C ILE A 573 -7.389 -6.850 -7.685 1.00 0.00 C ATOM 1028 O ILE A 573 -8.343 -7.529 -8.060 1.00 0.00 O ATOM 1029 CB ILE A 573 -6.010 -6.667 -9.940 1.00 0.00 C ATOM 1030 CG1 ILE A 573 -4.597 -6.191 -10.362 1.00 0.00 C ATOM 1031 CG2 ILE A 573 -7.103 -5.695 -10.342 1.00 0.00 C ATOM 1032 CD1 ILE A 573 -4.353 -6.161 -11.870 1.00 0.00 C ATOM 0 H ILE A 573 -4.312 -7.763 -7.728 1.00 0.00 H new ATOM 0 HA ILE A 573 -5.603 -5.938 -7.991 1.00 0.00 H new ATOM 0 HB ILE A 573 -6.214 -7.605 -10.456 1.00 0.00 H new ATOM 0 HG12 ILE A 573 -4.432 -5.191 -9.962 1.00 0.00 H new ATOM 0 HG13 ILE A 573 -3.856 -6.845 -9.902 1.00 0.00 H new ATOM 0 HG21 ILE A 573 -7.093 -5.563 -11.424 1.00 0.00 H new ATOM 0 HG22 ILE A 573 -8.071 -6.089 -10.033 1.00 0.00 H new ATOM 0 HG23 ILE A 573 -6.931 -4.734 -9.858 1.00 0.00 H new ATOM 0 HD11 ILE A 573 -3.338 -5.815 -12.068 1.00 0.00 H new ATOM 0 HD12 ILE A 573 -4.481 -7.163 -12.279 1.00 0.00 H new ATOM 0 HD13 ILE A 573 -5.065 -5.483 -12.340 1.00 0.00 H new ATOM 1044 N VAL A 574 -7.480 -6.036 -6.633 1.00 0.00 N ATOM 1045 CA VAL A 574 -8.606 -5.995 -5.713 1.00 0.00 C ATOM 1046 C VAL A 574 -9.254 -4.612 -5.836 1.00 0.00 C ATOM 1047 O VAL A 574 -8.759 -3.628 -5.292 1.00 0.00 O ATOM 1048 CB VAL A 574 -8.096 -6.391 -4.307 1.00 0.00 C ATOM 1049 CG1 VAL A 574 -8.972 -5.893 -3.154 1.00 0.00 C ATOM 1050 CG2 VAL A 574 -7.891 -7.913 -4.192 1.00 0.00 C ATOM 0 H VAL A 574 -6.747 -5.368 -6.394 1.00 0.00 H new ATOM 0 HA VAL A 574 -9.395 -6.712 -5.940 1.00 0.00 H new ATOM 0 HB VAL A 574 -7.137 -5.883 -4.206 1.00 0.00 H new ATOM 0 HG11 VAL A 574 -8.542 -6.215 -2.205 1.00 0.00 H new ATOM 0 HG12 VAL A 574 -9.022 -4.804 -3.179 1.00 0.00 H new ATOM 0 HG13 VAL A 574 -9.976 -6.305 -3.256 1.00 0.00 H new ATOM 0 HG21 VAL A 574 -7.532 -8.157 -3.192 1.00 0.00 H new ATOM 0 HG22 VAL A 574 -8.838 -8.422 -4.372 1.00 0.00 H new ATOM 0 HG23 VAL A 574 -7.158 -8.238 -4.930 1.00 0.00 H new ATOM 1060 N ASP A 575 -10.353 -4.529 -6.576 1.00 0.00 N ATOM 1061 CA ASP A 575 -10.971 -3.309 -7.084 1.00 0.00 C ATOM 1062 C ASP A 575 -12.322 -3.103 -6.402 1.00 0.00 C ATOM 1063 O ASP A 575 -13.359 -3.570 -6.883 1.00 0.00 O ATOM 1064 CB ASP A 575 -11.095 -3.438 -8.603 1.00 0.00 C ATOM 1065 CG ASP A 575 -11.959 -2.349 -9.234 1.00 0.00 C ATOM 1066 OD1 ASP A 575 -11.487 -1.193 -9.353 1.00 0.00 O ATOM 1067 OD2 ASP A 575 -13.038 -2.670 -9.778 1.00 0.00 O ATOM 0 H ASP A 575 -10.869 -5.363 -6.855 1.00 0.00 H new ATOM 0 HA ASP A 575 -10.365 -2.431 -6.862 1.00 0.00 H new ATOM 0 HB2 ASP A 575 -10.100 -3.404 -9.046 1.00 0.00 H new ATOM 0 HB3 ASP A 575 -11.518 -4.413 -8.844 1.00 0.00 H new ATOM 1072 N TYR A 576 -12.302 -2.473 -5.222 1.00 0.00 N ATOM 1073 CA TYR A 576 -13.481 -2.389 -4.357 1.00 0.00 C ATOM 1074 C TYR A 576 -13.354 -1.181 -3.423 1.00 0.00 C ATOM 1075 O TYR A 576 -13.004 -1.294 -2.249 1.00 0.00 O ATOM 1076 CB TYR A 576 -13.665 -3.721 -3.598 1.00 0.00 C ATOM 1077 CG TYR A 576 -15.055 -4.053 -3.078 1.00 0.00 C ATOM 1078 CD1 TYR A 576 -15.649 -3.311 -2.035 1.00 0.00 C ATOM 1079 CD2 TYR A 576 -15.647 -5.262 -3.482 1.00 0.00 C ATOM 1080 CE1 TYR A 576 -16.803 -3.788 -1.388 1.00 0.00 C ATOM 1081 CE2 TYR A 576 -16.796 -5.748 -2.841 1.00 0.00 C ATOM 1082 CZ TYR A 576 -17.361 -5.027 -1.772 1.00 0.00 C ATOM 1083 OH TYR A 576 -18.442 -5.544 -1.127 1.00 0.00 O ATOM 0 H TYR A 576 -11.475 -2.011 -4.843 1.00 0.00 H new ATOM 0 HA TYR A 576 -14.380 -2.235 -4.954 1.00 0.00 H new ATOM 0 HB2 TYR A 576 -13.352 -4.529 -4.259 1.00 0.00 H new ATOM 0 HB3 TYR A 576 -12.981 -3.721 -2.749 1.00 0.00 H new ATOM 0 HD1 TYR A 576 -15.214 -2.370 -1.731 1.00 0.00 H new ATOM 0 HD2 TYR A 576 -15.212 -5.823 -4.296 1.00 0.00 H new ATOM 0 HE1 TYR A 576 -17.261 -3.209 -0.600 1.00 0.00 H new ATOM 0 HE2 TYR A 576 -17.247 -6.674 -3.167 1.00 0.00 H new ATOM 0 HH TYR A 576 -18.685 -6.403 -1.532 1.00 0.00 H new ATOM 1093 N GLY A 577 -13.633 0.021 -3.923 1.00 0.00 N ATOM 1094 CA GLY A 577 -13.631 1.242 -3.123 1.00 0.00 C ATOM 1095 C GLY A 577 -12.249 1.885 -3.076 1.00 0.00 C ATOM 1096 O GLY A 577 -12.147 3.097 -3.279 1.00 0.00 O ATOM 0 H GLY A 577 -13.869 0.175 -4.903 1.00 0.00 H new ATOM 0 HA2 GLY A 577 -14.348 1.950 -3.539 1.00 0.00 H new ATOM 0 HA3 GLY A 577 -13.960 1.013 -2.109 1.00 0.00 H new ATOM 1100 N VAL A 578 -11.198 1.090 -2.884 1.00 0.00 N ATOM 1101 CA VAL A 578 -9.817 1.457 -3.173 1.00 0.00 C ATOM 1102 C VAL A 578 -9.257 0.379 -4.097 1.00 0.00 C ATOM 1103 O VAL A 578 -9.649 -0.792 -4.034 1.00 0.00 O ATOM 1104 CB VAL A 578 -9.011 1.655 -1.866 1.00 0.00 C ATOM 1105 CG1 VAL A 578 -7.485 1.652 -2.051 1.00 0.00 C ATOM 1106 CG2 VAL A 578 -9.372 2.997 -1.229 1.00 0.00 C ATOM 0 H VAL A 578 -11.289 0.145 -2.512 1.00 0.00 H new ATOM 0 HA VAL A 578 -9.748 2.420 -3.680 1.00 0.00 H new ATOM 0 HB VAL A 578 -9.280 0.803 -1.242 1.00 0.00 H new ATOM 0 HG11 VAL A 578 -7.001 1.797 -1.085 1.00 0.00 H new ATOM 0 HG12 VAL A 578 -7.172 0.698 -2.475 1.00 0.00 H new ATOM 0 HG13 VAL A 578 -7.199 2.460 -2.725 1.00 0.00 H new ATOM 0 HG21 VAL A 578 -8.801 3.129 -0.310 1.00 0.00 H new ATOM 0 HG22 VAL A 578 -9.135 3.804 -1.922 1.00 0.00 H new ATOM 0 HG23 VAL A 578 -10.437 3.016 -1.000 1.00 0.00 H new ATOM 1116 N ARG A 579 -8.341 0.806 -4.964 1.00 0.00 N ATOM 1117 CA ARG A 579 -7.686 -0.003 -5.969 1.00 0.00 C ATOM 1118 C ARG A 579 -6.491 -0.679 -5.308 1.00 0.00 C ATOM 1119 O ARG A 579 -5.426 -0.063 -5.235 1.00 0.00 O ATOM 1120 CB ARG A 579 -7.285 0.934 -7.126 1.00 0.00 C ATOM 1121 CG ARG A 579 -7.049 0.172 -8.424 1.00 0.00 C ATOM 1122 CD ARG A 579 -6.575 1.136 -9.513 1.00 0.00 C ATOM 1123 NE ARG A 579 -6.463 0.458 -10.808 1.00 0.00 N ATOM 1124 CZ ARG A 579 -7.441 0.289 -11.703 1.00 0.00 C ATOM 1125 NH1 ARG A 579 -8.658 0.793 -11.495 1.00 0.00 N ATOM 1126 NH2 ARG A 579 -7.195 -0.385 -12.822 1.00 0.00 N ATOM 0 H ARG A 579 -8.025 1.776 -4.979 1.00 0.00 H new ATOM 0 HA ARG A 579 -8.326 -0.785 -6.378 1.00 0.00 H new ATOM 0 HB2 ARG A 579 -8.068 1.676 -7.279 1.00 0.00 H new ATOM 0 HB3 ARG A 579 -6.380 1.477 -6.855 1.00 0.00 H new ATOM 0 HG2 ARG A 579 -6.305 -0.609 -8.268 1.00 0.00 H new ATOM 0 HG3 ARG A 579 -7.968 -0.322 -8.738 1.00 0.00 H new ATOM 0 HD2 ARG A 579 -7.274 1.969 -9.595 1.00 0.00 H new ATOM 0 HD3 ARG A 579 -5.609 1.557 -9.235 1.00 0.00 H new ATOM 0 HE ARG A 579 -5.548 0.078 -11.050 1.00 0.00 H new ATOM 0 HH11 ARG A 579 -8.854 1.317 -10.642 1.00 0.00 H new ATOM 0 HH12 ARG A 579 -9.393 0.655 -12.189 1.00 0.00 H new ATOM 0 HH21 ARG A 579 -6.265 -0.769 -12.992 1.00 0.00 H new ATOM 0 HH22 ARG A 579 -7.936 -0.519 -13.510 1.00 0.00 H new ATOM 1140 N PHE A 580 -6.640 -1.895 -4.781 1.00 0.00 N ATOM 1141 CA PHE A 580 -5.515 -2.599 -4.162 1.00 0.00 C ATOM 1142 C PHE A 580 -4.905 -3.653 -5.099 1.00 0.00 C ATOM 1143 O PHE A 580 -5.437 -3.945 -6.174 1.00 0.00 O ATOM 1144 CB PHE A 580 -5.891 -3.225 -2.811 1.00 0.00 C ATOM 1145 CG PHE A 580 -6.451 -2.304 -1.742 1.00 0.00 C ATOM 1146 CD1 PHE A 580 -5.626 -1.631 -0.825 1.00 0.00 C ATOM 1147 CD2 PHE A 580 -7.837 -2.210 -1.599 1.00 0.00 C ATOM 1148 CE1 PHE A 580 -6.182 -0.943 0.266 1.00 0.00 C ATOM 1149 CE2 PHE A 580 -8.410 -1.518 -0.523 1.00 0.00 C ATOM 1150 CZ PHE A 580 -7.578 -0.894 0.419 1.00 0.00 C ATOM 0 H PHE A 580 -7.520 -2.410 -4.770 1.00 0.00 H new ATOM 0 HA PHE A 580 -4.754 -1.842 -3.973 1.00 0.00 H new ATOM 0 HB2 PHE A 580 -6.625 -4.010 -2.997 1.00 0.00 H new ATOM 0 HB3 PHE A 580 -5.002 -3.709 -2.406 1.00 0.00 H new ATOM 0 HD1 PHE A 580 -4.555 -1.643 -0.960 1.00 0.00 H new ATOM 0 HD2 PHE A 580 -8.479 -2.679 -2.330 1.00 0.00 H new ATOM 0 HE1 PHE A 580 -5.540 -0.454 0.984 1.00 0.00 H new ATOM 0 HE2 PHE A 580 -9.484 -1.466 -0.420 1.00 0.00 H new ATOM 0 HZ PHE A 580 -8.011 -0.376 1.262 1.00 0.00 H new ATOM 1160 N PHE A 581 -3.797 -4.262 -4.669 1.00 0.00 N ATOM 1161 CA PHE A 581 -3.150 -5.418 -5.283 1.00 0.00 C ATOM 1162 C PHE A 581 -2.762 -6.382 -4.162 1.00 0.00 C ATOM 1163 O PHE A 581 -1.887 -6.054 -3.359 1.00 0.00 O ATOM 1164 CB PHE A 581 -1.936 -4.968 -6.114 1.00 0.00 C ATOM 1165 CG PHE A 581 -0.993 -6.076 -6.550 1.00 0.00 C ATOM 1166 CD1 PHE A 581 -1.320 -6.891 -7.649 1.00 0.00 C ATOM 1167 CD2 PHE A 581 0.240 -6.258 -5.893 1.00 0.00 C ATOM 1168 CE1 PHE A 581 -0.437 -7.905 -8.060 1.00 0.00 C ATOM 1169 CE2 PHE A 581 1.136 -7.259 -6.315 1.00 0.00 C ATOM 1170 CZ PHE A 581 0.782 -8.103 -7.383 1.00 0.00 C ATOM 0 H PHE A 581 -3.302 -3.942 -3.837 1.00 0.00 H new ATOM 0 HA PHE A 581 -3.824 -5.927 -5.972 1.00 0.00 H new ATOM 0 HB2 PHE A 581 -2.298 -4.452 -7.003 1.00 0.00 H new ATOM 0 HB3 PHE A 581 -1.369 -4.241 -5.532 1.00 0.00 H new ATOM 0 HD1 PHE A 581 -2.250 -6.738 -8.177 