USER MOD reduce.3.24.130724 H: found=0, std=0, add=1048, rem=0, adj=25 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 -16:sc= 0.81 USER MOD Set 1.2: A 609 ASN : amide:sc= -11.5! C(o=-11!,f=-14!) USER MOD Set 2.1: A 506 MET CE :methyl -134:sc= 0 (180deg=-1.71) USER MOD Set 2.2: A 528 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 516 SER OG : rot -98:sc= 1.49 USER MOD Set 3.2: A 544 ASN : amide:sc= -0.55 X(o=0.94,f=1.2) USER MOD Single : A 502 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 504 THR OG1 : rot 158:sc= 0.956 USER MOD Single : A 510 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 513 ASN : amide:sc= -0.687 X(o=-0.69,f=-0.19) USER MOD Single : A 517 MET CE :methyl -174:sc= -5.42! (180deg=-6.01!) USER MOD Single : A 523 GLN : amide:sc= -0.412 X(o=-0.41,f=-0.008) USER MOD Single : A 524 SER OG : rot 180:sc= 0 USER MOD Single : A 530 THR OG1 : rot -130:sc= 0 USER MOD Single : A 532 ASN :FLIP amide:sc= -0.601 F(o=-2,f=-0.6) USER MOD Single : A 537 TYR OH : rot -113:sc= 0.273 USER MOD Single : A 538 THR OG1 : rot 112:sc= 1.03 USER MOD Single : A 543 THR OG1 : rot -169:sc= 0.104 USER MOD Single : A 556 SER OG : rot -0:sc= 0.974 USER MOD Single : A 563 LYS NZ :NH3+ -150:sc= 1.16 (180deg=-0.137) USER MOD Single : A 567 ASN : amide:sc=-0.00903 X(o=-0.009,f=0) USER MOD Single : A 570 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 572 HIS :FLIP no HE2:sc= -1.65 F(o=-5.6!,f=-1.6) USER MOD Single : A 580 SER OG : rot -20:sc= -1.95 USER MOD Single : A 590 LYS NZ :NH3+ -131:sc= 1.26 (180deg=0.828) USER MOD Single : A 591 SER OG : rot -66:sc= -0.308 USER MOD Single : A 593 GLN : amide:sc= 1.39 K(o=1.4,f=-2.3) USER MOD Single : A 596 LYS NZ :NH3+ 173:sc= 1.16 (180deg=1.1) USER MOD Single : A 600 SER OG : rot 43:sc= 1.29 USER MOD Single : A 602 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 603 ASN : amide:sc= -0.134 X(o=-0.13,f=-0.22) USER MOD Single : A 604 ASN : amide:sc= -0.104 X(o=-0.1,f=-0.1) USER MOD Single : A 607 SER OG : rot 180:sc= 0 USER MOD Single : A 610 LYS NZ :NH3+ -121:sc= 0.145 (180deg=-0.171) USER MOD Single : A 619 MET CE :methyl 139:sc= -0.313 (180deg=-1.42!) USER MOD Single : A 621 THR OG1 : rot 100:sc= -0.854! USER MOD Single : A 622 ASN : amide:sc= -1.94! C(o=-1.9!,f=-16!) USER MOD Single : A 626 HIS : no HD1:sc= -0.413 K(o=-0.41,f=-5!) USER MOD Single : A 629 THR OG1 : rot 180:sc= 0 USER MOD Single : A 630 ASN : amide:sc= 0.998 K(o=1,f=-7.3!) USER MOD Single : A 633 GLN : amide:sc= -0.748! C(o=-0.75!,f=-3.6!) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 500 -3.483 -19.416 10.352 1.00 0.00 N ATOM 2 CA ALA A 500 -2.668 -19.952 11.470 1.00 0.00 C ATOM 3 C ALA A 500 -1.234 -19.449 11.376 1.00 0.00 C ATOM 4 O ALA A 500 -0.729 -18.810 12.299 1.00 0.00 O ATOM 5 CB ALA A 500 -2.695 -21.474 11.476 1.00 0.00 C ATOM 0 HA ALA A 500 -3.100 -19.597 12.405 1.00 0.00 H new ATOM 0 HB1 ALA A 500 -2.091 -21.845 12.304 1.00 0.00 H new ATOM 0 HB2 ALA A 500 -3.722 -21.819 11.593 1.00 0.00 H new ATOM 0 HB3 ALA A 500 -2.291 -21.849 10.536 1.00 0.00 H new ATOM 13 N GLY A 501 -0.581 -19.738 10.260 1.00 0.00 N ATOM 14 CA GLY A 501 0.778 -19.280 10.065 1.00 0.00 C ATOM 15 C GLY A 501 0.824 -17.876 9.506 1.00 0.00 C ATOM 16 O GLY A 501 0.060 -17.010 9.931 1.00 0.00 O ATOM 0 H GLY A 501 -0.968 -20.281 9.488 1.00 0.00 H new ATOM 0 HA2 GLY A 501 1.311 -19.310 11.015 1.00 0.00 H new ATOM 0 HA3 GLY A 501 1.296 -19.958 9.387 1.00 0.00 H new ATOM 20 N MET A 502 1.709 -17.650 8.553 1.00 0.00 N ATOM 21 CA MET A 502 1.811 -16.354 7.903 1.00 0.00 C ATOM 22 C MET A 502 1.500 -16.491 6.420 1.00 0.00 C ATOM 23 O MET A 502 2.047 -17.360 5.735 1.00 0.00 O ATOM 24 CB MET A 502 3.203 -15.745 8.106 1.00 0.00 C ATOM 25 CG MET A 502 3.564 -15.512 9.568 1.00 0.00 C ATOM 26 SD MET A 502 2.450 -14.358 10.396 1.00 0.00 S ATOM 27 CE MET A 502 3.087 -14.417 12.074 1.00 0.00 C ATOM 0 H MET A 502 2.369 -18.348 8.210 1.00 0.00 H new ATOM 0 HA MET A 502 1.083 -15.682 8.357 1.00 0.00 H new ATOM 0 HB2 MET A 502 3.947 -16.404 7.658 1.00 0.00 H new ATOM 0 HB3 MET A 502 3.256 -14.796 7.573 1.00 0.00 H new ATOM 0 HG2 MET A 502 3.549 -16.465 10.096 1.00 0.00 H new ATOM 0 HG3 MET A 502 4.583 -15.131 9.628 1.00 0.00 H new ATOM 0 HE1 MET A 502 2.500 -13.754 12.709 1.00 0.00 H new ATOM 0 HE2 MET A 502 3.019 -15.437 12.453 1.00 0.00 H new ATOM 0 HE3 MET A 502 4.129 -14.097 12.079 1.00 0.00 H new ATOM 37 N GLY A 503 0.601 -15.655 5.938 1.00 0.00 N ATOM 38 CA GLY A 503 0.157 -15.743 4.565 1.00 0.00 C ATOM 39 C GLY A 503 0.851 -14.769 3.648 1.00 0.00 C ATOM 40 O GLY A 503 2.027 -14.436 3.824 1.00 0.00 O ATOM 0 H GLY A 503 0.165 -14.908 6.479 1.00 0.00 H new ATOM 0 HA2 GLY A 503 0.325 -16.756 4.201 1.00 0.00 H new ATOM 0 HA3 GLY A 503 -0.918 -15.565 4.526 1.00 0.00 H new ATOM 44 N THR A 504 0.094 -14.310 2.671 1.00 0.00 N ATOM 45 CA THR A 504 0.562 -13.344 1.704 1.00 0.00 C ATOM 46 C THR A 504 0.375 -11.932 2.241 1.00 0.00 C ATOM 47 O THR A 504 0.044 -11.753 3.408 1.00 0.00 O ATOM 48 CB THR A 504 -0.236 -13.481 0.404 1.00 0.00 C ATOM 49 OG1 THR A 504 -1.627 -13.272 0.682 1.00 0.00 O ATOM 50 CG2 THR A 504 -0.045 -14.856 -0.220 1.00 0.00 C ATOM 0 H THR A 504 -0.873 -14.602 2.527 1.00 0.00 H new ATOM 0 HA THR A 504 1.619 -13.529 1.515 1.00 0.00 H new ATOM 0 HB THR A 504 0.126 -12.734 -0.303 1.00 0.00 H new ATOM 0 HG1 THR A 504 -2.089 -13.010 -0.141 1.00 0.00 H new ATOM 0 HG21 THR A 504 -0.624 -14.921 -1.141 1.00 0.00 H new ATOM 0 HG22 THR A 504 1.011 -15.011 -0.444 1.00 0.00 H new ATOM 0 HG23 THR A 504 -0.384 -15.622 0.477 1.00 0.00 H new ATOM 58 N VAL A 505 0.596 -10.945 1.382 1.00 0.00 N ATOM 59 CA VAL A 505 0.319 -9.545 1.703 1.00 0.00 C ATOM 60 C VAL A 505 -1.029 -9.396 2.404 1.00 0.00 C ATOM 61 O VAL A 505 -1.131 -8.709 3.413 1.00 0.00 O ATOM 62 CB VAL A 505 0.323 -8.671 0.425 1.00 0.00 C ATOM 63 CG1 VAL A 505 -0.305 -7.304 0.680 1.00 0.00 C ATOM 64 CG2 VAL A 505 1.737 -8.509 -0.110 1.00 0.00 C ATOM 0 H VAL A 505 0.971 -11.089 0.445 1.00 0.00 H new ATOM 0 HA VAL A 505 1.110 -9.208 2.373 1.00 0.00 H new ATOM 0 HB VAL A 505 -0.280 -9.183 -0.324 1.00 0.00 H new ATOM 0 HG11 VAL A 505 -0.285 -6.717 -0.239 1.00 0.00 H new ATOM 0 HG12 VAL A 505 -1.337 -7.433 1.006 1.00 0.00 H new ATOM 0 HG13 VAL A 505 0.258 -6.784 1.455 1.00 0.00 H new ATOM 0 HG21 VAL A 505 1.718 -7.892 -1.008 1.00 0.00 H new ATOM 0 HG22 VAL A 505 2.359 -8.030 0.646 1.00 0.00 H new ATOM 0 HG23 VAL A 505 2.149 -9.489 -0.352 1.00 0.00 H new ATOM 74 N MET A 506 -2.048 -10.071 1.886 1.00 0.00 N ATOM 75 CA MET A 506 -3.377 -9.971 2.430 1.00 0.00 C ATOM 76 C MET A 506 -3.424 -10.508 3.860 1.00 0.00 C ATOM 77 O MET A 506 -4.056 -9.907 4.725 1.00 0.00 O ATOM 78 CB MET A 506 -4.350 -10.736 1.547 1.00 0.00 C ATOM 79 CG MET A 506 -5.767 -10.271 1.743 1.00 0.00 C ATOM 80 SD MET A 506 -6.055 -8.651 1.009 1.00 0.00 S ATOM 81 CE MET A 506 -7.669 -8.258 1.669 1.00 0.00 C ATOM 0 H MET A 506 -1.968 -10.696 1.084 1.00 0.00 H new ATOM 0 HA MET A 506 -3.664 -8.920 2.456 1.00 0.00 H new ATOM 0 HB2 MET A 506 -4.068 -10.611 0.502 1.00 0.00 H new ATOM 0 HB3 MET A 506 -4.283 -11.801 1.770 1.00 0.00 H new ATOM 0 HG2 MET A 506 -6.451 -10.996 1.301 1.00 0.00 H new ATOM 0 HG3 MET A 506 -5.991 -10.231 2.809 1.00 0.00 H new ATOM 0 HE1 MET A 506 -8.305 -7.876 0.871 1.00 0.00 H new ATOM 0 HE2 MET A 506 -8.118 -9.157 2.092 1.00 0.00 H new ATOM 0 HE3 MET A 506 -7.570 -7.501 2.447 1.00 0.00 H new ATOM 91 N ASP A 507 -2.753 -11.637 4.111 1.00 0.00 N ATOM 92 CA ASP A 507 -2.704 -12.197 5.459 1.00 0.00 C ATOM 93 C ASP A 507 -1.904 -11.295 6.385 1.00 0.00 C ATOM 94 O ASP A 507 -2.248 -11.128 7.554 1.00 0.00 O ATOM 95 CB ASP A 507 -2.079 -13.581 5.439 1.00 0.00 C ATOM 96 CG ASP A 507 -2.186 -14.285 6.778 1.00 0.00 C ATOM 97 OD1 ASP A 507 -3.286 -14.777 7.112 1.00 0.00 O ATOM 98 OD2 ASP A 507 -1.170 -14.361 7.496 1.00 0.00 O1- ATOM 0 H ASP A 507 -2.244 -12.172 3.407 1.00 0.00 H new ATOM 0 HA ASP A 507 -3.727 -12.271 5.829 1.00 0.00 H new ATOM 0 HB2 ASP A 507 -2.567 -14.185 4.674 1.00 0.00 H new ATOM 0 HB3 ASP A 507 -1.029 -13.498 5.158 1.00 0.00 H new ATOM 103 N VAL A 508 -0.833 -10.717 5.846 1.00 0.00 N ATOM 104 CA VAL A 508 -0.035 -9.729 6.580 1.00 0.00 C ATOM 105 C VAL A 508 -0.926 -8.642 7.166 1.00 0.00 C ATOM 106 O VAL A 508 -0.743 -8.211 8.302 1.00 0.00 O ATOM 107 CB VAL A 508 1.051 -9.085 5.683 1.00 0.00 C ATOM 108 CG1 VAL A 508 1.784 -7.973 6.419 1.00 0.00 C ATOM 109 CG2 VAL A 508 2.038 -10.141 5.212 1.00 0.00 C ATOM 0 H VAL A 508 -0.495 -10.914 4.904 1.00 0.00 H new ATOM 0 HA VAL A 508 0.464 -10.261 7.390 1.00 0.00 H new ATOM 0 HB VAL A 508 0.556 -8.648 4.816 1.00 0.00 H new ATOM 0 HG11 VAL A 508 2.540 -7.540 5.764 1.00 0.00 H new ATOM 0 HG12 VAL A 508 1.073 -7.201 6.713 1.00 0.00 H new ATOM 0 HG13 VAL A 508 2.265 -8.381 7.308 1.00 0.00 H new ATOM 0 HG21 VAL A 508 2.796 -9.675 4.582 1.00 0.00 H new ATOM 0 HG22 VAL A 508 2.517 -10.602 6.076 1.00 0.00 H new ATOM 0 HG23 VAL A 508 1.510 -10.904 4.640 1.00 0.00 H new ATOM 119 N LEU A 509 -1.903 -8.222 6.389 1.00 0.00 N ATOM 120 CA LEU A 509 -2.805 -7.169 6.810 1.00 0.00 C ATOM 121 C LEU A 509 -3.909 -7.737 7.695 1.00 0.00 C ATOM 122 O LEU A 509 -4.360 -7.095 8.641 1.00 0.00 O ATOM 123 CB LEU A 509 -3.383 -6.477 5.575 1.00 0.00 C ATOM 124 CG LEU A 509 -2.389 -6.310 4.423 1.00 0.00 C ATOM 125 CD1 LEU A 509 -2.979 -5.456 3.316 1.00 0.00 C ATOM 126 CD2 LEU A 509 -1.062 -5.751 4.923 1.00 0.00 C ATOM 0 H LEU A 509 -2.093 -8.595 5.459 1.00 0.00 H new ATOM 0 HA LEU A 509 -2.259 -6.433 7.400 1.00 0.00 H new ATOM 0 HB2 LEU A 509 -4.240 -7.050 5.220 1.00 0.00 H new ATOM 0 HB3 LEU A 509 -3.754 -5.494 5.864 1.00 0.00 H new ATOM 0 HG LEU A 509 -2.188 -7.295 4.001 1.00 0.00 H new ATOM 0 HD11 LEU A 509 -2.253 -5.353 2.510 1.00 0.00 H new ATOM 0 HD12 LEU A 509 -3.882 -5.931 2.932 1.00 0.00 H new ATOM 0 HD13 LEU A 509 -3.227 -4.470 3.710 1.00 0.00 H new ATOM 0 HD21 LEU A 509 -0.374 -5.642 4.085 1.00 0.00 H new ATOM 0 HD22 LEU A 509 -1.228 -4.778 5.385 1.00 0.00 H new ATOM 0 HD23 LEU A 509 -0.634 -6.433 5.658 1.00 0.00 H new ATOM 138 N LYS A 510 -4.329 -8.958 7.378 1.00 0.00 N ATOM 139 CA LYS A 510 -5.358 -9.657 8.142 1.00 0.00 C ATOM 140 C LYS A 510 -4.942 -9.867 9.592 1.00 0.00 C ATOM 141 O LYS A 510 -5.753 -9.716 10.509 1.00 0.00 O ATOM 142 CB LYS A 510 -5.667 -11.019 7.507 1.00 0.00 C ATOM 143 CG LYS A 510 -6.813 -10.993 6.510 1.00 0.00 C ATOM 144 CD LYS A 510 -8.146 -10.760 7.205 1.00 0.00 C ATOM 145 CE LYS A 510 -8.480 -11.882 8.186 1.00 0.00 C ATOM 146 NZ LYS A 510 -9.757 -11.632 8.906 1.00 0.00 N1+ ATOM 0 H LYS A 510 -3.967 -9.490 6.587 1.00 0.00 H new ATOM 0 HA LYS A 510 -6.249 -9.030 8.125 1.00 0.00 H new ATOM 0 HB2 LYS A 510 -4.771 -11.385 7.005 1.00 0.00 H new ATOM 0 HB3 LYS A 510 -5.903 -11.731 8.298 1.00 0.00 H new ATOM 0 HG2 LYS A 510 -6.641 -10.206 5.776 1.00 0.00 H new ATOM 0 HG3 LYS A 510 -6.845 -11.936 5.965 1.00 0.00 H new ATOM 0 HD2 LYS A 510 -8.117 -9.809 7.737 1.00 0.00 H new ATOM 0 HD3 LYS A 510 -8.936 -10.683 6.458 1.00 0.00 H new ATOM 0 HE2 LYS A 510 -8.547 -12.827 7.647 1.00 0.00 H new ATOM 0 HE3 LYS A 510 -7.671 -11.984 8.909 1.00 0.00 H new ATOM 0 HZ1 LYS A 510 -9.946 -12.417 9.561 1.00 0.00 H new ATOM 0 HZ2 LYS A 510 -9.685 -10.744 9.442 1.00 0.00 H new ATOM 0 HZ3 LYS A 510 -10.535 -11.560 8.219 1.00 0.00 H new ATOM 160 N GLY A 511 -3.679 -10.212 9.787 1.00 0.00 N ATOM 161 CA GLY A 511 -3.207 -10.578 11.099 1.00 0.00 C ATOM 162 C GLY A 511 -2.665 -9.413 11.901 1.00 0.00 C ATOM 163 O GLY A 511 -2.451 -9.540 13.111 1.00 0.00 O ATOM 0 H GLY A 511 -2.971 -10.244 9.053 1.00 0.00 H new ATOM 0 HA2 GLY A 511 -4.024 -11.039 11.653 1.00 0.00 H new ATOM 0 HA3 GLY A 511 -2.426 -11.331 10.997 1.00 0.00 H new ATOM 167 N ASP A 512 -2.441 -8.282 11.251 1.00 0.00 N ATOM 168 CA ASP A 512 -1.866 -7.128 11.932 1.00 0.00 C ATOM 169 C ASP A 512 -2.936 -6.087 12.247 1.00 0.00 C ATOM 170 O ASP A 512 -3.838 -5.837 11.450 1.00 0.00 O ATOM 171 CB ASP A 512 -0.748 -6.490 11.108 1.00 0.00 C ATOM 172 CG ASP A 512 0.055 -5.506 11.932 1.00 0.00 C ATOM 173 OD1 ASP A 512 -0.414 -4.367 12.122 1.00 0.00 O ATOM 174 OD2 ASP A 512 1.150 -5.867 12.412 1.00 0.00 O1- ATOM 0 H ASP A 512 -2.645 -8.137 10.262 1.00 0.00 H new ATOM 0 HA ASP A 512 -1.440 -7.489 12.868 1.00 0.00 H new ATOM 0 HB2 ASP A 512 -0.088 -7.268 10.723 1.00 0.00 H new ATOM 0 HB3 ASP A 512 -1.176 -5.980 10.245 1.00 0.00 H new ATOM 179 N ASN A 513 -2.813 -5.482 13.415 1.00 0.00 N ATOM 180 CA ASN A 513 -3.807 -4.543 13.916 1.00 0.00 C ATOM 181 C ASN A 513 -3.725 -3.181 13.230 1.00 0.00 C ATOM 182 O ASN A 513 -4.725 -2.466 13.147 1.00 0.00 O ATOM 183 CB ASN A 513 -3.660 -4.372 15.431 1.00 0.00 C ATOM 184 CG ASN A 513 -2.231 -4.090 15.858 1.00 0.00 C ATOM 185 OD1 ASN A 513 -1.794 -2.940 15.910 1.00 0.00 O ATOM 186 ND2 ASN A 513 -1.492 -5.144 16.172 1.00 0.00 N ATOM 0 H ASN A 513 -2.023 -5.626 14.044 1.00 0.00 H new ATOM 0 HA ASN A 513 -4.785 -4.965 13.686 1.00 0.00 H new ATOM 0 HB2 ASN A 513 -4.301 -3.555 15.763 1.00 0.00 H new ATOM 0 HB3 ASN A 513 -4.011 -5.276 15.929 1.00 0.00 H new ATOM 0 HD21 ASN A 513 -0.525 -5.018 16.470 1.00 0.00 H new ATOM 0 HD22 ASN A 513 -1.891 -6.081 16.116 1.00 0.00 H new ATOM 193 N ARG A 514 -2.556 -2.820 12.720 1.00 0.00 N ATOM 194 CA ARG A 514 -2.373 -1.487 12.156 1.00 0.00 C ATOM 195 C ARG A 514 -2.878 -1.449 10.713 1.00 0.00 C ATOM 196 O ARG A 514 -3.114 -0.382 10.151 1.00 0.00 O ATOM 197 CB ARG A 514 -0.897 -1.056 12.247 1.00 0.00 C ATOM 198 CG ARG A 514 -0.021 -1.525 11.095 1.00 0.00 C ATOM 199 CD ARG A 514 1.445 -1.599 11.497 1.00 0.00 C ATOM 200 NE ARG A 514 1.715 -2.789 12.300 1.00 0.00 N ATOM 201 CZ ARG A 514 2.807 -2.984 13.039 1.00 0.00 C ATOM 202 NH1 ARG A 514 3.748 -2.050 13.125 1.00 0.00 N1+ ATOM 203 NH2 ARG A 514 2.962 -4.135 13.681 1.00 0.00 N ATOM 0 H ARG A 514 -1.731 -3.419 12.684 1.00 0.00 H new ATOM 0 HA ARG A 514 -2.960 -0.776 12.737 1.00 0.00 H new ATOM 0 HB2 ARG A 514 -0.854 0.032 12.298 1.00 0.00 H new ATOM 0 HB3 ARG A 514 -0.480 -1.435 13.180 1.00 0.00 H new ATOM 0 HG2 ARG A 514 -0.356 -2.506 10.759 1.00 0.00 H new ATOM 0 HG3 ARG A 514 -0.133 -0.844 10.252 1.00 0.00 H new ATOM 0 HD2 ARG A 514 2.069 -1.611 10.604 1.00 0.00 H new ATOM 0 HD3 ARG A 514 1.715 -0.707 12.062 1.00 0.00 H new ATOM 0 HE ARG A 514 1.013 -3.529 12.295 1.00 0.00 H new ATOM 0 HH11 ARG A 514 3.640 -1.169 12.622 1.00 0.00 H new ATOM 0 HH12 ARG A 514 4.578 -2.213 13.695 1.00 0.00 H new ATOM 0 HH21 ARG A 514 2.249 -4.861 13.606 1.00 0.00 H new ATOM 0 HH22 ARG A 514 3.794 -4.294 14.249 1.00 0.00 H new ATOM 217 N PHE A 515 -3.065 -2.631 10.130 1.00 0.00 N ATOM 218 CA PHE A 515 -3.579 -2.755 8.779 1.00 0.00 C ATOM 219 C PHE A 515 -5.000 -3.311 8.800 1.00 0.00 C ATOM 220 O PHE A 515 -5.511 -3.780 7.785 1.00 0.00 O ATOM 221 CB PHE A 515 -2.688 -3.692 7.978 1.00 0.00 C ATOM 222 CG PHE A 515 -1.247 -3.271 7.909 