USER MOD reduce.3.24.130724 H: found=0, std=0, add=1048, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 1049 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 571 TYR OH : rot -21:sc= 0.378 USER MOD Set 1.2: A 609 ASN : amide:sc= -12.2! C(o=-12!,f=-16!) USER MOD Set 2.1: A 504 THR OG1 : rot -125:sc= 0.423 USER MOD Set 2.2: A 532 ASN : amide:sc= -0.761 K(o=-0.34,f=-1.8!) USER MOD Set 3.1: A 516 SER OG : rot -101:sc= 1.46 USER MOD Set 3.2: A 544 ASN :FLIP amide:sc= 0.225 F(o=-0.19,f=1.7) USER MOD Single : A 502 MET CE :methyl 143:sc= -0.218 (180deg=-1.01) USER MOD Single : A 506 MET CE :methyl 139:sc= -0.24 (180deg=-2.11) USER MOD Single : A 510 LYS NZ :NH3+ 169:sc= -0.064 (180deg=-0.257) USER MOD Single : A 513 ASN : amide:sc= 0 X(o=0,f=-0.41) USER MOD Single : A 517 MET CE :methyl -168:sc= -1.41 (180deg=-1.56) USER MOD Single : A 523 GLN : amide:sc= -0.0641 X(o=-0.064,f=-0.037) USER MOD Single : A 524 SER OG : rot 81:sc= 1.25 USER MOD Single : A 528 THR OG1 : rot 180:sc= 0 USER MOD Single : A 530 THR OG1 : rot -150:sc= 0 USER MOD Single : A 537 TYR OH : rot 180:sc= 0 USER MOD Single : A 538 THR OG1 : rot 105:sc= 1.52 USER MOD Single : A 543 THR OG1 : rot 180:sc= 0 USER MOD Single : A 556 SER OG : rot -66:sc= 2.31 USER MOD Single : A 563 LYS NZ :NH3+ -163:sc= -0.0253 (180deg=-0.233) USER MOD Single : A 567 ASN : amide:sc= -0.412 K(o=-0.41,f=-1.9) USER MOD Single : A 570 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 572 HIS :FLIP no HD1:sc= -3.93 F(o=-6.8!,f=-3.9) USER MOD Single : A 580 SER OG : rot 104:sc= 1.27 USER MOD Single : A 590 LYS NZ :NH3+ 169:sc=-0.00865 (180deg=-0.126) USER MOD Single : A 591 SER OG : rot -67:sc= -0.907 USER MOD Single : A 593 GLN : amide:sc= -1.25! C(o=-1.2!,f=-3.3!) USER MOD Single : A 596 LYS NZ :NH3+ -162:sc= 0.0782 (180deg=-0.308!) USER MOD Single : A 600 SER OG : rot 180:sc= 0 USER MOD Single : A 602 LYS NZ :NH3+ 169:sc=-0.00333 (180deg=-0.0957) USER MOD Single : A 603 ASN : amide:sc= -0.0206 K(o=-0.021,f=-1.1) USER MOD Single : A 604 ASN : amide:sc= -0.192 K(o=-0.19,f=-1.3) USER MOD Single : A 607 SER OG : rot 180:sc= 0 USER MOD Single : A 610 LYS NZ :NH3+ 146:sc= 0.022 (180deg=-1.21!) USER MOD Single : A 619 MET CE :methyl 157:sc= -0.249 (180deg=-1.15) USER MOD Single : A 621 THR OG1 : rot -37:sc= 0.0999 USER MOD Single : A 622 ASN : amide:sc= -3.06! C(o=-3.1!,f=-16!) USER MOD Single : A 626 HIS : no HD1:sc= -0.0616 K(o=-0.062,f=-2.8!) USER MOD Single : A 629 THR OG1 : rot 180:sc= 0.0407 USER MOD Single : A 630 ASN : amide:sc= 1.04 K(o=1,f=-1.6!) USER MOD Single : A 633 GLN :FLIP amide:sc= 0 F(o=-0.84,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 500 -3.994 -17.673 11.518 1.00 0.00 N ATOM 2 CA ALA A 500 -2.799 -18.432 11.952 1.00 0.00 C ATOM 3 C ALA A 500 -1.539 -17.572 11.885 1.00 0.00 C ATOM 4 O ALA A 500 -0.703 -17.615 12.787 1.00 0.00 O ATOM 5 CB ALA A 500 -2.626 -19.682 11.103 1.00 0.00 C ATOM 0 HA ALA A 500 -2.952 -18.727 12.990 1.00 0.00 H new ATOM 0 HB1 ALA A 500 -1.743 -20.228 11.435 1.00 0.00 H new ATOM 0 HB2 ALA A 500 -3.506 -20.317 11.207 1.00 0.00 H new ATOM 0 HB3 ALA A 500 -2.505 -19.398 10.058 1.00 0.00 H new ATOM 13 N GLY A 501 -1.402 -16.795 10.812 1.00 0.00 N ATOM 14 CA GLY A 501 -0.223 -15.959 10.652 1.00 0.00 C ATOM 15 C GLY A 501 0.849 -16.643 9.829 1.00 0.00 C ATOM 16 O GLY A 501 1.889 -17.045 10.358 1.00 0.00 O ATOM 0 H GLY A 501 -2.082 -16.729 10.055 1.00 0.00 H new ATOM 0 HA2 GLY A 501 -0.505 -15.022 10.173 1.00 0.00 H new ATOM 0 HA3 GLY A 501 0.179 -15.707 11.633 1.00 0.00 H new ATOM 20 N MET A 502 0.592 -16.771 8.534 1.00 0.00 N ATOM 21 CA MET A 502 1.488 -17.483 7.624 1.00 0.00 C ATOM 22 C MET A 502 0.958 -17.401 6.197 1.00 0.00 C ATOM 23 O MET A 502 1.187 -18.297 5.379 1.00 0.00 O ATOM 24 CB MET A 502 1.635 -18.954 8.043 1.00 0.00 C ATOM 25 CG MET A 502 0.318 -19.711 8.123 1.00 0.00 C ATOM 26 SD MET A 502 0.527 -21.403 8.715 1.00 0.00 S ATOM 27 CE MET A 502 1.260 -21.111 10.326 1.00 0.00 C ATOM 0 H MET A 502 -0.239 -16.387 8.083 1.00 0.00 H new ATOM 0 HA MET A 502 2.469 -17.010 7.671 1.00 0.00 H new ATOM 0 HB2 MET A 502 2.290 -19.459 7.333 1.00 0.00 H new ATOM 0 HB3 MET A 502 2.126 -18.996 9.015 1.00 0.00 H new ATOM 0 HG2 MET A 502 -0.363 -19.179 8.787 1.00 0.00 H new ATOM 0 HG3 MET A 502 -0.147 -19.729 7.137 1.00 0.00 H new ATOM 0 HE1 MET A 502 0.877 -21.842 11.038 1.00 0.00 H new ATOM 0 HE2 MET A 502 2.344 -21.206 10.255 1.00 0.00 H new ATOM 0 HE3 MET A 502 1.006 -20.107 10.665 1.00 0.00 H new ATOM 37 N GLY A 503 0.269 -16.310 5.898 1.00 0.00 N ATOM 38 CA GLY A 503 -0.371 -16.163 4.607 1.00 0.00 C ATOM 39 C GLY A 503 0.342 -15.184 3.706 1.00 0.00 C ATOM 40 O GLY A 503 1.561 -15.028 3.769 1.00 0.00 O ATOM 0 H GLY A 503 0.141 -15.520 6.530 1.00 0.00 H new ATOM 0 HA2 GLY A 503 -0.415 -17.135 4.116 1.00 0.00 H new ATOM 0 HA3 GLY A 503 -1.399 -15.833 4.752 1.00 0.00 H new ATOM 44 N THR A 504 -0.432 -14.519 2.874 1.00 0.00 N ATOM 45 CA THR A 504 0.087 -13.552 1.932 1.00 0.00 C ATOM 46 C THR A 504 0.057 -12.155 2.532 1.00 0.00 C ATOM 47 O THR A 504 -0.166 -11.993 3.730 1.00 0.00 O ATOM 48 CB THR A 504 -0.757 -13.545 0.653 1.00 0.00 C ATOM 49 OG1 THR A 504 -2.099 -13.154 0.982 1.00 0.00 O ATOM 50 CG2 THR A 504 -0.767 -14.918 -0.011 1.00 0.00 C ATOM 0 H THR A 504 -1.444 -14.635 2.833 1.00 0.00 H new ATOM 0 HA THR A 504 1.114 -13.833 1.699 1.00 0.00 H new ATOM 0 HB THR A 504 -0.320 -12.837 -0.051 1.00 0.00 H new ATOM 0 HG1 THR A 504 -2.726 -13.838 0.666 1.00 0.00 H new ATOM 0 HG21 THR A 504 -1.374 -14.880 -0.916 1.00 0.00 H new ATOM 0 HG22 THR A 504 0.252 -15.204 -0.270 1.00 0.00 H new ATOM 0 HG23 THR A 504 -1.186 -15.652 0.677 1.00 0.00 H new ATOM 58 N VAL A 505 0.315 -11.160 1.690 1.00 0.00 N ATOM 59 CA VAL A 505 0.110 -9.757 2.046 1.00 0.00 C ATOM 60 C VAL A 505 -1.225 -9.562 2.772 1.00 0.00 C ATOM 61 O VAL A 505 -1.303 -8.829 3.753 1.00 0.00 O ATOM 62 CB VAL A 505 0.133 -8.848 0.796 1.00 0.00 C ATOM 63 CG1 VAL A 505 -0.182 -7.407 1.161 1.00 0.00 C ATOM 64 CG2 VAL A 505 1.478 -8.927 0.091 1.00 0.00 C ATOM 0 H VAL A 505 0.671 -11.300 0.744 1.00 0.00 H new ATOM 0 HA VAL A 505 0.930 -9.477 2.708 1.00 0.00 H new ATOM 0 HB VAL A 505 -0.638 -9.207 0.115 1.00 0.00 H new ATOM 0 HG11 VAL A 505 -0.159 -6.791 0.262 1.00 0.00 H new ATOM 0 HG12 VAL A 505 -1.173 -7.354 1.612 1.00 0.00 H new ATOM 0 HG13 VAL A 505 0.560 -7.041 1.871 1.00 0.00 H new ATOM 0 HG21 VAL A 505 1.468 -8.278 -0.785 1.00 0.00 H new ATOM 0 HG22 VAL A 505 2.265 -8.605 0.772 1.00 0.00 H new ATOM 0 HG23 VAL A 505 1.666 -9.955 -0.220 1.00 0.00 H new ATOM 74 N MET A 506 -2.270 -10.239 2.298 1.00 0.00 N ATOM 75 CA MET A 506 -3.573 -10.167 2.912 1.00 0.00 C ATOM 76 C MET A 506 -3.526 -10.646 4.365 1.00 0.00 C ATOM 77 O MET A 506 -4.068 -9.994 5.253 1.00 0.00 O ATOM 78 CB MET A 506 -4.527 -11.014 2.084 1.00 0.00 C ATOM 79 CG MET A 506 -5.866 -11.255 2.732 1.00 0.00 C ATOM 80 SD MET A 506 -6.835 -9.752 2.974 1.00 0.00 S ATOM 81 CE MET A 506 -7.097 -9.234 1.278 1.00 0.00 C ATOM 0 H MET A 506 -2.226 -10.847 1.480 1.00 0.00 H new ATOM 0 HA MET A 506 -3.918 -9.133 2.935 1.00 0.00 H new ATOM 0 HB2 MET A 506 -4.685 -10.527 1.122 1.00 0.00 H new ATOM 0 HB3 MET A 506 -4.057 -11.976 1.881 1.00 0.00 H new ATOM 0 HG2 MET A 506 -6.438 -11.950 2.117 1.00 0.00 H new ATOM 0 HG3 MET A 506 -5.711 -11.736 3.698 1.00 0.00 H new ATOM 0 HE1 MET A 506 -8.120 -8.877 1.161 1.00 0.00 H new ATOM 0 HE2 MET A 506 -6.402 -8.431 1.031 1.00 0.00 H new ATOM 0 HE3 MET A 506 -6.928 -10.078 0.610 1.00 0.00 H new ATOM 91 N ASP A 507 -2.863 -11.780 4.606 1.00 0.00 N ATOM 92 CA ASP A 507 -2.685 -12.295 5.961 1.00 0.00 C ATOM 93 C ASP A 507 -1.884 -11.311 6.802 1.00 0.00 C ATOM 94 O ASP A 507 -2.212 -11.055 7.962 1.00 0.00 O ATOM 95 CB ASP A 507 -1.958 -13.633 5.906 1.00 0.00 C ATOM 96 CG ASP A 507 -1.855 -14.320 7.253 1.00 0.00 C ATOM 97 OD1 ASP A 507 -2.889 -14.795 7.763 1.00 0.00 O ATOM 98 OD2 ASP A 507 -0.727 -14.426 7.783 1.00 0.00 O1- ATOM 0 H ASP A 507 -2.441 -12.357 3.878 1.00 0.00 H new ATOM 0 HA ASP A 507 -3.665 -12.430 6.418 1.00 0.00 H new ATOM 0 HB2 ASP A 507 -2.477 -14.292 5.210 1.00 0.00 H new ATOM 0 HB3 ASP A 507 -0.955 -13.477 5.509 1.00 0.00 H new ATOM 103 N VAL A 508 -0.837 -10.754 6.196 1.00 0.00 N ATOM 104 CA VAL A 508 -0.011 -9.734 6.851 1.00 0.00 C ATOM 105 C VAL A 508 -0.865 -8.589 7.383 1.00 0.00 C ATOM 106 O VAL A 508 -0.716 -8.162 8.529 1.00 0.00 O ATOM 107 CB VAL A 508 1.066 -9.171 5.893 1.00 0.00 C ATOM 108 CG1 VAL A 508 1.869 -8.062 6.562 1.00 0.00 C ATOM 109 CG2 VAL A 508 1.991 -10.282 5.424 1.00 0.00 C ATOM 0 H VAL A 508 -0.538 -10.991 5.250 1.00 0.00 H new ATOM 0 HA VAL A 508 0.488 -10.224 7.687 1.00 0.00 H new ATOM 0 HB VAL A 508 0.558 -8.747 5.027 1.00 0.00 H new ATOM 0 HG11 VAL A 508 2.618 -7.685 5.866 1.00 0.00 H new ATOM 0 HG12 VAL A 508 1.200 -7.251 6.849 1.00 0.00 H new ATOM 0 HG13 VAL A 508 2.364 -8.456 7.450 1.00 0.00 H new ATOM 0 HG21 VAL A 508 2.743 -9.870 4.751 1.00 0.00 H new ATOM 0 HG22 VAL A 508 2.483 -10.733 6.285 1.00 0.00 H new ATOM 0 HG23 VAL A 508 1.411 -11.041 4.899 1.00 0.00 H new ATOM 119 N LEU A 509 -1.762 -8.115 6.546 1.00 0.00 N ATOM 120 CA LEU A 509 -2.621 -6.995 6.873 1.00 0.00 C ATOM 121 C LEU A 509 -3.741 -7.392 7.826 1.00 0.00 C ATOM 122 O LEU A 509 -4.109 -6.624 8.712 1.00 0.00 O ATOM 123 CB LEU A 509 -3.200 -6.427 5.582 1.00 0.00 C ATOM 124 CG LEU A 509 -2.260 -5.514 4.785 1.00 0.00 C ATOM 125 CD1 LEU A 509 -0.824 -6.028 4.768 1.00 0.00 C ATOM 126 CD2 LEU A 509 -2.774 -5.364 3.366 1.00 0.00 C ATOM 0 H LEU A 509 -1.918 -8.497 5.613 1.00 0.00 H new ATOM 0 HA LEU A 509 -2.024 -6.239 7.384 1.00 0.00 H new ATOM 0 HB2 LEU A 509 -3.501 -7.257 4.943 1.00 0.00 H new ATOM 0 HB3 LEU A 509 -4.103 -5.867 5.824 1.00 0.00 H new ATOM 0 HG LEU A 509 -2.248 -4.544 5.282 1.00 0.00 H new ATOM 0 HD11 LEU A 509 -0.200 -5.346 4.191 1.00 0.00 H new ATOM 0 HD12 LEU A 509 -0.447 -6.089 5.789 1.00 0.00 H new ATOM 0 HD13 LEU A 509 -0.797 -7.018 4.312 1.00 0.00 H new ATOM 0 HD21 LEU A 509 -2.104 -4.715 2.803 1.00 0.00 H new ATOM 0 HD22 LEU A 509 -2.816 -6.343 2.889 1.00 0.00 H new ATOM 0 HD23 LEU A 509 -3.772 -4.926 3.385 1.00 0.00 H new ATOM 138 N LYS A 510 -4.273 -8.592 7.644 1.00 0.00 N ATOM 139 CA LYS A 510 -5.396 -9.062 8.446 1.00 0.00 C ATOM 140 C LYS A 510 -4.957 -9.372 9.874 1.00 0.00 C ATOM 141 O LYS A 510 -5.742 -9.255 10.819 1.00 0.00 O ATOM 142 CB LYS A 510 -6.027 -10.301 7.802 1.00 0.00 C ATOM 143 CG LYS A 510 -7.260 -10.813 8.528 1.00 0.00 C ATOM 144 CD LYS A 510 -7.944 -11.927 7.752 1.00 0.00 C ATOM 145 CE LYS A 510 -9.137 -12.482 8.513 1.00 0.00 C ATOM 146 NZ LYS A 510 -10.121 -11.421 8.863 1.00 0.00 N1+ ATOM 0 H LYS A 510 -3.945 -9.260 6.947 1.00 0.00 H new ATOM 0 HA LYS A 510 -6.141 -8.267 8.486 1.00 0.00 H new ATOM 0 HB2 LYS A 510 -6.295 -10.066 6.772 1.00 0.00 H new ATOM 0 HB3 LYS A 510 -5.283 -11.097 7.764 1.00 0.00 H new ATOM 0 HG2 LYS A 510 -6.976 -11.178 9.515 1.00 0.00 H new ATOM 0 HG3 LYS A 510 -7.960 -9.992 8.680 1.00 0.00 H new ATOM 0 HD2 LYS A 510 -8.272 -11.549 6.784 1.00 0.00 H new ATOM 0 HD3 LYS A 510 -7.231 -12.728 7.557 1.00 0.00 H new ATOM 0 HE2 LYS A 510 -9.628 -13.246 7.910 1.00 0.00 H new ATOM 0 HE3 LYS A 510 -8.790 -12.969 9.424 1.00 0.00 H new ATOM 0 HZ1 LYS A 510 -10.997 -11.861 9.211 1.00 0.00 H new ATOM 0 HZ2 LYS A 510 -9.723 -10.809 9.604 1.00 0.00 H new ATOM 0 HZ3 LYS A 510 -10.332 -10.851 8.019 1.00 0.00 H new ATOM 160 N GLY A 511 -3.707 -9.773 10.030 1.00 0.00 N ATOM 161 CA GLY A 511 -3.187 -10.072 11.343 1.00 0.00 C ATOM 162 C GLY A 511 -2.680 -8.841 12.066 1.00 0.00 C ATOM 163 O GLY A 511 -2.395 -8.888 13.268 1.00 0.00 O ATOM 0 H GLY A 511 -3.042 -9.897 9.267 1.00 0.00 H new ATOM 0 HA2 GLY A 511 -3.968 -10.543 11.940 1.00 0.00 H new ATOM 0 HA3 GLY A 511 -2.376 -10.795 11.252 1.00 0.00 H new ATOM 167 N ASP A 512 -2.584 -7.734 11.345 1.00 0.00 N ATOM 168 CA ASP A 512 -2.035 -6.509 11.908 1.00 0.00 C ATOM 169 C ASP A 512 -3.152 -5.565 12.343 1.00 0.00 C ATOM 170 O ASP A 512 -4.115 -5.335 11.611 1.00 0.00 O ATOM 171 CB ASP A 512 -1.124 -5.814 10.895 1.00 0.00 C ATOM 172 CG ASP A 512 -0.251 -4.742 11.526 1.00 0.00 C ATOM 173 OD1 ASP A 512 -0.669 -4.126 12.528 1.00 0.00 O1- ATOM 174 OD2 ASP A 512 0.868 -4.514 11.024 1.00 0.00 O ATOM 0 H ASP A 512 -2.878 -7.658 10.371 1.00 0.00 H new ATOM 0 HA ASP A 512 -1.445 -6.775 12.785 1.00 0.00 H new ATOM 0 HB2 ASP A 512 -0.488 -6.558 10.415 1.00 0.00 H new ATOM 0 HB3 ASP A 512 -1.735 -5.364 10.112 1.00 0.00 H new ATOM 179 N ASN A 513 -3.002 -5.013 13.535 1.00 0.00 N ATOM 180 CA ASN A 513 -3.977 -4.095 14.108 1.00 0.00 C ATOM 181 C ASN A 513 -4.044 -2.788 13.313 1.00 0.00 C ATOM 182 O ASN A 513 -5.118 -2.212 13.134 1.00 0.00 O ATOM 183 CB ASN A 513 -3.594 -3.803 15.562 1.00 0.00 C ATOM 184 CG ASN A 513 -4.594 -2.918 16.281 1.00 0.00 C ATOM 185 OD1 ASN A 513 -5.798 -2.985 16.034 1.00 0.00 O ATOM 186 ND2 ASN A 513 -4.095 -2.078 17.178 1.00 0.00 N ATOM 0 H ASN A 513 -2.197 -5.189 14.137 1.00 0.00 H new ATOM 0 HA ASN A 513 -4.962 -4.561 14.067 1.00 0.00 H new ATOM 0 HB2 ASN A 513 -3.500 -4.745 16.102 1.00 0.00 H new ATOM 0 HB3 ASN A 513 -2.615 -3.324 15.583 1.00 0.00 H new ATOM 0 HD21 ASN A 513 -4.716 -1.455 17.694 1.00 0.00 H new ATOM 0 HD22 ASN A 513 -3.090 -2.055 17.352 1.00 0.00 H new ATOM 193 N ARG A 514 -2.900 -2.350 12.796 1.00 0.00 N ATOM 194 CA ARG A 514 -2.808 -1.044 12.144 1.00 0.00 C ATOM 195 C ARG A 514 -3.271 -1.117 10.692 1.00 0.00 C ATOM 196 O ARG A 514 -3.419 -0.089 10.030 1.00 0.00 O ATOM 197 CB ARG A 514 -1.374 -0.501 12.225 1.00 0.00 C ATOM 198 CG ARG A 514 -0.343 -1.401 11.572 1.00 0.00 C ATOM 199 CD ARG A 514 1.074 -1.035 11.979 1.00 0.00 C ATOM 200 NE ARG A 514 2.010 -2.130 11.725 1.00 0.00 N ATOM 201 CZ ARG A 514 3.337 -2.028 11.849 1.00 0.00 C ATOM 202 NH1 ARG A 514 3.889 -0.877 12.218 1.00 0.00 N1+ ATOM 203 NH2 ARG A 514 4.110 -3.080 11.617 1.00 0.00 N ATOM 0 H ARG A 514 -2.026 -2.876 12.815 1.00 0.00 H new ATOM 0 HA ARG A 514 -3.470 -0.359 12.673 1.00 0.00 H new ATOM 0 HB2 ARG A 514 -1.339 0.480 11.751 1.00 0.00 H new ATOM 0 HB3 ARG A 514 -1.108 -0.359 13.272 1.00 0.00 H new ATOM 0 HG2 ARG A 514 -0.542 -2.437 11.845 1.00 0.00 H new ATOM 0 HG3 ARG A 514 -0.438 -1.333 10.488 1.00 0.00 H new ATOM 0 HD2 ARG A 514 1.393 -0.149 11.430 1.00 0.00 H new ATOM 0 HD3 ARG A 514 1.093 -0.778 13.038 1.00 0.00 H new ATOM 0 HE ARG A 514 1.625 -3.029 11.435 1.00 0.00 H new ATOM 0 HH11 ARG A 514 3.300 -0.066 12.408 1.00 0.00 H new ATOM 0 HH12 ARG A 514 4.902 -0.804 12.311 1.00 0.00 H new ATOM 0 HH21 ARG A 514 3.692 -3.969 11.343 1.00 0.00 H new ATOM 0 HH22 ARG A 514 5.122 -3.000 11.712 1.00 0.00 H new ATOM 217 N PHE A 515 -3.496 -2.328 10.203 1.00 0.00 N ATOM 218 CA PHE A 515 -3.987 -2.526 8.856 1.00 0.00 C ATOM 219 C PHE A 515 -5.368 -3.176 8.882 1.00 0.00 C ATOM 220 O PHE A 515 -5.869 -3.634 7.860 1.00 0.00 O ATOM 221 