USER MOD reduce.3.24.130724 H: found=0, std=0, add=1048, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 1049 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 600 SER OG : rot 180:sc= 0.47 USER MOD Set 1.2: A 607 SER OG : rot 67:sc= 0.515 USER MOD Set 2.1: A 571 TYR OH : rot -7:sc= 1.46 USER MOD Set 2.2: A 609 ASN : amide:sc= -7.39! C(o=-5.9!,f=-7.3!) USER MOD Set 3.1: A 506 MET CE :methyl -124:sc= 0 (180deg=-0.151) USER MOD Set 3.2: A 528 THR OG1 : rot 180:sc= 0 USER MOD Single : A 502 MET CE :methyl -145:sc= -0.0816 (180deg=-0.484) USER MOD Single : A 504 THR OG1 : rot 150:sc= 0.118 USER MOD Single : A 510 LYS NZ :NH3+ 171:sc=-0.00731 (180deg=-0.0857) USER MOD Single : A 513 ASN : amide:sc= 0 X(o=0,f=-0.019) USER MOD Single : A 516 SER OG : rot 13:sc= 0.764 USER MOD Single : A 517 MET CE :methyl -136:sc= -1.27 (180deg=-3.18!) USER MOD Single : A 523 GLN :FLIP amide:sc= -0.467 F(o=-1.3,f=-0.47) USER MOD Single : A 524 SER OG : rot 70:sc= 0.269 USER MOD Single : A 530 THR OG1 : rot 180:sc= 0 USER MOD Single : A 532 ASN :FLIP amide:sc= 0.518 F(o=-0.0027,f=0.52) USER MOD Single : A 537 TYR OH : rot 165:sc= 0 USER MOD Single : A 538 THR OG1 : rot 103:sc= 1.62 USER MOD Single : A 543 THR OG1 : rot 180:sc= 0 USER MOD Single : A 544 ASN : amide:sc= -0.579 X(o=-0.58,f=-0.11) USER MOD Single : A 556 SER OG : rot 180:sc= 0 USER MOD Single : A 563 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 567 ASN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 570 LYS NZ :NH3+ -139:sc= 0 (180deg=-0.179) USER MOD Single : A 572 HIS :FLIP no HD1:sc= -3.09 F(o=-6.8!,f=-3.1) USER MOD Single : A 580 SER OG : rot 180:sc= 0 USER MOD Single : A 590 LYS NZ :NH3+ 138:sc= 1.29 (180deg=0.753) USER MOD Single : A 591 SER OG : rot -66:sc= -0.296 USER MOD Single : A 593 GLN : amide:sc= -2.3! C(o=-2.3!,f=-8.2!) USER MOD Single : A 596 LYS NZ :NH3+ -164:sc= -0.236 (180deg=-0.606) USER MOD Single : A 602 LYS NZ :NH3+ -163:sc= -0.0186 (180deg=-0.187) USER MOD Single : A 603 ASN : amide:sc= -0.255 K(o=-0.25,f=-1.2) USER MOD Single : A 604 ASN : amide:sc= -0.128 K(o=-0.13,f=-0.81) USER MOD Single : A 610 LYS NZ :NH3+ -169:sc= 1.12 (180deg=0.927) USER MOD Single : A 619 MET CE :methyl 154:sc= -0.327 (180deg=-1.1) USER MOD Single : A 621 THR OG1 : rot -37:sc= 0.117 USER MOD Single : A 622 ASN : amide:sc= -5.53! C(o=-5.5!,f=-15!) USER MOD Single : A 626 HIS : no HD1:sc= 0.0067 K(o=0.0067,f=-6.8!) USER MOD Single : A 629 THR OG1 : rot 180:sc= 0.00409 USER MOD Single : A 630 ASN : amide:sc= 1.23 K(o=1.2,f=-6.1!) USER MOD Single : A 633 GLN : amide:sc= 1.19 K(o=1.2,f=-0.65) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 500 2.178 -17.103 13.867 1.00 0.00 N ATOM 2 CA ALA A 500 2.155 -18.401 13.153 1.00 0.00 C ATOM 3 C ALA A 500 1.411 -18.280 11.826 1.00 0.00 C ATOM 4 O ALA A 500 1.654 -19.053 10.898 1.00 0.00 O ATOM 5 CB ALA A 500 1.519 -19.478 14.019 1.00 0.00 C ATOM 0 HA ALA A 500 3.185 -18.687 12.943 1.00 0.00 H new ATOM 0 HB1 ALA A 500 1.512 -20.424 13.477 1.00 0.00 H new ATOM 0 HB2 ALA A 500 2.093 -19.592 14.939 1.00 0.00 H new ATOM 0 HB3 ALA A 500 0.496 -19.192 14.263 1.00 0.00 H new ATOM 13 N GLY A 501 0.502 -17.312 11.742 1.00 0.00 N ATOM 14 CA GLY A 501 -0.236 -17.087 10.513 1.00 0.00 C ATOM 15 C GLY A 501 0.610 -16.416 9.447 1.00 0.00 C ATOM 16 O GLY A 501 0.540 -15.204 9.255 1.00 0.00 O ATOM 0 H GLY A 501 0.264 -16.679 12.505 1.00 0.00 H new ATOM 0 HA2 GLY A 501 -0.605 -18.040 10.134 1.00 0.00 H new ATOM 0 HA3 GLY A 501 -1.108 -16.468 10.724 1.00 0.00 H new ATOM 20 N MET A 502 1.424 -17.205 8.767 1.00 0.00 N ATOM 21 CA MET A 502 2.271 -16.692 7.703 1.00 0.00 C ATOM 22 C MET A 502 1.506 -16.675 6.382 1.00 0.00 C ATOM 23 O MET A 502 1.485 -17.656 5.638 1.00 0.00 O ATOM 24 CB MET A 502 3.562 -17.519 7.592 1.00 0.00 C ATOM 25 CG MET A 502 3.340 -19.020 7.437 1.00 0.00 C ATOM 26 SD MET A 502 4.877 -19.965 7.528 1.00 0.00 S ATOM 27 CE MET A 502 5.805 -19.246 6.173 1.00 0.00 C ATOM 0 H MET A 502 1.517 -18.207 8.933 1.00 0.00 H new ATOM 0 HA MET A 502 2.555 -15.667 7.942 1.00 0.00 H new ATOM 0 HB2 MET A 502 4.137 -17.159 6.738 1.00 0.00 H new ATOM 0 HB3 MET A 502 4.168 -17.344 8.481 1.00 0.00 H new ATOM 0 HG2 MET A 502 2.660 -19.365 8.216 1.00 0.00 H new ATOM 0 HG3 MET A 502 2.855 -19.215 6.481 1.00 0.00 H new ATOM 0 HE1 MET A 502 6.412 -20.017 5.698 1.00 0.00 H new ATOM 0 HE2 MET A 502 5.115 -18.826 5.441 1.00 0.00 H new ATOM 0 HE3 MET A 502 6.453 -18.457 6.554 1.00 0.00 H new ATOM 37 N GLY A 503 0.838 -15.561 6.118 1.00 0.00 N ATOM 38 CA GLY A 503 0.042 -15.446 4.916 1.00 0.00 C ATOM 39 C GLY A 503 0.715 -14.614 3.856 1.00 0.00 C ATOM 40 O GLY A 503 1.932 -14.413 3.877 1.00 0.00 O ATOM 0 H GLY A 503 0.834 -14.735 6.716 1.00 0.00 H new ATOM 0 HA2 GLY A 503 -0.158 -16.442 4.520 1.00 0.00 H new ATOM 0 HA3 GLY A 503 -0.922 -15.002 5.164 1.00 0.00 H new ATOM 44 N THR A 504 -0.079 -14.132 2.924 1.00 0.00 N ATOM 45 CA THR A 504 0.411 -13.241 1.901 1.00 0.00 C ATOM 46 C THR A 504 0.378 -11.809 2.414 1.00 0.00 C ATOM 47 O THR A 504 0.119 -11.576 3.594 1.00 0.00 O ATOM 48 CB THR A 504 -0.451 -13.325 0.632 1.00 0.00 C ATOM 49 OG1 THR A 504 -1.801 -12.955 0.946 1.00 0.00 O ATOM 50 CG2 THR A 504 -0.434 -14.728 0.039 1.00 0.00 C ATOM 0 H THR A 504 -1.074 -14.346 2.856 1.00 0.00 H new ATOM 0 HA THR A 504 1.431 -13.538 1.657 1.00 0.00 H new ATOM 0 HB THR A 504 -0.035 -12.639 -0.107 1.00 0.00 H new ATOM 0 HG1 THR A 504 -2.219 -12.546 0.160 1.00 0.00 H new ATOM 0 HG21 THR A 504 -1.054 -14.752 -0.857 1.00 0.00 H new ATOM 0 HG22 THR A 504 0.589 -15.001 -0.220 1.00 0.00 H new ATOM 0 HG23 THR A 504 -0.825 -15.436 0.769 1.00 0.00 H new ATOM 58 N VAL A 505 0.655 -10.863 1.527 1.00 0.00 N ATOM 59 CA VAL A 505 0.473 -9.450 1.805 1.00 0.00 C ATOM 60 C VAL A 505 -0.889 -9.183 2.445 1.00 0.00 C ATOM 61 O VAL A 505 -1.010 -8.363 3.344 1.00 0.00 O ATOM 62 CB VAL A 505 0.573 -8.635 0.503 1.00 0.00 C ATOM 63 CG1 VAL A 505 1.999 -8.536 -0.002 1.00 0.00 C ATOM 64 CG2 VAL A 505 -0.306 -9.239 -0.574 1.00 0.00 C ATOM 0 H VAL A 505 1.013 -11.057 0.592 1.00 0.00 H new ATOM 0 HA VAL A 505 1.258 -9.148 2.498 1.00 0.00 H new ATOM 0 HB VAL A 505 0.228 -7.627 0.734 1.00 0.00 H new ATOM 0 HG11 VAL A 505 2.019 -7.952 -0.922 1.00 0.00 H new ATOM 0 HG12 VAL A 505 2.619 -8.049 0.751 1.00 0.00 H new ATOM 0 HG13 VAL A 505 2.386 -9.536 -0.198 1.00 0.00 H new ATOM 0 HG21 VAL A 505 -0.221 -8.649 -1.486 1.00 0.00 H new ATOM 0 HG22 VAL A 505 0.013 -10.262 -0.773 1.00 0.00 H new ATOM 0 HG23 VAL A 505 -1.343 -9.241 -0.238 1.00 0.00 H new ATOM 74 N MET A 506 -1.901 -9.908 1.981 1.00 0.00 N ATOM 75 CA MET A 506 -3.261 -9.755 2.482 1.00 0.00 C ATOM 76 C MET A 506 -3.329 -10.147 3.958 1.00 0.00 C ATOM 77 O MET A 506 -3.915 -9.434 4.771 1.00 0.00 O ATOM 78 CB MET A 506 -4.217 -10.622 1.655 1.00 0.00 C ATOM 79 CG MET A 506 -5.490 -9.904 1.236 1.00 0.00 C ATOM 80 SD MET A 506 -6.512 -9.402 2.629 1.00 0.00 S ATOM 81 CE MET A 506 -7.673 -8.317 1.807 1.00 0.00 C ATOM 0 H MET A 506 -1.802 -10.614 1.251 1.00 0.00 H new ATOM 0 HA MET A 506 -3.560 -8.711 2.389 1.00 0.00 H new ATOM 0 HB2 MET A 506 -3.697 -10.970 0.763 1.00 0.00 H new ATOM 0 HB3 MET A 506 -4.483 -11.506 2.234 1.00 0.00 H new ATOM 0 HG2 MET A 506 -5.227 -9.023 0.651 1.00 0.00 H new ATOM 0 HG3 MET A 506 -6.070 -10.557 0.585 1.00 0.00 H new ATOM 0 HE1 MET A 506 -7.654 -7.336 2.283 1.00 0.00 H new ATOM 0 HE2 MET A 506 -7.397 -8.217 0.757 1.00 0.00 H new ATOM 0 HE3 MET A 506 -8.677 -8.736 1.879 1.00 0.00 H new ATOM 91 N ASP A 507 -2.704 -11.271 4.308 1.00 0.00 N ATOM 92 CA ASP A 507 -2.697 -11.731 5.691 1.00 0.00 C ATOM 93 C ASP A 507 -1.861 -10.794 6.546 1.00 0.00 C ATOM 94 O ASP A 507 -2.165 -10.574 7.715 1.00 0.00 O ATOM 95 CB ASP A 507 -2.138 -13.142 5.783 1.00 0.00 C ATOM 96 CG ASP A 507 -2.584 -13.868 7.039 1.00 0.00 C ATOM 97 OD1 ASP A 507 -2.081 -13.548 8.136 1.00 0.00 O1- ATOM 98 OD2 ASP A 507 -3.444 -14.769 6.932 1.00 0.00 O ATOM 0 H ASP A 507 -2.201 -11.874 3.657 1.00 0.00 H new ATOM 0 HA ASP A 507 -3.724 -11.736 6.057 1.00 0.00 H new ATOM 0 HB2 ASP A 507 -2.453 -13.711 4.908 1.00 0.00 H new ATOM 0 HB3 ASP A 507 -1.049 -13.099 5.760 1.00 0.00 H new ATOM 103 N VAL A 508 -0.809 -10.236 5.947 1.00 0.00 N ATOM 104 CA VAL A 508 0.008 -9.226 6.628 1.00 0.00 C ATOM 105 C VAL A 508 -0.868 -8.103 7.163 1.00 0.00 C ATOM 106 O VAL A 508 -0.669 -7.613 8.274 1.00 0.00 O ATOM 107 CB VAL A 508 1.094 -8.633 5.700 1.00 0.00 C ATOM 108 CG1 VAL A 508 1.861 -7.515 6.396 1.00 0.00 C ATOM 109 CG2 VAL A 508 2.051 -9.719 5.242 1.00 0.00 C ATOM 0 H VAL A 508 -0.503 -10.462 5.001 1.00 0.00 H new ATOM 0 HA VAL A 508 0.508 -9.729 7.456 1.00 0.00 H new ATOM 0 HB VAL A 508 0.595 -8.211 4.827 1.00 0.00 H new ATOM 0 HG11 VAL A 508 2.618 -7.117 5.720 1.00 0.00 H new ATOM 0 HG12 VAL A 508 1.170 -6.720 6.676 1.00 0.00 H new ATOM 0 HG13 VAL A 508 2.344 -7.908 7.291 1.00 0.00 H new ATOM 0 HG21 VAL A 508 2.809 -9.285 4.590 1.00 0.00 H new ATOM 0 HG22 VAL A 508 2.533 -10.169 6.110 1.00 0.00 H new ATOM 0 HG23 VAL A 508 1.499 -10.484 4.697 1.00 0.00 H new ATOM 119 N LEU A 509 -1.852 -7.720 6.373 1.00 0.00 N ATOM 120 CA LEU A 509 -2.734 -6.627 6.731 1.00 0.00 C ATOM 121 C LEU A 509 -3.831 -7.115 7.668 1.00 0.00 C ATOM 122 O LEU A 509 -4.265 -6.396 8.565 1.00 0.00 O ATOM 123 CB LEU A 509 -3.325 -6.021 5.459 1.00 0.00 C ATOM 124 CG LEU A 509 -2.349 -5.960 4.280 1.00 0.00 C ATOM 125 CD1 LEU A 509 -2.948 -5.184 3.123 1.00 0.00 C ATOM 126 CD2 LEU A 509 -1.001 -5.382 4.709 1.00 0.00 C ATOM 0 H LEU A 509 -2.061 -8.153 5.473 1.00 0.00 H new ATOM 0 HA LEU A 509 -2.169 -5.858 7.258 1.00 0.00 H new ATOM 0 HB2 LEU A 509 -4.198 -6.604 5.164 1.00 0.00 H new ATOM 0 HB3 LEU A 509 -3.675 -5.012 5.679 1.00 0.00 H new ATOM 0 HG LEU A 509 -2.169 -6.978 3.936 1.00 0.00 H new ATOM 0 HD11 LEU A 509 -2.237 -5.154 2.298 1.00 0.00 H new ATOM 0 HD12 LEU A 509 -3.865 -5.672 2.794 1.00 0.00 H new ATOM 0 HD13 LEU A 509 -3.173 -4.167 3.445 1.00 0.00 H new ATOM 0 HD21 LEU A 509 -0.329 -5.351 3.851 1.00 0.00 H new ATOM 0 HD22 LEU A 509 -1.144 -4.373 5.095 1.00 0.00 H new ATOM 0 HD23 LEU A 509 -0.567 -6.010 5.487 1.00 0.00 H new ATOM 138 N LYS A 510 -4.263 -8.350 7.456 1.00 0.00 N ATOM 139 CA LYS A 510 -5.295 -8.962 8.281 1.00 0.00 C ATOM 140 C LYS A 510 -4.799 -9.178 9.711 1.00 0.00 C ATOM 141 O LYS A 510 -5.568 -9.068 10.671 1.00 0.00 O ATOM 142 CB LYS A 510 -5.742 -10.296 7.666 1.00 0.00 C ATOM 143 CG LYS A 510 -6.628 -11.123 8.585 1.00 0.00 C ATOM 144 CD LYS A 510 -7.115 -12.394 7.915 1.00 0.00 C ATOM 145 CE LYS A 510 -7.823 -13.301 8.911 1.00 0.00 C ATOM 146 NZ LYS A 510 -8.991 -12.639 9.552 1.00 0.00 N1+ ATOM 0 H LYS A 510 -3.911 -8.953 6.712 1.00 0.00 H new ATOM 0 HA LYS A 510 -6.148 -8.284 8.318 1.00 0.00 H new ATOM 0 HB2 LYS A 510 -6.280 -10.097 6.739 1.00 0.00 H new ATOM 0 HB3 LYS A 510 -4.860 -10.880 7.404 1.00 0.00 H new ATOM 0 HG2 LYS A 510 -6.074 -11.379 9.488 1.00 0.00 H new ATOM 0 HG3 LYS A 510 -7.485 -10.526 8.895 1.00 0.00 H new ATOM 0 HD2 LYS A 510 -7.794 -12.142 7.101 1.00 0.00 H new ATOM 0 HD3 LYS A 510 -6.270 -12.923 7.473 1.00 0.00 H new ATOM 0 HE2 LYS A 510 -8.156 -14.205 8.401 1.00 0.00 H new ATOM 0 HE3 LYS A 510 -7.117 -13.611 9.681 1.00 0.00 H new ATOM 0 HZ1 LYS A 510 -9.528 -13.339 10.103 1.00 0.00 H new ATOM 0 HZ2 LYS A 510 -8.658 -11.883 10.184 1.00 0.00 H new ATOM 0 HZ3 LYS A 510 -9.605 -12.232 8.818 1.00 0.00 H new ATOM 160 N GLY A 511 -3.517 -9.486 9.845 1.00 0.00 N ATOM 161 CA GLY A 511 -2.954 -9.775 11.142 1.00 0.00 C ATOM 162 C GLY A 511 -2.451 -8.545 11.875 1.00 0.00 C ATOM 163 O GLY A 511 -2.040 -8.640 13.035 1.00 0.00 O ATOM 0 H GLY A 511 -2.855 -9.540 9.071 1.00 0.00 H new ATOM 0 HA2 GLY A 511 -3.709 -10.269 11.754 1.00 0.00 H new ATOM 0 HA3 GLY A 511 -2.130 -10.478 11.022 1.00 0.00 H new ATOM 167 N ASP A 512 -2.479 -7.392 11.219 1.00 0.00 N ATOM 168 CA ASP A 512 -1.988 -6.161 11.837 1.00 0.00 C ATOM 169 C ASP A 512 -3.137 -5.236 12.223 1.00 0.00 C ATOM 170 O ASP A 512 -4.115 -5.110 11.488 1.00 0.00 O ATOM 171 CB ASP A 512 -1.035 -5.415 10.904 1.00 0.00 C ATOM 172 CG ASP A 512 -0.524 -4.144 11.546 1.00 0.00 C ATOM 173 OD1 ASP A 512 0.351 -4.226 12.433 1.00 0.00 O ATOM 174 OD2 ASP A 512 -1.024 -3.062 11.193 1.00 0.00 O1- ATOM 0 H ASP A 512 -2.832 -7.280 10.269 1.00 0.00 H new ATOM 0 HA ASP A 512 -1.450 -6.453 12.739 1.00 0.00 H new ATOM 0 HB2 ASP A 512 -0.194 -6.060 10.648 1.00 0.00 H new ATOM 0 HB3 ASP A 512 -1.548 -5.174 9.973 1.00 0.00 H new ATOM 179 N ASN A 513 -2.992 -4.573 13.367 1.00 0.00 N ATOM 180 CA ASN A 513 -4.032 -3.694 13.900 1.00 0.00 C ATOM 181 C ASN A 513 -4.215 -2.445 13.039 1.00 0.00 C ATOM 182 O ASN A 513 -5.324 -1.929 12.903 1.00 0.00 O ATOM 183 CB ASN A 513 -3.688 -3.262 15.330 1.00 0.00 C ATOM 184 CG ASN A 513 -3.523 -4.429 16.284 1.00 0.00 C ATOM 185 OD1 ASN A 513 -2.435 -4.988 16.416 1.00 0.00 O ATOM 186 ND2 ASN A 513 -4.597 -4.794 16.967 1.00 0.00 N ATOM 0 H ASN A 513 -2.156 -4.628 13.949 1.00 0.00 H new ATOM 0 HA ASN A 513 -4.962 -4.262 13.894 1.00 0.00 H new ATOM 0 HB2 ASN A 513 -2.766 -2.680 15.315 1.00 0.00 H new ATOM 0 HB3 ASN A 513 -4.474 -2.605 15.703 1.00 0.00 H new ATOM 0 HD21 ASN A 513 -4.541 -5.565 17.632 1.00 0.00 H new ATOM 0 HD22 ASN A 513 -5.481 -4.304 16.828 1.00 0.00 H new ATOM 193 N ARG A 514 -3.133 -1.968 12.439 1.00 0.00 N ATOM 194 CA ARG A 514 -3.165 -0.703 11.719 1.00 0.00 C ATOM 195 C ARG A 514 -3.701 -0.921 10.315 1.00 0.00 C ATOM 196 O ARG A 514 -4.138 0.020 9.650 1.00 0.00 O ATOM 197 CB ARG A 514 -1.772 -0.055 11.645 1.00 0.00 C ATOM 198 