1.00 0.00 H new ATOM 0 HD2 PHE A 581 0.500 -5.624 -5.058 1.00 0.00 H new ATOM 0 HE1 PHE A 581 -0.695 -8.535 -8.899 1.00 0.00 H new ATOM 0 HE2 PHE A 581 2.089 -7.378 -5.822 1.00 0.00 H new ATOM 0 HZ PHE A 581 1.444 -8.902 -7.683 1.00 0.00 H new ATOM 1180 N PHE A 582 -3.447 -7.526 -4.072 1.00 0.00 N ATOM 1181 CA PHE A 582 -3.145 -8.594 -3.122 1.00 0.00 C ATOM 1182 C PHE A 582 -2.424 -9.736 -3.838 1.00 0.00 C ATOM 1183 O PHE A 582 -2.676 -10.010 -5.018 1.00 0.00 O ATOM 1184 CB PHE A 582 -4.428 -9.145 -2.481 1.00 0.00 C ATOM 1185 CG PHE A 582 -5.284 -8.217 -1.630 1.00 0.00 C ATOM 1186 CD1 PHE A 582 -4.917 -6.889 -1.344 1.00 0.00 C ATOM 1187 CD2 PHE A 582 -6.512 -8.700 -1.149 1.00 0.00 C ATOM 1188 CE1 PHE A 582 -5.774 -6.065 -0.590 1.00 0.00 C ATOM 1189 CE2 PHE A 582 -7.387 -7.870 -0.440 1.00 0.00 C ATOM 1190 CZ PHE A 582 -6.999 -6.562 -0.120 1.00 0.00 C ATOM 0 H PHE A 582 -4.244 -7.737 -4.672 1.00 0.00 H new ATOM 0 HA PHE A 582 -2.510 -8.177 -2.341 1.00 0.00 H new ATOM 0 HB2 PHE A 582 -5.058 -9.530 -3.283 1.00 0.00 H new ATOM 0 HB3 PHE A 582 -4.147 -9.995 -1.860 1.00 0.00 H new ATOM 0 HD1 PHE A 582 -3.976 -6.501 -1.704 1.00 0.00 H new ATOM 0 HD2 PHE A 582 -6.785 -9.729 -1.329 1.00 0.00 H new ATOM 0 HE1 PHE A 582 -5.487 -5.047 -0.373 1.00 0.00 H new ATOM 0 HE2 PHE A 582 -8.358 -8.236 -0.140 1.00 0.00 H new ATOM 0 HZ PHE A 582 -7.640 -5.939 0.486 1.00 0.00 H new ATOM 1200 N TYR A 583 -1.578 -10.436 -3.088 1.00 0.00 N ATOM 1201 CA TYR A 583 -0.672 -11.484 -3.548 1.00 0.00 C ATOM 1202 C TYR A 583 -0.344 -12.409 -2.369 1.00 0.00 C ATOM 1203 O TYR A 583 -0.507 -12.022 -1.208 1.00 0.00 O ATOM 1204 CB TYR A 583 0.610 -10.828 -4.096 1.00 0.00 C ATOM 1205 CG TYR A 583 1.270 -9.863 -3.125 1.00 0.00 C ATOM 1206 CD1 TYR A 583 0.810 -8.534 -3.030 1.00 0.00 C ATOM 1207 CD2 TYR A 583 2.306 -10.306 -2.281 1.00 0.00 C ATOM 1208 CE1 TYR A 583 1.360 -7.663 -2.078 1.00 0.00 C ATOM 1209 CE2 TYR A 583 2.883 -9.427 -1.349 1.00 0.00 C ATOM 1210 CZ TYR A 583 2.410 -8.101 -1.247 1.00 0.00 C ATOM 1211 OH TYR A 583 2.953 -7.227 -0.365 1.00 0.00 O ATOM 0 H TYR A 583 -1.502 -10.278 -2.083 1.00 0.00 H new ATOM 0 HA TYR A 583 -1.135 -12.072 -4.340 1.00 0.00 H new ATOM 0 HB2 TYR A 583 1.323 -11.610 -4.358 1.00 0.00 H new ATOM 0 HB3 TYR A 583 0.369 -10.295 -5.016 1.00 0.00 H new ATOM 0 HD1 TYR A 583 0.032 -8.185 -3.692 1.00 0.00 H new ATOM 0 HD2 TYR A 583 2.658 -11.325 -2.350 1.00 0.00 H new ATOM 0 HE1 TYR A 583 0.979 -6.657 -1.982 1.00 0.00 H new ATOM 0 HE2 TYR A 583 3.687 -9.765 -0.712 1.00 0.00 H new ATOM 0 HH TYR A 583 3.666 -7.672 0.140 1.00 0.00 H new ATOM 1221 N THR A 584 0.113 -13.628 -2.651 1.00 0.00 N ATOM 1222 CA THR A 584 0.541 -14.589 -1.641 1.00 0.00 C ATOM 1223 C THR A 584 1.869 -14.159 -1.017 1.00 0.00 C ATOM 1224 O THR A 584 2.767 -13.749 -1.749 1.00 0.00 O ATOM 1225 CB THR A 584 0.619 -15.983 -2.287 1.00 0.00 C ATOM 1226 OG1 THR A 584 1.206 -15.915 -3.574 1.00 0.00 O ATOM 1227 CG2 THR A 584 -0.773 -16.596 -2.462 1.00 0.00 C ATOM 0 H THR A 584 0.197 -13.980 -3.605 1.00 0.00 H new ATOM 0 HA THR A 584 -0.182 -14.628 -0.827 1.00 0.00 H new ATOM 0 HB THR A 584 1.223 -16.597 -1.619 1.00 0.00 H new ATOM 0 HG1 THR A 584 1.917 -15.240 -3.574 1.00 0.00 H new ATOM 0 HG21 THR A 584 -0.682 -17.580 -2.921 1.00 0.00 H new ATOM 0 HG22 THR A 584 -1.253 -16.693 -1.488 1.00 0.00 H new ATOM 0 HG23 THR A 584 -1.376 -15.952 -3.102 1.00 0.00 H new ATOM 1235 N SER A 585 2.032 -14.314 0.303 1.00 0.00 N ATOM 1236 CA SER A 585 3.288 -14.021 0.989 1.00 0.00 C ATOM 1237 C SER A 585 4.429 -14.895 0.474 1.00 0.00 C ATOM 1238 O SER A 585 5.589 -14.489 0.563 1.00 0.00 O ATOM 1239 CB SER A 585 3.134 -14.211 2.502 1.00 0.00 C ATOM 1240 OG SER A 585 3.650 -13.088 3.192 1.00 0.00 O ATOM 0 H SER A 585 1.293 -14.647 0.923 1.00 0.00 H new ATOM 0 HA SER A 585 3.535 -12.980 0.780 1.00 0.00 H new ATOM 0 HB2 SER A 585 2.082 -14.349 2.753 1.00 0.00 H new ATOM 0 HB3 SER A 585 3.658 -15.113 2.818 1.00 0.00 H new ATOM 0 HG SER A 585 3.196 -12.277 2.882 1.00 0.00 H new ATOM 1246 N LYS A 586 4.118 -16.064 -0.093 1.00 0.00 N ATOM 1247 CA LYS A 586 5.112 -16.907 -0.731 1.00 0.00 C ATOM 1248 C LYS A 586 5.805 -16.165 -1.869 1.00 0.00 C ATOM 1249 O LYS A 586 6.979 -16.440 -2.092 1.00 0.00 O ATOM 1250 CB LYS A 586 4.495 -18.256 -1.150 1.00 0.00 C ATOM 1251 CG LYS A 586 3.696 -18.238 -2.462 1.00 0.00 C ATOM 1252 CD LYS A 586 2.731 -19.433 -2.560 1.00 0.00 C ATOM 1253 CE LYS A 586 2.128 -19.532 -3.967 1.00 0.00 C ATOM 1254 NZ LYS A 586 1.120 -20.611 -4.090 1.00 0.00 N ATOM 0 H LYS A 586 3.172 -16.444 -0.119 1.00 0.00 H new ATOM 0 HA LYS A 586 5.896 -17.146 -0.012 1.00 0.00 H new ATOM 0 HB2 LYS A 586 5.296 -18.989 -1.243 1.00 0.00 H new ATOM 0 HB3 LYS A 586 3.839 -18.600 -0.350 1.00 0.00 H new ATOM 0 HG2 LYS A 586 3.131 -17.308 -2.531 1.00 0.00 H new ATOM 0 HG3 LYS A 586 4.384 -18.256 -3.307 1.00 0.00 H new ATOM 0 HD2 LYS A 586 3.261 -20.355 -2.321 1.00 0.00 H new ATOM 0 HD3 LYS A 586 1.934 -19.324 -1.825 1.00 0.00 H new ATOM 0 HE2 LYS A 586 1.666 -18.579 -4.226 1.00 0.00 H new ATOM 0 HE3 LYS A 586 2.927 -19.705 -4.688 1.00 0.00 H new ATOM 0 HZ1 LYS A 586 0.748 -20.630 -5.061 1.00 0.00 H new ATOM 0 HZ2 LYS A 586 1.563 -21.526 -3.871 1.00 0.00 H new ATOM 0 HZ3 LYS A 586 0.341 -20.435 -3.424 1.00 0.00 H new ATOM 1268 N GLU A 587 5.123 -15.242 -2.563 1.00 0.00 N ATOM 1269 CA GLU A 587 5.735 -14.504 -3.667 1.00 0.00 C ATOM 1270 C GLU A 587 6.704 -13.457 -3.099 1.00 0.00 C ATOM 1271 O GLU A 587 6.244 -12.535 -2.416 1.00 0.00 O ATOM 1272 CB GLU A 587 4.667 -13.858 -4.564 1.00 0.00 C ATOM 1273 CG GLU A 587 5.300 -13.371 -5.884 1.00 0.00 C ATOM 1274 CD GLU A 587 4.448 -13.753 -7.105 1.00 0.00 C ATOM 1275 OE1 GLU A 587 4.189 -14.963 -7.322 1.00 0.00 O ATOM 1276 OE2 GLU A 587 4.002 -12.873 -7.874 1.00 0.00 O ATOM 0 H GLU A 587 4.152 -14.993 -2.377 1.00 0.00 H new ATOM 0 HA GLU A 587 6.295 -15.197 -4.295 1.00 0.00 H new ATOM 0 HB2 GLU A 587 3.876 -14.578 -4.776 1.00 0.00 H new ATOM 0 HB3 GLU A 587 4.204 -13.020 -4.044 1.00 0.00 H new ATOM 0 HG2 GLU A 587 5.421 -12.288 -5.851 1.00 0.00 H new ATOM 0 HG3 GLU A 587 6.297 -13.800 -5.988 1.00 0.00 H new ATOM 1283 N PRO A 588 8.032 -13.588 -3.290 1.00 0.00 N ATOM 1284 CA PRO A 588 9.012 -12.679 -2.703 1.00 0.00 C ATOM 1285 C PRO A 588 8.811 -11.227 -3.079 1.00 0.00 C ATOM 1286 O PRO A 588 8.177 -10.873 -4.072 1.00 0.00 O ATOM 1287 CB PRO A 588 10.377 -13.111 -3.216 1.00 0.00 C ATOM 1288 CG PRO A 588 10.179 -14.561 -3.607 1.00 0.00 C ATOM 1289 CD PRO A 588 8.719 -14.627 -4.045 1.00 0.00 C ATOM 0 HA PRO A 588 8.910 -12.737 -1.619 1.00 0.00 H new ATOM 0 HB2 PRO A 588 10.693 -12.508 -4.067 1.00 0.00 H new ATOM 0 HB3 PRO A 588 11.144 -13.006 -2.448 1.00 0.00 H new ATOM 0 HG2 PRO A 588 10.852 -14.853 -4.414 1.00 0.00 H new ATOM 0 HG3 PRO A 588 10.376 -15.231 -2.770 1.00 0.00 H new ATOM 0 HD2 PRO A 588 8.624 -14.458 -5.118 1.00 0.00 H new ATOM 0 HD3 PRO A 588 8.292 -15.608 -3.838 1.00 0.00 H new ATOM 1297 N VAL A 589 9.481 -10.392 -2.306 1.00 0.00 N ATOM 1298 CA VAL A 589 9.387 -8.949 -2.433 1.00 0.00 C ATOM 1299 C VAL A 589 10.075 -8.513 -3.736 1.00 0.00 C ATOM 1300 O VAL A 589 9.619 -7.593 -4.414 1.00 0.00 O ATOM 1301 CB VAL A 589 10.072 -8.284 -1.211 1.00 0.00 C ATOM 1302 CG1 VAL A 589 9.737 -6.790 -1.107 1.00 0.00 C ATOM 1303 CG2 VAL A 589 9.761 -8.933 0.148 1.00 0.00 C ATOM 0 H VAL A 589 10.112 -10.699 -1.565 1.00 0.00 H new ATOM 0 HA VAL A 589 8.342 -8.641 -2.463 1.00 0.00 H new ATOM 0 HB VAL A 589 11.133 -8.435 -1.412 1.00 0.00 H new ATOM 0 HG11 VAL A 589 10.238 -6.365 -0.237 1.00 0.00 H new ATOM 0 HG12 VAL A 589 10.076 -6.278 -2.007 1.00 0.00 H new ATOM 0 HG13 VAL A 589 8.659 -6.665 -1.002 1.00 0.00 H new ATOM 0 HG21 VAL A 589 10.287 -8.395 0.937 1.00 0.00 H new ATOM 0 HG22 VAL A 589 8.688 -8.892 0.334 1.00 0.00 H new ATOM 0 HG23 VAL A 589 10.088 -9.973 0.138 1.00 0.00 H new ATOM 1313 N ALA A 590 11.147 -9.200 -4.139 1.00 0.00 N ATOM 1314 CA ALA A 590 11.795 -8.910 -5.408 1.00 0.00 C ATOM 1315 C ALA A 590 10.905 -9.323 -6.593 1.00 0.00 C ATOM 1316 O ALA A 590 10.911 -8.654 -7.630 1.00 0.00 O ATOM 1317 CB ALA A 590 13.152 -9.607 -5.437 1.00 0.00 C ATOM 0 H ALA A 590 11.578 -9.955 -3.605 1.00 0.00 H new ATOM 0 HA ALA A 590 11.952 -7.836 -5.505 1.00 0.00 H new ATOM 0 HB1 ALA A 590 13.649 -9.397 -6.384 1.00 0.00 H new ATOM 0 HB2 ALA A 590 13.767 -9.240 -4.616 1.00 0.00 H new ATOM 0 HB3 ALA A 590 13.011 -10.683 -5.332 1.00 0.00 H new ATOM 1323 N SER A 591 10.130 -10.402 -6.452 1.00 0.00 N ATOM 1324 CA SER A 591 9.239 -10.932 -7.460 1.00 0.00 C ATOM 1325 C SER