1.00 0.00 C ATOM 223 CD1 PHE A 515 -0.901 -1.962 7.602 1.00 0.00 C ATOM 224 CD2 PHE A 515 -0.237 -4.195 8.134 1.00 0.00 C ATOM 225 CE1 PHE A 515 0.423 -1.588 7.520 1.00 0.00 C ATOM 226 CE2 PHE A 515 1.090 -3.821 8.057 1.00 0.00 C ATOM 227 CZ PHE A 515 1.421 -2.518 7.747 1.00 0.00 C ATOM 0 H PHE A 515 -2.864 -3.523 10.583 1.00 0.00 H new ATOM 0 HA PHE A 515 -3.589 -1.768 8.317 1.00 0.00 H new ATOM 0 HB2 PHE A 515 -2.742 -4.688 8.417 1.00 0.00 H new ATOM 0 HB3 PHE A 515 -3.080 -3.768 6.964 1.00 0.00 H new ATOM 0 HD1 PHE A 515 -1.676 -1.231 7.426 1.00 0.00 H new ATOM 0 HD2 PHE A 515 -0.491 -5.217 8.372 1.00 0.00 H new ATOM 0 HE1 PHE A 515 0.681 -0.568 7.278 1.00 0.00 H new ATOM 0 HE2 PHE A 515 1.868 -4.548 8.239 1.00 0.00 H new ATOM 0 HZ PHE A 515 2.458 -2.225 7.682 1.00 0.00 H new ATOM 237 N SER A 516 -5.635 -3.234 9.959 1.00 0.00 N ATOM 238 CA SER A 516 -6.936 -3.851 10.184 1.00 0.00 C ATOM 239 C SER A 516 -8.009 -3.364 9.206 1.00 0.00 C ATOM 240 O SER A 516 -8.556 -4.153 8.435 1.00 0.00 O ATOM 241 CB SER A 516 -7.350 -3.571 11.625 1.00 0.00 C ATOM 242 OG SER A 516 -7.158 -2.199 11.936 1.00 0.00 O ATOM 0 H SER A 516 -5.264 -2.742 10.772 1.00 0.00 H new ATOM 0 HA SER A 516 -6.844 -4.923 10.008 1.00 0.00 H new ATOM 0 HB2 SER A 516 -8.396 -3.840 11.769 1.00 0.00 H new ATOM 0 HB3 SER A 516 -6.765 -4.190 12.305 1.00 0.00 H new ATOM 0 HG SER A 516 -6.308 -2.087 12.411 1.00 0.00 H new ATOM 248 N MET A 517 -8.306 -2.075 9.220 1.00 0.00 N ATOM 249 CA MET A 517 -9.343 -1.543 8.349 1.00 0.00 C ATOM 250 C MET A 517 -8.869 -1.566 6.898 1.00 0.00 C ATOM 251 O MET A 517 -9.676 -1.537 5.971 1.00 0.00 O ATOM 252 CB MET A 517 -9.721 -0.126 8.758 1.00 0.00 C ATOM 253 CG MET A 517 -11.060 0.331 8.200 1.00 0.00 C ATOM 254 SD MET A 517 -10.975 1.983 7.490 1.00 0.00 S ATOM 255 CE MET A 517 -9.852 1.673 6.130 1.00 0.00 C ATOM 0 H MET A 517 -7.851 -1.384 9.817 1.00 0.00 H new ATOM 0 HA MET A 517 -10.228 -2.171 8.444 1.00 0.00 H new ATOM 0 HB2 MET A 517 -9.751 -0.066 9.846 1.00 0.00 H new ATOM 0 HB3 MET A 517 -8.943 0.560 8.422 1.00 0.00 H new ATOM 0 HG2 MET A 517 -11.393 -0.373 7.438 1.00 0.00 H new ATOM 0 HG3 MET A 517 -11.806 0.317 8.994 1.00 0.00 H new ATOM 0 HE1 MET A 517 -9.602 2.615 5.642 1.00 0.00 H new ATOM 0 HE2 MET A 517 -8.942 1.208 6.509 1.00 0.00 H new ATOM 0 HE3 MET A 517 -10.328 1.007 5.410 1.00 0.00 H new ATOM 265 N LEU A 518 -7.551 -1.626 6.720 1.00 0.00 N ATOM 266 CA LEU A 518 -6.944 -1.731 5.396 1.00 0.00 C ATOM 267 C LEU A 518 -7.475 -2.961 4.688 1.00 0.00 C ATOM 268 O LEU A 518 -7.845 -2.900 3.517 1.00 0.00 O ATOM 269 CB LEU A 518 -5.422 -1.821 5.518 1.00 0.00 C ATOM 270 CG LEU A 518 -4.649 -1.951 4.201 1.00 0.00 C ATOM 271 CD1 LEU A 518 -4.968 -0.797 3.261 1.00 0.00 C ATOM 272 CD2 LEU A 518 -3.154 -2.011 4.473 1.00 0.00 C ATOM 0 H LEU A 518 -6.877 -1.603 7.485 1.00 0.00 H new ATOM 0 HA LEU A 518 -7.199 -0.842 4.818 1.00 0.00 H new ATOM 0 HB2 LEU A 518 -5.066 -0.932 6.039 1.00 0.00 H new ATOM 0 HB3 LEU A 518 -5.178 -2.678 6.146 1.00 0.00 H new ATOM 0 HG LEU A 518 -4.959 -2.877 3.716 1.00 0.00 H new ATOM 0 HD11 LEU A 518 -4.405 -0.916 2.335 1.00 0.00 H new ATOM 0 HD12 LEU A 518 -6.035 -0.793 3.039 1.00 0.00 H new ATOM 0 HD13 LEU A 518 -4.692 0.145 3.735 1.00 0.00 H new ATOM 0 HD21 LEU A 518 -2.616 -2.103 3.530 1.00 0.00 H new ATOM 0 HD22 LEU A 518 -2.840 -1.100 4.982 1.00 0.00 H new ATOM 0 HD23 LEU A 518 -2.933 -2.873 5.103 1.00 0.00 H new ATOM 284 N VAL A 519 -7.520 -4.070 5.417 1.00 0.00 N ATOM 285 CA VAL A 519 -8.075 -5.318 4.890 1.00 0.00 C ATOM 286 C VAL A 519 -9.460 -5.090 4.299 1.00 0.00 C ATOM 287 O VAL A 519 -9.752 -5.523 3.187 1.00 0.00 O ATOM 288 CB VAL A 519 -8.207 -6.391 5.988 1.00 0.00 C ATOM 289 CG1 VAL A 519 -8.479 -7.756 5.382 1.00 0.00 C ATOM 290 CG2 VAL A 519 -6.974 -6.418 6.860 1.00 0.00 C ATOM 0 H VAL A 519 -7.179 -4.134 6.376 1.00 0.00 H new ATOM 0 HA VAL A 519 -7.383 -5.662 4.121 1.00 0.00 H new ATOM 0 HB VAL A 519 -9.058 -6.131 6.617 1.00 0.00 H new ATOM 0 HG11 VAL A 519 -8.568 -8.496 6.177 1.00 0.00 H new ATOM 0 HG12 VAL A 519 -9.407 -7.723 4.812 1.00 0.00 H new ATOM 0 HG13 VAL A 519 -7.657 -8.031 4.721 1.00 0.00 H new ATOM 0 HG21 VAL A 519 -7.088 -7.183 7.628 1.00 0.00 H new ATOM 0 HG22 VAL A 519 -6.101 -6.646 6.249 1.00 0.00 H new ATOM 0 HG23 VAL A 519 -6.842 -5.445 7.333 1.00 0.00 H new ATOM 300 N ALA A 520 -10.297 -4.399 5.053 1.00 0.00 N ATOM 301 CA ALA A 520 -11.677 -4.152 4.649 1.00 0.00 C ATOM 302 C ALA A 520 -11.758 -3.251 3.414 1.00 0.00 C ATOM 303 O ALA A 520 -12.586 -3.479 2.533 1.00 0.00 O ATOM 304 CB ALA A 520 -12.458 -3.542 5.803 1.00 0.00 C ATOM 0 H ALA A 520 -10.046 -3.995 5.955 1.00 0.00 H new ATOM 0 HA ALA A 520 -12.121 -5.111 4.381 1.00 0.00 H new ATOM 0 HB1 ALA A 520 -13.487 -3.362 5.491 1.00 0.00 H new ATOM 0 HB2 ALA A 520 -12.451 -4.228 6.650 1.00 0.00 H new ATOM 0 HB3 ALA A 520 -11.997 -2.599 6.096 1.00 0.00 H new ATOM 310 N ALA A 521 -10.898 -2.238 3.341 1.00 0.00 N ATOM 311 CA ALA A 521 -10.882 -1.345 2.183 1.00 0.00 C ATOM 312 C ALA A 521 -10.480 -2.111 0.926 1.00 0.00 C ATOM 313 O ALA A 521 -11.079 -1.946 -0.136 1.00 0.00 O ATOM 314 CB ALA A 521 -9.958 -0.157 2.428 1.00 0.00 C ATOM 0 H ALA A 521 -10.210 -2.016 4.060 1.00 0.00 H new ATOM 0 HA ALA A 521 -11.888 -0.954 2.032 1.00 0.00 H new ATOM 0 HB1 ALA A 521 -9.962 0.493 1.553 1.00 0.00 H new ATOM 0 HB2 ALA A 521 -10.306 0.401 3.297 1.00 0.00 H new ATOM 0 HB3 ALA A 521 -8.945 -0.515 2.609 1.00 0.00 H new ATOM 320 N ILE A 522 -9.486 -2.974 1.057 1.00 0.00 N ATOM 321 CA ILE A 522 -9.061 -3.824 -0.049 1.00 0.00 C ATOM 322 C ILE A 522 -10.132 -4.873 -0.343 1.00 0.00 C ATOM 323 O ILE A 522 -10.297 -5.327 -1.479 1.00 0.00 O ATOM 324 CB ILE A 522 -7.734 -4.529 0.282 1.00 0.00 C ATOM 325 CG1 ILE A 522 -6.695 -3.501 0.736 1.00 0.00 C ATOM 326 CG2 ILE A 522 -7.225 -5.305 -0.926 1.00 0.00 C ATOM 327 CD1 ILE A 522 -5.446 -4.119 1.312 1.00 0.00 C ATOM 0 H ILE A 522 -8.956 -3.106 1.918 1.00 0.00 H new ATOM 0 HA ILE A 522 -8.915 -3.193 -0.926 1.00 0.00 H new ATOM 0 HB ILE A 522 -7.906 -5.236 1.093 1.00 0.00 H new ATOM 0 HG12 ILE A 522 -6.422 -2.874 -0.113 1.00 0.00 H new ATOM 0 HG13 ILE A 522 -7.145 -2.848 1.483 1.00 0.00 H new ATOM 0 HG21 ILE A 522 -6.286 -5.797 -0.673 1.00 0.00 H new ATOM 0 HG22 ILE A 522 -7.962 -6.055 -1.213 1.00 0.00 H new ATOM 0 HG23 ILE A 522 -7.063 -4.619 -1.757 1.00 0.00 H new ATOM 0 HD11 ILE A 522 -4.755 -3.331 1.612 1.00 0.00 H new ATOM 0 HD12 ILE A 522 -5.707 -4.723 2.181 1.00 0.00 H new ATOM 0 HD13 ILE A 522 -4.972 -4.750 0.560 1.00 0.00 H new ATOM 339 N GLN A 523 -10.865 -5.236 0.698 1.00 0.00 N ATOM 340 CA GLN A 523 -11.928 -6.217 0.600 1.00 0.00 C ATOM 341 C GLN A 523 -13.063 -5.703 -0.282 1.00 0.00 C ATOM 342 O GLN A 523 -13.455 -6.365 -1.240 1.00 0.00 O ATOM 343 CB GLN A 523 -12.444 -6.545 1.999 1.00 0.00 C ATOM 344 CG GLN A 523 -12.775 -8.005 2.195 1.00 0.00 C ATOM 345 CD GLN A 523 -14.040 -8.429 1.471 1.00 0.00 C ATOM 346 OE1 GLN A 523 -15.117 -8.443 2.058 1.00 0.00 O ATOM 347 NE2 GLN A 523 -13.936 -8.704 0.176 1.00 0.00 N ATOM 0 H GLN A 523 -10.737 -4.856 1.636 1.00 0.00 H new ATOM 0 HA GLN A 523 -11.533 -7.123 0.139 1.00 0.00 H new ATOM 0 HB2 GLN A 523 -11.694 -6.250 2.732 1.00 0.00 H new ATOM 0 HB3 GLN A 523 -13.335 -5.949 2.197 1.00 0.00 H new ATOM 0 HG2 GLN A 523 -11.941 -8.611 1.843 1.00 0.00 H new ATOM 0 HG3 GLN A 523 -12.888 -8.206 3.260 1.00 0.00 H new ATOM 0 HE21 GLN A 523 -13.023 -8.682 -0.278 1.00 0.00 H new ATOM 0 HE22 GLN A 523 -14.769 -8.937 -0.364 1.00 0.00 H new ATOM 356 N SER A 524 -13.576 -4.523 0.032 1.00 0.00 N ATOM 357 CA SER A 524 -14.634 -3.916 -0.767 1.00 0.00 C ATOM 358 C SER A 524 -14.127 -3.565 -2.169 1.00 0.00 C ATOM 359 O SER A 524 -14.913 -3.327 -3.086 1.00 0.00 O ATOM 360 CB SER A 524 -15.177 -2.677 -0.055 1.00 0.00 C ATOM 361 OG SER A 524 -15.672 -3.014 1.234 1.00 0.00 O ATOM 0 H SER A 524 -13.278 -3.966 0.833 1.00 0.00 H new ATOM 0 HA SER A 524 -15.444 -4.636 -0.881 1.00 0.00 H new ATOM 0 HB2 SER A 524 -14.389 -1.930 0.037 1.00 0.00 H new ATOM 0 HB3 SER A 524 -15.973 -2.229 -0.650 1.00 0.00 H new ATOM 0 HG SER A 524 -16.013 -2.208 1.674 1.00 0.00 H new ATOM 367 N ALA A 525 -12.807 -3.540 -2.325 1.00 0.00 N ATOM 368 CA ALA A 525 -12.200 -3.369 -3.636 1.00 0.00 C ATOM 369 C ALA A 525 -12.189 -4.698 -4.392 1.00 0.00 C ATOM 370 O ALA A 525 -12.030 -4.729 -5.614 1.00 0.00 O ATOM 371 CB ALA A 525 -10.787 -2.814 -3.499 1.00 0.00 C ATOM 0 H ALA A 525 -12.140 -3.636 -1.559 1.00 0.00 H new ATOM 0 HA ALA A 525 -12.793 -2.654 -4.206 1.00 0.00 H new ATOM 0 HB1 ALA A 525 -10.347 -2.692 -4.489 1.00 0.00 H new ATOM 0 HB2 ALA A 525 -10.823 -1.848 -2.996 1.00 0.00 H new ATOM 0 HB3 ALA A 525 -10.180 -3.505 -2.914 1.00 0.00 H new ATOM 377 N GLY A 526 -12.370 -5.799 -3.657 1.00 0.00 N ATOM 378 CA GLY A 526 -12.380 -7.111 -4.272 1.00 0.00 C ATOM 379 C GLY A 526 -10.993 -7.577 -4.658 1.00 0.00 C ATOM 380 O GLY A 526 -10.835 -8.502 -5.453 1.00 0.00 O ATOM 0 H GLY A 526 -12.509 -5.800 -2.647 1.00 0.00 H new ATOM 0 HA2 GLY A 526 -12.823 -7.829 -3.582 1.00 0.00 H new ATOM 0 HA3 GLY A 526 -13.013 -7.089 -5.159 1.00 0.00 H new ATOM 384 N LEU A 527 -9.978 -6.952 -4.081 1.00 0.00 N ATOM 385 CA LEU A 527 -8.605 -7.247 -4.456 1.00 0.00 C ATOM 386 C LEU A 527 -7.964 -8.237 -3.496 1.00 0.00 C ATOM 387 O LEU A 527 -6.741 -8.381 -3.465 1.00 0.00 O ATOM 388 CB LEU A 527 -7.775 -5.967 -4.524 1.00 0.00 C ATOM 389 CG LEU A 527 -8.283 -4.916 -5.514 1.00 0.00 C ATOM 390 CD1 LEU A 527 -7.375 -3.700 -5.514 1.00 0.00 C ATOM 391 CD2 LEU A 527 -8.381 -5.502 -6.914 1.00 0.00 C ATOM 0 H LEU A 527 -10.078 -6.242 -3.356 1.00 0.00 H new ATOM 0 HA LEU A 527 -8.629 -7.704 -5.445 1.00 0.00 H new ATOM 0 HB2 LEU A 527 -7.741 -5.521 -3.530 1.00 0.00 H new ATOM 0 HB3 LEU A 527 -6.751 -6.230 -4.790 1.00 0.00 H new ATOM 0 HG LEU A 527 -9.279 -4.605 -5.199 1.00 0.00 H new ATOM 0 HD11 LEU A 527 -7.752 -2.964 -6.224 1.00 0.00 H new ATOM 0 HD12 LEU A 527 -7.352 -3.263 -4.516 1.00 0.00 H new ATOM 0 HD13 LEU A 527 -6.367 -3.999 -5.802 1.00 0.00 H new ATOM 0 HD21 LEU A 527 -8.744 -4.739 -7.603 1.00 0.00 H new ATOM 0 HD22 LEU A 527 -7.397 -5.843 -7.235 1.00 0.00 H new ATOM 0 HD23 LEU A 527 -9.073 -6.344 -6.908 1.00 0.00 H new ATOM 403 N THR A 528 -8.788 -8.933 -2.723 1.00 0.00 N ATOM 404 CA THR A 528 -8.297 -9.991 -1.863 1.00 0.00 C ATOM 405 C THR A 528 -7.536 -11.016 -2.682 1.00 0.00 C ATOM 406 O THR A 528 -6.407 -11.373 -2.346 1.00 0.00 O ATOM 407 CB THR A 528 -9.451 -10.696 -1.131 1.00 0.00 C ATOM 408 OG1 THR A 528 -10.240 -9.735 -0.416 1.00 0.00 O ATOM 409 CG2 THR A 528 -8.922 -11.758 -0.174 1.00 0.00 C ATOM 0 H THR A 528 -9.796 -8.781 -2.677 1.00 0.00 H new ATOM 0 HA THR A 528 -7.637 -9.537 -1.124 1.00 0.00 H new ATOM 0 HB THR A 528 -10.077 -11.190 -1.874 1.00 0.00 H new ATOM 0 HG1 THR A 528 -10.973 -10.192 0.046 1.00 0.00 H new ATOM 0 HG21 THR A 528 -9.758 -12.242 0.331 1.00 0.00 H new ATOM 0 HG22 THR A 528 -8.356 -12.503 -0.734 1.00 0.00 H new ATOM 0 HG23 THR A 528 -8.273 -11.290 0.566 1.00 0.00 H new ATOM 417 N GLU A 529 -8.145 -11.451 -3.781 1.00 0.00 N ATOM 418 CA GLU A 529 -7.548 -12.464 -4.636 1.00 0.00 C ATOM 419 C GLU A 529 -6.236 -11.960 -5.231 1.00 0.00 C ATOM 420 O GLU A 529 -5.361 -12.751 -5.569 1.00 0.00 O ATOM 421 CB GLU A 529 -8.510 -12.865 -5.757 1.00 0.00 C ATOM 422 CG GLU A 529 -8.023 -14.053 -6.567 1.00 0.00 C ATOM 423 CD GLU A 529 -8.893 -14.330 -7.770 1.00 0.00 C ATOM 424 OE1 GLU A 529 -9.956 -14.972 -7.610 1.00 0.00 O ATOM 425 OE2 GLU A 529 -8.517 -13.916 -8.879 1.00 0.00 O1- ATOM 0 H GLU A 529 -9.054 -11.115 -4.099 1.00 0.00 H new ATOM 0 HA GLU A 529 -7.342 -13.342 -4.023 1.00 0.00 H new ATOM 0 HB2 GLU A 529 -9.482 -13.102 -5.325 1.00 0.00 H new ATOM 0 HB3 GLU A 529 -8.656 -12.015 -6.423 1.00 0.00 H new ATOM 0 HG2 GLU A 529 -7.001 -13.869 -6.897 1.00 0.00 H new ATOM 0 HG3 GLU A 529 -7.998 -14.937 -5.930 1.00 0.00 H new ATOM 432 N THR A 530 -6.097 -10.643 -5.340 1.00 0.00 N ATOM 433 CA THR A 530 -4.880 -10.053 -5.864 1.00 0.00 C ATOM 434 C THR A 530 -3.684 -10.417 -4.985 1.00 0.00 C ATOM 435 O THR A 530 -2.668 -10.900 -5.487 1.00 0.00 O ATOM 436 CB THR A 530 -5.013 -8.525 -5.986 1.00 0.00 C ATOM 437 OG1 THR A 530 -6.176 -8.213 -6.766 1.00 0.00 O ATOM 438 CG2 THR A 530 -3.779 -7.917 -6.636 1.00 0.00 C ATOM 0 H THR A 530 -6.813 -9.968 -5.072 1.00 0.00 H new ATOM 0 HA THR A 530 -4.714 -10.458 -6.862 1.00 0.00 H new ATOM 0 HB THR A 530 -5.110 -8.103 -4.986 1.00 0.00 H new ATOM 0 HG1 THR A 530 -5.936 -7.574 -7.469 1.00 0.00 H new ATOM 0 HG21 THR A 530 -3.901 -6.836 -6.709 1.00 0.00 H new ATOM 0 HG22 THR A 530 -2.901 -8.143 -6.031 1.00 0.00 H new ATOM 0 HG23 THR A 530 -3.650 -8.336 -7.634 1.00 0.00 H new ATOM 446 N LEU A 531 -3.800 -10.212 -3.672 1.00 0.00 N ATOM 447 CA LEU A 531 -2.728 -10.607 -2.773 1.00 0.00 C ATOM 448 C LEU A 531 -2.842 -12.075 -2.382 1.00 0.00 C ATOM 449 O LEU A 531 -1.872 -12.678 -1.953 1.00 0.00 O ATOM 450 CB LEU A 531 -2.697 -9.735 -1.517 1.00 0.00 C ATOM 451 CG LEU A 531 -2.292 -8.273 -1.725 1.00 0.00 C ATOM 452 CD1 LEU A 531 -1.544 -8.067 -3.034 1.00 0.00 C ATOM 453 CD2 LEU A 531 -3.490 -7.353 -1.615 1.00 0.00 C ATOM 0 H LEU A 531 -4.608 -9.784 -3.220 1.00 0.00 H new ATOM 0 HA LEU A 531 -1.793 -10.463 -3.315 1.00 0.00 H new ATOM 0 HB2 LEU A 531 -3.686 -9.756 -1.060 1.00 0.00 H new ATOM 0 HB3 LEU A 531 -2.007 -10.185 -0.803 1.00 0.00 H new ATOM 0 HG LEU A 531 -1.599 -8.013 -0.925 1.00 0.00 H new ATOM 0 HD11 LEU A 531 -1.277 -7.015 -3.139 1.00 0.00 H new ATOM 0 HD12 LEU A 531 -0.638 -8.673 -3.035 1.00 0.00 H new ATOM 0 HD13 LEU A 531 -2.180 -8.365 -3.867 1.00 0.00 H new ATOM 0 HD21 LEU A 531 -3.172 -6.322 -1.767 1.00 0.00 H new ATOM 0 HD22 LEU A 531 -4.226 -7.621 -2.373 1.00 0.00 H new ATOM 0 HD23 LEU A 531 -3.936 -7.453 -0.625 1.00 0.00 H new ATOM 465 N ASN A 532 -4.032 -12.644 -2.502 1.00 0.00 N ATOM 466 CA ASN A 532 -4.224 -14.064 -2.240 1.00 0.00 C ATOM 467 C ASN A 532 -3.563 -14.909 -3.322 1.00 0.00 C ATOM 468 O ASN A 532 -3.254 -16.078 -3.103 1.00 0.00 O ATOM 469 CB ASN A 532 -5.717 -14.392 -2.137 1.00 0.00 C ATOM 470 CG ASN A 532 -6.288 -14.127 -0.756 1.00 0.00 C ATOM 471 OD1 ASN A 532 -5.772 -13.114 -0.085 1.00 0.00 O flip ATOM 472 ND2 ASN A 532 -7.211 -14.810 -0.310 1.00 0.00 N flip ATOM 0 H ASN A 532 -4.878 -12.146 -2.779 1.00 0.00 H new ATOM 0 HA ASN A 532 -3.751 -14.303 -1.288 1.00 0.00 H new ATOM 0 HB2 ASN A 532 -6.265 -13.800 -2.870 1.00 0.00 H new ATOM 0 HB3 ASN A 532 -5.872 -15.440 -2.393 1.00 0.00 H new ATOM 0 HD21 ASN A 532 -7.583 -15.585 -0.859 1.00 0.00 H new ATOM 0 HD22 ASN A 532 -7.603 -14.600 0.608 1.00 0.00 H new ATOM 479 N ARG A 533 -3.351 -14.313 -4.488 1.00 0.00 N ATOM 480 CA ARG A 533 -2.649 -14.986 -5.564 1.00 0.00 C ATOM 481 C ARG A 533 -1.145 -14.807 -5.376 1.00 0.00 C ATOM 482 O ARG A 533 -0.658 -13.687 -5.223 1.00 0.00 O ATOM 483 CB ARG A 533 -3.099 -14.432 -6.922 1.00 0.00 C ATOM 484 CG ARG A 533 -2.640 -15.266 -8.106 1.00 0.00 C ATOM 485 CD ARG A 533 -3.136 -14.692 -9.426 1.00 0.00 C ATOM 486 NE ARG A 533 -4.601 -14.629 -9.504 1.00 0.00 N ATOM 487 CZ ARG A 533 -5.280 -14.583 -10.651 1.00 0.00 C ATOM 488 NH1 ARG A 533 -4.640 -14.666 -11.810 1.00 0.00 N1+ ATOM 489 NH2 ARG A 533 -6.603 -14.467 -10.647 1.00 0.00 N ATOM 0 H ARG A 533 -3.656 -13.365 -4.709 1.00 0.00 H new ATOM 0 HA ARG A 533 -2.884 -16.050 -5.541 1.00 0.00 H new ATOM 0 HB2 ARG A 533 -4.187 -14.367 -6.935 1.00 0.00 H new ATOM 0 HB3 ARG A 533 -2.718 -13.417 -7.035 1.00 0.00 H new ATOM 0 HG2 ARG A 533 -1.551 -15.314 -8.117 1.00 0.00 H new ATOM 0 HG3 ARG A 533 -3.003 -16.288 -7.994 1.00 0.00 H new ATOM 0 HD2 ARG A 533 -2.726 -13.691 -9.558 1.00 0.00 H new ATOM 0 HD3 ARG A 533 -2.759 -15.302 -10.247 1.00 0.00 H new ATOM 0 HE ARG A 533 -5.129 -14.620 -8.632 1.00 0.00 H new ATOM 0 HH11 ARG A 533 -3.625 -14.765 -11.826 1.00 0.00 H new ATOM 0 HH12 ARG A 533 -5.163 -14.630 -12.685 1.00 0.00 H new ATOM 0 HH21 ARG A 533 -7.107 -14.412 -9.762 1.00 0.00 H new ATOM 0 HH22 ARG A 533 -7.115 -14.433 -11.529 1.00 0.00 H new ATOM 503 N GLU A 534 -0.422 -15.917 -5.365 1.00 0.00 N ATOM 504 CA GLU A 534 1.020 -15.897 -5.144 1.00 0.00 C ATOM 505 C GLU A 534 1.743 -15.302 -6.353 1.00 0.00 C ATOM 506 O GLU A 534 1.316 -15.483 -7.497 1.00 0.00 O ATOM 507 CB GLU A 534 1.509 -17.323 -4.856 1.00 0.00 C ATOM 508 CG GLU A 534 3.001 -17.449 -4.572 1.00 0.00 C ATOM 509 CD GLU A 534 3.480 -16.527 -3.466 1.00 0.00 C ATOM 510 OE1 GLU A 534 3.121 -16.757 -2.291 1.00 0.00 O ATOM 511 OE2 GLU A 534 4.225 -15.574 -3.777 1.00 0.00 O1- ATOM 0 H GLU A 534 -0.811 -16.849 -5.507 1.00 0.00 H new ATOM 0 HA GLU A 534 1.244 -15.266 -4.284 1.00 0.00 H new ATOM 0 HB2 GLU A 534 0.958 -17.714 -4.001 1.00 0.00 H new ATOM 0 HB3 GLU A 534 1.263 -17.954 -5.710 1.00 0.00 H new ATOM 0 HG2 GLU A 534 3.226 -18.480 -4.299 1.00 0.00 H new ATOM 0 HG3 GLU A 534 3.557 -17.231 -5.484 1.00 0.00 H new ATOM 518 N GLY A 535 2.837 -14.597 -6.094 1.00 0.00 N ATOM 519 CA GLY A 535 3.564 -13.927 -7.153 1.00 0.00 C ATOM 520 C GLY A 535 4.564 -12.930 -6.606 1.00 0.00 C ATOM 521 O GLY A 535 5.327 -13.248 -5.696 1.00 0.00 O ATOM 0 H GLY A 535 3.235 -14.477 -5.163 1.00 0.00 H new ATOM 0 HA2 GLY A 535 4.084 -14.667 -7.761 1.00 0.00 H new ATOM 0 HA3 GLY A 535 2.860 -13.414 -7.808 1.00 0.00 H new ATOM 525 N VAL A 536 4.562 -11.722 -7.156 1.00 0.00 N ATOM 526 CA VAL A 536 5.463 -10.669 -6.694 1.00 0.00 C ATOM 527 C VAL A 536 4.724 -9.332 -6.601 1.00 0.00 C ATOM 528 O VAL A 536 4.077 -8.906 -7.555 1.00 0.00 O ATOM 529 CB VAL A 536 6.697 -10.519 -7.623 1.00 0.00 C ATOM 530 CG1 VAL A 536 7.626 -11.717 -7.485 1.00 0.00 C ATOM 531 CG2 VAL A 536 6.274 -10.350 -9.075 1.00 0.00 C ATOM 0 H VAL A 536 3.948 -11.446 -7.922 1.00 0.00 H new ATOM 0 HA VAL A 536 5.816 -10.958 -5.704 1.00 0.00 H new ATOM 0 HB VAL A 536 7.234 -9.622 -7.315 1.00 0.00 H new ATOM 0 HG11 VAL A 536 8.484 -11.590 -8.145 1.00 0.00 H new ATOM 0 HG12 VAL A 536 7.970 -11.794 -6.454 1.00 0.00 H new ATOM 0 HG13 VAL A 536 7.090 -12.626 -7.757 1.00 0.00 H new ATOM 0 HG21 VAL A 536 7.159 -10.247 -9.702 1.00 0.00 H new ATOM 0 HG22 VAL A 536 5.704 -11.223 -9.392 1.00 0.00 H new ATOM 0 HG23 VAL A 536 5.655 -9.458 -9.172 1.00 0.00 H new ATOM 541 N TYR A 537 4.811 -8.684 -5.440 1.00 0.00 N ATOM 542 CA TYR A 537 4.159 -7.394 -5.216 1.00 0.00 C ATOM 543 C TYR A 537 4.950 -6.559 -4.215 1.00 0.00 C ATOM 544 O TYR A 537 5.678 -7.095 -3.377 1.00 0.00 O ATOM 545 CB TYR A 537 2.739 -7.584 -4.658 1.00 0.00 C ATOM 546 CG TYR A 537 1.811 -8.418 -5.512 1.00 0.00 C ATOM 547 CD1 TYR A 537 1.162 -7.867 -6.608 1.00 0.00 C ATOM 548 CD2 TYR A 537 1.574 -9.755 -5.210 1.00 0.00 C ATOM 549 CE1 TYR A 537 0.304 -8.625 -7.381 1.00 0.00 C ATOM 550 CE2 TYR A 537 0.716 -10.517 -5.977 1.00 0.00 C ATOM 551 CZ TYR A 537 0.085 -9.948 -7.061 1.00 0.00 C ATOM 552 OH TYR A 537 -0.774 -10.706 -7.821 1.00 0.00 O ATOM 0 H TYR A 537 5.330 -9.034 -4.635 1.00 0.00 H new ATOM 0 HA TYR A 537 4.113 -6.885 -6.179 1.00 0.00 H new ATOM 0 HB2 TYR A 537 2.813 -8.047 -3.674 1.00 0.00 H new ATOM 0 HB3 TYR A 537 2.289 -6.602 -4.515 1.00 0.00 H new ATOM 0 HD1 TYR A 537 1.330 -6.830 -6.860 1.00 0.00 H new ATOM 0 HD2 TYR A 537 2.069 -10.204 -4.362 1.00 0.00 H new ATOM 0 HE1 TYR A 537 -0.193 -8.183 -8.232 1.00 0.00 H new ATOM 0 HE2 TYR A 537 0.540 -11.553 -5.729 1.00 0.00 H new ATOM 0 HH TYR A 537 -1.559 -10.946 -7.286 1.00 0.00 H new ATOM 562 N THR A 538 4.799 -5.252 -4.306 1.00 0.00 N ATOM 563 CA THR A 538 5.304 -4.345 -3.288 1.00 0.00 C ATOM 564 C THR A 538 4.190 -3.406 -2.863 1.00 0.00 C ATOM 565 O THR A 538 3.812 -2.501 -3.604 1.00 0.00 O ATOM 566 CB THR A 538 6.513 -3.535 -3.789 1.00 0.00 C ATOM 567 OG1 THR A 538 7.577 -4.426 -4.123 1.00 0.00 O ATOM 568 CG2 THR A 538 6.994 -2.541 -2.741 1.00 0.00 C ATOM 0 H THR A 538 4.326 -4.789 -5.082 1.00 0.00 H new ATOM 0 HA THR A 538 5.641 -4.939 -2.438 1.00 0.00 H new ATOM 0 HB THR A 538 6.202 -2.973 -4.670 1.00 0.00 H new ATOM 0 HG1 THR A 538 7.722 -4.414 -5.092 1.00 0.00 H new ATOM 0 HG21 THR A 538 7.849 -1.987 -3.130 1.00 0.00 H new ATOM 0 HG22 THR A 538 6.189 -1.846 -2.502 1.00 0.00 H new ATOM 0 HG23 THR A 538 7.289 -3.077 -1.839 1.00 0.00 H new ATOM 576 N VAL A 539 3.638 -3.644 -1.691 1.00 0.00 N ATOM 577 CA VAL A 539 2.494 -2.895 -1.240 1.00 0.00 C ATOM 578 C VAL A 539 2.878 -1.922 -0.140 1.00 0.00 C ATOM 579 O VAL A 539 3.283 -2.332 0.952 1.00 0.00 O ATOM 580 CB VAL A 539 1.392 -3.841 -0.726 1.00 0.00 C ATOM 581 CG1 VAL A 539 0.215 -3.058 -0.179 1.00 0.00 C ATOM 582 CG2 VAL A 539 0.943 -4.780 -1.832 1.00 0.00 C ATOM 0 H VAL A 539 3.967 -4.353 -1.036 1.00 0.00 H new ATOM 0 HA VAL A 539 2.114 -2.331 -2.092 1.00 0.00 H new ATOM 0 HB VAL A 539 1.806 -4.436 0.088 1.00 0.00 H new ATOM 0 HG11 VAL A 539 -0.548 -3.750 0.177 1.00 0.00 H new ATOM 0 HG12 VAL A 539 0.548 -2.429 0.647 1.00 0.00 H new ATOM 0 HG13 VAL A 539 -0.203 -2.431 -0.967 1.00 0.00 H new ATOM 0 HG21 VAL A 539 0.164 -5.442 -1.453 1.00 0.00 H new ATOM 0 HG22 VAL A 539 0.551 -4.198 -2.666 1.00 0.00 H new ATOM 0 HG23 VAL A 539 1.791 -5.374 -2.171 1.00 0.00 H new ATOM 592 N PHE A 540 2.777 -0.638 -0.428 1.00 0.00 N ATOM 593 CA PHE A 540 2.939 0.356 0.600 1.00 0.00 C ATOM 594 C PHE A 540 1.618 0.516 1.332 1.00 0.00 C ATOM 595 O PHE A 540 0.639 0.999 0.772 1.00 0.00 O ATOM 596 CB PHE A 540 3.434 1.660 -0.007 1.00 0.00 C ATOM 597 CG PHE A 540 4.894 1.608 -0.348 1.00 0.00 C ATOM 598 CD1 PHE A 540 5.838 1.922 0.606 1.00 0.00 C ATOM 599 CD2 PHE A 540 5.317 1.242 -1.613 1.00 0.00 C ATOM 600 CE1 PHE A 540 7.185 1.878 0.309 1.00 0.00 C ATOM 601 CE2 PHE A 540 6.665 1.196 -1.919 1.00 0.00 C ATOM 602 CZ PHE A 540 7.599 1.515 -0.956 1.00 0.00 C ATOM 0 H PHE A 540 2.585 -0.267 -1.359 1.00 0.00 H new ATOM 0 HA PHE A 540 3.692 0.044 1.324 1.00 0.00 H new ATOM 0 HB2 PHE A 540 2.860 1.881 -0.907 1.00 0.00 H new ATOM 0 HB3 PHE A 540 3.255 2.476 0.693 1.00 0.00 H new ATOM 0 HD1 PHE A 540 5.520 2.206 1.598 1.00 0.00 H new ATOM 0 HD2 PHE A 540 4.588 0.990 -2.369 1.00 0.00 H new ATOM 0 HE1 PHE A 540 7.914 2.127 1.066 1.00 0.00 H new ATOM 0 HE2 PHE A 540 6.985 0.911 -2.910 1.00 0.00 H new ATOM 0 HZ PHE A 540 8.652 1.481 -1.192 1.00 0.00 H new ATOM 612 N ALA A 541 1.599 0.085 2.579 1.00 0.00 N ATOM 613 CA ALA A 541 0.355 -0.113 3.302 1.00 0.00 C ATOM 614 C ALA A 541 0.106 0.989 4.316 1.00 0.00 C ATOM 615 O ALA A 541 0.909 1.201 5.226 1.00 0.00 O ATOM 616 CB ALA A 541 0.370 -1.464 3.989 1.00 0.00 C ATOM 0 H ALA A 541 2.437 -0.136 3.117 1.00 0.00 H new ATOM 0 HA ALA A 541 -0.460 -0.079 2.579 1.00 0.00 H new ATOM 0 HB1 ALA A 541 -0.565 -1.608 4.530 1.00 0.00 H new ATOM 0 HB2 ALA A 541 0.482 -2.250 3.243 1.00 0.00 H new ATOM 0 HB3 ALA A 541 1.204 -1.507 4.689 1.00 0.00 H new ATOM 622 N PRO A 542 -1.008 1.713 4.153 1.00 0.00 N ATOM 623 CA PRO A 542 -1.412 2.776 5.063 1.00 0.00 C ATOM 624 C PRO A 542 -2.036 2.227 6.343 1.00 0.00 C ATOM 625 O PRO A 542 -2.774 1.238 6.314 1.00 0.00 O ATOM 626 CB PRO A 542 -2.456 3.572 4.262 1.00 0.00 C ATOM 627 CG PRO A 542 -2.511 2.945 2.905 1.00 0.00 C ATOM 628 CD PRO A 542 -1.967 1.557 3.059 1.00 0.00 C ATOM 0 HA PRO A 542 -0.561 3.376 5.385 1.00 0.00 H new ATOM 0 HB2 PRO A 542 -3.431 3.534 4.748 1.00 0.00 H new ATOM 0 HB3 PRO A 542 -2.175 4.623 4.194 1.00 0.00 H new ATOM 0 HG2 PRO A 542 -3.534 2.922 2.529 1.00 0.00 H new ATOM 0 HG3 PRO A 542 -1.921 3.516 2.189 1.00 0.00 H new ATOM 0 HD2 PRO A 542 -2.750 0.839 3.305 1.00 0.00 H new ATOM 0 HD3 PRO A 542 -1.487 1.205 2.146 1.00 0.00 H new ATOM 636 N THR A 543 -1.735 2.865 7.462 1.00 0.00 N ATOM 637 CA THR A 543 -2.290 2.462 8.745 1.00 0.00 C ATOM 638 C THR A 543 -3.680 3.059 8.955 1.00 0.00 C ATOM 639 O THR A 543 -4.194 3.770 8.086 1.00 0.00 O ATOM 640 CB THR A 543 -1.359 2.886 9.893 1.00 0.00 C ATOM 641 OG1 THR A 543 -1.198 4.312 9.903 1.00 0.00 O ATOM 642 CG2 THR A 543 0.001 2.233 9.733 1.00 0.00 C ATOM 0 H THR A 543 -1.107 3.667 7.508 1.00 0.00 H new ATOM 0 HA THR A 543 -2.378 1.376 8.742 1.00 0.00 H new ATOM 0 HB THR A 543 -1.808 2.566 10.833 1.00 0.00 H new ATOM 0 HG1 THR A 543 -0.476 4.555 10.519 1.00 0.00 H new ATOM 0 HG21 THR A 543 0.651 2.541 10.552 1.00 0.00 H new ATOM 0 HG22 THR A 543 -0.112 1.149 9.747 1.00 0.00 H new ATOM 0 HG23 THR A 543 0.442 2.539 8.785 1.00 0.00 H new ATOM 650 N ASN A 544 -4.285 2.773 10.108 1.00 0.00 N ATOM 651 CA ASN A 544 -5.622 3.274 10.425 1.00 0.00 C ATOM 652 C ASN A 544 -5.639 4.795 10.383 1.00 0.00 C ATOM 653 O ASN A 544 -6.582 5.409 9.883 1.00 0.00 O ATOM 654 CB ASN A 544 -6.073 2.811 11.816 1.00 0.00 C ATOM 655 CG ASN A 544 -6.168 1.303 11.964 1.00 0.00 C ATOM 656 OD1 ASN A 544 -5.959 0.764 13.051 1.00 0.00 O ATOM 657 ND2 ASN A 544 -6.504 0.606 10.888 1.00 0.00 N ATOM 0 H ASN A 544 -3.869 2.196 10.839 1.00 0.00 H new ATOM 0 HA ASN A 544 -6.308 2.874 9.679 1.00 0.00 H new ATOM 0 HB2 ASN A 544 -5.375 3.196 12.560 1.00 0.00 H new ATOM 0 HB3 ASN A 544 -7.046 3.249 12.036 1.00 0.00 H new ATOM 0 HD21 ASN A 544 -6.596 -0.408 10.946 1.00 0.00 H new ATOM 0 HD22 ASN A 544 -6.670 1.084 10.002 1.00 0.00 H new ATOM 664 N GLU A 545 -4.571 5.384 10.903 1.00 0.00 N ATOM 665 CA GLU A 545 -4.420 6.832 10.978 1.00 0.00 C ATOM 666 C GLU A 545 -4.391 7.456 9.585 1.00 0.00 C ATOM 667 O GLU A 545 -4.709 8.632 9.413 1.00 0.00 O ATOM 668 CB GLU A 545 -3.131 7.213 11.729 1.00 0.00 C ATOM 669 CG GLU A 545 -2.879 6.424 13.011 1.00 0.00 C ATOM 670 CD GLU A 545 -2.281 5.053 12.745 1.00 0.00 C ATOM 671 OE1 GLU A 545 -1.042 4.957 12.631 1.00 0.00 O1- ATOM 672 OE2 GLU A 545 -3.046 4.078 12.626 1.00 0.00 O ATOM 0 H GLU A 545 -3.780 4.868 11.287 1.00 0.00 H new ATOM 0 HA GLU A 545 -5.281 7.218 11.523 1.00 0.00 H new ATOM 0 HB2 GLU A 545 -2.282 7.072 11.060 1.00 0.00 H new ATOM 0 HB3 GLU A 545 -3.171 8.274 11.974 1.00 0.00 H new ATOM 0 HG2 GLU A 545 -2.207 6.991 13.656 1.00 0.00 H new ATOM 0 HG3 GLU A 545 -3.818 6.308 13.552 1.00 0.00 H new ATOM 679 N ALA A 546 -4.025 6.665 8.589 1.00 0.00 N ATOM 680 CA ALA A 546 -3.858 7.176 7.237 1.00 0.00 C ATOM 681 C ALA A 546 -5.174 7.363 6.544 1.00 0.00 C ATOM 682 O ALA A 546 -5.340 8.262 5.719 1.00 0.00 O ATOM 683 CB ALA A 546 -2.971 6.251 6.430 1.00 0.00 C ATOM 0 H ALA A 546 -3.838 5.667 8.691 1.00 0.00 H new ATOM 0 HA ALA A 546 -3.383 8.154 7.314 1.00 0.00 H new ATOM 0 HB1 ALA A 546 -2.855 6.647 5.421 1.00 0.00 H new ATOM 0 HB2 ALA A 546 -1.993 6.178 6.906 1.00 0.00 H new ATOM 0 HB3 ALA A 546 -3.425 5.261 6.382 1.00 0.00 H new ATOM 689 N PHE A 547 -6.109 6.533 6.891 1.00 0.00 N ATOM 690 CA PHE A 547 -7.450 6.658 6.387 1.00 0.00 C ATOM 691 C PHE A 547 -8.077 7.932 6.939 1.00 0.00 C ATOM 692 O PHE A 547 -9.123 8.382 6.474 1.00 0.00 O ATOM 693 CB PHE A 547 -8.237 5.397 6.719 1.00 0.00 C ATOM 694 CG PHE A 547 -7.521 4.169 6.225 1.00 0.00 C ATOM 695 CD1 PHE A 547 -7.266 4.003 4.872 1.00 0.00 C ATOM 696 CD2 PHE A 547 -7.093 3.189 7.109 1.00 0.00 C ATOM 697 CE1 PHE A 547 -6.598 2.882 4.410 1.00 0.00 C ATOM 698 CE2 PHE A 547 -6.426 2.067 6.652 1.00 0.00 C ATOM 699 CZ PHE A 547 -6.179 1.915 5.301 1.00 0.00 C ATOM 0 H PHE A 547 -5.969 5.750 7.530 1.00 0.00 H new ATOM 0 HA PHE A 547 -7.455 6.750 5.301 1.00 0.00 H new ATOM 0 HB2 PHE A 547 -8.383 5.328 7.797 1.00 0.00 H new ATOM 0 HB3 PHE A 547 -9.227 5.452 6.266 1.00 0.00 H new ATOM 0 HD1 PHE A 547 -7.592 4.757 4.171 1.00 0.00 H new ATOM 0 HD2 PHE A 547 -7.283 3.304 8.166 1.00 0.00 H new ATOM 0 HE1 PHE A 547 -6.405 2.764 3.354 1.00 0.00 H new ATOM 0 HE2 PHE A 547 -6.099 1.311 7.350 1.00 0.00 H new ATOM 0 HZ PHE A 547 -5.658 1.040 4.942 1.00 0.00 H new ATOM 709 N ARG A 548 -7.409 8.512 7.939 1.00 0.00 N ATOM 710 CA ARG A 548 -7.878 9.748 8.554 1.00 0.00 C ATOM 711 C ARG A 548 -7.251 10.949 7.843 1.00 0.00 C ATOM 712 O ARG A 548 -7.625 12.098 8.074 1.00 0.00 O ATOM 713 CB ARG A 548 -7.530 9.770 10.051 1.00 0.00 C ATOM 714 CG ARG A 548 -7.985 11.032 10.776 1.00 0.00 C ATOM 715 CD ARG A 548 -7.537 11.046 12.227 1.00 0.00 C ATOM 716 NE ARG A 548 -7.839 12.326 12.872 1.00 0.00 N ATOM 717 CZ ARG A 548 -7.239 12.765 13.976 1.00 0.00 C ATOM 718 NH1 ARG A 548 -6.284 12.042 14.548 1.00 0.00 N1+ ATOM 719 NH2 ARG A 548 -7.588 13.933 14.500 1.00 0.00 N ATOM 0 H ARG A 548 -6.545 8.144 8.336 1.00 0.00 H new ATOM 0 HA ARG A 548 -8.962 9.803 8.455 1.00 0.00 H new ATOM 0 HB2 ARG A 548 -7.984 8.904 10.532 1.00 0.00 H new ATOM 0 HB3 ARG A 548 -6.451 9.668 10.164 1.00 0.00 H new ATOM 0 HG2 ARG A 548 -7.586 11.908 10.265 1.00 0.00 H new ATOM 0 HG3 ARG A 548 -9.072 11.104 10.731 1.00 0.00 H new ATOM 0 HD2 ARG A 548 -8.031 10.239 12.769 1.00 0.00 H new ATOM 0 HD3 ARG A 548 -6.465 10.855 12.279 1.00 0.00 H new ATOM 0 HE ARG A 548 -8.554 12.918 12.449 1.00 0.00 H new ATOM 0 HH11 ARG A 548 -6.009 11.148 14.142 1.00 0.00 H new ATOM 0 HH12 ARG A 548 -5.826 12.380 15.394 1.00 0.00 H new ATOM 0 HH21 ARG A 548 -8.316 14.494 14.057 1.00 0.00 H new ATOM 0 HH22 ARG A 548 -7.129 14.270 15.346 1.00 0.00 H new ATOM 733 N ALA A 549 -6.295 10.671 6.963 1.00 0.00 N ATOM 734 CA ALA A 549 -5.545 11.722 6.294 1.00 0.00 C ATOM 735 C ALA A 549 -6.202 12.122 4.976 1.00 0.00 C ATOM 736 O ALA A 549 -5.809 13.109 4.349 1.00 0.00 O ATOM 737 CB ALA A 549 -4.108 11.274 6.063 1.00 0.00 C ATOM 0 H ALA A 549 -6.023 9.725 6.698 1.00 0.00 H new ATOM 0 HA ALA A 549 -5.542 12.600 6.940 1.00 0.00 H new ATOM 0 HB1 ALA A 549 -3.555 12.068 5.561 1.00 0.00 H new ATOM 0 HB2 ALA A 549 -3.637 11.053 7.021 1.00 0.00 H new ATOM 0 HB3 ALA A 549 -4.101 10.379 5.441 1.00 0.00 H new ATOM 743 N LEU A 550 -7.208 11.366 4.565 1.00 0.00 N ATOM 744 CA LEU A 550 -7.892 11.631 3.310 1.00 0.00 C ATOM 745 C LEU A 550 -9.203 12.367 3.537 1.00 0.00 C ATOM 746 O LEU A 550 -9.907 12.112 4.515 1.00 0.00 O ATOM 747 CB LEU A 550 -8.153 10.328 2.561 1.00 0.00 C ATOM 748 CG LEU A 550 -6.909 9.669 1.963 1.00 0.00 C ATOM 749 CD1 LEU A 550 -7.291 8.435 