CG ARG A 514 -1.077 0.128 12.991 1.00 0.00 C ATOM 199 CD ARG A 514 -0.383 -1.148 13.434 1.00 0.00 C ATOM 200 NE ARG A 514 0.237 -1.024 14.749 1.00 0.00 N ATOM 201 CZ ARG A 514 0.894 -2.012 15.354 1.00 0.00 C ATOM 202 NH1 ARG A 514 1.058 -3.184 14.746 1.00 0.00 N1+ ATOM 203 NH2 ARG A 514 1.405 -1.828 16.565 1.00 0.00 N ATOM 0 H ARG A 514 -2.226 -2.435 12.436 1.00 0.00 H new ATOM 0 HA ARG A 514 -3.822 -0.027 12.266 1.00 0.00 H new ATOM 0 HB2 ARG A 514 -1.136 -0.666 11.004 1.00 0.00 H new ATOM 0 HB3 ARG A 514 -1.865 0.919 11.165 1.00 0.00 H new ATOM 0 HG2 ARG A 514 -0.347 0.935 12.919 1.00 0.00 H new ATOM 0 HG3 ARG A 514 -1.808 0.426 13.742 1.00 0.00 H new ATOM 0 HD2 ARG A 514 -1.107 -1.963 13.453 1.00 0.00 H new ATOM 0 HD3 ARG A 514 0.378 -1.416 12.702 1.00 0.00 H new ATOM 0 HE ARG A 514 0.163 -0.129 15.233 1.00 0.00 H new ATOM 0 HH11 ARG A 514 0.679 -3.330 13.810 1.00 0.00 H new ATOM 0 HH12 ARG A 514 1.562 -3.936 15.216 1.00 0.00 H new ATOM 0 HH21 ARG A 514 1.295 -0.929 17.034 1.00 0.00 H new ATOM 0 HH22 ARG A 514 1.908 -2.586 17.027 1.00 0.00 H new ATOM 217 N PHE A 515 -3.657 -2.166 9.866 1.00 0.00 N ATOM 218 CA PHE A 515 -4.147 -2.519 8.554 1.00 0.00 C ATOM 219 C PHE A 515 -5.458 -3.301 8.646 1.00 0.00 C ATOM 220 O PHE A 515 -5.985 -3.750 7.632 1.00 0.00 O ATOM 221 CB PHE A 515 -3.099 -3.351 7.821 1.00 0.00 C ATOM 222 CG PHE A 515 -1.748 -2.700 7.737 1.00 0.00 C ATOM 223 CD1 PHE A 515 -1.623 -1.369 7.375 1.00 0.00 C ATOM 224 CD2 PHE A 515 -0.600 -3.430 8.002 1.00 0.00 C ATOM 225 CE1 PHE A 515 -0.383 -0.778 7.286 1.00 0.00 C ATOM 226 CE2 PHE A 515 0.643 -2.841 7.917 1.00 0.00 C ATOM 227 CZ PHE A 515 0.752 -1.514 7.553 1.00 0.00 C ATOM 0 H PHE A 515 -3.283 -2.950 10.400 1.00 0.00 H new ATOM 0 HA PHE A 515 -4.338 -1.599 8.001 1.00 0.00 H new ATOM 0 HB2 PHE A 515 -2.997 -4.312 8.325 1.00 0.00 H new ATOM 0 HB3 PHE A 515 -3.455 -3.556 6.811 1.00 0.00 H new ATOM 0 HD1 PHE A 515 -2.508 -0.788 7.160 1.00 0.00 H new ATOM 0 HD2 PHE A 515 -0.680 -4.471 8.278 1.00 0.00 H new ATOM 0 HE1 PHE A 515 -0.299 0.262 7.007 1.00 0.00 H new ATOM 0 HE2 PHE A 515 1.530 -3.417 8.135 1.00 0.00 H new ATOM 0 HZ PHE A 515 1.726 -1.053 7.477 1.00 0.00 H new ATOM 237 N SER A 516 -6.002 -3.439 9.855 1.00 0.00 N ATOM 238 CA SER A 516 -7.218 -4.233 10.059 1.00 0.00 C ATOM 239 C SER A 516 -8.390 -3.684 9.248 1.00 0.00 C ATOM 240 O SER A 516 -9.187 -4.445 8.699 1.00 0.00 O ATOM 241 CB SER A 516 -7.592 -4.273 11.542 1.00 0.00 C ATOM 242 OG SER A 516 -6.581 -4.890 12.312 1.00 0.00 O ATOM 0 H SER A 516 -5.625 -3.016 10.703 1.00 0.00 H new ATOM 0 HA SER A 516 -7.007 -5.245 9.713 1.00 0.00 H new ATOM 0 HB2 SER A 516 -7.759 -3.259 11.904 1.00 0.00 H new ATOM 0 HB3 SER A 516 -8.529 -4.815 11.668 1.00 0.00 H new ATOM 0 HG SER A 516 -5.769 -4.982 11.772 1.00 0.00 H new ATOM 248 N MET A 517 -8.480 -2.367 9.161 1.00 0.00 N ATOM 249 CA MET A 517 -9.564 -1.726 8.432 1.00 0.00 C ATOM 250 C MET A 517 -9.221 -1.697 6.942 1.00 0.00 C ATOM 251 O MET A 517 -10.100 -1.686 6.082 1.00 0.00 O ATOM 252 CB MET A 517 -9.774 -0.314 8.986 1.00 0.00 C ATOM 253 CG MET A 517 -11.217 0.174 8.951 1.00 0.00 C ATOM 254 SD MET A 517 -11.820 0.477 7.280 1.00 0.00 S ATOM 255 CE MET A 517 -10.572 1.609 6.695 1.00 0.00 C ATOM 0 H MET A 517 -7.816 -1.720 9.586 1.00 0.00 H new ATOM 0 HA MET A 517 -10.492 -2.284 8.556 1.00 0.00 H new ATOM 0 HB2 MET A 517 -9.420 -0.286 10.017 1.00 0.00 H new ATOM 0 HB3 MET A 517 -9.156 0.381 8.418 1.00 0.00 H new ATOM 0 HG2 MET A 517 -11.856 -0.566 9.433 1.00 0.00 H new ATOM 0 HG3 MET A 517 -11.298 1.093 9.532 1.00 0.00 H new ATOM 0 HE1 MET A 517 -11.048 2.432 6.162 1.00 0.00 H new ATOM 0 HE2 MET A 517 -10.011 2.002 7.543 1.00 0.00 H new ATOM 0 HE3 MET A 517 -9.893 1.086 6.022 1.00 0.00 H new ATOM 265 N LEU A 518 -7.921 -1.715 6.655 1.00 0.00 N ATOM 266 CA LEU A 518 -7.415 -1.780 5.286 1.00 0.00 C ATOM 267 C LEU A 518 -7.950 -3.023 4.595 1.00 0.00 C ATOM 268 O LEU A 518 -8.391 -2.968 3.447 1.00 0.00 O ATOM 269 CB LEU A 518 -5.886 -1.800 5.323 1.00 0.00 C ATOM 270 CG LEU A 518 -5.166 -1.931 3.980 1.00 0.00 C ATOM 271 CD1 LEU A 518 -5.592 -0.838 3.010 1.00 0.00 C ATOM 272 CD2 LEU A 518 -3.664 -1.876 4.195 1.00 0.00 C ATOM 0 H LEU A 518 -7.189 -1.685 7.365 1.00 0.00 H new ATOM 0 HA LEU A 518 -7.749 -0.908 4.724 1.00 0.00 H new ATOM 0 HB2 LEU A 518 -5.546 -0.882 5.803 1.00 0.00 H new ATOM 0 HB3 LEU A 518 -5.572 -2.628 5.959 1.00 0.00 H new ATOM 0 HG LEU A 518 -5.439 -2.891 3.543 1.00 0.00 H new ATOM 0 HD11 LEU A 518 -5.061 -0.962 2.066 1.00 0.00 H new ATOM 0 HD12 LEU A 518 -6.666 -0.906 2.834 1.00 0.00 H new ATOM 0 HD13 LEU A 518 -5.355 0.138 3.434 1.00 0.00 H new ATOM 0 HD21 LEU A 518 -3.155 -1.970 3.235 1.00 0.00 H new ATOM 0 HD22 LEU A 518 -3.397 -0.925 4.656 1.00 0.00 H new ATOM 0 HD23 LEU A 518 -3.360 -2.694 4.848 1.00 0.00 H new ATOM 284 N VAL A 519 -7.921 -4.130 5.324 1.00 0.00 N ATOM 285 CA VAL A 519 -8.475 -5.404 4.847 1.00 0.00 C ATOM 286 C VAL A 519 -9.899 -5.220 4.331 1.00 0.00 C ATOM 287 O VAL A 519 -10.227 -5.629 3.221 1.00 0.00 O ATOM 288 CB VAL A 519 -8.512 -6.466 5.966 1.00 0.00 C ATOM 289 CG1 VAL A 519 -8.771 -7.854 5.397 1.00 0.00 C ATOM 290 CG2 VAL A 519 -7.231 -6.440 6.775 1.00 0.00 C ATOM 0 H VAL A 519 -7.516 -4.178 6.259 1.00 0.00 H new ATOM 0 HA VAL A 519 -7.820 -5.742 4.044 1.00 0.00 H new ATOM 0 HB VAL A 519 -9.338 -6.222 6.634 1.00 0.00 H new ATOM 0 HG11 VAL A 519 -8.792 -8.582 6.208 1.00 0.00 H new ATOM 0 HG12 VAL A 519 -9.730 -7.861 4.878 1.00 0.00 H new ATOM 0 HG13 VAL A 519 -7.977 -8.114 4.697 1.00 0.00 H new ATOM 0 HG21 VAL A 519 -7.280 -7.197 7.558 1.00 0.00 H new ATOM 0 HG22 VAL A 519 -6.384 -6.648 6.122 1.00 0.00 H new ATOM 0 HG23 VAL A 519 -7.107 -5.457 7.228 1.00 0.00 H new ATOM 300 N ALA A 520 -10.728 -4.593 5.153 1.00 0.00 N ATOM 301 CA ALA A 520 -12.137 -4.376 4.825 1.00 0.00 C ATOM 302 C ALA A 520 -12.307 -3.452 3.614 1.00 0.00 C ATOM 303 O ALA A 520 -13.253 -3.600 2.836 1.00 0.00 O ATOM 304 CB ALA A 520 -12.867 -3.811 6.033 1.00 0.00 C ATOM 0 H ALA A 520 -10.449 -4.221 6.061 1.00 0.00 H new ATOM 0 HA ALA A 520 -12.571 -5.340 4.558 1.00 0.00 H new ATOM 0 HB1 ALA A 520 -13.916 -3.652 5.783 1.00 0.00 H new ATOM 0 HB2 ALA A 520 -12.795 -4.514 6.863 1.00 0.00 H new ATOM 0 HB3 ALA A 520 -12.414 -2.862 6.321 1.00 0.00 H new ATOM 310 N ALA A 521 -11.399 -2.497 3.450 1.00 0.00 N ATOM 311 CA ALA A 521 -11.435 -1.626 2.281 1.00 0.00 C ATOM 312 C ALA A 521 -11.061 -2.410 1.031 1.00 0.00 C ATOM 313 O ALA A 521 -11.777 -2.383 0.034 1.00 0.00 O ATOM 314 CB ALA A 521 -10.516 -0.427 2.454 1.00 0.00 C ATOM 0 H ALA A 521 -10.638 -2.307 4.102 1.00 0.00 H new ATOM 0 HA ALA A 521 -12.452 -1.250 2.171 1.00 0.00 H new ATOM 0 HB1 ALA A 521 -10.567 0.202 1.565 1.00 0.00 H new ATOM 0 HB2 ALA A 521 -10.830 0.149 3.324 1.00 0.00 H new ATOM 0 HB3 ALA A 521 -9.492 -0.771 2.597 1.00 0.00 H new ATOM 320 N ILE A 522 -9.949 -3.129 1.101 1.00 0.00 N ATOM 321 CA ILE A 522 -9.517 -3.989 0.007 1.00 0.00 C ATOM 322 C ILE A 522 -10.605 -5.013 -0.306 1.00 0.00 C ATOM 323 O ILE A 522 -10.813 -5.394 -1.459 1.00 0.00 O ATOM 324 CB ILE A 522 -8.202 -4.708 0.364 1.00 0.00 C ATOM 325 CG1 ILE A 522 -7.131 -3.681 0.719 1.00 0.00 C ATOM 326 CG2 ILE A 522 -7.737 -5.590 -0.785 1.00 0.00 C ATOM 327 CD1 ILE A 522 -5.894 -4.284 1.345 1.00 0.00 C ATOM 0 H ILE A 522 -9.326 -3.134 1.909 1.00 0.00 H new ATOM 0 HA ILE A 522 -9.341 -3.370 -0.873 1.00 0.00 H new ATOM 0 HB ILE A 522 -8.378 -5.349 1.228 1.00 0.00 H new ATOM 0 HG12 ILE A 522 -6.844 -3.141 -0.184 1.00 0.00 H new ATOM 0 HG13 ILE A 522 -7.555 -2.949 1.406 1.00 0.00 H new ATOM 0 HG21 ILE A 522 -6.807 -6.087 -0.509 1.00 0.00 H new ATOM 0 HG22 ILE A 522 -8.499 -6.339 -1.000 1.00 0.00 H new ATOM 0 HG23 ILE A 522 -7.572 -4.977 -1.671 1.00 0.00 H new ATOM 0 HD11 ILE A 522 -5.178 -3.494 1.570 1.00 0.00 H new ATOM 0 HD12 ILE A 522 -6.167 -4.799 2.266 1.00 0.00 H new ATOM 0 HD13 ILE A 522 -5.444 -4.994 0.651 1.00 0.00 H new ATOM 339 N GLN A 523 -11.297 -5.440 0.741 1.00 0.00 N ATOM 340 CA GLN A 523 -12.455 -6.296 0.619 1.00 0.00 C ATOM 341 C GLN A 523 -13.498 -5.653 -0.278 1.00 0.00 C ATOM 342 O GLN A 523 -13.897 -6.228 -1.289 1.00 0.00 O ATOM 343 CB GLN A 523 -13.037 -6.531 2.005 1.00 0.00 C ATOM 344 CG GLN A 523 -13.870 -7.780 2.125 1.00 0.00 C ATOM 345 CD GLN A 523 -15.293 -7.615 1.607 1.00 0.00 C ATOM 346 OE1 GLN A 523 -15.486 -7.766 0.301 1.00 0.00 O flip ATOM 347 NE2 GLN A 523 -16.203 -7.303 2.373 1.00 0.00 N flip ATOM 0 H GLN A 523 -11.064 -5.197 1.704 1.00 0.00 H new ATOM 0 HA GLN A 523 -12.159 -7.246 0.173 1.00 0.00 H new ATOM 0 HB2 GLN A 523 -12.220 -6.583 2.725 1.00 0.00 H new ATOM 0 HB3 GLN A 523 -13.650 -5.672 2.279 1.00 0.00 H new ATOM 0 HG2 GLN A 523 -13.383 -8.586 1.576 1.00 0.00 H new ATOM 0 HG3 GLN A 523 -13.906 -8.084 3.171 1.00 0.00 H new ATOM 0 HE21 GLN A 523 -16.016 -7.196 3.370 1.00 0.00 H new ATOM 0 HE22 GLN A 523 -17.145 -7.151 2.011 1.00 0.00 H new ATOM 356 N SER A 524 -13.931 -4.458 0.097 1.00 0.00 N ATOM 357 CA SER A 524 -14.932 -3.726 -0.673 1.00 0.00 C ATOM 358 C SER A 524 -14.452 -3.483 -2.105 1.00 0.00 C ATOM 359 O SER A 524 -15.257 -3.355 -3.029 1.00 0.00 O ATOM 360 CB SER A 524 -15.259 -2.400 0.014 1.00 0.00 C ATOM 361 OG SER A 524 -15.756 -2.614 1.327 1.00 0.00 O ATOM 0 H SER A 524 -13.605 -3.972 0.932 1.00 0.00 H new ATOM 0 HA SER A 524 -15.838 -4.331 -0.720 1.00 0.00 H new ATOM 0 HB2 SER A 524 -14.364 -1.779 0.057 1.00 0.00 H new ATOM 0 HB3 SER A 524 -15.998 -1.855 -0.574 1.00 0.00 H new ATOM 0 HG SER A 524 -15.031 -2.937 1.903 1.00 0.00 H new ATOM 367 N ALA A 525 -13.136 -3.437 -2.280 1.00 0.00 N ATOM 368 CA ALA A 525 -12.540 -3.283 -3.599 1.00 0.00 C ATOM 369 C ALA A 525 -12.634 -4.586 -4.395 1.00 0.00 C ATOM 370 O ALA A 525 -12.625 -4.571 -5.624 1.00 0.00 O ATOM 371 CB ALA A 525 -11.090 -2.829 -3.478 1.00 0.00 C ATOM 0 H ALA A 525 -12.460 -3.505 -1.519 1.00 0.00 H new ATOM 0 HA ALA A 525 -13.097 -2.518 -4.139 1.00 0.00 H new ATOM 0 HB1 ALA A 525 -10.659 -2.719 -4.473 1.00 0.00 H new ATOM 0 HB2 ALA A 525 -11.051 -1.872 -2.957 1.00 0.00 H new ATOM 0 HB3 ALA A 525 -10.522 -3.571 -2.917 1.00 0.00 H new ATOM 377 N GLY A 526 -12.746 -5.715 -3.689 1.00 0.00 N ATOM 378 CA GLY A 526 -12.894 -7.002 -4.349 1.00 0.00 C ATOM 379 C GLY A 526 -11.658 -7.458 -5.107 1.00 0.00 C ATOM 380 O GLY A 526 -11.754 -8.324 -5.971 1.00 0.00 O ATOM 0 H GLY A 526 -12.736 -5.758 -2.670 1.00 0.00 H new ATOM 0 HA2 GLY A 526 -13.147 -7.754 -3.602 1.00 0.00 H new ATOM 0 HA3 GLY A 526 -13.733 -6.948 -5.043 1.00 0.00 H new ATOM 384 N LEU A 527 -10.498 -6.898 -4.785 1.00 0.00 N ATOM 385 CA LEU A 527 -9.269 -7.274 -5.477 1.00 0.00 C ATOM 386 C LEU A 527 -8.403 -8.181 -4.607 1.00 0.00 C ATOM 387 O LEU A 527 -7.195 -8.303 -4.819 1.00 0.00 O ATOM 388 CB LEU A 527 -8.499 -6.025 -5.932 1.00 0.00 C ATOM 389 CG LEU A 527 -8.197 -4.977 -4.856 1.00 0.00 C ATOM 390 CD1 LEU A 527 -6.890 -5.284 -4.140 1.00 0.00 C ATOM 391 CD2 LEU A 527 -8.150 -3.596 -5.482 1.00 0.00 C ATOM 0 H LEU A 527 -10.381 -6.191 -4.059 1.00 0.00 H new ATOM 0 HA LEU A 527 -9.539 -7.841 -6.368 1.00 0.00 H new ATOM 0 HB2 LEU A 527 -7.554 -6.347 -6.369 1.00 0.00 H new ATOM 0 HB3 LEU A 527 -9.069 -5.543 -6.726 1.00 0.00 H new ATOM 0 HG LEU A 527 -8.995 -5.005 -4.114 1.00 0.00 H new ATOM 0 HD11 LEU A 527 -6.703 -4.523 -3.382 1.00 0.00 H new ATOM 0 HD12 LEU A 527 -6.957 -6.262 -3.663 1.00 0.00 H new ATOM 0 HD13 LEU A 527 -6.072 -5.287 -4.861 1.00 0.00 H new ATOM 0 HD21 LEU A 527 -7.935 -2.855 -4.712 1.00 0.00 H new ATOM 0 HD22 LEU A 527 -7.369 -3.567 -6.242 1.00 0.00 H new ATOM 0 HD23 LEU A 527 -9.112 -3.372 -5.942 1.00 0.00 H new ATOM 403 N THR A 528 -9.039 -8.842 -3.643 1.00 0.00 N ATOM 404 CA THR A 528 -8.353 -9.783 -2.769 1.00 0.00 C ATOM 405 C THR A 528 -7.605 -10.834 -3.580 1.00 0.00 C ATOM 406 O THR A 528 -6.466 -11.175 -3.268 1.00 0.00 O ATOM 407 CB THR A 528 -9.348 -10.494 -1.839 1.00 0.00 C ATOM 408 OG1 THR A 528 -10.071 -9.528 -1.070 1.00 0.00 O ATOM 409 CG2 THR A 528 -8.622 -11.466 -0.917 1.00 0.00 C ATOM 0 H THR A 528 -10.035 -8.740 -3.449 1.00 0.00 H new ATOM 0 HA THR A 528 -7.643 -9.210 -2.173 1.00 0.00 H new ATOM 0 HB THR A 528 -10.051 -11.062 -2.449 1.00 0.00 H new ATOM 0 HG1 THR A 528 -10.705 -9.987 -0.480 1.00 0.00 H new ATOM 0 HG21 THR A 528 -9.344 -11.959 -0.267 1.00 0.00 H new ATOM 0 HG22 THR A 528 -8.102 -12.215 -1.515 1.00 0.00 H new ATOM 0 HG23 THR A 528 -7.900 -10.921 -0.309 1.00 0.00 H new ATOM 417 N GLU A 529 -8.250 -11.319 -4.632 1.00 0.00 N ATOM 418 CA GLU A 529 -7.685 -12.352 -5.490 1.00 0.00 C ATOM 419 C GLU A 529 -6.381 -11.911 -6.140 1.00 0.00 C ATOM 420 O GLU A 529 -5.642 -12.743 -6.651 1.00 0.00 O ATOM 421 CB GLU A 529 -8.684 -12.780 -6.568 1.00 0.00 C ATOM 422 CG GLU A 529 -9.823 -13.650 -6.048 1.00 0.00 C ATOM 423 CD GLU A 529 -10.762 -12.906 -5.119 1.00 0.00 C ATOM 424 OE1 GLU A 529 -10.488 -12.863 -3.903 1.00 0.00 O1- ATOM 425 OE2 GLU A 529 -11.768 -12.355 -5.610 1.00 0.00 O ATOM 0 H GLU A 529 -9.179 -11.008 -4.915 1.00 0.00 H new ATOM 0 HA GLU A 529 -7.467 -13.205 -4.847 1.00 0.00 H new ATOM 0 HB2 GLU A 529 -9.105 -11.889 -7.033 1.00 0.00 H new ATOM 0 HB3 GLU A 529 -8.151 -13.325 -7.347 1.00 0.00 H new ATOM 0 HG2 GLU A 529 -10.390 -14.039 -6.893 1.00 0.00 H new ATOM 0 HG3 GLU A 529 -9.406 -14.509 -5.522 1.00 0.00 H new ATOM 432 N THR A 530 -6.106 -10.612 -6.137 1.00 0.00 N ATOM 433 CA THR A 530 -4.834 -10.111 -6.631 1.00 0.00 C ATOM 434 C THR A 530 -3.733 -10.370 -5.599 1.00 0.00 C ATOM 435 O THR A 530 -2.699 -10.951 -5.913 1.00 0.00 O ATOM 436 CB THR A 530 -4.908 -8.599 -6.940 1.00 0.00 C ATOM 437 OG1 THR A 530 -6.034 -8.335 -7.788 1.00 0.00 O ATOM 438 CG2 THR A 530 -3.636 -8.109 -7.620 1.00 0.00 C ATOM 0 H THR A 530 -6.744 -9.892 -5.799 1.00 0.00 H new ATOM 0 HA THR A 530 -4.602 -10.639 -7.556 1.00 0.00 H new ATOM 0 HB THR A 530 -5.018 -8.066 -5.996 1.00 0.00 H new ATOM 0 HG1 THR A 530 -6.080 -7.375 -7.981 1.00 0.00 H new ATOM 0 HG21 THR A 530 -3.720 -7.042 -7.824 1.00 0.00 H new ATOM 0 HG22 THR A 530 -2.782 -8.287 -6.966 1.00 0.00 H new ATOM 0 HG23 THR A 530 -3.494 -8.647 -8.557 1.00 0.00 H new ATOM 446 N LEU A 531 -3.983 -9.969 -4.356 1.00 0.00 N ATOM 447 CA LEU A 531 -2.994 -10.112 -3.293 1.00 0.00 C ATOM 448 C LEU A 531 -2.989 -11.526 -2.713 1.00 0.00 C ATOM 449 O LEU A 531 -2.089 -11.892 -1.959 1.00 0.00 O ATOM 450 CB LEU A 531 -3.258 -9.096 -2.183 1.00 0.00 C ATOM 451 CG LEU A 531 -3.018 -7.634 -2.568 1.00 0.00 C ATOM 452 CD1 LEU A 531 -3.244 -6.729 -1.370 1.00 0.00 C ATOM 453 CD2 LEU A 531 -1.610 -7.436 -3.122 1.00 0.00 C ATOM 0 H LEU A 531 -4.861 -9.543 -4.060 1.00 0.00 H new ATOM 0 HA LEU A 531 -2.013 -9.924 -3.730 1.00 0.00 H new ATOM 0 HB2 LEU A 531 -4.291 -9.203 -1.852 1.00 0.00 H new ATOM 0 HB3 LEU A 531 -2.624 -9.340 -1.331 1.00 0.00 H new ATOM 0 HG LEU A 531 -3.730 -7.369 -3.350 1.00 0.00 H new ATOM 0 HD11 LEU A 531 -3.070 -5.693 -1.659 1.00 0.00 H new ATOM 0 HD12 LEU A 531 -4.270 -6.840 -1.018 1.00 0.00 H new ATOM 0 HD13 LEU A 531 -2.555 -7.004 -0.571 1.00 0.00 H new ATOM 0 HD21 LEU A 531 -1.467 -6.388 -3.387 1.00 0.00 H new ATOM 0 HD22 LEU A 531 -0.878 -7.722 -2.367 1.00 0.00 H new ATOM 0 HD23 LEU A 531 -1.477 -8.056 -4.009 1.00 0.00 H new ATOM 465 N ASN A 532 -4.018 -12.297 -3.029 1.00 0.00 N ATOM 466 CA ASN A 532 -4.094 -13.688 -2.634 1.00 0.00 C ATOM 467 C ASN A 532 -3.126 -14.553 -3.445 1.00 0.00 C ATOM 468 O ASN A 532 -2.757 -15.651 -3.025 1.00 0.00 O ATOM 469 CB ASN A 532 -5.527 -14.139 -2.855 1.00 0.00 C ATOM 470 CG ASN A 532 -5.963 -15.259 -1.961 1.00 0.00 C ATOM 471 OD1 ASN A 532 -7.212 -15.187 -1.593 1.00 0.00 O flip ATOM 472 ND2 ASN A 532 -5.199 -16.148 -1.592 1.00 0.00 N flip ATOM 0 H ASN A 532 -4.822 -11.973 -3.566 1.00 0.00 H new ATOM 0 HA ASN A 532 -3.808 -13.797 -1.588 1.00 0.00 H new ATOM 0 HB2 ASN A 532 -6.191 -13.288 -2.703 1.00 0.00 H new ATOM 0 HB3 ASN A 532 -5.642 -14.452 -3.893 1.00 0.00 H new ATOM 0 HD21 ASN A 532 -4.231 -16.154 -1.912 1.00 0.00 H new ATOM 0 HD22 ASN A 532 -5.533 -16.880 -0.965 1.00 0.00 H new ATOM 479 N ARG A 533 -2.702 -14.043 -4.598 1.00 0.00 N ATOM 480 CA ARG A 533 -1.841 -14.798 -5.501 1.00 0.00 C ATOM 481 C ARG A 533 -0.419 -14.877 -4.964 1.00 0.00 C ATOM 482 O ARG A 533 0.105 -13.903 -4.421 1.00 0.00 O ATOM 483 CB ARG A 533 -1.810 -14.145 -6.885 1.00 0.00 C ATOM 484 CG ARG A 533 -3.173 -14.009 -7.534 1.00 0.00 C ATOM 485 CD ARG A 533 -3.075 -13.348 -8.897 1.00 0.00 C ATOM 486 NE ARG A 533 -4.386 -13.134 -9.513 1.00 0.00 N ATOM 487 CZ ARG A 533 -4.618 -13.276 -10.819 1.00 0.00 C ATOM 488 NH1 ARG A 533 -3.648 -13.713 -11.610 1.00 0.00 N1+ ATOM 489 NH2 ARG A 533 -5.813 -12.996 -11.333 1.00 0.00 N ATOM 0 H ARG A 533 -2.942 -13.108 -4.929 1.00 0.00 H new ATOM 0 HA ARG A 533 -2.252 -15.805 -5.577 1.00 0.00 H new ATOM 0 HB2 ARG A 533 -1.360 -13.156 -6.799 1.00 0.00 H new ATOM 0 HB3 ARG A 533 -1.165 -14.733 -7.538 1.00 0.00 H new ATOM 0 HG2 ARG A 533 -3.628 -14.994 -7.638 1.00 0.00 H new ATOM 0 HG3 ARG A 533 -3.827 -13.422 -6.890 1.00 0.00 H new ATOM 0 HD2 ARG A 533 -2.564 -12.391 -8.797 1.00 0.00 H new ATOM 0 HD3 ARG A 533 -2.465 -13.968 -9.555 1.00 0.00 H new ATOM 0 HE ARG A 533 -5.163 -12.862 -8.911 1.00 0.00 H new ATOM 0 HH11 ARG A 533 -2.733 -13.938 -11.219 1.00 0.00 H new ATOM 0 HH12 ARG A 533 -3.817 -13.825 -12.610 1.00 0.00 H new ATOM 0 HH21 ARG A 533 -6.565 -12.668 -10.727 1.00 0.00 H new ATOM 0 HH22 ARG A 533 -5.977 -13.109 -12.333 1.00 0.00 H new ATOM 503 N GLU A 534 0.198 -16.042 -5.109 1.00 0.00 N ATOM 504 CA GLU A 534 1.603 -16.196 -4.783 1.00 0.00 C ATOM 505 C GLU A 534 2.456 -15.757 -5.964 1.00 0.00 C ATOM 506 O GLU A 534 2.210 -16.151 -7.105 1.00 0.00 O ATOM 507 CB GLU A 534 1.928 -17.642 -4.416 1.00 0.00 C ATOM 508 CG GLU A 534 3.401 -17.868 -4.118 1.00 0.00 C ATOM 509 CD GLU A 534 3.714 -19.300 -3.748 1.00 0.00 C ATOM 510 OE1 GLU A 534 3.934 -20.122 -4.662 1.00 0.00 O ATOM 511 OE2 GLU A 534 3.759 -19.607 -2.543 1.00 0.00 O1- ATOM 0 H GLU A 534 -0.254 -16.891 -5.450 1.00 0.00 H new ATOM 0 HA GLU A 534 1.825 -15.569 -3.919 1.00 0.00 H new ATOM 0 HB2 GLU A 534 1.339 -17.930 -3.545 1.00 0.00 H new ATOM 0 HB3 GLU A 534 1.625 -18.295 -5.235 1.00 0.00 H new ATOM 0 HG2 GLU A 534 3.990 -17.587 -4.991 1.00 0.00 H new ATOM 0 HG3 GLU A 534 3.706 -17.212 -3.302 1.00 0.00 H new ATOM 518 N GLY A 535 3.447 -14.938 -5.684 1.00 0.00 N ATOM 519 CA GLY A 535 4.303 -14.427 -6.723 1.00 0.00 C ATOM 520 C GLY A 535 5.155 -13.294 -6.215 1.00 0.00 C ATOM 521 O GLY A 535 5.915 -13.470 -5.261 1.00 0.00 O ATOM 0 H GLY A 535 3.677 -14.614 -4.744 1.00 0.00 H new ATOM 0 HA2 GLY A 535 4.942 -15.227 -7.098 1.00 0.00 H new ATOM 0 HA3 GLY A 535 3.697 -14.083 -7.561 1.00 0.00 H new ATOM 525 N VAL A 536 5.019 -12.129 -6.830 1.00 0.00 N ATOM 526 CA VAL A 536 5.768 -10.954 -6.418 1.00 0.00 C ATOM 527 C VAL A 536 4.882 -9.707 -6.425 1.00 0.00 C ATOM 528 O VAL A 536 4.237 -9.401 -7.425 1.00 0.00 O ATOM 529 CB VAL A 536 6.992 -10.715 -7.342 1.00 0.00 C ATOM 530 CG1 VAL A 536 8.054 -11.782 -7.133 1.00 0.00 C ATOM 531 CG2 VAL A 536 6.569 -10.690 -8.802 1.00 0.00 C ATOM 0 H VAL A 536 4.393 -11.973 -7.620 1.00 0.00 H new ATOM 0 HA VAL A 536 6.120 -11.138 -5.403 1.00 0.00 H new ATOM 0 HB VAL A 536 7.417 -9.746 -7.079 1.00 0.00 H new ATOM 0 HG11 VAL A 536 8.899 -11.589 -7.794 1.00 0.00 H new ATOM 0 HG12 VAL A 536 8.391 -11.762 -6.097 1.00 0.00 H new ATOM 0 HG13 VAL A 536 7.634 -12.762 -7.359 1.00 0.00 H new ATOM 0 HG21 VAL A 536 7.443 -10.521 -9.431 1.00 0.00 H new ATOM 0 HG22 VAL A 536 6.112 -11.644 -9.065 1.00 0.00 H new ATOM 0 HG23 VAL A 536 5.849 -9.887 -8.958 1.00 0.00 H new ATOM 541 N TYR A 537 4.858 -9.001 -5.298 1.00 0.00 N ATOM 542 CA TYR A 537 4.160 -7.722 -5.186 1.00 0.00 C ATOM 543 C TYR A 537 4.837 -6.856 -4.133 1.00 0.00 C ATOM 544 O TYR A 537 5.327 -7.367 -3.123 1.00 0.00 O ATOM 545 CB TYR A 537 2.683 -7.895 -4.784 1.00 0.00 C ATOM 546 CG TYR A 537 1.831 -8.667 -5.763 1.00 0.00 C ATOM 547 CD1 TYR A 537 1.374 -8.075 -6.932 1.00 0.00 C ATOM 548 CD2 TYR A 537 1.466 -9.983 -5.505 1.00 0.00 C ATOM 549 CE1 TYR A 537 0.590 -8.775 -7.826 1.00 0.00 C ATOM 550 CE2 TYR A 537 0.680 -10.689 -6.394 1.00 0.00 C ATOM 551 CZ TYR A 537 0.239 -10.079 -7.551 1.00 0.00 C ATOM 552 OH TYR A 537 -0.543 -10.778 -8.441 1.00 0.00 O ATOM 0 H TYR A 537 5.320 -9.298 -4.438 1.00 0.00 H new ATOM 0 HA TYR A 537 4.201 -7.252 -6.169 1.00 0.00 H new ATOM 0 HB2 TYR A 537 2.644 -8.399 -3.818 1.00 0.00 H new ATOM 0 HB3 TYR A 537 2.244 -6.907 -4.646 1.00 0.00 H new ATOM 0 HD1 TYR A 537 1.636 -7.049 -7.146 1.00 0.00 H new ATOM 0 HD2 TYR A 537 1.802 -10.460 -4.596 1.00 0.00 H new ATOM 0 HE1 TYR A 537 0.253 -8.303 -8.737 1.00 0.00 H new ATOM 0 HE2 TYR A 537 0.411 -11.714 -6.185 1.00 0.00 H new ATOM 0 HH TYR A 537 -0.503 -11.734 -8.230 1.00 0.00 H new ATOM 562 N THR A 538 4.877 -5.557 -4.375 1.00 0.00 N ATOM 563 CA THR A 538 5.309 -4.610 -3.357 1.00 0.00 C ATOM 564 C THR A 538 4.156 -3.695 -2.994 1.00 0.00 C ATOM 565 O THR A 538 3.713 -2.887 -3.810 1.00 0.00 O ATOM 566 CB THR A 538 6.513 -3.766 -3.814 1.00 0.00 C ATOM 567 OG1 THR A 538 7.624 -4.622 -4.076 1.00 0.00 O ATOM 568 CG2 THR A 538 6.896 -2.736 -2.757 1.00 0.00 C ATOM 0 H THR A 538 4.616 -5.133 -5.265 1.00 0.00 H new ATOM 0 HA THR A 538 5.625 -5.186 -2.487 1.00 0.00 H new ATOM 0 HB THR A 538 6.234 -3.233 -4.723 1.00 0.00 H new ATOM 0 HG1 THR A 538 7.723 -4.742 -5.044 1.00 0.00 H new ATOM 0 HG21 THR A 538 7.749 -2.155 -3.107 1.00 0.00 H new ATOM 0 HG22 THR A 538 6.053 -2.070 -2.576 1.00 0.00 H new ATOM 0 HG23 THR A 538 7.160 -3.246 -1.831 1.00 0.00 H new ATOM 576 N VAL A 539 3.653 -3.850 -1.785 1.00 0.00 N ATOM 577 CA VAL A 539 2.513 -3.092 -1.339 1.00 0.00 C ATOM 578 C VAL A 539 2.910 -2.097 -0.263 1.00 0.00 C ATOM 579 O VAL A 539 3.339 -2.481 0.830 1.00 0.00 O ATOM 580 CB VAL A 539 1.417 -4.026 -0.795 1.00 0.00 C ATOM 581 CG1 VAL A 539 0.246 -3.218 -0.279 1.00 0.00 C ATOM 582 CG2 VAL A 539 0.969 -5.005 -1.870 1.00 0.00 C ATOM 0 H VAL A 539 4.024 -4.501 -1.093 1.00 0.00 H new ATOM 0 HA VAL A 539 2.123 -2.546 -2.198 1.00 0.00 H new ATOM 0 HB VAL A 539 1.828 -4.600 0.035 1.00 0.00 H new ATOM 0 HG11 VAL A 539 -0.521 -3.892 0.102 1.00 0.00 H new ATOM 0 HG12 VAL A 539 0.583 -2.561 0.523 1.00 0.00 H new ATOM 0 HG13 VAL A 539 -0.168 -2.619 -1.090 1.00 0.00 H new ATOM 0 HG21 VAL A 539 0.194 -5.657 -1.468 1.00 0.00 H new ATOM 0 HG22 VAL A 539 0.573 -4.453 -2.722 1.00 0.00 H new ATOM 0 HG23 VAL A 539 1.819 -5.607 -2.191 1.00 0.00 H new ATOM 592 N PHE A 540 2.798 -0.820 -0.581 1.00 0.00 N ATOM 593 CA PHE A 540 2.969 0.201 0.418 1.00 0.00 C ATOM 594 C PHE A 540 1.642 0.399 1.131 1.00 0.00 C ATOM 595 O PHE A 540 0.689 0.915 0.559 1.00 0.00 O ATOM 596 CB PHE A 540 3.483 1.486 -0.225 1.00 0.00 C ATOM 597 CG PHE A 540 4.940 1.408 -0.577 1.00 0.00 C ATOM 598 CD1 PHE A 540 5.895 1.665 0.382 1.00 0.00 C ATOM 599 CD2 PHE A 540 5.352 1.081 -1.858 1.00 0.00 C ATOM 600 CE1 PHE A 540 7.241 1.598 0.079 1.00 0.00 C ATOM 601 CE2 PHE A 540 6.700 1.012 -2.172 1.00 0.00 C ATOM 602 CZ PHE A 540 7.643 1.275 -1.201 1.00 0.00 C ATOM 0 H PHE A 540 2.591 -0.474 -1.518 1.00 0.00 H new ATOM 0 HA PHE A 540 3.715 -0.098 1.154 1.00 0.00 H new ATOM 0 HB2 PHE A 540 2.905 1.694 -1.126 1.00 0.00 H new ATOM 0 HB3 PHE A 540 3.321 2.320 0.458 1.00 0.00 H new ATOM 0 HD1 PHE A 540 5.587 1.922 1.385 1.00 0.00 H new ATOM 0 HD2 PHE A 540 4.615 0.878 -2.621 1.00 0.00 H new ATOM 0 HE1 PHE A 540 7.978 1.798 0.843 1.00 0.00 H new ATOM 0 HE2 PHE A 540 7.011 0.753 -3.173 1.00 0.00 H new ATOM 0 HZ PHE A 540 8.695 1.228 -1.442 1.00 0.00 H new ATOM 612 N ALA A 541 1.588 -0.038 2.376 1.00 0.00 N ATOM 613 CA ALA A 541 0.321 -0.181 3.083 1.00 0.00 C ATOM 614 C ALA A 541 0.058 0.988 4.023 1.00 0.00 C ATOM 615 O ALA A 541 0.851 1.261 4.925 1.00 0.00 O ATOM 616 CB ALA A 541 0.302 -1.493 3.850 1.00 0.00 C ATOM 0 H ALA A 541 2.408 -0.302 2.923 1.00 0.00 H new ATOM 0 HA ALA A 541 -0.477 -0.184 2.340 1.00 0.00 H new ATOM 0 HB1 ALA A 541 -0.647 -1.593 4.376 1.00 0.00 H new ATOM 0 HB2 ALA A 541 0.421 -2.323 3.154 1.00 0.00 H new ATOM 0 HB3 ALA A 541 1.119 -1.505 4.571 1.00 0.00 H new ATOM 622 N PRO A 542 -1.060 1.696 3.812 1.00 0.00 N ATOM 623 CA PRO A 542 -1.453 2.817 4.652 1.00 0.00 C ATOM 624 C PRO A 542 -2.191 2.363 5.911 1.00 0.00 C ATOM 625 O PRO A 542 -3.022 1.453 5.865 1.00 0.00 O ATOM 626 CB PRO A 542 -2.375 3.616 3.738 1.00 0.00 C ATOM 627 CG PRO A 542 -3.003 2.600 2.844 1.00 0.00 C ATOM 628 CD PRO A 542 -2.028 1.452 2.731 1.00 0.00 C ATOM 0 HA PRO A 542 -0.599 3.385 5.021 1.00 0.00 H new ATOM 0 HB2 PRO A 542 -3.128 4.157 4.311 1.00 0.00 H new ATOM 0 HB3 PRO A 542 -1.818 4.357 3.164 1.00 0.00 H new ATOM 0 HG2 PRO A 542 -3.954 2.260 3.254 1.00 0.00 H new ATOM 0 HG3 PRO A 542 -3.213 3.026 1.863 1.00 0.00 H new ATOM 0 HD2 PRO A 542 -2.528 0.491 2.853 1.00 0.00 H new ATOM 0 HD3 PRO A 542 -1.541 1.437 1.756 1.00 0.00 H new ATOM 636 N THR A 543 -1.880 2.994 7.031 1.00 0.00 N ATOM 637 CA THR A 543 -2.488 2.639 8.305 1.00 0.00 C ATOM 638 C THR A 543 -3.851 3.309 8.499 1.00 0.00 C ATOM 639 O THR A 543 -4.341 4.025 7.625 1.00 0.00 O ATOM 640 CB THR A 543 -1.557 3.020 9.468 1.00 0.00 C ATOM 641 OG1 THR A 543 -1.362 4.439 9.502 1.00 0.00 O ATOM 642 CG2 THR A 543 -0.212 2.335 9.313 1.00 0.00 C ATOM 0 H THR A 543 -1.207 3.758 7.085 1.00 0.00 H new ATOM 0 HA THR A 543 -2.642 1.560 8.296 1.00 0.00 H new ATOM 0 HB THR A 543 -2.022 2.695 10.399 1.00 0.00 H new ATOM 0 HG1 THR A 543 -0.769 4.670 10.247 1.00 0.00 H new ATOM 0 HG21 THR A 543 0.436 2.614 10.144 1.00 0.00 H new ATOM 0 HG22 THR A 543 -0.352 1.254 9.310 1.00 0.00 H new ATOM 0 HG23 THR A 543 0.248 2.644 8.374 1.00 0.00 H new ATOM 650 N ASN A 544 -4.460 3.068 9.663 1.00 0.00 N ATOM 651 CA ASN A 544 -5.768 3.642 9.991 1.00 0.00 C ATOM 652 C ASN A 544 -5.709 5.161 10.039 1.00 0.00 C ATOM 653 O ASN A 544 -6.649 5.840 9.616 1.00 0.00 O ATOM 654 CB ASN A 544 -6.279 3.119 11.336 1.00 0.00 C ATOM 655 CG ASN A 544 -7.005 1.791 11.236 1.00 0.00 C ATOM 656 OD1 ASN A 544 -7.939 1.530 11.992 1.00 0.00 O ATOM 657 ND2 ASN A 544 -6.588 0.935 10.320 1.00 0.00 N ATOM 0 H ASN A 544 -4.067 2.478 10.396 1.00 0.00 H new ATOM 0 HA ASN A 544 -6.455 3.337 9.202 1.00 0.00 H new ATOM 0 HB2 ASN A 544 -5.436 3.012 12.019 1.00 0.00 H new ATOM 0 HB3 ASN A 544 -6.950 3.859 11.772 1.00 0.00 H new ATOM 0 HD21 ASN A 544 -7.044 0.027 10.225 1.00 0.00 H new ATOM 0 HD22 ASN A 544 -5.810 1.182 9.708 1.00 0.00 H new ATOM 664 N GLU A 545 -4.601 5.684 10.556 1.00 0.00 N ATOM 665 CA GLU A 545 -4.382 7.123 10.632 1.00 0.00 C ATOM 666 C GLU A 545 -4.426 7.736 9.241 1.00 0.00 C ATOM 667 O GLU A 545 -4.910 8.849 9.044 1.00 0.00 O ATOM 668 CB GLU A 545 -3.028 7.412 11.287 1.00 0.00 C ATOM 669 CG GLU A 545 -3.124 8.244 12.555 1.00 0.00 C ATOM 670 CD GLU A 545 -3.627 9.648 12.291 1.00 0.00 C ATOM 671 OE1 GLU A 545 -4.845 9.821 12.095 1.00 0.00 O ATOM 672 OE2 GLU A 545 -2.806 10.591 12.289 1.00 0.00 O1- ATOM 0 H GLU A 545 -3.835 5.125 10.932 1.00 0.00 H new ATOM 0 HA GLU A 545 -5.173 7.567 11.237 1.00 0.00 H new ATOM 0 HB2 GLU A 545 -2.539 6.466 11.521 1.00 0.00 H new ATOM 0 HB3 GLU A 545 -2.392 7.931 