A 591 8.023 -10.030 -7.665 1.00 0.00 C ATOM 1326 O SER A 591 7.726 -9.668 -8.800 1.00 0.00 O ATOM 1327 CB SER A 591 8.838 -12.331 -7.005 1.00 0.00 C ATOM 1328 OG SER A 591 9.978 -13.152 -6.802 1.00 0.00 O ATOM 0 H SER A 591 10.114 -10.946 -5.590 1.00 0.00 H new ATOM 0 HA SER A 591 9.737 -10.976 -8.429 1.00 0.00 H new ATOM 0 HB2 SER A 591 8.265 -12.265 -6.080 1.00 0.00 H new ATOM 0 HB3 SER A 591 8.187 -12.786 -7.751 1.00 0.00 H new ATOM 0 HG SER A 591 9.744 -14.087 -6.982 1.00 0.00 H new ATOM 1334 N ILE A 592 7.329 -9.626 -6.594 1.00 0.00 N ATOM 1335 CA ILE A 592 6.219 -8.687 -6.720 1.00 0.00 C ATOM 1336 C ILE A 592 6.720 -7.367 -7.322 1.00 0.00 C ATOM 1337 O ILE A 592 6.037 -6.804 -8.172 1.00 0.00 O ATOM 1338 CB ILE A 592 5.467 -8.499 -5.384 1.00 0.00 C ATOM 1339 CG1 ILE A 592 6.327 -7.870 -4.283 1.00 0.00 C ATOM 1340 CG2 ILE A 592 4.970 -9.824 -4.799 1.00 0.00 C ATOM 1341 CD1 ILE A 592 6.144 -6.360 -4.166 1.00 0.00 C ATOM 0 H ILE A 592 7.518 -9.934 -5.640 1.00 0.00 H new ATOM 0 HA ILE A 592 5.482 -9.103 -7.407 1.00 0.00 H new ATOM 0 HB ILE A 592 4.641 -7.841 -5.653 1.00 0.00 H new ATOM 0 HG12 ILE A 592 6.080 -8.334 -3.328 1.00 0.00 H new ATOM 0 HG13 ILE A 592 7.376 -8.088 -4.482 1.00 0.00 H new ATOM 0 HG21 ILE A 592 4.449 -9.635 -3.861 1.00 0.00 H new ATOM 0 HG22 ILE A 592 4.288 -10.300 -5.504 1.00 0.00 H new ATOM 0 HG23 ILE A 592 5.819 -10.482 -4.616 1.00 0.00 H new ATOM 0 HD11 ILE A 592 6.781 -5.977 -3.368 1.00 0.00 H new ATOM 0 HD12 ILE A 592 6.418 -5.886 -5.109 1.00 0.00 H new ATOM 0 HD13 ILE A 592 5.102 -6.136 -3.937 1.00 0.00 H new ATOM 1353 N ILE A 593 7.920 -6.894 -6.955 1.00 0.00 N ATOM 1354 CA ILE A 593 8.502 -5.702 -7.571 1.00 0.00 C ATOM 1355 C ILE A 593 8.624 -5.899 -9.083 1.00 0.00 C ATOM 1356 O ILE A 593 8.131 -5.049 -9.821 1.00 0.00 O ATOM 1357 CB ILE A 593 9.814 -5.299 -6.860 1.00 0.00 C ATOM 1358 CG1 ILE A 593 9.405 -4.497 -5.603 1.00 0.00 C ATOM 1359 CG2 ILE A 593 10.763 -4.500 -7.770 1.00 0.00 C ATOM 1360 CD1 ILE A 593 10.571 -4.101 -4.698 1.00 0.00 C ATOM 0 H ILE A 593 8.503 -7.321 -6.235 1.00 0.00 H new ATOM 0 HA ILE A 593 7.838 -4.848 -7.437 1.00 0.00 H new ATOM 0 HB ILE A 593 10.382 -6.188 -6.587 1.00 0.00 H new ATOM 0 HG12 ILE A 593 8.883 -3.594 -5.918 1.00 0.00 H new ATOM 0 HG13 ILE A 593 8.697 -5.089 -5.024 1.00 0.00 H new ATOM 0 HG21 ILE A 593 11.667 -4.244 -7.218 1.00 0.00 H new ATOM 0 HG22 ILE A 593 11.027 -5.103 -8.639 1.00 0.00 H new ATOM 0 HG23 ILE A 593 10.268 -3.586 -8.099 1.00 0.00 H new ATOM 0 HD11 ILE A 593 10.193 -3.542 -3.842 1.00 0.00 H new ATOM 0 HD12 ILE A 593 11.082 -4.998 -4.349 1.00 0.00 H new ATOM 0 HD13 ILE A 593 11.271 -3.479 -5.257 1.00 0.00 H new ATOM 1372 N THR A 594 9.194 -7.022 -9.537 1.00 0.00 N ATOM 1373 CA THR A 594 9.325 -7.400 -10.947 1.00 0.00 C ATOM 1374 C THR A 594 8.009 -7.197 -11.728 1.00 0.00 C ATOM 1375 O THR A 594 8.039 -6.892 -12.920 1.00 0.00 O ATOM 1376 CB THR A 594 9.889 -8.843 -11.010 1.00 0.00 C ATOM 1377 OG1 THR A 594 11.221 -8.865 -11.503 1.00 0.00 O ATOM 1378 CG2 THR A 594 9.053 -9.857 -11.794 1.00 0.00 C ATOM 0 H THR A 594 9.592 -7.718 -8.907 1.00 0.00 H new ATOM 0 HA THR A 594 10.030 -6.740 -11.453 1.00 0.00 H new ATOM 0 HB THR A 594 9.854 -9.164 -9.969 1.00 0.00 H new ATOM 0 HG1 THR A 594 11.545 -9.789 -11.528 1.00 0.00 H new ATOM 0 HG21 THR A 594 9.544 -10.830 -11.770 1.00 0.00 H new ATOM 0 HG22 THR A 594 8.064 -9.939 -11.344 1.00 0.00 H new ATOM 0 HG23 THR A 594 8.955 -9.526 -12.828 1.00 0.00 H new ATOM 1386 N LYS A 595 6.865 -7.338 -11.062 1.00 0.00 N ATOM 1387 CA LYS A 595 5.533 -7.188 -11.633 1.00 0.00 C ATOM 1388 C LYS A 595 5.026 -5.761 -11.515 1.00 0.00 C ATOM 1389 O LYS A 595 4.531 -5.237 -12.508 1.00 0.00 O ATOM 1390 CB LYS A 595 4.554 -8.120 -10.927 1.00 0.00 C ATOM 1391 CG LYS A 595 4.542 -9.507 -11.553 1.00 0.00 C ATOM 1392 CD LYS A 595 3.400 -10.315 -10.938 1.00 0.00 C ATOM 1393 CE LYS A 595 3.019 -11.441 -11.889 1.00 0.00 C ATOM 1394 NZ LYS A 595 1.871 -12.191 -11.358 1.00 0.00 N ATOM 0 H LYS A 595 6.842 -7.569 -10.069 1.00 0.00 H new ATOM 0 HA LYS A 595 5.603 -7.443 -12.690 1.00 0.00 H new ATOM 0 HB2 LYS A 595 4.823 -8.199 -9.874 1.00 0.00 H new ATOM 0 HB3 LYS A 595 3.552 -7.694 -10.969 1.00 0.00 H new ATOM 0 HG2 LYS A 595 4.413 -9.433 -12.633 1.00 0.00 H new ATOM 0 HG3 LYS A 595 5.495 -10.008 -11.380 1.00 0.00 H new ATOM 0 HD2 LYS A 595 3.705 -10.723 -9.974 1.00 0.00 H new ATOM 0 HD3 LYS A 595 2.540 -9.671 -10.754 1.00 0.00 H new ATOM 0 HE2 LYS A 595 2.773 -11.031 -12.869 1.00 0.00 H new ATOM 0 HE3 LYS A 595 3.867 -12.111 -12.028 1.00 0.00 H new ATOM 0 HZ1 LYS A 595 1.622 -12.956 -12.017 1.00 0.00 H new ATOM 0 HZ2 LYS A 595 2.119 -12.597 -10.433 1.00 0.00 H new ATOM 0 HZ3 LYS A 595 1.059 -11.551 -11.248 1.00 0.00 H new ATOM 1408 N LEU A 596 5.171 -5.112 -10.356 1.00 0.00 N ATOM 1409 CA LEU A 596 4.757 -3.722 -10.172 1.00 0.00 C ATOM 1410 C LEU A 596 5.401 -2.833 -11.239 1.00 0.00 C ATOM 1411 O LEU A 596 4.760 -1.915 -11.751 1.00 0.00 O ATOM 1412 CB LEU A 596 5.115 -3.217 -8.764 1.00 0.00 C ATOM 1413 CG LEU A 596 4.315 -3.845 -7.604 1.00 0.00 C ATOM 1414 CD1 LEU A 596 4.915 -3.392 -6.267 1.00 0.00 C ATOM 1415 CD2 LEU A 596 2.831 -3.459 -7.631 1.00 0.00 C ATOM 0 H LEU A 596 5.578 -5.536 -9.522 1.00 0.00 H new ATOM 0 HA LEU A 596 3.673 -3.674 -10.279 1.00 0.00 H new ATOM 0 HB2 LEU A 596 6.175 -3.401 -8.591 1.00 0.00 H new ATOM 0 HB3 LEU A 596 4.970 -2.137 -8.738 1.00 0.00 H new ATOM 0 HG LEU A 596 4.381 -4.927 -7.720 1.00 0.00 H new ATOM 0 HD11 LEU A 596 4.351 -3.835 -5.446 1.00 0.00 H new ATOM 0 HD12 LEU A 596 5.955 -3.713 -6.207 1.00 0.00 H new ATOM 0 HD13 LEU A 596 4.866 -2.305 -6.196 1.00 0.00 H new ATOM 0 HD21 LEU A 596 2.317 -3.929 -6.792 1.00 0.00 H new ATOM 0 HD22 LEU A 596 2.735 -2.376 -7.554 1.00 0.00 H new ATOM 0 HD23 LEU A 596 2.384 -3.797 -8.566 1.00 0.00 H new ATOM 1427 N ASN A 597 6.638 -3.139 -11.639 1.00 0.00 N ATOM 1428 CA ASN A 597 7.345 -2.433 -12.711 1.00 0.00 C ATOM 1429 C ASN A 597 6.592 -2.521 -14.035 1.00 0.00 C ATOM 1430 O ASN A 597 6.583 -1.557 -14.797 1.00 0.00 O ATOM 1431 CB ASN A 597 8.740 -3.021 -12.970 1.00 0.00 C ATOM 1432 CG ASN A 597 9.595 -3.176 -11.728 1.00 0.00 C ATOM 1433 OD1 ASN A 597 9.628 -2.321 -10.851 1.00 0.00 O ATOM 1434 ND2 ASN A 597 10.264 -4.303 -11.621 1.00 0.00 N ATOM 0 H ASN A 597 7.184 -3.893 -11.222 1.00 0.00 H new ATOM 0 HA ASN A 597 7.421 -1.401 -12.370 1.00 0.00 H new ATOM 0 HB2 ASN A 597 8.628 -3.997 -13.443 1.00 0.00 H new ATOM 0 HB3 ASN A 597 9.264 -2.381 -13.680 1.00 0.00 H new ATOM 0 HD21 ASN A 597 10.829 -4.484 -10.792 1.00 0.00 H new ATOM 0 HD22 ASN A 597 10.217 -4.997 -12.367 1.00 0.00 H new ATOM 1441 N SER A 598 5.989 -3.676 -14.318 1.00 0.00 N ATOM 1442 CA SER A 598 5.258 -4.005 -15.534 1.00 0.00 C ATOM 1443 C SER A 598 3.984 -3.172 -15.658 1.00 0.00 C ATOM 1444 O SER A 598 3.556 -2.872 -16.778 1.00 0.00 O ATOM 1445 CB SER A 598 4.889 -5.493 -15.466 1.00 0.00 C ATOM 1446 OG SER A 598 4.792 -6.110 -16.735 1.00 0.00 O ATOM 0 H SER A 598 6.001 -4.454 -13.659 1.00 0.00 H new ATOM 0 HA SER A 598 5.881 -3.789 -16.402 1.00 0.00 H new ATOM 0 HB2 SER A 598 5.637 -6.018 -14.872 1.00 0.00 H new ATOM 0 HB3 SER A 598 3.937 -5.600 -14.946 1.00 0.00 H new ATOM 0 HG SER A 598 4.557 -7.055 -16.622 1.00 0.00 H new ATOM 1452 N LEU A 599 3.384 -2.838 -14.513 1.00 0.00 N ATOM 1453 CA LEU A 599 2.211 -2.005 -14.365 1.00 0.00 C ATOM 1454 C LEU A 599 2.647 -0.548 -14.468 1.00 0.00 C ATOM 1455 O LEU A 599 1.927 0.256 -15.053 1.00 0.00 O ATOM 1456 CB LEU A 599 1.567 -2.244 -12.985 1.00 0.00 C ATOM 1457 CG LEU A 599 1.268 -3.694 -12.579 1.00 0.00 C ATOM 1458 CD1 LEU A 599 0.730 -3.661 -11.146 1.00 0.00 C ATOM 1459 CD2 LEU A 599 0.256 -4.363 -13.514 1.00 0.00 C ATOM 0 H LEU A 599 3.735 -3.168 -13.614 1.00 0.00 H new ATOM 0 HA LEU A 599 1.484 -2.246 -15.141 1.00 0.00 H new ATOM 0 HB2 LEU A 599 2.223 -1.813 -12.229 1.00 0.00 H new ATOM 0 HB3 LEU A 599 0.631 -1.686 -12.950 1.00 0.00 H new ATOM 0 HG LEU A 599 2.181 -4.285 -12.647 1.00 0.00 H new ATOM 0 HD11 LEU A 599 0.504 -4.676 -10.819 1.00 0.00 H new ATOM 0 HD12 LEU A 599 1.480 -3.225 -10.486 1.00 0.00 H new ATOM 0 HD13 LEU A 599 -0.178 -3.059 -11.112 1.00 0.00 H new ATOM 0 HD21 LEU A 599 0.078 -5.387 -13.185 1.00 0.00 H new ATOM 0 HD22 LEU A 599 -0.681 -3.807 -13.493 1.00 0.00 H new ATOM 0 HD23 LEU A 599 0.650 -4.372 -14.530 1.00 0.00 H new ATOM 1471 N ASN A 600 3.822 -0.217 -13.906 1.00 0.00 N ATOM 1472 CA ASN A 600 4.442 1.114 -13.838 1.00 0.00 C ATOM 1473 C ASN A 600 3.594 2.138 -13.088 1.00 0.00 C ATOM 1474 O ASN A 600 3.953 