1.168 1.00 0.00 C ATOM 750 CD2 LEU A 550 -6.152 10.650 1.080 1.00 0.00 C ATOM 0 H LEU A 550 -7.569 10.564 5.082 1.00 0.00 H new ATOM 0 HA LEU A 550 -7.243 12.268 2.709 1.00 0.00 H new ATOM 0 HB2 LEU A 550 -8.628 9.623 3.243 1.00 0.00 H new ATOM 0 HB3 LEU A 550 -8.864 10.523 1.758 1.00 0.00 H new ATOM 0 HG LEU A 550 -6.257 9.368 2.783 1.00 0.00 H new ATOM 0 HD11 LEU A 550 -6.393 7.979 0.750 1.00 0.00 H new ATOM 0 HD12 LEU A 550 -7.790 7.720 1.823 1.00 0.00 H new ATOM 0 HD13 LEU A 550 -7.965 8.717 0.359 1.00 0.00 H new ATOM 0 HD21 LEU A 550 -5.271 10.161 0.665 1.00 0.00 H new ATOM 0 HD22 LEU A 550 -6.799 10.983 0.268 1.00 0.00 H new ATOM 0 HD23 LEU A 550 -5.843 11.510 1.674 1.00 0.00 H new ATOM 762 N PRO A 551 -9.534 13.304 2.637 1.00 0.00 N ATOM 763 CA PRO A 551 -10.801 14.032 2.684 1.00 0.00 C ATOM 764 C PRO A 551 -12.000 13.091 2.530 1.00 0.00 C ATOM 765 O PRO A 551 -11.951 12.126 1.760 1.00 0.00 O ATOM 766 CB PRO A 551 -10.713 15.006 1.504 1.00 0.00 C ATOM 767 CG PRO A 551 -9.659 14.442 0.610 1.00 0.00 C ATOM 768 CD PRO A 551 -8.694 13.727 1.505 1.00 0.00 C ATOM 0 HA PRO A 551 -10.951 14.536 3.639 1.00 0.00 H new ATOM 0 HB2 PRO A 551 -11.669 15.084 0.986 1.00 0.00 H new ATOM 0 HB3 PRO A 551 -10.449 16.009 1.840 1.00 0.00 H new ATOM 0 HG2 PRO A 551 -10.092 13.759 -0.121 1.00 0.00 H new ATOM 0 HG3 PRO A 551 -9.159 15.232 0.050 1.00 0.00 H new ATOM 0 HD2 PRO A 551 -8.236 12.875 1.003 1.00 0.00 H new ATOM 0 HD3 PRO A 551 -7.884 14.381 1.827 1.00 0.00 H new ATOM 776 N PRO A 552 -13.090 13.365 3.266 1.00 0.00 N ATOM 777 CA PRO A 552 -14.273 12.498 3.304 1.00 0.00 C ATOM 778 C PRO A 552 -14.898 12.276 1.929 1.00 0.00 C ATOM 779 O PRO A 552 -15.304 11.162 1.602 1.00 0.00 O ATOM 780 CB PRO A 552 -15.252 13.249 4.217 1.00 0.00 C ATOM 781 CG PRO A 552 -14.735 14.647 4.287 1.00 0.00 C ATOM 782 CD PRO A 552 -13.249 14.545 4.128 1.00 0.00 C ATOM 0 HA PRO A 552 -14.016 11.500 3.658 1.00 0.00 H new ATOM 0 HB2 PRO A 552 -16.264 13.224 3.813 1.00 0.00 H new ATOM 0 HB3 PRO A 552 -15.293 12.795 5.207 1.00 0.00 H new ATOM 0 HG2 PRO A 552 -15.170 15.264 3.501 1.00 0.00 H new ATOM 0 HG3 PRO A 552 -14.995 15.112 5.238 1.00 0.00 H new ATOM 0 HD2 PRO A 552 -12.830 15.440 3.669 1.00 0.00 H new ATOM 0 HD3 PRO A 552 -12.748 14.415 5.087 1.00 0.00 H new ATOM 790 N ARG A 553 -14.954 13.332 1.126 1.00 0.00 N ATOM 791 CA ARG A 553 -15.595 13.271 -0.185 1.00 0.00 C ATOM 792 C ARG A 553 -14.935 12.228 -1.083 1.00 0.00 C ATOM 793 O ARG A 553 -15.613 11.371 -1.658 1.00 0.00 O ATOM 794 CB ARG A 553 -15.555 14.637 -0.861 1.00 0.00 C ATOM 795 CG ARG A 553 -16.462 15.661 -0.212 1.00 0.00 C ATOM 796 CD ARG A 553 -16.380 16.993 -0.927 1.00 0.00 C ATOM 797 NE ARG A 553 -17.426 17.912 -0.492 1.00 0.00 N ATOM 798 CZ ARG A 553 -17.416 19.220 -0.733 1.00 0.00 C ATOM 799 NH1 ARG A 553 -16.383 19.774 -1.355 1.00 0.00 N1+ ATOM 800 NH2 ARG A 553 -18.440 19.969 -0.351 1.00 0.00 N ATOM 0 H ARG A 553 -14.562 14.244 1.360 1.00 0.00 H new ATOM 0 HA ARG A 553 -16.633 12.977 -0.030 1.00 0.00 H new ATOM 0 HB2 ARG A 553 -14.531 15.010 -0.847 1.00 0.00 H new ATOM 0 HB3 ARG A 553 -15.839 14.524 -1.907 1.00 0.00 H new ATOM 0 HG2 ARG A 553 -17.491 15.300 -0.225 1.00 0.00 H new ATOM 0 HG3 ARG A 553 -16.182 15.788 0.834 1.00 0.00 H new ATOM 0 HD2 ARG A 553 -15.404 17.443 -0.745 1.00 0.00 H new ATOM 0 HD3 ARG A 553 -16.462 16.833 -2.002 1.00 0.00 H new ATOM 0 HE ARG A 553 -18.214 17.528 0.029 1.00 0.00 H new ATOM 0 HH11 ARG A 553 -15.595 19.197 -1.649 1.00 0.00 H new ATOM 0 HH12 ARG A 553 -16.377 20.777 -1.539 1.00 0.00 H new ATOM 0 HH21 ARG A 553 -19.234 19.542 0.127 1.00 0.00 H new ATOM 0 HH22 ARG A 553 -18.435 20.972 -0.535 1.00 0.00 H new ATOM 814 N GLU A 554 -13.621 12.308 -1.195 1.00 0.00 N ATOM 815 CA GLU A 554 -12.852 11.381 -2.018 1.00 0.00 C ATOM 816 C GLU A 554 -13.036 9.952 -1.524 1.00 0.00 C ATOM 817 O GLU A 554 -13.204 9.021 -2.312 1.00 0.00 O ATOM 818 CB GLU A 554 -11.366 11.755 -1.988 1.00 0.00 C ATOM 819 CG GLU A 554 -11.004 12.969 -2.839 1.00 0.00 C ATOM 820 CD GLU A 554 -11.890 14.179 -2.586 1.00 0.00 C ATOM 821 OE1 GLU A 554 -12.062 14.569 -1.415 1.00 0.00 O ATOM 822 OE2 GLU A 554 -12.412 14.746 -3.570 1.00 0.00 O1- ATOM 0 H GLU A 554 -13.056 13.013 -0.722 1.00 0.00 H new ATOM 0 HA GLU A 554 -13.215 11.447 -3.044 1.00 0.00 H new ATOM 0 HB2 GLU A 554 -11.074 11.950 -0.956 1.00 0.00 H new ATOM 0 HB3 GLU A 554 -10.782 10.900 -2.329 1.00 0.00 H new ATOM 0 HG2 GLU A 554 -9.967 13.242 -2.644 1.00 0.00 H new ATOM 0 HG3 GLU A 554 -11.069 12.696 -3.892 1.00 0.00 H new ATOM 829 N TRP A 555 -13.031 9.797 -0.213 1.00 0.00 N ATOM 830 CA TRP A 555 -13.132 8.486 0.398 1.00 0.00 C ATOM 831 C TRP A 555 -14.503 7.875 0.201 1.00 0.00 C ATOM 832 O TRP A 555 -14.624 6.699 -0.137 1.00 0.00 O ATOM 833 CB TRP A 555 -12.812 8.575 1.875 1.00 0.00 C ATOM 834 CG TRP A 555 -11.697 7.656 2.232 1.00 0.00 C ATOM 835 CD1 TRP A 555 -10.412 7.723 1.788 1.00 0.00 C ATOM 836 CD2 TRP A 555 -11.770 6.502 3.065 1.00 0.00 C ATOM 837 NE1 TRP A 555 -9.687 6.680 2.302 1.00 0.00 N ATOM 838 CE2 TRP A 555 -10.492 5.927 3.078 1.00 0.00 C ATOM 839 CE3 TRP A 555 -12.788 5.892 3.799 1.00 0.00 C ATOM 840 CZ2 TRP A 555 -10.191 4.792 3.789 1.00 0.00 C ATOM 841 CZ3 TRP A 555 -12.484 4.752 4.510 1.00 0.00 C ATOM 842 CH2 TRP A 555 -11.196 4.216 4.490 1.00 0.00 C ATOM 0 H TRP A 555 -12.958 10.567 0.451 1.00 0.00 H new ATOM 0 HA TRP A 555 -12.407 7.837 -0.094 1.00 0.00 H new ATOM 0 HB2 TRP A 555 -12.541 9.599 2.132 1.00 0.00 H new ATOM 0 HB3 TRP A 555 -13.697 8.324 2.459 1.00 0.00 H new ATOM 0 HD1 TRP A 555 -10.022 8.485 1.129 1.00 0.00 H new ATOM 0 HE1 TRP A 555 -8.698 6.502 2.126 1.00 0.00 H new ATOM 0 HE3 TRP A 555 -13.787 6.302 3.809 1.00 0.00 H new ATOM 0 HZ2 TRP A 555 -9.194 4.376 3.789 1.00 0.00 H new ATOM 0 HZ3 TRP A 555 -13.254 4.266 5.091 1.00 0.00 H new ATOM 0 HH2 TRP A 555 -10.995 3.315 5.050 1.00 0.00 H new ATOM 853 N SER A 556 -15.530 8.678 0.425 1.00 0.00 N ATOM 854 CA SER A 556 -16.906 8.228 0.226 1.00 0.00 C ATOM 855 C SER A 556 -17.136 7.767 -1.214 1.00 0.00 C ATOM 856 O SER A 556 -18.054 6.999 -1.494 1.00 0.00 O ATOM 857 CB SER A 556 -17.896 9.334 0.602 1.00 0.00 C ATOM 858 OG SER A 556 -17.606 10.550 -0.070 1.00 0.00 O ATOM 0 H SER A 556 -15.442 9.643 0.744 1.00 0.00 H new ATOM 0 HA SER A 556 -17.076 7.374 0.882 1.00 0.00 H new ATOM 0 HB2 SER A 556 -18.909 9.015 0.356 1.00 0.00 H new ATOM 0 HB3 SER A 556 -17.867 9.498 1.679 1.00 0.00 H new ATOM 0 HG SER A 556 -16.817 10.429 -0.639 1.00 0.00 H new ATOM 864 N ARG A 557 -16.290 8.240 -2.124 1.00 0.00 N ATOM 865 CA ARG A 557 -16.350 7.811 -3.509 1.00 0.00 C ATOM 866 C ARG A 557 -15.755 6.412 -3.645 1.00 0.00 C ATOM 867 O ARG A 557 -16.375 5.520 -4.223 1.00 0.00 O ATOM 868 CB ARG A 557 -15.585 8.782 -4.409 1.00 0.00 C ATOM 869 CG ARG A 557 -15.770 8.504 -5.892 1.00 0.00 C ATOM 870 CD ARG A 557 -17.169 8.880 -6.358 1.00 0.00 C ATOM 871 NE ARG A 557 -17.382 10.328 -6.296 1.00 0.00 N ATOM 872 CZ ARG A 557 -18.555 10.906 -6.028 1.00 0.00 C ATOM 873 NH1 ARG A 557 -19.617 10.167 -5.743 1.00 0.00 N1+ ATOM 874 NH2 ARG A 557 -18.662 12.228 -6.020 1.00 0.00 N ATOM 0 H ARG A 557 -15.557 8.920 -1.923 1.00 0.00 H new ATOM 0 HA ARG A 557 -17.395 7.795 -3.819 1.00 0.00 H new ATOM 0 HB2 ARG A 557 -15.912 9.799 -4.194 1.00 0.00 H new ATOM 0 HB3 ARG A 557 -14.523 8.731 -4.167 1.00 0.00 H new ATOM 0 HG2 ARG A 557 -15.031 9.066 -6.464 1.00 0.00 H new ATOM 0 HG3 ARG A 557 -15.591 7.447 -6.091 1.00 0.00 H new ATOM 0 HD2 ARG A 557 -17.319 8.532 -7.380 1.00 0.00 H new ATOM 0 HD3 ARG A 557 -17.909 8.375 -5.737 1.00 0.00 H new ATOM 0 HE ARG A 557 -16.581 10.935 -6.469 1.00 0.00 H new ATOM 0 HH11 ARG A 557 -19.541 9.150 -5.727 1.00 0.00 H new ATOM 0 HH12 ARG A 557 -20.510 10.615 -5.539 1.00 0.00 H new ATOM 0 HH21 ARG A 557 -17.846 12.807 -6.219 1.00 0.00 H new ATOM 0 HH22 ARG A 557 -19.560 12.666 -5.815 1.00 0.00 H new ATOM 888 N LEU A 558 -14.558 6.230 -3.087 1.00 0.00 N ATOM 889 CA LEU A 558 -13.835 4.963 -3.203 1.00 0.00 C ATOM 890 C LEU A 558 -14.633 3.827 -2.574 1.00 0.00 C ATOM 891 O LEU A 558 -15.043 2.897 -3.256 1.00 0.00 O ATOM 892 CB LEU A 558 -12.462 5.053 -2.526 1.00 0.00 C ATOM 893 CG LEU A 558 -11.700 6.358 -2.763 1.00 0.00 C ATOM 894 CD1 LEU A 558 -10.416 6.385 -1.948 1.00 0.00 C ATOM 895 CD2 LEU A 558 -11.398 6.545 -4.241 1.00 0.00 C ATOM 0 H LEU A 558 -14.068 6.945 -2.549 1.00 0.00 H new ATOM 0 HA LEU A 558 -13.696 4.759 -4.265 1.00 0.00 H new ATOM 0 HB2 LEU A 558 -12.595 4.919 -1.452 1.00 0.00 H new ATOM 0 HB3 LEU A 558 -11.847 4.224 -2.877 1.00 0.00 H new ATOM 0 HG LEU A 558 -12.332 7.184 -2.436 1.00 0.00 H new ATOM 0 HD11 LEU A 558 -9.889 7.321 -2.131 1.00 0.00 H new ATOM 0 HD12 LEU A 558 -10.656 6.305 -0.888 1.00 0.00 H new ATOM 0 HD13 LEU A 558 -9.782 5.548 -2.241 1.00 0.00 H new ATOM 0 HD21 LEU A 558 -10.856 7.479 -4.386 1.00 0.00 H new ATOM 0 HD22 LEU A 558 -10.789 5.713 -4.596 1.00 0.00 H new ATOM 0 HD23 LEU A 558 -12.332 6.577 -4.802 1.00 0.00 H new ATOM 907 N LEU A 559 -14.846 3.919 -1.267 1.00 0.00 N ATOM 908 CA LEU A 559 -15.604 2.944 -0.516 1.00 0.00 C ATOM 909 C LEU A 559 -17.039 2.784 -1.039 1.00 0.00 C ATOM 910 O LEU A 559 -17.737 1.840 -0.663 1.00 0.00 O ATOM 911 CB LEU A 559 -15.609 3.391 0.946 1.00 0.00 C ATOM 912 CG LEU A 559 -14.304 3.163 1.723 1.00 0.00 C ATOM 913 CD1 LEU A 559 -14.063 1.685 1.898 1.00 0.00 C ATOM 914 CD2 LEU A 559 -13.100 3.802 1.040 1.00 0.00 C ATOM 0 H LEU A 559 -14.489 4.686 -0.697 1.00 0.00 H new ATOM 0 HA LEU A 559 -15.135 1.966 -0.625 1.00 0.00 H new ATOM 0 HB2 LEU A 559 -15.848 4.454 0.980 1.00 0.00 H new ATOM 0 HB3 LEU A 559 -16.413 2.867 1.463 1.00 0.00 H new ATOM 0 HG LEU A 559 -14.420 3.642 2.695 1.00 0.00 H new ATOM 0 HD11 LEU A 559 -13.136 1.530 2.450 1.00 0.00 H new ATOM 0 HD12 LEU A 559 -14.892 1.244 2.451 1.00 0.00 H new ATOM 0 HD13 LEU A 559 -13.986 1.211 0.920 1.00 0.00 H new ATOM 0 HD21 LEU A 559 -12.203 3.611 1.630 1.00 0.00 H new ATOM 0 HD22 LEU A 559 -12.977 3.375 0.045 1.00 0.00 H new ATOM 0 HD23 LEU A 559 -13.257 4.877 0.956 1.00 0.00 H new ATOM 926 N GLY A 560 -17.468 3.697 -1.907 1.00 0.00 N ATOM 927 CA GLY A 560 -18.806 3.630 -2.462 1.00 0.00 C ATOM 928 C GLY A 560 -18.956 2.542 -3.513 1.00 0.00 C ATOM 929 O GLY A 560 -20.012 1.916 -3.612 1.00 0.00 O ATOM 0 H GLY A 560 -16.909 4.484 -2.236 1.00 0.00 H new ATOM 0 HA2 GLY A 560 -19.519 3.452 -1.657 1.00 0.00 H new ATOM 0 HA3 GLY A 560 -19.059 4.593 -2.905 1.00 0.00 H new ATOM 933 N ASP A 561 -17.911 2.311 -4.303 1.00 0.00 N ATOM 934 CA ASP A 561 -17.964 1.297 -5.351 1.00 0.00 C ATOM 935 C ASP A 561 -16.615 0.605 -5.515 1.00 0.00 C ATOM 936 O ASP A 561 -15.570 1.194 -5.253 1.00 0.00 O ATOM 937 CB ASP A 561 -18.385 1.928 -6.675 1.00 0.00 C ATOM 938 CG ASP A 561 -18.696 0.885 -7.728 1.00 0.00 C ATOM 939 OD1 ASP A 561 -19.864 0.441 -7.802 1.00 0.00 O ATOM 940 OD2 ASP A 561 -17.778 0.492 -8.473 1.00 0.00 O1- ATOM 0 H ASP A 561 -17.023 2.809 -4.238 1.00 0.00 H new ATOM 0 HA ASP A 561 -18.701 0.549 -5.057 1.00 0.00 H new ATOM 0 HB2 ASP A 561 -19.263 2.554 -6.515 1.00 0.00 H new ATOM 0 HB3 ASP A 561 -17.589 2.580 -7.035 1.00 0.00 H new ATOM 945 N ALA A 562 -16.647 -0.634 -5.985 1.00 0.00 N ATOM 946 CA ALA A 562 -15.450 -1.464 -6.065 1.00 0.00 C ATOM 947 C ALA A 562 -14.405 -0.871 -6.999 1.00 0.00 C ATOM 948 O ALA A 562 -13.234 -0.777 -6.636 1.00 0.00 O ATOM 949 CB ALA A 562 -15.812 -2.870 -6.510 1.00 0.00 C ATOM 0 H ALA A 562 -17.495 -1.091 -6.320 1.00 0.00 H new ATOM 0 HA ALA A 562 -15.014 -1.502 -5.067 1.00 0.00 H new ATOM 0 HB1 ALA A 562 -14.909 -3.478 -6.565 1.00 0.00 H new ATOM 0 HB2 ALA A 562 -16.504 -3.312 -5.793 1.00 0.00 H new ATOM 0 HB3 ALA A 562 -16.284 -2.831 -7.492 1.00 0.00 H new ATOM 955 N LYS A 563 -14.819 -0.450 -8.193 1.00 0.00 N ATOM 956 CA LYS A 563 -13.871 0.080 -9.163 1.00 0.00 C ATOM 957 C LYS A 563 -13.356 1.451 -8.730 1.00 0.00 C ATOM 958 O LYS A 563 -12.337 1.930 -9.230 1.00 0.00 O ATOM 959 CB LYS A 563 -14.471 0.121 -10.585 1.00 0.00 C ATOM 960 CG LYS A 563 -15.724 0.983 -10.764 1.00 0.00 C ATOM 961 CD LYS A 563 -15.406 2.468 -10.756 1.00 0.00 C ATOM 962 CE LYS A 563 -14.437 2.850 -11.865 1.00 0.00 C ATOM 963 NZ LYS A 563 -13.594 4.014 -11.480 1.00 0.00 N1+ ATOM 0 H LYS A 563 -15.790 -0.466 -8.506 1.00 0.00 H new ATOM 0 HA LYS A 563 -13.019 -0.599 -9.198 1.00 0.00 H new ATOM 0 HB2 LYS A 563 -13.705 0.484 -11.270 1.00 0.00 H new ATOM 0 HB3 LYS A 563 -14.711 -0.899 -10.886 1.00 0.00 H new ATOM 0 HG2 LYS A 563 -16.211 0.723 -11.704 1.00 0.00 H new ATOM 0 HG3 LYS A 563 -16.433 0.761 -9.966 1.00 0.00 H new ATOM 0 HD2 LYS A 563 -16.329 3.037 -10.869 1.00 0.00 H new ATOM 0 HD3 LYS A 563 -14.979 2.742 -9.791 1.00 0.00 H new ATOM 0 HE2 LYS A 563 -13.798 1.999 -12.099 1.00 0.00 H new ATOM 0 HE3 LYS A 563 -14.995 3.088 -12.770 1.00 0.00 H new ATOM 0 HZ1 LYS A 563 -13.341 4.556 -12.331 1.00 0.00 H new ATOM 0 HZ2 LYS A 563 -14.123 4.624 -10.825 1.00 0.00 H new ATOM 0 HZ3 LYS A 563 -12.727 3.676 -11.015 1.00 0.00 H new ATOM 977 N GLU A 564 -14.078 2.081 -7.811 1.00 0.00 N ATOM 978 CA GLU A 564 -13.668 3.367 -7.269 1.00 0.00 C ATOM 979 C GLU A 564 -12.621 3.156 -6.186 1.00 0.00 C ATOM 980 O GLU A 564 -11.620 3.870 -6.127 1.00 0.00 O ATOM 981 CB GLU A 564 -14.876 4.121 -6.700 1.00 0.00 C ATOM 982 CG GLU A 564 -15.979 4.387 -7.722 1.00 0.00 C ATOM 983 CD GLU A 564 -15.600 5.429 -8.760 1.00 0.00 C ATOM 984 OE1 GLU A 564 -14.532 5.294 -9.393 1.00 0.00 O ATOM 985 OE2 GLU A 564 -16.386 6.376 -8.971 1.00 0.00 O1- ATOM 0 H GLU A 564 -14.951 1.720 -7.426 1.00 0.00 H new ATOM 0 HA GLU A 564 -13.238 3.967 -8.071 1.00 0.00 H new ATOM 0 HB2 GLU A 564 -15.292 3.547 -5.872 1.00 0.00 H new ATOM 0 HB3 GLU A 564 -14.537 5.072 -6.290 1.00 0.00 H new ATOM 0 HG2 GLU A 564 -16.228 3.454 -8.228 1.00 0.00 H new ATOM 0 HG3 GLU A 564 -16.877 4.715 -7.199 1.00 0.00 H new ATOM 992 N LEU A 565 -12.851 2.156 -5.343 1.00 0.00 N ATOM 993 CA LEU A 565 -11.937 1.824 -4.270 1.00 0.00 C ATOM 994 C LEU A 565 -10.662 1.233 -4.849 1.00 0.00 C ATOM 995 O LEU A 565 -9.551 1.651 -4.513 1.00 0.00 O ATOM 996 CB LEU A 565 -12.613 0.816 -3.341 1.00 0.00 C ATOM 997 CG LEU A 565 -12.472 1.082 -1.847 1.00 0.00 C ATOM 998 CD1 LEU A 565 -13.343 0.113 -1.071 1.00 0.00 C ATOM 999 CD2 LEU A 565 -11.023 0.957 -1.415 1.00 0.00 C ATOM 0 H LEU A 565 -13.676 1.557 -5.388 1.00 0.00 H new ATOM 0 HA LEU A 565 -11.680 2.721 -3.707 1.00 0.00 H new ATOM 0 HB2 LEU A 565 -13.675 0.783 -3.585 1.00 0.00 H new ATOM 0 HB3 LEU A 565 -12.206 -0.173 -3.553 1.00 0.00 H new ATOM 0 HG LEU A 565 -12.800 2.100 -1.638 1.00 0.00 H new ATOM 0 HD11 LEU A 565 -13.240 0.306 -0.003 1.00 0.00 H new ATOM 0 HD12 LEU A 565 -14.384 0.245 -1.365 1.00 0.00 H new ATOM 0 HD13 LEU A 565 -13.032 -0.909 -1.287 1.00 0.00 H new ATOM 0 HD21 LEU A 565 -10.944 1.151 -0.345 1.00 0.00 H new ATOM 0 HD22 LEU A 565 -10.665 -0.050 -1.629 1.00 0.00 H new