CB PHE A 515 -3.013 -3.401 8.071 1.00 0.00 C ATOM 222 CG PHE A 515 -1.653 -2.794 7.902 1.00 0.00 C ATOM 223 CD1 PHE A 515 -1.508 -1.432 7.706 1.00 0.00 C ATOM 224 CD2 PHE A 515 -0.519 -3.586 7.946 1.00 0.00 C ATOM 225 CE1 PHE A 515 -0.260 -0.871 7.554 1.00 0.00 C ATOM 226 CE2 PHE A 515 0.735 -3.030 7.791 1.00 0.00 C ATOM 227 CZ PHE A 515 0.862 -1.670 7.597 1.00 0.00 C ATOM 0 H PHE A 515 -3.344 -3.190 10.726 1.00 0.00 H new ATOM 0 HA PHE A 515 -4.069 -1.555 8.368 1.00 0.00 H new ATOM 0 HB2 PHE A 515 -2.912 -4.360 8.578 1.00 0.00 H new ATOM 0 HB3 PHE A 515 -3.435 -3.604 7.087 1.00 0.00 H new ATOM 0 HD1 PHE A 515 -2.384 -0.802 7.672 1.00 0.00 H new ATOM 0 HD2 PHE A 515 -0.616 -4.650 8.103 1.00 0.00 H new ATOM 0 HE1 PHE A 515 -0.160 0.194 7.401 1.00 0.00 H new ATOM 0 HE2 PHE A 515 1.614 -3.657 7.821 1.00 0.00 H new ATOM 0 HZ PHE A 515 1.842 -1.231 7.479 1.00 0.00 H new ATOM 237 N SER A 516 -5.982 -3.197 10.059 1.00 0.00 N ATOM 238 CA SER A 516 -7.266 -3.866 10.256 1.00 0.00 C ATOM 239 C SER A 516 -8.354 -3.318 9.329 1.00 0.00 C ATOM 240 O SER A 516 -9.059 -4.085 8.663 1.00 0.00 O ATOM 241 CB SER A 516 -7.688 -3.730 11.720 1.00 0.00 C ATOM 242 OG SER A 516 -7.634 -2.374 12.145 1.00 0.00 O ATOM 0 H SER A 516 -5.609 -2.755 10.899 1.00 0.00 H new ATOM 0 HA SER A 516 -7.140 -4.919 10.004 1.00 0.00 H new ATOM 0 HB2 SER A 516 -8.700 -4.114 11.847 1.00 0.00 H new ATOM 0 HB3 SER A 516 -7.036 -4.337 12.348 1.00 0.00 H new ATOM 0 HG SER A 516 -6.813 -2.225 12.658 1.00 0.00 H new ATOM 248 N MET A 517 -8.493 -1.999 9.291 1.00 0.00 N ATOM 249 CA MET A 517 -9.471 -1.356 8.416 1.00 0.00 C ATOM 250 C MET A 517 -9.049 -1.509 6.953 1.00 0.00 C ATOM 251 O MET A 517 -9.887 -1.617 6.059 1.00 0.00 O ATOM 252 CB MET A 517 -9.612 0.124 8.784 1.00 0.00 C ATOM 253 CG MET A 517 -11.036 0.661 8.702 1.00 0.00 C ATOM 254 SD MET A 517 -11.729 0.615 7.040 1.00 0.00 S ATOM 255 CE MET A 517 -10.507 1.554 6.129 1.00 0.00 C ATOM 0 H MET A 517 -7.942 -1.352 9.855 1.00 0.00 H new ATOM 0 HA MET A 517 -10.439 -1.840 8.549 1.00 0.00 H new ATOM 0 HB2 MET A 517 -9.239 0.271 9.798 1.00 0.00 H new ATOM 0 HB3 MET A 517 -8.976 0.712 8.122 1.00 0.00 H new ATOM 0 HG2 MET A 517 -11.673 0.080 9.369 1.00 0.00 H new ATOM 0 HG3 MET A 517 -11.049 1.689 9.064 1.00 0.00 H new ATOM 0 HE1 MET A 517 -10.896 1.795 5.140 1.00 0.00 H new ATOM 0 HE2 MET A 517 -10.283 2.476 6.665 1.00 0.00 H new ATOM 0 HE3 MET A 517 -9.596 0.964 6.027 1.00 0.00 H new ATOM 265 N LEU A 518 -7.740 -1.540 6.732 1.00 0.00 N ATOM 266 CA LEU A 518 -7.168 -1.707 5.396 1.00 0.00 C ATOM 267 C LEU A 518 -7.721 -2.955 4.731 1.00 0.00 C ATOM 268 O LEU A 518 -8.140 -2.918 3.573 1.00 0.00 O ATOM 269 CB LEU A 518 -5.649 -1.792 5.510 1.00 0.00 C ATOM 270 CG LEU A 518 -4.876 -2.038 4.205 1.00 0.00 C ATOM 271 CD1 LEU A 518 -5.166 -0.953 3.178 1.00 0.00 C ATOM 272 CD2 LEU A 518 -3.381 -2.119 4.486 1.00 0.00 C ATOM 0 H LEU A 518 -7.043 -1.450 7.472 1.00 0.00 H new ATOM 0 HA LEU A 518 -7.438 -0.850 4.779 1.00 0.00 H new ATOM 0 HB2 LEU A 518 -5.287 -0.863 5.951 1.00 0.00 H new ATOM 0 HB3 LEU A 518 -5.404 -2.592 6.208 1.00 0.00 H new ATOM 0 HG LEU A 518 -5.210 -2.989 3.789 1.00 0.00 H new ATOM 0 HD11 LEU A 518 -4.604 -1.156 2.266 1.00 0.00 H new ATOM 0 HD12 LEU A 518 -6.232 -0.941 2.952 1.00 0.00 H new ATOM 0 HD13 LEU A 518 -4.869 0.016 3.579 1.00 0.00 H new ATOM 0 HD21 LEU A 518 -2.844 -2.294 3.553 1.00 0.00 H new ATOM 0 HD22 LEU A 518 -3.043 -1.182 4.929 1.00 0.00 H new ATOM 0 HD23 LEU A 518 -3.184 -2.939 5.177 1.00 0.00 H new ATOM 284 N VAL A 519 -7.726 -4.049 5.482 1.00 0.00 N ATOM 285 CA VAL A 519 -8.301 -5.311 5.016 1.00 0.00 C ATOM 286 C VAL A 519 -9.710 -5.103 4.473 1.00 0.00 C ATOM 287 O VAL A 519 -10.042 -5.551 3.377 1.00 0.00 O ATOM 288 CB VAL A 519 -8.383 -6.348 6.152 1.00 0.00 C ATOM 289 CG1 VAL A 519 -8.659 -7.741 5.603 1.00 0.00 C ATOM 290 CG2 VAL A 519 -7.120 -6.331 6.986 1.00 0.00 C ATOM 0 H VAL A 519 -7.336 -4.090 6.424 1.00 0.00 H new ATOM 0 HA VAL A 519 -7.643 -5.678 4.228 1.00 0.00 H new ATOM 0 HB VAL A 519 -9.217 -6.076 6.798 1.00 0.00 H new ATOM 0 HG11 VAL A 519 -8.712 -8.453 6.427 1.00 0.00 H new ATOM 0 HG12 VAL A 519 -9.607 -7.739 5.064 1.00 0.00 H new ATOM 0 HG13 VAL A 519 -7.857 -8.030 4.924 1.00 0.00 H new ATOM 0 HG21 VAL A 519 -7.200 -7.071 7.782 1.00 0.00 H new ATOM 0 HG22 VAL A 519 -6.264 -6.568 6.355 1.00 0.00 H new ATOM 0 HG23 VAL A 519 -6.986 -5.341 7.423 1.00 0.00 H new ATOM 300 N ALA A 520 -10.523 -4.402 5.250 1.00 0.00 N ATOM 301 CA ALA A 520 -11.917 -4.150 4.897 1.00 0.00 C ATOM 302 C ALA A 520 -12.044 -3.309 3.621 1.00 0.00 C ATOM 303 O ALA A 520 -13.010 -3.460 2.872 1.00 0.00 O ATOM 304 CB ALA A 520 -12.634 -3.469 6.051 1.00 0.00 C ATOM 0 H ALA A 520 -10.239 -3.992 6.140 1.00 0.00 H new ATOM 0 HA ALA A 520 -12.385 -5.114 4.699 1.00 0.00 H new ATOM 0 HB1 ALA A 520 -13.673 -3.286 5.777 1.00 0.00 H new ATOM 0 HB2 ALA A 520 -12.599 -4.111 6.931 1.00 0.00 H new ATOM 0 HB3 ALA A 520 -12.145 -2.521 6.274 1.00 0.00 H new ATOM 310 N ALA A 521 -11.079 -2.430 3.368 1.00 0.00 N ATOM 311 CA ALA A 521 -11.091 -1.640 2.142 1.00 0.00 C ATOM 312 C ALA A 521 -10.731 -2.517 0.952 1.00 0.00 C ATOM 313 O ALA A 521 -11.408 -2.494 -0.069 1.00 0.00 O ATOM 314 CB ALA A 521 -10.147 -0.454 2.242 1.00 0.00 C ATOM 0 H ALA A 521 -10.289 -2.248 3.987 1.00 0.00 H new ATOM 0 HA ALA A 521 -12.098 -1.248 1.998 1.00 0.00 H new ATOM 0 HB1 ALA A 521 -10.178 0.115 1.313 1.00 0.00 H new ATOM 0 HB2 ALA A 521 -10.453 0.186 3.070 1.00 0.00 H new ATOM 0 HB3 ALA A 521 -9.132 -0.811 2.415 1.00 0.00 H new ATOM 320 N ILE A 522 -9.678 -3.308 1.105 1.00 0.00 N ATOM 321 CA ILE A 522 -9.278 -4.268 0.080 1.00 0.00 C ATOM 322 C ILE A 522 -10.438 -5.213 -0.217 1.00 0.00 C ATOM 323 O ILE A 522 -10.688 -5.584 -1.365 1.00 0.00 O ATOM 324 CB ILE A 522 -8.060 -5.090 0.544 1.00 0.00 C ATOM 325 CG1 ILE A 522 -6.948 -4.151 1.012 1.00 0.00 C ATOM 326 CG2 ILE A 522 -7.565 -5.995 -0.577 1.00 0.00 C ATOM 327 CD1 ILE A 522 -5.881 -4.834 1.829 1.00 0.00 C ATOM 0 H ILE A 522 -9.082 -3.305 1.932 1.00 0.00 H new ATOM 0 HA ILE A 522 -9.006 -3.716 -0.820 1.00 0.00 H new ATOM 0 HB ILE A 522 -8.359 -5.723 1.379 1.00 0.00 H new ATOM 0 HG12 ILE A 522 -6.485 -3.688 0.141 1.00 0.00 H new ATOM 0 HG13 ILE A 522 -7.388 -3.348 1.604 1.00 0.00 H new ATOM 0 HG21 ILE A 522 -6.705 -6.567 -0.230 1.00 0.00 H new ATOM 0 HG22 ILE A 522 -8.361 -6.679 -0.871 1.00 0.00 H new ATOM 0 HG23 ILE A 522 -7.275 -5.387 -1.434 1.00 0.00 H new ATOM 0 HD11 ILE A 522 -5.127 -4.105 2.125 1.00 0.00 H new ATOM 0 HD12 ILE A 522 -6.330 -5.273 2.720 1.00 0.00 H new ATOM 0 HD13 ILE A 522 -5.413 -5.618 1.234 1.00 0.00 H new ATOM 339 N GLN A 523 -11.146 -5.567 0.846 1.00 0.00 N ATOM 340 CA GLN A 523 -12.340 -6.368 0.778 1.00 0.00 C ATOM 341 C GLN A 523 -13.395 -5.711 -0.092 1.00 0.00 C ATOM 342 O GLN A 523 -13.858 -6.284 -1.076 1.00 0.00 O ATOM 343 CB GLN A 523 -12.879 -6.505 2.189 1.00 0.00 C ATOM 344 CG GLN A 523 -14.159 -7.287 2.280 1.00 0.00 C ATOM 345 CD GLN A 523 -14.033 -8.687 1.706 1.00 0.00 C ATOM 346 OE1 GLN A 523 -13.717 -9.638 2.421 1.00 0.00 O ATOM 347 NE2 GLN A 523 -14.245 -8.815 0.402 1.00 0.00 N ATOM 0 H GLN A 523 -10.893 -5.295 1.796 1.00 0.00 H new ATOM 0 HA GLN A 523 -12.101 -7.338 0.342 1.00 0.00 H new ATOM 0 HB2 GLN A 523 -12.125 -6.988 2.810 1.00 0.00 H new ATOM 0 HB3 GLN A 523 -13.043 -5.510 2.603 1.00 0.00 H new ATOM 0 HG2 GLN A 523 -14.466 -7.353 3.324 1.00 0.00 H new ATOM 0 HG3 GLN A 523 -14.946 -6.751 1.750 1.00 0.00 H new ATOM 0 HE21 GLN A 523 -14.505 -8.001 -0.155 1.00 0.00 H new ATOM 0 HE22 GLN A 523 -14.148 -9.727 -0.043 1.00 0.00 H new ATOM 356 N SER A 524 -13.770 -4.510 0.306 1.00 0.00 N ATOM 357 CA SER A 524 -14.776 -3.722 -0.402 1.00 0.00 C ATOM 358 C SER A 524 -14.371 -3.458 -1.854 1.00 0.00 C ATOM 359 O SER A 524 -15.220 -3.209 -2.706 1.00 0.00 O ATOM 360 CB SER A 524 -15.012 -2.400 0.331 1.00 0.00 C ATOM 361 OG SER A 524 -15.338 -2.632 1.692 1.00 0.00 O ATOM 0 H SER A 524 -13.388 -4.047 1.131 1.00 0.00 H new ATOM 0 HA SER A 524 -15.701 -4.298 -0.419 1.00 0.00 H new ATOM 0 HB2 SER A 524 -14.119 -1.778 0.267 1.00 0.00 H new ATOM 0 HB3 SER A 524 -15.819 -1.849 -0.153 1.00 0.00 H new ATOM 0 HG SER A 524 -14.517 -2.795 2.202 1.00 0.00 H new ATOM 367 N ALA A 525 -13.072 -3.517 -2.123 1.00 0.00 N ATOM 368 CA ALA A 525 -12.557 -3.320 -3.470 1.00 0.00 C ATOM 369 C ALA A 525 -12.566 -4.627 -4.261 1.00 0.00 C ATOM 370 O ALA A 525 -12.407 -4.624 -5.483 1.00 0.00 O ATOM 371 CB ALA A 525 -11.147 -2.749 -3.417 1.00 0.00 C ATOM 0 H ALA A 525 -12.354 -3.701 -1.422 1.00 0.00 H new ATOM 0 HA ALA A 525 -13.209 -2.611 -3.980 1.00 0.00 H new ATOM 0 HB1 ALA A 525 -10.774 -2.607 -4.431 1.00 0.00 H new ATOM 0 HB2 ALA A 525 -11.162 -1.791 -2.898 1.00 0.00 H new ATOM 0 HB3 ALA A 525 -10.494 -3.440 -2.884 1.00 0.00 H new ATOM 377 N GLY A 526 -12.751 -5.744 -3.559 1.00 0.00 N ATOM 378 CA GLY A 526 -12.757 -7.042 -4.205 1.00 0.00 C ATOM 379 C GLY A 526 -11.367 -7.511 -4.593 1.00 0.00 C ATOM 380 O GLY A 526 -11.220 -8.493 -5.319 1.00 0.00 O ATOM 0 H GLY A 526 -12.897 -5.770 -2.550 1.00 0.00 H new ATOM 0 HA2 GLY A 526 -13.209 -7.774 -3.536 1.00 0.00 H new ATOM 0 HA3 GLY A 526 -13.382 -6.996 -5.097 1.00 0.00 H new ATOM 384 N LEU A 527 -10.339 -6.837 -4.084 1.00 0.00 N ATOM 385 CA LEU A 527 -8.965 -7.161 -4.449 1.00 0.00 C ATOM 386 C LEU A 527 -8.400 -8.269 -3.570 1.00 0.00 C ATOM 387 O LEU A 527 -7.188 -8.498 -3.557 1.00 0.00 O ATOM 388 CB LEU A 527 -8.060 -5.934 -4.355 1.00 0.00 C ATOM 389 CG LEU A 527 -8.373 -4.805 -5.341 1.00 0.00 C ATOM 390 CD1 LEU A 527 -7.389 -3.659 -5.170 1.00 0.00 C ATOM 391 CD2 LEU A 527 -8.344 -5.318 -6.774 1.00 0.00 C ATOM 0 H LEU A 527 -10.431 -6.067 -3.421 1.00 0.00 H new ATOM 0 HA LEU A 527 -8.990 -7.507 -5.482 1.00 0.00 H new ATOM 0 HB2 LEU A 527 -8.122 -5.536 -3.342 1.00 0.00 H new ATOM 0 HB3 LEU A 527 -7.029 -6.252 -4.510 1.00 0.00 H new ATOM 0 HG LEU A 527 -9.376 -4.436 -5.128 1.00 0.00 H new ATOM 0 HD11 LEU A 527 -7.627 -2.866 -5.879 1.00 0.00 H new ATOM 0 HD12 LEU A 527 -7.457 -3.270 -4.154 1.00 0.00 H new ATOM 0 HD13 LEU A 527 -6.377 -4.018 -5.354 1.00 0.00 H new ATOM 0 HD21 LEU A 527 -8.569 -4.500 -7.458 1.00 0.00 H new ATOM 0 HD22 LEU A 527 -7.354 -5.716 -6.998 1.00 0.00 H new ATOM 0 HD23 LEU A 527 -9.088 -6.106 -6.894 1.00 0.00 H new ATOM 403 N THR A 528 -9.270 -8.950 -2.835 1.00 0.00 N ATOM 404 CA THR A 528 -8.852 -10.078 -2.022 1.00 0.00 C ATOM 405 C THR A 528 -8.135 -11.116 -2.873 1.00 0.00 C ATOM 406 O THR A 528 -7.053 -11.583 -2.520 1.00 0.00 O ATOM 407 CB THR A 528 -10.055 -10.746 -1.343 1.00 0.00 C ATOM 408 OG1 THR A 528 -10.806 -9.770 -0.612 1.00 0.00 O ATOM 409 CG2 THR A 528 -9.596 -11.863 -0.415 1.00 0.00 C ATOM 0 H THR A 528 -10.267 -8.739 -2.787 1.00 0.00 H new ATOM 0 HA THR A 528 -8.175 -9.694 -1.259 1.00 0.00 H new ATOM 0 HB THR A 528 -10.692 -11.182 -2.112 1.00 0.00 H new ATOM 0 HG1 THR A 528 -11.573 -10.202 -0.182 1.00 0.00 H new ATOM 0 HG21 THR A 528 -10.464 -12.324 0.057 1.00 0.00 H new ATOM 0 HG22 THR A 528 -9.054 -12.614 -0.990 1.00 0.00 H new ATOM 0 HG23 THR A 528 -8.941 -11.452 0.353 1.00 0.00 H new ATOM 417 N GLU A 529 -8.733 -11.450 -4.010 1.00 0.00 N ATOM 418 CA GLU A 529 -8.171 -12.449 -4.904 1.00 0.00 C ATOM 419 C GLU A 529 -6.892 -11.946 -5.564 1.00 0.00 C ATOM 420 O GLU A 529 -6.120 -12.733 -6.090 1.00 0.00 O ATOM 421 CB GLU A 529 -9.197 -12.855 -5.964 1.00 0.00 C ATOM 422 CG GLU A 529 -9.657 -11.708 -6.854 1.00 0.00 C ATOM 423 CD GLU A 529 -10.782 -12.112 -7.781 1.00 0.00 C ATOM 424 OE1 GLU A 529 -10.497 -12.657 -8.866 1.00 0.00 O1- ATOM 425 OE2 GLU A 529 -11.959 -11.896 -7.419 1.00 0.00 O ATOM 0 H GLU A 529 -9.610 -11.041 -4.333 1.00 0.00 H new ATOM 0 HA GLU A 529 -7.916 -13.326 -4.308 1.00 0.00 H new ATOM 0 HB2 GLU A 529 -8.767 -13.637 -6.590 1.00 0.00 H new ATOM 0 HB3 GLU A 529 -10.066 -13.286 -5.467 1.00 0.00 H new ATOM 0 HG2 GLU A 529 -9.985 -10.877 -6.230 1.00 0.00 H new ATOM 0 HG3 GLU A 529 -8.814 -11.350 -7.445 1.00 0.00 H new ATOM 432 N THR A 530 -6.666 -10.637 -5.522 1.00 0.00 N ATOM 433 CA THR A 530 -5.469 -10.056 -6.105 1.00 0.00 C ATOM 434 C THR A 530 -4.287 -10.175 -5.140 1.00 0.00 C ATOM 435 O THR A 530 -3.187 -10.557 -5.534 1.00 0.00 O ATOM 436 CB THR A 530 -5.703 -8.577 -6.472 1.00 0.00 C ATOM 437 OG1 THR A 530 -6.870 -8.467 -7.298 1.00 0.00 O ATOM 438 CG2 THR A 530 -4.501 -7.996 -7.207 1.00 0.00 C ATOM 0 H THR A 530 -7.297 -9.962 -5.090 1.00 0.00 H new ATOM 0 HA THR A 530 -5.236 -10.608 -7.015 1.00 0.00 H new ATOM 0 HB THR A 530 -5.845 -8.013 -5.550 1.00 0.00 H new ATOM 0 HG1 THR A 530 -6.773 -7.700 -7.901 1.00 0.00 H new ATOM 0 HG21 THR A 530 -4.695 -6.952 -7.453 1.00 0.00 H new ATOM 0 HG22 THR A 530 -3.619 -8.061 -6.570 1.00 0.00 H new ATOM 0 HG23 THR A 530 -4.329 -8.559 -8.124 1.00 0.00 H new ATOM 446 N LEU A 531 -4.525 -9.866 -3.868 1.00 0.00 N ATOM 447 CA LEU A 531 -3.470 -9.942 -2.860 1.00 0.00 C ATOM 448 C LEU A 531 -3.288 -11.360 -2.342 1.00 0.00 C ATOM 449 O LEU A 531 -2.255 -11.686 -1.771 1.00 0.00 O ATOM 450 CB LEU A 531 -3.755 -8.994 -1.695 1.00 0.00 C ATOM 451 CG LEU A 531 -3.496 -7.517 -1.986 1.00 0.00 C ATOM 452 CD1 LEU A 531 -3.721 -6.685 -0.735 1.00 0.00 C ATOM 453 CD2 LEU A 531 -2.079 -7.319 -2.506 1.00 0.00 C ATOM 0 H LEU A 531 -5.432 -9.563 -3.512 1.00 0.00 H new ATOM 0 HA LEU A 531 -2.543 -9.636 -3.345 1.00 0.00 H new ATOM 0 HB2 LEU A 531 -4.797 -9.113 -1.396 1.00 0.00 H new ATOM 0 HB3 LEU A 531 -3.143 -9.294 -0.844 1.00 0.00 H new ATOM 0 HG LEU A 531 -4.196 -7.187 -2.754 1.00 0.00 H new ATOM 0 HD11 LEU A 531 -3.533 -5.635 -0.958 1.00 0.00 H new ATOM 0 HD12 LEU A 531 -4.751 -6.806 -0.398 1.00 0.00 H new ATOM 0 HD13 LEU A 531 -3.041 -7.017 0.050 1.00 0.00 H new ATOM 0 HD21 LEU A 531 -1.910 -6.261 -2.709 1.00 0.00 H new ATOM 0 HD22 LEU A 531 -1.365 -7.664 -1.758 1.00 0.00 H new ATOM 0 HD23 LEU A 531 -1.945 -7.890 -3.425 1.00 0.00 H new ATOM 465 N ASN A 532 -4.296 -12.195 -2.521 1.00 0.00 N ATOM 466 CA ASN A 532 -4.193 -13.599 -2.160 1.00 0.00 C ATOM 467 C ASN A 532 -3.696 -14.436 -3.339 1.00 0.00 C ATOM 468 O ASN A 532 -3.914 -15.645 -3.394 1.00 0.00 O ATOM 469 CB ASN A 532 -5.549 -14.086 -1.666 1.00 0.00 C ATOM 470 CG ASN A 532 -5.678 -13.995 -0.168 1.00 0.00 C ATOM 471 OD1 ASN A 532 -4.702 -14.127 0.573 1.00 0.00 O ATOM 472 ND2 ASN A 532 -6.887 -13.766 0.284 1.00 0.00 N ATOM 0 H ASN A 532 -5.197 -11.925 -2.915 1.00 0.00 H new ATOM 0 HA ASN A 532 -3.461 -13.713 -1.360 1.00 0.00 H new ATOM 0 HB2 ASN A 532 -6.337 -13.495 -2.133 1.00 0.00 H new ATOM 0 HB3 ASN A 532 -5.698 -15.119 -1.979 1.00 0.00 H new ATOM 0 HD21 ASN A 532 -7.050 -13.690 1.288 1.00 0.00 H new ATOM 0 HD22 ASN A 532 -7.664 -13.664 -0.368 1.00 0.00 H new ATOM 479 N ARG A 533 -3.014 -13.781 -4.271 1.00 0.00 N ATOM 480 CA ARG A 533 -2.419 -14.463 -5.414 1.00 0.00 C ATOM 481 C ARG A 533 -0.918 -14.632 -5.244 1.00 0.00 C ATOM 482 O ARG A 533 -0.295 -13.970 -4.407 1.00 0.00 O ATOM 483 CB ARG A 533 -2.708 -13.709 -6.713 1.00 0.00 C ATOM 484 CG ARG A 533 -3.973 -14.172 -7.394 1.00 0.00 C ATOM 485 CD ARG A 533 -3.925 -15.662 -7.655 1.00 0.00 C ATOM 486 NE ARG A 533 -5.187 -16.179 -8.156 1.00 0.00 N ATOM 487 CZ ARG A 533 -5.321 -17.387 -8.689 1.00 0.00 C ATOM 488 NH1 ARG A 533 -4.256 -18.179 -8.800 1.00 0.00 N1+ ATOM 489 NH2 ARG A 533 -6.514 -17.799 -9.098 1.00 0.00 N ATOM 0 H ARG A 533 -2.859 -12.773 -4.257 1.00 0.00 H new ATOM 0 HA ARG A 533 -2.874 -15.452 -5.468 1.00 0.00 H new ATOM 0 HB2 ARG A 533 -2.787 -12.643 -6.498 1.00 0.00 H new ATOM 0 HB3 ARG A 533 -1.867 -13.836 -7.395 1.00 0.00 H new ATOM 0 HG2 ARG A 533 -4.835 -13.934 -6.771 1.00 0.00 H new ATOM 0 HG3 ARG A 533 -4.102 -13.637 -8.335 1.00 0.00 H new ATOM 0 HD2 ARG A 533 -3.136 -15.876 -8.376 1.00 0.00 H new ATOM 0 HD3 ARG A 533 -3.664 -16.181 -6.733 1.00 0.00 H new ATOM 0 HE ARG A 533 -6.012 -15.583 -8.095 1.00 0.00 H new ATOM 0 HH11 ARG A 533 -3.344 -17.856 -8.476 1.00 0.00 H new ATOM 0 HH12 ARG A 533 -4.352 -19.109 -9.209 1.00 0.00 H new ATOM 0 HH21 ARG A 533 -7.325 -17.188 -9.002 1.00 0.00 H new ATOM 0 HH22 ARG A 533 -6.620 -18.727 -9.508 1.00 0.00 H new ATOM 503 N GLU A 534 -0.346 -15.516 -6.050 1.00 0.00 N ATOM 504 CA GLU A 534 1.077 -15.796 -5.998 1.00 0.00 C ATOM 505 C GLU A 534 1.820 -14.936 -7.015 1.00 0.00 C ATOM 506 O GLU A 534 1.248 -14.518 -8.023 1.00 0.00 O ATOM 507 CB GLU A 534 1.358 -17.291 -6.248 1.00 0.00 C ATOM 508 CG GLU A 534 0.893 -17.820 -7.605 1.00 0.00 C ATOM 509 CD GLU A 534 -0.608 -18.018 -7.698 1.00 0.00 C ATOM 510 OE1 GLU A 534 -1.102 -19.072 -7.250 1.00 0.00 O1- ATOM 511 OE2 GLU A 534 -1.301 -17.125 -8.225 1.00 0.00 O ATOM 0 H GLU A 534 -0.853 -16.054 -6.752 1.00 0.00 H new ATOM 0 HA GLU A 534 1.436 -15.550 -4.999 1.00 0.00 H new ATOM 0 HB2 GLU A 534 2.430 -17.464 -6.156 1.00 0.00 H new ATOM 0 HB3 GLU A 534 0.873 -17.872 -5.463 1.00 0.00 H new ATOM 0 HG2 GLU A 534 1.208 -17.125 -8.384 1.00 0.00 H new ATOM 0 HG3 GLU A 534 1.389 -18.770 -7.805 1.00 0.00 H new ATOM 518 N GLY A 535 3.087 -14.669 -6.744 1.00 0.00 N ATOM 519 CA GLY A 535 3.886 -13.861 -7.642 1.00 0.00 C ATOM 520 C GLY A 535 4.753 -12.874 -6.892 1.00 0.00 C ATOM 521 O GLY A 535 5.330 -13.213 -5.858 1.00 0.00 O ATOM 0 H GLY A 535 3.579 -14.999 -5.914 1.00 0.00 H new ATOM 0 HA2 GLY A 535 4.517 -14.510 -8.250 1.00 0.00 H new ATOM 0 HA3 GLY A 535 3.230 -13.322 -8.326 1.00 0.00 H new ATOM 525 N VAL A 536 4.843 -11.658 -7.409 1.00 0.00 N ATOM 526 CA VAL A 536 5.626 -10.607 -6.778 1.00 0.00 C ATOM 527 C VAL A 536 4.785 -9.340 -6.626 1.00 0.00 C ATOM 528 O VAL A 536 4.175 -8.876 -7.587 1.00 0.00 O ATOM 529 CB VAL A 536 6.909 -10.302 -7.592 1.00 0.00 C ATOM 530 CG1 VAL A 536 7.878 -11.474 -7.527 1.00 0.00 C ATOM 531 CG2 VAL A 536 6.580 -9.992 -9.043 1.00 0.00 C ATOM 0 H VAL A 536 4.379 -11.373 -8.272 1.00 0.00 H new ATOM 0 HA VAL A 536 5.926 -10.956 -5.790 1.00 0.00 H new ATOM 0 HB VAL A 536 7.378 -9.424 -7.147 1.00 0.00 H new ATOM 0 HG11 VAL A 536 8.772 -11.239 -8.105 1.00 0.00 H new ATOM 0 HG12 VAL A 536 8.155 -11.660 -6.489 1.00 0.00 H new ATOM 0 HG13 VAL A 536 7.402 -12.363 -7.940 1.00 0.00 H new ATOM 0 HG21 VAL A 536 7.500 -9.782 -9.588 1.00 0.00 H new ATOM 0 HG22 VAL A 536 6.079 -10.849 -9.493 1.00 0.00 H new ATOM 0 HG23 VAL A 536 5.925 -9.122 -9.090 1.00 0.00 H new ATOM 541 N TYR A 537 4.735 -8.807 -5.409 1.00 0.00 N ATOM 542 CA TYR A 537 4.011 -7.570 -5.130 1.00 0.00 C ATOM 543 C TYR A 537 4.742 -6.761 -4.071 1.00 0.00 C ATOM 544 O TYR A 537 5.084 -7.282 -3.010 1.00 0.00 O ATOM 545 CB TYR A 537 2.594 -7.845 -4.607 1.00 0.00 C ATOM 546 CG TYR A 537 1.684 -8.603 -5.544 1.00 0.00 C ATOM 547 CD1 TYR A 537 1.318 -8.076 -6.777 1.00 0.00 C ATOM 548 CD2 TYR A 537 1.170 -9.840 -5.183 1.00 0.00 C ATOM 549 CE1 TYR A 537 0.467 -8.765 -7.623 1.00 0.00 C ATOM 550 CE2 TYR A 537 0.321 -10.533 -6.021 1.00 0.00 C ATOM 551 CZ TYR A 537 -0.027 -9.995 -7.238 1.00 0.00 C ATOM 552 OH TYR A 537 -0.869 -10.689 -8.074 1.00 0.00 O ATOM 0 H TYR A 537 5.191 -9.216 -4.594 1.00 0.00 H new ATOM 0 HA TYR A 537 3.951 -7.021 -6.070 1.00 0.00 H new ATOM 0 HB2 TYR A 537 2.673 -8.405 -3.675 1.00 0.00 H new ATOM 0 HB3 TYR A 537 2.124 -6.891 -4.367 1.00 0.00 H new ATOM 0 HD1 TYR A 537 1.704 -7.114 -7.079 1.00 0.00 H new ATOM 0 HD2 TYR A 537 1.439 -10.268 -4.229 1.00 0.00 H new ATOM 0 HE1 TYR A 537 0.191 -8.343 -8.578 1.00 0.00 H new ATOM 0 HE2 TYR A 537 -0.069 -11.495 -5.722 1.00 0.00 H new ATOM 0 HH TYR A 537 -1.124 -11.536 -7.652 1.00 0.00 H new ATOM 562 N THR A 538 4.980 -5.496 -4.358 1.00 0.00 N ATOM 563 CA THR A 538 5.481 -4.571 -3.355 1.00 0.00 C ATOM 564 C THR A 538 4.362 -3.625 -2.942 1.00 0.00 C ATOM 565 O THR A 538 4.046 -2.671 -3.650 1.00 0.00 O ATOM 566 CB THR A 538 6.688 -3.763 -3.865 1.00 0.00 C ATOM 567 OG1 THR A 538 7.772 -4.646 -4.165 1.00 0.00 O ATOM 568 CG2 THR A 538 7.145 -2.744 -2.838 1.00 0.00 C ATOM 0 H THR A 538 4.835 -5.083 -5.279 1.00 0.00 H new ATOM 0 HA THR A 538 5.819 -5.154 -2.498 1.00 0.00 H new ATOM 0 HB THR A 538 6.378 -3.232 -4.765 1.00 0.00 H new ATOM 0 HG1 THR A 538 7.858 -4.740 -5.137 1.00 0.00 H new ATOM 0 HG21 THR A 538 7.999 -2.191 -3.229 1.00 0.00 H new ATOM 0 HG22 THR A 538 6.330 -2.052 -2.625 1.00 0.00 H new ATOM 0 HG23 THR A 538 7.435 -3.257 -1.921 1.00 0.00 H new ATOM 576 N VAL A 539 3.751 -3.911 -1.808 1.00 0.00 N ATOM 577 CA VAL A 539 2.584 -3.184 -1.369 1.00 0.00 C ATOM 578 C VAL A 539 2.941 -2.169 -0.295 1.00 0.00 C ATOM 579 O VAL A 539 3.406 -2.533 0.787 1.00 0.00 O ATOM 580 CB VAL A 539 1.517 -4.153 -0.825 1.00 0.00 C ATOM 581 CG1 VAL A 539 0.296 -3.395 -0.333 1.00 0.00 C ATOM 582 CG2 VAL A 539 1.134 -5.166 -1.891 1.00 0.00 C ATOM 0 H VAL A 539 4.050 -4.650 -1.171 1.00 0.00 H new ATOM 0 HA VAL A 539 2.183 -2.653 -2.232 1.00 0.00 H new ATOM 0 HB VAL A 539 1.939 -4.689 0.025 1.00 0.00 H new ATOM 0 HG11 VAL A 539 -0.443 -4.101 0.046 1.00 0.00 H new ATOM 0 HG12 VAL A 539 0.589 -2.713 0.465 1.00 0.00 H new ATOM 0 HG13 VAL A 539 -0.135 -2.826 -1.157 1.00 0.00 H new ATOM 0 HG21 VAL A 539 0.379 -5.845 -1.494 1.00 0.00 H new ATOM 0 HG22 VAL A 539 0.732 -4.645 -2.760 1.00 0.00 H new ATOM 0 HG23 VAL A 539 2.016 -5.736 -2.185 1.00 0.00 H new ATOM 592 N PHE A 540 2.745 -0.897 -0.595 1.00 0.00 N ATOM 593 CA PHE A 540 2.895 0.128 0.404 1.00 0.00 C ATOM 594 C PHE A 540 1.584 0.284 1.150 1.00 0.00 C ATOM 595 O PHE A 540 0.585 0.735 0.595 1.00 0.00 O ATOM 596 CB PHE A 540 3.358 1.427 -0.244 1.00 0.00 C ATOM 597 CG PHE A 540 4.821 1.411 -0.563 1.00 0.00 C ATOM 598 CD1 PHE A 540 5.740 1.822 0.381 1.00 0.00 C ATOM 599 CD2 PHE A 540 5.280 0.982 -1.797 1.00 0.00 C ATOM 600 CE1 PHE A 540 7.092 1.812 0.104 1.00 0.00 C ATOM 601 CE2 PHE A 540 6.633 0.967 -2.082 1.00 0.00 C ATOM 602 CZ PHE A 540 7.540 1.383 -1.130 1.00 0.00 C ATOM 0 H PHE A 540 2.483 -0.557 -1.520 1.00 0.00 H new ATOM 0 HA PHE A 540 3.661 -0.152 1.127 1.00 0.00 H new ATOM 0 HB2 PHE A 540 2.790 1.597 -1.159 1.00 0.00 H new ATOM 0 HB3 PHE A 540 3.143 2.261 0.424 1.00 0.00 H new ATOM 0 HD1 PHE A 540 5.397 2.156 1.349 1.00 0.00 H new ATOM 0 HD2 PHE A 540 4.573 0.655 -2.545 1.00 0.00 H new ATOM 0 HE1 PHE A 540 7.799 2.139 0.852 1.00 0.00 H new ATOM 0 HE2 PHE A 540 6.979 0.630 -3.048 1.00 0.00 H new ATOM 0 HZ PHE A 540 8.598 1.373 -1.349 1.00 0.00 H new ATOM 612 N ALA A 541 1.599 -0.116 2.405 1.00 0.00 N ATOM 613 CA ALA A 541 0.376 -0.273 3.174 1.00 0.00 C ATOM 614 C ALA A 541 0.109 0.933 4.056 1.00 0.00 C ATOM 615 O ALA A 541 0.879 1.229 4.973 1.00 0.00 O ATOM 616 CB ALA A 541 0.440 -1.534 4.016 1.00 0.00 C ATOM 0 H ALA A 541 2.451 -0.340 2.920 1.00 0.00 H new ATOM 0 HA ALA A 541 -0.449 -0.357 2.467 1.00 0.00 H new ATOM 0 HB1 ALA A 541 -0.483 -1.638 4.586 1.00 0.00 H new ATOM 0 HB2 ALA A 541 0.564 -2.400 3.366 1.00 0.00 H new ATOM 0 HB3 ALA A 541 1.285 -1.471 4.702 1.00 0.00 H new ATOM 622 N PRO A 542 -0.982 1.652 3.778 1.00 0.00 N ATOM 623 CA PRO A 542 -1.392 2.795 4.576 1.00 0.00 C ATOM 624 C PRO A 542 -2.093 2.352 5.851 1.00 0.00 C ATOM 625 O PRO A 542 -2.948 1.464 5.827 1.00 0.00 O ATOM 626 CB PRO A 542 -2.353 3.541 3.654 1.00 0.00 C ATOM 627 CG PRO A 542 -2.940 2.487 2.777 1.00 0.00 C ATOM 628 CD PRO A 542 -1.908 1.395 2.661 1.00 0.00 C ATOM 0 HA PRO A 542 -0.552 3.407 4.903 1.00 0.00 H new ATOM 0 HB2 PRO A 542 -3.126 4.057 4.223 1.00 0.00 H new ATOM 0 HB3 PRO A 542 -1.831 4.297 3.068 1.00 0.00 H new ATOM 0 HG2 PRO A 542 -3.866 2.101 3.203 1.00 0.00 H new ATOM 0 HG3 PRO A 542 -3.186 2.893 1.796 1.00 0.00 H new ATOM 0 HD2 PRO A 542 -2.363 0.407 2.740 1.00 0.00 H new ATOM 0 HD3 PRO A 542 -1.394 1.433 1.701 1.00 0.00 H new ATOM 636 N THR A 543 -1.721 2.959 6.960 1.00 0.00 N ATOM 637 CA THR A 543 -2.278 2.587 8.247 1.00 0.00 C ATOM 638 C THR A 543 -3.690 3.126 8.423 1.00 0.00 C ATOM 639 O THR A 543 -4.234 3.797 7.542 1.00 0.00 O ATOM 640 CB THR A 543 -1.398 3.101 9.398 1.00 0.00 C ATOM 641 OG1 THR A 543 -1.263 4.525 9.308 1.00 0.00 O ATOM 642 CG2 THR A 543 -0.027 2.454 9.354 1.00 0.00 C ATOM 0 H THR A 543 -1.035 3.713 6.997 1.00 0.00 H new ATOM 0 HA THR A 543 -2.311 1.498 8.273 1.00 0.00 H new ATOM 0 HB THR A 543 -1.876 2.840 10.342 1.00 0.00 H new ATOM 0 HG1 THR A 543 -0.703 4.848 10.045 1.00 0.00 H new ATOM 0 HG21 THR A 543 0.580 2.831 10.177 1.00 0.00 H new ATOM 0 HG22 THR A 543 -0.132 1.373 9.446 1.00 0.00 H new ATOM 0 HG23 THR A 543 0.457 2.692 8.407 1.00 0.00 H new ATOM 650 N ASN A 544 -4.275 2.844 9.577 1.00 0.00 N ATOM 651 CA ASN A 544 -5.615 3.316 9.885 1.00 0.00 C ATOM 652 C ASN A 544 -5.579 4.804 10.190 1.00 0.00 C ATOM 653 O ASN A 544 -6.604 5.481 10.163 1.00 0.00 O ATOM 654 CB ASN A 544 -6.219 2.537 11.060 1.00 0.00 C ATOM 655 CG ASN A 544 -6.344 1.050 10.769 1.00 0.00 C ATOM 656 OD1 ASN A 544 -6.455 0.698 9.497 1.00 0.00 O flip ATOM 657 ND2 ASN A 544 -6.333 0.222 11.675 1.00 0.00 N flip ATOM 0 H ASN A 544 -3.842 2.290 10.316 1.00 0.00 H new ATOM 0 HA ASN A 544 -6.250 3.147 9.016 1.00 0.00 H new ATOM 0 HB2 ASN A 544 -5.598 2.680 11.944 1.00 0.00 H new ATOM 0 HB3 ASN A 544 -7.204 2.943 11.293 1.00 0.00 H new ATOM 0 HD21 ASN A 544 -6.246 0.528 12.644 1.00 0.00 H new ATOM 0 HD22 ASN A 544 -6.411 -0.772 11.459 1.00 0.00 H new ATOM 664 N GLU A 545 -4.382 5.306 10.464 1.00 0.00 N ATOM 665 CA GLU A 545 -4.177 6.726 10.684 1.00 0.00 C ATOM 666 C GLU A 545 -4.189 7.465 9.344 1.00 0.00 C ATOM 667 O GLU A 545 -4.537 8.641 9.271 1.00 0.00 O ATOM 668 CB GLU A 545 -2.853 6.945 11.427 1.00 0.00 C ATOM 669 CG GLU A 545 -2.529 8.400 11.712 1.00 0.00 C ATOM 670 CD GLU A 545 -1.342 8.553 12.641 1.00 0.00 C ATOM 671 OE1 GLU A 545 -0.240 8.087 12.290 1.00 0.00 O1- ATOM 672 OE2 GLU A 545 -1.512 9.118 13.743 1.00 0.00 O ATOM 0 H GLU A 545 -3.534 4.743 10.539 1.00 0.00 H new ATOM 0 HA GLU A 545 -4.985 7.125 11.298 1.00 0.00 H new ATOM 0 HB2 GLU A 545 -2.885 6.401 12.371 1.00 0.00 H new ATOM 0 HB3 GLU A 545 -2.044 6.514 10.838 1.00 0.00 H new ATOM 0 HG2 GLU A 545 -2.322 8.914 10.774 1.00 0.00 H new ATOM 0 HG3 GLU A 545 -3.399 8.884 12.155 1.00 0.00 H new ATOM 679 N ALA A 546 -3.844 6.748 8.284 1.00 0.00 N ATOM 680 CA ALA A 546 -3.837 7.318 6.944 1.00 0.00 C ATOM 681 C ALA A 546 -5.238 7.542 6.429 1.00 0.00 C ATOM 682 O ALA A 546 -5.540 8.571 5.826 1.00 0.00 O ATOM 683 CB ALA A 546 -3.071 6.412 6.000 1.00 0.00 C ATOM 0 H ALA A 546 -3.565 5.768 8.326 1.00 0.00 H new ATOM 0 HA ALA A 546 -3.343 8.288 6.994 1.00 0.00 H new ATOM 0 HB1 ALA A 546 -3.071 6.846 5.000 1.00 0.00 H new ATOM 0 HB2 ALA A 546 -2.044 6.306 6.350 1.00 0.00 H new ATOM 0 HB3 ALA A 546 -3.547 5.432 5.970 1.00 0.00 H new ATOM 689 N PHE A 547 -6.098 6.576 6.669 1.00 0.00 N ATOM 690 CA PHE A 547 -7.498 6.698 6.311 1.00 0.00 C ATOM 691 C PHE A 547 -8.146 7.773 7.172 1.00 0.00 C ATOM 692 O PHE A 547 -9.254 8.237 6.901 1.00 0.00 O ATOM 693 CB PHE A 547 -8.198 5.354 6.470 1.00 0.00 C ATOM 694 CG PHE A 547 -7.433 4.229 5.833 1.00 0.00 C ATOM 695 CD1 PHE A 547 -6.828 4.397 4.591 1.00 0.00 C ATOM 696 CD2 PHE A 547 -7.317 3.005 6.469 1.00 0.00 C ATOM 697 CE1 PHE A 547 -6.128 3.361 4.006 1.00 0.00 C ATOM 698 CE2 PHE A 547 -6.618 1.967 5.886 1.00 0.00 C ATOM 699 CZ PHE A 547 -6.024 2.146 4.653 1.00 0.00 C ATOM 0 H PHE A 547 -5.852 5.691 7.113 1.00 0.00 H new ATOM 0 HA PHE A 547 -7.589 6.994 5.266 1.00 0.00 H new ATOM 0 HB2 PHE A 547 -8.334 5.142 7.530 1.00 0.00 H new ATOM 0 HB3 PHE A 547 -9.192 5.411 6.026 1.00 0.00 H new ATOM 0 HD1 PHE A 547 -6.907 5.346 4.081 1.00 0.00 H new ATOM 0 HD2 PHE A 547 -7.779 2.860 7.434 1.00 0.00 H new ATOM 0 HE1 PHE A 547 -5.662 3.501 3.042 1.00 0.00 H new ATOM 0 HE2 PHE A 547 -6.536 1.017 6.393 1.00 0.00 H new ATOM 0 HZ PHE A 547 -5.478 1.335 4.194 1.00 0.00 H new ATOM 709 N ARG A 548 -7.430 8.149 8.219 1.00 0.00 N ATOM 710 CA ARG A 548 -7.908 9.138 9.168 1.00 0.00 C ATOM 711 C ARG A 548 -7.468 10.528 8.714 1.00 0.00 C ATOM 712 O ARG A 548 -7.922 11.547 9.237 1.00 0.00 O ATOM 713 CB ARG A 548 -7.344 8.826 10.559 1.00 0.00 C ATOM 714 CG ARG A 548 -7.859 9.730 11.667 1.00 0.00 C ATOM 715 CD ARG A 548 -7.136 9.472 12.980 1.00 0.00 C ATOM 716 NE ARG A 548 -7.290 8.091 13.432 1.00 0.00 N ATOM 717 CZ ARG A 548 -6.706 7.595 14.524 1.00 0.00 C ATOM 718 NH1 ARG A 548 -5.904 8.354 15.264 1.00 0.00 N1+ ATOM 719 NH2 ARG A 548 -6.912 6.332 14.868 1.00 0.00 N ATOM 0 H ARG A 548 -6.504 7.778 8.434 1.00 0.00 H new ATOM 0 HA ARG A 548 -8.997 9.110 9.216 1.00 0.00 H new ATOM 0 HB2 ARG A 548 -7.583 7.793 10.810 1.00 0.00 H new ATOM 0 HB3 ARG A 548 -6.257 8.902 10.522 1.00 0.00 H new ATOM 0 HG2 ARG A 548 -7.728 10.773 11.377 1.00 0.00 H new ATOM 0 HG3 ARG A 548 -8.929 9.569 11.802 1.00 0.00 H new ATOM 0 HD2 ARG A 548 -6.076 9.697 12.860 1.00 0.00 H new ATOM 0 HD3 ARG A 548 -7.521 10.148 13.744 1.00 0.00 H new ATOM 0 HE ARG A 548 -7.880 7.469 12.879 1.00 0.00 H new ATOM 0 HH11 ARG A 548 -5.731 9.324 14.998 1.00 0.00 H new ATOM 0 HH12 ARG A 548 -5.461 7.967 16.097 1.00 0.00 H new ATOM 0 HH21 ARG A 548 -7.516 5.740 14.298 1.00 0.00 H new ATOM 0 HH22 ARG A 548 -6.466 5.952 15.703 1.00 0.00 H new ATOM 733 N ALA A 549 -6.587 10.553 7.719 1.00 0.00 N ATOM 734 CA ALA A 549 -6.018 11.798 7.231 1.00 0.00 C ATOM 735 C ALA A 549 -6.757 12.291 5.993 1.00 0.00 C ATOM 736 O ALA A 549 -6.825 13.494 5.731 1.00 0.00 O ATOM 737 CB ALA A 549 -4.538 11.611 6.923 1.00 0.00 C ATOM 0 H ALA A 549 -6.252 9.720 7.235 1.00 0.00 H new ATOM 0 HA ALA A 549 -6.127 12.552 8.011 1.00 0.00 H new ATOM 0 HB1 ALA A 549 -4.121 12.550 6.558 1.00 0.00 H new ATOM 0 HB2 ALA A 549 -4.013 11.309 7.829 1.00 0.00 H new ATOM 0 HB3 ALA A 549 -4.419 10.841 6.161 1.00 0.00 H new ATOM 743 N LEU A 550 -7.307 11.353 5.233 1.00 0.00 N ATOM 744 CA LEU A 550 -8.020 11.682 4.006 1.00 0.00 C ATOM 745 C LEU A 550 -9.423 12.189 4.309 1.00 0.00 C ATOM 746 O LEU A 550 -10.097 11.689 5.214 1.00 0.00 O ATOM 747 CB LEU A 550 -8.065 10.466 3.072 1.00 0.00 C ATOM 748 CG LEU A 550 -6.964 10.444 2.005 