3.310 -13.030 1.00 0.00 O ATOM 1475 CB ASN A 600 5.015 1.628 -15.190 1.00 0.00 C ATOM 1476 CG ASN A 600 4.495 0.943 -16.447 1.00 0.00 C ATOM 1477 OD1 ASN A 600 3.683 1.475 -17.199 1.00 0.00 O ATOM 1478 ND2 ASN A 600 4.921 -0.284 -16.688 1.00 0.00 N ATOM 0 H ASN A 600 4.403 -0.924 -13.456 1.00 0.00 H new ATOM 0 HA ASN A 600 5.329 0.975 -13.220 1.00 0.00 H new ATOM 0 HB2 ASN A 600 4.802 2.694 -15.268 1.00 0.00 H new ATOM 0 HB3 ASN A 600 6.099 1.520 -15.165 1.00 0.00 H new ATOM 0 HD21 ASN A 600 4.575 -0.793 -17.501 1.00 0.00 H new ATOM 0 HD22 ASN A 600 5.596 -0.722 -16.061 1.00 0.00 H new ATOM 1485 N GLU A 601 2.496 1.704 -12.474 1.00 0.00 N ATOM 1486 CA GLU A 601 1.469 2.586 -11.971 1.00 0.00 C ATOM 1487 C GLU A 601 1.905 3.315 -10.694 1.00 0.00 C ATOM 1488 O GLU A 601 2.750 2.810 -9.955 1.00 0.00 O ATOM 1489 CB GLU A 601 0.177 1.782 -11.759 1.00 0.00 C ATOM 1490 CG GLU A 601 -0.329 1.224 -13.098 1.00 0.00 C ATOM 1491 CD GLU A 601 -1.840 1.348 -13.264 1.00 0.00 C ATOM 1492 OE1 GLU A 601 -2.309 2.496 -13.457 1.00 0.00 O ATOM 1493 OE2 GLU A 601 -2.528 0.299 -13.218 1.00 0.00 O ATOM 0 H GLU A 601 2.301 0.716 -12.314 1.00 0.00 H new ATOM 0 HA GLU A 601 1.286 3.367 -12.709 1.00 0.00 H new ATOM 0 HB2 GLU A 601 0.360 0.964 -11.062 1.00 0.00 H new ATOM 0 HB3 GLU A 601 -0.586 2.418 -11.311 1.00 0.00 H new ATOM 0 HG2 GLU A 601 0.165 1.751 -13.914 1.00 0.00 H new ATOM 0 HG3 GLU A 601 -0.045 0.175 -13.178 1.00 0.00 H new ATOM 1500 N PRO A 602 1.352 4.510 -10.424 1.00 0.00 N ATOM 1501 CA PRO A 602 1.678 5.285 -9.239 1.00 0.00 C ATOM 1502 C PRO A 602 1.103 4.602 -7.998 1.00 0.00 C ATOM 1503 O PRO A 602 -0.106 4.368 -7.930 1.00 0.00 O ATOM 1504 CB PRO A 602 1.079 6.672 -9.476 1.00 0.00 C ATOM 1505 CG PRO A 602 0.006 6.492 -10.550 1.00 0.00 C ATOM 1506 CD PRO A 602 0.329 5.167 -11.227 1.00 0.00 C ATOM 0 HA PRO A 602 2.751 5.364 -9.067 1.00 0.00 H new ATOM 0 HB2 PRO A 602 0.649 7.073 -8.558 1.00 0.00 H new ATOM 0 HB3 PRO A 602 1.844 7.376 -9.803 1.00 0.00 H new ATOM 0 HG2 PRO A 602 -0.991 6.475 -10.110 1.00 0.00 H new ATOM 0 HG3 PRO A 602 0.025 7.314 -11.266 1.00 0.00 H new ATOM 0 HD2 PRO A 602 -0.563 4.544 -11.298 1.00 0.00 H new ATOM 0 HD3 PRO A 602 0.685 5.331 -12.244 1.00 0.00 H new ATOM 1514 N LEU A 603 1.961 4.278 -7.024 1.00 0.00 N ATOM 1515 CA LEU A 603 1.576 3.474 -5.871 1.00 0.00 C ATOM 1516 C LEU A 603 1.502 4.278 -4.569 1.00 0.00 C ATOM 1517 O LEU A 603 2.010 5.402 -4.472 1.00 0.00 O ATOM 1518 CB LEU A 603 2.539 2.301 -5.652 1.00 0.00 C ATOM 1519 CG LEU A 603 3.031 1.480 -6.854 1.00 0.00 C ATOM 1520 CD1 LEU A 603 3.987 0.402 -6.326 1.00 0.00 C ATOM 1521 CD2 LEU A 603 1.886 0.801 -7.602 1.00 0.00 C ATOM 0 H LEU A 603 2.939 4.568 -7.018 1.00 0.00 H new ATOM 0 HA LEU A 603 0.578 3.106 -6.109 1.00 0.00 H new ATOM 0 HB2 LEU A 603 3.420 2.694 -5.145 1.00 0.00 H new ATOM 0 HB3 LEU A 603 2.056 1.609 -4.962 1.00 0.00 H new ATOM 0 HG LEU A 603 3.523 2.155 -7.555 1.00 0.00 H new ATOM 0 HD11 LEU A 603 4.354 -0.198 -7.158 1.00 0.00 H new ATOM 0 HD12 LEU A 603 4.829 0.877 -5.823 1.00 0.00 H new ATOM 0 HD13 LEU A 603 3.458 -0.240 -5.621 1.00 0.00 H new ATOM 0 HD21 LEU A 603 2.286 0.234 -8.442 1.00 0.00 H new ATOM 0 HD22 LEU A 603 1.360 0.127 -6.927 1.00 0.00 H new ATOM 0 HD23 LEU A 603 1.194 1.557 -7.972 1.00 0.00 H new ATOM 1533 N VAL A 604 0.958 3.650 -3.524 1.00 0.00 N ATOM 1534 CA VAL A 604 0.981 4.125 -2.145 1.00 0.00 C ATOM 1535 C VAL A 604 1.034 2.897 -1.212 1.00 0.00 C ATOM 1536 O VAL A 604 0.104 2.085 -1.178 1.00 0.00 O ATOM 1537 CB VAL A 604 -0.214 5.082 -1.923 1.00 0.00 C ATOM 1538 CG1 VAL A 604 -1.584 4.440 -2.138 1.00 0.00 C ATOM 1539 CG2 VAL A 604 -0.222 5.734 -0.538 1.00 0.00 C ATOM 0 H VAL A 604 0.470 2.760 -3.623 1.00 0.00 H new ATOM 0 HA VAL A 604 1.867 4.716 -1.913 1.00 0.00 H new ATOM 0 HB VAL A 604 -0.054 5.840 -2.690 1.00 0.00 H new ATOM 0 HG11 VAL A 604 -2.364 5.180 -1.962 1.00 0.00 H new ATOM 0 HG12 VAL A 604 -1.657 4.072 -3.162 1.00 0.00 H new ATOM 0 HG13 VAL A 604 -1.709 3.609 -1.444 1.00 0.00 H new ATOM 0 HG21 VAL A 604 -1.086 6.392 -0.451 1.00 0.00 H new ATOM 0 HG22 VAL A 604 -0.276 4.960 0.228 1.00 0.00 H new ATOM 0 HG23 VAL A 604 0.691 6.314 -0.404 1.00 0.00 H new ATOM 1549 N THR A 605 2.135 2.698 -0.484 1.00 0.00 N ATOM 1550 CA THR A 605 2.217 1.685 0.576 1.00 0.00 C ATOM 1551 C THR A 605 3.278 2.012 1.636 1.00 0.00 C ATOM 1552 O THR A 605 3.607 3.170 1.864 1.00 0.00 O ATOM 1553 CB THR A 605 2.347 0.271 -0.028 1.00 0.00 C ATOM 1554 OG1 THR A 605 1.854 -0.673 0.898 1.00 0.00 O ATOM 1555 CG2 THR A 605 3.734 -0.204 -0.429 1.00 0.00 C ATOM 0 H THR A 605 2.995 3.232 -0.611 1.00 0.00 H new ATOM 0 HA THR A 605 1.277 1.703 1.128 1.00 0.00 H new ATOM 0 HB THR A 605 1.780 0.348 -0.956 1.00 0.00 H new ATOM 0 HG1 THR A 605 1.170 -1.227 0.468 1.00 0.00 H new ATOM 0 HG21 THR A 605 3.669 -1.213 -0.837 1.00 0.00 H new ATOM 0 HG22 THR A 605 4.144 0.467 -1.184 1.00 0.00 H new ATOM 0 HG23 THR A 605 4.385 -0.207 0.446 1.00 0.00 H new ATOM 1563 N MET A 606 3.700 1.003 2.387 1.00 0.00 N ATOM 1564 CA MET A 606 4.832 0.956 3.315 1.00 0.00 C ATOM 1565 C MET A 606 6.042 0.362 2.586 1.00 0.00 C ATOM 1566 O MET A 606 5.994 0.224 1.366 1.00 0.00 O ATOM 1567 CB MET A 606 4.431 0.181 4.578 1.00 0.00 C ATOM 1568 CG MET A 606 2.978 0.407 4.973 1.00 0.00 C ATOM 1569 SD MET A 606 1.911 -1.025 4.654 1.00 0.00 S ATOM 1570 CE MET A 606 0.358 -0.172 4.299 1.00 0.00 C ATOM 0 H MET A 606 3.213 0.107 2.362 1.00 0.00 H new ATOM 0 HA MET A 606 5.116 1.954 3.648 1.00 0.00 H new ATOM 0 HB2 MET A 606 4.596 -0.884 4.413 1.00 0.00 H new ATOM 0 HB3 MET A 606 5.078 0.480 5.403 1.00 0.00 H new ATOM 0 HG2 MET A 606 2.932 0.655 6.033 1.00 0.00 H new ATOM 0 HG3 MET A 606 2.591 1.267 4.427 1.00 0.00 H new ATOM 0 HE1 MET A 606 -0.462 -0.890 4.307 1.00 0.00 H new ATOM 0 HE2 MET A 606 0.180 0.590 5.058 1.00 0.00 H new ATOM 0 HE3 MET A 606 0.418 0.300 3.318 1.00 0.00 H new ATOM 1580 N PRO A 607 7.183 0.074 3.224 1.00 0.00 N ATOM 1581 CA PRO A 607 8.281 -0.602 2.546 1.00 0.00 C ATOM 1582 C PRO A 607 8.003 -2.088 2.213 1.00 0.00 C ATOM 1583 O PRO A 607 8.876 -2.931 2.381 1.00 0.00 O ATOM 1584 CB PRO A 607 9.489 -0.361 3.451 1.00 0.00 C ATOM 1585 CG PRO A 607 9.017 0.367 4.704 1.00 0.00 C ATOM 1586 CD PRO A 607 7.505 0.333 4.613 1.00 0.00 C ATOM 0 HA PRO A 607 8.451 -0.201 1.547 1.00 0.00 H new ATOM 0 HB2 PRO A 607 9.958 -1.308 3.717 1.00 0.00 H new ATOM 0 HB3 PRO A 607 10.241 0.231 2.929 1.00 0.00 H new ATOM 0 HG2 PRO A 607 9.372 -0.128 5.608 1.00 0.00 H new ATOM 0 HG3 PRO A 607 9.390 1.391 4.733 1.00 0.00 H new ATOM 0 HD2 PRO A 607 7.095 -0.444 5.258 1.00 0.00 H new ATOM 0 HD3 PRO A 607 7.075 1.279 4.941 1.00 0.00 H new ATOM 1594 N ILE A 608 6.809 -2.406 1.696 1.00 0.00 N ATOM 1595 CA ILE A 608 6.222 -3.713 1.386 1.00 0.00 C ATOM 1596 C ILE A 608 6.745 -4.823 2.305 1.00 0.00 C ATOM 1597 O ILE A 608 6.142 -5.081 3.347 1.00 0.00 O ATOM 1598 CB ILE A 608 6.291 -4.021 -0.136 1.00 0.00 C ATOM 1599 CG1 ILE A 608 5.474 -2.967 -0.915 1.00 0.00 C ATOM 1600 CG2 ILE A 608 5.707 -5.413 -0.434 1.00 0.00 C ATOM 1601 CD1 ILE A 608 5.246 -3.241 -2.408 1.00 0.00 C ATOM 0 H ILE A 608 6.154 -1.661 1.457 1.00 0.00 H new ATOM 0 HA ILE A 608 5.157 -3.672 1.614 1.00 0.00 H new ATOM 0 HB ILE A 608 7.336 -3.995 -0.444 1.00 0.00 H new ATOM 0 HG12 ILE A 608 4.501 -2.867 -0.434 1.00 0.00 H new ATOM 0 HG13 ILE A 608 5.978 -2.005 -0.818 1.00 0.00 H new ATOM 0 HG21 ILE A 608 5.764 -5.610 -1.505 1.00 0.00 H new ATOM 0 HG22 ILE A 608 6.277 -6.170 0.105 1.00 0.00 H new ATOM 0 HG23 ILE A 608 4.666 -5.447 -0.114 1.00 0.00 H new ATOM 0 HD11 ILE A 608 4.661 -2.430 -2.841 1.00 0.00 H new ATOM 0 HD12 ILE A 608 6.208 -3.306 -2.917 1.00 0.00 H new ATOM 0 HD13 ILE A 608 4.708 -4.181 -2.527 1.00 0.00 H new ATOM 1613 N GLY A 609 7.844 -5.477 1.936 1.00 0.00 N ATOM 1614 CA GLY A 609 8.527 -6.453 2.753 1.00 0.00 C ATOM 1615 C GLY A 609 9.357 -5.709 3.783 1.00 0.00 C ATOM 1616 O GLY A 609 10.520 -5.450 3.549 1.00 0.00 O ATOM 0 H GLY A 609 8.290 -5.331 1.030 1.00 0.00 H new ATOM 0 HA2 GLY A 609 7.808 -7.108 3.245 1.00 0.00 H new ATOM 0 HA3 GLY A 609 9.165 -7.086 2.136 1.00 0.00 H new ATOM 1620 N TYR A 610 8.765 -5.345 4.909 1.00 0.00 N ATOM 1621 CA TYR A 610 9.353 -4.586 6.003 1.00 0.00 C ATOM 1622 C TYR A 610 9.211 -5.276 7.359 1.00 0.00 C ATOM 1623 O TYR A 610 10.064 -5.087 8.222 1.00 0.00 O ATOM 1624 CB TYR A 610 8.699 -3.197 5.985 1.00 0.00 C ATOM 1625 CG TYR A 610 8.886 -2.380 7.240 1.00 0.00 C ATOM 1626 CD1 TYR A 610 10.175 -2.004 7.666 1.00 0.00 C ATOM 1627 CD2 TYR A 610 7.762 -2.063 8.021 1.00 0.00 