10.570 1.00 0.00 H new ATOM 0 HG2 GLU A 545 -3.791 7.749 13.261 1.00 0.00 H new ATOM 0 HG3 GLU A 545 -2.143 8.296 13.027 1.00 0.00 H new ATOM 679 N ALA A 546 -3.950 6.974 8.271 1.00 0.00 N ATOM 680 CA ALA A 546 -3.893 7.430 6.897 1.00 0.00 C ATOM 681 C ALA A 546 -5.275 7.525 6.290 1.00 0.00 C ATOM 682 O ALA A 546 -5.562 8.437 5.518 1.00 0.00 O ATOM 683 CB ALA A 546 -3.015 6.503 6.080 1.00 0.00 C ATOM 0 H ALA A 546 -3.595 6.029 8.414 1.00 0.00 H new ATOM 0 HA ALA A 546 -3.460 8.430 6.888 1.00 0.00 H new ATOM 0 HB1 ALA A 546 -2.977 6.853 5.048 1.00 0.00 H new ATOM 0 HB2 ALA A 546 -2.008 6.494 6.497 1.00 0.00 H new ATOM 0 HB3 ALA A 546 -3.427 5.494 6.106 1.00 0.00 H new ATOM 689 N PHE A 547 -6.137 6.591 6.651 1.00 0.00 N ATOM 690 CA PHE A 547 -7.508 6.614 6.181 1.00 0.00 C ATOM 691 C PHE A 547 -8.228 7.822 6.762 1.00 0.00 C ATOM 692 O PHE A 547 -9.275 8.238 6.269 1.00 0.00 O ATOM 693 CB PHE A 547 -8.233 5.317 6.556 1.00 0.00 C ATOM 694 CG PHE A 547 -7.509 4.080 6.101 1.00 0.00 C ATOM 695 CD1 PHE A 547 -6.947 4.020 4.833 1.00 0.00 C ATOM 696 CD2 PHE A 547 -7.395 2.977 6.935 1.00 0.00 C ATOM 697 CE1 PHE A 547 -6.285 2.883 4.410 1.00 0.00 C ATOM 698 CE2 PHE A 547 -6.735 1.841 6.515 1.00 0.00 C ATOM 699 CZ PHE A 547 -6.178 1.793 5.252 1.00 0.00 C ATOM 0 H PHE A 547 -5.911 5.810 7.267 1.00 0.00 H new ATOM 0 HA PHE A 547 -7.507 6.692 5.094 1.00 0.00 H new ATOM 0 HB2 PHE A 547 -8.359 5.279 7.638 1.00 0.00 H new ATOM 0 HB3 PHE A 547 -9.231 5.327 6.119 1.00 0.00 H new ATOM 0 HD1 PHE A 547 -7.028 4.870 4.171 1.00 0.00 H new ATOM 0 HD2 PHE A 547 -7.828 3.008 7.924 1.00 0.00 H new ATOM 0 HE1 PHE A 547 -5.851 2.847 3.422 1.00 0.00 H new ATOM 0 HE2 PHE A 547 -6.654 0.989 7.174 1.00 0.00 H new ATOM 0 HZ PHE A 547 -5.660 0.905 4.923 1.00 0.00 H new ATOM 709 N ARG A 548 -7.654 8.384 7.824 1.00 0.00 N ATOM 710 CA ARG A 548 -8.252 9.534 8.490 1.00 0.00 C ATOM 711 C ARG A 548 -7.681 10.829 7.913 1.00 0.00 C ATOM 712 O ARG A 548 -8.245 11.909 8.091 1.00 0.00 O ATOM 713 CB ARG A 548 -8.011 9.468 10.001 1.00 0.00 C ATOM 714 CG ARG A 548 -8.867 10.447 10.793 1.00 0.00 C ATOM 715 CD ARG A 548 -8.573 10.383 12.286 1.00 0.00 C ATOM 716 NE ARG A 548 -7.214 10.816 12.596 1.00 0.00 N ATOM 717 CZ ARG A 548 -6.915 11.869 13.352 1.00 0.00 C ATOM 718 NH1 ARG A 548 -7.877 12.576 13.926 1.00 0.00 N1+ ATOM 719 NH2 ARG A 548 -5.649 12.205 13.543 1.00 0.00 N ATOM 0 H ARG A 548 -6.779 8.062 8.239 1.00 0.00 H new ATOM 0 HA ARG A 548 -9.328 9.517 8.316 1.00 0.00 H new ATOM 0 HB2 ARG A 548 -8.213 8.455 10.350 1.00 0.00 H new ATOM 0 HB3 ARG A 548 -6.959 9.671 10.203 1.00 0.00 H new ATOM 0 HG2 ARG A 548 -8.688 11.460 10.431 1.00 0.00 H new ATOM 0 HG3 ARG A 548 -9.921 10.228 10.621 1.00 0.00 H new ATOM 0 HD2 ARG A 548 -9.284 11.011 12.823 1.00 0.00 H new ATOM 0 HD3 ARG A 548 -8.718 9.362 12.640 1.00 0.00 H new ATOM 0 HE ARG A 548 -6.442 10.275 12.207 1.00 0.00 H new ATOM 0 HH11 ARG A 548 -8.853 12.314 13.789 1.00 0.00 H new ATOM 0 HH12 ARG A 548 -7.641 13.382 14.505 1.00 0.00 H new ATOM 0 HH21 ARG A 548 -4.905 11.657 13.111 1.00 0.00 H new ATOM 0 HH22 ARG A 548 -5.417 13.012 14.122 1.00 0.00 H new ATOM 733 N ALA A 549 -6.564 10.703 7.208 1.00 0.00 N ATOM 734 CA ALA A 549 -5.869 11.858 6.650 1.00 0.00 C ATOM 735 C ALA A 549 -6.528 12.319 5.354 1.00 0.00 C ATOM 736 O ALA A 549 -6.268 13.418 4.863 1.00 0.00 O ATOM 737 CB ALA A 549 -4.407 11.512 6.409 1.00 0.00 C ATOM 0 H ALA A 549 -6.117 9.808 7.008 1.00 0.00 H new ATOM 0 HA ALA A 549 -5.929 12.678 7.366 1.00 0.00 H new ATOM 0 HB1 ALA A 549 -3.892 12.378 5.992 1.00 0.00 H new ATOM 0 HB2 ALA A 549 -3.939 11.231 7.353 1.00 0.00 H new ATOM 0 HB3 ALA A 549 -4.341 10.679 5.709 1.00 0.00 H new ATOM 743 N LEU A 550 -7.386 11.471 4.815 1.00 0.00 N ATOM 744 CA LEU A 550 -8.077 11.761 3.570 1.00 0.00 C ATOM 745 C LEU A 550 -9.452 12.358 3.835 1.00 0.00 C ATOM 746 O LEU A 550 -10.131 11.979 4.793 1.00 0.00 O ATOM 747 CB LEU A 550 -8.203 10.486 2.736 1.00 0.00 C ATOM 748 CG LEU A 550 -6.876 9.928 2.214 1.00 0.00 C ATOM 749 CD1 LEU A 550 -7.112 8.669 1.398 1.00 0.00 C ATOM 750 CD2 LEU A 550 -6.140 10.970 1.381 1.00 0.00 C ATOM 0 H LEU A 550 -7.623 10.567 5.224 1.00 0.00 H new ATOM 0 HA LEU A 550 -7.493 12.495 3.015 1.00 0.00 H new ATOM 0 HB2 LEU A 550 -8.691 9.720 3.339 1.00 0.00 H new ATOM 0 HB3 LEU A 550 -8.856 10.687 1.887 1.00 0.00 H new ATOM 0 HG LEU A 550 -6.254 9.675 3.072 1.00 0.00 H new ATOM 0 HD11 LEU A 550 -6.158 8.286 1.035 1.00 0.00 H new ATOM 0 HD12 LEU A 550 -7.591 7.915 2.023 1.00 0.00 H new ATOM 0 HD13 LEU A 550 -7.756 8.901 0.550 1.00 0.00 H new ATOM 0 HD21 LEU A 550 -5.200 10.551 1.021 1.00 0.00 H new ATOM 0 HD22 LEU A 550 -6.758 11.259 0.531 1.00 0.00 H new ATOM 0 HD23 LEU A 550 -5.934 11.847 1.994 1.00 0.00 H new ATOM 762 N PRO A 551 -9.875 13.313 2.991 1.00 0.00 N ATOM 763 CA PRO A 551 -11.180 13.957 3.116 1.00 0.00 C ATOM 764 C PRO A 551 -12.321 12.962 2.934 1.00 0.00 C ATOM 765 O PRO A 551 -12.298 12.136 2.014 1.00 0.00 O ATOM 766 CB PRO A 551 -11.196 14.996 1.985 1.00 0.00 C ATOM 767 CG PRO A 551 -9.771 15.163 1.589 1.00 0.00 C ATOM 768 CD PRO A 551 -9.113 13.838 1.848 1.00 0.00 C ATOM 0 HA PRO A 551 -11.321 14.395 4.104 1.00 0.00 H new ATOM 0 HB2 PRO A 551 -11.801 14.654 1.145 1.00 0.00 H new ATOM 0 HB3 PRO A 551 -11.624 15.940 2.323 1.00 0.00 H new ATOM 0 HG2 PRO A 551 -9.688 15.442 0.538 1.00 0.00 H new ATOM 0 HG3 PRO A 551 -9.295 15.955 2.167 1.00 0.00 H new ATOM 0 HD2 PRO A 551 -9.177 13.179 0.982 1.00 0.00 H new ATOM 0 HD3 PRO A 551 -8.055 13.951 2.085 1.00 0.00 H new ATOM 776 N PRO A 552 -13.329 13.023 3.819 1.00 0.00 N ATOM 777 CA PRO A 552 -14.497 12.134 3.765 1.00 0.00 C ATOM 778 C PRO A 552 -15.190 12.173 2.406 1.00 0.00 C ATOM 779 O PRO A 552 -15.728 11.168 1.948 1.00 0.00 O ATOM 780 CB PRO A 552 -15.419 12.694 4.851 1.00 0.00 C ATOM 781 CG PRO A 552 -14.505 13.390 5.802 1.00 0.00 C ATOM 782 CD PRO A 552 -13.400 13.957 4.960 1.00 0.00 C ATOM 0 HA PRO A 552 -14.223 11.090 3.916 1.00 0.00 H new ATOM 0 HB2 PRO A 552 -16.153 13.382 4.431 1.00 0.00 H new ATOM 0 HB3 PRO A 552 -15.975 11.899 5.347 1.00 0.00 H new ATOM 0 HG2 PRO A 552 -15.029 14.178 6.343 1.00 0.00 H new ATOM 0 HG3 PRO A 552 -14.114 12.697 6.547 1.00 0.00 H new ATOM 0 HD2 PRO A 552 -13.623 14.973 4.635 1.00 0.00 H new ATOM 0 HD3 PRO A 552 -12.458 13.997 5.507 1.00 0.00 H new ATOM 790 N ARG A 553 -15.148 13.339 1.765 1.00 0.00 N ATOM 791 CA ARG A 553 -15.746 13.528 0.444 1.00 0.00 C ATOM 792 C ARG A 553 -15.158 12.554 -0.582 1.00 0.00 C ATOM 793 O ARG A 553 -15.838 12.141 -1.519 1.00 0.00 O ATOM 794 CB ARG A 553 -15.532 14.970 -0.025 1.00 0.00 C ATOM 795 CG ARG A 553 -16.361 15.997 0.736 1.00 0.00 C ATOM 796 CD ARG A 553 -15.993 17.424 0.342 1.00 0.00 C ATOM 797 NE ARG A 553 -14.709 17.835 0.916 1.00 0.00 N ATOM 798 CZ ARG A 553 -13.598 18.046 0.208 1.00 0.00 C ATOM 799 NH1 ARG A 553 -13.614 17.917 -1.115 1.00 0.00 N1+ ATOM 800 NH2 ARG A 553 -12.474 18.405 0.824 1.00 0.00 N ATOM 0 H ARG A 553 -14.702 14.175 2.143 1.00 0.00 H new ATOM 0 HA ARG A 553 -16.814 13.326 0.527 1.00 0.00 H new ATOM 0 HB2 ARG A 553 -14.476 15.222 0.077 1.00 0.00 H new ATOM 0 HB3 ARG A 553 -15.774 15.036 -1.086 1.00 0.00 H new ATOM 0 HG2 ARG A 553 -17.420 15.827 0.540 1.00 0.00 H new ATOM 0 HG3 ARG A 553 -16.210 15.865 1.807 1.00 0.00 H new ATOM 0 HD2 ARG A 553 -15.946 17.500 -0.744 1.00 0.00 H new ATOM 0 HD3 ARG A 553 -16.775 18.106 0.676 1.00 0.00 H new ATOM 0 HE ARG A 553 -14.661 17.969 1.926 1.00 0.00 H new ATOM 0 HH11 ARG A 553 -14.477 17.656 -1.592 1.00 0.00 H new ATOM 0 HH12 ARG A 553 -12.763 18.079 -1.654 1.00 0.00 H new ATOM 0 HH21 ARG A 553 -12.462 18.519 1.838 1.00 0.00 H new ATOM 0 HH22 ARG A 553 -11.625 18.566 0.282 1.00 0.00 H new ATOM 814 N GLU A 554 -13.894 12.192 -0.391 1.00 0.00 N ATOM 815 CA GLU A 554 -13.211 11.271 -1.292 1.00 0.00 C ATOM 816 C GLU A 554 -13.474 9.825 -0.880 1.00 0.00 C ATOM 817 O GLU A 554 -13.908 8.999 -1.686 1.00 0.00 O ATOM 818 CB GLU A 554 -11.705 11.540 -1.265 1.00 0.00 C ATOM 819 CG GLU A 554 -11.320 12.949 -1.699 1.00 0.00 C ATOM 820 CD GLU A 554 -11.328 13.145 -3.205 1.00 0.00 C ATOM 821 OE1 GLU A 554 -12.419 13.147 -3.808 1.00 0.00 O1- ATOM 822 OE2 GLU A 554 -10.233 13.301 -3.793 1.00 0.00 O ATOM 0 H GLU A 554 -13.319 12.524 0.384 1.00 0.00 H new ATOM 0 HA GLU A 554 -13.594 11.427 -2.301 1.00 0.00 H new ATOM 0 HB2 GLU A 554 -11.333 11.368 -0.255 1.00 0.00 H new ATOM 0 HB3 GLU A 554 -11.206 10.821 -1.915 1.00 0.00 H new ATOM 0 HG2 GLU A 554 -12.009 13.661 -1.245 1.00 0.00 H new ATOM 0 HG3 GLU A 554 -10.326 13.179 -1.316 1.00 0.00 H new ATOM 829 N TRP A 555 -13.223 9.539 0.393 1.00 0.00 N ATOM 830 CA TRP A 555 -13.230 8.172 0.907 1.00 0.00 C ATOM 831 C TRP A 555 -14.613 7.552 0.932 1.00 0.00 C ATOM 832 O TRP A 555 -14.768 6.360 0.667 1.00 0.00 O ATOM 833 CB TRP A 555 -12.643 8.143 2.304 1.00 0.00 C ATOM 834 CG TRP A 555 -11.435 7.275 2.372 1.00 0.00 C ATOM 835 CD1 TRP A 555 -10.184 7.575 1.928 1.00 0.00 C ATOM 836 CD2 TRP A 555 -11.368 5.945 2.885 1.00 0.00 C ATOM 837 NE1 TRP A 555 -9.350 6.505 2.129 1.00 0.00 N ATOM 838 CE2 TRP A 555 -10.047 5.507 2.715 1.00 0.00 C ATOM 839 CE3 TRP A 555 -12.289 5.080 3.472 1.00 0.00 C ATOM 840 CZ2 TRP A 555 -9.618 4.259 3.103 1.00 0.00 C ATOM 841 CZ3 TRP A 555 -11.856 3.829 3.862 1.00 0.00 C ATOM 842 CH2 TRP A 555 -10.526 3.436 3.671 1.00 0.00 C ATOM 0 H TRP A 555 -13.009 10.246 1.097 1.00 0.00 H new ATOM 0 HA TRP A 555 -12.623 7.579 0.223 1.00 0.00 H new ATOM 0 HB2 TRP A 555 -12.382 9.156 2.611 1.00 0.00 H new ATOM 0 HB3 TRP A 555 -13.393 7.780 3.007 1.00 0.00 H new ATOM 0 HD1 TRP A 555 -9.892 8.515 1.484 1.00 0.00 H new ATOM 0 HE1 TRP A 555 -8.362 6.469 1.877 1.00 0.00 H new ATOM 0 HE3 TRP A 555 -13.316 5.381 3.618 1.00 0.00 H new ATOM 0 HZ2 TRP A 555 -8.594 3.949 2.959 1.00 0.00 H new ATOM 0 HZ3 TRP A 555 -12.553 3.144 4.321 1.00 0.00 H new ATOM 0 HH2 TRP A 555 -10.218 2.450 3.986 1.00 0.00 H new ATOM 853 N SER A 556 -15.600 8.356 1.272 1.00 0.00 N ATOM 854 CA SER A 556 -16.989 7.894 1.310 1.00 0.00 C ATOM 855 C SER A 556 -17.404 7.272 -0.031 1.00 0.00 C ATOM 856 O SER A 556 -18.297 6.426 -0.080 1.00 0.00 O ATOM 857 CB SER A 556 -17.935 9.047 1.677 1.00 0.00 C ATOM 858 OG SER A 556 -19.214 8.562 2.060 1.00 0.00 O ATOM 0 H SER A 556 -15.474 9.335 1.528 1.00 0.00 H new ATOM 0 HA SER A 556 -17.062 7.125 2.079 1.00 0.00 H new ATOM 0 HB2 SER A 556 -17.505 9.628 2.493 1.00 0.00 H new ATOM 0 HB3 SER A 556 -18.039 9.720 0.826 1.00 0.00 H new ATOM 0 HG SER A 556 -19.795 9.317 2.290 1.00 0.00 H new ATOM 864 N ARG A 557 -16.738 7.672 -1.115 1.00 0.00 N ATOM 865 CA ARG A 557 -17.039 7.130 -2.436 1.00 0.00 C ATOM 866 C ARG A 557 -16.327 5.799 -2.656 1.00 0.00 C ATOM 867 O ARG A 557 -16.855 4.914 -3.323 1.00 0.00 O ATOM 868 CB ARG A 557 -16.624 8.103 -3.538 1.00 0.00 C ATOM 869 CG ARG A 557 -17.197 9.503 -3.385 1.00 0.00 C ATOM 870 CD ARG A 557 -16.979 10.334 -4.639 1.00 0.00 C ATOM 871 NE ARG A 557 -15.634 10.159 -5.192 1.00 0.00 N ATOM 872 CZ ARG A 557 -14.636 11.026 -5.017 1.00 0.00 C ATOM 873 NH1 ARG A 557 -14.800 12.092 -4.245 1.00 0.00 N1+ ATOM 874 NH2 ARG A 557 -13.465 10.815 -5.604 1.00 0.00 N ATOM 0 H ARG A 557 -15.991 8.366 -1.103 1.00 0.00 H new ATOM 0 HA ARG A 557 -18.117 6.975 -2.481 1.00 0.00 H new ATOM 0 HB2 ARG A 557 -15.536 8.169 -3.558 1.00 0.00 H new ATOM 0 HB3 ARG A 557 -16.937 7.698 -4.501 1.00 0.00 H new ATOM 0 HG2 ARG A 557 -18.264 9.439 -3.170 1.00 0.00 H new ATOM 0 HG3 ARG A 557 -16.730 9.998 -2.534 1.00 0.00 H new ATOM 0 HD2 ARG A 557 -17.718 10.055 -5.390 1.00 0.00 H new ATOM 0 HD3 ARG A 557 -17.141 11.387 -4.408 1.00 0.00 H new ATOM 0 HE ARG A 557 -15.449 9.322 -5.745 1.00 0.00 H new ATOM 0 HH11 ARG A 557 -15.694 12.253 -3.781 1.00 0.00 H new ATOM 0 HH12 ARG A 557 -14.032 12.751 -4.116 1.00 0.00 H new ATOM 0 HH21 ARG A 557 -13.329 9.990 -6.189 1.00 0.00 H new ATOM 0 HH22 ARG A 557 -12.701 11.478 -5.471 1.00 0.00 H new ATOM 888 N LEU A 558 -15.134 5.659 -2.081 1.00 0.00 N ATOM 889 CA LEU A 558 -14.311 4.473 -2.307 1.00 0.00 C ATOM 890 C LEU A 558 -14.994 3.238 -1.731 1.00 0.00 C ATOM 891 O LEU A 558 -15.144 2.228 -2.406 1.00 0.00 O ATOM 892 CB LEU A 558 -12.913 4.636 -1.685 1.00 0.00 C ATOM 893 CG LEU A 558 -12.252 6.003 -1.881 1.00 0.00 C ATOM 894 CD1 LEU A 558 -10.906 6.048 -1.172 1.00 0.00 C ATOM 895 CD2 LEU A 558 -12.088 6.319 -3.360 1.00 0.00 C ATOM 0 H LEU A 558 -14.717 6.350 -1.457 1.00 0.00 H new ATOM 0 HA LEU A 558 -14.193 4.350 -3.384 1.00 0.00 H new ATOM 0 HB2 LEU A 558 -12.987 4.439 -0.615 1.00 0.00 H new ATOM 0 HB3 LEU A 558 -12.258 3.873 -2.105 1.00 0.00 H new ATOM 0 HG LEU A 558 -12.901 6.762 -1.443 1.00 0.00 H new ATOM 0 HD11 LEU A 558 -10.449 7.026 -1.321 1.00 0.00 H new ATOM 0 HD12 LEU A 558 -11.050 5.873 -0.106 1.00 0.00 H new ATOM 0 HD13 LEU A 558 -10.253 5.277 -1.581 1.00 0.00 H new ATOM 0 HD21 LEU A 558 -11.616 7.295 -3.473 1.00 0.00 H new ATOM 0 HD22 LEU A 558 -11.464 5.558 -3.828 1.00 0.00 H new ATOM 0 HD23 LEU A 558 -13.066 6.331 -3.840 1.00 0.00 H new ATOM 907 N LEU A 559 -15.414 3.324 -0.479 1.00 0.00 N ATOM 908 CA LEU A 559 -16.129 2.239 0.160 1.00 0.00 C ATOM 909 C LEU A 559 -17.524 2.062 -0.437 1.00 0.00 C ATOM 910 O LEU A 559 -18.160 1.022 -0.259 1.00 0.00 O ATOM 911 CB LEU A 559 -16.221 2.515 1.654 1.00 0.00 C ATOM 912 CG LEU A 559 -15.006 2.098 2.491 1.00 0.00 C ATOM 913 CD1 LEU A 559 -15.148 0.661 2.964 1.00 0.00 C ATOM 914 CD2 LEU A 559 -13.712 2.249 1.710 1.00 0.00 C ATOM 0 H LEU A 559 -15.269 4.140 0.115 1.00 0.00 H new ATOM 0 HA LEU A 559 -15.583 1.311 -0.010 1.00 0.00 H new ATOM 0 HB2 LEU A 559 -16.386 3.583 1.796 1.00 0.00 H new ATOM 0 HB3 LEU A 559 -17.100 2.002 2.045 1.00 0.00 H new ATOM 0 HG LEU A 559 -14.967 2.761 3.355 1.00 0.00 H new ATOM 0 HD11 LEU A 559 -14.275 0.385 3.556 1.00 0.00 H new ATOM 0 HD12 LEU A 559 -16.046 0.566 3.575 1.00 0.00 H new ATOM 0 HD13 LEU A 559 -15.225 -0.000 2.101 1.00 0.00 H new ATOM 0 HD21 LEU A 559 -12.872 1.944 2.335 1.00 0.00 H new ATOM 0 HD22 LEU A 559 -13.749 1.621 0.820 1.00 0.00 H new ATOM 0 HD23 LEU A 559 -13.585 3.290 1.414 1.00 0.00 H new ATOM 926 N GLY A 560 -17.987 3.080 -1.155 1.00 0.00 N ATOM 927 CA GLY A 560 -19.298 3.024 -1.767 1.00 0.00 C ATOM 928 C GLY A 560 -19.263 2.353 -3.124 1.00 0.00 C ATOM 929 O GLY A 560 -20.172 1.598 -3.475 1.00 0.00 O ATOM 0 H GLY A 560 -17.474 3.945 -1.323 1.00 0.00 H new ATOM 0 HA2 GLY A 560 -19.981 2.482 -1.112 1.00 0.00 H new ATOM 0 HA3 GLY A 560 -19.692 4.035 -1.873 1.00 0.00 H new ATOM 933 N ASP A 561 -18.208 2.616 -3.887 1.00 0.00 N ATOM 934 CA ASP A 561 -18.060 2.023 -5.208 1.00 0.00 C ATOM 935 C ASP A 561 -16.735 1.279 -5.335 1.00 0.00 C ATOM 936 O ASP A 561 -15.678 1.798 -4.983 1.00 0.00 O ATOM 937 CB ASP A 561 -18.158 3.080 -6.298 1.00 0.00 C ATOM 938 CG ASP A 561 -18.057 2.467 -7.677 1.00 0.00 C ATOM 939 OD1 ASP A 561 -19.075 1.937 -8.168 1.00 0.00 O ATOM 940 OD2 ASP A 561 -16.958 2.495 -8.264 1.00 0.00 O1- ATOM 0 H ASP A 561 -17.445 3.235 -3.613 1.00 0.00 H new ATOM 0 HA ASP A 561 -18.875 1.310 -5.333 1.00 0.00 H new ATOM 0 HB2 ASP A 561 -19.104 3.614 -6.205 1.00 0.00 H new ATOM 0 HB3 ASP A 561 -17.363 3.814 -6.166 1.00 0.00 H new ATOM 945 N ALA A 562 -16.799 0.088 -5.906 1.00 0.00 N ATOM 946 CA ALA A 562 -15.668 -0.827 -5.920 1.00 0.00 C ATOM 947 C ALA A 562 -14.603 -0.364 -6.895 1.00 0.00 C ATOM 948 O ALA A 562 -13.411 -0.575 -6.675 1.00 0.00 O ATOM 949 CB ALA A 562 -16.135 -2.232 -6.267 1.00 0.00 C ATOM 0 H ALA A 562 -17.632 -0.272 -6.371 1.00 0.00 H new ATOM 0 HA ALA A 562 -15.226 -0.839 -4.924 1.00 0.00 H new ATOM 0 HB1 ALA A 562 -15.280 -2.908 -6.275 1.00 0.00 H new ATOM 0 HB2 ALA A 562 -16.858 -2.569 -5.524 1.00 0.00 H new ATOM 0 HB3 ALA A 562 -16.602 -2.227 -7.252 1.00 0.00 H new ATOM 955 N LYS A 563 -15.034 0.291 -7.961 1.00 0.00 N ATOM 956 CA LYS A 563 -14.111 0.772 -8.969 1.00 0.00 C ATOM 957 C LYS A 563 -13.310 1.936 -8.420 1.00 0.00 C ATOM 958 O LYS A 563 -12.116 2.062 -8.692 1.00 0.00 O ATOM 959 CB LYS A 563 -14.837 1.207 -10.247 1.00 0.00 C ATOM 960 CG LYS A 563 -15.684 0.122 -10.897 1.00 0.00 C ATOM 961 CD LYS A 563 -17.052 -0.007 -10.246 1.00 0.00 C ATOM 962 CE LYS A 563 -17.923 -1.019 -10.972 1.00 0.00 C ATOM 963 NZ LYS A 563 -19.283 -1.110 -10.375 1.00 0.00 N1+ ATOM 0 H LYS A 563 -16.015 0.500 -8.148 1.00 0.00 H new ATOM 0 HA LYS A 563 -13.445 -0.052 -9.225 1.00 0.00 H new ATOM 0 HB2 LYS A 563 -15.477 2.058 -10.013 1.00 0.00 H new ATOM 0 HB3 LYS A 563 -14.097 1.553 -10.969 1.00 0.00 H new ATOM 0 HG2 LYS A 563 -15.808 0.346 -11.957 1.00 0.00 H new ATOM 0 HG3 LYS A 563 -15.161 -0.832 -10.832 1.00 0.00 H new ATOM 0 HD2 LYS A 563 -16.933 -0.308 -9.205 1.00 0.00 H new ATOM 0 HD3 LYS A 563 -17.547 0.964 -10.242 1.00 0.00 H new ATOM 0 HE2 LYS A 563 -18.006 -0.740 -12.022 1.00 0.00 H new ATOM 0 HE3 LYS A 563 -17.446 -1.998 -10.939 1.00 0.00 H new ATOM 0 HZ1 LYS A 563 -19.846 -1.811 -10.898 1.00 0.00 H new ATOM 0 HZ2 LYS A 563 -19.206 -1.401 -9.380 1.00 0.00 H new ATOM 0 HZ3 LYS A 563 -19.749 -0.182 -10.429 1.00 0.00 H new ATOM 977 N GLU A 564 -13.963 2.771 -7.619 1.00 0.00 N ATOM 978 CA GLU A 564 -13.295 3.942 -7.061 1.00 0.00 C ATOM 979 C GLU A 564 -12.260 3.527 -6.022 1.00 0.00 C ATOM 980 O GLU A 564 -11.203 4.149 -5.906 1.00 0.00 O ATOM 981 CB GLU A 564 -14.301 4.930 -6.461 1.00 0.00 C ATOM 982 CG GLU A 564 -15.123 5.668 -7.510 1.00 0.00 C ATOM 983 CD GLU A 564 -15.941 6.808 -6.935 1.00 0.00 C ATOM 984 OE1 GLU A 564 -15.415 7.941 -6.845 1.00 0.00 O1- ATOM 985 OE2 GLU A 564 -17.122 6.585 -6.604 1.00 0.00 O ATOM 0 H GLU A 564 -14.939 2.662 -7.344 1.00 0.00 H new ATOM 0 HA GLU A 564 -12.781 4.450 -7.877 1.00 0.00 H new ATOM 0 HB2 GLU A 564 -14.975 4.391 -5.795 1.00 0.00 H new ATOM 0 HB3 GLU A 564 -13.765 5.658 -5.852 1.00 0.00 H new ATOM 0 HG2 GLU A 564 -14.454 6.060 -8.276 1.00 0.00 H new ATOM 0 HG3 GLU A 564 -15.792 4.961 -8.001 1.00 0.00 H new ATOM 992 N LEU A 565 -12.551 2.464 -5.283 1.00 0.00 N ATOM 993 CA LEU A 565 -11.627 1.955 -4.299 1.00 0.00 C ATOM 994 C LEU A 565 -10.488 1.199 -4.978 1.00 0.00 C ATOM 995 O LEU A 565 -9.310 1.423 -4.678 1.00 0.00 O ATOM 996 CB LEU A 565 -12.363 1.038 -3.328 1.00 0.00 C ATOM 997 CG LEU A 565 -12.063 1.295 -1.860 1.00 0.00 C ATOM 998 CD1 LEU A 565 -12.736 0.251 -0.997 1.00 0.00 C ATOM 999 CD2 LEU A 565 -10.568 1.324 -1.627 1.00 0.00 C ATOM 0 H LEU A 565 -13.424 1.942 -5.353 1.00 0.00 H new ATOM 0 HA LEU A 565 -11.202 2.793 -3.747 1.00 0.00 H new ATOM 0 HB2 LEU A 565 -13.436 1.146 -3.490 1.00 0.00 H new ATOM 0 HB3 LEU A 565 -12.108 0.004 -3.561 1.00 0.00 H new ATOM 0 HG LEU A 565 -12.464 2.269 -1.580 1.00 0.00 H new ATOM 0 HD11 LEU A 565 -12.513 0.447 0.052 1.00 0.00 H new ATOM 0 HD12 LEU A 565 -13.814 0.291 -1.152 1.00 0.00 H new ATOM 0 HD13 LEU A 565 -12.367 -0.738 -1.268 1.00 0.00 H new ATOM 0 HD21 LEU A 565 -10.368 1.509 -0.572 1.00 0.00 H new ATOM 0 HD22 LEU A 565 -10.136 0.366 -1.916 1.00 0.00 H new ATOM 0 HD23 LEU A 565 -10.122 2.118 -2.226 1.00 0.00 H new ATOM 1011 N ALA A 566 -10.849 0.323 -5.911 1.00 0.00 N ATOM 1012 CA ALA A 566 -9.878 -0.511 -6.607 1.00 0.00 C ATOM 1013 C ALA A 566 -8.853 0.333 -7.353 1.00 0.00 C ATOM 1014 O ALA A 566 -7.691 -0.053 -7.463 1.00 0.00 O ATOM 1015 CB ALA A 566 -10.584 -1.447 -7.572 1.00 0.00 C ATOM 0 H ALA A 566 -11.815 0.173 -6.203 1.00 0.00 H new ATOM 0 HA ALA A 566 -9.348 -1.101 -5.859 1.00 0.00 H new ATOM 0 HB1 ALA A 566 -9.847 -2.064 -8.085 1.00 0.00 H new ATOM 0 HB2 ALA A 566 -11.272 -2.087 -7.020 1.00 0.00 H new ATOM 0 HB3 ALA A 566 -11.141 -0.862 -8.304 1.00 0.00 H new ATOM 1021 N ASN A 567 -9.292 1.479 -7.865 1.00 0.00 N ATOM 1022 CA ASN A 567 -8.411 2.396 -8.582 1.00 0.00 C ATOM 1023 C ASN A 567 -7.220 2.799 -7.718 1.00 0.00 C ATOM 1024 O ASN A 567 -6.067 2.662 -8.126 1.00 0.00 O ATOM 1025 CB ASN A 567 -9.186 3.643 -9.023 1.00 0.00 C ATOM 1026 CG ASN A 567 -8.279 4.730 -9.576 1.00 0.00 C ATOM 1027 OD1 ASN A 567 -7.800 5.587 -8.835 1.00 0.00 O ATOM 1028 ND2 ASN A 567 -8.040 4.707 -10.879 1.00 0.00 N ATOM 0 H ASN A 567 -10.259 1.796 -7.796 1.00 0.00 H new ATOM 0 HA ASN A 567 -8.034 1.880 -9.465 1.00 0.00 H new ATOM 0 HB2 ASN A 567 -9.916 3.363 -9.783 1.00 0.00 H new ATOM 0 HB3 ASN A 567 -9.745 4.038 -8.174 1.00 0.00 H new ATOM 0 HD21 ASN A 567 -7.440 5.417 -11.300 1.00 0.00 H new ATOM 0 HD22 ASN A 567 -8.456 3.980 -11.461 1.00 0.00 H new ATOM 1035 N ILE A 568 -7.508 3.277 -6.519 1.00 0.00 N ATOM 1036 CA ILE A 568 -6.473 3.719 -5.596 1.00 0.00 C ATOM 1037 C ILE A 568 -5.705 2.527 -5.050 1.00 0.00 C ATOM 1038 O ILE A 568 -4.476 2.531 -5.035 1.00 0.00 O ATOM 1039 CB ILE A 568 -7.074 4.531 -4.426 1.00 0.00 C ATOM 1040 CG1 ILE A 568 -7.681 5.835 -4.954 1.00 0.00 C ATOM 1041 CG2 ILE A 568 -6.019 4.813 -3.360 1.00 0.00 C ATOM 1042 CD1 ILE A 568 -8.350 6.680 -3.890 1.00 0.00 C ATOM 0 H ILE A 568 -8.458 3.370 -6.159 1.00 0.00 H new ATOM 0 HA ILE A 568 -5.791 4.365 -6.149 1.00 0.00 H new ATOM 0 HB ILE A 568 -7.864 3.941 -3.961 1.00 0.00 H new ATOM 0 HG12 ILE A 568 -6.896 6.423 -5.429 1.00 0.00 H new ATOM 0 HG13 ILE A 568 -8.412 5.596 -5.726 1.00 0.00 H new ATOM 0 HG21 ILE A 568 -6.467 5.386 -2.548 1.00 0.00 H new ATOM 0 HG22 ILE A 568 -5.634 3.870 -2.971 1.00 0.00 H new ATOM 0 HG23 ILE A 568 -5.202 5.385 -3.799 1.00 0.00 H new ATOM 0 HD11 ILE A 568 -8.754 7.585 -4.344 1.00 0.00 H new ATOM 0 HD12 ILE A 568 -9.159 6.113 -3.430 1.00 0.00 H new ATOM 0 HD13 ILE A 568 -7.619 6.952 -3.128 1.00 0.00 H new ATOM 1054 N LEU A 569 -6.443 1.502 -4.625 1.00 0.00 N ATOM 1055 CA LEU A 569 -5.841 0.281 -4.088 1.00 0.00 C ATOM 1056 C LEU A 569 -4.786 -0.292 -5.046 1.00 0.00 C ATOM 1057 O LEU A 569 -3.778 -0.845 -4.609 1.00 0.00 O ATOM 1058 CB LEU A 569 -6.931 -0.766 -3.834 1.00 0.00 C ATOM 1059 CG LEU A 569 -6.900 -1.454 -2.462 1.00 0.00 C ATOM 1060 CD1 LEU A 569 -5.543 -2.084 -2.186 1.00 0.00 C ATOM 1061 CD2 LEU A 569 -7.273 -0.470 -1.362 1.00 0.00 C ATOM 0 H LEU A 569 -7.463 1.493 -4.642 1.00 0.00 H new ATOM 0 HA LEU A 569 -5.346 0.533 -3.150 1.00 0.00 H new ATOM 0 HB2 LEU A 569 -7.902 -0.286 -3.955 1.00 0.00 H new ATOM 0 HB3 LEU A 569 -6.856 -1.533 -4.604 1.00 0.00 H new ATOM 0 HG LEU A 569 -7.638 -2.256 -2.474 1.00 0.00 H new ATOM 0 HD11 LEU A 569 -5.556 -2.562 -1.207 1.00 0.00 H new ATOM 0 HD12 LEU A 569 -5.326 -2.830 -2.951 1.00 0.00 H new ATOM 0 HD13 LEU A 569 -4.773 -1.312 -2.202 1.00 0.00 H new ATOM 0 HD21 LEU A 569 -7.246 -0.976 -0.397 1.00 0.00 H new ATOM 0 HD22 LEU A 569 -6.564 0.358 -1.358 1.00 0.00 H new ATOM 0 HD23 LEU A 569 -8.277 -0.086 -1.542 1.00 0.00 H new ATOM 1073 N LYS A 570 -5.014 -0.145 -6.351 1.00 0.00 N ATOM 1074 CA LYS A 570 -4.100 -0.700 -7.348 1.00 0.00 C ATOM 1075 C LYS A 570 -2.752 0.029 -7.379 1.00 0.00 C ATOM 1076 O LYS A 570 -1.742 -0.551 -7.773 1.00 0.00 O ATOM 1077 CB LYS A 570 -4.723 -0.674 -8.747 1.00 0.00 C ATOM 1078 CG LYS A 570 -5.725 -1.787 -9.006 1.00 0.00 C ATOM 1079 CD LYS A 570 -5.989 -1.944 -10.497 1.00 0.00 C ATOM 1080 CE LYS A 570 -6.950 -3.081 -10.788 1.00 0.00 C ATOM 1081 NZ LYS A 570 -8.350 -2.733 -10.437 1.00 0.00 N1+ ATOM 0 H LYS A 570 -5.817 0.350 -6.740 1.00 0.00 H new ATOM 0 HA LYS A 570 -3.919 -1.733 -7.050 1.00 0.00 H new ATOM 0 HB2 LYS A 570 -5.218 0.286 -8.894 1.00 0.00 H new ATOM 0 HB3 LYS A 570 -3.926 -0.739 -9.488 1.00 0.00 H new ATOM 0 HG2 LYS A 570 -5.346 -2.725 -8.599 1.00 0.00 H new ATOM 0 HG3 LYS A 570 -6.659 -1.569 -8.488 1.00 0.00 H new ATOM 0 HD2 LYS A 570 -6.397 -1.014 -10.893 1.00 0.00 H new ATOM 0 HD3 LYS A 570 -5.047 -2.124 -11.015 1.00 0.00 H new ATOM 0 HE2 LYS A 570 -6.895 -3.339 -11.846 1.00 0.00 H new ATOM 0 HE3 LYS A 570 -6.645 -3.965 -10.228 1.00 0.00 H new ATOM 0 HZ1 LYS A 570 -8.808 -3.550 -9.985 1.00 0.00 H new ATOM 0 HZ2 LYS A 570 -8.353 -1.927 -9.779 1.00 0.00 H new ATOM 0 HZ3 LYS A 570 -8.871 -2.477 -11.300 1.00 0.00 H new ATOM 1095 N TYR A 571 -2.728 1.289 -6.974 1.00 0.00 N ATOM 1096 CA TYR A 571 -1.503 2.075 -7.052 1.00 0.00 C ATOM 1097 C TYR A 571 -0.580 1.754 -5.879 1.00 0.00 C ATOM 1098 O TYR A 571 0.618 2.019 -5.927 1.00 0.00 O ATOM 1099 CB TYR A 571 -1.834 3.572 -7.120 1.00 0.00 C ATOM 1100 CG TYR A 571 -0.640 4.489 -6.962 1.00 0.00 C ATOM 1101 CD1 TYR A 571 0.343 4.558 -7.941 1.00 0.00 C ATOM 1102 CD2 TYR A 571 -0.488 5.274 -5.826 1.00 0.00 C ATOM 1103 CE1 TYR A 571 1.437 5.388 -7.797 1.00 0.00 C ATOM 1104 CE2 TYR A 571 0.606 6.106 -5.673 1.00 0.00 C ATOM 1105 CZ TYR A 571 1.566 6.158 -6.659 1.00 0.00 C ATOM 1106 OH TYR A 571 2.663 6.975 -6.502 1.00 0.00 O ATOM 0 H TYR A 571 -3.532 1.787 -6.592 1.00 0.00 H new ATOM 0 HA TYR A 571 -0.972 1.809 -7.966 1.00 0.00 H new ATOM 0 HB2 TYR A 571 -2.313 3.782 -8.077 1.00 0.00 H new ATOM 0 HB3 TYR A 571 -2.561 3.806 -6.342 1.00 0.00 H new ATOM 0 HD1 TYR A 571 0.250 3.952 -8.830 1.00 0.00 H new ATOM 0 HD2 TYR A 571 -1.237 5.234 -5.049 1.00 0.00 H new ATOM 0 HE1 TYR A 571 2.188 5.434 -8.571 1.00 0.00 H new ATOM 0 HE2 TYR A 571 0.707 6.712 -4.785 1.00 0.00 H new ATOM 0 HH TYR A 571 3.301 6.809 -7.227 1.00 0.00 H new ATOM 1116 N HIS A 572 -1.135 1.140 -4.850 1.00 0.00 N ATOM 1117 CA HIS A 572 -0.356 0.750 -3.680 1.00 0.00 C ATOM 1118 C HIS A 572 0.414 -0.539 -3.934 1.00 0.00 C ATOM 1119 O HIS A 572 1.222 -0.966 -3.109 1.00 0.00 O ATOM 1120 CB HIS A 572 -1.275 0.575 -2.471 1.00 0.00 C ATOM 1121 CG HIS A 572 -1.729 1.873 -1.880 1.00 0.00 C ATOM 1122 ND1 HIS A 572 -1.550 2.353 -0.630 1.00 0.00 N flip ATOM 1123 CD2 HIS A 572 -2.386 2.814 -2.631 1.00 0.00 C flip ATOM 1124 CE1 HIS A 572 -2.091 3.611 -0.601 1.00 0.00 C flip ATOM 1125 NE2 HIS A 572 -2.580 3.841 -1.831 1.00 0.00 N flip ATOM 0 H HIS A 572 -2.125 0.898 -4.797 1.00 0.00 H new ATOM 0 HA HIS A 572 0.364 1.543 -3.477 1.00 0.00 H new ATOM 0 HB2 HIS A 572 -2.148 -0.006 -2.768 1.00 0.00 H new ATOM 0 HB3 HIS A 572 -0.753 -0.001 -1.707 1.00 0.00 H new ATOM 0 HD2 HIS A 572 -2.683 2.730 -3.666 1.00 0.00 H new ATOM 0 HE1 HIS A 572 -2.119 4.284 0.243 1.00 0.00 H new ATOM 0 HE2 HIS A 572 -3.044 4.705 -2.110 1.00 0.00 H new ATOM 1133 N ILE A 573 0.164 -1.150 -5.082 1.00 0.00 N ATOM 1134 CA ILE A 573 0.759 -2.431 -5.419 1.00 0.00 C ATOM 1135 C ILE A 573 1.657 -2.312 -6.649 1.00 0.00 C ATOM 1136 O ILE A 573 1.187 -1.969 -7.734 1.00 0.00 O ATOM 1137 CB ILE A 573 -0.339 -3.478 -5.686 1.00 0.00 C ATOM 1138 CG1 ILE A 573 -1.254 -3.608 -4.466 1.00 0.00 C ATOM 1139 CG2 ILE A 573 0.279 -4.822 -6.052 1.00 0.00 C ATOM 1140 CD1 ILE A 573 -2.528 -4.376 -4.737 1.00 0.00 C ATOM 0 H ILE A 573 -0.453 -0.773 -5.801 1.00 0.00 H new ATOM 0 HA ILE A 573 1.366 -2.749 -4.572 1.00 0.00 H new ATOM 0 HB ILE A 573 -0.941 -3.145 -6.531 1.00 0.00 H new ATOM 0 HG12 ILE A 573 -0.706 -4.103 -3.664 1.00 0.00 H new ATOM 0 HG13 ILE A 573 -1.511 -2.611 -4.109 1.00 0.00 H new ATOM 0 HG21 ILE A 573 -0.513 -5.548 -6.237 1.00 0.00 H new ATOM 0 HG22 ILE A 573 0.886 -4.711 -6.950 1.00 0.00 H new ATOM 0 HG23 ILE A 573 0.906 -5.170 -5.231 1.00 0.00 H new ATOM 0 HD11 ILE A 573 -3.124 -4.426 -3.826 1.00 0.00 H new ATOM 0 HD12 ILE A 573 -3.099 -3.871 -5.516 1.00 0.00 H new ATOM 0 HD13 ILE A 573 -2.281 -5.386 -5.065 1.00 0.00 H new ATOM 1152 N GLY A 574 2.944 -2.583 -6.465 1.00 0.00 N ATOM 1153 