1.00 0.00 C ATOM 749 CD1 LEU A 550 -5.584 10.526 2.642 1.00 0.00 C ATOM 750 CD2 LEU A 550 -7.083 9.206 1.131 1.00 0.00 C ATOM 0 H LEU A 550 -7.273 10.356 5.445 1.00 0.00 H new ATOM 0 HA LEU A 550 -7.481 12.483 3.501 1.00 0.00 H new ATOM 0 HB2 LEU A 550 -7.990 9.559 3.672 1.00 0.00 H new ATOM 0 HB3 LEU A 550 -9.035 10.440 2.576 1.00 0.00 H new ATOM 0 HG LEU A 550 -7.094 11.321 1.371 1.00 0.00 H new ATOM 0 HD11 LEU A 550 -4.822 10.508 1.863 1.00 0.00 H new ATOM 0 HD12 LEU A 550 -5.500 11.452 3.211 1.00 0.00 H new ATOM 0 HD13 LEU A 550 -5.440 9.676 3.309 1.00 0.00 H new ATOM 0 HD21 LEU A 550 -6.292 9.212 0.382 1.00 0.00 H new ATOM 0 HD22 LEU A 550 -6.990 8.313 1.750 1.00 0.00 H new ATOM 0 HD23 LEU A 550 -8.053 9.203 0.634 1.00 0.00 H new ATOM 762 N PRO A 551 -9.872 13.209 3.559 1.00 0.00 N ATOM 763 CA PRO A 551 -11.188 13.813 3.756 1.00 0.00 C ATOM 764 C PRO A 551 -12.317 12.824 3.491 1.00 0.00 C ATOM 765 O PRO A 551 -12.293 12.102 2.490 1.00 0.00 O ATOM 766 CB PRO A 551 -11.229 14.958 2.735 1.00 0.00 C ATOM 767 CG PRO A 551 -10.183 14.628 1.727 1.00 0.00 C ATOM 768 CD PRO A 551 -9.128 13.846 2.456 1.00 0.00 C ATOM 0 HA PRO A 551 -11.328 14.147 4.784 1.00 0.00 H new ATOM 0 HB2 PRO A 551 -12.212 15.035 2.270 1.00 0.00 H new ATOM 0 HB3 PRO A 551 -11.026 15.917 3.212 1.00 0.00 H new ATOM 0 HG2 PRO A 551 -10.603 14.045 0.907 1.00 0.00 H new ATOM 0 HG3 PRO A 551 -9.763 15.535 1.291 1.00 0.00 H new ATOM 0 HD2 PRO A 551 -8.658 13.106 1.809 1.00 0.00 H new ATOM 0 HD3 PRO A 551 -8.334 14.493 2.829 1.00 0.00 H new ATOM 776 N PRO A 552 -13.319 12.777 4.386 1.00 0.00 N ATOM 777 CA PRO A 552 -14.473 11.882 4.252 1.00 0.00 C ATOM 778 C PRO A 552 -15.115 11.959 2.871 1.00 0.00 C ATOM 779 O PRO A 552 -15.475 10.937 2.297 1.00 0.00 O ATOM 780 CB PRO A 552 -15.440 12.385 5.326 1.00 0.00 C ATOM 781 CG PRO A 552 -14.560 12.990 6.361 1.00 0.00 C ATOM 782 CD PRO A 552 -13.398 13.591 5.614 1.00 0.00 C ATOM 0 HA PRO A 552 -14.192 10.836 4.371 1.00 0.00 H new ATOM 0 HB2 PRO A 552 -16.138 13.117 4.921 1.00 0.00 H new ATOM 0 HB3 PRO A 552 -16.036 11.570 5.738 1.00 0.00 H new ATOM 0 HG2 PRO A 552 -15.093 13.751 6.931 1.00 0.00 H new ATOM 0 HG3 PRO A 552 -14.220 12.238 7.073 1.00 0.00 H new ATOM 0 HD2 PRO A 552 -13.568 14.644 5.387 1.00 0.00 H new ATOM 0 HD3 PRO A 552 -12.476 13.534 6.193 1.00 0.00 H new ATOM 790 N ARG A 553 -15.235 13.171 2.332 1.00 0.00 N ATOM 791 CA ARG A 553 -15.804 13.363 1.000 1.00 0.00 C ATOM 792 C ARG A 553 -15.021 12.565 -0.044 1.00 0.00 C ATOM 793 O ARG A 553 -15.603 11.840 -0.844 1.00 0.00 O ATOM 794 CB ARG A 553 -15.817 14.848 0.620 1.00 0.00 C ATOM 795 CG ARG A 553 -16.289 15.100 -0.802 1.00 0.00 C ATOM 796 CD ARG A 553 -16.292 16.581 -1.141 1.00 0.00 C ATOM 797 NE ARG A 553 -17.348 17.308 -0.437 1.00 0.00 N ATOM 798 CZ ARG A 553 -17.190 18.513 0.110 1.00 0.00 C ATOM 799 NH1 ARG A 553 -15.983 19.068 0.172 1.00 0.00 N1+ ATOM 800 NH2 ARG A 553 -18.236 19.148 0.624 1.00 0.00 N ATOM 0 H ARG A 553 -14.947 14.032 2.796 1.00 0.00 H new ATOM 0 HA ARG A 553 -16.831 13.000 1.022 1.00 0.00 H new ATOM 0 HB2 ARG A 553 -16.465 15.387 1.311 1.00 0.00 H new ATOM 0 HB3 ARG A 553 -14.813 15.255 0.740 1.00 0.00 H new ATOM 0 HG2 ARG A 553 -15.641 14.569 -1.500 1.00 0.00 H new ATOM 0 HG3 ARG A 553 -17.293 14.696 -0.929 1.00 0.00 H new ATOM 0 HD2 ARG A 553 -15.324 17.012 -0.885 1.00 0.00 H new ATOM 0 HD3 ARG A 553 -16.422 16.705 -2.216 1.00 0.00 H new ATOM 0 HE ARG A 553 -18.263 16.865 -0.360 1.00 0.00 H new ATOM 0 HH11 ARG A 553 -15.174 18.571 -0.200 1.00 0.00 H new ATOM 0 HH12 ARG A 553 -15.867 19.990 0.592 1.00 0.00 H new ATOM 0 HH21 ARG A 553 -19.159 18.714 0.600 1.00 0.00 H new ATOM 0 HH22 ARG A 553 -18.117 20.070 1.043 1.00 0.00 H new ATOM 814 N GLU A 554 -13.700 12.679 -0.002 1.00 0.00 N ATOM 815 CA GLU A 554 -12.842 12.006 -0.969 1.00 0.00 C ATOM 816 C GLU A 554 -12.913 10.493 -0.788 1.00 0.00 C ATOM 817 O GLU A 554 -13.074 9.744 -1.752 1.00 0.00 O ATOM 818 CB GLU A 554 -11.394 12.484 -0.806 1.00 0.00 C ATOM 819 CG GLU A 554 -10.432 11.950 -1.855 1.00 0.00 C ATOM 820 CD GLU A 554 -9.062 12.594 -1.765 1.00 0.00 C ATOM 821 OE1 GLU A 554 -8.266 12.208 -0.886 1.00 0.00 O1- ATOM 822 OE2 GLU A 554 -8.773 13.499 -2.579 1.00 0.00 O ATOM 0 H GLU A 554 -13.198 13.232 0.693 1.00 0.00 H new ATOM 0 HA GLU A 554 -13.191 12.253 -1.972 1.00 0.00 H new ATOM 0 HB2 GLU A 554 -11.379 13.573 -0.838 1.00 0.00 H new ATOM 0 HB3 GLU A 554 -11.036 12.189 0.180 1.00 0.00 H new ATOM 0 HG2 GLU A 554 -10.332 10.871 -1.736 1.00 0.00 H new ATOM 0 HG3 GLU A 554 -10.848 12.124 -2.847 1.00 0.00 H new ATOM 829 N TRP A 555 -12.817 10.056 0.457 1.00 0.00 N ATOM 830 CA TRP A 555 -12.726 8.638 0.764 1.00 0.00 C ATOM 831 C TRP A 555 -14.037 7.908 0.555 1.00 0.00 C ATOM 832 O TRP A 555 -14.059 6.791 0.043 1.00 0.00 O ATOM 833 CB TRP A 555 -12.270 8.447 2.193 1.00 0.00 C ATOM 834 CG TRP A 555 -11.093 7.553 2.259 1.00 0.00 C ATOM 835 CD1 TRP A 555 -9.830 7.862 1.880 1.00 0.00 C ATOM 836 CD2 TRP A 555 -11.064 6.193 2.687 1.00 0.00 C ATOM 837 NE1 TRP A 555 -9.011 6.784 2.054 1.00 0.00 N ATOM 838 CE2 TRP A 555 -9.742 5.751 2.541 1.00 0.00 C ATOM 839 CE3 TRP A 555 -12.019 5.305 3.183 1.00 0.00 C ATOM 840 CZ2 TRP A 555 -9.343 4.478 2.865 1.00 0.00 C ATOM 841 CZ3 TRP A 555 -11.615 4.025 3.506 1.00 0.00 C ATOM 842 CH2 TRP A 555 -10.284 3.628 3.339 1.00 0.00 C ATOM 0 H TRP A 555 -12.800 10.666 1.275 1.00 0.00 H new ATOM 0 HA TRP A 555 -11.999 8.212 0.073 1.00 0.00 H new ATOM 0 HB2 TRP A 555 -12.022 9.414 2.632 1.00 0.00 H new ATOM 0 HB3 TRP A 555 -13.083 8.028 2.785 1.00 0.00 H new ATOM 0 HD1 TRP A 555 -9.517 8.822 1.496 1.00 0.00 H new ATOM 0 HE1 TRP A 555 -8.012 6.759 1.851 1.00 0.00 H new ATOM 0 HE3 TRP A 555 -13.047 5.611 3.311 1.00 0.00 H new ATOM 0 HZ2 TRP A 555 -8.316 4.166 2.746 1.00 0.00 H new ATOM 0 HZ3 TRP A 555 -12.336 3.321 3.893 1.00 0.00 H new ATOM 0 HH2 TRP A 555 -10.000 2.618 3.595 1.00 0.00 H new ATOM 853 N SER A 556 -15.117 8.531 0.978 1.00 0.00 N ATOM 854 CA SER A 556 -16.449 7.940 0.820 1.00 0.00 C ATOM 855 C SER A 556 -16.741 7.593 -0.643 1.00 0.00 C ATOM 856 O SER A 556 -17.534 6.696 -0.929 1.00 0.00 O ATOM 857 CB SER A 556 -17.531 8.877 1.358 1.00 0.00 C ATOM 858 OG SER A 556 -17.440 10.155 0.757 1.00 0.00 O ATOM 0 H SER A 556 -15.109 9.444 1.434 1.00 0.00 H new ATOM 0 HA SER A 556 -16.461 7.017 1.399 1.00 0.00 H new ATOM 0 HB2 SER A 556 -18.515 8.450 1.166 1.00 0.00 H new ATOM 0 HB3 SER A 556 -17.430 8.972 2.439 1.00 0.00 H new ATOM 0 HG SER A 556 -16.601 10.584 1.026 1.00 0.00 H new ATOM 864 N ARG A 557 -16.096 8.302 -1.565 1.00 0.00 N ATOM 865 CA ARG A 557 -16.267 8.021 -2.985 1.00 0.00 C ATOM 866 C ARG A 557 -15.576 6.707 -3.343 1.00 0.00 C ATOM 867 O ARG A 557 -16.072 5.935 -4.162 1.00 0.00 O ATOM 868 CB ARG A 557 -15.702 9.151 -3.856 1.00 0.00 C ATOM 869 CG ARG A 557 -16.273 10.537 -3.567 1.00 0.00 C ATOM 870 CD ARG A 557 -17.795 10.543 -3.510 1.00 0.00 C ATOM 871 NE ARG A 557 -18.290 10.494 -2.134 1.00 0.00 N ATOM 872 CZ ARG A 557 -19.524 10.843 -1.766 1.00 0.00 C ATOM 873 NH1 ARG A 557 -20.414 11.217 -2.678 1.00 0.00 N1+ ATOM 874 NH2 ARG A 557 -19.853 10.818 -0.481 1.00 0.00 N ATOM 0 H ARG A 557 -15.456 9.068 -1.356 1.00 0.00 H new ATOM 0 HA ARG A 557 -17.336 7.943 -3.181 1.00 0.00 H new ATOM 0 HB2 ARG A 557 -14.621 9.185 -3.723 1.00 0.00 H new ATOM 0 HB3 ARG A 557 -15.887 8.910 -4.903 1.00 0.00 H new ATOM 0 HG2 ARG A 557 -15.876 10.899 -2.619 1.00 0.00 H new ATOM 0 HG3 ARG A 557 -15.939 11.231 -4.338 1.00 0.00 H new ATOM 0 HD2 ARG A 557 -18.173 11.440 -4.000 1.00 0.00 H new ATOM 0 HD3 ARG A 557 -18.182 9.689 -4.066 1.00 0.00 H new ATOM 0 HE ARG A 557 -17.650 10.172 -1.408 1.00 0.00 H new ATOM 0 HH11 ARG A 557 -20.155 11.238 -3.664 1.00 0.00 H new ATOM 0 HH12 ARG A 557 -21.356 11.483 -2.392 1.00 0.00 H new ATOM 0 HH21 ARG A 557 -19.165 10.534 0.216 1.00 0.00 H new ATOM 0 HH22 ARG A 557 -20.794 11.083 -0.190 1.00 0.00 H new ATOM 888 N LEU A 558 -14.442 6.446 -2.693 1.00 0.00 N ATOM 889 CA LEU A 558 -13.650 5.253 -2.976 1.00 0.00 C ATOM 890 C LEU A 558 -14.395 4.003 -2.516 1.00 0.00 C ATOM 891 O LEU A 558 -14.553 3.055 -3.274 1.00 0.00 O ATOM 892 CB LEU A 558 -12.283 5.333 -2.284 1.00 0.00 C ATOM 893 CG LEU A 558 -11.578 6.690 -2.379 1.00 0.00 C ATOM 894 CD1 LEU A 558 -10.312 6.698 -1.530 1.00 0.00 C ATOM 895 CD2 LEU A 558 -11.249 7.013 -3.828 1.00 0.00 C ATOM 0 H LEU A 558 -14.052 7.046 -1.966 1.00 0.00 H new ATOM 0 HA LEU A 558 -13.491 5.196 -4.053 1.00 0.00 H new ATOM 0 HB2 LEU A 558 -12.412 5.082 -1.231 1.00 0.00 H new ATOM 0 HB3 LEU A 558 -11.631 4.573 -2.715 1.00 0.00 H new ATOM 0 HG LEU A 558 -12.251 7.457 -1.996 1.00 0.00 H new ATOM 0 HD11 LEU A 558 -9.826 7.670 -1.611 1.00 0.00 H new ATOM 0 HD12 LEU A 558 -10.571 6.507 -0.489 1.00 0.00 H new ATOM 0 HD13 LEU A 558 -9.632 5.922 -1.883 1.00 0.00 H new ATOM 0 HD21 LEU A 558 -10.748 7.980 -3.881 1.00 0.00 H new ATOM 0 HD22 LEU A 558 -10.593 6.242 -4.233 1.00 0.00 H new ATOM 0 HD23 LEU A 558 -12.169 7.049 -4.411 1.00 0.00 H new ATOM 907 N LEU A 559 -14.865 4.020 -1.271 1.00 0.00 N ATOM 908 CA LEU A 559 -15.633 2.917 -0.706 1.00 0.00 C ATOM 909 C LEU A 559 -17.028 2.807 -1.332 1.00 0.00 C ATOM 910 O LEU A 559 -17.820 1.944 -0.953 1.00 0.00 O ATOM 911 CB LEU A 559 -15.755 3.126 0.804 1.00 0.00 C ATOM 912 CG LEU A 559 -14.600 2.593 1.666 1.00 0.00 C ATOM 913 CD1 LEU A 559 -14.869 1.163 2.105 1.00 0.00 C ATOM 914 CD2 LEU A 559 -13.274 2.651 0.934 1.00 0.00 C ATOM 0 H LEU A 559 -14.724 4.798 -0.627 1.00 0.00 H new ATOM 0 HA LEU A 559 -15.108 1.986 -0.923 1.00 0.00 H new ATOM 0 HB2 LEU A 559 -15.857 4.195 0.993 1.00 0.00 H new ATOM 0 HB3 LEU A 559 -16.678 2.653 1.140 1.00 0.00 H new ATOM 0 HG LEU A 559 -14.538 3.238 2.542 1.00 0.00 H new ATOM 0 HD11 LEU A 559 -14.038 0.807 2.714 1.00 0.00 H new ATOM 0 HD12 LEU A 559 -15.788 1.129 2.690 1.00 0.00 H new ATOM 0 HD13 LEU A 559 -14.974 0.526 1.227 1.00 0.00 H new ATOM 0 HD21 LEU A 559 -12.485 2.265 1.579 1.00 0.00 H new ATOM 0 HD22 LEU A 559 -13.331 2.046 0.029 1.00 0.00 H new ATOM 0 HD23 LEU A 559 -13.051 3.684 0.666 1.00 0.00 H new ATOM 926 N GLY A 560 -17.324 3.686 -2.281 1.00 0.00 N ATOM 927 CA GLY A 560 -18.600 3.640 -2.967 1.00 0.00 C ATOM 928 C GLY A 560 -18.641 2.552 -4.022 1.00 0.00 C ATOM 929 O GLY A 560 -19.607 1.788 -4.102 1.00 0.00 O ATOM 0 H GLY A 560 -16.700 4.432 -2.588 1.00 0.00 H new ATOM 0 HA2 GLY A 560 -19.395 3.471 -2.241 1.00 0.00 H new ATOM 0 HA3 GLY A 560 -18.795 4.605 -3.434 1.00 0.00 H new ATOM 933 N ASP A 561 -17.589 2.479 -4.829 1.00 0.00 N ATOM 934 CA ASP A 561 -17.492 1.478 -5.882 1.00 0.00 C ATOM 935 C ASP A 561 -16.203 0.688 -5.734 1.00 0.00 C ATOM 936 O ASP A 561 -15.161 1.245 -5.393 1.00 0.00 O ATOM 937 CB ASP A 561 -17.539 2.137 -7.258 1.00 0.00 C ATOM 938 CG ASP A 561 -17.421 1.129 -8.385 1.00 0.00 C ATOM 939 OD1 ASP A 561 -18.396 0.393 -8.641 1.00 0.00 O1- ATOM 940 OD2 ASP A 561 -16.341 1.056 -9.005 1.00 0.00 O ATOM 0 H ASP A 561 -16.787 3.106 -4.772 1.00 0.00 H new ATOM 0 HA ASP A 561 -18.341 0.801 -5.791 1.00 0.00 H new ATOM 0 HB2 ASP A 561 -18.474 2.687 -7.363 1.00 0.00 H new ATOM 0 HB3 ASP A 561 -16.731 2.864 -7.338 1.00 0.00 H new ATOM 945 N ALA A 562 -16.273 -0.600 -6.016 1.00 0.00 N ATOM 946 CA ALA A 562 -15.149 -1.496 -5.791 1.00 0.00 C ATOM 947 C ALA A 562 -14.049 -1.255 -6.808 1.00 0.00 C ATOM 948 O ALA A 562 -12.867 -1.263 -6.471 1.00 0.00 O ATOM 949 CB ALA A 562 -15.606 -2.943 -5.851 1.00 0.00 C ATOM 0 H ALA A 562 -17.101 -1.053 -6.404 1.00 0.00 H new ATOM 0 HA ALA A 562 -14.749 -1.291 -4.798 1.00 0.00 H new ATOM 0 HB1 ALA A 562 -14.754 -3.601 -5.681 1.00 0.00 H new ATOM 0 HB2 ALA A 562 -16.359 -3.119 -5.083 1.00 0.00 H new ATOM 0 HB3 ALA A 562 -16.033 -3.149 -6.832 1.00 0.00 H new ATOM 955 N LYS A 563 -14.452 -1.020 -8.047 1.00 0.00 N ATOM 956 CA LYS A 563 -13.512 -0.805 -9.133 1.00 0.00 C ATOM 957 C LYS A 563 -12.749 0.489 -8.900 1.00 0.00 C ATOM 958 O LYS A 563 -11.559 0.585 -9.198 1.00 0.00 O ATOM 959 CB LYS A 563 -14.236 -0.742 -10.489 1.00 0.00 C ATOM 960 CG LYS A 563 -15.082 -1.968 -10.836 1.00 0.00 C ATOM 961 CD LYS A 563 -16.363 -2.039 -10.019 1.00 0.00 C ATOM 962 CE LYS A 563 -17.319 -3.095 -10.546 1.00 0.00 C ATOM 963 NZ LYS A 563 -17.871 -2.726 -11.876 1.00 0.00 N1+ ATOM 0 H LYS A 563 -15.432 -0.973 -8.326 1.00 0.00 H new ATOM 0 HA LYS A 563 -12.817 -1.645 -9.155 1.00 0.00 H new ATOM 0 HB2 LYS A 563 -14.880 0.138 -10.498 1.00 0.00 H new ATOM 0 HB3 LYS A 563 -13.492 -0.601 -11.273 1.00 0.00 H new ATOM 0 HG2 LYS A 563 -15.332 -1.945 -11.897 1.00 0.00 H new ATOM 0 HG3 LYS A 563 -14.495 -2.871 -10.666 1.00 0.00 H new ATOM 0 HD2 LYS A 563 -16.118 -2.259 -8.980 1.00 0.00 H new ATOM 0 HD3 LYS A 563 -16.855 -1.066 -10.032 1.00 0.00 H new ATOM 0 HE2 LYS A 563 -16.800 -4.051 -10.620 1.00 0.00 H new ATOM 0 HE3 LYS A 563 -18.137 -3.231 -9.838 1.00 0.00 H new ATOM 0 HZ1 LYS A 563 -18.715 -3.301 -12.073 1.00 0.00 H new ATOM 0 HZ2 LYS A 563 -18.130 -1.719 -11.877 1.00 0.00 H new ATOM 0 HZ3 LYS A 563 -17.155 -2.900 -12.610 1.00 0.00 H new ATOM 977 N GLU A 564 -13.442 1.472 -8.343 1.00 0.00 N ATOM 978 CA GLU A 564 -12.849 2.778 -8.086 1.00 0.00 C ATOM 979 C GLU A 564 -11.912 2.718 -6.887 1.00 0.00 C ATOM 980 O GLU A 564 -10.838 3.325 -6.895 1.00 0.00 O ATOM 981 CB GLU A 564 -13.936 3.825 -7.860 1.00 0.00 C ATOM 982 CG GLU A 564 -14.910 3.941 -9.020 1.00 0.00 C ATOM 983 CD GLU A 564 -14.235 4.284 -10.333 1.00 0.00 C ATOM 984 OE1 GLU A 564 -13.757 3.360 -11.027 1.00 0.00 O1- ATOM 985 OE2 GLU A 564 -14.194 5.481 -10.686 1.00 0.00 O ATOM 0 H GLU A 564 -14.418 1.390 -8.059 1.00 0.00 H new ATOM 0 HA GLU A 564 -12.268 3.066 -8.962 1.00 0.00 H new ATOM 0 HB2 GLU A 564 -14.489 3.575 -6.954 1.00 0.00 H new ATOM 0 HB3 GLU A 564 -13.467 4.794 -7.690 1.00 0.00 H new ATOM 0 HG2 GLU A 564 -15.448 2.999 -9.130 1.00 0.00 H new ATOM 0 HG3 GLU A 564 -15.651 4.706 -8.789 1.00 0.00 H new ATOM 992 N LEU A 565 -12.316 1.981 -5.859 1.00 0.00 N ATOM 993 CA LEU A 565 -11.476 1.782 -4.697 1.00 0.00 C ATOM 994 C LEU A 565 -10.240 0.994 -5.093 1.00 0.00 C ATOM 995 O LEU A 565 -9.121 1.325 -4.696 1.00 0.00 O ATOM 996 CB LEU A 565 -12.249 1.037 -3.614 1.00 0.00 C ATOM 997 CG LEU A 565 -11.480 0.797 -2.324 1.00 0.00 C ATOM 998 CD1 LEU A 565 -10.952 2.108 -1.777 1.00 0.00 C ATOM 999 CD2 LEU A 565 -12.371 0.111 -1.311 1.00 0.00 C ATOM 0 H LEU A 565 -13.221 1.514 -5.812 1.00 0.00 H new ATOM 0 HA LEU A 565 -11.172 2.752 -4.303 1.00 0.00 H new ATOM 0 HB2 LEU A 565 -13.153 1.600 -3.381 1.00 0.00 H new ATOM 0 HB3 LEU A 565 -12.568 0.074 -4.014 1.00 0.00 H new ATOM 0 HG LEU A 565 -10.630 0.148 -2.532 1.00 0.00 H new ATOM 0 HD11 LEU A 565 -10.404 1.922 -0.854 1.00 0.00 H new ATOM 0 HD12 LEU A 565 -10.286 2.566 -2.509 1.00 0.00 H new ATOM 0 HD13 LEU A 565 -11.786 2.780 -1.575 1.00 0.00 H new ATOM 0 HD21 LEU A 565 -11.813 -0.057 -0.390 1.00 0.00 H new ATOM 0 HD22 LEU A 565 -13.236 0.741 -1.101 1.00 0.00 H new ATOM 0 HD23 LEU A 565 -12.708 -0.845 -1.711 1.00 0.00 H new ATOM 1011 N ALA A 566 -10.465 -0.045 -5.890 1.00 0.00 N ATOM 1012 CA ALA A 566 -9.389 -0.852 -6.430 1.00 0.00 C ATOM 1013 C ALA A 566 -8.405 0.019 -7.187 1.00 0.00 C ATOM 1014 O ALA A 566 -7.201 -0.153 -7.066 1.00 0.00 O ATOM 1015 CB ALA A 566 -9.948 -1.935 -7.341 1.00 0.00 C ATOM 0 H ALA A 566 -11.396 -0.347 -6.176 1.00 0.00 H new ATOM 0 HA ALA A 566 -8.864 -1.330 -5.603 1.00 0.00 H new ATOM 0 HB1 ALA A 566 -9.129 -2.534 -7.740 1.00 0.00 H new ATOM 0 HB2 ALA A 566 -10.623 -2.576 -6.773 1.00 0.00 H new ATOM 0 HB3 ALA A 566 -10.493 -1.473 -8.164 1.00 0.00 H new ATOM 1021 N ASN A 567 -8.935 0.967 -7.950 1.00 0.00 N ATOM 1022 CA ASN A 567 -8.120 1.874 -8.751 1.00 0.00 C ATOM 1023 C ASN A 567 -7.063 2.572 -7.892 1.00 0.00 C ATOM 1024 O ASN A 567 -5.880 2.543 -8.220 1.00 0.00 O ATOM 1025 CB ASN A 567 -9.017 2.905 -9.442 1.00 0.00 C ATOM 1026 CG ASN A 567 -8.262 3.812 -10.393 1.00 0.00 C ATOM 1027 OD1 ASN A 567 -7.225 3.438 -10.939 1.00 0.00 O ATOM 1028 ND2 ASN A 567 -8.794 5.002 -10.624 1.00 0.00 N ATOM 0 H ASN A 567 -9.939 1.129 -8.031 1.00 0.00 H new ATOM 0 HA ASN A 567 -7.598 1.290 -9.509 1.00 0.00 H new ATOM 0 HB2 ASN A 567 -9.801 2.384 -9.992 1.00 0.00 H new ATOM 0 HB3 ASN A 567 -9.510 3.514 -8.684 1.00 0.00 H new ATOM 0 HD21 ASN A 567 -8.342 5.645 -11.274 1.00 0.00 H new ATOM 0 HD22 ASN A 567 -9.656 5.276 -10.152 1.00 0.00 H new ATOM 1035 N ILE A 568 -7.488 3.177 -6.785 1.00 0.00 N ATOM 1036 CA ILE A 568 -6.568 3.862 -5.882 1.00 0.00 C ATOM 1037 C ILE A 568 -5.636 2.871 -5.206 1.00 0.00 C ATOM 1038 O ILE A 568 -4.417 3.023 -5.248 1.00 0.00 O ATOM 1039 CB ILE A 568 -7.331 4.644 -4.797 1.00 0.00 C ATOM 1040 CG1 ILE A 568 -8.360 5.560 -5.452 1.00 0.00 C ATOM 1041 CG2 ILE A 568 -6.366 5.447 -3.918 1.00 0.00 C ATOM 1042 CD1 ILE A 568 -7.746 6.695 -6.233 1.00 0.00 C ATOM 0 H ILE A 568 -8.465 3.206 -6.492 1.00 0.00 H new ATOM 0 HA ILE A 568 -5.986 4.559 -6.485 1.00 0.00 H new ATOM 0 HB ILE A 568 -7.850 3.935 -4.152 1.00 0.00 H new ATOM 0 HG12 ILE A 568 -8.988 4.969 -6.119 1.00 0.00 H new ATOM 0 HG13 ILE A 568 -9.012 5.971 -4.681 1.00 0.00 H new ATOM 0 HG21 ILE A 568 -6.930 5.990 -3.160 1.00 0.00 H new ATOM 0 HG22 ILE A 568 -5.666 4.768 -3.432 1.00 0.00 H new ATOM 0 HG23 ILE A 568 -5.814 6.155 -4.536 1.00 0.00 H new ATOM 0 HD11 ILE A 568 -8.536 7.305 -6.671 1.00 0.00 H new ATOM 0 HD12 ILE A 568 -7.140 7.309 -5.567 1.00 0.00 H new ATOM 0 HD13 ILE A 568 -7.117 6.292 -7.027 1.00 0.00 H new ATOM 1054 N LEU A 569 -6.226 1.850 -4.593 1.00 0.00 N ATOM 1055 CA LEU A 569 -5.468 0.843 -3.858 1.00 0.00 C ATOM 1056 C LEU A 569 -4.442 0.130 -4.752 1.00 0.00 C ATOM 1057 O LEU A 569 -3.436 -0.390 -4.270 1.00 0.00 O ATOM 1058 CB LEU A 569 -6.437 -0.167 -3.242 1.00 0.00 C ATOM 1059 CG LEU A 569 -5.827 -1.133 -2.228 1.00 0.00 C ATOM 1060 CD1 LEU A 569 -5.247 -0.374 -1.043 1.00 0.00 C ATOM 1061 CD2 LEU A 569 -6.874 -2.129 -1.758 1.00 0.00 C ATOM 0 H LEU A 569 -7.235 1.697 -4.591 1.00 0.00 H new ATOM 0 HA LEU A 569 -4.907 1.345 -3.069 1.00 0.00 H new ATOM 0 HB2 LEU A 569 -7.244 0.381 -2.755 1.00 0.00 H new ATOM 0 HB3 LEU A 569 -6.887 -0.749 -4.046 1.00 0.00 H new ATOM 0 HG LEU A 569 -5.017 -1.678 -2.714 1.00 0.00 H new ATOM 0 HD11 LEU A 569 -4.818 -1.081 -0.333 1.00 0.00 H new ATOM 0 HD12 LEU A 569 -4.470 0.307 -1.392 1.00 0.00 H new ATOM 0 HD13 LEU A 569 -6.037 0.196 -0.554 1.00 0.00 H new ATOM 0 HD21 LEU A 569 -6.428 -2.812 -1.036 1.00 0.00 H new ATOM 0 HD22 LEU A 569 -7.700 -1.594 -1.289 1.00 0.00 H new ATOM 0 HD23 LEU A 569 -7.246 -2.696 -2.612 1.00 0.00 H new ATOM 1073 N LYS A 570 -4.693 0.113 -6.057 1.00 0.00 N ATOM 1074 CA LYS A 570 -3.766 -0.503 -7.006 1.00 0.00 C ATOM 1075 C LYS A 570 -2.483 0.312 -7.149 1.00 0.00 C ATOM 1076 O LYS A 570 -1.464 -0.196 -7.619 1.00 0.00 O ATOM 1077 CB LYS A 570 -4.425 -0.677 -8.376 1.00 0.00 C ATOM 1078 CG LYS A 570 -5.296 -1.916 -8.484 1.00 0.00 C ATOM 1079 CD LYS A 570 -6.001 -1.987 -9.828 1.00 0.00 C ATOM 1080 CE LYS A 570 -6.790 -3.277 -9.979 1.00 0.00 C ATOM 1081 NZ LYS A 570 -7.465 -3.363 -11.301 1.00 0.00 N1+ ATOM 0 H LYS A 570 -5.527 0.517 -6.483 1.00 0.00 H new ATOM 0 HA LYS A 570 -3.505 -1.484 -6.609 1.00 0.00 H new ATOM 0 HB2 LYS A 570 -5.032 0.202 -8.591 1.00 0.00 H new ATOM 0 HB3 LYS A 570 -3.648 -0.723 -9.139 1.00 0.00 H new ATOM 0 HG2 LYS A 570 -4.682 -2.806 -8.347 1.00 0.00 H new ATOM 0 HG3 LYS A 570 -6.036 -1.912 -7.684 1.00 0.00 H new ATOM 0 HD2 LYS A 570 -6.673 -1.135 -9.933 1.00 0.00 H new ATOM 0 HD3 LYS A 570 -5.266 -1.914 -10.629 1.00 0.00 H new ATOM 0 HE2 LYS A 570 -6.120 -4.128 -9.857 1.00 0.00 H new ATOM 0 HE3 LYS A 570 -7.535 -3.342 -9.186 1.00 0.00 H new ATOM 0 HZ1 LYS A 570 -7.992 -4.257 -11.364 1.00 0.00 H new ATOM 0 HZ2 LYS A 570 -8.123 -2.565 -11.407 1.00 0.00 H new ATOM 0 HZ3 LYS A 570 -6.752 -3.327 -12.058 1.00 0.00 H new ATOM 1095 N TYR A 571 -2.520 1.567 -6.738 1.00 0.00 N ATOM 1096 CA TYR A 571 -1.343 2.425 -6.809 1.00 0.00 C ATOM 1097 C TYR A 571 -0.542 2.299 -5.515 1.00 0.00 C ATOM 1098 O TYR A 571 0.394 3.047 -5.255 1.00 0.00 O ATOM 1099 CB TYR A 571 -1.770 3.872 -7.100 1.00 0.00 C ATOM 1100 CG TYR A 571 -0.650 4.895 -7.115 1.00 0.00 C ATOM 1101 CD1 TYR A 571 0.441 4.753 -7.962 1.00 0.00 C ATOM 1102 CD2 TYR A 571 -0.695 6.010 -6.287 1.00 0.00 C ATOM 1103 CE1 TYR A 571 1.455 5.691 -7.983 1.00 0.00 C ATOM 1104 CE2 TYR A 571 0.316 6.954 -6.303 1.00 0.00 C ATOM 1105 CZ TYR A 571 1.387 6.787 -7.152 1.00 0.00 C ATOM 1106 OH TYR A 571 2.393 7.727 -7.172 1.00 0.00 O ATOM 0 H TYR A 571 -3.350 2.017 -6.352 1.00 0.00 H new ATOM 0 HA TYR A 571 -0.694 2.111 -7.627 1.00 0.00 H new ATOM 0 HB2 TYR A 571 -2.273 3.896 -8.067 1.00 0.00 H new ATOM 0 HB3 TYR A 571 -2.503 4.173 -6.352 1.00 0.00 H new ATOM 0 HD1 TYR A 571 0.498 3.895 -8.615 1.00 0.00 H new ATOM 0 HD2 TYR A 571 -1.534 6.142 -5.619 1.00 0.00 H new ATOM 0 HE1 TYR A 571 2.297 5.565 -8.648 1.00 0.00 H new ATOM 0 HE2 TYR A 571 0.266 7.816 -5.654 1.00 0.00 H new ATOM 0 HH TYR A 571 3.206 7.328 -7.547 1.00 0.00 H new ATOM 1116 N HIS A 572 -0.927 1.325 -4.707 1.00 0.00 N ATOM 1117 CA HIS A 572 -0.187 0.978 -3.506 1.00 0.00 C ATOM 1118 C HIS A 572 0.612 -0.295 -3.732 1.00 0.00 C ATOM 1119 O HIS A 572 1.529 -0.617 -2.979 1.00 0.00 O ATOM 1120 CB HIS A 572 -1.148 0.803 -2.329 1.00 0.00 C ATOM 1121 CG HIS A 572 -1.666 2.097 -1.804 1.00 0.00 C ATOM 1122 ND1 HIS A 572 -1.589 2.599 -0.556 1.00 0.00 N flip ATOM 1123 CD2 HIS A 572 -2.286 3.008 -2.620 1.00 0.00 C flip ATOM 1124 CE1 HIS A 572 -2.159 3.842 -0.591 1.00 0.00 C flip ATOM 1125 NE2 HIS A 572 -2.562 4.042 -1.858 1.00 0.00 N flip ATOM 0 H HIS A 572 -1.758 0.755 -4.865 1.00 0.00 H new ATOM 0 HA HIS A 572 0.506 1.786 -3.273 1.00 0.00 H new ATOM 0 HB2 HIS A 572 -1.987 0.182 -2.642 1.00 0.00 H new ATOM 0 HB3 HIS A 572 -0.638 0.270 -1.527 1.00 0.00 H new ATOM 0 HD2 HIS A 572 -2.503 2.898 -3.672 1.00 0.00 H new ATOM 0 HE1 HIS A 572 -2.265 4.528 0.236 1.00 0.00 H new ATOM 0 HE2 HIS A 572 -3.024 4.890 -2.186 1.00 0.00 H new ATOM 1133 N ILE A 573 0.266 -1.005 -4.793 1.00 0.00 N ATOM 1134 CA ILE A 573 0.873 -2.288 -5.090 1.00 0.00 C ATOM 1135 C ILE A 573 1.770 -2.193 -6.316 1.00 0.00 C ATOM 1136 O ILE A 573 1.302 -1.905 -7.416 1.00 0.00 O ATOM 1137 CB ILE A 573 -0.205 -3.360 -5.339 1.00 0.00 C ATOM 1138 CG1 ILE A 573 -1.167 -3.431 -4.147 1.00 0.00 C ATOM 1139 CG2 ILE A 573 0.446 -4.713 -5.602 1.00 0.00 C ATOM 1140 CD1 ILE A 573 -2.354 -4.342 -4.373 1.00 0.00 C ATOM 0 H ILE A 573 -0.439 -0.709 -5.468 1.00 0.00 H new ATOM 0 HA ILE A 573 1.473 -2.573 -4.226 1.00 0.00 H new ATOM 0 HB ILE A 573 -0.781 -3.086 -6.223 1.00 0.00 H new ATOM 0 HG12 ILE A 573 -0.619 -3.775 -3.270 1.00 0.00 H new ATOM 0 HG13 ILE A 573 -1.529 -2.427 -3.924 1.00 0.00 H new ATOM 0 HG21 ILE A 573 -0.327 -5.461 -5.776 1.00 0.00 H new ATOM 0 HG22 ILE A 573 1.088 -4.643 -6.480 1.00 0.00 H new ATOM 0 HG23 ILE A 573 1.044 -5.003 -4.738 1.00 0.00 H new ATOM 0 HD11 ILE A 573 -2.988 -4.340 -3.486 1.00 0.00 H new ATOM 0 HD12 ILE A 573 -2.927 -3.987 -5.230 1.00 0.00 H new ATOM 0 HD13 ILE A 573 -2.003 -5.356 -4.566 1.00 0.00 H new ATOM 1152 N GLY A 574 3.059 -2.413 -6.111 1.00 0.00 N ATOM 1153 CA GLY A 574 4.002 -2.427 -7.206 1.00 0.00 C ATOM 1154 C GLY A 574 4.044 -3.768 -7.904 1.00 0.00 C ATOM 1155 O GLY A 574 3.812 -4.803 -7.280 1.00 0.00 O ATOM 0 H GLY A 574 3.471 -2.584 -5.194 1.00 0.00 H new ATOM 0 HA2 GLY A 574 3.733 -1.653 -7.925 1.00 0.00 H new ATOM 0 HA3 GLY A 574 4.996 -2.183 -6.831 1.00 0.00 H new ATOM 1159 N ASP A 575 4.357 -3.744 -9.194 1.00 0.00 N ATOM 1160 CA ASP A 575 4.336 -4.942 -10.040 1.00 0.00 C ATOM 1161 C ASP A 575 5.420 -5.955 -9.658 1.00 0.00 C ATOM 1162 O ASP A 575 5.296 -7.145 -9.954 1.00 0.00 O ATOM 1163 CB ASP A 575 4.500 -4.536 -11.513 1.00 0.00 C ATOM 1164 CG ASP A 575 4.682 -5.724 -12.443 1.00 0.00 C ATOM 1165 OD1 ASP A 575 3.675 -6.387 -12.774 1.00 0.00 O ATOM 1166 OD2 ASP A 575 5.829 -5.990 -12.862 1.00 0.00 O1- ATOM 0 H ASP A 575 4.633 -2.895 -9.688 1.00 0.00 H new ATOM 0 HA ASP A 575 3.373 -5.430 -9.886 1.00 0.00 H new ATOM 0 HB2 ASP A 575 3.624 -3.968 -11.827 1.00 0.00 H new ATOM 0 HB3 ASP A 575 5.360 -3.873 -11.607 1.00 0.00 H new ATOM 1171 N GLU A 576 6.464 -5.495 -8.986 1.00 0.00 N ATOM 1172 CA GLU A 576 7.609 -6.348 -8.698 1.00 0.00 C ATOM 1173 C GLU A 576 7.959 -6.289 -7.233 1.00 0.00 C ATOM 1174 O GLU A 576 7.278 -5.625 -6.454 1.00 0.00 O ATOM 1175 CB GLU A 576 8.813 -5.920 -9.537 1.00 0.00 C ATOM 1176 CG GLU A 576 9.379 -4.561 -9.147 1.00 0.00 C ATOM 1177 CD GLU A 576 10.617 -4.191 -9.931 1.00 0.00 C ATOM 1178 OE1 GLU A 576 11.487 -5.065 -10.120 1.00 0.00 O1- ATOM 1179 OE2 GLU A 576 10.727 -3.025 -10.364 1.00 0.00 O ATOM 0 H GLU A 576 6.543 -4.542 -8.631 1.00 0.00 H new ATOM 0 HA GLU A 576 7.344 -7.374 -8.953 1.00 0.00 H new ATOM 0 HB2 GLU A 576 9.597 -6.671 -9.441 1.00 0.00 H new ATOM 0 HB3 GLU A 576 8.522 -5.895 -10.587 1.00 0.00 H new ATOM 0 HG2 GLU A 576 8.616 -3.798 -9.301 1.00 0.00 H new ATOM 0 HG3 GLU A 576 9.616 -4.564 -8.083 1.00 0.00 H new ATOM 1186 N ILE A 577 9.012 -7.002 -6.857 1.00 0.00 N ATOM 1187 CA ILE A 577 9.515 -6.932 -5.503 1.00 0.00 C ATOM 1188 C ILE A 577 10.670 -5.936 -5.412 1.00 0.00 C ATOM 1189 O ILE A 577 11.753 -6.172 -5.956 1.00 0.00 O ATOM 1190 CB ILE A 577 9.990 -8.306 -4.965 1.00 0.00 C ATOM 1191 CG1 ILE A 577 8.838 -9.317 -4.962 1.00 0.00 C ATOM 1192 CG2 ILE A 577 10.563 -8.164 -3.559 1.00 0.00 C ATOM 1193 CD1 ILE A 577 7.690 -8.908 -4.074 1.00 0.00 C ATOM 0 H ILE A 577 9.529 -7.631 -7.472 1.00 0.00 H new ATOM 0 HA ILE A 577 8.681 -6.602 -4.884 1.00 0.00 H new ATOM 0 HB ILE A 577 10.774 -8.673 -5.628 1.00 0.00 H new ATOM 0 HG12 ILE A 577 8.473 -9.445 -5.981 1.00 0.00 H new ATOM 0 HG13 ILE A 577 9.215 -10.286 -4.635 1.00 0.00 H new ATOM 0 HG21 ILE A 577 10.891 -9.139 -3.199 1.00 0.00 H new ATOM 0 HG22 ILE A 577 11.412 -7.481 -3.579 1.00 0.00 H new ATOM 0 HG23 ILE A 577 9.796 -7.770 -2.892 1.00 0.00 H new ATOM 0 HD11 ILE A 577 6.908 -9.666 -4.117 1.00 0.00 H new ATOM 0 HD12 ILE A 577 8.042 -8.808 -3.047 1.00 0.00 H new ATOM 0 HD13 ILE A 577 7.289 -7.954 -4.415 1.00 0.00 H new ATOM 1205 N LEU A 578 10.425 -4.821 -4.748 1.00 0.00 N ATOM 1206 CA LEU A 578 11.461 -3.834 -4.496 1.00 0.00 C ATOM 1207 C LEU A 578 11.743 -3.777 -3.006 1.00 0.00 C ATOM 1208 O LEU A 578 11.069 -3.072 -2.256 1.00 0.00 O ATOM 1209 CB LEU A 578 11.032 -2.460 -5.017 1.00 0.00 C ATOM 1210 CG LEU A 578 12.049 -1.329 -4.846 1.00 0.00 C ATOM 1211 CD1 LEU A 578 13.337 -1.645 -5.591 1.00 0.00 C ATOM 1212 CD2 LEU A 578 11.453 -0.019 -5.335 1.00 0.00 C ATOM 0 H LEU A 578 9.510 -4.575 -4.371 1.00 0.00 H new ATOM 0 HA LEU A 578 12.370 -4.122 -5.023 1.00 0.00 H new ATOM 0 HB2 LEU A 578 10.797 -2.553 -6.077 1.00 0.00 H new ATOM 0 HB3 LEU A 578 10.111 -2.173 -4.510 1.00 0.00 H new ATOM 0 HG LEU A 578 12.290 -1.232 -3.787 1.00 0.00 H new ATOM 0 HD11 LEU A 578 14.045 -0.828 -5.456 1.00 0.00 H new ATOM 0 HD12 LEU A 578 13.767 -2.567 -5.199 1.00 0.00 H new ATOM 0 HD13 LEU A 578 13.123 -1.767 -6.653 1.00 0.00 H new ATOM 0 HD21 LEU A 578 12.182 0.781 -5.210 1.00 0.00 H new ATOM 0 HD22 LEU A 578 11.190 -0.110 -6.389 1.00 0.00 H new ATOM 0 HD23 LEU A 578 10.558 0.212 -4.757 1.00 0.00 H new ATOM 1224 N VAL A 579 12.726 -4.549 -2.578 1.00 0.00 N ATOM 1225 CA VAL A 579 13.014 -4.690 -1.163 1.00 0.00 C ATOM 1226 C VAL A 579 13.802 -3.502 -0.628 1.00 0.00 C ATOM 1227 O VAL A 579 14.294 -2.673 -1.389 1.00 0.00 O ATOM 1228 CB VAL A 579 13.781 -5.997 -0.869 1.00 0.00 C ATOM 1229 CG1 VAL A 579 12.895 -7.204 -1.137 1.00 0.00 C ATOM 1230 CG2 VAL A 579 15.057 -6.070 -1.695 1.00 0.00 C ATOM 0 H VAL A 579 13.338 -5.088 -3.191 1.00 0.00 H new ATOM 0 HA VAL A 579 12.052 -4.726 -0.652 1.00 0.00 H new ATOM 0 HB VAL A 579 14.060 -6.003 0.185 1.00 0.00 H new ATOM 0 HG11 VAL A 579 13.451 -8.117 -0.925 1.00 0.00 H new ATOM 0 HG12 VAL A 579 12.014 -7.158 -0.497 1.00 0.00 H new ATOM 0 HG13 VAL A 579 12.584 -7.203 -2.182 1.00 0.00 H new ATOM 0 HG21 VAL A 579 15.582 -6.999 -1.472 1.00 0.00 H new ATOM 0 HG22 VAL A 579 14.806 -6.040 -2.755 1.00 0.00 H new ATOM 0 HG23 VAL A 579 15.698 -5.223 -1.450 1.00 0.00 H new ATOM 1240 N SER A 580 13.899 -3.438 0.691 1.00 0.00 N ATOM 1241 CA SER A 580 14.640 -2.389 1.383 1.00 0.00 C ATOM 1242 C SER A 580 16.074 -2.270 0.866 1.00 0.00 C ATOM 1243 O SER A 580 16.633 -1.180 0.825 1.00 0.00 O ATOM 1244 CB SER A 580 14.644 -2.690 2.877 1.00 0.00 C ATOM 1245 OG SER A 580 13.361 -3.118 3.299 1.00 0.00 O ATOM 0 H SER A 580 13.464 -4.115 1.317 1.00 0.00 H new ATOM 0 HA SER A 580 14.148 -1.435 1.192 1.00 0.00 H new ATOM 0 HB2 SER A 580 15.382 -3.461 3.097 1.00 0.00 H new ATOM 0 HB3 SER A 580 14.938 -1.800 3.433 1.00 0.00 H new ATOM 0 HG SER A 580 13.367 -4.089 3.432 1.00 0.00 H new ATOM 1251 N GLY A 581 16.658 -3.398 0.456 1.00 0.00 N ATOM 1252 CA GLY A 581 18.002 -3.384 -0.097 1.00 0.00 C ATOM 1253 C GLY A 581 18.059 -2.692 -1.446 1.00 0.00 C ATOM 1254 O GLY A 581 19.129 -2.296 -1.907 1.00 0.00 O ATOM 0 H GLY A 581 16.223 -4.319 0.498 1.00 0.00 H new ATOM 0 HA2 GLY A 581 18.674 -2.879 0.597 1.00 0.00 H new ATOM 0 HA3 GLY A 581 18.361 -4.408 -0.200 1.00 0.00 H new ATOM 1258 N GLY A 582 16.899 -2.547 -2.075 1.00 0.00 N ATOM 1259 CA GLY A 582 16.814 -1.866 -3.349 1.00 0.00 C ATOM 1260 C GLY A 582 16.434 -0.409 -3.184 1.00 0.00 C ATOM 1261 O GLY A 582 16.575 0.391 -4.109 1.00 0.00 O ATOM 0 H GLY A 582 16.008 -2.894 -1.719 1.00 0.00 H new ATOM 0 HA2 GLY A 582 17.773 -1.936 -3.863 1.00 0.00 H new ATOM 0 HA3 GLY A 582 16.078 -2.365 -3.979 1.00 0.00 H new ATOM 1265 N ILE A 583 15.938 -0.067 -2.003 1.00 0.00 N ATOM 1266 CA ILE A 583 15.577 1.304 -1.687 1.00 0.00 C ATOM 1267 C ILE A 583 16.835 2.127 -1.428 1.00 0.00 C ATOM 1268 O ILE A 583 17.624 1.810 -0.540 1.00 0.00 O ATOM 1269 CB ILE A 583 14.651 1.356 -0.453 1.00 0.00 C ATOM 1270 CG1 ILE