C ATOM 1628 CE1 TYR A 610 10.338 -1.319 8.883 1.00 0.00 C ATOM 1629 CE2 TYR A 610 7.923 -1.404 9.245 1.00 0.00 C ATOM 1630 CZ TYR A 610 9.211 -1.009 9.673 1.00 0.00 C ATOM 1631 OH TYR A 610 9.361 -0.288 10.817 1.00 0.00 O ATOM 0 H TYR A 610 7.793 -5.589 5.096 1.00 0.00 H new ATOM 0 HA TYR A 610 10.430 -4.506 5.858 1.00 0.00 H new ATOM 0 HB2 TYR A 610 9.101 -2.635 5.142 1.00 0.00 H new ATOM 0 HB3 TYR A 610 7.631 -3.319 5.806 1.00 0.00 H new ATOM 0 HD1 TYR A 610 11.036 -2.241 7.059 1.00 0.00 H new ATOM 0 HD2 TYR A 610 6.773 -2.328 7.677 1.00 0.00 H new ATOM 0 HE1 TYR A 610 11.325 -1.030 9.213 1.00 0.00 H new ATOM 0 HE2 TYR A 610 7.062 -1.197 9.863 1.00 0.00 H new ATOM 0 HH TYR A 610 8.487 -0.161 11.241 1.00 0.00 H new ATOM 1641 N VAL A 611 8.176 -6.092 7.540 1.00 0.00 N ATOM 1642 CA VAL A 611 7.813 -6.712 8.804 1.00 0.00 C ATOM 1643 C VAL A 611 7.337 -8.133 8.534 1.00 0.00 C ATOM 1644 O VAL A 611 7.858 -9.074 9.127 1.00 0.00 O ATOM 1645 CB VAL A 611 6.729 -5.848 9.487 1.00 0.00 C ATOM 1646 CG1 VAL A 611 5.883 -6.579 10.531 1.00 0.00 C ATOM 1647 CG2 VAL A 611 7.352 -4.645 10.190 1.00 0.00 C ATOM 0 H VAL A 611 7.546 -6.347 6.780 1.00 0.00 H new ATOM 0 HA VAL A 611 8.667 -6.770 9.479 1.00 0.00 H new ATOM 0 HB VAL A 611 6.076 -5.556 8.664 1.00 0.00 H new ATOM 0 HG11 VAL A 611 5.151 -5.890 10.954 1.00 0.00 H new ATOM 0 HG12 VAL A 611 5.365 -7.414 10.060 1.00 0.00 H new ATOM 0 HG13 VAL A 611 6.529 -6.954 11.325 1.00 0.00 H new ATOM 0 HG21 VAL A 611 6.568 -4.053 10.662 1.00 0.00 H new ATOM 0 HG22 VAL A 611 8.053 -4.990 10.949 1.00 0.00 H new ATOM 0 HG23 VAL A 611 7.880 -4.031 9.461 1.00 0.00 H new ATOM 1657 N THR A 612 6.361 -8.317 7.637 1.00 0.00 N ATOM 1658 CA THR A 612 5.734 -9.621 7.412 1.00 0.00 C ATOM 1659 C THR A 612 6.791 -10.656 7.006 1.00 0.00 C ATOM 1660 O THR A 612 6.909 -11.709 7.637 1.00 0.00 O ATOM 1661 CB THR A 612 4.504 -9.523 6.467 1.00 0.00 C ATOM 1662 OG1 THR A 612 4.395 -10.613 5.569 1.00 0.00 O ATOM 1663 CG2 THR A 612 4.443 -8.241 5.630 1.00 0.00 C ATOM 0 H THR A 612 5.987 -7.570 7.051 1.00 0.00 H new ATOM 0 HA THR A 612 5.310 -9.984 8.348 1.00 0.00 H new ATOM 0 HB THR A 612 3.673 -9.528 7.172 1.00 0.00 H new ATOM 0 HG1 THR A 612 3.741 -11.257 5.914 1.00 0.00 H new ATOM 0 HG21 THR A 612 3.553 -8.259 5.001 1.00 0.00 H new ATOM 0 HG22 THR A 612 4.402 -7.376 6.292 1.00 0.00 H new ATOM 0 HG23 THR A 612 5.331 -8.175 5.001 1.00 0.00 H new ATOM 1671 N HIS A 613 7.610 -10.321 6.002 1.00 0.00 N ATOM 1672 CA HIS A 613 8.712 -11.164 5.520 1.00 0.00 C ATOM 1673 C HIS A 613 9.845 -11.268 6.563 1.00 0.00 C ATOM 1674 O HIS A 613 10.873 -11.880 6.280 1.00 0.00 O ATOM 1675 CB HIS A 613 9.202 -10.642 4.141 1.00 0.00 C ATOM 1676 CG HIS A 613 9.979 -11.628 3.280 1.00 0.00 C ATOM 1677 ND1 HIS A 613 11.125 -12.297 3.664 1.00 0.00 N ATOM 1678 CD2 HIS A 613 9.717 -11.984 1.979 1.00 0.00 C ATOM 1679 CE1 HIS A 613 11.555 -13.028 2.630 1.00 0.00 C ATOM 1680 NE2 HIS A 613 10.711 -12.869 1.599 1.00 0.00 N ATOM 0 H HIS A 613 7.525 -9.441 5.493 1.00 0.00 H new ATOM 0 HA HIS A 613 8.350 -12.183 5.379 1.00 0.00 H new ATOM 0 HB2 HIS A 613 8.333 -10.305 3.575 1.00 0.00 H new ATOM 0 HB3 HIS A 613 9.830 -9.768 4.311 1.00 0.00 H new ATOM 0 HD1 HIS A 613 11.568 -12.243 4.581 1.00 0.00 H new ATOM 0 HD2 HIS A 613 8.894 -11.640 1.370 1.00 0.00 H new ATOM 0 HE1 HIS A 613 12.440 -13.647 2.625 1.00 0.00 H new ATOM 1689 N GLY A 614 9.741 -10.651 7.742 1.00 0.00 N ATOM 1690 CA GLY A 614 10.849 -10.537 8.684 1.00 0.00 C ATOM 1691 C GLY A 614 12.017 -9.774 8.064 1.00 0.00 C ATOM 1692 O GLY A 614 13.168 -10.098 8.353 1.00 0.00 O ATOM 0 H GLY A 614 8.879 -10.215 8.069 1.00 0.00 H new ATOM 0 HA2 GLY A 614 10.513 -10.025 9.586 1.00 0.00 H new ATOM 0 HA3 GLY A 614 11.178 -11.531 8.986 1.00 0.00 H new ATOM 1696 N PHE A 615 11.733 -8.825 7.162 1.00 0.00 N ATOM 1697 CA PHE A 615 12.703 -7.817 6.742 1.00 0.00 C ATOM 1698 C PHE A 615 12.757 -6.741 7.836 1.00 0.00 C ATOM 1699 O PHE A 615 12.208 -6.919 8.923 1.00 0.00 O ATOM 1700 CB PHE A 615 12.323 -7.246 5.362 1.00 0.00 C ATOM 1701 CG PHE A 615 12.648 -8.069 4.119 1.00 0.00 C ATOM 1702 CD1 PHE A 615 12.963 -9.441 4.166 1.00 0.00 C ATOM 1703 CD2 PHE A 615 12.676 -7.416 2.874 1.00 0.00 C ATOM 1704 CE1 PHE A 615 13.309 -10.127 2.988 1.00 0.00 C ATOM 1705 CE2 PHE A 615 12.976 -8.105 1.690 1.00 0.00 C ATOM 1706 CZ PHE A 615 13.287 -9.470 1.746 1.00 0.00 C ATOM 0 H PHE A 615 10.825 -8.738 6.706 1.00 0.00 H new ATOM 0 HA PHE A 615 13.696 -8.250 6.623 1.00 0.00 H new ATOM 0 HB2 PHE A 615 11.249 -7.060 5.365 1.00 0.00 H new ATOM 0 HB3 PHE A 615 12.814 -6.279 5.257 1.00 0.00 H new ATOM 0 HD1 PHE A 615 12.939 -9.967 5.109 1.00 0.00 H new ATOM 0 HD2 PHE A 615 12.461 -6.359 2.829 1.00 0.00 H new ATOM 0 HE1 PHE A 615 13.594 -11.167 3.038 1.00 0.00 H new ATOM 0 HE2 PHE A 615 12.967 -7.587 0.742 1.00 0.00 H new ATOM 0 HZ PHE A 615 13.509 -10.014 0.840 1.00 0.00 H new ATOM 1716 N ASN A 616 13.453 -5.637 7.572 1.00 0.00 N ATOM 1717 CA ASN A 616 13.581 -4.483 8.456 1.00 0.00 C ATOM 1718 C ASN A 616 13.850 -3.267 7.606 1.00 0.00 C ATOM 1719 O ASN A 616 14.089 -3.413 6.413 1.00 0.00 O ATOM 1720 CB ASN A 616 14.737 -4.702 9.426 1.00 0.00 C ATOM 1721 CG ASN A 616 16.096 -4.202 8.943 1.00 0.00 C ATOM 1722 OD1 ASN A 616 16.531 -4.539 7.846 1.00 0.00 O ATOM 1723 ND2 ASN A 616 16.790 -3.393 9.724 1.00 0.00 N ATOM 0 H ASN A 616 13.965 -5.518 6.698 1.00 0.00 H new ATOM 0 HA ASN A 616 12.666 -4.345 9.031 1.00 0.00 H new ATOM 0 HB2 ASN A 616 14.499 -4.206 10.367 1.00 0.00 H new ATOM 0 HB3 ASN A 616 14.815 -5.768 9.638 1.00 0.00 H new ATOM 0 HD21 ASN A 616 17.697 -3.042 9.417 1.00 0.00 H new ATOM 0 HD22 ASN A 616 16.419 -3.120 10.634 1.00 0.00 H new ATOM 1730 N LEU A 617 13.881 -2.086 8.216 1.00 0.00 N ATOM 1731 CA LEU A 617 13.911 -0.808 7.505 1.00 0.00 C ATOM 1732 C LEU A 617 15.005 -0.724 6.441 1.00 0.00 C ATOM 1733 O LEU A 617 14.807 -0.064 5.428 1.00 0.00 O ATOM 1734 CB LEU A 617 14.082 0.336 8.517 1.00 0.00 C ATOM 1735 CG LEU A 617 13.600 1.705 8.004 1.00 0.00 C ATOM 1736 CD1 LEU A 617 12.079 1.715 7.774 1.00 0.00 C ATOM 1737 CD2 LEU A 617 13.945 2.807 9.015 1.00 0.00 C ATOM 0 H LEU A 617 13.886 -1.986 9.231 1.00 0.00 H new ATOM 0 HA LEU A 617 12.961 -0.720 6.977 1.00 0.00 H new ATOM 0 HB2 LEU A 617 13.535 0.087 9.426 1.00 0.00 H new ATOM 0 HB3 LEU A 617 15.135 0.412 8.789 1.00 0.00 H new ATOM 0 HG LEU A 617 14.107 1.890 7.057 1.00 0.00 H new ATOM 0 HD11 LEU A 617 11.772 2.696 7.412 1.00 0.00 H new ATOM 0 HD12 LEU A 617 11.818 0.958 7.035 1.00 0.00 H new ATOM 0 HD13 LEU A 617 11.568 1.498 8.712 1.00 0.00 H new ATOM 0 HD21 LEU A 617 13.598 3.769 8.638 1.00 0.00 H new ATOM 0 HD22 LEU A 617 13.458 2.593 9.966 1.00 0.00 H new ATOM 0 HD23 LEU A 617 15.025 2.843 9.160 1.00 0.00 H new ATOM 1749 N GLU A 618 16.129 -1.399 6.669 1.00 0.00 N ATOM 1750 CA GLU A 618 17.275 -1.437 5.778 1.00 0.00 C ATOM 1751 C GLU A 618 16.999 -2.344 4.575 1.00 0.00 C ATOM 1752 O GLU A 618 17.092 -1.890 3.436 1.00 0.00 O ATOM 1753 CB GLU A 618 18.464 -1.921 6.607 1.00 0.00 C ATOM 1754 CG GLU A 618 19.725 -2.224 5.795 1.00 0.00 C ATOM 1755 CD GLU A 618 20.841 -2.740 6.696 1.00 0.00 C ATOM 1756 OE1 GLU A 618 20.564 -3.410 7.719 1.00 0.00 O ATOM 1757 OE2 GLU A 618 22.013 -2.396 6.428 1.00 0.00 O ATOM 0 H GLU A 618 16.267 -1.954 7.513 1.00 0.00 H new ATOM 0 HA GLU A 618 17.489 -0.451 5.364 1.00 0.00 H new ATOM 0 HB2 GLU A 618 18.702 -1.164 7.354 1.00 0.00 H new ATOM 0 HB3 GLU A 618 18.171 -2.821 7.148 1.00 0.00 H new ATOM 0 HG2 GLU A 618 19.499 -2.965 5.028 1.00 0.00 H new ATOM 0 HG3 GLU A 618 20.056 -1.322 5.279 1.00 0.00 H new ATOM 1764 N GLU A 619 16.683 -3.619 4.821 1.00 0.00 N ATOM 1765 CA GLU A 619 16.485 -4.641 3.784 1.00 0.00 C ATOM 1766 C GLU A 619 15.297 -4.260 2.912 1.00 0.00 C ATOM 1767 O GLU A 619 15.310 -4.361 1.686 1.00 0.00 O ATOM 1768 CB GLU A 619 16.162 -5.995 4.430 1.00 0.00 C ATOM 1769 CG GLU A 619 17.237 -6.451 5.422 1.00 0.00 C ATOM 1770 CD GLU A 619 18.090 -7.576 4.847 1.00 0.00 C ATOM 1771 OE1 GLU A 619 19.051 -7.252 4.113 1.00 0.00 O ATOM 1772 OE2 GLU A 619 17.765 -8.756 5.114 1.00 0.00 O ATOM 0 H GLU A 619 16.555 -3.979 5.767 1.00 0.00 H new ATOM 0 HA GLU A 619 17.398 -4.709 3.193 1.00 0.00 H new ATOM 0 HB2 GLU A 619 15.204 -5.927 4.945 1.00 0.00 H new ATOM 0 HB3 GLU A 619 16.052 -6.748 3.649 1.00 0.00 H new ATOM 0 HG2 GLU A 619 17.875 -5.606 5.682 1.00 0.00 H new ATOM 0 HG3 GLU A 619 16.763 -6.788 6.344 1.00 0.00 H new ATOM 1779 N ALA A 620 14.251 -3.825 3.603 1.00 0.00 N ATOM 1780 CA ALA A 620 12.997 -3.370 3.083 1.00 0.00 C ATOM 1781 