CA GLY A 574 3.885 -2.554 -7.574 1.00 0.00 C ATOM 1154 C GLY A 574 3.997 -3.897 -8.283 1.00 0.00 C ATOM 1155 O GLY A 574 3.533 -4.912 -7.761 1.00 0.00 O ATOM 0 H GLY A 574 3.356 -2.824 -5.564 1.00 0.00 H new ATOM 0 HA2 GLY A 574 3.573 -1.794 -8.290 1.00 0.00 H new ATOM 0 HA3 GLY A 574 4.867 -2.259 -7.204 1.00 0.00 H new ATOM 1159 N ASP A 575 4.634 -3.898 -9.462 1.00 0.00 N ATOM 1160 CA ASP A 575 4.737 -5.088 -10.312 1.00 0.00 C ATOM 1161 C ASP A 575 5.329 -6.280 -9.575 1.00 0.00 C ATOM 1162 O ASP A 575 4.880 -7.415 -9.733 1.00 0.00 O ATOM 1163 CB ASP A 575 5.642 -4.831 -11.519 1.00 0.00 C ATOM 1164 CG ASP A 575 5.419 -3.508 -12.212 1.00 0.00 C ATOM 1165 OD1 ASP A 575 4.354 -3.327 -12.839 1.00 0.00 O ATOM 1166 OD2 ASP A 575 6.343 -2.665 -12.169 1.00 0.00 O1- ATOM 0 H ASP A 575 5.091 -3.074 -9.851 1.00 0.00 H new ATOM 0 HA ASP A 575 3.715 -5.308 -10.621 1.00 0.00 H new ATOM 0 HB2 ASP A 575 6.681 -4.883 -11.193 1.00 0.00 H new ATOM 0 HB3 ASP A 575 5.494 -5.633 -12.242 1.00 0.00 H new ATOM 1171 N GLU A 576 6.357 -6.017 -8.796 1.00 0.00 N ATOM 1172 CA GLU A 576 7.178 -7.071 -8.234 1.00 0.00 C ATOM 1173 C GLU A 576 7.793 -6.631 -6.930 1.00 0.00 C ATOM 1174 O GLU A 576 7.526 -5.529 -6.457 1.00 0.00 O ATOM 1175 CB GLU A 576 8.264 -7.442 -9.235 1.00 0.00 C ATOM 1176 CG GLU A 576 9.108 -6.255 -9.655 1.00 0.00 C ATOM 1177 CD GLU A 576 10.113 -6.605 -10.725 1.00 0.00 C ATOM 1178 OE1 GLU A 576 11.137 -7.239 -10.399 1.00 0.00 O ATOM 1179 OE2 GLU A 576 9.889 -6.239 -11.900 1.00 0.00 O1- ATOM 0 H GLU A 576 6.646 -5.074 -8.535 1.00 0.00 H new ATOM 0 HA GLU A 576 6.555 -7.942 -8.032 1.00 0.00 H new ATOM 0 HB2 GLU A 576 8.909 -8.204 -8.798 1.00 0.00 H new ATOM 0 HB3 GLU A 576 7.802 -7.884 -10.118 1.00 0.00 H new ATOM 0 HG2 GLU A 576 8.456 -5.462 -10.020 1.00 0.00 H new ATOM 0 HG3 GLU A 576 9.632 -5.861 -8.784 1.00 0.00 H new ATOM 1186 N ILE A 577 8.623 -7.489 -6.357 1.00 0.00 N ATOM 1187 CA ILE A 577 9.156 -7.241 -5.037 1.00 0.00 C ATOM 1188 C ILE A 577 10.354 -6.300 -5.091 1.00 0.00 C ATOM 1189 O ILE A 577 11.370 -6.610 -5.711 1.00 0.00 O ATOM 1190 CB ILE A 577 9.586 -8.544 -4.327 1.00 0.00 C ATOM 1191 CG1 ILE A 577 8.434 -9.550 -4.308 1.00 0.00 C ATOM 1192 CG2 ILE A 577 10.054 -8.250 -2.908 1.00 0.00 C ATOM 1193 CD1 ILE A 577 8.817 -10.905 -3.755 1.00 0.00 C ATOM 0 H ILE A 577 8.938 -8.358 -6.788 1.00 0.00 H new ATOM 0 HA ILE A 577 8.349 -6.779 -4.469 1.00 0.00 H new ATOM 0 HB ILE A 577 10.417 -8.978 -4.883 1.00 0.00 H new ATOM 0 HG12 ILE A 577 7.617 -9.142 -3.712 1.00 0.00 H new ATOM 0 HG13 ILE A 577 8.056 -9.675 -5.323 1.00 0.00 H new ATOM 0 HG21 ILE A 577 10.353 -9.180 -2.424 1.00 0.00 H new ATOM 0 HG22 ILE A 577 10.903 -7.568 -2.939 1.00 0.00 H new ATOM 0 HG23 ILE A 577 9.241 -7.792 -2.344 1.00 0.00 H new ATOM 0 HD11 ILE A 577 7.949 -11.564 -3.773 1.00 0.00 H new ATOM 0 HD12 ILE A 577 9.612 -11.335 -4.364 1.00 0.00 H new ATOM 0 HD13 ILE A 577 9.166 -10.794 -2.728 1.00 0.00 H new ATOM 1205 N LEU A 578 10.220 -5.155 -4.450 1.00 0.00 N ATOM 1206 CA LEU A 578 11.328 -4.231 -4.291 1.00 0.00 C ATOM 1207 C LEU A 578 11.603 -4.067 -2.802 1.00 0.00 C ATOM 1208 O LEU A 578 10.967 -3.265 -2.122 1.00 0.00 O ATOM 1209 CB LEU A 578 11.004 -2.882 -4.952 1.00 0.00 C ATOM 1210 CG LEU A 578 12.210 -2.017 -5.351 1.00 0.00 C ATOM 1211 CD1 LEU A 578 11.764 -0.882 -6.257 1.00 0.00 C ATOM 1212 CD2 LEU A 578 12.918 -1.458 -4.126 1.00 0.00 C ATOM 0 H LEU A 578 9.347 -4.840 -4.027 1.00 0.00 H new ATOM 0 HA LEU A 578 12.219 -4.623 -4.783 1.00 0.00 H new ATOM 0 HB2 LEU A 578 10.408 -3.072 -5.845 1.00 0.00 H new ATOM 0 HB3 LEU A 578 10.380 -2.306 -4.268 1.00 0.00 H new ATOM 0 HG LEU A 578 12.914 -2.651 -5.889 1.00 0.00 H new ATOM 0 HD11 LEU A 578 12.627 -0.276 -6.533 1.00 0.00 H new ATOM 0 HD12 LEU A 578 11.307 -1.293 -7.157 1.00 0.00 H new ATOM 0 HD13 LEU A 578 11.038 -0.261 -5.732 1.00 0.00 H new ATOM 0 HD21 LEU A 578 13.766 -0.851 -4.442 1.00 0.00 H new ATOM 0 HD22 LEU A 578 12.224 -0.842 -3.554 1.00 0.00 H new ATOM 0 HD23 LEU A 578 13.272 -2.280 -3.504 1.00 0.00 H new ATOM 1224 N VAL A 579 12.525 -4.868 -2.292 1.00 0.00 N ATOM 1225 CA VAL A 579 12.821 -4.878 -0.870 1.00 0.00 C ATOM 1226 C VAL A 579 13.596 -3.637 -0.451 1.00 0.00 C ATOM 1227 O VAL A 579 14.103 -2.894 -1.290 1.00 0.00 O ATOM 1228 CB VAL A 579 13.611 -6.137 -0.470 1.00 0.00 C ATOM 1229 CG1 VAL A 579 12.733 -7.371 -0.602 1.00 0.00 C ATOM 1230 CG2 VAL A 579 14.871 -6.269 -1.315 1.00 0.00 C ATOM 0 H VAL A 579 13.082 -5.521 -2.844 1.00 0.00 H new ATOM 0 HA VAL A 579 11.863 -4.883 -0.351 1.00 0.00 H new ATOM 0 HB VAL A 579 13.916 -6.044 0.572 1.00 0.00 H new ATOM 0 HG11 VAL A 579 13.303 -8.255 -0.316 1.00 0.00 H new ATOM 0 HG12 VAL A 579 11.866 -7.272 0.051 1.00 0.00 H new ATOM 0 HG13 VAL A 579 12.400 -7.472 -1.635 1.00 0.00 H new ATOM 0 HG21 VAL A 579 15.416 -7.165 -1.018 1.00 0.00 H new ATOM 0 HG22 VAL A 579 14.597 -6.343 -2.367 1.00 0.00 H new ATOM 0 HG23 VAL A 579 15.503 -5.393 -1.166 1.00 0.00 H new ATOM 1240 N SER A 580 13.691 -3.425 0.854 1.00 0.00 N ATOM 1241 CA SER A 580 14.387 -2.269 1.402 1.00 0.00 C ATOM 1242 C SER A 580 15.869 -2.287 1.027 1.00 0.00 C ATOM 1243 O SER A 580 16.516 -1.242 0.986 1.00 0.00 O ATOM 1244 CB SER A 580 14.221 -2.213 2.924 1.00 0.00 C ATOM 1245 OG SER A 580 14.679 -0.976 3.445 1.00 0.00 O ATOM 0 H SER A 580 13.291 -4.045 1.559 1.00 0.00 H new ATOM 0 HA SER A 580 13.941 -1.374 0.969 1.00 0.00 H new ATOM 0 HB2 SER A 580 13.172 -2.354 3.183 1.00 0.00 H new ATOM 0 HB3 SER A 580 14.775 -3.032 3.383 1.00 0.00 H new ATOM 0 HG SER A 580 14.560 -0.967 4.418 1.00 0.00 H new ATOM 1251 N GLY A 581 16.399 -3.473 0.744 1.00 0.00 N ATOM 1252 CA GLY A 581 17.767 -3.582 0.272 1.00 0.00 C ATOM 1253 C GLY A 581 17.924 -3.060 -1.146 1.00 0.00 C ATOM 1254 O GLY A 581 19.040 -2.900 -1.643 1.00 0.00 O ATOM 0 H GLY A 581 15.905 -4.361 0.833 1.00 0.00 H new ATOM 0 HA2 GLY A 581 18.426 -3.025 0.938 1.00 0.00 H new ATOM 0 HA3 GLY A 581 18.082 -4.625 0.311 1.00 0.00 H new ATOM 1258 N GLY A 582 16.797 -2.808 -1.801 1.00 0.00 N ATOM 1259 CA GLY A 582 16.809 -2.205 -3.115 1.00 0.00 C ATOM 1260 C GLY A 582 16.517 -0.721 -3.040 1.00 0.00 C ATOM 1261 O GLY A 582 16.786 0.029 -3.979 1.00 0.00 O ATOM 0 H GLY A 582 15.866 -3.014 -1.438 1.00 0.00 H new ATOM 0 HA2 GLY A 582 17.781 -2.364 -3.582 1.00 0.00 H new ATOM 0 HA3 GLY A 582 16.068 -2.692 -3.748 1.00 0.00 H new ATOM 1265 N ILE A 583 15.958 -0.303 -1.909 1.00 0.00 N ATOM 1266 CA ILE A 583 15.673 1.098 -1.650 1.00 0.00 C ATOM 1267 C ILE A 583 16.969 1.869 -1.409 1.00 0.00 C ATOM 1268 O ILE A 583 17.515 1.877 -0.303 1.00 0.00 O ATOM 1269 CB ILE A 583 14.733 1.229 -0.428 1.00 0.00 C ATOM 1270 CG1 ILE A 583 13.430 0.480 -0.701 1.00 0.00 C ATOM 1271 CG2 ILE A 583 14.445 2.683 -0.082 1.00 0.00 C ATOM 1272 CD1 ILE A 583 12.496 0.456 0.483 1.00 0.00 C ATOM 0 H ILE A 583 15.691 -0.928 -1.148 1.00 0.00 H new ATOM 0 HA ILE A 583 15.177 1.523 -2.523 1.00 0.00 H new ATOM 0 HB ILE A 583 15.237 0.788 0.432 1.00 0.00 H new ATOM 0 HG12 ILE A 583 12.922 0.945 -1.546 1.00 0.00 H new ATOM 0 HG13 ILE A 583 13.662 -0.544 -0.993 1.00 0.00 H new ATOM 0 HG21 ILE A 583 13.781 2.727 0.782 1.00 0.00 H new ATOM 0 HG22 ILE A 583 15.379 3.193 0.152 1.00 0.00 H new ATOM 0 HG23 ILE A 583 13.968 3.171 -0.932 1.00 0.00 H new ATOM 0 HD11 ILE A 583 11.590 -0.091 0.221 1.00 0.00 H new ATOM 0 HD12 ILE A 583 12.987 -0.035 1.323 1.00 0.00 H new ATOM 0 HD13 ILE A 583 12.235 1.477 0.761 1.00 0.00 H new ATOM 1284 N GLY A 584 17.486 2.469 -2.474 1.00 0.00 N ATOM 1285 CA GLY A 584 18.710 3.238 -2.374 1.00 0.00 C ATOM 1286 C GLY A 584 18.458 4.726 -2.514 1.00 0.00 C ATOM 1287 O GLY A 584 17.688 5.302 -1.746 1.00 0.00 O ATOM 0 H GLY A 584 17.077 2.436 -3.408 1.00 0.00 H new ATOM 0 HA2 GLY A 584 19.186 3.040 -1.413 1.00 0.00 H new ATOM 0 HA3 GLY A 584 19.406 2.914 -3.147 1.00 0.00 H new ATOM 1291 N ALA A 585 19.098 5.343 -3.507 1.00 0.00 N ATOM 1292 CA ALA A 585 18.930 6.774 -3.762 1.00 0.00 C ATOM 1293 C ALA A 585 17.467 7.099 -4.042 1.00 0.00 C ATOM 1294 O ALA A 585 16.834 7.851 -3.300 1.00 0.00 O ATOM 1295 CB ALA A 585 19.801 7.204 -4.932 1.00 0.00 C ATOM 0 H ALA A 585 19.738 4.874 -4.148 1.00 0.00 H new ATOM 0 HA ALA A 585 19.240 7.324 -2.874 1.00 0.00 H new ATOM 0 HB1 ALA A 585 19.667 8.271 -5.112 1.00 0.00 H new ATOM 0 HB2 ALA A 585 20.847 7.003 -4.700 1.00 0.00 H new ATOM 0 HB3 ALA A 585 19.514 6.647 -5.824 1.00 0.00 H new ATOM 1301 N LEU A 586 16.948 6.527 -5.123 1.00 0.00 N ATOM 1302 CA LEU A 586 15.534 6.625 -5.464 1.00 0.00 C ATOM 1303 C LEU A 586 15.226 5.638 -6.579 1.00 0.00 C ATOM 1304 O LEU A 586 15.936 5.584 -7.584 1.00 0.00 O ATOM 1305 CB LEU A 586 15.169 8.059 -5.885 1.00 0.00 C ATOM 1306 CG LEU A 586 13.667 8.363 -5.971 1.00 0.00 C ATOM 1307 CD1 LEU A 586 13.423 9.852 -5.809 1.00 0.00 C ATOM 1308 CD2 LEU A 586 13.083 7.884 -7.292 1.00 0.00 C ATOM 0 H LEU A 586 17.497 5.982 -5.788 1.00 0.00 H new ATOM 0 HA LEU A 586 14.933 6.380 -4.588 1.00 0.00 H new ATOM 0 HB2 LEU A 586 15.622 8.753 -5.177 1.00 0.00 H new ATOM 0 HB3 LEU A 586 15.618 8.258 -6.858 1.00 0.00 H new ATOM 0 HG LEU A 586 13.170 7.826 -5.163 1.00 0.00 H new ATOM 0 HD11 LEU A 586 12.354 10.054 -5.872 1.00 0.00 H new ATOM 0 HD12 LEU A 586 13.798 10.179 -4.839 1.00 0.00 H new ATOM 0 HD13 LEU A 586 13.942 10.394 -6.600 1.00 0.00 H new ATOM 0 HD21 LEU A 586 12.018 8.113 -7.323 1.00 0.00 H new ATOM 0 HD22 LEU A 586 13.587 8.388 -8.117 1.00 0.00 H new ATOM 0 HD23 LEU A 586 13.225 6.807 -7.384 1.00 0.00 H new ATOM 1320 N VAL A 587 14.193 4.840 -6.384 1.00 0.00 N ATOM 1321 CA VAL A 587 13.772 3.875 -7.384 1.00 0.00 C ATOM 1322 C VAL A 587 12.282 4.011 -7.640 1.00 0.00 C ATOM 1323 O VAL A 587 11.493 4.164 -6.709 1.00 0.00 O ATOM 1324 CB VAL A 587 14.092 2.426 -6.955 1.00 0.00 C ATOM 1325 CG1 VAL A 587 13.711 1.442 -8.051 1.00 0.00 C ATOM 1326 CG2 VAL A 587 15.564 2.282 -6.607 1.00 0.00 C ATOM 0 H VAL A 587 13.626 4.841 -5.536 1.00 0.00 H new ATOM 0 HA VAL A 587 14.327 4.086 -8.298 1.00 0.00 H new ATOM 0 HB VAL A 587 13.502 2.199 -6.067 1.00 0.00 H new ATOM 0 HG11 VAL A 587 13.945 0.428 -7.727 1.00 0.00 H new ATOM 0 HG12 VAL A 587 12.643 1.520 -8.255 1.00 0.00 H new ATOM 0 HG13 VAL A 587 14.271 1.672 -8.957 1.00 0.00 H new ATOM 0 HG21 VAL A 587 15.768 1.254 -6.307 1.00 0.00 H new ATOM 0 HG22 VAL A 587 16.170 2.534 -7.477 1.00 0.00 H new ATOM 0 HG23 VAL A 587 15.811 2.955 -5.786 1.00 0.00 H new ATOM 1336 N ARG A 588 11.903 3.981 -8.904 1.00 0.00 N ATOM 1337 CA ARG A 588 10.505 4.086 -9.270 1.00 0.00 C ATOM 1338 C ARG A 588 9.925 2.704 -9.523 1.00 0.00 C ATOM 1339 O ARG A 588 10.397 1.972 -10.392 1.00 0.00 O ATOM 1340 CB ARG A 588 10.332 4.935 -10.527 1.00 0.00 C ATOM 1341 CG ARG A 588 11.106 6.239 -10.513 1.00 0.00 C ATOM 1342 CD ARG A 588 10.893 7.021 -11.799 1.00 0.00 C ATOM 1343 NE ARG A 588 11.187 6.222 -12.989 1.00 0.00 N ATOM 1344 CZ ARG A 588 11.978 6.625 -13.981 1.00 0.00 C ATOM 1345 NH1 ARG A 588 12.631 7.778 -13.890 1.00 0.00 N1+ ATOM 1346 NH2 ARG A 588 12.128 5.863 -15.056 1.00 0.00 N ATOM 0 H ARG A 588 12.543 3.885 -9.692 1.00 0.00 H new ATOM 0 HA ARG A 588 9.978 4.563 -8.444 1.00 0.00 H new ATOM 0 HB2 ARG A 588 10.645 4.350 -11.392 1.00 0.00 H new ATOM 0 HB3 ARG A 588 9.273 5.157 -10.658 1.00 0.00 H new ATOM 0 HG2 ARG A 588 10.791 6.842 -9.662 1.00 0.00 H new ATOM 0 HG3 ARG A 588 12.168 6.033 -10.382 1.00 0.00 H new ATOM 0 HD2 ARG A 588 9.861 7.369 -11.843 1.00 0.00 H new ATOM 0 HD3 ARG A 588 11.528 7.907 -11.793 1.00 0.00 H new ATOM 0 HE ARG A 588 10.759 5.299 -13.063 1.00 0.00 H new ATOM 0 HH11 ARG A 588 12.527 8.358 -13.058 1.00 0.00 H new ATOM 0 HH12 ARG A 588 13.236 8.083 -14.652 1.00 0.00 H new ATOM 0 HH21 ARG A 588 11.638 4.971 -15.121 1.00 0.00 H new ATOM 0 HH22 ARG A 588 12.733 6.169 -15.818 1.00 0.00 H new ATOM 1360 N LEU A 589 8.905 2.356 -8.768 1.00 0.00 N ATOM 1361 CA LEU A 589 8.258 1.068 -8.921 1.00 0.00 C ATOM 1362 C LEU A 589 6.889 1.256 -9.567 1.00 0.00 C ATOM 1363 O LEU A 589 6.021 1.912 -9.001 1.00 0.00 O ATOM 1364 CB LEU A 589 8.106 0.412 -7.549 1.00 0.00 C ATOM 1365 CG LEU A 589 8.283 -1.109 -7.506 1.00 0.00 C ATOM 1366 CD1 LEU A 589 7.951 -1.635 -6.122 1.00 0.00 C ATOM 1367 CD2 LEU A 589 7.424 -1.800 -8.550 1.00 0.00 C ATOM 0 H LEU A 589 8.504 2.948 -8.040 1.00 0.00 H new ATOM 0 HA LEU A 589 8.865 0.426 -9.560 1.00 0.00 H new ATOM 0 HB2 LEU A 589 8.832 0.861 -6.872 1.00 0.00 H new ATOM 0 HB3 LEU A 589 7.116 0.653 -7.161 1.00 0.00 H new ATOM 0 HG LEU A 589 9.326 -1.330 -7.734 1.00 0.00 H new ATOM 0 HD11 LEU A 589 8.080 -2.717 -6.103 1.00 0.00 H new ATOM 0 HD12 LEU A 589 8.616 -1.177 -5.390 1.00 0.00 H new ATOM 0 HD13 LEU A 589 6.918 -1.389 -5.877 1.00 0.00 H new ATOM 0 HD21 LEU A 589 7.575 -2.878 -8.490 1.00 0.00 H new ATOM 0 HD22 LEU A 589 6.374 -1.570 -8.367 1.00 0.00 H new ATOM 0 HD23 LEU A 589 7.705 -1.449 -9.543 1.00 0.00 H new ATOM 1379 N LYS A 590 6.703 0.702 -10.755 1.00 0.00 N ATOM 1380 CA LYS A 590 5.423 0.771 -11.433 1.00 0.00 C ATOM 1381 C LYS A 590 4.361 0.031 -10.634 1.00 0.00 C ATOM 1382 O LYS A 590 4.622 -1.031 -10.077 1.00 0.00 O ATOM 1383 CB LYS A 590 5.543 0.170 -12.825 1.00 0.00 C ATOM 1384 CG LYS A 590 6.261 1.058 -13.825 1.00 0.00 C ATOM 1385 CD LYS A 590 5.357 2.161 -14.350 1.00 0.00 C ATOM 1386 CE LYS A 590 4.118 1.587 -15.023 1.00 0.00 C ATOM 1387 NZ LYS A 590 3.336 2.624 -15.746 1.00 0.00 N1+ ATOM 0 H LYS A 590 7.426 0.199 -11.269 1.00 0.00 H new ATOM 0 HA LYS A 590 5.127 1.816 -11.520 1.00 0.00 H new ATOM 0 HB2 LYS A 590 6.072 -0.780 -12.754 1.00 0.00 H new ATOM 0 HB3 LYS A 590 