A 583 13.445 0.437 -0.674 1.00 0.00 C ATOM 1271 CG2 ILE A 583 14.193 2.785 -0.161 1.00 0.00 C ATOM 1272 CD1 ILE A 583 12.542 0.320 0.530 1.00 0.00 C ATOM 0 H ILE A 583 15.776 -0.728 -1.243 1.00 0.00 H new ATOM 0 HA ILE A 583 15.041 1.724 -2.538 1.00 0.00 H new ATOM 0 HB ILE A 583 15.212 1.009 0.415 1.00 0.00 H new ATOM 0 HG12 ILE A 583 12.864 0.811 -1.517 1.00 0.00 H new ATOM 0 HG13 ILE A 583 13.802 -0.556 -0.947 1.00 0.00 H new ATOM 0 HG21 ILE A 583 13.543 2.787 0.714 1.00 0.00 H new ATOM 0 HG22 ILE A 583 15.062 3.413 0.032 1.00 0.00 H new ATOM 0 HG23 ILE A 583 13.647 3.175 -1.020 1.00 0.00 H new ATOM 0 HD11 ILE A 583 11.711 -0.346 0.298 1.00 0.00 H new ATOM 0 HD12 ILE A 583 13.107 -0.083 1.371 1.00 0.00 H new ATOM 0 HD13 ILE A 583 12.155 1.305 0.792 1.00 0.00 H new ATOM 1284 N GLY A 584 17.031 3.159 -2.233 1.00 0.00 N ATOM 1285 CA GLY A 584 18.180 4.022 -2.069 1.00 0.00 C ATOM 1286 C GLY A 584 18.048 5.274 -2.897 1.00 0.00 C ATOM 1287 O GLY A 584 17.823 5.187 -4.103 1.00 0.00 O ATOM 0 H GLY A 584 16.411 3.415 -3.001 1.00 0.00 H new ATOM 0 HA2 GLY A 584 18.290 4.289 -1.018 1.00 0.00 H new ATOM 0 HA3 GLY A 584 19.084 3.486 -2.358 1.00 0.00 H new ATOM 1291 N ALA A 585 18.169 6.431 -2.237 1.00 0.00 N ATOM 1292 CA ALA A 585 17.995 7.735 -2.880 1.00 0.00 C ATOM 1293 C ALA A 585 16.574 7.884 -3.413 1.00 0.00 C ATOM 1294 O ALA A 585 15.715 8.441 -2.736 1.00 0.00 O ATOM 1295 CB ALA A 585 19.024 7.952 -3.985 1.00 0.00 C ATOM 0 H ALA A 585 18.390 6.488 -1.243 1.00 0.00 H new ATOM 0 HA ALA A 585 18.159 8.506 -2.127 1.00 0.00 H new ATOM 0 HB1 ALA A 585 18.867 8.929 -4.442 1.00 0.00 H new ATOM 0 HB2 ALA A 585 20.027 7.906 -3.562 1.00 0.00 H new ATOM 0 HB3 ALA A 585 18.914 7.176 -4.742 1.00 0.00 H new ATOM 1301 N LEU A 586 16.325 7.347 -4.598 1.00 0.00 N ATOM 1302 CA LEU A 586 15.002 7.371 -5.200 1.00 0.00 C ATOM 1303 C LEU A 586 14.939 6.343 -6.325 1.00 0.00 C ATOM 1304 O LEU A 586 15.678 6.440 -7.302 1.00 0.00 O ATOM 1305 CB LEU A 586 14.676 8.776 -5.730 1.00 0.00 C ATOM 1306 CG LEU A 586 13.192 9.051 -6.030 1.00 0.00 C ATOM 1307 CD1 LEU A 586 12.943 10.550 -6.108 1.00 0.00 C ATOM 1308 CD2 LEU A 586 12.757 8.383 -7.329 1.00 0.00 C ATOM 0 H LEU A 586 17.033 6.884 -5.168 1.00 0.00 H new ATOM 0 HA LEU A 586 14.259 7.118 -4.444 1.00 0.00 H new ATOM 0 HB2 LEU A 586 15.021 9.508 -5.000 1.00 0.00 H new ATOM 0 HB3 LEU A 586 15.248 8.941 -6.643 1.00 0.00 H new ATOM 0 HG LEU A 586 12.601 8.629 -5.217 1.00 0.00 H new ATOM 0 HD11 LEU A 586 11.890 10.733 -6.321 1.00 0.00 H new ATOM 0 HD12 LEU A 586 13.207 11.013 -5.157 1.00 0.00 H new ATOM 0 HD13 LEU A 586 13.554 10.979 -6.902 1.00 0.00 H new ATOM 0 HD21 LEU A 586 11.704 8.596 -7.513 1.00 0.00 H new ATOM 0 HD22 LEU A 586 13.355 8.769 -8.155 1.00 0.00 H new ATOM 0 HD23 LEU A 586 12.901 7.305 -7.250 1.00 0.00 H new ATOM 1320 N VAL A 587 14.076 5.357 -6.170 1.00 0.00 N ATOM 1321 CA VAL A 587 13.878 4.337 -7.185 1.00 0.00 C ATOM 1322 C VAL A 587 12.389 4.205 -7.498 1.00 0.00 C ATOM 1323 O VAL A 587 11.547 4.276 -6.600 1.00 0.00 O ATOM 1324 CB VAL A 587 14.466 2.979 -6.738 1.00 0.00 C ATOM 1325 CG1 VAL A 587 13.879 2.544 -5.405 1.00 0.00 C ATOM 1326 CG2 VAL A 587 14.256 1.908 -7.802 1.00 0.00 C ATOM 0 H VAL A 587 13.494 5.240 -5.341 1.00 0.00 H new ATOM 0 HA VAL A 587 14.407 4.640 -8.089 1.00 0.00 H new ATOM 0 HB VAL A 587 15.540 3.110 -6.607 1.00 0.00 H new ATOM 0 HG11 VAL A 587 14.309 1.586 -5.113 1.00 0.00 H new ATOM 0 HG12 VAL A 587 14.108 3.291 -4.645 1.00 0.00 H new ATOM 0 HG13 VAL A 587 12.798 2.443 -5.499 1.00 0.00 H new ATOM 0 HG21 VAL A 587 14.680 0.965 -7.458 1.00 0.00 H new ATOM 0 HG22 VAL A 587 13.189 1.781 -7.984 1.00 0.00 H new ATOM 0 HG23 VAL A 587 14.748 2.212 -8.726 1.00 0.00 H new ATOM 1336 N ARG A 588 12.061 4.043 -8.772 1.00 0.00 N ATOM 1337 CA ARG A 588 10.672 4.019 -9.196 1.00 0.00 C ATOM 1338 C ARG A 588 10.181 2.596 -9.426 1.00 0.00 C ATOM 1339 O ARG A 588 10.876 1.766 -10.017 1.00 0.00 O ATOM 1340 CB ARG A 588 10.492 4.860 -10.460 1.00 0.00 C ATOM 1341 CG ARG A 588 11.364 4.421 -11.629 1.00 0.00 C ATOM 1342 CD ARG A 588 11.277 5.408 -12.783 1.00 0.00 C ATOM 1343 NE ARG A 588 11.707 6.746 -12.381 1.00 0.00 N ATOM 1344 CZ ARG A 588 11.257 7.876 -12.920 1.00 0.00 C ATOM 1345 NH1 ARG A 588 10.433 7.847 -13.960 1.00 0.00 N1+ ATOM 1346 NH2 ARG A 588 11.675 9.041 -12.433 1.00 0.00 N ATOM 0 H ARG A 588 12.737 3.927 -9.527 1.00 0.00 H new ATOM 0 HA ARG A 588 10.070 4.448 -8.395 1.00 0.00 H new ATOM 0 HB2 ARG A 588 9.446 4.819 -10.765 1.00 0.00 H new ATOM 0 HB3 ARG A 588 10.715 5.901 -10.226 1.00 0.00 H new ATOM 0 HG2 ARG A 588 12.399 4.333 -11.300 1.00 0.00 H new ATOM 0 HG3 ARG A 588 11.052 3.433 -11.968 1.00 0.00 H new ATOM 0 HD2 ARG A 588 11.897 5.059 -13.609 1.00 0.00 H new ATOM 0 HD3 ARG A 588 10.252 5.450 -13.150 1.00 0.00 H new ATOM 0 HE ARG A 588 12.400 6.818 -11.636 1.00 0.00 H new ATOM 0 HH11 ARG A 588 10.139 6.953 -14.353 1.00 0.00 H new ATOM 0 HH12 ARG A 588 10.093 8.719 -14.366 1.00 0.00 H new ATOM 0 HH21 ARG A 588 12.334 9.061 -11.654 1.00 0.00 H new ATOM 0 HH22 ARG A 588 11.337 9.914 -12.838 1.00 0.00 H new ATOM 1360 N LEU A 589 8.986 2.326 -8.932 1.00 0.00 N ATOM 1361 CA LEU A 589 8.362 1.028 -9.099 1.00 0.00 C ATOM 1362 C LEU A 589 6.971 1.209 -9.698 1.00 0.00 C ATOM 1363 O LEU A 589 6.105 1.810 -9.075 1.00 0.00 O ATOM 1364 CB LEU A 589 8.260 0.334 -7.739 1.00 0.00 C ATOM 1365 CG LEU A 589 8.294 -1.199 -7.753 1.00 0.00 C ATOM 1366 CD1 LEU A 589 8.029 -1.741 -6.360 1.00 0.00 C ATOM 1367 CD2 LEU A 589 7.289 -1.771 -8.734 1.00 0.00 C ATOM 0 H LEU A 589 8.425 2.996 -8.407 1.00 0.00 H new ATOM 0 HA LEU A 589 8.963 0.414 -9.769 1.00 0.00 H new ATOM 0 HB2 LEU A 589 9.078 0.688 -7.112 1.00 0.00 H new ATOM 0 HB3 LEU A 589 7.333 0.651 -7.262 1.00 0.00 H new ATOM 0 HG LEU A 589 9.288 -1.506 -8.077 1.00 0.00 H new ATOM 0 HD11 LEU A 589 8.056 -2.830 -6.382 1.00 0.00 H new ATOM 0 HD12 LEU A 589 8.793 -1.373 -5.675 1.00 0.00 H new ATOM 0 HD13 LEU A 589 7.048 -1.409 -6.021 1.00 0.00 H new ATOM 0 HD21 LEU A 589 7.342 -2.860 -8.716 1.00 0.00 H new ATOM 0 HD22 LEU A 589 6.285 -1.452 -8.454 1.00 0.00 H new ATOM 0 HD23 LEU A 589 7.516 -1.413 -9.738 1.00 0.00 H new ATOM 1379 N LYS A 590 6.755 0.708 -10.904 1.00 0.00 N ATOM 1380 CA LYS A 590 5.442 0.784 -11.515 1.00 0.00 C ATOM 1381 C LYS A 590 4.429 -0.028 -10.722 1.00 0.00 C ATOM 1382 O LYS A 590 4.646 -1.202 -10.420 1.00 0.00 O ATOM 1383 CB LYS A 590 5.487 0.307 -12.959 1.00 0.00 C ATOM 1384 CG LYS A 590 6.008 1.352 -13.933 1.00 0.00 C ATOM 1385 CD LYS A 590 5.140 2.601 -13.905 1.00 0.00 C ATOM 1386 CE LYS A 590 5.551 3.615 -14.959 1.00 0.00 C ATOM 1387 NZ LYS A 590 5.311 3.122 -16.342 1.00 0.00 N1+ ATOM 0 H LYS A 590 7.466 0.249 -11.473 1.00 0.00 H new ATOM 0 HA LYS A 590 5.130 1.828 -11.507 1.00 0.00 H new ATOM 0 HB2 LYS A 590 6.118 -0.580 -13.020 1.00 0.00 H new ATOM 0 HB3 LYS A 590 4.485 0.007 -13.264 1.00 0.00 H new ATOM 0 HG2 LYS A 590 7.035 1.612 -13.678 1.00 0.00 H new ATOM 0 HG3 LYS A 590 6.025 0.939 -14.941 1.00 0.00 H new ATOM 0 HD2 LYS A 590 4.099 2.320 -14.061 1.00 0.00 H new ATOM 0 HD3 LYS A 590 5.201 3.061 -12.919 1.00 0.00 H new ATOM 0 HE2 LYS A 590 4.997 4.541 -14.805 1.00 0.00 H new ATOM 0 HE3 LYS A 590 6.608 3.852 -14.839 1.00 0.00 H new ATOM 0 HZ1 LYS A 590 5.428 3.906 -17.015 1.00 0.00 H new ATOM 0 HZ2 LYS A 590 5.993 2.369 -16.565 1.00 0.00 H new ATOM 0 HZ3 LYS A 590 4.344 2.746 -16.414 1.00 0.00 H new ATOM 1401 N SER A 591 3.330 0.613 -10.384 1.00 0.00 N ATOM 1402 CA SER A 591 2.298 -0.015 -9.577 1.00 0.00 C ATOM 1403 C SER A 591 1.204 -0.600 -10.467 1.00 0.00 C ATOM 1404 O SER A 591 1.311 -0.580 -11.690 1.00 0.00 O ATOM 1405 CB SER A 591 1.694 1.005 -8.611 1.00 0.00 C ATOM 1406 OG SER A 591 1.007 2.008 -9.330 1.00 0.00 O ATOM 0 H SER A 591 3.125 1.574 -10.656 1.00 0.00 H new ATOM 0 HA SER A 591 2.751 -0.824 -9.004 1.00 0.00 H new ATOM 0 HB2 SER A 591 1.010 0.506 -7.924 1.00 0.00 H new ATOM 0 HB3 SER A 591 2.481 1.455 -8.006 1.00 0.00 H new ATOM 0 HG SER A 591 1.649 2.539 -9.846 1.00 0.00 H new ATOM 1412 N LEU A 592 0.141 -1.083 -9.845 1.00 0.00 N ATOM 1413 CA LEU A 592 -0.958 -1.700 -10.578 1.00 0.00 C ATOM 1414 C LEU A 592 -1.837 -0.644 -11.242 1.00 0.00 C ATOM 1415 O LEU A 592 -2.311 -0.839 -12.358 1.00 0.00 O ATOM 1416 CB LEU A 592 -1.816 -2.565 -9.653 1.00 0.00 C ATOM 1417 CG LEU A 592 -1.095 -3.717 -8.956 1.00 0.00 C ATOM 1418 CD1 LEU A 592 -2.089 -4.566 -8.179 1.00 0.00 C ATOM 1419 CD2 LEU A 592 -0.338 -4.569 -9.962 1.00 0.00 C ATOM 0 H LEU A 592 0.014 -1.061 -8.833 1.00 0.00 H new ATOM 0 HA LEU A 592 -0.518 -2.331 -11.350 1.00 0.00 H new ATOM 0 HB2 LEU A 592 -2.254 -1.922 -8.890 1.00 0.00 H new ATOM 0 HB3 LEU A 592 -2.641 -2.977 -10.235 1.00 0.00 H new ATOM 0 HG LEU A 592 -0.372 -3.297 -8.257 1.00 0.00 H new ATOM 0 HD11 LEU A 592 -1.562 -5.384 -7.687 1.00 0.00 H new ATOM 0 HD12 LEU A 592 -2.585 -3.950 -7.429 1.00 0.00 H new ATOM 0 HD13 LEU A 592 -2.833 -4.973 -8.864 1.00 0.00 H new ATOM 0 HD21 LEU A 592 0.167 -5.383 -9.442 1.00 0.00 H new ATOM 0 HD22 LEU A 592 -1.038 -4.982 -10.689 1.00 0.00 H new ATOM 0 HD23 LEU A 592 0.400 -3.954 -10.477 1.00 0.00 H new ATOM 1431 N GLN A 593 -2.066 0.468 -10.544 1.00 0.00 N ATOM 1432 CA GLN A 593 -2.887 1.558 -11.086 1.00 0.00 C ATOM 1433 C GLN A 593 -2.261 2.116 -12.356 1.00 0.00 C ATOM 1434 O GLN A 593 -2.953 2.574 -13.266 1.00 0.00 O ATOM 1435 CB GLN A 593 -3.033 2.670 -10.054 1.00 0.00 C ATOM 1436 CG GLN A 593 -3.856 3.848 -10.542 1.00 0.00 C ATOM 1437 CD GLN A 593 -3.835 5.020 -9.578 1.00 0.00 C ATOM 1438 OE1 GLN A 593 -3.001 5.913 -9.689 1.00 0.00 O ATOM 1439 NE2 GLN A 593 -4.730 5.009 -8.607 1.00 0.00 N ATOM 0 H GLN A 593 -1.699 0.640 -9.608 1.00 0.00 H new ATOM 0 HA GLN A 593 -3.873 1.159 -11.325 1.00 0.00 H new ATOM 0 HB2 GLN A 593 -3.496 2.262 -9.155 1.00 0.00 H new ATOM 0 HB3 GLN A 593 -2.042 3.023 -9.770 1.00 0.00 H new ATOM 0 HG2 GLN A 593 -3.477 4.174 -11.511 1.00 0.00 H new ATOM 0 HG3 GLN A 593 -4.887 3.527 -10.694 1.00 0.00 H new ATOM 0 HE21 GLN A 593 -5.408 4.249 -8.547 1.00 0.00 H new ATOM 0 HE22 GLN A 593 -4.743 5.760 -7.917 1.00 0.00 H new ATOM 1448 N GLY A 594 -0.947 2.049 -12.410 1.00 0.00 N ATOM 1449 CA GLY A 594 -0.241 2.353 -13.634 1.00 0.00 C ATOM 1450 C GLY A 594 0.829 3.407 -13.466 1.00 0.00 C ATOM 1451 O GLY A 594 1.726 3.514 -14.305 1.00 0.00 O ATOM 0 H GLY A 594 -0.350 1.788 -11.625 1.00 0.00 H new ATOM 0 HA2 GLY A 594 0.216 1.440 -14.017 1.00 0.00 H new ATOM 0 HA3 GLY A 594 -0.957 2.690 -14.383 1.00 0.00 H new ATOM 1455 N ASP A 595 0.754 4.199 -12.403 1.00 0.00 N ATOM 1456 CA ASP A 595 1.778 5.209 -12.171 1.00 0.00 C ATOM 1457 C ASP A 595 2.970 4.586 -11.442 1.00 0.00 C ATOM 1458 O ASP A 595 3.059 3.361 -11.312 1.00 0.00 O ATOM 1459 CB ASP A 595 1.222 6.407 -11.387 1.00 0.00 C ATOM 1460 CG ASP A 595 1.965 7.699 -11.713 1.00 0.00 C ATOM 1461 OD1 ASP A 595 3.047 7.945 -11.139 1.00 0.00 O1- ATOM 1462 OD2 ASP A 595 1.483 8.460 -12.578 1.00 0.00 O ATOM 0 H ASP A 595 0.013 4.164 -11.703 1.00 0.00 H new ATOM 0 HA ASP A 595 2.112 5.584 -13.139 1.00 0.00 H new ATOM 0 HB2 ASP A 595 0.163 6.530 -11.616 1.00 0.00 H new ATOM 0 HB3 ASP A 595 1.296 6.206 -10.318 1.00 0.00 H new ATOM 1467 N LYS A 596 3.873 5.424 -10.971 1.00 0.00 N ATOM 1468 CA LYS A 596 5.130 4.972 -10.401 1.00 0.00 C ATOM 1469 C LYS A 596 5.159 5.203 -8.897 1.00 0.00 C ATOM 1470 O LYS A 596 4.739 6.254 -8.413 1.00 0.00 O ATOM 1471 CB LYS A 596 6.276 5.740 -11.063 1.00 0.00 C ATOM 1472 CG LYS A 596 6.146 7.241 -10.872 1.00 0.00 C ATOM 1473 CD LYS A 596 6.981 8.031 -11.857 1.00 0.00 C ATOM 1474 CE LYS A 596 6.503 9.469 -11.909 1.00 0.00 C ATOM 1475 NZ LYS A 596 5.062 9.546 -12.279 1.00 0.00 N1+ ATOM 0 H LYS A 596 3.757 6.437 -10.972 1.00 0.00 H new ATOM 0 HA LYS A 596 5.238 3.903 -10.582 1.00 0.00 H new ATOM 0 HB2 LYS A 596 7.225 5.403 -10.646 1.00 0.00 H new ATOM 0 HB3 LYS A 596 6.297 5.511 -12.129 1.00 0.00 H new ATOM 0 HG2 LYS A 596 5.100 7.527 -10.978 1.00 0.00 H new ATOM 0 HG3 LYS A 596 6.446 7.501 -9.857 1.00 0.00 H new ATOM 0 HD2 LYS A 596 8.030 7.999 -11.564 1.00 0.00 H new ATOM 0 HD3 LYS A 596 6.912 7.581 -12.847 1.00 0.00 H new ATOM 0 HE2 LYS A 596 6.658 9.941 -10.939 1.00 0.00 H new ATOM 0 HE3 LYS A 596 7.097 10.026 -12.633 1.00 0.00 H new ATOM 0 HZ1 LYS A 596 4.838 10.509 -12.602 1.00 0.00 H new ATOM 0 HZ2 LYS A 596 4.863 8.869 -13.043 1.00 0.00 H new ATOM 0 HZ3 LYS A 596 4.478 9.314 -11.450 1.00 0.00 H new ATOM 1489 N LEU A 597 5.636 4.214 -8.166 1.00 0.00 N ATOM 1490 CA LEU A 597 5.900 4.383 -6.754 1.00 0.00 C ATOM 1491 C LEU A 597 7.278 4.999 -6.588 1.00 0.00 C ATOM 1492 O LEU A 597 8.286 4.394 -6.960 1.00 0.00 O ATOM 1493 CB LEU A 597 5.814 3.042 -6.015 1.00 0.00 C ATOM 1494 CG LEU A 597 4.433 2.382 -6.042 1.00 0.00 C ATOM 1495 CD1 LEU A 597 4.455 1.056 -5.299 1.00 0.00 C ATOM 1496 CD2 LEU A 597 3.391 3.307 -5.433 1.00 0.00 C ATOM 0 H LEU A 597 5.848 3.285 -8.529 1.00 0.00 H new ATOM 0 HA LEU A 597 5.147 5.042 -6.321 1.00 0.00 H new ATOM 0 HB2 LEU A 597 6.538 2.355 -6.453 1.00 0.00 H new ATOM 0 HB3 LEU A 597 6.108 3.196 -4.977 1.00 0.00 H new ATOM 0 HG LEU A 597 4.168 2.190 -7.082 1.00 0.00 H new ATOM 0 HD11 LEU A 597 3.463 0.605 -5.331 1.00 0.00 H new ATOM 0 HD12 LEU A 597 5.174 0.386 -5.771 1.00 0.00 H new ATOM 0 HD13 LEU A 597 4.744 1.225 -4.262 1.00 0.00 H new ATOM 0 HD21 LEU A 597 2.415 2.823 -5.460 1.00 0.00 H new ATOM 0 HD22 LEU A 597 3.659 3.527 -4.399 1.00 0.00 H new ATOM 0 HD23 LEU A 597 3.351 4.236 -6.003 1.00 0.00 H new ATOM 1508 N GLU A 598 7.312 6.211 -6.063 1.00 0.00 N ATOM 1509 CA GLU A 598 8.566 6.925 -5.875 1.00 0.00 C ATOM 1510 C GLU A 598 9.193 6.552 -4.542 1.00 0.00 C ATOM 1511 O GLU A 598 8.995 7.236 -3.540 1.00 0.00 O ATOM 1512 CB GLU A 598 8.337 8.435 -5.938 1.00 0.00 C ATOM 1513 CG GLU A 598 7.789 8.911 -7.270 1.00 0.00 C ATOM 1514 CD GLU A 598 7.483 10.390 -7.271 1.00 0.00 C ATOM 1515 OE1 GLU A 598 8.426 11.199 -7.176 1.00 0.00 O1- ATOM 1516 OE2 GLU A 598 6.293 10.756 -7.352 1.00 0.00 O ATOM 0 H GLU A 598 6.485 6.724 -5.758 1.00 0.00 H new ATOM 0 HA GLU A 598 9.246 6.639 -6.677 1.00 0.00 H new ATOM 0 HB2 GLU A 598 7.645 8.722 -5.146 1.00 0.00 H new ATOM 0 HB3 GLU A 598 9.279 8.946 -5.739 1.00 0.00 H new ATOM 0 HG2 GLU A 598 8.511 8.692 -8.056 1.00 0.00 H new ATOM 0 HG3 GLU A 598 6.882 8.355 -7.506 1.00 0.00 H new ATOM 1523 N VAL A 599 9.935 5.457 -4.538 1.00 0.00 N ATOM 1524 CA VAL A 599 10.523 4.932 -3.328 1.00 0.00 C ATOM 1525 C VAL A 599 11.868 5.589 -3.055 1.00 0.00 C ATOM 1526 O VAL A 599 12.792 5.472 -3.853 1.00 0.00 O ATOM 1527 CB VAL A 599 10.701 3.406 -3.419 1.00 0.00 C ATOM 1528 CG1 VAL A 599 11.240 2.843 -2.115 1.00 0.00 C ATOM 1529 CG2 VAL A 599 9.383 2.744 -3.783 1.00 0.00 C ATOM 0 H VAL A 599 10.143 4.912 -5.374 1.00 0.00 H new ATOM 0 HA VAL A 599 9.844 5.157 -2.506 1.00 0.00 H new ATOM 0 HB VAL A 599 11.428 3.192 -4.203 1.00 0.00 H new ATOM 0 