C ALA A 620 13.229 -2.188 2.138 1.00 0.00 C ATOM 1782 O ALA A 620 12.814 -2.246 0.983 1.00 0.00 O ATOM 1783 CB ALA A 620 12.135 -3.069 4.313 1.00 0.00 C ATOM 0 H ALA A 620 14.274 -3.784 4.622 1.00 0.00 H new ATOM 0 HA ALA A 620 12.475 -4.101 2.466 1.00 0.00 H new ATOM 0 HB1 ALA A 620 11.155 -2.714 3.993 1.00 0.00 H new ATOM 0 HB2 ALA A 620 12.017 -3.976 4.905 1.00 0.00 H new ATOM 0 HB3 ALA A 620 12.619 -2.302 4.918 1.00 0.00 H new ATOM 1789 N ALA A 621 13.949 -1.150 2.581 1.00 0.00 N ATOM 1790 CA ALA A 621 14.323 -0.021 1.734 1.00 0.00 C ATOM 1791 C ALA A 621 15.172 -0.463 0.534 1.00 0.00 C ATOM 1792 O ALA A 621 14.931 0.002 -0.580 1.00 0.00 O ATOM 1793 CB ALA A 621 15.120 0.993 2.562 1.00 0.00 C ATOM 0 H ALA A 621 14.287 -1.073 3.540 1.00 0.00 H new ATOM 0 HA ALA A 621 13.405 0.428 1.354 1.00 0.00 H new ATOM 0 HB1 ALA A 621 15.401 1.837 1.932 1.00 0.00 H new ATOM 0 HB2 ALA A 621 14.508 1.347 3.391 1.00 0.00 H new ATOM 0 HB3 ALA A 621 16.019 0.517 2.953 1.00 0.00 H new ATOM 1799 N ARG A 622 16.155 -1.349 0.745 1.00 0.00 N ATOM 1800 CA ARG A 622 17.021 -1.888 -0.304 1.00 0.00 C ATOM 1801 C ARG A 622 16.183 -2.507 -1.404 1.00 0.00 C ATOM 1802 O ARG A 622 16.306 -2.106 -2.559 1.00 0.00 O ATOM 1803 CB ARG A 622 17.993 -2.919 0.291 1.00 0.00 C ATOM 1804 CG ARG A 622 19.316 -2.243 0.632 1.00 0.00 C ATOM 1805 CD ARG A 622 20.141 -3.087 1.615 1.00 0.00 C ATOM 1806 NE ARG A 622 21.591 -3.138 1.340 1.00 0.00 N ATOM 1807 CZ ARG A 622 22.434 -2.225 0.842 1.00 0.00 C ATOM 1808 NH1 ARG A 622 22.078 -0.964 0.641 1.00 0.00 N ATOM 1809 NH2 ARG A 622 23.669 -2.589 0.541 1.00 0.00 N ATOM 0 H ARG A 622 16.372 -1.717 1.671 1.00 0.00 H new ATOM 0 HA ARG A 622 17.606 -1.076 -0.736 1.00 0.00 H new ATOM 0 HB2 ARG A 622 17.561 -3.366 1.186 1.00 0.00 H new ATOM 0 HB3 ARG A 622 18.160 -3.728 -0.420 1.00 0.00 H new ATOM 0 HG2 ARG A 622 19.889 -2.081 -0.281 1.00 0.00 H new ATOM 0 HG3 ARG A 622 19.124 -1.262 1.066 1.00 0.00 H new ATOM 0 HD2 ARG A 622 19.992 -2.693 2.620 1.00 0.00 H new ATOM 0 HD3 ARG A 622 19.751 -4.105 1.611 1.00 0.00 H new ATOM 0 HE ARG A 622 22.029 -4.030 1.571 1.00 0.00 H new ATOM 0 HH11 ARG A 622 21.132 -0.659 0.868 1.00 0.00 H new ATOM 0 HH12 ARG A 622 22.751 -0.299 0.259 1.00 0.00 H new ATOM 0 HH21 ARG A 622 23.967 -3.553 0.689 1.00 0.00 H new ATOM 0 HH22 ARG A 622 24.324 -1.906 0.161 1.00 0.00 H new ATOM 1823 N CYS A 623 15.319 -3.449 -1.036 1.00 0.00 N ATOM 1824 CA CYS A 623 14.438 -4.105 -1.980 1.00 0.00 C ATOM 1825 C CYS A 623 13.564 -3.067 -2.687 1.00 0.00 C ATOM 1826 O CYS A 623 13.374 -3.152 -3.896 1.00 0.00 O ATOM 1827 CB CYS A 623 13.588 -5.152 -1.250 1.00 0.00 C ATOM 1828 SG CYS A 623 12.980 -6.360 -2.462 1.00 0.00 S ATOM 0 H CYS A 623 15.215 -3.774 -0.075 1.00 0.00 H new ATOM 0 HA CYS A 623 15.028 -4.617 -2.740 1.00 0.00 H new ATOM 0 HB2 CYS A 623 14.181 -5.652 -0.484 1.00 0.00 H new ATOM 0 HB3 CYS A 623 12.751 -4.672 -0.743 1.00 0.00 H new ATOM 0 HG CYS A 623 13.037 -7.554 -1.951 1.00 0.00 H new ATOM 1834 N MET A 624 13.027 -2.091 -1.949 1.00 0.00 N ATOM 1835 CA MET A 624 12.132 -1.077 -2.489 1.00 0.00 C ATOM 1836 C MET A 624 12.811 -0.230 -3.571 1.00 0.00 C ATOM 1837 O MET A 624 12.141 0.108 -4.548 1.00 0.00 O ATOM 1838 CB MET A 624 11.576 -0.221 -1.346 1.00 0.00 C ATOM 1839 CG MET A 624 10.514 -0.983 -0.538 1.00 0.00 C ATOM 1840 SD MET A 624 8.820 -0.902 -1.179 1.00 0.00 S ATOM 1841 CE MET A 624 8.528 0.866 -0.917 1.00 0.00 C ATOM 0 H MET A 624 13.207 -1.986 -0.950 1.00 0.00 H new ATOM 0 HA MET A 624 11.298 -1.575 -2.982 1.00 0.00 H new ATOM 0 HB2 MET A 624 12.390 0.080 -0.686 1.00 0.00 H new ATOM 0 HB3 MET A 624 11.140 0.692 -1.752 1.00 0.00 H new ATOM 0 HG2 MET A 624 10.811 -2.030 -0.482 1.00 0.00 H new ATOM 0 HG3 MET A 624 10.515 -0.597 0.481 1.00 0.00 H new ATOM 0 HE1 MET A 624 7.516 1.016 -0.541 1.00 0.00 H new ATOM 0 HE2 MET A 624 9.245 1.250 -0.191 1.00 0.00 H new ATOM 0 HE3 MET A 624 8.647 1.398 -1.861 1.00 0.00 H new ATOM 1851 N ARG A 625 14.109 0.093 -3.467 1.00 0.00 N ATOM 1852 CA ARG A 625 14.848 0.734 -4.563 1.00 0.00 C ATOM 1853 C ARG A 625 14.750 -0.004 -5.894 1.00 0.00 C ATOM 1854 O ARG A 625 14.797 0.669 -6.928 1.00 0.00 O ATOM 1855 CB ARG A 625 16.329 0.935 -4.223 1.00 0.00 C ATOM 1856 CG ARG A 625 16.510 1.969 -3.112 1.00 0.00 C ATOM 1857 CD ARG A 625 17.966 2.422 -2.996 1.00 0.00 C ATOM 1858 NE ARG A 625 18.483 3.162 -4.161 1.00 0.00 N ATOM 1859 CZ ARG A 625 18.209 4.411 -4.563 1.00 0.00 C ATOM 1860 NH1 ARG A 625 17.068 5.018 -4.233 1.00 0.00 N ATOM 1861 NH2 ARG A 625 19.104 5.046 -5.303 1.00 0.00 N ATOM 0 H ARG A 625 14.669 -0.080 -2.632 1.00 0.00 H new ATOM 0 HA ARG A 625 14.359 1.701 -4.680 1.00 0.00 H new ATOM 0 HB2 ARG A 625 16.765 -0.015 -3.913 1.00 0.00 H new ATOM 0 HB3 ARG A 625 16.868 1.257 -5.114 1.00 0.00 H new ATOM 0 HG2 ARG A 625 15.875 2.832 -3.311 1.00 0.00 H new ATOM 0 HG3 ARG A 625 16.184 1.545 -2.163 1.00 0.00 H new ATOM 0 HD2 ARG A 625 18.066 3.051 -2.112 1.00 0.00 H new ATOM 0 HD3 ARG A 625 18.592 1.544 -2.835 1.00 0.00 H new ATOM 0 HE ARG A 625 19.144 2.650 -4.745 1.00 0.00 H new ATOM 0 HH11 ARG A 625 16.378 4.531 -3.661 1.00 0.00 H new ATOM 0 HH12 ARG A 625 16.885 5.969 -4.553 1.00 0.00 H new ATOM 0 HH21 ARG A 625 19.978 4.584 -5.554 1.00 0.00 H new ATOM 0 HH22 ARG A 625 18.920 5.997 -5.622 1.00 0.00 H new ATOM 1875 N SER A 626 14.617 -1.331 -5.907 1.00 0.00 N ATOM 1876 CA SER A 626 14.483 -2.095 -7.143 1.00 0.00 C ATOM 1877 C SER A 626 13.153 -1.826 -7.867 1.00 0.00 C ATOM 1878 O SER A 626 12.987 -2.275 -9.001 1.00 0.00 O ATOM 1879 CB SER A 626 14.642 -3.589 -6.838 1.00 0.00 C ATOM 1880 OG SER A 626 15.814 -3.834 -6.074 1.00 0.00 O ATOM 0 H SER A 626 14.599 -1.903 -5.063 1.00 0.00 H new ATOM 0 HA SER A 626 15.272 -1.770 -7.821 1.00 0.00 H new ATOM 0 HB2 SER A 626 13.768 -3.947 -6.294 1.00 0.00 H new ATOM 0 HB3 SER A 626 14.689 -4.151 -7.771 1.00 0.00 H new ATOM 0 HG SER A 626 15.891 -4.794 -5.892 1.00 0.00 H new ATOM 1886 N LEU A 627 12.193 -1.130 -7.243 1.00 0.00 N ATOM 1887 CA LEU A 627 10.951 -0.736 -7.889 1.00 0.00 C ATOM 1888 C LEU A 627 11.219 0.347 -8.923 1.00 0.00 C ATOM 1889 O LEU A 627 11.924 1.327 -8.658 1.00 0.00 O ATOM 1890 CB LEU A 627 9.958 -0.223 -6.835 1.00 0.00 C ATOM 1891 CG LEU A 627 8.589 0.179 -7.415 1.00 0.00 C ATOM 1892 CD1 LEU A 627 7.763 -1.035 -7.847 1.00 0.00 C ATOM 1893 CD2 LEU A 627 7.820 1.020 -6.398 1.00 0.00 C ATOM 0 H LEU A 627 12.264 -0.827 -6.272 1.00 0.00 H new ATOM 0 HA LEU A 627 10.522 -1.602 -8.393 1.00 0.00 H new ATOM 0 HB2 LEU A 627 9.810 -0.997 -6.082 1.00 0.00 H new ATOM 0 HB3 LEU A 627 10.394 0.637 -6.327 1.00 0.00 H new ATOM 0 HG LEU A 627 8.771 0.773 -8.311 1.00 0.00 H new ATOM 0 HD11 LEU A 627 6.807 -0.700 -8.249 1.00 0.00 H new ATOM 0 HD12 LEU A 627 8.305 -1.590 -8.613 1.00 0.00 H new ATOM 0 HD13 LEU A 627 7.589 -1.681 -6.987 1.00 0.00 H new ATOM 0 HD21 LEU A 627 6.853 1.301 -6.815 1.00 0.00 H new ATOM 0 HD22 LEU A 627 7.668 0.441 -5.487 1.00 0.00 H new ATOM 0 HD23 LEU A 627 8.390 1.920 -6.165 1.00 0.00 H new ATOM 1905 N LYS A 628 10.565 0.195 -10.073 1.00 0.00 N ATOM 1906 CA LYS A 628 10.659 1.056 -11.239 1.00 0.00 C ATOM 1907 C LYS A 628 9.263 1.590 -11.580 1.00 0.00 C ATOM 1908 O LYS A 628 8.818 1.517 -12.726 1.00 0.00 O ATOM 1909 CB LYS A 628 11.316 0.255 -12.384 1.00 0.00 C ATOM 1910 CG LYS A 628 12.640 -0.472 -12.045 1.00 0.00 C ATOM 1911 CD LYS A 628 13.899 0.341 -12.363 1.00 0.00 C ATOM 1912 CE LYS A 628 13.927 1.628 -11.536 1.00 0.00 C ATOM 1913 NZ LYS A 628 14.977 2.559 -11.972 1.00 0.00 N ATOM 0 H LYS A 628 9.918 -0.580 -10.219 1.00 0.00 H new ATOM 0 HA LYS A 628 11.287 1.928 -11.055 1.00 0.00 H new ATOM 0 HB2 LYS A 628 10.600 -0.487 -12.737 1.00 0.00 H new ATOM 0 HB3 LYS A 628 11.503 0.937 -13.214 1.00 0.00 H new ATOM 0 HG2 LYS A 628 12.642 -0.725 -10.985 1.00 0.00 H new ATOM 0 HG3 LYS A 628 12.678 -1.411 -12.597 1.00 0.00 H new ATOM 0 HD2 LYS A 628 14.787 -0.254 -12.151 1.00 0.00 H new ATOM 0 HD3 LYS A 628 13.924 0.583 -13.425 1.00 0.00 H new ATOM 0 HE2 LYS A 628 12.958 2.121 -11.606 1.00 0.00 H new ATOM 0 HE3 LYS A 628 14.082 1.377 -10.487 1.00 0.00 H new ATOM 0 HZ1 LYS A 628 14.952 3.413 -11.379 1.00 0.00 H new ATOM 0 HZ2 LYS A 628 15.906 2.101 -11.881 1.00 0.00 H new ATOM 0 HZ3 LYS A 628 14.817 2.822 -12.965 1.00 0.00 H new ATOM 1927 N ALA A 629 8.564 2.101 -10.571 1.00 0.00 N ATOM 1928 CA ALA A 629 7.280 2.784 -10.634 1.00 0.00 C ATOM 1929 C ALA A 629 7.282 3.867 -9.538 1.00 0.00 C ATOM 1930 O ALA A 629 8.119 3.783 -8.625 1.00 0.00 O ATOM 1931 CB ALA A 629 6.163 1.760 -10.391 1.00 0.00 C ATOM 