ATOM 0 HD23 LEU A 565 -10.417 1.681 -1.960 1.00 0.00 H new ATOM 1011 N ALA A 566 -10.844 0.278 -5.750 1.00 0.00 N ATOM 1012 CA ALA A 566 -9.735 -0.421 -6.378 1.00 0.00 C ATOM 1013 C ALA A 566 -8.858 0.523 -7.192 1.00 0.00 C ATOM 1014 O ALA A 566 -7.668 0.281 -7.352 1.00 0.00 O ATOM 1015 CB ALA A 566 -10.266 -1.541 -7.262 1.00 0.00 C ATOM 0 H ALA A 566 -11.763 -0.033 -6.065 1.00 0.00 H new ATOM 0 HA ALA A 566 -9.114 -0.843 -5.588 1.00 0.00 H new ATOM 0 HB1 ALA A 566 -9.431 -2.062 -7.730 1.00 0.00 H new ATOM 0 HB2 ALA A 566 -10.837 -2.243 -6.655 1.00 0.00 H new ATOM 0 HB3 ALA A 566 -10.910 -1.121 -8.034 1.00 0.00 H new ATOM 1021 N ASN A 567 -9.451 1.605 -7.688 1.00 0.00 N ATOM 1022 CA ASN A 567 -8.731 2.569 -8.524 1.00 0.00 C ATOM 1023 C ASN A 567 -7.448 3.032 -7.832 1.00 0.00 C ATOM 1024 O ASN A 567 -6.361 2.919 -8.384 1.00 0.00 O ATOM 1025 CB ASN A 567 -9.623 3.779 -8.838 1.00 0.00 C ATOM 1026 CG ASN A 567 -9.029 4.696 -9.895 1.00 0.00 C ATOM 1027 OD1 ASN A 567 -9.275 4.522 -11.091 1.00 0.00 O ATOM 1028 ND2 ASN A 567 -8.257 5.682 -9.468 1.00 0.00 N ATOM 0 H ASN A 567 -10.431 1.839 -7.527 1.00 0.00 H new ATOM 0 HA ASN A 567 -8.465 2.075 -9.458 1.00 0.00 H new ATOM 0 HB2 ASN A 567 -10.598 3.427 -9.176 1.00 0.00 H new ATOM 0 HB3 ASN A 567 -9.790 4.348 -7.923 1.00 0.00 H new ATOM 0 HD21 ASN A 567 -7.842 6.331 -10.137 1.00 0.00 H new ATOM 0 HD22 ASN A 567 -8.077 5.793 -8.470 1.00 0.00 H new ATOM 1035 N ILE A 568 -7.584 3.516 -6.608 1.00 0.00 N ATOM 1036 CA ILE A 568 -6.444 4.000 -5.836 1.00 0.00 C ATOM 1037 C ILE A 568 -5.740 2.838 -5.144 1.00 0.00 C ATOM 1038 O ILE A 568 -4.512 2.792 -5.088 1.00 0.00 O ATOM 1039 CB ILE A 568 -6.879 5.045 -4.777 1.00 0.00 C ATOM 1040 CG1 ILE A 568 -7.405 6.308 -5.469 1.00 0.00 C ATOM 1041 CG2 ILE A 568 -5.725 5.389 -3.835 1.00 0.00 C ATOM 1042 CD1 ILE A 568 -7.873 7.383 -4.510 1.00 0.00 C ATOM 0 H ILE A 568 -8.478 3.586 -6.122 1.00 0.00 H new ATOM 0 HA ILE A 568 -5.757 4.481 -6.532 1.00 0.00 H new ATOM 0 HB ILE A 568 -7.680 4.612 -4.178 1.00 0.00 H new ATOM 0 HG12 ILE A 568 -6.618 6.718 -6.103 1.00 0.00 H new ATOM 0 HG13 ILE A 568 -8.232 6.034 -6.124 1.00 0.00 H new ATOM 0 HG21 ILE A 568 -6.060 6.124 -3.103 1.00 0.00 H new ATOM 0 HG22 ILE A 568 -5.395 4.487 -3.319 1.00 0.00 H new ATOM 0 HG23 ILE A 568 -4.896 5.801 -4.410 1.00 0.00 H new ATOM 0 HD11 ILE A 568 -8.230 8.244 -5.075 1.00 0.00 H new ATOM 0 HD12 ILE A 568 -8.682 6.993 -3.893 1.00 0.00 H new ATOM 0 HD13 ILE A 568 -7.044 7.687 -3.871 1.00 0.00 H new ATOM 1054 N LEU A 569 -6.533 1.892 -4.646 1.00 0.00 N ATOM 1055 CA LEU A 569 -6.006 0.737 -3.917 1.00 0.00 C ATOM 1056 C LEU A 569 -4.960 -0.016 -4.754 1.00 0.00 C ATOM 1057 O LEU A 569 -3.995 -0.554 -4.216 1.00 0.00 O ATOM 1058 CB LEU A 569 -7.172 -0.189 -3.526 1.00 0.00 C ATOM 1059 CG LEU A 569 -6.973 -1.063 -2.275 1.00 0.00 C ATOM 1060 CD1 LEU A 569 -6.005 -2.199 -2.550 1.00 0.00 C ATOM 1061 CD2 LEU A 569 -6.496 -0.223 -1.095 1.00 0.00 C ATOM 0 H LEU A 569 -7.549 1.902 -4.734 1.00 0.00 H new ATOM 0 HA LEU A 569 -5.505 1.084 -3.013 1.00 0.00 H new ATOM 0 HB2 LEU A 569 -8.058 0.427 -3.373 1.00 0.00 H new ATOM 0 HB3 LEU A 569 -7.382 -0.846 -4.370 1.00 0.00 H new ATOM 0 HG LEU A 569 -7.938 -1.498 -2.016 1.00 0.00 H new ATOM 0 HD11 LEU A 569 -5.884 -2.800 -1.649 1.00 0.00 H new ATOM 0 HD12 LEU A 569 -6.396 -2.824 -3.353 1.00 0.00 H new ATOM 0 HD13 LEU A 569 -5.039 -1.790 -2.846 1.00 0.00 H new ATOM 0 HD21 LEU A 569 -6.363 -0.863 -0.223 1.00 0.00 H new ATOM 0 HD22 LEU A 569 -5.547 0.251 -1.346 1.00 0.00 H new ATOM 0 HD23 LEU A 569 -7.237 0.545 -0.872 1.00 0.00 H new ATOM 1073 N LYS A 570 -5.136 -0.024 -6.073 1.00 0.00 N ATOM 1074 CA LYS A 570 -4.216 -0.740 -6.959 1.00 0.00 C ATOM 1075 C LYS A 570 -2.886 -0.002 -7.124 1.00 0.00 C ATOM 1076 O LYS A 570 -1.917 -0.564 -7.628 1.00 0.00 O ATOM 1077 CB LYS A 570 -4.842 -0.956 -8.337 1.00 0.00 C ATOM 1078 CG LYS A 570 -5.962 -1.979 -8.356 1.00 0.00 C ATOM 1079 CD LYS A 570 -6.525 -2.154 -9.753 1.00 0.00 C ATOM 1080 CE LYS A 570 -7.693 -3.125 -9.762 1.00 0.00 C ATOM 1081 NZ LYS A 570 -8.215 -3.343 -11.131 1.00 0.00 N1+ ATOM 0 H LYS A 570 -5.901 0.453 -6.551 1.00 0.00 H new ATOM 0 HA LYS A 570 -4.020 -1.704 -6.490 1.00 0.00 H new ATOM 0 HB2 LYS A 570 -5.228 -0.004 -8.702 1.00 0.00 H new ATOM 0 HB3 LYS A 570 -4.064 -1.272 -9.032 1.00 0.00 H new ATOM 0 HG2 LYS A 570 -5.590 -2.936 -7.989 1.00 0.00 H new ATOM 0 HG3 LYS A 570 -6.756 -1.665 -7.678 1.00 0.00 H new ATOM 0 HD2 LYS A 570 -6.850 -1.188 -10.140 1.00 0.00 H new ATOM 0 HD3 LYS A 570 -5.743 -2.517 -10.419 1.00 0.00 H new ATOM 0 HE2 LYS A 570 -7.377 -4.078 -9.337 1.00 0.00 H new ATOM 0 HE3 LYS A 570 -8.490 -2.741 -9.126 1.00 0.00 H new ATOM 0 HZ1 LYS A 570 -9.011 -4.011 -11.097 1.00 0.00 H new ATOM 0 HZ2 LYS A 570 -8.540 -2.438 -11.527 1.00 0.00 H new ATOM 0 HZ3 LYS A 570 -7.461 -3.733 -11.732 1.00 0.00 H new ATOM 1095 N TYR A 571 -2.834 1.250 -6.715 1.00 0.00 N ATOM 1096 CA TYR A 571 -1.630 2.050 -6.891 1.00 0.00 C ATOM 1097 C TYR A 571 -0.670 1.851 -5.724 1.00 0.00 C ATOM 1098 O TYR A 571 0.526 2.096 -5.840 1.00 0.00 O ATOM 1099 CB TYR A 571 -2.014 3.521 -7.072 1.00 0.00 C ATOM 1100 CG TYR A 571 -0.864 4.503 -6.983 1.00 0.00 C ATOM 1101 CD1 TYR A 571 0.120 4.538 -7.959 1.00 0.00 C ATOM 1102 CD2 TYR A 571 -0.771 5.399 -5.925 1.00 0.00 C ATOM 1103 CE1 TYR A 571 1.165 5.436 -7.887 1.00 0.00 C ATOM 1104 CE2 TYR A 571 0.271 6.303 -5.845 1.00 0.00 C ATOM 1105 CZ TYR A 571 1.236 6.317 -6.833 1.00 0.00 C ATOM 1106 OH TYR A 571 2.281 7.209 -6.760 1.00 0.00 O ATOM 0 H TYR A 571 -3.606 1.737 -6.260 1.00 0.00 H new ATOM 0 HA TYR A 571 -1.107 1.722 -7.789 1.00 0.00 H new ATOM 0 HB2 TYR A 571 -2.496 3.637 -8.043 1.00 0.00 H new ATOM 0 HB3 TYR A 571 -2.754 3.783 -6.315 1.00 0.00 H new ATOM 0 HD1 TYR A 571 0.068 3.850 -8.790 1.00 0.00 H new ATOM 0 HD2 TYR A 571 -1.526 5.389 -5.152 1.00 0.00 H new ATOM 0 HE1 TYR A 571 1.924 5.447 -8.655 1.00 0.00 H new ATOM 0 HE2 TYR A 571 0.330 6.993 -5.016 1.00 0.00 H new ATOM 0 HH TYR A 571 2.997 6.924 -7.366 1.00 0.00 H new ATOM 1116 N HIS A 572 -1.192 1.354 -4.613 1.00 0.00 N ATOM 1117 CA HIS A 572 -0.363 1.051 -3.451 1.00 0.00 C ATOM 1118 C HIS A 572 0.386 -0.252 -3.656 1.00 0.00 C ATOM 1119 O HIS A 572 1.316 -0.574 -2.918 1.00 0.00 O ATOM 1120 CB HIS A 572 -1.222 0.975 -2.188 1.00 0.00 C ATOM 1121 CG HIS A 572 -1.581 2.317 -1.645 1.00 0.00 C ATOM 1122 ND1 HIS A 572 -1.306 2.850 -0.437 1.00 0.00 N flip ATOM 1123 CD2 HIS A 572 -2.230 3.249 -2.410 1.00 0.00 C flip ATOM 1124 CE1 HIS A 572 -1.782 4.133 -0.448 1.00 0.00 C flip ATOM 1125 NE2 HIS A 572 -2.328 4.323 -1.658 1.00 0.00 N flip ATOM 0 H HIS A 572 -2.184 1.151 -4.489 1.00 0.00 H new ATOM 0 HA HIS A 572 0.365 1.853 -3.330 1.00 0.00 H new ATOM 0 HB2 HIS A 572 -2.135 0.423 -2.409 1.00 0.00 H new ATOM 0 HB3 HIS A 572 -0.686 0.412 -1.424 1.00 0.00 H new ATOM 0 HD1 HIS A 572 -0.833 2.385 0.338 1.00 0.00 H new ATOM 0 HD2 HIS A 572 -2.587 3.127 -3.422 1.00 0.00 H new ATOM 0 HE1 HIS A 572 -1.729 4.850 0.358 1.00 0.00 H new ATOM 1133 N ILE A 573 -0.024 -0.986 -4.675 1.00 0.00 N ATOM 1134 CA ILE A 573 0.573 -2.266 -4.991 1.00 0.00 C ATOM 1135 C ILE A 573 1.466 -2.144 -6.224 1.00 0.00 C ATOM 1136 O ILE A 573 1.009 -1.734 -7.288 1.00 0.00 O ATOM 1137 CB ILE A 573 -0.526 -3.327 -5.238 1.00 0.00 C ATOM 1138 CG1 ILE A 573 -1.444 -3.438 -4.014 1.00 0.00 C ATOM 1139 CG2 ILE A 573 0.091 -4.678 -5.579 1.00 0.00 C ATOM 1140 CD1 ILE A 573 -2.610 -4.384 -4.208 1.00 0.00 C ATOM 0 H ILE A 573 -0.778 -0.710 -5.304 1.00 0.00 H new ATOM 0 HA ILE A 573 1.182 -2.581 -4.144 1.00 0.00 H new ATOM 0 HB ILE A 573 -1.126 -3.009 -6.091 1.00 0.00 H new ATOM 0 HG12 ILE A 573 -0.856 -3.772 -3.159 1.00 0.00 H new ATOM 0 HG13 ILE A 573 -1.828 -2.448 -3.769 1.00 0.00 H new ATOM 0 HG21 ILE A 573 -0.701 -5.407 -5.748 1.00 0.00 H new ATOM 0 HG22 ILE A 573 0.697 -4.584 -6.480 1.00 0.00 H new ATOM 0 HG23 ILE A 573 0.719 -5.010 -4.753 1.00 0.00 H new ATOM 0 HD11 ILE A 573 -3.213 -4.409 -3.300 1.00 0.00 H new ATOM 0 HD12 ILE A 573 -3.223 -4.040 -5.041 1.00 0.00 H new ATOM 0 HD13 ILE A 573 -2.235 -5.385 -4.422 1.00 0.00 H new ATOM 1152 N GLY A 574 2.744 -2.459 -6.061 1.00 0.00 N ATOM 1153 CA GLY A 574 3.654 -2.521 -7.191 1.00 0.00 C ATOM 1154 C GLY A 574 3.683 -3.908 -7.796 1.00 0.00 C ATOM 1155 O GLY A 574 3.398 -4.885 -7.102 1.00 0.00 O ATOM 0 H GLY A 574 3.170 -2.674 -5.160 1.00 0.00 H new ATOM 0 HA2 GLY A 574 3.348 -1.798 -7.947 1.00 0.00 H new ATOM 0 HA3 GLY A 574 4.657 -2.241 -6.869 1.00 0.00 H new ATOM 1159 N ASP A 575 4.051 -4.006 -9.069 1.00 0.00 N ATOM 1160 CA ASP A 575 3.925 -5.259 -9.814 1.00 0.00 C ATOM 1161 C ASP A 575 5.087 -6.219 -9.560 1.00 0.00 C ATOM 1162 O ASP A 575 5.072 -7.347 -10.051 1.00 0.00 O ATOM 1163 CB ASP A 575 3.802 -4.980 -11.315 1.00 0.00 C ATOM 1164 CG ASP A 575 5.097 -4.495 -11.941 1.00 0.00 C ATOM 1165 OD1 ASP A 575 5.503 -3.354 -11.656 1.00 0.00 O1- ATOM 1166 OD2 ASP A 575 5.702 -5.257 -12.728 1.00 0.00 O ATOM 0 H ASP A 575 4.440 -3.233 -9.609 1.00 0.00 H new ATOM 0 HA ASP A 575 3.018 -5.745 -9.453 1.00 0.00 H new ATOM 0 HB2 ASP A 575 3.479 -5.889 -11.822 1.00 0.00 H new ATOM 0 HB3 ASP A 575 3.025 -4.232 -11.477 1.00 0.00 H new ATOM 1171 N GLU A 576 6.086 -5.783 -8.805 1.00 0.00 N ATOM 1172 CA GLU A 576 7.195 -6.651 -8.444 1.00 0.00 C ATOM 1173 C GLU A 576 7.764 -6.252 -7.109 1.00 0.00 C ATOM 1174 O GLU A 576 7.430 -5.193 -6.579 1.00 0.00 O ATOM 1175 CB GLU A 576 8.283 -6.656 -9.517 1.00 0.00 C ATOM 1176 CG GLU A 576 8.845 -5.286 -9.854 1.00 0.00 C ATOM 1177 CD GLU A 576 9.966 -5.366 -10.871 1.00 0.00 C ATOM 1178 OE1 GLU A 576 9.682 -5.626 -12.059 1.00 0.00 O ATOM 1179 OE2 GLU A 576 11.140 -5.186 -10.490 1.00 0.00 O1- ATOM 0 H GLU A 576 6.150 -4.836 -8.432 1.00 0.00 H new ATOM 0 HA GLU A 576 6.808 -7.667 -8.369 1.00 0.00 H new ATOM 0 HB2 GLU A 576 9.099 -7.297 -9.185 1.00 0.00 H new ATOM 0 HB3 GLU A 576 7.877 -7.101 -10.425 1.00 0.00 H new ATOM 0 HG2 GLU A 576 8.048 -4.653 -10.243 1.00 0.00 H new ATOM 0 HG3 GLU A 576 9.214 -4.812 -8.945 1.00 0.00 H new ATOM 1186 N ILE A 577 8.619 -7.103 -6.561 1.00 0.00 N ATOM 1187 CA ILE A 577 9.077 -6.926 -5.201 1.00 0.00 C ATOM 1188 C ILE A 577 10.322 -6.051 -5.138 1.00 0.00 C ATOM 1189 O ILE A 577 11.369 -6.406 -5.681 1.00 0.00 O ATOM 1190 CB ILE A 577 9.389 -8.274 -4.514 1.00 0.00 C ATOM 1191 CG1 ILE A 577 8.231 -9.251 -4.708 1.00 0.00 C ATOM 1192 CG2 ILE A 577 9.666 -8.065 -3.030 1.00 0.00 C ATOM 1193 CD1 ILE A 577 8.503 -10.629 -4.149 1.00 0.00 C ATOM 0 H ILE A 577 9.005 -7.917 -7.039 1.00 0.00 H new ATOM 0 HA ILE A 577 8.259 -6.437 -4.672 1.00 0.00 H new ATOM 0 HB ILE A 577 10.281 -8.698 -4.975 1.00 0.00 H new ATOM 0 HG12 ILE A 577 7.339 -8.844 -4.231 1.00 0.00 H new ATOM 0 HG13 ILE A 577 8.013 -9.336 -5.773 1.00 0.00 H new ATOM 0 HG21 ILE A 577 9.884 -9.025 -2.562 1.00 0.00 H new ATOM 0 HG22 ILE A 577 10.521 -7.400 -2.910 1.00 0.00 H new ATOM 0 HG23 ILE A 577 8.791 -7.620 -2.556 1.00 0.00 H new ATOM 0 HD11 ILE A 577 7.638 -11.269 -4.322 1.00 0.00 H new ATOM 0 HD12 ILE A 577 9.376 -11.056 -4.643 1.00 0.00 H new ATOM 0 HD13 ILE A 577 8.692 -10.556 -3.078 1.00 0.00 H new ATOM 1205 N LEU A 578 10.199 -4.915 -4.476 1.00 0.00 N ATOM 1206 CA LEU A 578 11.331 -4.042 -4.226 1.00 0.00 C ATOM 1207 C LEU A 578 11.553 -3.926 -2.726 1.00 0.00 C ATOM 1208 O LEU A 578 10.874 -3.164 -2.039 1.00 0.00 O ATOM 1209 CB LEU A 578 11.102 -2.658 -4.837 1.00 0.00 C ATOM 1210 CG LEU A 578 12.260 -1.672 -4.674 1.00 0.00 C ATOM 1211 CD1 LEU A 578 13.483 -2.149 -5.444 1.00 0.00 C ATOM 1212 CD2 LEU A 578 11.842 -0.289 -5.138 1.00 0.00 C ATOM 0 H LEU A 578 9.316 -4.573 -4.098 1.00 0.00 H new ATOM 0 HA LEU A 578 12.217 -4.471 -4.695 1.00 0.00 H new ATOM 0 HB2 LEU A 578 10.896 -2.778 -5.901 1.00 0.00 H new ATOM 0 HB3 LEU A 578 10.210 -2.223 -4.386 1.00 0.00 H new ATOM 0 HG LEU A 578 12.523 -1.618 -3.618 1.00 0.00 H new ATOM 0 HD11 LEU A 578 14.296 -1.434 -5.315 1.00 0.00 H new ATOM 0 HD12 LEU A 578 13.794 -3.123 -5.066 1.00 0.00 H new ATOM 0 HD13 LEU A 578 13.237 -2.232 -6.503 1.00 0.00 H new ATOM 0 HD21 LEU A 578 12.675 0.403 -5.017 1.00 0.00 H new ATOM 0 HD22 LEU A 578 11.554 -0.329 -6.188 1.00 0.00 H new ATOM 0 HD23 LEU A 578 10.996 0.054 -4.543 1.00 0.00 H new ATOM 1224 N VAL A 579 12.489 -4.712 -2.219 1.00 0.00 N ATOM 1225 CA VAL A 579 12.758 -4.754 -0.791 1.00 0.00 C ATOM 1226 C VAL A 579 13.606 -3.569 -0.359 1.00 0.00 C ATOM 1227 O VAL A 579 14.110 -2.821 -1.197 1.00 0.00 O ATOM 1228 CB VAL A 579 13.458 -6.071 -0.396 1.00 0.00 C ATOM 1229 CG1 VAL A 579 12.513 -7.239 -0.603 1.00 0.00 C ATOM 1230 CG2 VAL A 579 14.736 -6.270 -1.198 1.00 0.00 C ATOM 0 H VAL A 579 13.077 -5.331 -2.777 1.00 0.00 H new ATOM 0 HA VAL A 579 11.798 -4.702 -0.278 1.00 0.00 H new ATOM 0 HB VAL A 579 13.730 -6.017 0.658 1.00 0.00 H new ATOM 0 HG11 VAL A 579 13.013 -8.166 -0.322 1.00 0.00 H new ATOM 0 HG12 VAL A 579 11.626 -7.104 0.016 1.00 0.00 H new ATOM 0 HG13 VAL A 579 12.220 -7.288 -1.652 1.00 0.00 H new ATOM 0 HG21 VAL A 579 15.210 -7.205 -0.901 1.00 0.00 H new ATOM 0 HG22 VAL A 579 14.497 -6.306 -2.261 1.00 0.00 H new ATOM 0 HG23 VAL A 579 15.418 -5.441 -1.008 1.00 0.00 H new ATOM 1240 N SER A 580 13.751 -3.401 0.948 1.00 0.00 N ATOM 1241 CA SER A 580 14.559 -2.320 1.509 1.00 0.00 C ATOM 1242 C SER A 580 15.994 -2.349 0.977 1.00 0.00 C ATOM 1243 O SER A 580 16.633 -1.308 0.850 1.00 0.00 O ATOM 1244 CB SER A 580 14.562 -2.401 3.032 1.00 0.00 C ATOM 1245 OG SER A 580 13.237 -2.450 3.531 1.00 0.00 O ATOM 0 H SER A 580 13.317 -4.004 1.647 1.00 0.00 H new ATOM 0 HA SER A 580 14.110 -1.377 1.198 1.00 0.00 H new ATOM 0 HB2 SER A 580 15.110 -3.286 3.353 1.00 0.00 H new ATOM 0 HB3 SER A 580 15.081 -1.537 3.447 1.00 0.00 H new ATOM 0 HG SER A 580 12.619 -2.106 2.853 1.00 0.00 H new ATOM 1251 N GLY A 581 16.490 -3.543 0.654 1.00 0.00 N ATOM 1252 CA GLY A 581 17.814 -3.664 0.058 1.00 0.00 C ATOM 1253 C GLY A 581 17.862 -3.096 -1.349 1.00 0.00 C ATOM 1254 O GLY A 581 18.938 -2.895 -1.917 1.00 0.00 O ATOM 0 H GLY A 581 16.001 -4.427 0.794 1.00 0.00 H new ATOM 0 HA2 GLY A 581 18.541 -3.145 0.683 1.00 0.00 H new ATOM 0 HA3 GLY A 581 18.106 -4.714 0.035 1.00 0.00 H new ATOM 1258 N GLY A 582 16.689 -2.846 -1.915 1.00 0.00 N ATOM 1259 CA GLY A 582 16.596 -2.247 -3.227 1.00 0.00 C ATOM 1260 C GLY A 582 16.286 -0.767 -3.138 1.00 0.00 C ATOM 1261 O GLY A 582 16.624 0.002 -4.040 1.00 0.00 O ATOM 0 H GLY A 582 15.790 -3.052 -1.480 1.00 0.00 H new ATOM 0 HA2 GLY A 582 17.534 -2.392 -3.762 1.00 0.00 H new ATOM 0 HA3 GLY A 582 15.819 -2.749 -3.804 1.00 0.00 H new ATOM 1265 N ILE A 583 15.625 -0.380 -2.046 1.00 0.00 N ATOM 1266 CA ILE A 583 15.319 1.017 -1.762 1.00 0.00 C ATOM 1267 C ILE A 583 16.611 1.820 -1.635 1.00 0.00 C ATOM 1268 O ILE A 583 17.331 1.713 -0.641 1.00 0.00 O ATOM 1269 CB ILE A 583 14.483 1.128 -0.461 1.00 0.00 C ATOM 1270 CG1 ILE A 583 13.189 0.327 -0.615 1.00 0.00 C ATOM 1271 CG2 ILE A 583 14.167 2.579 -0.103 1.00 0.00 C ATOM 1272 CD1 ILE A 583 12.351 0.280 0.642 1.00 0.00 C ATOM 0 H ILE A 583 15.288 -1.029 -1.335 1.00 0.00 H new ATOM 0 HA ILE A 583 14.734 1.425 -2.586 1.00 0.00 H new ATOM 0 HB ILE A 583 15.077 0.718 0.355 1.00 0.00 H new ATOM 0 HG12 ILE A 583 12.597 0.762 -1.420 1.00 0.00 H new ATOM 0 HG13 ILE A 583 13.436 -0.691 -0.915 1.00 0.00 H new ATOM 0 HG21 ILE A 583 13.580 2.608 0.815 1.00 0.00 H new ATOM 0 HG22 ILE A 583 15.097 3.128 0.044 1.00 0.00 H new ATOM 0 HG23 ILE A 583 13.598 3.038 -0.912 1.00 0.00 H new ATOM 0 HD11 ILE A 583 11.450 -0.305 0.457 1.00 0.00 H new ATOM 0 HD12 ILE A 583 12.925 -0.182 1.445 1.00 0.00 H new ATOM 0 HD13 ILE A 583 12.073 1.293 0.932 1.00 0.00 H new ATOM 1284 N GLY A 584 16.920 2.585 -2.670 1.00 0.00 N ATOM 1285 CA GLY A 584 18.140 3.363 -2.682 1.00 0.00 C ATOM 1286 C GLY A 584 17.867 4.849 -2.700 1.00 0.00 C ATOM 1287 O GLY A 584 16.979 5.323 -2.000 1.00 0.00 O ATOM 0 H GLY A 584 16.344 2.681 -3.506 1.00 0.00 H new ATOM 0 HA2 GLY A 584 18.736 3.115 -1.804 1.00 0.00 H new ATOM 0 HA3 GLY A 584 18.733 3.093 -3.556 1.00 0.00 H new ATOM 1291 N ALA A 585 18.611 5.584 -3.519 1.00 0.00 N ATOM 1292 CA ALA A 585 18.472 7.035 -3.584 1.00 0.00 C ATOM 1293 C ALA A 585 17.053 7.418 -3.988 1.00 0.00 C ATOM 1294 O ALA A 585 16.341 8.086 -3.241 1.00 0.00 O ATOM 1295 CB ALA A 585 19.484 7.620 -4.557 1.00 0.00 C ATOM 0 H ALA A 585 19.317 5.199 -4.147 1.00 0.00 H new ATOM 0 HA ALA A 585 18.668 7.448 -2.594 1.00 0.00 H new ATOM 0 HB1 ALA A 585 19.368 8.703 -4.595 1.00 0.00 H new ATOM 0 HB2 ALA A 585 20.493 7.374 -4.224 1.00 0.00 H new ATOM 0 HB3 ALA A 585 19.318 7.202 -5.550 1.00 0.00 H new ATOM 1301 N LEU A 586 16.651 6.978 -5.169 1.00 0.00 N ATOM 1302 CA LEU A 586 15.299 7.198 -5.653 1.00 0.00 C ATOM 1303 C LEU A 586 14.985 6.157 -6.715 1.00 0.00 C ATOM 1304 O LEU A 586 15.584 6.146 -7.791 1.00 0.00 O ATOM 1305 CB LEU A 586 15.152 8.622 -6.211 1.00 0.00 C ATOM 1306 CG LEU A 586 13.718 9.101 -6.476 1.00 0.00 C ATOM 1307 CD1 LEU A 586 13.664 10.618 -6.467 1.00 0.00 C ATOM 1308 CD2 LEU A 586 13.203 8.586 -7.811 1.00 0.00 C ATOM 0 H LEU A 586 17.248 6.462 -5.815 1.00 0.00 H new ATOM 0 HA LEU A 586 14.590 7.096 -4.831 1.00 0.00 H new ATOM 0 HB2 LEU A 586 15.621 9.314 -5.512 1.00 0.00 H new ATOM 0 HB3 LEU A 586 15.712 8.684 -7.144 1.00 0.00 H new ATOM 0 HG LEU A 586 13.083 8.706 -5.683 1.00 0.00 H new ATOM 0 HD11 LEU A 586 12.642 10.947 -6.656 1.00 0.00 H new ATOM 0 HD12 LEU A 586 13.990 10.988 -5.495 1.00 0.00 H new ATOM 0 HD13 LEU A 586 14.321 11.010 -7.244 1.00 0.00 H new ATOM 0 HD21 LEU A 586 12.185 8.942 -7.970 1.00 0.00 H new ATOM 0 HD22 LEU A 586 13.844 8.950 -8.613 1.00 0.00 H new ATOM 0 HD23 LEU A 586 13.210 7.496 -7.808 1.00 0.00 H new ATOM 1320 N VAL A 587 14.062 5.270 -6.400 1.00 0.00 N ATOM 1321 CA VAL A 587 13.688 4.204 -7.308 1.00 0.00 C ATOM 1322 C VAL A 587 12.202 4.282 -7.623 1.00 0.00 C ATOM 1323 O VAL A 587 11.377 4.456 -6.727 1.00 0.00 O ATOM 1324 CB VAL A 587 14.020 2.812 -6.728 1.00 0.00 C ATOM 1325 CG1 VAL A 587 13.608 1.712 -7.696 1.00 0.00 C ATOM 1326 CG2 VAL A 587 15.502 2.705 -6.411 1.00 0.00 C ATOM 0 H VAL A 587 13.554 5.267 -5.515 1.00 0.00 H new ATOM 0 HA VAL A 587 14.267 4.336 -8.222 1.00 0.00 H new ATOM 0 HB VAL A 587 13.456 2.687 -5.804 1.00 0.00 H new ATOM 0 HG11 VAL A 587 13.851 0.740 -7.267 1.00 0.00 H new ATOM 0 HG12 VAL A 587 12.535 1.770 -7.878 1.00 0.00 H new ATOM 0 HG13 VAL A 587 14.143 1.837 -8.638 1.00 0.00 H new ATOM 0 HG21 VAL A 587 15.716 1.717 -6.003 1.00 0.00 H new ATOM 0 HG22 VAL A 587 16.081 2.855 -7.322 1.00 0.00 H new ATOM 0 HG23 VAL A 587 15.773 3.466 -5.680 1.00 0.00 H new ATOM 1336 N ARG A 588 11.876 4.168 -8.894 1.00 0.00 N ATOM 1337 CA ARG A 588 10.500 4.244 -9.336 1.00 0.00 C ATOM 1338 C ARG A 588 9.947 2.836 -9.556 1.00 0.00 C ATOM 1339 O ARG A 588 10.548 2.023 -10.259 1.00 0.00 O ATOM 1340 CB ARG A 588 10.389 5.086 -10.624 1.00 0.00 C ATOM 1341 CG ARG A 588 11.019 4.453 -11.865 1.00 0.00 C ATOM 1342 CD ARG A 588 12.543 4.474 -11.823 1.00 0.00 C ATOM 1343 NE ARG A 588 13.128 3.569 -12.813 1.00 0.00 N ATOM 1344 CZ ARG A 588 14.297 2.941 -12.660 1.00 0.00 C ATOM 1345 NH1 ARG A 588 15.049 3.165 -11.587 1.00 0.00 N1+ ATOM 1346 NH2 ARG A 588 14.714 2.100 -13.594 1.00 0.00 N ATOM 0 H ARG A 588 12.552 4.021 -9.644 1.00 0.00 H new ATOM 0 HA ARG A 588 9.907 4.735 -8.564 1.00 0.00 H new ATOM 0 HB2 ARG A 588 9.335 5.276 -10.827 1.00 0.00 H new ATOM 0 HB3 ARG A 588 10.859 6.054 -10.449 1.00 0.00 H new ATOM 0 HG2 ARG A 588 10.676 3.423 -11.957 1.00 0.00 H new ATOM 0 HG3 ARG A 588 10.676 4.984 -12.753 1.00 0.00 H new ATOM 0 HD2 ARG A 588 12.897 5.489 -12.004 1.00 0.00 H new ATOM 0 HD3 ARG A 588 12.883 4.191 -10.827 1.00 0.00 H new ATOM 0 HE ARG A 588 12.609 3.407 -13.676 1.00 0.00 H new ATOM 0 HH11 ARG A 588 14.735 3.821 -10.872 1.00 0.00 H new ATOM 0 HH12 ARG A 588 15.940 2.681 -11.479 1.00 0.00 H new ATOM 0 HH21 ARG A 588 14.144 1.935 -14.423 1.00 0.00 H new ATOM 0 HH22 ARG A 588 15.606 1.617 -13.484 1.00 0.00 H new ATOM 1360 N LEU A 589 8.821 2.546 -8.933 1.00 0.00 N ATOM 1361 CA LEU A 589 8.198 1.237 -9.047 1.00 0.00 C ATOM 1362 C LEU A 589 6.808 1.392 -9.652 1.00 0.00 C ATOM 1363 O LEU A 589 6.004 2.169 -9.155 1.00 0.00 O ATOM 1364 CB LEU A 589 8.099 0.590 -7.659 1.00 0.00 C ATOM 1365 CG LEU A 589 8.363 -0.916 -7.589 1.00 0.00 C ATOM 1366 CD1 LEU A 589 8.165 -1.411 -6.167 1.00 0.00 C ATOM 1367 CD2 LEU A 589 7.455 -1.671 -8.539 1.00 0.00 C ATOM 0 H LEU A 589 8.315 3.202 -8.339 1.00 0.00 H new ATOM 0 HA LEU A 589 8.801 0.598 -9.692 1.00 0.00 H new ATOM 0 HB2 LEU A 589 8.805 1.092 -6.997 1.00 0.00 H new ATOM 0 HB3 LEU A 589 7.101 0.781 -7.264 1.00 0.00 H new ATOM 0 HG LEU A 589 9.394 -1.099 -7.891 1.00 0.00 H new ATOM 0 HD11 LEU A 589 8.355 -2.484 -6.125 1.00 0.00 H new ATOM 0 HD12 LEU A 589 8.857 -0.894 -5.502 1.00 0.00 H new ATOM 0 HD13 LEU A 589 7.141 -1.211 -5.851 1.00 0.00 H new ATOM 0 HD21 LEU A 589 7.663 -2.739 -8.470 1.00 0.00 H new ATOM 0 HD22 LEU A 589 6.415 -1.486 -8.272 1.00 0.00 H new ATOM 0 HD23 LEU A 589 7.634 -1.332 -9.559 1.00 0.00 H new ATOM 1379 N LYS A 590 6.529 0.681 -10.730 1.00 0.00 N ATOM 1380 CA LYS A 590 5.221 0.754 -11.349 1.00 0.00 C ATOM 1381 C LYS A 590 4.194 -0.014 -10.525 1.00 0.00 C ATOM 1382 O LYS A 590 4.496 -1.051 -9.935 1.00 0.00 O ATOM 1383 CB LYS A 590 5.268 0.225 -12.779 1.00 0.00 C ATOM 1384 CG LYS A 590 5.631 1.277 -13.821 1.00 0.00 C ATOM 1385 CD LYS A 590 4.587 2.382 -13.874 1.00 0.00 C ATOM 1386 CE LYS A 590 4.836 3.346 -15.023 1.00 0.00 C ATOM 1387 NZ LYS A 590 3.776 4.388 -15.110 1.00 0.00 N1+ ATOM 0 H LYS A 590 7.186 0.052 -11.191 1.00 0.00 H new ATOM 0 HA LYS A 590 4.919 1.801 -11.384 1.00 0.00 H new ATOM 0 HB2 LYS A 590 5.993 -0.587 -12.831 1.00 0.00 H new ATOM 0 HB3 LYS A 590 4.296 -0.199 -13.030 1.00 0.00 H new ATOM 0 HG2 LYS A 590 6.605 1.705 -13.585 1.00 0.00 H new ATOM 0 HG3 LYS A 590 5.717 0.807 -14.801 1.00 0.00 H new ATOM 0 HD2 LYS A 590 3.596 1.940 -13.980 1.00 0.00 H new ATOM 0 HD3 LYS A 590 4.592 2.931 -12.932 1.00 0.00 H new ATOM 0 HE2 LYS A 590 5.806 3.825 -14.892 1.00 0.00 H new ATOM 0 HE3 LYS A 590 4.878 2.791 -15.960 1.00 0.00 H new ATOM 0 HZ1 LYS A 590 3.433 4.454 -16.090 1.00 0.00 H new ATOM 0 HZ2 LYS A 590 2.986 4.133 -14.483 1.00 0.00 H new ATOM 0 HZ3 LYS A 590 4.167 5.306 -14.818 1.00 0.00 H new ATOM 1401 N SER A 591 2.988 0.514 -10.469 1.00 0.00 N ATOM 1402 CA SER A 591 1.944 -0.093 -9.670 1.00 0.00 C ATOM 1403 C SER A 591 0.897 -0.756 -10.562 1.00 0.00 C ATOM 1404 O SER A 591 0.997 -0.720 -11.787 1.00 0.00 O ATOM 1405 CB SER A 591 1.274 0.965 -8.804 1.00 0.00 C ATOM 1406 OG SER A 591 0.543 1.862 -9.613 1.00 0.00 O ATOM 0 H SER A 591 2.708 1.360 -10.966 1.00 0.00 H new ATOM 0 HA SER A 591 2.397 -0.854 -9.035 1.00 0.00 H new ATOM 0 HB2 SER A 591 0.609 0.489 -8.083 1.00 0.00 H new ATOM 0 HB3 SER A 591 2.027 1.509 -8.233 1.00 0.00 H new ATOM 0 HG SER A 591 1.161 2.367 -10.182 1.00 0.00 H new ATOM 1412 N LEU A 592 -0.121 -1.319 -9.932 1.00 0.00 N ATOM 1413 CA LEU A 592 -1.224 -1.958 -10.628 1.00 0.00 C ATOM 1414 C LEU A 592 -2.152 -0.928 -11.263 1.00 0.00 C ATOM 1415 O LEU A 592 -2.695 -1.160 -12.342 1.00 0.00 O ATOM 1416 CB LEU A 592 -2.022 -2.825 -9.654 1.00 0.00 C ATOM 1417 CG LEU A 592 -1.413 -4.180 -9.286 1.00 0.00 C ATOM 1418 CD1 LEU A 592 0.026 -4.064 -8.824 1.00 0.00 C ATOM 1419 CD2 LEU A 592 -2.268 -4.848 -8.225 1.00 0.00 C ATOM 0 H LEU A 592 -0.205 -1.345 -8.916 1.00 0.00 H new ATOM 0 HA LEU A 592 -0.804 -2.578 -11.420 1.00 0.00 H new ATOM 0 HB2 LEU A 592 -2.170 -2.257 -8.735 1.00 0.00 H new ATOM 0 HB3 LEU A 592 -3.008 -3.000 -10.083 1.00 0.00 H new ATOM 0 HG LEU A 592 -1.399 -4.795 -10.186 1.00 0.00 H new ATOM 0 HD11 LEU A 592 0.409 -5.054 -8.576 1.00 0.00 H new ATOM 0 HD12 LEU A 592 0.630 -3.630 -9.621 1.00 0.00 H new ATOM 0 HD13 LEU A 592 0.075 -3.424 -7.943 1.00 0.00 H new ATOM 0 HD21 LEU A 592 -1.834 -5.813 -7.963 1.00 0.00 H new ATOM 0 HD22 LEU A 592 -2.308 -4.215 -7.338 1.00 0.00 H new ATOM 0 HD23 LEU A 592 -3.277 -4.996 -8.611 1.00 0.00 H new ATOM 1431 N GLN A 593 -2.348 0.206 -10.591 1.00 0.00 N ATOM 1432 CA GLN A 593 -3.213 1.253 -11.131 1.00 0.00 C ATOM 1433 C GLN A 593 -2.603 1.835 -12.397 1.00 0.00 C ATOM 1434 O GLN A 593 -3.305 2.263 -13.312 1.00 0.00 O ATOM 1435 CB GLN A 593 -3.412 2.379 -10.121 1.00 0.00 C ATOM 1436 CG GLN A 593 -4.268 3.500 -10.675 1.00 0.00 C ATOM 1437 CD GLN A 593 -4.057 4.819 -9.968 1.00 0.00 C ATOM 1438 OE1 GLN A 593 -3.191 5.600 -10.354 1.00 0.00 O ATOM 1439 NE2 GLN A 593 -4.844 5.080 -8.940 1.00 0.00 N ATOM 0 H GLN A 593 -1.927 0.421 -9.687 1.00 0.00 H new ATOM 0 HA GLN A 593 -4.179 0.800 -11.354 1.00 0.00 H new ATOM 0 HB2 GLN A 593 -3.878 1.979 -9.221 1.00 0.00 H new ATOM 0 HB3 GLN A 593 -2.441 2.777 -9.827 1.00 0.00 H new ATOM 0 HG2 GLN A 593 -4.049 3.625 -11.735 1.00 0.00 H new ATOM 0 HG3 GLN A 593 -5.318 3.218 -10.598 1.00 0.00 H new ATOM 0 HE21 GLN A 593 -5.550 4.402 -8.654 1.00 0.00 H new ATOM 0 HE22 GLN A 593 -4.745 5.959 -8.433 1.00 0.00 H new ATOM 1448 N GLY A 594 -1.287 1.823 -12.439 1.00 0.00 N ATOM 1449 CA GLY A 594 -0.584 2.205 -13.643 1.00 0.00 C ATOM 1450 C GLY A 594 0.451 3.291 -13.434 1.00 0.00 C ATOM 1451 O GLY A 594 1.372 3.425 -14.242 1.00 0.00 O ATOM 0 H GLY A 594 -0.687 1.555 -11.659 1.00 0.00 H new ATOM 0 HA2 GLY A 594 -0.093 1.325 -14.060 1.00 0.00 H new ATOM 0 HA3 GLY A 594 -1.309 2.546 -14.382 1.00 0.00 H new ATOM 1455 N ASP A 595 0.326 4.078 -12.367 1.00 0.00 N ATOM 1456 CA ASP A 595 1.303 5.128 -12.114 1.00 0.00 C ATOM 1457 C ASP A 595 2.544 4.554 -11.427 1.00 0.00 C ATOM 1458 O ASP A 595 2.740 3.338 -11.403 1.00 0.00 O ATOM 1459 CB ASP A 595 0.697 6.271 -11.294 1.00 0.00 C ATOM 1460 CG ASP A 595 1.477 7.562 -11.470 1.00 0.00 C ATOM 1461 OD1 ASP A 595 1.310 8.222 -12.515 1.00 0.00 O1- ATOM 1462 OD2 ASP A 595 2.296 7.899 -10.586 1.00 0.00 O ATOM 0 H ASP A 595 -0.425 4.010 -11.680 1.00 0.00 H new ATOM 0 HA ASP A 595 1.606 5.543 -13.075 1.00 0.00 H new ATOM 0 HB2 ASP A 595 -0.338 6.427 -11.597 1.00 0.00 H new ATOM 0 HB3 ASP A 595 0.683 5.995 -10.240 1.00 0.00 H new ATOM 1467 N LYS A 596 3.376 5.423 -10.876 1.00 0.00 N ATOM 1468 CA LYS A 596 4.675 5.024 -10.369 1.00 0.00 C ATOM 1469 C LYS A 596 4.838 5.396 -8.899 1.00 0.00 C ATOM 1470 O LYS A 596 4.479 6.496 -8.479 1.00 0.00 O ATOM 1471 CB LYS A 596 5.775 5.671 -11.225 1.00 0.00 C ATOM 1472 CG LYS A 596 5.556 7.156 -11.488 1.00 0.00 C ATOM 1473 CD LYS A 596 6.209 8.032 -10.431 1.00 0.00 C ATOM 1474 CE LYS A 596 5.638 9.440 -10.443 1.00 0.00 C ATOM 1475 NZ LYS A 596 4.276 9.491 -9.845 1.00 0.00 N1+ ATOM 0 H LYS A 596 3.171 6.416 -10.769 1.00 0.00 H new ATOM 0 HA LYS A 596 4.759 3.939 -10.435 1.00 0.00 H new ATOM 0 HB2 LYS A 596 6.735 5.537 -10.727 1.00 0.00 H new ATOM 0 HB3 LYS A 596 5.835 5.148 -12.179 1.00 0.00 H new ATOM 0 HG2 LYS A 596 5.958 7.412 -12.468 1.00 0.00 H new ATOM 0 HG3 LYS A 596 4.486 7.363 -11.518 1.00 0.00 H new ATOM 0 HD2 LYS A 596 6.062 7.587 -9.447 1.00 0.00 H new ATOM 0 HD3 LYS A 596 7.284 8.073 -10.605 1.00 0.00 H new ATOM 0 HE2 LYS A 596 6.302 10.106 -9.892 1.00 0.00 H new ATOM 0 HE3 LYS A 596 5.598 9.807 -11.469 1.00 0.00 H new ATOM 0 HZ1 LYS A 596 3.970 10.481 -9.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 596 3.610 8.972 -10.453 1.00 0.00 H new ATOM 0 HZ3 LYS A 596 4.295 9.055 -8.901 1.00 0.00 H new ATOM 1489 N LEU A 597 5.367 4.461 -8.129 1.00 0.00 N ATOM 1490 CA LEU A 597 5.691 4.699 -6.739 1.00 0.00 C ATOM 1491 C LEU A 597 7.070 5.335 -6.641 1.00 0.00 C ATOM 1492 O LEU A 597 8.058 4.778 -7.128 1.00 0.00 O ATOM 1493 CB LEU A 597 5.658 3.392 -5.935 1.00 0.00 C ATOM 1494 CG LEU A 597 4.320 2.647 -5.938 1.00 0.00 C ATOM 1495 CD1 LEU A 597 4.423 1.377 -5.107 1.00 0.00 C ATOM 1496 CD2 LEU A 597 3.212 3.543 -5.408 1.00 0.00 C ATOM 0 H LEU A 597 5.583 3.518 -8.452 1.00 0.00 H new ATOM 0 HA LEU A 597 4.945 5.374 -6.319 1.00 0.00 H new ATOM 0 HB2 LEU A 597 6.426 2.725 -6.328 1.00 0.00 H new ATOM 0 HB3 LEU A 597 5.927 3.615 -4.902 1.00 0.00 H new ATOM 0 HG LEU A 597 4.077 2.371 -6.964 1.00 0.00 H new ATOM 0 HD11 LEU A 597 3.465 0.857 -5.117 1.00 0.00 H new ATOM 0 HD12 LEU A 597 5.192 0.729 -5.527 1.00 0.00 H new ATOM 0 HD13 LEU A 597 4.685 1.634 -4.081 1.00 0.00 H new ATOM 0 HD21 LEU A 597 2.268 2.998 -5.417 1.00 0.00 H new ATOM 0 HD22 LEU A 597 3.446 3.846 -4.388 1.00 0.00 H new ATOM 0 HD23 LEU A 597 3.126 4.428 -6.039 1.00 0.00 H new ATOM 1508 N GLU A 598 7.127 6.507 -6.035 1.00 0.00 N ATOM 1509 CA GLU A 598 8.376 7.246 -5.898 1.00 0.00 C ATOM 1510 C GLU A 598 9.057 6.899 -4.583 1.00 0.00 C ATOM 1511 O GLU A 598 8.798 7.528 -3.560 1.00 0.00 O ATOM 1512 CB GLU A 598 8.107 8.750 -5.971 1.00 0.00 C ATOM 1513 CG GLU A 598 7.454 9.173 -7.271 1.00 0.00 C ATOM 1514 CD GLU A 598 7.024 10.626 -7.273 1.00 0.00 C ATOM 1515 OE1 GLU A 598 7.890 11.514 -7.415 1.00 0.00 O1- ATOM 1516 OE2 GLU A 598 5.807 10.889 -7.148 1.00 0.00 O ATOM 0 H GLU A 598 6.317 6.973 -5.626 1.00 0.00 H new ATOM 0 HA GLU A 598 9.038 6.965 -6.717 1.00 0.00 H new ATOM 0 HB2 GLU A 598 7.466 9.040 -5.138 1.00 0.00 H new ATOM 0 HB3 GLU A 598 9.048 9.288 -5.852 1.00 0.00 H new ATOM 0 HG2 GLU A 598 8.151 9.005 -8.092 1.00 0.00 H new ATOM 0 HG3 GLU A 598 6.584 8.542 -7.456 1.00 0.00 H new ATOM 1523 N VAL A 599 9.906 5.884 -4.612 1.00 0.00 N ATOM 1524 CA VAL A 599 10.574 5.408 -3.415 1.00 0.00 C ATOM 1525 C VAL A 599 11.938 6.075 -3.247 1.00 0.00 C ATOM 1526 O VAL A 599 12.711 6.157 -4.202 1.00 0.00 O ATOM 1527 CB VAL A 599 10.752 3.874 -3.455 1.00 0.00 C ATOM 1528 CG1 VAL A 599 11.344 3.358 -2.152 1.00 0.00 C ATOM 1529 CG2 VAL A 599 9.423 3.193 -3.748 1.00 0.00 C ATOM 0 H VAL A 599 10.149 5.371 -5.460 1.00 0.00 H new ATOM 0 HA VAL A 599 9.945 5.670 -2.564 1.00 0.00 H new ATOM 0 HB VAL A 599 11.449 3.634 -4.258 1.00 0.00 H new