HG11 VAL A 599 11.357 1.763 -2.206 1.00 0.00 H new ATOM 0 HG12 VAL A 599 12.207 3.295 -1.896 1.00 0.00 H new ATOM 0 HG13 VAL A 599 10.543 3.066 -1.307 1.00 0.00 H new ATOM 0 HG21 VAL A 599 9.523 1.665 -3.844 1.00 0.00 H new ATOM 0 HG22 VAL A 599 8.639 2.971 -3.020 1.00 0.00 H new ATOM 0 HG23 VAL A 599 9.041 3.121 -4.747 1.00 0.00 H new ATOM 1539 N SER A 600 11.982 6.280 -1.932 1.00 0.00 N ATOM 1540 CA SER A 600 13.205 7.004 -1.628 1.00 0.00 C ATOM 1541 C SER A 600 13.845 6.474 -0.351 1.00 0.00 C ATOM 1542 O SER A 600 13.179 5.854 0.468 1.00 0.00 O ATOM 1543 CB SER A 600 12.908 8.500 -1.489 1.00 0.00 C ATOM 1544 OG SER A 600 12.159 8.975 -2.596 1.00 0.00 O ATOM 0 H SER A 600 11.252 6.355 -1.224 1.00 0.00 H new ATOM 0 HA SER A 600 13.907 6.855 -2.449 1.00 0.00 H new ATOM 0 HB2 SER A 600 12.355 8.680 -0.567 1.00 0.00 H new ATOM 0 HB3 SER A 600 13.843 9.055 -1.413 1.00 0.00 H new ATOM 0 HG SER A 600 11.980 9.932 -2.484 1.00 0.00 H new ATOM 1550 N LEU A 601 15.145 6.690 -0.210 1.00 0.00 N ATOM 1551 CA LEU A 601 15.849 6.385 1.029 1.00 0.00 C ATOM 1552 C LEU A 601 16.891 7.456 1.308 1.00 0.00 C ATOM 1553 O LEU A 601 17.864 7.594 0.565 1.00 0.00 O ATOM 1554 CB LEU A 601 16.536 5.020 0.971 1.00 0.00 C ATOM 1555 CG LEU A 601 17.251 4.621 2.263 1.00 0.00 C ATOM 1556 CD1 LEU A 601 16.255 4.479 3.395 1.00 0.00 C ATOM 1557 CD2 LEU A 601 18.020 3.327 2.075 1.00 0.00 C ATOM 0 H LEU A 601 15.738 7.078 -0.944 1.00 0.00 H new ATOM 0 HA LEU A 601 15.109 6.361 1.829 1.00 0.00 H new ATOM 0 HB2 LEU A 601 15.791 4.261 0.732 1.00 0.00 H new ATOM 0 HB3 LEU A 601 17.259 5.024 0.156 1.00 0.00 H new ATOM 0 HG LEU A 601 17.961 5.408 2.517 1.00 0.00 H new ATOM 0 HD11 LEU A 601 16.779 4.195 4.307 1.00 0.00 H new ATOM 0 HD12 LEU A 601 15.744 5.429 3.551 1.00 0.00 H new ATOM 0 HD13 LEU A 601 15.524 3.711 3.142 1.00 0.00 H new ATOM 0 HD21 LEU A 601 18.521 3.063 3.006 1.00 0.00 H new ATOM 0 HD22 LEU A 601 17.330 2.531 1.795 1.00 0.00 H new ATOM 0 HD23 LEU A 601 18.763 3.456 1.288 1.00 0.00 H new ATOM 1569 N LYS A 602 16.678 8.211 2.370 1.00 0.00 N ATOM 1570 CA LYS A 602 17.626 9.234 2.792 1.00 0.00 C ATOM 1571 C LYS A 602 17.445 9.517 4.276 1.00 0.00 C ATOM 1572 O LYS A 602 16.317 9.570 4.764 1.00 0.00 O ATOM 1573 CB LYS A 602 17.464 10.504 1.945 1.00 0.00 C ATOM 1574 CG LYS A 602 16.051 11.063 1.916 1.00 0.00 C ATOM 1575 CD LYS A 602 15.880 12.032 0.760 1.00 0.00 C ATOM 1576 CE LYS A 602 14.508 12.679 0.767 1.00 0.00 C ATOM 1577 NZ LYS A 602 14.344 13.621 1.906 1.00 0.00 N1+ ATOM 0 H LYS A 602 15.851 8.136 2.962 1.00 0.00 H new ATOM 0 HA LYS A 602 18.642 8.872 2.636 1.00 0.00 H new ATOM 0 HB2 LYS A 602 18.137 11.271 2.329 1.00 0.00 H new ATOM 0 HB3 LYS A 602 17.777 10.287 0.924 1.00 0.00 H new ATOM 0 HG2 LYS A 602 15.334 10.247 1.822 1.00 0.00 H new ATOM 0 HG3 LYS A 602 15.836 11.570 2.857 1.00 0.00 H new ATOM 0 HD2 LYS A 602 16.647 12.805 0.817 1.00 0.00 H new ATOM 0 HD3 LYS A 602 16.028 11.504 -0.182 1.00 0.00 H new ATOM 0 HE2 LYS A 602 14.354 13.213 -0.171 1.00 0.00 H new ATOM 0 HE3 LYS A 602 13.742 11.905 0.823 1.00 0.00 H new ATOM 0 HZ1 LYS A 602 13.475 14.178 1.774 1.00 0.00 H new ATOM 0 HZ2 LYS A 602 14.279 13.084 2.794 1.00 0.00 H new ATOM 0 HZ3 LYS A 602 15.162 14.261 1.948 1.00 0.00 H new ATOM 1591 N ASN A 603 18.560 9.660 4.993 1.00 0.00 N ATOM 1592 CA ASN A 603 18.548 9.721 6.460 1.00 0.00 C ATOM 1593 C ASN A 603 17.976 8.425 7.021 1.00 0.00 C ATOM 1594 O ASN A 603 17.421 8.396 8.123 1.00 0.00 O ATOM 1595 CB ASN A 603 17.734 10.919 6.974 1.00 0.00 C ATOM 1596 CG ASN A 603 18.398 12.253 6.693 1.00 0.00 C ATOM 1597 OD1 ASN A 603 19.620 12.346 6.596 1.00 0.00 O ATOM 1598 ND2 ASN A 603 17.593 13.297 6.569 1.00 0.00 N ATOM 0 H ASN A 603 19.490 9.736 4.581 1.00 0.00 H new ATOM 0 HA ASN A 603 19.576 9.850 6.800 1.00 0.00 H new ATOM 0 HB2 ASN A 603 16.747 10.906 6.511 1.00 0.00 H new ATOM 0 HB3 ASN A 603 17.583 10.814 8.048 1.00 0.00 H new ATOM 0 HD21 ASN A 603 17.982 14.222 6.386 1.00 0.00 H new ATOM 0 HD22 ASN A 603 16.584 13.176 6.657 1.00 0.00 H new ATOM 1605 N ASN A 604 18.134 7.351 6.241 1.00 0.00 N ATOM 1606 CA ASN A 604 17.576 6.033 6.556 1.00 0.00 C ATOM 1607 C ASN A 604 16.045 6.089 6.567 1.00 0.00 C ATOM 1608 O ASN A 604 15.372 5.158 7.005 1.00 0.00 O ATOM 1609 CB ASN A 604 18.110 5.515 7.899 1.00 0.00 C ATOM 1610 CG ASN A 604 17.876 4.028 8.091 1.00 0.00 C ATOM 1611 OD1 ASN A 604 17.872 3.258 7.132 1.00 0.00 O ATOM 1612 ND2 ASN A 604 17.677 3.617 9.334 1.00 0.00 N ATOM 0 H ASN A 604 18.657 7.373 5.366 1.00 0.00 H new ATOM 0 HA ASN A 604 17.891 5.336 5.779 1.00 0.00 H new ATOM 0 HB2 ASN A 604 19.178 5.721 7.964 1.00 0.00 H new ATOM 0 HB3 ASN A 604 17.630 6.061 8.711 1.00 0.00 H new ATOM 0 HD21 ASN A 604 17.512 2.628 9.524 1.00 0.00 H new ATOM 0 HD22 ASN A 604 17.688 4.289 10.101 1.00 0.00 H new ATOM 1619 N VAL A 605 15.501 7.191 6.072 1.00 0.00 N ATOM 1620 CA VAL A 605 14.065 7.358 5.974 1.00 0.00 C ATOM 1621 C VAL A 605 13.600 6.958 4.585 1.00 0.00 C ATOM 1622 O VAL A 605 14.030 7.536 3.583 1.00 0.00 O ATOM 1623 CB VAL A 605 13.634 8.815 6.262 1.00 0.00 C ATOM 1624 CG1 VAL A 605 12.120 8.966 6.180 1.00 0.00 C ATOM 1625 CG2 VAL A 605 14.148 9.268 7.621 1.00 0.00 C ATOM 0 H VAL A 605 16.040 7.987 5.730 1.00 0.00 H new ATOM 0 HA VAL A 605 13.603 6.717 6.725 1.00 0.00 H new ATOM 0 HB VAL A 605 14.076 9.454 5.497 1.00 0.00 H new ATOM 0 HG11 VAL A 605 11.846 10.000 6.387 1.00 0.00 H new ATOM 0 HG12 VAL A 605 11.781 8.694 5.181 1.00 0.00 H new ATOM 0 HG13 VAL A 605 11.649 8.312 6.914 1.00 0.00 H new ATOM 0 HG21 VAL A 605 13.834 10.296 7.805 1.00 0.00 H new ATOM 0 HG22 VAL A 605 13.742 8.620 8.398 1.00 0.00 H new ATOM 0 HG23 VAL A 605 15.237 9.213 7.635 1.00 0.00 H new ATOM 1635 N VAL A 606 12.753 5.946 4.531 1.00 0.00 N ATOM 1636 CA VAL A 606 12.224 5.466 3.266 1.00 0.00 C ATOM 1637 C VAL A 606 11.049 6.337 2.832 1.00 0.00 C ATOM 1638 O VAL A 606 10.332 6.880 3.668 1.00 0.00 O ATOM 1639 CB VAL A 606 11.774 3.987 3.369 1.00 0.00 C ATOM 1640 CG1 VAL A 606 11.277 3.461 2.026 1.00 0.00 C ATOM 1641 CG2 VAL A 606 12.910 3.122 3.892 1.00 0.00 C ATOM 0 H VAL A 606 12.416 5.439 5.350 1.00 0.00 H new ATOM 0 HA VAL A 606 13.018 5.527 2.522 1.00 0.00 H new ATOM 0 HB VAL A 606 10.943 3.939 4.073 1.00 0.00 H new ATOM 0 HG11 VAL A 606 10.969 2.421 2.134 1.00 0.00 H new ATOM 0 HG12 VAL A 606 10.428 4.058 1.693 1.00 0.00 H new ATOM 0 HG13 VAL A 606 12.078 3.528 1.290 1.00 0.00 H new ATOM 0 HG21 VAL A 606 12.578 2.086 3.958 1.00 0.00 H new ATOM 0 HG22 VAL A 606 13.760 3.188 3.213 1.00 0.00 H new ATOM 0 HG23 VAL A 606 13.208 3.472 4.880 1.00 0.00 H new ATOM 1651 N SER A 607 10.871 6.501 1.534 1.00 0.00 N ATOM 1652 CA SER A 607 9.775 7.287 1.016 1.00 0.00 C ATOM 1653 C SER A 607 9.087 6.567 -0.127 1.00 0.00 C ATOM 1654 O SER A 607 9.653 5.660 -0.722 1.00 0.00 O ATOM 1655 CB SER A 607 10.269 8.664 0.567 1.00 0.00 C ATOM 1656 OG SER A 607 10.996 9.297 1.607 1.00 0.00 O ATOM 0 H SER A 607 11.476 6.097 0.819 1.00 0.00 H new ATOM 0 HA SER A 607 9.047 7.425 1.815 1.00 0.00 H new ATOM 0 HB2 SER A 607 10.901 8.560 -0.315 1.00 0.00 H new ATOM 0 HB3 SER A 607 9.420 9.285 0.279 1.00 0.00 H new ATOM 0 HG SER A 607 11.306 10.175 1.302 1.00 0.00 H new ATOM 1662 N VAL A 608 7.848 6.941 -0.379 1.00 0.00 N ATOM 1663 CA VAL A 608 7.096 6.430 -1.495 1.00 0.00 C ATOM 1664 C VAL A 608 6.045 7.454 -1.918 1.00 0.00 C ATOM 1665 O VAL A 608 5.218 7.879 -1.111 1.00 0.00 O ATOM 1666 CB VAL A 608 6.428 5.078 -1.156 1.00 0.00 C ATOM 1667 CG1 VAL A 608 5.528 5.202 0.069 1.00 0.00 C ATOM 1668 CG2 VAL A 608 5.648 4.553 -2.347 1.00 0.00 C ATOM 0 H VAL A 608 7.336 7.613 0.192 1.00 0.00 H new ATOM 0 HA VAL A 608 7.785 6.256 -2.322 1.00 0.00 H new ATOM 0 HB VAL A 608 7.216 4.363 -0.920 1.00 0.00 H new ATOM 0 HG11 VAL A 608 5.071 4.236 0.284 1.00 0.00 H new ATOM 0 HG12 VAL A 608 6.121 5.522 0.926 1.00 0.00 H new ATOM 0 HG13 VAL A 608 4.747 5.937 -0.126 1.00 0.00 H new ATOM 0 HG21 VAL A 608 5.185 3.601 -2.088 1.00 0.00 H new ATOM 0 HG22 VAL A 608 4.874 5.270 -2.620 1.00 0.00 H new ATOM 0 HG23 VAL A 608 6.324 4.411 -3.190 1.00 0.00 H new ATOM 1678 N ASN A 609 6.121 7.887 -3.174 1.00 0.00 N ATOM 1679 CA ASN A 609 5.138 8.812 -3.741 1.00 0.00 C ATOM 1680 C ASN A 609 5.152 10.125 -2.968 1.00 0.00 C ATOM 1681 O ASN A 609 4.105 10.737 -2.733 1.00 0.00 O ATOM 1682 CB ASN A 609 3.740 8.183 -3.711 1.00 0.00 C ATOM 1683 CG ASN A 609 3.732 6.779 -4.259 1.00 0.00 C ATOM 1684 OD1 ASN A 609 4.551 6.418 -5.102 1.00 0.00 O ATOM 1685 ND2 ASN A 609 2.807 5.980 -3.770 1.00 0.00 N ATOM 0 H ASN A 609 6.857 7.611 -3.824 1.00 0.00 H new ATOM 0 HA ASN A 609 5.400 9.017 -4.779 1.00 0.00 H new ATOM 0 HB2 ASN A 609 3.371 8.172 -2.685 1.00 0.00 H new ATOM 0 HB3 ASN A 609 3.054 8.801 -4.290 1.00 0.00 H new ATOM 0 HD21 ASN A 609 2.747 5.013 -4.090 1.00 0.00 H new ATOM 0 HD22 ASN A 609 2.150 6.328 -3.071 1.00 0.00 H new ATOM 1692 N LYS A 610 6.366 10.529 -2.570 1.00 0.00 N ATOM 1693 CA LYS A 610 6.621 11.769 -1.821 1.00 0.00 C ATOM 1694 C LYS A 610 6.314 11.597 -0.330 1.00 0.00 C ATOM 1695 O LYS A 610 6.696 12.434 0.485 1.00 0.00 O ATOM 1696 CB LYS A 610 5.827 12.961 -2.379 1.00 0.00 C ATOM 1697 CG LYS A 610 6.035 13.235 -3.864 1.00 0.00 C ATOM 1698 CD LYS A 610 7.479 13.562 -4.201 1.00 0.00 C ATOM 1699 CE LYS A 610 7.589 14.202 -5.579 1.00 0.00 C ATOM 1700 NZ LYS A 610 6.997 13.355 -6.649 1.00 0.00 N1+ ATOM 0 H LYS A 610 7.213 9.995 -2.762 1.00 0.00 H new ATOM 0 HA LYS A 610 7.683 11.983 -1.942 1.00 0.00 H new ATOM 0 HB2 LYS A 610 4.766 12.786 -2.202 1.00 0.00 H new ATOM 0 HB3 LYS A 610 6.100 13.855 -1.818 1.00 0.00 H new ATOM 0 HG2 LYS A 610 5.720 12.363 -4.438 1.00 0.00 H new ATOM 0 HG3 LYS A 610 5.398 14.065 -4.169 1.00 0.00 H new ATOM 0 HD2 LYS A 610 7.887 14.238 -3.449 1.00 0.00 H new ATOM 0 HD3 LYS A 610 8.078 12.652 -4.170 1.00 0.00 H new ATOM 0 HE2 LYS A 610 7.088 15.170 -5.568 1.00 0.00 H new ATOM 0 HE3 LYS A 610 8.638 14.389 -5.807 1.00 0.00 H new ATOM 0 HZ1 LYS A 610 6.571 13.963 -7.378 1.00 0.00 H new ATOM 0 HZ2 LYS A 610 7.741 12.768 -7.079 1.00 0.00 H new ATOM 0 HZ3 LYS A 610 6.265 12.740 -6.240 1.00 0.00 H new ATOM 1714 N GLU A 611 5.647 10.508 0.024 1.00 0.00 N ATOM 1715 CA GLU A 611 5.269 10.260 1.411 1.00 0.00 C ATOM 1716 C GLU A 611 6.295 9.371 2.100 1.00 0.00 C ATOM 1717 O GLU A 611 6.854 8.468 1.484 1.00 0.00 O ATOM 1718 CB GLU A 611 3.886 9.613 1.484 1.00 0.00 C ATOM 1719 CG GLU A 611 2.755 10.556 1.121 1.00 0.00 C ATOM 1720 CD GLU A 611 2.770 11.810 1.967 1.00 0.00 C ATOM 1721 OE1 GLU A 611 2.608 11.700 3.201 1.00 0.00 O1- ATOM 1722 OE2 GLU A 611 2.968 12.913 1.411 1.00 0.00 O ATOM 0 H GLU A 611 5.356 9.781 -0.629 1.00 0.00 H new ATOM 0 HA GLU A 611 5.237 11.219 1.927 1.00 0.00 H new ATOM 0 HB2 GLU A 611 3.860 8.753 0.814 1.00 0.00 H new ATOM 0 HB3 GLU A 611 3.723 9.236 2.494 1.00 0.00 H new ATOM 0 HG2 GLU A 611 2.833 10.828 0.068 1.00 0.00 H new ATOM 0 HG3 GLU A 611 1.801 10.044 1.248 1.00 0.00 H new ATOM 1729 N PRO A 612 6.568 9.624 3.380 1.00 0.00 N ATOM 1730 CA PRO A 612 7.551 8.868 4.151 1.00 0.00 C ATOM 1731 C PRO A 612 7.017 7.519 4.630 1.00 0.00 C ATOM 1732 O PRO A 612 5.883 7.417 5.102 1.00 0.00 O ATOM 1733 CB PRO A 612 7.845 9.777 5.358 1.00 0.00 C ATOM 1734 CG PRO A 612 7.092 11.045 5.105 1.00 0.00 C ATOM 1735 CD PRO A 612 5.961 10.680 4.190 1.00 0.00 C ATOM 0 HA PRO A 612 8.429 8.630 3.550 1.00 0.00 H new ATOM 0 HB2 PRO A 612 7.522 9.309 6.288 1.00 0.00 H new ATOM 0 HB3 PRO A 612 8.914 9.969 5.452 1.00 0.00 H new ATOM 0 HG2 PRO A 612 6.718 11.469 6.037 1.00 0.00 H new ATOM 0 HG3 PRO A 612 7.736 11.797 4.648 1.00 0.00 H new ATOM 0 HD2 PRO A 612 5.088 10.325 4.738 1.00 0.00 H new ATOM 0 HD3 PRO A 612 5.635 11.525 3.584 1.00 0.00 H new ATOM 1743 N VAL A 613 7.843 6.489 4.506 1.00 0.00 N ATOM 1744 CA VAL A 613 7.496 5.161 4.987 1.00 0.00 C ATOM 1745 C VAL A 613 7.935 5.014 6.433 1.00 0.00 C ATOM 1746 O VAL A 613 9.056 5.374 6.795 1.00 0.00 O ATOM 1747 CB VAL A 613 8.156 4.050 4.142 1.00 0.00 C ATOM 1748 CG1 VAL A 613 7.695 2.666 4.577 1.00 0.00 C ATOM 1749 CG2 VAL A 613 7.878 4.257 2.663 1.00 0.00 C ATOM 0 H VAL A 613 8.764 6.550 4.073 1.00 0.00 H new ATOM 0 HA VAL A 613 6.415 5.052 4.903 1.00 0.00 H new ATOM 0 HB VAL A 613 9.232 4.113 4.308 1.00 0.00 H new ATOM 0 HG11 VAL A 613 8.181 1.910 3.960 1.00 0.00 H new ATOM 0 HG12 VAL A 613 7.960 2.506 5.622 1.00 0.00 H new ATOM 0 HG13 VAL A 613 6.614 2.589 4.461 1.00 0.00 H new ATOM 0 HG21 VAL A 613 8.353 3.462 2.089 1.00 0.00 H new ATOM 0 HG22 VAL A 613 6.802 4.237 2.489 1.00 0.00 H new ATOM 0 HG23 VAL A 613 8.279 5.221 2.349 1.00 0.00 H new ATOM 1759 N ALA A 614 7.052 4.475 7.242 1.00 0.00 N ATOM 1760 CA ALA A 614 7.291 4.350 8.667 1.00 0.00 C ATOM 1761 C ALA A 614 7.983 3.034 8.989 1.00 0.00 C ATOM 1762 O ALA A 614 8.824 2.967 9.883 1.00 0.00 O ATOM 1763 CB ALA A 614 5.976 4.455 9.428 1.00 0.00 C ATOM 0 H ALA A 614 6.150 4.111 6.935 1.00 0.00 H new ATOM 0 HA ALA A 614 7.948 5.163 8.978 1.00 0.00 H new ATOM 0 HB1 ALA A 614 6.166 4.360 10.497 1.00 0.00 H new ATOM 0 HB2 ALA A 614 5.515 5.422 9.226 1.00 0.00 H new ATOM 0 HB3 ALA A 614 5.305 3.659 9.106 1.00 0.00 H new ATOM 1769 N GLU A 615 7.635 1.983 8.257 1.00 0.00 N ATOM 1770 CA GLU A 615 8.172 0.668 8.552 1.00 0.00 C ATOM 1771 C GLU A 615 8.275 -0.198 7.293 1.00 0.00 C ATOM 1772 O GLU A 615 7.323 -0.878 6.917 1.00 0.00 O ATOM 1773 CB GLU A 615 7.282 0.003 9.597 1.00 0.00 C ATOM 1774 CG GLU A 615 7.908 -1.188 10.288 1.00 0.00 C ATOM 1775 CD GLU A 615 7.086 -1.643 11.476 1.00 0.00 C ATOM 1776 OE1 GLU A 615 6.703 -0.783 12.301 1.00 0.00 O1- ATOM 1777 OE2 GLU A 615 6.801 -2.849 11.589 1.00 0.00 O ATOM 0 H GLU A 615 6.992 2.017 7.466 1.00 0.00 H new ATOM 0 HA GLU A 615 9.185 0.777 8.941 1.00 0.00 H new ATOM 0 HB2 GLU A 615 7.012 0.743 10.350 1.00 0.00 H new ATOM 0 HB3 GLU A 615 6.357 -0.316 9.118 1.00 0.00 H new ATOM 0 HG2 GLU A 615 8.007 -2.009 9.578 1.00 0.00 H new ATOM 0 HG3 GLU A 615 8.914 -0.929 10.619 1.00 0.00 H new ATOM 1784 N PRO A 616 9.414 -0.124 6.585 1.00 0.00 N ATOM 1785 CA PRO A 616 9.725 -1.027 5.465 1.00 0.00 C ATOM 1786 C PRO A 616 10.067 -2.457 5.909 1.00 0.00 C ATOM 1787 O PRO A 616 10.158 -2.744 7.104 1.00 0.00 O ATOM 1788 CB PRO A 616 10.971 -0.379 4.843 1.00 0.00 C ATOM 1789 CG PRO A 616 11.619 0.319 5.983 1.00 0.00 C ATOM 1790 CD PRO A 616 10.482 0.887 6.778 1.00 0.00 C ATOM 0 HA PRO A 616 8.872 -1.135 4.796 1.00 0.00 H new ATOM 0 HB2 PRO A 616 11.632 -1.126 4.404 1.00 0.00 H new ATOM 0 HB3 PRO A 616 10.704 0.317 4.048 1.00 0.00 H new ATOM 0 HG2 PRO A 616 12.215 -0.370 6.581 1.00 0.00 H new ATOM 0 HG3 PRO A 616 12.291 1.104 5.636 1.00 0.00 H new ATOM 0 HD2 PRO A 616 10.742 1.006 7.830 1.00 0.00 H new ATOM 0 HD3 PRO A 616 10.182 1.869 6.411 1.00 0.00 H new ATOM 1798 N ASP A 617 10.217 -3.346 4.918 1.00 0.00 N ATOM 1799 CA ASP A 617 10.854 -4.664 5.100 1.00 0.00 C ATOM 1800 C ASP A 617 9.933 -5.688 