0 H ALA A 629 8.910 2.042 -9.613 1.00 0.00 H new ATOM 0 HA ALA A 629 7.114 3.246 -11.607 1.00 0.00 H new ATOM 0 HB1 ALA A 629 5.195 2.260 -10.436 1.00 0.00 H new ATOM 0 HB2 ALA A 629 6.207 0.985 -11.156 1.00 0.00 H new ATOM 0 HB3 ALA A 629 6.292 1.307 -9.408 1.00 0.00 H new ATOM 1937 N PRO A 630 6.408 4.887 -9.605 1.00 0.00 N ATOM 1938 CA PRO A 630 6.275 5.873 -8.539 1.00 0.00 C ATOM 1939 C PRO A 630 5.694 5.222 -7.281 1.00 0.00 C ATOM 1940 O PRO A 630 4.865 4.316 -7.358 1.00 0.00 O ATOM 1941 CB PRO A 630 5.338 6.964 -9.070 1.00 0.00 C ATOM 1942 CG PRO A 630 5.129 6.640 -10.546 1.00 0.00 C ATOM 1943 CD PRO A 630 5.465 5.158 -10.676 1.00 0.00 C ATOM 0 HA PRO A 630 7.243 6.292 -8.264 1.00 0.00 H new ATOM 0 HB2 PRO A 630 4.391 6.964 -8.531 1.00 0.00 H new ATOM 0 HB3 PRO A 630 5.777 7.954 -8.944 1.00 0.00 H new ATOM 0 HG2 PRO A 630 4.102 6.840 -10.853 1.00 0.00 H new ATOM 0 HG3 PRO A 630 5.775 7.248 -11.179 1.00 0.00 H new ATOM 0 HD2 PRO A 630 4.571 4.541 -10.579 1.00 0.00 H new ATOM 0 HD3 PRO A 630 5.901 4.937 -11.650 1.00 0.00 H new ATOM 1951 N ALA A 631 6.102 5.707 -6.115 1.00 0.00 N ATOM 1952 CA ALA A 631 5.847 5.091 -4.828 1.00 0.00 C ATOM 1953 C ALA A 631 5.829 6.161 -3.747 1.00 0.00 C ATOM 1954 O ALA A 631 6.880 6.675 -3.343 1.00 0.00 O ATOM 1955 CB ALA A 631 6.953 4.071 -4.540 1.00 0.00 C ATOM 0 H ALA A 631 6.639 6.571 -6.042 1.00 0.00 H new ATOM 0 HA ALA A 631 4.881 4.587 -4.840 1.00 0.00 H new ATOM 0 HB1 ALA A 631 6.772 3.601 -3.574 1.00 0.00 H new ATOM 0 HB2 ALA A 631 6.957 3.309 -5.319 1.00 0.00 H new ATOM 0 HB3 ALA A 631 7.918 4.577 -4.522 1.00 0.00 H new ATOM 1961 N VAL A 632 4.634 6.467 -3.247 1.00 0.00 N ATOM 1962 CA VAL A 632 4.511 6.985 -1.891 1.00 0.00 C ATOM 1963 C VAL A 632 4.771 5.804 -0.958 1.00 0.00 C ATOM 1964 O VAL A 632 4.272 4.695 -1.193 1.00 0.00 O ATOM 1965 CB VAL A 632 3.144 7.659 -1.674 1.00 0.00 C ATOM 1966 CG1 VAL A 632 2.892 8.144 -0.241 1.00 0.00 C ATOM 1967 CG2 VAL A 632 3.066 8.923 -2.531 1.00 0.00 C ATOM 0 H VAL A 632 3.753 6.367 -3.751 1.00 0.00 H new ATOM 0 HA VAL A 632 5.234 7.774 -1.687 1.00 0.00 H new ATOM 0 HB VAL A 632 2.412 6.892 -1.927 1.00 0.00 H new ATOM 0 HG11 VAL A 632 1.906 8.605 -0.181 1.00 0.00 H new ATOM 0 HG12 VAL A 632 2.939 7.297 0.443 1.00 0.00 H new ATOM 0 HG13 VAL A 632 3.652 8.875 0.035 1.00 0.00 H new ATOM 0 HG21 VAL A 632 2.100 9.405 -2.382 1.00 0.00 H new ATOM 0 HG22 VAL A 632 3.862 9.609 -2.241 1.00 0.00 H new ATOM 0 HG23 VAL A 632 3.180 8.658 -3.582 1.00 0.00 H new ATOM 1977 N VAL A 633 5.591 6.032 0.060 1.00 0.00 N ATOM 1978 CA VAL A 633 5.953 5.059 1.084 1.00 0.00 C ATOM 1979 C VAL A 633 5.573 5.677 2.421 1.00 0.00 C ATOM 1980 O VAL A 633 5.359 6.890 2.505 1.00 0.00 O ATOM 1981 CB VAL A 633 7.452 4.689 0.965 1.00 0.00 C ATOM 1982 CG1 VAL A 633 7.884 3.605 1.966 1.00 0.00 C ATOM 1983 CG2 VAL A 633 7.782 4.165 -0.438 1.00 0.00 C ATOM 0 H VAL A 633 6.041 6.937 0.201 1.00 0.00 H new ATOM 0 HA VAL A 633 5.421 4.114 0.971 1.00 0.00 H new ATOM 0 HB VAL A 633 7.991 5.612 1.179 1.00 0.00 H new ATOM 0 HG11 VAL A 633 8.944 3.389 1.833 1.00 0.00 H new ATOM 0 HG12 VAL A 633 7.710 3.958 2.982 1.00 0.00 H new ATOM 0 HG13 VAL A 633 7.305 2.698 1.793 1.00 0.00 H new ATOM 0 HG21 VAL A 633 8.841 3.913 -0.493 1.00 0.00 H new ATOM 0 HG22 VAL A 633 7.186 3.276 -0.644 1.00 0.00 H new ATOM 0 HG23 VAL A 633 7.553 4.933 -1.176 1.00 0.00 H new ATOM 1993 N SER A 634 5.478 4.878 3.477 1.00 0.00 N ATOM 1994 CA SER A 634 5.286 5.417 4.796 1.00 0.00 C ATOM 1995 C SER A 634 5.840 4.438 5.817 1.00 0.00 C ATOM 1996 O SER A 634 6.137 3.292 5.475 1.00 0.00 O ATOM 1997 CB SER A 634 3.791 5.649 4.943 1.00 0.00 C ATOM 1998 OG SER A 634 3.504 6.345 6.124 1.00 0.00 O ATOM 0 H SER A 634 5.532 3.860 3.435 1.00 0.00 H new ATOM 0 HA SER A 634 5.813 6.358 4.957 1.00 0.00 H new ATOM 0 HB2 SER A 634 3.421 6.212 4.086 1.00 0.00 H new ATOM 0 HB3 SER A 634 3.269 4.692 4.945 1.00 0.00 H new ATOM 0 HG SER A 634 4.021 7.177 6.147 1.00 0.00 H new ATOM 2004 N VAL A 635 5.986 4.902 7.051 1.00 0.00 N ATOM 2005 CA VAL A 635 6.560 4.168 8.158 1.00 0.00 C ATOM 2006 C VAL A 635 5.789 4.538 9.419 1.00 0.00 C ATOM 2007 O VAL A 635 5.159 5.595 9.486 1.00 0.00 O ATOM 2008 CB VAL A 635 8.057 4.511 8.324 1.00 0.00 C ATOM 2009 CG1 VAL A 635 8.942 3.780 7.306 1.00 0.00 C ATOM 2010 CG2 VAL A 635 8.302 6.024 8.246 1.00 0.00 C ATOM 0 H VAL A 635 5.693 5.843 7.314 1.00 0.00 H new ATOM 0 HA VAL A 635 6.487 3.097 7.971 1.00 0.00 H new ATOM 0 HB VAL A 635 8.338 4.163 9.318 1.00 0.00 H new ATOM 0 HG11 VAL A 635 9.984 4.056 7.466 1.00 0.00 H new ATOM 0 HG12 VAL A 635 8.828 2.703 7.432 1.00 0.00 H new ATOM 0 HG13 VAL A 635 8.643 4.061 6.296 1.00 0.00 H new ATOM 0 HG21 VAL A 635 9.366 6.227 8.367 1.00 0.00 H new ATOM 0 HG22 VAL A 635 7.969 6.397 7.277 1.00 0.00 H new ATOM 0 HG23 VAL A 635 7.745 6.524 9.038 1.00 0.00 H new ATOM 2020 N SER A 636 5.896 3.697 10.441 1.00 0.00 N ATOM 2021 CA SER A 636 5.233 3.886 11.714 1.00 0.00 C ATOM 2022 C SER A 636 5.858 4.994 12.566 1.00 0.00 C ATOM 2023 O SER A 636 5.311 5.251 13.637 1.00 0.00 O ATOM 2024 CB SER A 636 5.196 2.550 12.471 1.00 0.00 C ATOM 2025 OG SER A 636 6.384 1.792 12.305 1.00 0.00 O ATOM 0 H SER A 636 6.460 2.848 10.401 1.00 0.00 H new ATOM 0 HA SER A 636 4.216 4.220 11.509 1.00 0.00 H new ATOM 0 HB2 SER A 636 5.039 2.743 13.532 1.00 0.00 H new ATOM 0 HB3 SER A 636 4.345 1.964 12.124 1.00 0.00 H new ATOM 0 HG SER A 636 6.310 0.954 12.807 1.00 0.00 H new ATOM 2031 N SER A 637 6.961 5.648 12.166 1.00 0.00 N ATOM 2032 CA SER A 637 7.566 6.690 12.997 1.00 0.00 C ATOM 2033 C SER A 637 8.060 7.888 12.176 1.00 0.00 C ATOM 2034 O SER A 637 8.642 7.699 11.108 1.00 0.00 O ATOM 2035 CB SER A 637 8.749 6.121 13.779 1.00 0.00 C ATOM 2036 OG SER A 637 8.422 4.970 14.545 1.00 0.00 O ATOM 0 H SER A 637 7.443 5.474 11.284 1.00 0.00 H new ATOM 0 HA SER A 637 6.785 7.037 13.673 1.00 0.00 H new ATOM 0 HB2 SER A 637 9.548 5.868 13.081 1.00 0.00 H new ATOM 0 HB3 SER A 637 9.139 6.892 14.444 1.00 0.00 H new ATOM 0 HG SER A 637 9.220 4.655 15.019 1.00 0.00 H new ATOM 2042 N PRO A 638 7.949 9.120 12.699 1.00 0.00 N ATOM 2043 CA PRO A 638 8.370 10.316 11.982 1.00 0.00 C ATOM 2044 C PRO A 638 9.892 10.408 11.808 1.00 0.00 C ATOM 2045 O PRO A 638 10.349 10.909 10.782 1.00 0.00 O ATOM 2046 CB PRO A 638 7.794 11.486 12.780 1.00 0.00 C ATOM 2047 CG PRO A 638 7.603 10.938 14.189 1.00 0.00 C ATOM 2048 CD PRO A 638 7.307 9.465 13.958 1.00 0.00 C ATOM 0 HA PRO A 638 7.999 10.311 10.957 1.00 0.00 H new ATOM 0 HB2 PRO A 638 8.472 12.340 12.776 1.00 0.00 H new ATOM 0 HB3 PRO A 638 6.849 11.827 12.356 1.00 0.00 H new ATOM 0 HG2 PRO A 638 8.496 11.077 14.799 1.00 0.00 H new ATOM 0 HG3 PRO A 638 6.783 11.436 14.706 1.00 0.00 H new ATOM 0 HD2 PRO A 638 7.696 8.856 14.774 1.00 0.00 H new ATOM 0 HD3 PRO A 638 6.233 9.286 13.910 1.00 0.00 H new ATOM 2056 N ASP A 639 10.695 9.899 12.745 1.00 0.00 N ATOM 2057 CA ASP A 639 12.163 9.883 12.620 1.00 0.00 C ATOM 2058 C ASP A 639 12.633 8.781 11.661 1.00 0.00 C ATOM 2059 O ASP A 639 13.766 8.780 11.172 1.00 0.00 O ATOM 2060 CB ASP A 639 12.810 9.683 14.003 1.00 0.00 C ATOM 2061 CG ASP A 639 12.982 10.985 14.796 1.00 0.00 C ATOM 2062 OD1 ASP A 639 12.578 12.067 14.322 1.00 0.00 O ATOM 2063 OD2 ASP A 639 13.429 10.942 15.962 1.00 0.00 O ATOM 0 H ASP A 639 10.352 9.486 13.612 1.00 0.00 H new ATOM 0 HA ASP A 639 12.473 10.844 12.209 1.00 0.00 H new ATOM 0 HB2 ASP A 639 12.199 8.992 14.584 1.00 0.00 H new ATOM 0 HB3 ASP A 639 13.786 9.215 13.874 1.00 0.00 H new ATOM 2068 N ALA A 640 11.751 7.840 11.340 1.00 0.00 N ATOM 2069 CA ALA A 640 11.998 6.825 10.331 1.00 0.00 C ATOM 2070 C ALA A 640 11.820 7.436 8.939 1.00 0.00 C ATOM 2071 O ALA A 640 12.578 7.070 8.049 1.00 0.00 O ATOM 2072 CB ALA A 640 11.151 5.569 10.569 1.00 0.00 C ATOM 0 H ALA A 640 10.834 7.763 11.781 1.00 0.00 H new ATOM 0 HA ALA A 640 13.030 6.482 10.404 1.00 0.00 H new ATOM 0 HB1 ALA A 640 11.365 4.834 9.793 1.00 0.00 H new ATOM 0 HB2 ALA A 640 11.392 5.147 11.545 1.00 0.00 H new ATOM 0 HB3 ALA A 640 10.094 5.832 10.538 1.00 0.00 H new ATOM 2078 N VAL A 641 10.939 8.435 8.763 1.00 0.00 N ATOM 2079 CA VAL A 641 10.817 9.191 7.507 1.00 0.00 C ATOM 2080 C VAL A 641 12.148 9.881 7.165 1.00 0.00 C ATOM 2081 O VAL A 641 12.472 10.099 5.991 1.00 0.00 O ATOM 2082 CB VAL A 641 9.644 10.195 7.568 1.00 0.00 C ATOM 2083 CG1 VAL A 641 9.456 10.913 6.221 1.00 0.00 C ATOM 2084 CG2 VAL A 641 8.310 9.519 7.914 1.00 0.00 C ATOM 0 H VAL A 641 10.291 8.741 9.489 1.00 0.00 H new ATOM 0 HA VAL A 641 10.590 8.491 6.703 1.00 0.00 H