4.544 -0.049 -13.202 1.00 0.00 H new ATOM 0 HG2 LYS A 590 7.139 1.501 -13.354 1.00 0.00 H new ATOM 0 HG3 LYS A 590 6.618 0.453 -14.658 1.00 0.00 H new ATOM 0 HD2 LYS A 590 5.059 2.812 -13.528 1.00 0.00 H new ATOM 0 HD3 LYS A 590 5.907 2.777 -15.061 1.00 0.00 H new ATOM 0 HE2 LYS A 590 4.416 0.807 -15.723 1.00 0.00 H new ATOM 0 HE3 LYS A 590 3.485 1.116 -14.271 1.00 0.00 H new ATOM 0 HZ1 LYS A 590 3.019 2.244 -16.661 1.00 0.00 H new ATOM 0 HZ2 LYS A 590 2.508 2.894 -15.177 1.00 0.00 H new ATOM 0 HZ3 LYS A 590 3.933 3.460 -15.907 1.00 0.00 H new ATOM 1401 N SER A 591 3.174 0.605 -10.567 1.00 0.00 N ATOM 1402 CA SER A 591 2.085 0.004 -9.819 1.00 0.00 C ATOM 1403 C SER A 591 1.056 -0.597 -10.771 1.00 0.00 C ATOM 1404 O SER A 591 1.249 -0.597 -11.989 1.00 0.00 O ATOM 1405 CB SER A 591 1.414 1.056 -8.939 1.00 0.00 C ATOM 1406 OG SER A 591 0.745 2.005 -9.748 1.00 0.00 O ATOM 0 H SER A 591 2.939 1.487 -11.022 1.00 0.00 H new ATOM 0 HA SER A 591 2.491 -0.788 -9.190 1.00 0.00 H new ATOM 0 HB2 SER A 591 0.706 0.578 -8.262 1.00 0.00 H new ATOM 0 HB3 SER A 591 2.160 1.554 -8.320 1.00 0.00 H new ATOM 0 HG SER A 591 1.402 2.507 -10.275 1.00 0.00 H new ATOM 1412 N LEU A 592 -0.049 -1.066 -10.212 1.00 0.00 N ATOM 1413 CA LEU A 592 -1.133 -1.641 -10.997 1.00 0.00 C ATOM 1414 C LEU A 592 -2.013 -0.546 -11.590 1.00 0.00 C ATOM 1415 O LEU A 592 -2.469 -0.654 -12.725 1.00 0.00 O ATOM 1416 CB LEU A 592 -1.998 -2.553 -10.128 1.00 0.00 C ATOM 1417 CG LEU A 592 -1.271 -3.698 -9.422 1.00 0.00 C ATOM 1418 CD1 LEU A 592 -2.255 -4.523 -8.610 1.00 0.00 C ATOM 1419 CD2 LEU A 592 -0.534 -4.577 -10.418 1.00 0.00 C ATOM 0 H LEU A 592 -0.220 -1.060 -9.207 1.00 0.00 H new ATOM 0 HA LEU A 592 -0.685 -2.221 -11.804 1.00 0.00 H new ATOM 0 HB2 LEU A 592 -2.490 -1.941 -9.372 1.00 0.00 H new ATOM 0 HB3 LEU A 592 -2.783 -2.979 -10.753 1.00 0.00 H new ATOM 0 HG LEU A 592 -0.532 -3.266 -8.747 1.00 0.00 H new ATOM 0 HD11 LEU A 592 -1.725 -5.335 -8.112 1.00 0.00 H new ATOM 0 HD12 LEU A 592 -2.732 -3.889 -7.863 1.00 0.00 H new ATOM 0 HD13 LEU A 592 -3.015 -4.938 -9.272 1.00 0.00 H new ATOM 0 HD21 LEU A 592 -0.027 -5.382 -9.887 1.00 0.00 H new ATOM 0 HD22 LEU A 592 -1.246 -5.001 -11.126 1.00 0.00 H new ATOM 0 HD23 LEU A 592 0.201 -3.979 -10.957 1.00 0.00 H new ATOM 1431 N GLN A 593 -2.265 0.499 -10.805 1.00 0.00 N ATOM 1432 CA GLN A 593 -3.119 1.606 -11.248 1.00 0.00 C ATOM 1433 C GLN A 593 -2.518 2.301 -12.470 1.00 0.00 C ATOM 1434 O GLN A 593 -3.236 2.843 -13.310 1.00 0.00 O ATOM 1435 CB GLN A 593 -3.300 2.628 -10.127 1.00 0.00 C ATOM 1436 CG GLN A 593 -4.109 3.838 -10.554 1.00 0.00 C ATOM 1437 CD GLN A 593 -3.911 5.019 -9.638 1.00 0.00 C ATOM 1438 OE1 GLN A 593 -3.005 5.816 -9.846 1.00 0.00 O ATOM 1439 NE2 GLN A 593 -4.755 5.144 -8.623 1.00 0.00 N ATOM 0 H GLN A 593 -1.893 0.605 -9.861 1.00 0.00 H new ATOM 0 HA GLN A 593 -4.090 1.188 -11.516 1.00 0.00 H new ATOM 0 HB2 GLN A 593 -3.793 2.148 -9.281 1.00 0.00 H new ATOM 0 HB3 GLN A 593 -2.320 2.957 -9.781 1.00 0.00 H new ATOM 0 HG2 GLN A 593 -3.828 4.119 -11.569 1.00 0.00 H new ATOM 0 HG3 GLN A 593 -5.166 3.574 -10.577 1.00 0.00 H new ATOM 0 HE21 GLN A 593 -5.496 4.456 -8.488 1.00 0.00 H new ATOM 0 HE22 GLN A 593 -4.664 5.928 -7.977 1.00 0.00 H new ATOM 1448 N GLY A 594 -1.201 2.277 -12.564 1.00 0.00 N ATOM 1449 CA GLY A 594 -0.547 2.715 -13.782 1.00 0.00 C ATOM 1450 C GLY A 594 0.524 3.768 -13.577 1.00 0.00 C ATOM 1451 O GLY A 594 1.365 3.960 -14.457 1.00 0.00 O ATOM 0 H GLY A 594 -0.572 1.964 -11.824 1.00 0.00 H new ATOM 0 HA2 GLY A 594 -0.099 1.850 -14.270 1.00 0.00 H new ATOM 0 HA3 GLY A 594 -1.301 3.110 -14.463 1.00 0.00 H new ATOM 1455 N ASP A 595 0.521 4.461 -12.446 1.00 0.00 N ATOM 1456 CA ASP A 595 1.579 5.434 -12.198 1.00 0.00 C ATOM 1457 C ASP A 595 2.766 4.750 -11.513 1.00 0.00 C ATOM 1458 O ASP A 595 2.916 3.526 -11.586 1.00 0.00 O ATOM 1459 CB ASP A 595 1.072 6.633 -11.380 1.00 0.00 C ATOM 1460 CG ASP A 595 1.988 7.841 -11.518 1.00 0.00 C ATOM 1461 OD1 ASP A 595 1.985 8.480 -12.592 1.00 0.00 O ATOM 1462 OD2 ASP A 595 2.742 8.135 -10.568 1.00 0.00 O1- ATOM 0 H ASP A 595 -0.177 4.374 -11.707 1.00 0.00 H new ATOM 0 HA ASP A 595 1.911 5.830 -13.158 1.00 0.00 H new ATOM 0 HB2 ASP A 595 0.068 6.899 -11.710 1.00 0.00 H new ATOM 0 HB3 ASP A 595 0.998 6.351 -10.330 1.00 0.00 H new ATOM 1467 N LYS A 596 3.594 5.534 -10.848 1.00 0.00 N ATOM 1468 CA LYS A 596 4.864 5.061 -10.340 1.00 0.00 C ATOM 1469 C LYS A 596 4.982 5.311 -8.844 1.00 0.00 C ATOM 1470 O LYS A 596 4.622 6.381 -8.352 1.00 0.00 O ATOM 1471 CB LYS A 596 5.986 5.789 -11.083 1.00 0.00 C ATOM 1472 CG LYS A 596 5.910 7.297 -10.914 1.00 0.00 C ATOM 1473 CD LYS A 596 6.487 8.040 -12.101 1.00 0.00 C ATOM 1474 CE LYS A 596 6.151 9.520 -12.021 1.00 0.00 C ATOM 1475 NZ LYS A 596 4.686 9.750 -11.849 1.00 0.00 N1+ ATOM 0 H LYS A 596 3.403 6.515 -10.646 1.00 0.00 H new ATOM 0 HA LYS A 596 4.938 3.986 -10.503 1.00 0.00 H new ATOM 0 HB2 LYS A 596 6.950 5.433 -10.718 1.00 0.00 H new ATOM 0 HB3 LYS A 596 5.936 5.542 -12.143 1.00 0.00 H new ATOM 0 HG2 LYS A 596 4.870 7.592 -10.774 1.00 0.00 H new ATOM 0 HG3 LYS A 596 6.448 7.586 -10.011 1.00 0.00 H new ATOM 0 HD2 LYS A 596 7.569 7.908 -12.128 1.00 0.00 H new ATOM 0 HD3 LYS A 596 6.091 7.621 -13.026 1.00 0.00 H new ATOM 0 HE2 LYS A 596 6.689 9.970 -11.187 1.00 0.00 H new ATOM 0 HE3 LYS A 596 6.493 10.019 -12.928 1.00 0.00 H new ATOM 0 HZ1 LYS A 596 4.462 10.742 -12.068 1.00 0.00 H new ATOM 0 HZ2 LYS A 596 4.159 9.126 -12.493 1.00 0.00 H new ATOM 0 HZ3 LYS A 596 4.415 9.543 -10.867 1.00 0.00 H new ATOM 1489 N LEU A 597 5.467 4.320 -8.126 1.00 0.00 N ATOM 1490 CA LEU A 597 5.777 4.491 -6.725 1.00 0.00 C ATOM 1491 C LEU A 597 7.161 5.096 -6.598 1.00 0.00 C ATOM 1492 O LEU A 597 8.158 4.482 -6.986 1.00 0.00 O ATOM 1493 CB LEU A 597 5.718 3.149 -5.992 1.00 0.00 C ATOM 1494 CG LEU A 597 4.353 2.461 -6.011 1.00 0.00 C ATOM 1495 CD1 LEU A 597 4.416 1.122 -5.297 1.00 0.00 C ATOM 1496 CD2 LEU A 597 3.310 3.353 -5.367 1.00 0.00 C ATOM 0 H LEU A 597 5.655 3.386 -8.492 1.00 0.00 H new ATOM 0 HA LEU A 597 5.041 5.155 -6.272 1.00 0.00 H new ATOM 0 HB2 LEU A 597 6.453 2.477 -6.436 1.00 0.00 H new ATOM 0 HB3 LEU A 597 6.015 3.305 -4.955 1.00 0.00 H new ATOM 0 HG LEU A 597 4.071 2.282 -7.049 1.00 0.00 H new ATOM 0 HD11 LEU A 597 3.434 0.650 -5.322 1.00 0.00 H new ATOM 0 HD12 LEU A 597 5.141 0.478 -5.794 1.00 0.00 H new ATOM 0 HD13 LEU A 597 4.718 1.276 -4.261 1.00 0.00 H new ATOM 0 HD21 LEU A 597 2.342 2.853 -5.386 1.00 0.00 H new ATOM 0 HD22 LEU A 597 3.593 3.557 -4.334 1.00 0.00 H new ATOM 0 HD23 LEU A 597 3.244 4.292 -5.917 1.00 0.00 H new ATOM 1508 N GLU A 598 7.213 6.303 -6.069 1.00 0.00 N ATOM 1509 CA GLU A 598 8.466 7.027 -5.930 1.00 0.00 C ATOM 1510 C GLU A 598 9.081 6.731 -4.570 1.00 0.00 C ATOM 1511 O GLU A 598 8.867 7.469 -3.612 1.00 0.00 O ATOM 1512 CB GLU A 598 8.210 8.528 -6.093 1.00 0.00 C ATOM 1513 CG GLU A 598 9.462 9.388 -6.097 1.00 0.00 C ATOM 1514 CD GLU A 598 9.132 10.862 -6.213 1.00 0.00 C ATOM 1515 OE1 GLU A 598 9.006 11.361 -7.352 1.00 0.00 O ATOM 1516 OE2 GLU A 598 8.970 11.524 -5.170 1.00 0.00 O1- ATOM 0 H GLU A 598 6.396 6.808 -5.725 1.00 0.00 H new ATOM 0 HA GLU A 598 9.164 6.706 -6.703 1.00 0.00 H new ATOM 0 HB2 GLU A 598 7.670 8.692 -7.026 1.00 0.00 H new ATOM 0 HB3 GLU A 598 7.559 8.862 -5.285 1.00 0.00 H new ATOM 0 HG2 GLU A 598 10.026 9.213 -5.181 1.00 0.00 H new ATOM 0 HG3 GLU A 598 10.103 9.093 -6.928 1.00 0.00 H new ATOM 1523 N VAL A 599 9.817 5.640 -4.477 1.00 0.00 N ATOM 1524 CA VAL A 599 10.362 5.217 -3.208 1.00 0.00 C ATOM 1525 C VAL A 599 11.880 5.388 -3.160 1.00 0.00 C ATOM 1526 O VAL A 599 12.596 5.010 -4.090 1.00 0.00 O ATOM 1527 CB VAL A 599 9.941 3.767 -2.868 1.00 0.00 C ATOM 1528 CG1 VAL A 599 10.164 2.828 -4.045 1.00 0.00 C ATOM 1529 CG2 VAL A 599 10.658 3.261 -1.623 1.00 0.00 C ATOM 0 H VAL A 599 10.049 5.034 -5.264 1.00 0.00 H new ATOM 0 HA VAL A 599 9.942 5.867 -2.441 1.00 0.00 H new ATOM 0 HB VAL A 599 8.872 3.782 -2.657 1.00 0.00 H new ATOM 0 HG11 VAL A 599 9.857 1.819 -3.769 1.00 0.00 H new ATOM 0 HG12 VAL A 599 9.574 3.166 -4.897 1.00 0.00 H new ATOM 0 HG13 VAL A 599 11.221 2.825 -4.313 1.00 0.00 H new ATOM 0 HG21 VAL A 599 10.341 2.240 -1.410 1.00 0.00 H new ATOM 0 HG22 VAL A 599 11.735 3.279 -1.791 1.00 0.00 H new ATOM 0 HG23 VAL A 599 10.412 3.901 -0.776 1.00 0.00 H new ATOM 1539 N SER A 600 12.356 5.987 -2.076 1.00 0.00 N ATOM 1540 CA SER A 600 13.766 6.293 -1.921 1.00 0.00 C ATOM 1541 C SER A 600 14.181 6.126 -0.470 1.00 0.00 C ATOM 1542 O SER A 600 13.334 5.960 0.400 1.00 0.00 O ATOM 1543 CB SER A 600 14.011 7.729 -2.380 1.00 0.00 C ATOM 1544 OG SER A 600 13.004 8.596 -1.886 1.00 0.00 O ATOM 0 H SER A 600 11.777 6.272 -1.286 1.00 0.00 H new ATOM 0 HA SER A 600 14.360 5.609 -2.527 1.00 0.00 H new ATOM 0 HB2 SER A 600 14.988 8.065 -2.033 1.00 0.00 H new ATOM 0 HB3 SER A 600 14.029 7.769 -3.469 1.00 0.00 H new ATOM 0 HG SER A 600 13.181 9.510 -2.191 1.00 0.00 H new ATOM 1550 N LEU A 601 15.474 6.146 -0.210 1.00 0.00 N ATOM 1551 CA LEU A 601 15.959 6.148 1.153 1.00 0.00 C ATOM 1552 C LEU A 601 16.732 7.438 1.376 1.00 0.00 C ATOM 1553 O LEU A 601 17.793 7.651 0.791 1.00 0.00 O ATOM 1554 CB LEU A 601 16.837 4.918 1.415 1.00 0.00 C ATOM 1555 CG LEU A 601 16.833 4.386 2.855 1.00 0.00 C ATOM 1556 CD1 LEU A 601 17.672 3.122 2.960 1.00 0.00 C ATOM 1557 CD2 LEU A 601 17.342 5.434 3.831 1.00 0.00 C ATOM 0 H LEU A 601 16.204 6.161 -0.923 1.00 0.00 H new ATOM 0 HA LEU A 601 15.124 6.097 1.852 1.00 0.00 H new ATOM 0 HB2 LEU A 601 16.513 4.116 0.751 1.00 0.00 H new ATOM 0 HB3 LEU A 601 17.863 5.163 1.142 1.00 0.00 H new ATOM 0 HG LEU A 601 15.802 4.148 3.118 1.00 0.00 H new ATOM 0 HD11 LEU A 601 17.657 2.760 3.988 1.00 0.00 H new ATOM 0 HD12 LEU A 601 17.262 2.357 2.300 1.00 0.00 H new ATOM 0 HD13 LEU A 601 18.699 3.342 2.667 1.00 0.00 H new ATOM 0 HD21 LEU A 601 17.327 5.027 4.842 1.00 0.00 H new ATOM 0 HD22 LEU A 601 18.362 5.712 3.567 1.00 0.00 H new ATOM 0 HD23 LEU A 601 16.702 6.315 3.785 1.00 0.00 H new ATOM 1569 N LYS A 602 16.185 8.296 2.217 1.00 0.00 N ATOM 1570 CA LYS A 602 16.730 9.628 2.420 1.00 0.00 C ATOM 1571 C LYS A 602 16.644 10.010 3.887 1.00 0.00 C ATOM 1572 O LYS A 602 15.623 9.776 4.531 1.00 0.00 O ATOM 1573 CB LYS A 602 15.964 10.648 1.567 1.00 0.00 C ATOM 1574 CG LYS A 602 16.249 10.546 0.076 1.00 0.00 C ATOM 1575 CD LYS A 602 15.369 11.490 -0.729 1.00 0.00 C ATOM 1576 CE LYS A 602 15.858 11.618 -2.161 1.00 0.00 C ATOM 1577 NZ LYS A 602 17.126 12.388 -2.236 1.00 0.00 N1+ ATOM 0 H LYS A 602 15.356 8.093 2.776 1.00 0.00 H new ATOM 0 HA LYS A 602 17.777 9.628 2.116 1.00 0.00 H new ATOM 0 HB2 LYS A 602 14.895 10.514 1.732 1.00 0.00 H new ATOM 0 HB3 LYS A 602 16.216 11.653 1.907 1.00 0.00 H new ATOM 0 HG2 LYS A 602 17.298 10.777 -0.111 1.00 0.00 H new ATOM 0 HG3 LYS A 602 16.084 9.521 -0.257 1.00 0.00 H new ATOM 0 HD2 LYS A 602 14.342 11.125 -0.725 1.00 0.00 H new ATOM 0 HD3 LYS A 602 15.360 12.472 -0.257 1.00 0.00 H new ATOM 0 HE2 LYS A 602 16.008 10.625 -2.585 1.00 0.00 H new ATOM 0 HE3 LYS A 602 15.096 12.111 -2.764 1.00 0.00 H new ATOM 0 HZ1 LYS A 602 17.283 12.705 -3.214 1.00 0.00 H new ATOM 0 HZ2 LYS A 602 17.067 13.216 -1.609 1.00 0.00 H new ATOM 0 HZ3 LYS A 602 17.918 11.783 -1.937 1.00 0.00 H new ATOM 1591 N ASN A 603 17.718 10.587 4.413 1.00 0.00 N ATOM 1592 CA ASN A 603 17.758 11.016 5.808 1.00 0.00 C ATOM 1593 C ASN A 603 17.573 9.812 6.740 1.00 0.00 C ATOM 1594 O ASN A 603 16.931 9.906 7.785 1.00 0.00 O ATOM 1595 CB ASN A 603 16.679 12.082 6.056 1.00 0.00 C ATOM 1596 CG ASN A 603 16.823 12.768 7.402 1.00 0.00 C ATOM 1597 OD1 ASN A 603 17.923 12.877 7.942 1.00 0.00 O ATOM 1598 ND2 ASN A 603 15.711 13.242 7.945 1.00 0.00 N ATOM 0 H ASN A 603 18.576 10.770 3.893 1.00 0.00 H new ATOM 0 HA ASN A 603 18.732 11.457 6.022 1.00 0.00 H new ATOM 0 HB2 ASN A 603 16.727 12.831 5.265 1.00 0.00 H new ATOM 0 HB3 ASN A 603 15.695 11.617 5.995 1.00 0.00 H new ATOM 0 HD21 ASN A 603 15.747 13.719 8.846 1.00 0.00 H new ATOM 0 HD22 ASN A 603 14.820 13.129 7.462 1.00 0.00 H new ATOM 1605 N ASN A 604 18.142 8.674 6.322 1.00 0.00 N ATOM 1606 CA ASN A 604 18.140 7.426 7.108 1.00 0.00 C ATOM 1607 C ASN A 604 16.758 6.764 7.120 1.00 0.00 C ATOM 1608 O ASN A 604 16.584 5.677 7.673 1.00 0.00 O ATOM 1609 CB ASN A 604 18.622 7.675 8.548 1.00 0.00 C ATOM 1610 CG ASN A 604 18.932 6.393 9.305 1.00 0.00 C ATOM 1611 OD1 ASN A 604 19.382 5.403 8.726 1.00 0.00 O ATOM 1612 ND2 ASN A 604 18.695 6.404 10.608 1.00 0.00 N ATOM 0 H ASN A 604 18.620 8.589 5.425 1.00 0.00 H new ATOM 0 HA ASN A 604 18.836 6.743 6.621 1.00 0.00 H new ATOM 0 HB2 ASN A 604 19.515 8.300 8.523 1.00 0.00 H new ATOM 0 HB3 ASN A 604 17.858 8.233 9.089 1.00 0.00 H new ATOM 0 HD21 ASN A 604 18.886 5.573 11.168 1.00 0.00 H new ATOM 0 HD22 ASN A 604 18.322 7.243 11.051 1.00 0.00 H new ATOM 1619 N VAL A 605 15.778 7.399 6.487 1.00 0.00 N ATOM 1620 CA VAL A 605 14.428 6.861 6.457 1.00 0.00 C ATOM 1621 C VAL A 605 13.952 6.666 5.018 1.00 0.00 C ATOM 1622 O VAL A 605 14.347 7.400 4.113 1.00 0.00 O ATOM 1623 CB VAL A 605 13.449 7.766 7.232 1.00 0.00 C ATOM 1624 CG1 VAL A 605 13.271 9.077 6.513 1.00 0.00 C ATOM 1625 CG2 VAL A 605 12.107 7.082 7.449 1.00 0.00 C ATOM 0 H VAL A 605 15.894 8.282 5.991 1.00 0.00 H new ATOM 0 HA VAL A 605 14.449 5.888 6.948 1.00 0.00 H new ATOM 0 HB VAL A 605 13.878 7.960 8.215 1.00 0.00 H new ATOM 0 HG11 VAL A 605 12.578 9.707 7.071 1.00 0.00 H new ATOM 0 HG12 VAL A 605 14.234 9.581 6.432 1.00 0.00 H new ATOM 0 HG13 VAL A 605 12.872 