5.770 1.00 0.00 C ATOM 1801 O ASP A 617 10.397 -6.670 6.349 1.00 0.00 O ATOM 1802 CB ASP A 617 12.152 -4.516 5.905 1.00 0.00 C ATOM 1803 CG ASP A 617 13.183 -5.571 5.561 1.00 0.00 C ATOM 1804 OD1 ASP A 617 13.751 -5.498 4.449 1.00 0.00 O1- ATOM 1805 OD2 ASP A 617 13.443 -6.453 6.404 1.00 0.00 O ATOM 0 H ASP A 617 9.900 -3.174 3.964 1.00 0.00 H new ATOM 0 HA ASP A 617 11.077 -5.046 4.104 1.00 0.00 H new ATOM 0 HB2 ASP A 617 12.576 -3.528 5.723 1.00 0.00 H new ATOM 0 HB3 ASP A 617 11.922 -4.573 6.969 1.00 0.00 H new ATOM 1810 N ILE A 618 8.629 -5.482 5.671 1.00 0.00 N ATOM 1811 CA ILE A 618 7.674 -6.464 6.170 1.00 0.00 C ATOM 1812 C ILE A 618 7.243 -7.397 5.043 1.00 0.00 C ATOM 1813 O ILE A 618 6.288 -7.118 4.331 1.00 0.00 O ATOM 1814 CB ILE A 618 6.427 -5.787 6.765 1.00 0.00 C ATOM 1815 CG1 ILE A 618 6.836 -4.713 7.772 1.00 0.00 C ATOM 1816 CG2 ILE A 618 5.529 -6.821 7.430 1.00 0.00 C ATOM 1817 CD1 ILE A 618 5.659 -4.006 8.397 1.00 0.00 C ATOM 0 H ILE A 618 8.208 -4.652 5.254 1.00 0.00 H new ATOM 0 HA ILE A 618 8.170 -7.032 6.957 1.00 0.00 H new ATOM 0 HB ILE A 618 5.870 -5.313 5.957 1.00 0.00 H new ATOM 0 HG12 ILE A 618 7.436 -5.171 8.558 1.00 0.00 H new ATOM 0 HG13 ILE A 618 7.470 -3.979 7.274 1.00 0.00 H new ATOM 0 HG21 ILE A 618 4.651 -6.327 7.846 1.00 0.00 H new ATOM 0 HG22 ILE A 618 5.214 -7.558 6.692 1.00 0.00 H new ATOM 0 HG23 ILE A 618 6.078 -7.319 8.229 1.00 0.00 H new ATOM 0 HD11 ILE A 618 6.018 -3.256 9.102 1.00 0.00 H new ATOM 0 HD12 ILE A 618 5.071 -3.520 7.618 1.00 0.00 H new ATOM 0 HD13 ILE A 618 5.037 -4.730 8.923 1.00 0.00 H new ATOM 1829 N MET A 619 7.957 -8.494 4.865 1.00 0.00 N ATOM 1830 CA MET A 619 7.698 -9.375 3.735 1.00 0.00 C ATOM 1831 C MET A 619 6.599 -10.391 4.032 1.00 0.00 C ATOM 1832 O MET A 619 6.402 -10.811 5.175 1.00 0.00 O ATOM 1833 CB MET A 619 8.974 -10.104 3.309 1.00 0.00 C ATOM 1834 CG MET A 619 10.091 -9.171 2.870 1.00 0.00 C ATOM 1835 SD MET A 619 11.416 -10.032 1.994 1.00 0.00 S ATOM 1836 CE MET A 619 10.529 -10.630 0.557 1.00 0.00 C ATOM 0 H MET A 619 8.713 -8.796 5.479 1.00 0.00 H new ATOM 0 HA MET A 619 7.354 -8.741 2.918 1.00 0.00 H new ATOM 0 HB2 MET A 619 9.328 -10.715 4.139 1.00 0.00 H new ATOM 0 HB3 MET A 619 8.738 -10.784 2.491 1.00 0.00 H new ATOM 0 HG2 MET A 619 9.678 -8.396 2.224 1.00 0.00 H new ATOM 0 HG3 MET A 619 10.505 -8.670 3.745 1.00 0.00 H new ATOM 0 HE1 MET A 619 11.233 -10.812 -0.255 1.00 0.00 H new ATOM 0 HE2 MET A 619 10.015 -11.558 0.807 1.00 0.00 H new ATOM 0 HE3 MET A 619 9.799 -9.884 0.244 1.00 0.00 H new ATOM 1846 N ALA A 620 5.888 -10.762 2.975 1.00 0.00 N ATOM 1847 CA ALA A 620 4.868 -11.798 3.019 1.00 0.00 C ATOM 1848 C ALA A 620 5.340 -12.980 2.185 1.00 0.00 C ATOM 1849 O ALA A 620 6.480 -12.992 1.723 1.00 0.00 O ATOM 1850 CB ALA A 620 3.547 -11.269 2.473 1.00 0.00 C ATOM 0 H ALA A 620 6.006 -10.345 2.052 1.00 0.00 H new ATOM 0 HA ALA A 620 4.708 -12.109 4.051 1.00 0.00 H new ATOM 0 HB1 ALA A 620 2.795 -12.057 2.513 1.00 0.00 H new ATOM 0 HB2 ALA A 620 3.218 -10.422 3.075 1.00 0.00 H new ATOM 0 HB3 ALA A 620 3.682 -10.949 1.440 1.00 0.00 H new ATOM 1856 N THR A 621 4.470 -13.959 1.967 1.00 0.00 N ATOM 1857 CA THR A 621 4.848 -15.113 1.168 1.00 0.00 C ATOM 1858 C THR A 621 4.731 -14.819 -0.327 1.00 0.00 C ATOM 1859 O THR A 621 5.286 -15.540 -1.153 1.00 0.00 O ATOM 1860 CB THR A 621 4.015 -16.368 1.522 1.00 0.00 C ATOM 1861 OG1 THR A 621 4.582 -17.528 0.898 1.00 0.00 O ATOM 1862 CG2 THR A 621 2.571 -16.219 1.072 1.00 0.00 C ATOM 0 H THR A 621 3.515 -13.976 2.326 1.00 0.00 H new ATOM 0 HA THR A 621 5.891 -15.322 1.406 1.00 0.00 H new ATOM 0 HB THR A 621 4.033 -16.481 2.606 1.00 0.00 H new ATOM 0 HG1 THR A 621 4.918 -17.290 0.009 1.00 0.00 H new ATOM 0 HG21 THR A 621 2.013 -17.118 1.336 1.00 0.00 H new ATOM 0 HG22 THR A 621 2.123 -15.356 1.565 1.00 0.00 H new ATOM 0 HG23 THR A 621 2.539 -16.076 -0.008 1.00 0.00 H new ATOM 1870 N ASN A 622 3.999 -13.769 -0.668 1.00 0.00 N ATOM 1871 CA ASN A 622 3.777 -13.418 -2.066 1.00 0.00 C ATOM 1872 C ASN A 622 4.346 -12.045 -2.407 1.00 0.00 C ATOM 1873 O ASN A 622 4.195 -11.570 -3.532 1.00 0.00 O ATOM 1874 CB ASN A 622 2.284 -13.444 -2.390 1.00 0.00 C ATOM 1875 CG ASN A 622 1.495 -12.414 -1.602 1.00 0.00 C ATOM 1876 OD1 ASN A 622 1.845 -12.065 -0.472 1.00 0.00 O ATOM 1877 ND2 ASN A 622 0.411 -11.940 -2.183 1.00 0.00 N ATOM 0 H ASN A 622 3.549 -13.145 0.002 1.00 0.00 H new ATOM 0 HA ASN A 622 4.299 -14.160 -2.670 1.00 0.00 H new ATOM 0 HB2 ASN A 622 2.145 -13.264 -3.456 1.00 0.00 H new ATOM 0 HB3 ASN A 622 1.888 -14.438 -2.180 1.00 0.00 H new ATOM 0 HD21 ASN A 622 -0.172 -11.259 -1.696 1.00 0.00 H new ATOM 0 HD22 ASN A 622 0.155 -12.254 -3.119 1.00 0.00 H new ATOM 1884 N GLY A 623 4.988 -11.397 -1.446 1.00 0.00 N ATOM 1885 CA GLY A 623 5.525 -10.080 -1.705 1.00 0.00 C ATOM 1886 C GLY A 623 6.082 -9.405 -0.472 1.00 0.00 C ATOM 1887 O GLY A 623 6.482 -10.071 0.479 1.00 0.00 O ATOM 0 H GLY A 623 5.145 -11.755 -0.504 1.00 0.00 H new ATOM 0 HA2 GLY A 623 6.313 -10.158 -2.454 1.00 0.00 H new ATOM 0 HA3 GLY A 623 4.741 -9.453 -2.130 1.00 0.00 H new ATOM 1891 N VAL A 624 6.108 -8.082 -0.488 1.00 0.00 N ATOM 1892 CA VAL A 624 6.646 -7.308 0.619 1.00 0.00 C ATOM 1893 C VAL A 624 5.744 -6.107 0.914 1.00 0.00 C ATOM 1894 O VAL A 624 5.124 -5.550 0.008 1.00 0.00 O ATOM 1895 CB VAL A 624 8.095 -6.840 0.321 1.00 0.00 C ATOM 1896 CG1 VAL A 624 8.145 -5.974 -0.930 1.00 0.00 C ATOM 1897 CG2 VAL A 624 8.691 -6.100 1.509 1.00 0.00 C ATOM 0 H VAL A 624 5.759 -7.518 -1.263 1.00 0.00 H new ATOM 0 HA VAL A 624 6.675 -7.949 1.500 1.00 0.00 H new ATOM 0 HB VAL A 624 8.697 -7.731 0.142 1.00 0.00 H new ATOM 0 HG11 VAL A 624 9.172 -5.660 -1.115 1.00 0.00 H new ATOM 0 HG12 VAL A 624 7.781 -6.546 -1.783 1.00 0.00 H new ATOM 0 HG13 VAL A 624 7.517 -5.094 -0.789 1.00 0.00 H new ATOM 0 HG21 VAL A 624 9.707 -5.785 1.269 1.00 0.00 H new ATOM 0 HG22 VAL A 624 8.083 -5.224 1.734 1.00 0.00 H new ATOM 0 HG23 VAL A 624 8.711 -6.760 2.376 1.00 0.00 H new ATOM 1907 N VAL A 625 5.646 -5.753 2.185 1.00 0.00 N ATOM 1908 CA VAL A 625 4.839 -4.626 2.615 1.00 0.00 C ATOM 1909 C VAL A 625 5.703 -3.552 3.261 1.00 0.00 C ATOM 1910 O VAL A 625 6.655 -3.850 3.990 1.00 0.00 O ATOM 1911 CB VAL A 625 3.742 -5.073 3.610 1.00 0.00 C ATOM 1912 CG1 VAL A 625 3.015 -3.881 4.213 1.00 0.00 C ATOM 1913 CG2 VAL A 625 2.754 -5.986 2.912 1.00 0.00 C ATOM 0 H VAL A 625 6.123 -6.238 2.945 1.00 0.00 H new ATOM 0 HA VAL A 625 4.362 -4.212 1.727 1.00 0.00 H new ATOM 0 HB VAL A 625 4.226 -5.614 4.423 1.00 0.00 H new ATOM 0 HG11 VAL A 625 2.252 -4.233 4.907 1.00 0.00 H new ATOM 0 HG12 VAL A 625 3.728 -3.252 4.746 1.00 0.00 H new ATOM 0 HG13 VAL A 625 2.544 -3.302 3.419 1.00 0.00 H new ATOM 0 HG21 VAL A 625 1.984 -6.297 3.618 1.00 0.00 H new ATOM 0 HG22 VAL A 625 2.291 -5.454 2.081 1.00 0.00 H new ATOM 0 HG23 VAL A 625 3.276 -6.865 2.533 1.00 0.00 H new ATOM 1923 N HIS A 626 5.372 -2.308 2.975 1.00 0.00 N ATOM 1924 CA HIS A 626 6.045 -1.174 3.589 1.00 0.00 C ATOM 1925 C HIS A 626 5.000 -0.253 4.213 1.00 0.00 C ATOM 1926 O HIS A 626 4.121 0.257 3.521 1.00 0.00 O ATOM 1927 CB HIS A 626 6.889 -0.410 2.558 1.00 0.00 C ATOM 1928 CG HIS A 626 7.891 -1.258 1.823 1.00 0.00 C ATOM 1929 ND1 HIS A 626 9.218 -1.401 2.191 1.00 0.00 N ATOM 1930 CD2 HIS A 626 7.733 -2.019 0.711 1.00 0.00 C ATOM 1931 CE1 HIS A 626 9.803 -2.235 1.314 1.00 0.00 C ATOM 1932 NE2 HIS A 626 8.945 -2.635 0.399 1.00 0.00 N ATOM 0 H HIS A 626 4.636 -2.053 2.317 1.00 0.00 H new ATOM 0 HA HIS A 626 6.721 -1.537 4.363 1.00 0.00 H new ATOM 0 HB2 HIS A 626 6.221 0.053 1.832 1.00 0.00 H new ATOM 0 HB3 HIS A 626 7.417 0.397 3.066 1.00 0.00 H new ATOM 0 HD2 HIS A 626 6.814 -2.130 0.155 1.00 0.00 H new ATOM 0 HE1 HIS A 626 10.839 -2.537 1.355 1.00 0.00 H new ATOM 0 HE2 HIS A 626 9.129 -3.267 -0.380 1.00 0.00 H new ATOM 1940 N VAL A 627 5.085 -0.072 5.522 1.00 0.00 N ATOM 1941 CA VAL A 627 4.091 0.694 6.275 1.00 0.00 C ATOM 1942 C VAL A 627 4.192 2.194 6.016 1.00 0.00 C ATOM 1943 O VAL A 627 5.231 2.805 6.251 1.00 0.00 O ATOM 1944 CB VAL A 627 4.250 0.453 7.793 1.00 0.00 C ATOM 1945 CG1 VAL A 627 3.277 1.305 8.591 1.00 0.00 C ATOM 1946 CG2 VAL A 627 4.069 -1.013 8.127 1.00 0.00 C ATOM 0 H VAL A 627 5.840 -0.448 6.095 1.00 0.00 H new ATOM 0 HA VAL A 627 3.117 0.345 5.933 1.00 0.00 H new ATOM 0 HB VAL A 627 5.262 0.748 8.071 1.00 0.00 H new ATOM 0 HG11 VAL A 627 3.413 1.113 9.655 1.00 0.00 H new ATOM 0 HG12 VAL A 627 3.463 2.359 8.386 1.00 0.00 H new ATOM 0 HG13 VAL A 627 2.255 1.055 8.305 1.00 0.00 H new ATOM 0 HG21 VAL A 627 4.185 -1.159 9.201 1.00 0.00 H new ATOM 0 HG22 VAL A 627 3.073 -1.335 7.823 1.00 0.00 H new ATOM 0 HG23 VAL A 627 4.818 -1.602 7.598 1.00 0.00 H new ATOM 1956 N ILE A 628 3.100 2.786 5.557 1.00 0.00 N ATOM 1957 CA ILE A 628 3.012 4.231 5.411 1.00 0.00 C ATOM 1958 C ILE A 628 1.899 4.788 6.278 1.00 0.00 C ATOM 1959 O ILE A 628 0.906 4.112 6.555 1.00 0.00 O ATOM 1960 CB ILE A 628 2.771 4.681 3.958 1.00 0.00 C ATOM 1961 CG1 ILE A 628 2.162 3.549 3.130 1.00 0.00 C ATOM 1962 CG2 ILE A 628 4.062 5.193 3.338 1.00 0.00 C ATOM 1963 CD1 ILE A 628 1.703 3.983 1.759 1.00 0.00 C ATOM 0 H ILE A 628 2.257 2.284 5.278 1.00 0.00 H new ATOM 0 HA ILE A 628 3.980 4.620 5.728 1.00 0.00 H new ATOM 0 HB ILE A 628 2.055 5.502 3.965 1.00 0.00 H new ATOM 0 HG12 ILE A 628 2.898 2.752 3.022 1.00 0.00 H new ATOM 0 HG13 ILE A 628 1.315 3.129 3.672 1.00 0.00 H new ATOM 0 HG21 ILE A 628 3.873 5.507 2.311 1.00 0.00 H new ATOM 0 HG22 ILE A 628 4.431 6.041 3.915 1.00 0.00 H new ATOM 0 HG23 ILE A 628 4.808 4.399 3.343 1.00 0.00 H new ATOM 0 HD11 ILE A 628 1.282 3.129 1.229 1.00 0.00 H new ATOM 0 HD12 ILE A 628 0.943 4.758 1.858 1.00 0.00 H new ATOM 0 HD13 ILE A 628 2.551 4.376 1.199 1.00 0.00 H new ATOM 1975 N THR A 629 2.072 6.021 6.700 1.00 0.00 N ATOM 1976 CA THR A 629 1.106 6.675 7.553 1.00 0.00 C ATOM 1977 C THR A 629 0.114 7.494 6.734 1.00 0.00 C ATOM 1978 O THR A 629 -0.755 8.161 7.289 1.00 0.00 O ATOM 1979 CB THR A 629 1.832 7.574 8.569 1.00 0.00 C ATOM 1980 OG1 THR A 629 2.853 8.327 7.899 1.00 0.00 O ATOM 1981 CG2 THR A 629 2.459 6.732 9.669 1.00 0.00 C ATOM 0 H THR A 629 2.881 6.595 6.463 1.00 0.00 H new ATOM 0 HA THR A 629 0.545 5.909 8.088 1.00 0.00 H new ATOM 0 HB THR A 629 1.108 8.255 9.017 1.00 0.00 H new ATOM 0 HG1 THR A 629 3.314 8.901 8.546 1.00 0.00 H new ATOM 0 HG21 THR A 629 2.969 7.383 10.380 1.00 0.00 H new ATOM 0 HG22 THR A 629 1.681 6.170 10.185 1.00 0.00 H new ATOM 0 HG23 THR A 629 3.178 6.039 9.232 1.00 0.00 H new ATOM 1989 N ASN A 630 0.244 7.427 5.407 1.00 0.00 N ATOM 1990 CA ASN A 630 -0.683 8.107 4.508 1.00 0.00 C ATOM 1991 C ASN A 630 -1.075 7.212 3.342 1.00 0.00 C ATOM 1992 O ASN A 630 -0.288 6.388 2.881 1.00 0.00 O ATOM 1993 CB ASN A 630 -0.084 9.415 3.983 1.00 0.00 C ATOM 1994 CG ASN A 630 -0.303 10.581 4.930 1.00 0.00 C ATOM 1995 OD1 ASN A 630 -1.309 10.649 5.635 1.00 0.00 O ATOM 1996 ND2 ASN A 630 0.631 11.516 4.943 1.00 0.00 N ATOM 0 H ASN A 630 0.984 6.908 4.934 1.00 0.00 H new ATOM 0 HA ASN A 630 -1.579 8.340 5.083 1.00 0.00 H new ATOM 0 HB2 ASN A 630 0.985 9.281 3.820 1.00 0.00 H new ATOM 0 HB3 ASN A 630 -0.527 9.650 3.015 1.00 0.00 H new ATOM 0 HD21 ASN A 630 0.531 12.328 5.552 1.00 0.00 H new ATOM 0 HD22 ASN A 630 1.452 11.425 4.344 1.00 0.00 H new ATOM 2003 N VAL A 631 -2.313 7.365 2.893 1.00 0.00 N ATOM 2004 CA VAL A 631 -2.802 6.660 1.719 1.00 0.00 C ATOM 2005 C VAL A 631 -2.585 7.551 0.492 1.00 0.00 C ATOM 2006 O VAL A 631 -2.460 8.768 0.627 1.00 0.00 O ATOM 2007 CB VAL A 631 -4.280 6.211 1.903 1.00 0.00 C ATOM 2008 CG1 VAL A 631 -5.012 7.178 2.800 1.00 0.00 C ATOM 2009 CG2 VAL A 631 -5.012 6.045 0.574 1.00 0.00 C ATOM 0 H VAL A 631 -3.002 7.977 3.330 1.00 0.00 H new ATOM 0 HA VAL A 631 -2.242 5.737 1.571 1.00 0.00 H new ATOM 0 HB VAL A 631 -4.262 5.229 2.375 1.00 0.00 H new ATOM 0 HG11 VAL A 631 -6.045 6.852 2.920 1.00 0.00 H new ATOM 0 HG12 VAL A 631 -4.526 7.209 3.775 1.00 0.00 H new ATOM 0 HG13 VAL A 631 -4.995 8.172 2.354 1.00 0.00 H new ATOM 0 HG21 VAL A 631 -6.039 5.731 0.761 1.00 0.00 H new ATOM 0 HG22 VAL A 631 -5.015 6.995 0.039 1.00 0.00 H new ATOM 0 HG23 VAL A 631 -4.506 5.291 -0.029 1.00 0.00 H new ATOM 2019 N LEU A 632 -2.543 6.962 -0.693 1.00 0.00 N ATOM 2020 CA LEU A 632 -1.872 7.591 -1.815 1.00 0.00 C ATOM 2021 C LEU A 632 -2.834 7.884 -2.949 1.00 0.00 C ATOM 2022 O LEU A 632 -3.803 7.158 -3.157 1.00 0.00 O ATOM 2023 CB LEU A 632 -0.746 6.669 -2.279 1.00 0.00 C ATOM 2024 CG LEU A 632 0.211 6.250 -1.158 1.00 0.00 C ATOM 2025 CD1 LEU A 632 1.019 5.030 -1.561 1.00 0.00 C ATOM 2026 CD2 LEU A 632 1.132 7.402 -0.788 1.00 0.00 C ATOM 0 H LEU A 632 -2.963 6.056 -0.900 1.00 0.00 H new ATOM 0 HA LEU A 632 -1.463 8.550 -1.498 1.00 0.00 H new ATOM 0 HB2 LEU A 632 -1.182 5.775 -2.725 1.00 0.00 H new ATOM 0 HB3 LEU A 632 -0.177 7.171 -3.061 1.00 0.00 H new ATOM 0 HG LEU A 632 -0.384 5.986 -0.284 1.00 0.00 H new ATOM 0 HD11 LEU A 632 1.690 4.753 -0.748 1.00 0.00 H new ATOM 0 HD12 LEU A 632 0.344 4.200 -1.773 1.00 0.00 H new ATOM 0 HD13 LEU A 632 1.604 5.259 -2.452 1.00 0.00 H new ATOM 0 HD21 LEU A 632 1.805 7.088 0.010 1.00 0.00 H new ATOM 0 HD22 LEU A 632 1.715 7.696 -1.661 1.00 0.00 H new ATOM 0 HD23 LEU A 632 0.536 8.249 -0.447 1.00 0.00 H new ATOM 2038 N GLN A 633 -2.554 8.958 -3.666 1.00 0.00 N ATOM 2039 CA GLN A 633 -3.386 9.396 -4.772 1.00 0.00 C ATOM 2040 C GLN A 633 -2.519 9.979 -5.881 1.00 0.00 C ATOM 2041 O GLN A 633 -1.750 10.912 -5.647 1.00 0.00 O ATOM 2042 CB GLN A 633 -4.390 10.442 -4.287 1.00 0.00 C ATOM 2043 CG GLN A 633 -5.269 11.015 -5.387 1.00 0.00 C ATOM 2044 CD GLN A 633 -6.209 12.092 -4.882 1.00 0.00 C ATOM 2045 OE1 GLN A 633 -6.624 11.983 -3.629 1.00 0.00 O flip ATOM 2046 NE2 GLN A 633 -6.560 13.016 -5.614 1.00 0.00 N flip ATOM 0 H GLN A 633 -1.742 9.552 -3.497 1.00 0.00 H new ATOM 0 HA GLN A 633 -3.931 8.538 -5.166 1.00 0.00 H new ATOM 0 HB2 GLN A 633 -5.027 9.993 -3.525 1.00 0.00 H new ATOM 0 HB3 GLN A 633 -3.847 11.257 -3.809 1.00 0.00 H new ATOM 0 HG2 GLN A 633 -4.637 11.429 -6.173 1.00 0.00 H new ATOM 0 HG3 GLN A 633 -5.852 10.211 -5.837 1.00 0.00 H new ATOM 0 HE21 GLN A 633 -6.218 13.064 -6.574 1.00 0.00 H new ATOM 0 HE22 GLN A 633 -7.193 13.734 -5.261 1.00 0.00 H new ATOM 2055 N ALA A 634 -2.624 9.407 -7.072 1.00 0.00 N ATOM 2056 CA ALA A 634 -1.901 9.918 -8.227 1.00 0.00 C ATOM 2057 C ALA A 634 -2.778 10.894 -9.003 1.00 0.00 C ATOM 2058 O ALA A 634 -2.838 12.080 -8.613 1.00 0.00 O ATOM 2059 CB ALA A 634 -1.443 8.775 -9.124 1.00 0.00 C ATOM 2060 OXT ALA A 634 -3.411 10.473 -9.993 1.00 0.00 O1- ATOM 0 H ALA A 634 -3.203 8.589 -7.263 1.00 0.00 H new ATOM 0 HA ALA A 634 -1.015 10.448 -7.878 1.00 0.00 H new ATOM 0 HB1 ALA A 634 -0.905 9.179 -9.981 1.00 0.00 H new ATOM 0 HB2 ALA A 634 -0.785 8.112 -8.562 1.00 0.00 H new ATOM 0 HB3 ALA A 634 -2.311 8.215 -9.472 1.00 0.00 H new TER 2066 ALA A 634