new ATOM 0 HB VAL A 641 9.908 10.904 8.353 1.00 0.00 H new ATOM 0 HG11 VAL A 641 8.624 11.613 6.295 1.00 0.00 H new ATOM 0 HG12 VAL A 641 10.366 11.457 5.968 1.00 0.00 H new ATOM 0 HG13 VAL A 641 9.245 10.179 5.444 1.00 0.00 H new ATOM 0 HG21 VAL A 641 7.519 10.269 7.944 1.00 0.00 H new ATOM 0 HG22 VAL A 641 8.073 8.772 7.156 1.00 0.00 H new ATOM 0 HG23 VAL A 641 8.389 9.036 8.888 1.00 0.00 H new ATOM 2094 N THR A 642 12.959 10.185 8.173 1.00 0.00 N ATOM 2095 CA THR A 642 14.315 10.653 8.004 1.00 0.00 C ATOM 2096 C THR A 642 15.225 9.455 7.694 1.00 0.00 C ATOM 2097 O THR A 642 15.854 9.435 6.637 1.00 0.00 O ATOM 2098 CB THR A 642 14.667 11.436 9.276 1.00 0.00 C ATOM 2099 OG1 THR A 642 13.844 12.590 9.313 1.00 0.00 O ATOM 2100 CG2 THR A 642 16.137 11.840 9.313 1.00 0.00 C ATOM 0 H THR A 642 12.677 10.108 9.150 1.00 0.00 H new ATOM 0 HA THR A 642 14.448 11.328 7.158 1.00 0.00 H new ATOM 0 HB THR A 642 14.495 10.801 10.145 1.00 0.00 H new ATOM 0 HG1 THR A 642 14.046 13.110 10.118 1.00 0.00 H new ATOM 0 HG21 THR A 642 16.340 12.392 10.231 1.00 0.00 H new ATOM 0 HG22 THR A 642 16.761 10.947 9.281 1.00 0.00 H new ATOM 0 HG23 THR A 642 16.363 12.471 8.453 1.00 0.00 H new ATOM 2108 N THR A 643 15.266 8.454 8.578 1.00 0.00 N ATOM 2109 CA THR A 643 16.221 7.346 8.533 1.00 0.00 C ATOM 2110 C THR A 643 16.144 6.546 7.222 1.00 0.00 C ATOM 2111 O THR A 643 17.160 6.269 6.593 1.00 0.00 O ATOM 2112 CB THR A 643 15.986 6.436 9.754 1.00 0.00 C ATOM 2113 OG1 THR A 643 15.966 7.204 10.951 1.00 0.00 O ATOM 2114 CG2 THR A 643 17.053 5.345 9.888 1.00 0.00 C ATOM 0 H THR A 643 14.619 8.391 9.364 1.00 0.00 H new ATOM 0 HA THR A 643 17.228 7.762 8.568 1.00 0.00 H new ATOM 0 HB THR A 643 15.022 5.953 9.596 1.00 0.00 H new ATOM 0 HG1 THR A 643 15.088 7.627 11.053 1.00 0.00 H new ATOM 0 HG21 THR A 643 16.839 4.733 10.764 1.00 0.00 H new ATOM 0 HG22 THR A 643 17.046 4.718 8.997 1.00 0.00 H new ATOM 0 HG23 THR A 643 18.034 5.807 9.999 1.00 0.00 H new ATOM 2122 N TYR A 644 14.939 6.169 6.795 1.00 0.00 N ATOM 2123 CA TYR A 644 14.682 5.365 5.609 1.00 0.00 C ATOM 2124 C TYR A 644 15.199 6.070 4.354 1.00 0.00 C ATOM 2125 O TYR A 644 15.765 5.434 3.465 1.00 0.00 O ATOM 2126 CB TYR A 644 13.170 5.178 5.547 1.00 0.00 C ATOM 2127 CG TYR A 644 12.622 4.399 4.372 1.00 0.00 C ATOM 2128 CD1 TYR A 644 12.483 3.010 4.476 1.00 0.00 C ATOM 2129 CD2 TYR A 644 12.207 5.051 3.198 1.00 0.00 C ATOM 2130 CE1 TYR A 644 12.031 2.255 3.386 1.00 0.00 C ATOM 2131 CE2 TYR A 644 11.708 4.312 2.113 1.00 0.00 C ATOM 2132 CZ TYR A 644 11.660 2.901 2.186 1.00 0.00 C ATOM 2133 OH TYR A 644 11.259 2.166 1.114 1.00 0.00 O ATOM 0 H TYR A 644 14.084 6.427 7.288 1.00 0.00 H new ATOM 0 HA TYR A 644 15.196 4.405 5.659 1.00 0.00 H new ATOM 0 HB2 TYR A 644 12.853 4.678 6.462 1.00 0.00 H new ATOM 0 HB3 TYR A 644 12.706 6.165 5.545 1.00 0.00 H new ATOM 0 HD1 TYR A 644 12.726 2.516 5.405 1.00 0.00 H new ATOM 0 HD2 TYR A 644 12.272 6.127 3.130 1.00 0.00 H new ATOM 0 HE1 TYR A 644 11.966 1.180 3.463 1.00 0.00 H new ATOM 0 HE2 TYR A 644 11.362 4.820 1.225 1.00 0.00 H new ATOM 0 HH TYR A 644 11.038 2.765 0.371 1.00 0.00 H new ATOM 2143 N ASN A 645 15.043 7.398 4.296 1.00 0.00 N ATOM 2144 CA ASN A 645 15.576 8.227 3.231 1.00 0.00 C ATOM 2145 C ASN A 645 17.088 8.058 3.114 1.00 0.00 C ATOM 2146 O ASN A 645 17.614 8.117 2.007 1.00 0.00 O ATOM 2147 CB ASN A 645 15.248 9.702 3.518 1.00 0.00 C ATOM 2148 CG ASN A 645 14.582 10.321 2.315 1.00 0.00 C ATOM 2149 OD1 ASN A 645 15.228 10.588 1.307 1.00 0.00 O ATOM 2150 ND2 ASN A 645 13.279 10.517 2.402 1.00 0.00 N ATOM 0 H ASN A 645 14.533 7.926 5.004 1.00 0.00 H new ATOM 0 HA ASN A 645 15.119 7.918 2.291 1.00 0.00 H new ATOM 0 HB2 ASN A 645 14.593 9.776 4.386 1.00 0.00 H new ATOM 0 HB3 ASN A 645 16.161 10.247 3.760 1.00 0.00 H new ATOM 0 HD21 ASN A 645 12.768 10.906 1.610 1.00 0.00 H new ATOM 0 HD22 ASN A 645 12.784 10.280 3.262 1.00 0.00 H new ATOM 2157 N GLY A 646 17.783 7.813 4.225 1.00 0.00 N ATOM 2158 CA GLY A 646 19.198 7.491 4.267 1.00 0.00 C ATOM 2159 C GLY A 646 19.523 6.295 3.386 1.00 0.00 C ATOM 2160 O GLY A 646 20.351 6.408 2.477 1.00 0.00 O ATOM 0 H GLY A 646 17.355 7.836 5.151 1.00 0.00 H new ATOM 0 HA2 GLY A 646 19.779 8.354 3.940 1.00 0.00 H new ATOM 0 HA3 GLY A 646 19.494 7.279 5.294 1.00 0.00 H new ATOM 2164 N TYR A 647 18.844 5.165 3.596 1.00 0.00 N ATOM 2165 CA TYR A 647 19.067 3.952 2.812 1.00 0.00 C ATOM 2166 C TYR A 647 18.770 4.202 1.333 1.00 0.00 C ATOM 2167 O TYR A 647 19.480 3.694 0.464 1.00 0.00 O ATOM 2168 CB TYR A 647 18.201 2.796 3.341 1.00 0.00 C ATOM 2169 CG TYR A 647 18.416 2.438 4.803 1.00 0.00 C ATOM 2170 CD1 TYR A 647 19.709 2.144 5.277 1.00 0.00 C ATOM 2171 CD2 TYR A 647 17.325 2.405 5.694 1.00 0.00 C ATOM 2172 CE1 TYR A 647 19.917 1.837 6.631 1.00 0.00 C ATOM 2173 CE2 TYR A 647 17.530 2.128 7.058 1.00 0.00 C ATOM 2174 CZ TYR A 647 18.830 1.835 7.529 1.00 0.00 C ATOM 2175 OH TYR A 647 19.048 1.544 8.839 1.00 0.00 O ATOM 0 H TYR A 647 18.126 5.067 4.313 1.00 0.00 H new ATOM 0 HA TYR A 647 20.116 3.673 2.912 1.00 0.00 H new ATOM 0 HB2 TYR A 647 17.152 3.055 3.198 1.00 0.00 H new ATOM 0 HB3 TYR A 647 18.396 1.911 2.735 1.00 0.00 H new ATOM 0 HD1 TYR A 647 20.546 2.155 4.595 1.00 0.00 H new ATOM 0 HD2 TYR A 647 16.326 2.593 5.328 1.00 0.00 H new ATOM 0 HE1 TYR A 647 20.910 1.602 6.985 1.00 0.00 H new ATOM 0 HE2 TYR A 647 16.696 2.139 7.744 1.00 0.00 H new ATOM 0 HH TYR A 647 18.200 1.585 9.329 1.00 0.00 H new ATOM 2185 N LEU A 648 17.737 5.003 1.042 1.00 0.00 N ATOM 2186 CA LEU A 648 17.379 5.330 -0.331 1.00 0.00 C ATOM 2187 C LEU A 648 18.487 6.154 -0.982 1.00 0.00 C ATOM 2188 O LEU A 648 18.949 5.799 -2.060 1.00 0.00 O ATOM 2189 CB LEU A 648 16.011 6.023 -0.425 1.00 0.00 C ATOM 2190 CG LEU A 648 14.783 5.182 0.004 1.00 0.00 C ATOM 2191 CD1 LEU A 648 13.568 5.550 -0.852 1.00 0.00 C ATOM 2192 CD2 LEU A 648 14.930 3.663 -0.134 1.00 0.00 C ATOM 0 H LEU A 648 17.137 5.434 1.746 1.00 0.00 H new ATOM 0 HA LEU A 648 17.280 4.397 -0.885 1.00 0.00 H new ATOM 0 HB2 LEU A 648 16.041 6.923 0.190 1.00 0.00 H new ATOM 0 HB3 LEU A 648 15.861 6.346 -1.455 1.00 0.00 H new ATOM 0 HG LEU A 648 14.674 5.420 1.062 1.00 0.00 H new ATOM 0 HD11 LEU A 648 12.710 4.953 -0.542 1.00 0.00 H new ATOM 0 HD12 LEU A 648 13.339 6.608 -0.723 1.00 0.00 H new ATOM 0 HD13 LEU A 648 13.788 5.351 -1.901 1.00 0.00 H new ATOM 0 HD21 LEU A 648 14.011 3.177 0.195 1.00 0.00 H new ATOM 0 HD22 LEU A 648 15.122 3.409 -1.177 1.00 0.00 H new ATOM 0 HD23 LEU A 648 15.762 3.321 0.482 1.00 0.00 H new ATOM 2204 N THR A 649 18.944 7.213 -0.321 1.00 0.00 N ATOM 2205 CA THR A 649 20.006 8.090 -0.808 1.00 0.00 C ATOM 2206 C THR A 649 21.300 7.295 -1.034 1.00 0.00 C ATOM 2207 O THR A 649 22.016 7.520 -2.009 1.00 0.00 O ATOM 2208 CB THR A 649 20.221 9.223 0.217 1.00 0.00 C ATOM 2209 OG1 THR A 649 18.987 9.825 0.565 1.00 0.00 O ATOM 2210 CG2 THR A 649 21.132 10.341 -0.294 1.00 0.00 C ATOM 0 H THR A 649 18.578 7.493 0.589 1.00 0.00 H new ATOM 0 HA THR A 649 19.718 8.522 -1.766 1.00 0.00 H new ATOM 0 HB THR A 649 20.694 8.743 1.074 1.00 0.00 H new ATOM 0 HG1 THR A 649 18.643 9.415 1.386 1.00 0.00 H new ATOM 0 HG21 THR A 649 21.240 11.104 0.477 1.00 0.00 H new ATOM 0 HG22 THR A 649 22.112 9.930 -0.537 1.00 0.00 H new ATOM 0 HG23 THR A 649 20.695 10.787 -1.187 1.00 0.00 H new ATOM 2218 N SER A 650 21.603 6.355 -0.139 1.00 0.00 N ATOM 2219 CA SER A 650 22.875 5.655 -0.109 1.00 0.00 C ATOM 2220 C SER A 650 23.129 4.792 -1.350 1.00 0.00 C ATOM 2221 O SER A 650 24.285 4.672 -1.770 1.00 0.00 O ATOM 2222 CB SER A 650 22.894 4.763 1.131 1.00 0.00 C ATOM 2223 OG SER A 650 22.842 5.517 2.327 1.00 0.00 O ATOM 0 H SER A 650 20.958 6.058 0.594 1.00 0.00 H new ATOM 0 HA SER A 650 23.664 6.407 -0.088 1.00 0.00 H new ATOM 0 HB2 SER A 650 22.047 4.077 1.097 1.00 0.00 H new ATOM 0 HB3 SER A 650 23.798 4.154 1.126 1.00 0.00 H new ATOM 0 HG SER A 650 21.989 5.997 2.374 1.00 0.00 H new ATOM 2229 N SER A 651 22.100 4.129 -1.882 1.00 0.00 N ATOM 2230 CA SER A 651 22.264 2.860 -2.583 1.00 0.00 C ATOM 2231 C SER A 651 21.564 2.898 -3.936 1.00 0.00 C ATOM 2232 O SER A 651 20.971 1.870 -4.331 1.00 0.00 O ATOM 2233 CB SER A 651 21.751 1.769 -1.625 1.00 0.00 C ATOM 2234 OG SER A 651 21.986 0.484 -2.157 1.00 0.00 O ATOM 0 H SER A 651 21.135 4.457 -1.838 1.00 0.00 H new ATOM 0 HA SER A 651 23.304 2.646 -2.830 1.00 0.00 H new ATOM 0 HB2 SER A 651 22.247 1.864 -0.659 1.00 0.00 H new ATOM 0 HB3 SER A 651 20.684 1.905 -1.450 1.00 0.00 H new ATOM 0 HG SER A 651 21.742 0.473 -3.106 1.00 0.00 H new TER 2240 SER A 651