ATOM 0 HG11 VAL A 599 11.458 2.275 -2.208 1.00 0.00 H new ATOM 0 HG12 VAL A 599 12.318 3.818 -1.988 1.00 0.00 H new ATOM 0 HG13 VAL A 599 10.680 3.610 -1.325 1.00 0.00 H new ATOM 0 HG21 VAL A 599 9.565 2.113 -3.773 1.00 0.00 H new ATOM 0 HG22 VAL A 599 8.705 3.446 -2.968 1.00 0.00 H new ATOM 0 HG23 VAL A 599 9.046 3.531 -4.713 1.00 0.00 H new ATOM 1539 N SER A 600 12.235 6.549 -2.039 1.00 0.00 N ATOM 1540 CA SER A 600 13.499 7.227 -1.784 1.00 0.00 C ATOM 1541 C SER A 600 14.010 6.893 -0.384 1.00 0.00 C ATOM 1542 O SER A 600 13.237 6.847 0.564 1.00 0.00 O ATOM 1543 CB SER A 600 13.319 8.745 -1.942 1.00 0.00 C ATOM 1544 OG SER A 600 14.550 9.436 -1.799 1.00 0.00 O ATOM 0 H SER A 600 11.621 6.476 -1.228 1.00 0.00 H new ATOM 0 HA SER A 600 14.237 6.882 -2.509 1.00 0.00 H new ATOM 0 HB2 SER A 600 12.892 8.961 -2.921 1.00 0.00 H new ATOM 0 HB3 SER A 600 12.610 9.107 -1.198 1.00 0.00 H new ATOM 0 HG SER A 600 15.252 8.957 -2.287 1.00 0.00 H new ATOM 1550 N LEU A 601 15.298 6.625 -0.265 1.00 0.00 N ATOM 1551 CA LEU A 601 15.910 6.378 1.030 1.00 0.00 C ATOM 1552 C LEU A 601 16.884 7.502 1.362 1.00 0.00 C ATOM 1553 O LEU A 601 17.921 7.649 0.712 1.00 0.00 O ATOM 1554 CB LEU A 601 16.645 5.036 1.014 1.00 0.00 C ATOM 1555 CG LEU A 601 17.331 4.643 2.324 1.00 0.00 C ATOM 1556 CD1 LEU A 601 16.306 4.478 3.433 1.00 0.00 C ATOM 1557 CD2 LEU A 601 18.129 3.363 2.144 1.00 0.00 C ATOM 0 H LEU A 601 15.944 6.573 -1.053 1.00 0.00 H new ATOM 0 HA LEU A 601 15.131 6.344 1.792 1.00 0.00 H new ATOM 0 HB2 LEU A 601 15.932 4.255 0.749 1.00 0.00 H new ATOM 0 HB3 LEU A 601 17.396 5.063 0.225 1.00 0.00 H new ATOM 0 HG LEU A 601 18.018 5.441 2.605 1.00 0.00 H new ATOM 0 HD11 LEU A 601 16.812 4.198 4.357 1.00 0.00 H new ATOM 0 HD12 LEU A 601 15.775 5.418 3.580 1.00 0.00 H new ATOM 0 HD13 LEU A 601 15.595 3.699 3.158 1.00 0.00 H new ATOM 0 HD21 LEU A 601 18.610 3.099 3.086 1.00 0.00 H new ATOM 0 HD22 LEU A 601 17.461 2.558 1.839 1.00 0.00 H new ATOM 0 HD23 LEU A 601 18.890 3.513 1.378 1.00 0.00 H new ATOM 1569 N LYS A 602 16.559 8.287 2.379 1.00 0.00 N ATOM 1570 CA LYS A 602 17.386 9.421 2.754 1.00 0.00 C ATOM 1571 C LYS A 602 17.603 9.438 4.262 1.00 0.00 C ATOM 1572 O LYS A 602 16.662 9.640 5.027 1.00 0.00 O ATOM 1573 CB LYS A 602 16.736 10.731 2.295 1.00 0.00 C ATOM 1574 CG LYS A 602 17.602 11.957 2.539 1.00 0.00 C ATOM 1575 CD LYS A 602 16.916 13.228 2.073 1.00 0.00 C ATOM 1576 CE LYS A 602 17.817 14.441 2.238 1.00 0.00 C ATOM 1577 NZ LYS A 602 17.161 15.684 1.761 1.00 0.00 N1+ ATOM 0 H LYS A 602 15.729 8.158 2.958 1.00 0.00 H new ATOM 0 HA LYS A 602 18.354 9.324 2.262 1.00 0.00 H new ATOM 0 HB2 LYS A 602 16.510 10.662 1.231 1.00 0.00 H new ATOM 0 HB3 LYS A 602 15.786 10.858 2.815 1.00 0.00 H new ATOM 0 HG2 LYS A 602 17.831 12.035 3.602 1.00 0.00 H new ATOM 0 HG3 LYS A 602 18.551 11.842 2.016 1.00 0.00 H new ATOM 0 HD2 LYS A 602 16.630 13.126 1.026 1.00 0.00 H new ATOM 0 HD3 LYS A 602 15.997 13.376 2.641 1.00 0.00 H new ATOM 0 HE2 LYS A 602 18.087 14.553 3.288 1.00 0.00 H new ATOM 0 HE3 LYS A 602 18.743 14.284 1.685 1.00 0.00 H new ATOM 0 HZ1 LYS A 602 17.807 16.489 1.890 1.00 0.00 H new ATOM 0 HZ2 LYS A 602 16.926 15.587 0.753 1.00 0.00 H new ATOM 0 HZ3 LYS A 602 16.290 15.848 2.306 1.00 0.00 H new ATOM 1591 N ASN A 603 18.846 9.204 4.683 1.00 0.00 N ATOM 1592 CA ASN A 603 19.205 9.209 6.105 1.00 0.00 C ATOM 1593 C ASN A 603 18.397 8.142 6.847 1.00 0.00 C ATOM 1594 O ASN A 603 17.803 8.406 7.892 1.00 0.00 O ATOM 1595 CB ASN A 603 18.973 10.608 6.714 1.00 0.00 C ATOM 1596 CG ASN A 603 19.591 10.780 8.092 1.00 0.00 C ATOM 1597 OD1 ASN A 603 18.951 10.535 9.114 1.00 0.00 O ATOM 1598 ND2 ASN A 603 20.836 11.223 8.132 1.00 0.00 N ATOM 0 H ASN A 603 19.627 9.007 4.057 1.00 0.00 H new ATOM 0 HA ASN A 603 20.264 8.973 6.208 1.00 0.00 H new ATOM 0 HB2 ASN A 603 19.386 11.361 6.043 1.00 0.00 H new ATOM 0 HB3 ASN A 603 17.901 10.794 6.780 1.00 0.00 H new ATOM 0 HD21 ASN A 603 21.296 11.372 9.030 1.00 0.00 H new ATOM 0 HD22 ASN A 603 21.337 11.416 7.265 1.00 0.00 H new ATOM 1605 N ASN A 604 18.362 6.940 6.263 1.00 0.00 N ATOM 1606 CA ASN A 604 17.640 5.789 6.827 1.00 0.00 C ATOM 1607 C ASN A 604 16.123 5.932 6.657 1.00 0.00 C ATOM 1608 O ASN A 604 15.383 4.955 6.764 1.00 0.00 O ATOM 1609 CB ASN A 604 18.010 5.580 8.309 1.00 0.00 C ATOM 1610 CG ASN A 604 17.251 4.437 8.961 1.00 0.00 C ATOM 1611 OD1 ASN A 604 17.648 3.275 8.861 1.00 0.00 O ATOM 1612 ND2 ASN A 604 16.171 4.759 9.658 1.00 0.00 N ATOM 0 H ASN A 604 18.834 6.735 5.383 1.00 0.00 H new ATOM 0 HA ASN A 604 17.949 4.905 6.269 1.00 0.00 H new ATOM 0 HB2 ASN A 604 19.080 5.387 8.386 1.00 0.00 H new ATOM 0 HB3 ASN A 604 17.812 6.500 8.859 1.00 0.00 H new ATOM 0 HD21 ASN A 604 15.637 4.033 10.135 1.00 0.00 H new ATOM 0 HD22 ASN A 604 15.874 5.733 9.717 1.00 0.00 H new ATOM 1619 N VAL A 605 15.664 7.133 6.338 1.00 0.00 N ATOM 1620 CA VAL A 605 14.239 7.379 6.186 1.00 0.00 C ATOM 1621 C VAL A 605 13.774 7.000 4.784 1.00 0.00 C ATOM 1622 O VAL A 605 14.211 7.589 3.795 1.00 0.00 O ATOM 1623 CB VAL A 605 13.884 8.858 6.455 1.00 0.00 C ATOM 1624 CG1 VAL A 605 12.383 9.077 6.337 1.00 0.00 C ATOM 1625 CG2 VAL A 605 14.384 9.286 7.827 1.00 0.00 C ATOM 0 H VAL A 605 16.255 7.949 6.180 1.00 0.00 H new ATOM 0 HA VAL A 605 13.727 6.759 6.922 1.00 0.00 H new ATOM 0 HB VAL A 605 14.379 9.473 5.704 1.00 0.00 H new ATOM 0 HG11 VAL A 605 12.152 10.125 6.530 1.00 0.00 H new ATOM 0 HG12 VAL A 605 12.055 8.812 5.332 1.00 0.00 H new ATOM 0 HG13 VAL A 605 11.866 8.452 7.065 1.00 0.00 H new ATOM 0 HG21 VAL A 605 14.125 10.331 7.999 1.00 0.00 H new ATOM 0 HG22 VAL A 605 13.919 8.666 8.593 1.00 0.00 H new ATOM 0 HG23 VAL A 605 15.467 9.168 7.873 1.00 0.00 H new ATOM 1635 N VAL A 606 12.906 6.003 4.709 1.00 0.00 N ATOM 1636 CA VAL A 606 12.331 5.584 3.438 1.00 0.00 C ATOM 1637 C VAL A 606 11.127 6.456 3.110 1.00 0.00 C ATOM 1638 O VAL A 606 10.319 6.754 3.982 1.00 0.00 O ATOM 1639 CB VAL A 606 11.885 4.101 3.475 1.00 0.00 C ATOM 1640 CG1 VAL A 606 11.378 3.650 2.114 1.00 0.00 C ATOM 1641 CG2 VAL A 606 13.018 3.200 3.944 1.00 0.00 C ATOM 0 H VAL A 606 12.583 5.467 5.515 1.00 0.00 H new ATOM 0 HA VAL A 606 13.100 5.693 2.673 1.00 0.00 H new ATOM 0 HB VAL A 606 11.066 4.021 4.190 1.00 0.00 H new ATOM 0 HG11 VAL A 606 11.071 2.605 2.168 1.00 0.00 H new ATOM 0 HG12 VAL A 606 10.526 4.264 1.821 1.00 0.00 H new ATOM 0 HG13 VAL A 606 12.173 3.757 1.376 1.00 0.00 H new ATOM 0 HG21 VAL A 606 12.677 2.165 3.960 1.00 0.00 H new ATOM 0 HG22 VAL A 606 13.863 3.293 3.262 1.00 0.00 H new ATOM 0 HG23 VAL A 606 13.327 3.496 4.946 1.00 0.00 H new ATOM 1651 N SER A 607 11.028 6.888 1.870 1.00 0.00 N ATOM 1652 CA SER A 607 9.886 7.655 1.419 1.00 0.00 C ATOM 1653 C SER A 607 9.268 7.008 0.193 1.00 0.00 C ATOM 1654 O SER A 607 9.962 6.367 -0.593 1.00 0.00 O ATOM 1655 CB SER A 607 10.297 9.097 1.113 1.00 0.00 C ATOM 1656 OG SER A 607 10.880 9.714 2.250 1.00 0.00 O ATOM 0 H SER A 607 11.731 6.719 1.151 1.00 0.00 H new ATOM 0 HA SER A 607 9.142 7.671 2.216 1.00 0.00 H new ATOM 0 HB2 SER A 607 11.006 9.108 0.285 1.00 0.00 H new ATOM 0 HB3 SER A 607 9.425 9.667 0.793 1.00 0.00 H new ATOM 0 HG SER A 607 11.136 10.634 2.028 1.00 0.00 H new ATOM 1662 N VAL A 608 7.962 7.145 0.061 1.00 0.00 N ATOM 1663 CA VAL A 608 7.255 6.659 -1.101 1.00 0.00 C ATOM 1664 C VAL A 608 6.170 7.651 -1.488 1.00 0.00 C ATOM 1665 O VAL A 608 5.291 7.973 -0.685 1.00 0.00 O ATOM 1666 CB VAL A 608 6.645 5.263 -0.858 1.00 0.00 C ATOM 1667 CG1 VAL A 608 5.732 5.266 0.362 1.00 0.00 C ATOM 1668 CG2 VAL A 608 5.898 4.795 -2.092 1.00 0.00 C ATOM 0 H VAL A 608 7.366 7.595 0.756 1.00 0.00 H new ATOM 0 HA VAL A 608 7.970 6.562 -1.918 1.00 0.00 H new ATOM 0 HB VAL A 608 7.458 4.565 -0.659 1.00 0.00 H new ATOM 0 HG11 VAL A 608 5.317 4.269 0.508 1.00 0.00 H new ATOM 0 HG12 VAL A 608 6.304 5.554 1.244 1.00 0.00 H new ATOM 0 HG13 VAL A 608 4.921 5.978 0.208 1.00 0.00 H new ATOM 0 HG21 VAL A 608 5.472 3.809 -1.907 1.00 0.00 H new ATOM 0 HG22 VAL A 608 5.098 5.498 -2.321 1.00 0.00 H new ATOM 0 HG23 VAL A 608 6.586 4.741 -2.935 1.00 0.00 H new ATOM 1678 N ASN A 609 6.273 8.178 -2.703 1.00 0.00 N ATOM 1679 CA ASN A 609 5.300 9.136 -3.214 1.00 0.00 C ATOM 1680 C ASN A 609 5.324 10.381 -2.330 1.00 0.00 C ATOM 1681 O ASN A 609 4.303 11.034 -2.124 1.00 0.00 O ATOM 1682 CB ASN A 609 3.900 8.501 -3.252 1.00 0.00 C ATOM 1683 CG ASN A 609 3.904 7.151 -3.936 1.00 0.00 C ATOM 1684 OD1 ASN A 609 4.704 6.895 -4.832 1.00 0.00 O ATOM 1685 ND2 ASN A 609 3.017 6.276 -3.502 1.00 0.00 N ATOM 0 H ASN A 609 7.025 7.956 -3.355 1.00 0.00 H new ATOM 0 HA ASN A 609 5.556 9.423 -4.234 1.00 0.00 H new ATOM 0 HB2 ASN A 609 3.525 8.390 -2.234 1.00 0.00 H new ATOM 0 HB3 ASN A 609 3.214 9.169 -3.773 1.00 0.00 H new ATOM 0 HD21 ASN A 609 2.977 5.344 -3.913 1.00 0.00 H new ATOM 0 HD22 ASN A 609 2.371 6.532 -2.755 1.00 0.00 H new ATOM 1692 N LYS A 610 6.525 10.652 -1.792 1.00 0.00 N ATOM 1693 CA LYS A 610 6.824 11.807 -0.937 1.00 0.00 C ATOM 1694 C LYS A 610 6.521 11.503 0.528 1.00 0.00 C ATOM 1695 O LYS A 610 7.130 12.084 1.428 1.00 0.00 O ATOM 1696 CB LYS A 610 6.097 13.084 -1.397 1.00 0.00 C ATOM 1697 CG LYS A 610 6.394 14.301 -0.526 1.00 0.00 C ATOM 1698 CD LYS A 610 7.875 14.659 -0.546 1.00 0.00 C ATOM 1699 CE LYS A 610 8.223 15.683 0.525 1.00 0.00 C ATOM 1700 NZ LYS A 610 8.121 15.117 1.901 1.00 0.00 N1+ ATOM 0 H LYS A 610 7.337 10.054 -1.946 1.00 0.00 H new ATOM 0 HA LYS A 610 7.893 11.999 -1.033 1.00 0.00 H new ATOM 0 HB2 LYS A 610 6.383 13.305 -2.425 1.00 0.00 H new ATOM 0 HB3 LYS A 610 5.023 12.901 -1.397 1.00 0.00 H new ATOM 0 HG2 LYS A 610 5.809 15.151 -0.877 1.00 0.00 H new ATOM 0 HG3 LYS A 610 6.082 14.100 0.499 1.00 0.00 H new ATOM 0 HD2 LYS A 610 8.469 13.758 -0.394 1.00 0.00 H new ATOM 0 HD3 LYS A 610 8.140 15.054 -1.527 1.00 0.00 H new ATOM 0 HE2 LYS A 610 9.236 16.050 0.359 1.00 0.00 H new ATOM 0 HE3 LYS A 610 7.555 16.540 0.436 1.00 0.00 H new ATOM 0 HZ1 LYS A 610 7.430 15.666 2.452 1.00 0.00 H new ATOM 0 HZ2 LYS A 610 7.812 14.126 1.847 1.00 0.00 H new ATOM 0 HZ3 LYS A 610 9.050 15.165 2.366 1.00 0.00 H new ATOM 1714 N GLU A 611 5.628 10.566 0.770 1.00 0.00 N ATOM 1715 CA GLU A 611 5.244 10.243 2.136 1.00 0.00 C ATOM 1716 C GLU A 611 6.237 9.276 2.757 1.00 0.00 C ATOM 1717 O GLU A 611 6.625 8.282 2.138 1.00 0.00 O ATOM 1718 CB GLU A 611 3.825 9.682 2.200 1.00 0.00 C ATOM 1719 CG GLU A 611 2.755 10.734 1.972 1.00 0.00 C ATOM 1720 CD GLU A 611 2.865 11.898 2.943 1.00 0.00 C ATOM 1721 OE1 GLU A 611 2.251 11.833 4.031 1.00 0.00 O1- ATOM 1722 OE2 GLU A 611 3.560 12.887 2.621 1.00 0.00 O ATOM 0 H GLU A 611 5.157 10.018 0.050 1.00 0.00 H new ATOM 0 HA GLU A 611 5.258 11.168 2.713 1.00 0.00 H new ATOM 0 HB2 GLU A 611 3.718 8.896 1.452 1.00 0.00 H new ATOM 0 HB3 GLU A 611 3.668 9.219 3.174 1.00 0.00 H new ATOM 0 HG2 GLU A 611 2.830 11.109 0.951 1.00 0.00 H new ATOM 0 HG3 GLU A 611 1.772 10.274 2.071 1.00 0.00 H new ATOM 1729 N PRO A 612 6.688 9.583 3.982 1.00 0.00 N ATOM 1730 CA PRO A 612 7.686 8.782 4.690 1.00 0.00 C ATOM 1731 C PRO A 612 7.139 7.442 5.168 1.00 0.00 C ATOM 1732 O PRO A 612 6.035 7.358 5.704 1.00 0.00 O ATOM 1733 CB PRO A 612 8.079 9.658 5.893 1.00 0.00 C ATOM 1734 CG PRO A 612 7.498 11.004 5.607 1.00 0.00 C ATOM 1735 CD PRO A 612 6.278 10.752 4.773 1.00 0.00 C ATOM 0 HA PRO A 612 8.523 8.529 4.039 1.00 0.00 H new ATOM 0 HB2 PRO A 612 7.684 9.249 6.823 1.00 0.00 H new ATOM 0 HB3 PRO A 612 9.162 9.712 6.003 1.00 0.00 H new ATOM 0 HG2 PRO A 612 7.240 11.523 6.530 1.00 0.00 H new ATOM 0 HG3 PRO A 612 8.212 11.633 5.076 1.00 0.00 H new ATOM 0 HD2 PRO A 612 5.401 10.544 5.385 1.00 0.00 H new ATOM 0 HD3 PRO A 612 6.031 11.606 4.142 1.00 0.00 H new ATOM 1743 N VAL A 613 7.919 6.398 4.955 1.00 0.00 N ATOM 1744 CA VAL A 613 7.579 5.071 5.426 1.00 0.00 C ATOM 1745 C VAL A 613 8.121 4.886 6.832 1.00 0.00 C ATOM 1746 O VAL A 613 9.262 5.252 7.119 1.00 0.00 O ATOM 1747 CB VAL A 613 8.173 3.975 4.519 1.00 0.00 C ATOM 1748 CG1 VAL A 613 7.679 2.592 4.914 1.00 0.00 C ATOM 1749 CG2 VAL A 613 7.874 4.256 3.056 1.00 0.00 C ATOM 0 H VAL A 613 8.805 6.448 4.451 1.00 0.00 H new ATOM 0 HA VAL A 613 6.493 4.978 5.412 1.00 0.00 H new ATOM 0 HB VAL A 613 9.254 3.991 4.656 1.00 0.00 H new ATOM 0 HG11 VAL A 613 8.119 1.846 4.252 1.00 0.00 H new ATOM 0 HG12 VAL A 613 7.971 2.382 5.943 1.00 0.00 H new ATOM 0 HG13 VAL A 613 6.593 2.556 4.830 1.00 0.00 H new ATOM 0 HG21 VAL A 613 8.304 3.467 2.439 1.00 0.00 H new ATOM 0 HG22 VAL A 613 6.795 4.287 2.905 1.00 0.00 H new ATOM 0 HG23 VAL A 613 8.308 5.215 2.774 1.00 0.00 H new ATOM 1759 N ALA A 614 7.306 4.312 7.690 1.00 0.00 N ATOM 1760 CA ALA A 614 7.675 4.122 9.079 1.00 0.00 C ATOM 1761 C ALA A 614 8.395 2.793 9.267 1.00 0.00 C ATOM 1762 O ALA A 614 9.457 2.736 9.879 1.00 0.00 O ATOM 1763 CB ALA A 614 6.441 4.194 9.966 1.00 0.00 C ATOM 0 H ALA A 614 6.377 3.966 7.449 1.00 0.00 H new ATOM 0 HA ALA A 614 8.357 4.921 9.369 1.00 0.00 H new ATOM 0 HB1 ALA A 614 6.732 4.050 11.007 1.00 0.00 H new ATOM 0 HB2 ALA A 614 5.968 5.170 9.853 1.00 0.00 H new ATOM 0 HB3 ALA A 614 5.737 3.414 9.675 1.00 0.00 H new ATOM 1769 N GLU A 615 7.815 1.729 8.720 1.00 0.00 N ATOM 1770 CA GLU A 615 8.380 0.394 8.866 1.00 0.00 C ATOM 1771 C GLU A 615 8.431 -0.335 7.521 1.00 0.00 C ATOM 1772 O GLU A 615 7.463 -0.977 7.115 1.00 0.00 O ATOM 1773 CB GLU A 615 7.550 -0.419 9.867 1.00 0.00 C ATOM 1774 CG GLU A 615 7.457 0.211 11.249 1.00 0.00 C ATOM 1775 CD GLU A 615 6.437 -0.470 12.136 1.00 0.00 C ATOM 1776 OE1 GLU A 615 6.796 -1.465 12.809 1.00 0.00 O1- ATOM 1777 OE2 GLU A 615 5.275 -0.008 12.170 1.00 0.00 O ATOM 0 H GLU A 615 6.955 1.766 8.172 1.00 0.00 H new ATOM 0 HA GLU A 615 9.400 0.497 9.237 1.00 0.00 H new ATOM 0 HB2 GLU A 615 6.543 -0.548 9.469 1.00 0.00 H new ATOM 0 HB3 GLU A 615 7.985 -1.414 9.961 1.00 0.00 H new ATOM 0 HG2 GLU A 615 8.435 0.169 11.729 1.00 0.00 H new ATOM 0 HG3 GLU A 615 7.197 1.265 11.146 1.00 0.00 H new ATOM 1784 N PRO A 616 9.539 -0.188 6.772 1.00 0.00 N ATOM 1785 CA PRO A 616 9.780 -0.969 5.550 1.00 0.00 C ATOM 1786 C PRO A 616 10.067 -2.450 5.820 1.00 0.00 C ATOM 1787 O PRO A 616 10.426 -2.835 6.937 1.00 0.00 O ATOM 1788 CB PRO A 616 11.036 -0.308 4.963 1.00 0.00 C ATOM 1789 CG PRO A 616 11.726 0.271 6.145 1.00 0.00 C ATOM 1790 CD PRO A 616 10.621 0.792 7.008 1.00 0.00 C ATOM 0 HA PRO A 616 8.905 -0.964 4.900 1.00 0.00 H new ATOM 0 HB2 PRO A 616 11.666 -1.034 4.450 1.00 0.00 H new ATOM 0 HB3 PRO A 616 10.779 0.461 4.235 1.00 0.00 H new ATOM 0 HG2 PRO A 616 12.316 -0.482 6.668 1.00 0.00 H new ATOM 0 HG3 PRO A 616 12.411 1.067 5.854 1.00 0.00 H new ATOM 0 HD2 PRO A 616 10.911 0.831 8.058 1.00 0.00 H new ATOM 0 HD3 PRO A 616 10.324 1.801 6.721 1.00 0.00 H new ATOM 1798 N ASP A 617 9.866 -3.265 4.784 1.00 0.00 N ATOM 1799 CA ASP A 617 10.371 -4.640 4.725 1.00 0.00 C ATOM 1800 C ASP A 617 9.575 -5.616 5.585 1.00 0.00 C ATOM 1801 O ASP A 617 10.141 -6.516 6.202 1.00 0.00 O ATOM 1802 CB ASP A 617 11.853 -4.688 5.103 1.00 0.00 C ATOM 1803 CG ASP A 617 12.636 -5.613 4.197 1.00 0.00 C ATOM 1804 OD1 ASP A 617 13.011 -5.172 3.087 1.00 0.00 O ATOM 1805 OD2 ASP A 617 12.880 -6.771 4.582 1.00 0.00 O1- ATOM 0 H ASP A 617 9.343 -2.988 3.953 1.00 0.00 H new ATOM 0 HA ASP A 617 10.247 -4.964 3.692 1.00 0.00 H new ATOM 0 HB2 ASP A 617 12.274 -3.684 5.049 1.00 0.00 H new ATOM 0 HB3 ASP A 617 11.954 -5.021 6.136 1.00 0.00 H new ATOM 1810 N ILE A 618 8.264 -5.462 5.616 1.00 0.00 N ATOM 1811 CA ILE A 618 7.414 -6.499 6.167 1.00 0.00 C ATOM 1812 C ILE A 618 7.090 -7.481 5.052 1.00 0.00 C ATOM 1813 O ILE A 618 6.094 -7.334 4.345 1.00 0.00 O ATOM 1814 CB ILE A 618 6.116 -5.936 6.774 1.00 0.00 C ATOM 1815 CG1 ILE A 618 6.447 -4.835 7.784 1.00 0.00 C ATOM 1816 CG2 ILE A 618 5.310 -7.049 7.436 1.00 0.00 C ATOM 1817 CD1 ILE A 618 5.226 -4.232 8.441 1.00 0.00 C ATOM 0 H ILE A 618 7.770 -4.639 5.271 1.00 0.00 H new ATOM 0 HA ILE A 618 7.946 -6.992 6.981 1.00 0.00 H new ATOM 0 HB ILE A 618 5.510 -5.507 5.976 1.00 0.00 H new ATOM 0 HG12 ILE A 618 7.100 -5.245 8.555 1.00 0.00 H new ATOM 0 HG13 ILE A 618 7.005 -4.046 7.280 1.00 0.00 H new ATOM 0 HG21 ILE A 618 4.396 -6.633 7.860 1.00 0.00 H new ATOM 0 HG22 ILE A 618 5.055 -7.805 6.693 1.00 0.00 H new ATOM 0 HG23 ILE A 618 5.903 -7.505 8.229 1.00 0.00 H new ATOM 0 HD11 ILE A 618 5.536 -3.459 9.144 1.00 0.00 H new ATOM 0 HD12 ILE A 618 4.582 -3.792 7.679 1.00 0.00 H new ATOM 0 HD13 ILE A 618 4.678 -5.009 8.974 1.00 0.00 H new ATOM 1829 N MET A 619 7.975 -8.444 4.854 1.00 0.00 N ATOM 1830 CA MET A 619 7.894 -9.321 3.699 1.00 0.00 C ATOM 1831 C MET A 619 6.883 -10.443 3.883 1.00 0.00 C ATOM 1832 O MET A 619 6.890 -11.162 4.884 1.00 0.00 O ATOM 1833 CB MET A 619 9.265 -9.909 3.363 1.00 0.00 C ATOM 1834 CG MET A 619 10.298 -8.863 2.979 1.00 0.00 C ATOM 1835 SD MET A 619 11.738 -9.587 2.172 1.00 0.00 S ATOM 1836 CE MET A 619 10.970 -10.315 0.727 1.00 0.00 C ATOM 0 H MET A 619 8.758 -8.638 5.479 1.00 0.00 H new ATOM 0 HA MET A 619 7.551 -8.703 2.869 1.00 0.00 H new ATOM 0 HB2 MET A 619 9.631 -10.470 4.223 1.00 0.00 H new ATOM 0 HB3 MET A 619 9.156 -10.618 2.542 1.00 0.00 H new ATOM 0 HG2 MET A 619 9.841 -8.131 2.313 1.00 0.00 H new ATOM 0 HG3 MET A 619 10.617 -8.326 3.872 1.00 0.00 H new ATOM 0 HE1 MET A 619 11.603 -10.148 -0.145 1.00 0.00 H new ATOM 0 HE2 MET A 619 10.843 -11.386 0.883 1.00 0.00 H new ATOM 0 HE3 MET A 619 9.996 -9.854 0.562 1.00 0.00 H new ATOM 1846 N ALA A 620 6.023 -10.577 2.892 1.00 0.00 N ATOM 1847 CA ALA A 620 5.065 -11.661 2.829 1.00 0.00 C ATOM 1848 C ALA A 620 5.589 -12.735 1.892 1.00 0.00 C ATOM 1849 O ALA A 620 6.738 -12.668 1.451 1.00 0.00 O ATOM 1850 CB ALA A 620 3.727 -11.142 2.339 1.00 0.00 C ATOM 0 H ALA A 620 5.970 -9.932 2.104 1.00 0.00 H new ATOM 0 HA ALA A 620 4.927 -12.086 3.823 1.00 0.00 H new ATOM 0 HB1 ALA A 620 3.012 -11.964 2.295 1.00 0.00 H new ATOM 0 HB2 ALA A 620 3.360 -10.378 3.025 1.00 0.00 H new ATOM 0 HB3 ALA A 620 3.846 -10.710 1.345 1.00 0.00 H new ATOM 1856 N THR A 621 4.762 -13.719 1.581 1.00 0.00 N ATOM 1857 CA THR A 621 5.171 -14.759 0.663 1.00 0.00 C ATOM 1858 C THR A 621 5.198 -14.230 -0.764 1.00 0.00 C ATOM 1859 O THR A 621 6.109 -14.535 -1.536 1.00 0.00 O ATOM 1860 CB THR A 621 4.246 -15.990 0.742 1.00 0.00 C ATOM 1861 OG1 THR A 621 2.916 -15.633 0.354 1.00 0.00 O ATOM 1862 CG2 THR A 621 4.227 -16.566 2.150 1.00 0.00 C ATOM 0 H THR A 621 3.815 -13.816 1.948 1.00 0.00 H new ATOM 0 HA THR A 621 6.174 -15.070 0.955 1.00 0.00 H new ATOM 0 HB THR A 621 4.633 -16.747 0.060 1.00 0.00 H new ATOM 0 HG1 THR A 621 2.763 -15.903 -0.576 1.00 0.00 H new ATOM 0 HG21 THR A 621 3.567 -17.433 2.179 1.00 0.00 H new ATOM 0 HG22 THR A 621 5.235 -16.867 2.433 1.00 0.00 H new ATOM 0 HG23 THR A 621 3.865 -15.811 2.847 1.00 0.00 H new ATOM 1870 N ASN A 622 4.223 -13.392 -1.086 1.00 0.00 N ATOM 1871 CA ASN A 622 4.034 -12.919 -2.451 1.00 0.00 C ATOM 1872 C ASN A 622 4.622 -11.532 -2.673 1.00 0.00 C ATOM 1873 O ASN A 622 4.448 -10.946 -3.739 1.00 0.00 O ATOM 1874 CB ASN A 622 2.543 -12.906 -2.800 1.00 0.00 C ATOM 1875 CG ASN A 622 1.738 -11.936 -1.947 1.00 0.00 C ATOM 1876 OD1 ASN A 622 2.082 -11.655 -0.799 1.00 0.00 O ATOM 1877 ND2 ASN A 622 0.650 -11.429 -2.495 1.00 0.00 N ATOM 0 H ASN A 622 3.547 -13.024 -0.417 1.00 0.00 H new ATOM 0 HA ASN A 622 4.566 -13.610 -3.105 1.00 0.00 H new ATOM 0 HB2 ASN A 622 2.424 -12.641 -3.851 1.00 0.00 H new ATOM 0 HB3 ASN A 622 2.138 -13.911 -2.677 1.00 0.00 H new ATOM 0 HD21 ASN A 622 0.065 -10.783 -1.965 1.00 0.00 H new ATOM 0 HD22 ASN A 622 0.394 -11.683 -3.449 1.00 0.00 H new ATOM 1884 N GLY A 623 5.316 -10.997 -1.682 1.00 0.00 N ATOM 1885 CA GLY A 623 5.921 -9.692 -1.849 1.00 0.00 C ATOM 1886 C GLY A 623 6.344 -9.062 -0.545 1.00 0.00 C ATOM 1887 O GLY A 623 6.638 -9.757 0.422 1.00 0.00 O ATOM 0 H GLY A 623 5.471 -11.436 -0.774 1.00 0.00 H new ATOM 0 HA2 GLY A 623 6.790 -9.782 -2.500 1.00 0.00 H new ATOM 0 HA3 GLY A 623 5.214 -9.032 -2.351 1.00 0.00 H new ATOM 1891 N VAL A 624 6.369 -7.741 -0.518 1.00 0.00 N ATOM 1892 CA VAL A 624 6.820 -7.009 0.652 1.00 0.00 C ATOM 1893 C VAL A 624 5.866 -5.855 0.969 1.00 0.00 C ATOM 1894 O VAL A 624 5.281 -5.252 0.065 1.00 0.00 O ATOM 1895 CB VAL A 624 8.261 -6.478 0.456 1.00 0.00 C ATOM 1896 CG1 VAL A 624 8.344 -5.538 -0.737 1.00 0.00 C ATOM 1897 CG2 VAL A 624 8.774 -5.807 1.721 1.00 0.00 C ATOM 0 H VAL A 624 6.080 -7.151 -1.298 1.00 0.00 H new ATOM 0 HA VAL A 624 6.824 -7.699 1.496 1.00 0.00 H new ATOM 0 HB VAL A 624 8.904 -7.333 0.248 1.00 0.00 H new ATOM 0 HG11 VAL A 624 9.368 -5.182 -0.849 1.00 0.00 H new ATOM 0 HG12 VAL A 624 8.044 -6.069 -1.640 1.00 0.00 H new ATOM 0 HG13 VAL A 624 7.680 -4.689 -0.578 1.00 0.00 H new ATOM 0 HG21 VAL A 624 9.788 -5.444 1.555 1.00 0.00 H new ATOM 0 HG22 VAL A 624 8.126 -4.969 1.977 1.00 0.00 H new ATOM 0 HG23 VAL A 624 8.776 -6.527 2.539 1.00 0.00 H new ATOM 1907 N VAL A 625 5.682 -5.590 2.257 1.00 0.00 N ATOM 1908 CA VAL A 625 4.833 -4.499 2.717 1.00 0.00 C ATOM 1909 C VAL A 625 5.657 -3.450 3.460 1.00 0.00 C ATOM 1910 O VAL A 625 6.580 -3.779 4.209 1.00 0.00 O ATOM 1911 CB VAL A 625 3.706 -5.028 3.636 1.00 0.00 C ATOM 1912 CG1 VAL A 625 2.969 -3.894 4.340 1.00 0.00 C ATOM 1913 CG2 VAL A 625 2.730 -5.862 2.830 1.00 0.00 C ATOM 0 H VAL A 625 6.116 -6.124 3.010 1.00 0.00 H new ATOM 0 HA VAL A 625 4.381 -4.036 1.840 1.00 0.00 H new ATOM 0 HB VAL A 625 4.168 -5.648 4.405 1.00 0.00 H new ATOM 0 HG11 VAL A 625 2.186 -4.308 4.975 1.00 0.00 H new ATOM 0 HG12 VAL A 625 3.671 -3.328 4.952 1.00 0.00 H new ATOM 0 HG13 VAL A 625 2.522 -3.234 3.597 1.00 0.00 H new ATOM 0 HG21 VAL A 625 1.940 -6.231 3.484 1.00 0.00 H new ATOM 0 HG22 VAL A 625 2.292 -5.249 2.042 1.00 0.00 H new ATOM 0 HG23 VAL A 625 3.255 -6.707 2.384 1.00 0.00 H new ATOM 1923 N HIS A 626 5.327 -2.190 3.231 1.00 0.00 N ATOM 1924 CA HIS A 626 5.997 -1.084 3.902 1.00 0.00 C ATOM 1925 C HIS A 626 4.955 -0.186 4.562 1.00 0.00 C ATOM 1926 O HIS A 626 4.016 0.265 3.907 1.00 0.00 O ATOM 1927 CB HIS A 626 6.843 -0.272 2.912 1.00 0.00 C ATOM 1928 CG HIS A 626 7.798 -1.090 2.082 1.00 0.00 C ATOM 1929 ND1 HIS A 626 9.126 -1.298 2.396 1.00 0.00 N ATOM 1930 CD2 HIS A 626 7.579 -1.770 0.928 1.00 0.00 C ATOM 1931 CE1 HIS A 626 9.659 -2.083 1.446 1.00 0.00 C ATOM 1932 NE2 HIS A 626 8.762 -2.394 0.535 1.00 0.00 N ATOM 0 H HIS A 626 4.594 -1.904 2.581 1.00 0.00 H new ATOM 0 HA HIS A 626 6.665 -1.489 4.662 1.00 0.00 H new ATOM 0 HB2 HIS A 626 6.175 0.270 2.243 1.00 0.00 H new ATOM 0 HB3 HIS A 626 7.412 0.473 3.467 1.00 0.00 H new ATOM 0 HD2 HIS A 626 6.639 -1.820 0.399 1.00 0.00 H new ATOM 0 HE1 HIS A 626 10.687 -2.415 1.432 1.00 0.00 H new ATOM 0 HE2 HIS A 626 8.904 -2.974 -0.292 1.00 0.00 H new ATOM 1940 N VAL A 627 5.125 0.062 5.854 1.00 0.00 N ATOM 1941 CA VAL A 627 4.137 0.804 6.639 1.00 0.00 C ATOM 1942 C VAL A 627 4.197 2.308 6.384 1.00 0.00 C ATOM 1943 O VAL A 627 5.207 2.954 6.653 1.00 0.00 O ATOM 1944 CB VAL A 627 4.333 0.565 8.150 1.00 0.00 C ATOM 1945 CG1 VAL A 627 3.313 1.348 8.963 1.00 0.00 C ATOM 1946 CG2 VAL A 627 4.251 -0.911 8.482 1.00 0.00 C ATOM 0 H VAL A 627 5.941 -0.240 6.386 1.00 0.00 H new ATOM 0 HA VAL A 627 3.164 0.430 6.319 1.00 0.00 H new ATOM 0 HB VAL A 627 5.329 0.921 8.414 1.00 0.00 H new ATOM 0 HG11 VAL A 627 3.474 1.162 10.025 1.00 0.00 H new ATOM 0 HG12 VAL A 627 3.426 2.413 8.760 1.00 0.00 H new ATOM 0 HG13 VAL A 627 2.307 1.031 8.687 1.00 0.00 H new ATOM 0 HG21 VAL A 627 4.393 -1.051 9.554 1.00 0.00 H new ATOM 0 HG22 VAL A 627 3.273 -1.295 8.192 1.00 0.00 H new ATOM 0 HG23 VAL A 627 5.028 -1.450 7.940 1.00 0.00 H new ATOM 1956 N ILE A 628 3.103 2.859 5.886 1.00 0.00 N ATOM 1957 CA ILE A 628 2.954 4.301 5.762 1.00 0.00 C ATOM 1958 C ILE A 628 1.805 4.782 6.624 1.00 0.00 C ATOM 1959 O ILE A 628 0.830 4.065 6.834 1.00 0.00 O ATOM 1960 CB ILE A 628 2.699 4.765 4.313 1.00 0.00 C ATOM 1961 CG1 ILE A 628 2.138 3.623 3.460 1.00 0.00 C ATOM 1962 CG2 ILE A 628 3.968 5.341 3.709 1.00 0.00 C ATOM 1963 CD1 ILE A 628 1.606 4.072 2.117 1.00 0.00 C ATOM 0 H ILE A 628 2.298 2.325 5.558 1.00 0.00 H new ATOM 0 HA ILE A 628 3.900 4.731 6.090 1.00 0.00 H new ATOM 0 HB ILE A 628 1.948 5.555 4.331 1.00 0.00 H new ATOM 0 HG12 ILE A 628 2.921 2.881 3.301 1.00 0.00 H new ATOM 0 HG13 ILE A 628 1.338 3.129 4.011 1.00 0.00 H new ATOM 0 HG21 ILE A 628 3.771 5.663 2.687 1.00 0.00 H new ATOM 0 HG22 ILE A 628 4.298 6.194 4.301 1.00 0.00 H new ATOM 0 HG23 ILE A 628 4.747 4.579 3.705 1.00 0.00 H new ATOM 0 HD11 ILE A 628 1.226 3.210 1.569 1.00 0.00 H new ATOM 0 HD12 ILE A 628 0.800 4.791 2.267 1.00 0.00 H new ATOM 0 HD13 ILE A 628 2.408 4.540 1.546 1.00 0.00 H new ATOM 1975 N THR A 629 1.918 5.997 7.117 1.00 0.00 N ATOM 1976 CA THR A 629 0.876 6.571 7.939 1.00 0.00 C ATOM 1977 C THR A 629 -0.008 7.500 7.115 1.00 0.00 C ATOM 1978 O THR A 629 -0.770 8.298 7.664 1.00 0.00 O ATOM 1979 CB THR A 629 1.479 7.340 9.130 1.00 0.00 C ATOM 1980 OG1 THR A 629 2.447 8.288 8.666 1.00 0.00 O ATOM 1981 CG2 THR A 629 2.137 6.385 10.113 1.00 0.00 C ATOM 0 H THR A 629 2.722 6.606 6.962 1.00 0.00 H new ATOM 0 HA THR A 629 0.265 5.754 8.324 1.00 0.00 H new ATOM 0 HB THR A 629 0.670 7.865 9.638 1.00 0.00 H new ATOM 0 HG1 THR A 629 2.823 8.773 9.430 1.00 0.00 H new ATOM 0 HG21 THR A 629 2.556 6.951 10.945 1.00 0.00 H new ATOM 0 HG22 THR A 629 1.394 5.682 10.489 1.00 0.00 H new ATOM 0 HG23 THR A 629 2.934 5.837 9.610 1.00 0.00 H new ATOM 1989 N ASN A 630 0.094 7.389 5.790 1.00 0.00 N ATOM 1990 CA ASN A 630 -0.763 8.164 4.896 1.00 0.00 C ATOM 1991 C ASN A 630 -1.236 7.299 3.729 1.00 0.00 C ATOM 1992 O ASN A 630 -0.600 6.301 3.388 1.00 0.00 O ATOM 1993 CB ASN A 630 -0.016 9.383 4.352 1.00 0.00 C ATOM 1994 CG ASN A 630 -0.949 10.512 3.950 1.00 0.00 C ATOM 1995 OD1 ASN A 630 -2.138 10.299 3.709 1.00 0.00 O ATOM 1996 ND2 ASN A 630 -0.414 11.719 3.850 1.00 0.00 N ATOM 0 H ASN A 630 0.756 6.775 5.316 1.00 0.00 H new ATOM 0 HA ASN A 630 -1.627 8.502 5.469 1.00 0.00 H new ATOM 0 HB2 ASN A 630 0.680 9.745 5.109 1.00 0.00 H new ATOM 0 HB3 ASN A 630 0.579 9.084 3.489 1.00 0.00 H new ATOM 0 HD21 ASN A 630 -0.991 12.511 3.565 1.00 0.00 H new ATOM 0 HD22 ASN A 630 0.575 11.857 4.058 1.00 0.00 H new ATOM 2003 N VAL A 631 -2.360 7.676 3.135 1.00 0.00 N ATOM 2004 CA VAL A 631 -2.859 7.015 1.949 1.00 0.00 C ATOM 2005 C VAL A 631 -2.450 7.840 0.730 1.00 0.00 C ATOM 2006 O VAL A 631 -2.140 9.022 0.855 1.00 0.00 O ATOM 2007 CB VAL A 631 -4.396 6.835 1.996 1.00 0.00 C ATOM 2008 CG1 VAL A 631 -4.884 6.019 0.813 1.00 0.00 C ATOM 2009 CG2 VAL A 631 -4.829 6.176 3.296 1.00 0.00 C ATOM 0 H VAL A 631 -2.945 8.445 3.463 1.00 0.00 H new ATOM 0 HA VAL A 631 -2.428 6.016 1.890 1.00 0.00 H new ATOM 0 HB VAL A 631 -4.844 7.827 1.944 1.00 0.00 H new ATOM 0 HG11 VAL A 631 -5.967 5.907 0.870 1.00 0.00 H new ATOM 0 HG12 VAL A 631 -4.620 6.528 -0.114 1.00 0.00 H new ATOM 0 HG13 VAL A 631 -4.416 5.035 0.832 1.00 0.00 H new ATOM 0 HG21 VAL A 631 -5.913 6.062 3.303 1.00 0.00 H new ATOM 0 HG22 VAL A 631 -4.360 5.196 3.381 1.00 0.00 H new ATOM 0 HG23 VAL A 631 -4.525 6.798 4.138 1.00 0.00 H new ATOM 2019 N LEU A 632 -2.461 7.230 -0.439 1.00 0.00 N ATOM 2020 CA LEU A 632 -1.833 7.828 -1.600 1.00 0.00 C ATOM 2021 C LEU A 632 -2.788 7.844 -2.774 1.00 0.00 C ATOM 2022 O LEU A 632 -3.123 6.798 -3.319 1.00 0.00 O ATOM 2023 CB LEU A 632 -0.580 7.036 -1.956 1.00 0.00 C ATOM 2024 CG LEU A 632 0.387 6.825 -0.789 1.00 0.00 C ATOM 2025 CD1 LEU A 632 1.367 5.706 -1.090 1.00 0.00 C ATOM 2026 CD2 LEU A 632 1.121 8.117 -0.476 1.00 0.00 C ATOM 0 H LEU A 632 -2.896 6.324 -0.610 1.00 0.00 H new ATOM 0 HA LEU A 632 -1.562 8.858 -1.368 1.00 0.00 H new ATOM 0 HB2 LEU A 632 -0.879 6.063 -2.345 1.00 0.00 H new ATOM 0 HB3 LEU A 632 -0.054 7.553 -2.759 1.00 0.00 H new ATOM 0 HG LEU A 632 -0.191 6.533 0.088 1.00 0.00 H new ATOM 0 HD11 LEU A 632 2.043 5.577 -0.245 1.00 0.00 H new ATOM 0 HD12 LEU A 632 0.820 4.779 -1.262 1.00 0.00 H new ATOM 0 HD13 LEU A 632 1.944 5.957 -1.980 1.00 0.00 H new ATOM 0 HD21 LEU A 632 1.806 7.954 0.356 1.00 0.00 H new ATOM 0 HD22 LEU A 632 1.684 8.437 -1.353 1.00 0.00 H new ATOM 0 HD23 LEU A 632 0.400 8.889 -0.207 1.00 0.00 H new ATOM 2038 N GLN A 633 -3.220 9.024 -3.158 1.00 0.00 N ATOM 2039 CA GLN A 633 -4.193 9.159 -4.226 1.00 0.00 C ATOM 2040 C GLN A 633 -3.505 9.471 -5.549 1.00 0.00 C ATOM 2041 O GLN A 633 -2.607 10.310 -5.617 1.00 0.00 O ATOM 2042 CB GLN A 633 -5.250 10.231 -3.893 1.00 0.00 C ATOM 2043 CG GLN A 633 -4.753 11.672 -3.950 1.00 0.00 C ATOM 2044 CD GLN A 633 -3.704 11.995 -2.905 1.00 0.00 C ATOM 2045 OE1 GLN A 633 -3.682 11.417 -1.819 1.00 0.00 O ATOM 2046 NE2 GLN A 633 -2.829 12.926 -3.230 1.00 0.00 N ATOM 0 H GLN A 633 -2.914 9.907 -2.748 1.00 0.00 H new ATOM 0 HA GLN A 633 -4.710 8.204 -4.325 1.00 0.00 H new ATOM 0 HB2 GLN A 633 -6.084 10.123 -4.586 1.00 0.00 H new ATOM 0 HB3 GLN A 633 -5.639 10.037 -2.893 1.00 0.00 H new ATOM 0 HG2 GLN A 633 -4.339 11.866 -4.940 1.00 0.00 H new ATOM 0 HG3 GLN A 633 -5.601 12.345 -3.822 1.00 0.00 H new ATOM 0 HE21 GLN A 633 -2.883 13.381 -4.141 1.00 0.00 H new ATOM 0 HE22 GLN A 633 -2.098 13.192 -2.570 1.00 0.00 H new ATOM 2055 N ALA A 634 -3.924 8.770 -6.583 1.00 0.00 N ATOM 2056 CA ALA A 634 -3.417 8.982 -7.924 1.00 0.00 C ATOM 2057 C ALA A 634 -4.571 8.881 -8.905 1.00 0.00 C ATOM 2058 O ALA A 634 -5.261 7.841 -8.885 1.00 0.00 O ATOM 2059 CB ALA A 634 -2.324 7.971 -8.264 1.00 0.00 C ATOM 2060 OXT ALA A 634 -4.794 9.836 -9.672 1.00 0.00 O1- ATOM 0 H ALA A 634 -4.628 8.035 -6.517 1.00 0.00 H new ATOM 0 HA ALA A 634 -2.970 9.974 -7.988 1.00 0.00 H new ATOM 0 HB1 ALA A 634 -1.962 8.153 -9.276 1.00 0.00 H new ATOM 0 HB2 ALA A 634 -1.499 8.076 -7.559 1.00 0.00 H new ATOM 0 HB3 ALA A 634 -2.730 6.961 -8.200 1.00 0.00 H new TER 2066 ALA A 634