8.894 5.515 1.00 0.00 H new ATOM 0 HG21 VAL A 605 11.443 7.749 7.998 1.00 0.00 H new ATOM 0 HG22 VAL A 605 11.662 6.840 6.484 1.00 0.00 H new ATOM 0 HG23 VAL A 605 12.254 6.166 8.020 1.00 0.00 H new ATOM 1635 N VAL A 606 13.134 5.652 4.807 1.00 0.00 N ATOM 1636 CA VAL A 606 12.593 5.370 3.488 1.00 0.00 C ATOM 1637 C VAL A 606 11.457 6.331 3.169 1.00 0.00 C ATOM 1638 O VAL A 606 10.569 6.549 3.988 1.00 0.00 O ATOM 1639 CB VAL A 606 12.077 3.916 3.396 1.00 0.00 C ATOM 1640 CG1 VAL A 606 11.524 3.619 2.010 1.00 0.00 C ATOM 1641 CG2 VAL A 606 13.175 2.926 3.757 1.00 0.00 C ATOM 0 H VAL A 606 12.828 5.006 5.535 1.00 0.00 H new ATOM 0 HA VAL A 606 13.397 5.501 2.763 1.00 0.00 H new ATOM 0 HB VAL A 606 11.266 3.805 4.116 1.00 0.00 H new ATOM 0 HG11 VAL A 606 11.168 2.589 1.973 1.00 0.00 H new ATOM 0 HG12 VAL A 606 10.698 4.297 1.795 1.00 0.00 H new ATOM 0 HG13 VAL A 606 12.310 3.758 1.267 1.00 0.00 H new ATOM 0 HG21 VAL A 606 12.787 1.910 3.685 1.00 0.00 H new ATOM 0 HG22 VAL A 606 14.012 3.044 3.069 1.00 0.00 H new ATOM 0 HG23 VAL A 606 13.513 3.114 4.776 1.00 0.00 H new ATOM 1651 N SER A 607 11.493 6.913 1.990 1.00 0.00 N ATOM 1652 CA SER A 607 10.451 7.821 1.569 1.00 0.00 C ATOM 1653 C SER A 607 9.827 7.372 0.257 1.00 0.00 C ATOM 1654 O SER A 607 10.471 7.387 -0.789 1.00 0.00 O ATOM 1655 CB SER A 607 10.996 9.246 1.465 1.00 0.00 C ATOM 1656 OG SER A 607 12.266 9.271 0.827 1.00 0.00 O ATOM 0 H SER A 607 12.235 6.772 1.305 1.00 0.00 H new ATOM 0 HA SER A 607 9.664 7.811 2.323 1.00 0.00 H new ATOM 0 HB2 SER A 607 10.294 9.865 0.906 1.00 0.00 H new ATOM 0 HB3 SER A 607 11.080 9.679 2.462 1.00 0.00 H new ATOM 0 HG SER A 607 12.165 9.010 -0.112 1.00 0.00 H new ATOM 1662 N VAL A 608 8.571 6.964 0.326 1.00 0.00 N ATOM 1663 CA VAL A 608 7.842 6.518 -0.843 1.00 0.00 C ATOM 1664 C VAL A 608 6.692 7.477 -1.121 1.00 0.00 C ATOM 1665 O VAL A 608 6.000 7.906 -0.202 1.00 0.00 O ATOM 1666 CB VAL A 608 7.308 5.078 -0.664 1.00 0.00 C ATOM 1667 CG1 VAL A 608 6.344 4.998 0.508 1.00 0.00 C ATOM 1668 CG2 VAL A 608 6.647 4.579 -1.941 1.00 0.00 C ATOM 0 H VAL A 608 8.032 6.934 1.192 1.00 0.00 H new ATOM 0 HA VAL A 608 8.526 6.511 -1.692 1.00 0.00 H new ATOM 0 HB VAL A 608 8.158 4.431 -0.448 1.00 0.00 H new ATOM 0 HG11 VAL A 608 5.983 3.975 0.613 1.00 0.00 H new ATOM 0 HG12 VAL A 608 6.857 5.297 1.422 1.00 0.00 H new ATOM 0 HG13 VAL A 608 5.500 5.665 0.331 1.00 0.00 H new ATOM 0 HG21 VAL A 608 6.280 3.564 -1.788 1.00 0.00 H new ATOM 0 HG22 VAL A 608 5.813 5.232 -2.198 1.00 0.00 H new ATOM 0 HG23 VAL A 608 7.374 4.583 -2.753 1.00 0.00 H new ATOM 1678 N ASN A 609 6.527 7.840 -2.388 1.00 0.00 N ATOM 1679 CA ASN A 609 5.503 8.797 -2.812 1.00 0.00 C ATOM 1680 C ASN A 609 5.705 10.122 -2.068 1.00 0.00 C ATOM 1681 O ASN A 609 4.764 10.888 -1.876 1.00 0.00 O ATOM 1682 CB ASN A 609 4.074 8.267 -2.566 1.00 0.00 C ATOM 1683 CG ASN A 609 3.950 6.766 -2.600 1.00 0.00 C ATOM 1684 OD1 ASN A 609 4.107 6.101 -1.583 1.00 0.00 O ATOM 1685 ND2 ASN A 609 3.634 6.211 -3.740 1.00 0.00 N ATOM 0 H ASN A 609 7.098 7.481 -3.153 1.00 0.00 H new ATOM 0 HA ASN A 609 5.612 8.949 -3.886 1.00 0.00 H new ATOM 0 HB2 ASN A 609 3.729 8.626 -1.596 1.00 0.00 H new ATOM 0 HB3 ASN A 609 3.408 8.691 -3.318 1.00 0.00 H new ATOM 0 HD21 ASN A 609 3.512 5.200 -3.799 1.00 0.00 H new ATOM 0 HD22 ASN A 609 3.509 6.789 -4.571 1.00 0.00 H new ATOM 1692 N LYS A 610 6.965 10.363 -1.666 1.00 0.00 N ATOM 1693 CA LYS A 610 7.379 11.558 -0.912 1.00 0.00 C ATOM 1694 C LYS A 610 6.966 11.476 0.562 1.00 0.00 C ATOM 1695 O LYS A 610 7.240 12.391 1.342 1.00 0.00 O ATOM 1696 CB LYS A 610 6.840 12.845 -1.547 1.00 0.00 C ATOM 1697 CG LYS A 610 7.207 12.992 -3.014 1.00 0.00 C ATOM 1698 CD LYS A 610 6.752 14.325 -3.577 1.00 0.00 C ATOM 1699 CE LYS A 610 6.944 14.385 -5.083 1.00 0.00 C ATOM 1700 NZ LYS A 610 8.343 14.082 -5.487 1.00 0.00 N1+ ATOM 0 H LYS A 610 7.736 9.723 -1.859 1.00 0.00 H new ATOM 0 HA LYS A 610 8.468 11.589 -0.955 1.00 0.00 H new ATOM 0 HB2 LYS A 610 5.755 12.864 -1.448 1.00 0.00 H new ATOM 0 HB3 LYS A 610 7.225 13.703 -0.996 1.00 0.00 H new ATOM 0 HG2 LYS A 610 8.287 12.898 -3.130 1.00 0.00 H new ATOM 0 HG3 LYS A 610 6.753 12.182 -3.585 1.00 0.00 H new ATOM 0 HD2 LYS A 610 5.701 14.484 -3.336 1.00 0.00 H new ATOM 0 HD3 LYS A 610 7.313 15.132 -3.105 1.00 0.00 H new ATOM 0 HE2 LYS A 610 6.268 13.676 -5.562 1.00 0.00 H new ATOM 0 HE3 LYS A 610 6.671 15.377 -5.442 1.00 0.00 H new ATOM 0 HZ1 LYS A 610 8.472 14.315 -6.492 1.00 0.00 H new ATOM 0 HZ2 LYS A 610 9.000 14.648 -4.913 1.00 0.00 H new ATOM 0 HZ3 LYS A 610 8.536 13.071 -5.338 1.00 0.00 H new ATOM 1714 N GLU A 611 6.344 10.367 0.938 1.00 0.00 N ATOM 1715 CA GLU A 611 5.921 10.140 2.313 1.00 0.00 C ATOM 1716 C GLU A 611 6.901 9.207 3.021 1.00 0.00 C ATOM 1717 O GLU A 611 7.358 8.220 2.446 1.00 0.00 O ATOM 1718 CB GLU A 611 4.511 9.541 2.348 1.00 0.00 C ATOM 1719 CG GLU A 611 3.429 10.491 1.857 1.00 0.00 C ATOM 1720 CD GLU A 611 3.279 11.712 2.748 1.00 0.00 C ATOM 1721 OE1 GLU A 611 2.640 11.604 3.814 1.00 0.00 O1- ATOM 1722 OE2 GLU A 611 3.805 12.787 2.390 1.00 0.00 O ATOM 0 H GLU A 611 6.119 9.602 0.302 1.00 0.00 H new ATOM 0 HA GLU A 611 5.907 11.099 2.832 1.00 0.00 H new ATOM 0 HB2 GLU A 611 4.494 8.639 1.737 1.00 0.00 H new ATOM 0 HB3 GLU A 611 4.280 9.238 3.369 1.00 0.00 H new ATOM 0 HG2 GLU A 611 3.665 10.812 0.843 1.00 0.00 H new ATOM 0 HG3 GLU A 611 2.478 9.960 1.810 1.00 0.00 H new ATOM 1729 N PRO A 612 7.252 9.517 4.274 1.00 0.00 N ATOM 1730 CA PRO A 612 8.177 8.706 5.067 1.00 0.00 C ATOM 1731 C PRO A 612 7.549 7.391 5.524 1.00 0.00 C ATOM 1732 O PRO A 612 6.475 7.374 6.130 1.00 0.00 O ATOM 1733 CB PRO A 612 8.498 9.595 6.280 1.00 0.00 C ATOM 1734 CG PRO A 612 7.943 10.939 5.946 1.00 0.00 C ATOM 1735 CD PRO A 612 6.791 10.685 5.024 1.00 0.00 C ATOM 0 HA PRO A 612 9.057 8.420 4.491 1.00 0.00 H new ATOM 0 HB2 PRO A 612 8.045 9.198 7.189 1.00 0.00 H new ATOM 0 HB3 PRO A 612 9.573 9.647 6.456 1.00 0.00 H new ATOM 0 HG2 PRO A 612 7.617 11.462 6.845 1.00 0.00 H new ATOM 0 HG3 PRO A 612 8.696 11.566 5.468 1.00 0.00 H new ATOM 0 HD2 PRO A 612 5.869 10.482 5.569 1.00 0.00 H new ATOM 0 HD3 PRO A 612 6.595 11.537 4.372 1.00 0.00 H new ATOM 1743 N VAL A 613 8.229 6.294 5.226 1.00 0.00 N ATOM 1744 CA VAL A 613 7.775 4.971 5.622 1.00 0.00 C ATOM 1745 C VAL A 613 8.087 4.732 7.095 1.00 0.00 C ATOM 1746 O VAL A 613 9.134 5.148 7.594 1.00 0.00 O ATOM 1747 CB VAL A 613 8.449 3.867 4.772 1.00 0.00 C ATOM 1748 CG1 VAL A 613 7.909 2.489 5.116 1.00 0.00 C ATOM 1749 CG2 VAL A 613 8.269 4.144 3.288 1.00 0.00 C ATOM 0 H VAL A 613 9.106 6.296 4.706 1.00 0.00 H new ATOM 0 HA VAL A 613 6.698 4.926 5.459 1.00 0.00 H new ATOM 0 HB VAL A 613 9.513 3.880 5.007 1.00 0.00 H new ATOM 0 HG11 VAL A 613 8.405 1.739 4.500 1.00 0.00 H new ATOM 0 HG12 VAL A 613 8.098 2.276 6.168 1.00 0.00 H new ATOM 0 HG13 VAL A 613 6.836 2.461 4.927 1.00 0.00 H new ATOM 0 HG21 VAL A 613 8.751 3.356 2.710 1.00 0.00 H new ATOM 0 HG22 VAL A 613 7.206 4.171 3.049 1.00 0.00 H new ATOM 0 HG23 VAL A 613 8.721 5.104 3.040 1.00 0.00 H new ATOM 1759 N ALA A 614 7.177 4.069 7.781 1.00 0.00 N ATOM 1760 CA ALA A 614 7.370 3.748 9.184 1.00 0.00 C ATOM 1761 C ALA A 614 8.357 2.599 9.320 1.00 0.00 C ATOM 1762 O ALA A 614 9.411 2.740 9.938 1.00 0.00 O ATOM 1763 CB ALA A 614 6.044 3.398 9.839 1.00 0.00 C ATOM 0 H ALA A 614 6.294 3.741 7.390 1.00 0.00 H new ATOM 0 HA ALA A 614 7.777 4.622 9.693 1.00 0.00 H new ATOM 0 HB1 ALA A 614 6.209 3.160 10.890 1.00 0.00 H new ATOM 0 HB2 ALA A 614 5.364 4.247 9.761 1.00 0.00 H new ATOM 0 HB3 ALA A 614 5.606 2.536 9.336 1.00 0.00 H new ATOM 1769 N GLU A 615 8.002 1.463 8.735 1.00 0.00 N ATOM 1770 CA GLU A 615 8.902 0.315 8.663 1.00 0.00 C ATOM 1771 C GLU A 615 8.766 -0.389 7.321 1.00 0.00 C ATOM 1772 O GLU A 615 7.700 -0.914 6.991 1.00 0.00 O ATOM 1773 CB GLU A 615 8.639 -0.670 9.805 1.00 0.00 C ATOM 1774 CG GLU A 615 9.215 -0.216 11.133 1.00 0.00 C ATOM 1775 CD GLU A 615 8.845 -1.128 12.282 1.00 0.00 C ATOM 1776 OE1 GLU A 615 9.366 -2.259 12.347 1.00 0.00 O1- ATOM 1777 OE2 GLU A 615 8.031 -0.708 13.132 1.00 0.00 O ATOM 0 H GLU A 615 7.092 1.309 8.300 1.00 0.00 H new ATOM 0 HA GLU A 615 9.922 0.687 8.764 1.00 0.00 H new ATOM 0 HB2 GLU A 615 7.564 -0.812 9.913 1.00 0.00 H new ATOM 0 HB3 GLU A 615 9.064 -1.639 9.545 1.00 0.00 H new ATOM 0 HG2 GLU A 615 10.301 -0.164 11.053 1.00 0.00 H new ATOM 0 HG3 GLU A 615 8.863 0.793 11.349 1.00 0.00 H new ATOM 1784 N PRO A 616 9.822 -0.349 6.498 1.00 0.00 N ATOM 1785 CA PRO A 616 9.866 -1.074 5.229 1.00 0.00 C ATOM 1786 C PRO A 616 10.241 -2.549 5.394 1.00 0.00 C ATOM 1787 O PRO A 616 10.622 -2.989 6.478 1.00 0.00 O ATOM 1788 CB PRO A 616 10.978 -0.342 4.480 1.00 0.00 C ATOM 1789 CG PRO A 616 11.925 0.045 5.557 1.00 0.00 C ATOM 1790 CD PRO A 616 11.055 0.443 6.715 1.00 0.00 C ATOM 0 HA PRO A 616 8.897 -1.086 4.730 1.00 0.00 H new ATOM 0 HB2 PRO A 616 11.454 -0.985 3.739 1.00 0.00 H new ATOM 0 HB3 PRO A 616 10.597 0.530 3.948 1.00 0.00 H new ATOM 0 HG2 PRO A 616 12.581 -0.784 5.823 1.00 0.00 H new ATOM 0 HG3 PRO A 616 12.565 0.869 5.242 1.00 0.00 H new ATOM 0 HD2 PRO A 616 11.523 0.206 7.671 1.00 0.00 H new ATOM 0 HD3 PRO A 616 10.851 1.514 6.716 1.00 0.00 H new ATOM 1798 N ASP A 617 10.091 -3.300 4.304 1.00 0.00 N ATOM 1799 CA ASP A 617 10.672 -4.638 4.166 1.00 0.00 C ATOM 1800 C ASP A 617 9.946 -5.682 5.018 1.00 0.00 C ATOM 1801 O ASP A 617 10.530 -6.689 5.420 1.00 0.00 O ATOM 1802 CB ASP A 617 12.167 -4.604 4.513 1.00 0.00 C ATOM 1803 CG ASP A 617 12.956 -5.692 3.812 1.00 0.00 C ATOM 1804 OD1 ASP A 617 13.229 -5.540 2.603 1.00 0.00 O1- ATOM 1805 OD2 ASP A 617 13.317 -6.693 4.463 1.00 0.00 O ATOM 0 H ASP A 617 9.561 -2.997 3.487 1.00 0.00 H new ATOM 0 HA ASP A 617 10.550 -4.939 3.125 1.00 0.00 H new ATOM 0 HB2 ASP A 617 12.577 -3.631 4.241 1.00 0.00 H new ATOM 0 HB3 ASP A 617 12.288 -4.711 5.591 1.00 0.00 H new ATOM 1810 N ILE A 618 8.665 -5.463 5.271 1.00 0.00 N ATOM 1811 CA ILE A 618 7.855 -6.480 5.926 1.00 0.00 C ATOM 1812 C ILE A 618 7.421 -7.503 4.885 1.00 0.00 C ATOM 1813 O ILE A 618 6.390 -7.347 4.235 1.00 0.00 O ATOM 1814 CB ILE A 618 6.614 -5.880 6.616 1.00 0.00 C ATOM 1815 CG1 ILE A 618 7.026 -4.739 7.547 1.00 0.00 C ATOM 1816 CG2 ILE A 618 5.859 -6.955 7.390 1.00 0.00 C ATOM 1817 CD1 ILE A 618 5.858 -4.041 8.206 1.00 0.00 C ATOM 0 H ILE A 618 8.169 -4.603 5.037 1.00 0.00 H new ATOM 0 HA ILE A 618 8.459 -6.951 6.702 1.00 0.00 H new ATOM 0 HB ILE A 618 5.950 -5.481 5.849 1.00 0.00 H new ATOM 0 HG12 ILE A 618 7.686 -5.133 8.320 1.00 0.00 H new ATOM 0 HG13 ILE A 618 7.601 -4.008 6.979 1.00 0.00 H new ATOM 0 HG21 ILE A 618 4.986 -6.512 7.870 1.00 0.00 H new ATOM 0 HG22 ILE A 618 5.537 -7.739 6.704 1.00 0.00 H new ATOM 0 HG23 ILE A 618 6.513 -7.383 8.150 1.00 0.00 H new ATOM 0 HD11 ILE A 618 6.227 -3.244 8.851 1.00 0.00 H new ATOM 0 HD12 ILE A 618 5.209 -3.616 7.440 1.00 0.00 H new ATOM 0 HD13 ILE A 618 5.295 -4.759 8.802 1.00 0.00 H new ATOM 1829 N MET A 619 8.234 -8.524 4.699 1.00 0.00 N ATOM 1830 CA MET A 619 8.028 -9.457 3.605 1.00 0.00 C ATOM 1831 C MET A 619 6.936 -10.475 3.898 1.00 0.00 C ATOM 1832 O MET A 619 6.847 -11.030 4.995 1.00 0.00 O ATOM 1833 CB MET A 619 9.325 -10.179 3.249 1.00 0.00 C ATOM 1834 CG MET A 619 10.405 -9.256 2.711 1.00 0.00 C ATOM 1835 SD MET A 619 11.702 -10.148 1.825 1.00 0.00 S ATOM 1836 CE MET A 619 10.765 -10.822 0.452 1.00 0.00 C ATOM 0 H MET A 619 9.041 -8.730 5.288 1.00 0.00 H new ATOM 0 HA MET A 619 7.701 -8.860 2.754 1.00 0.00 H new ATOM 0 HB2 MET A 619 9.703 -10.689 4.135 1.00 0.00 H new ATOM 0 HB3 MET A 619 9.112 -10.947 2.506 1.00 0.00 H new ATOM 0 HG2 MET A 619 9.952 -8.523 2.043 1.00 0.00 H new ATOM 0 HG3 MET A 619 10.850 -8.702 3.538 1.00 0.00 H new ATOM 0 HE1 MET A 619 11.430 -10.988 -0.396 1.00 0.00 H new ATOM 0 HE2 MET A 619 10.313 -11.768 0.749 1.00 0.00 H new ATOM 0 HE3 MET A 619 9.982 -10.120 0.167 1.00 0.00 H new ATOM 1846 N ALA A 620 6.113 -10.705 2.888 1.00 0.00 N ATOM 1847 CA ALA A 620 5.084 -11.724 2.935 1.00 0.00 C ATOM 1848 C ALA A 620 5.507 -12.896 2.063 1.00 0.00 C ATOM 1849 O ALA A 620 6.584 -12.871 1.472 1.00 0.00 O ATOM 1850 CB ALA A 620 3.758 -11.160 2.452 1.00 0.00 C ATOM 0 H ALA A 620 6.142 -10.187 2.010 1.00 0.00 H new ATOM 0 HA ALA A 620 4.955 -12.062 3.963 1.00 0.00 H new ATOM 0 HB1 ALA A 620 2.995 -11.938 2.493 1.00 0.00 H new ATOM 0 HB2 ALA A 620 3.462 -10.328 3.091 1.00 0.00 H new ATOM 0 HB3 ALA A 620 3.864 -10.810 1.425 1.00 0.00 H new ATOM 1856 N THR A 621 4.660 -13.904 1.952 1.00 0.00 N ATOM 1857 CA THR A 621 5.007 -15.072 1.160 1.00 0.00 C ATOM 1858 C THR A 621 4.916 -14.775 -0.341 1.00 0.00 C ATOM 1859 O THR A 621 5.452 -15.516 -1.166 1.00 0.00 O ATOM 1860 CB THR A 621 4.124 -16.287 1.525 1.00 0.00 C ATOM 1861 OG1 THR A 621 4.588 -17.468 0.860 1.00 0.00 O ATOM 1862 CG2 THR A 621 2.674 -16.034 1.156 1.00 0.00 C ATOM 0 H THR A 621 3.741 -13.939 2.392 1.00 0.00 H new ATOM 0 HA THR A 621 6.041 -15.323 1.396 1.00 0.00 H new ATOM 0 HB THR A 621 4.193 -16.434 2.603 1.00 0.00 H new ATOM 0 HG1 THR A 621 4.904 -17.235 -0.038 1.00 0.00 H new ATOM 0 HG21 THR A 621 2.074 -16.904 1.423 1.00 0.00 H new ATOM 0 HG22 THR A 621 2.308 -15.161 1.696 1.00 0.00 H new ATOM 0 HG23 THR A 621 2.597 -15.856 0.083 1.00 0.00 H new ATOM 1870 N ASN A 622 4.239 -13.689 -0.690 1.00 0.00 N ATOM 1871 CA ASN A 622 4.050 -13.332 -2.089 1.00 0.00 C ATOM 1872 C ASN A 622 4.656 -11.973 -2.425 1.00 0.00 C ATOM 1873 O ASN A 622 4.413 -11.441 -3.504 1.00 0.00 O ATOM 1874 CB ASN A 622 2.563 -13.332 -2.438 1.00 0.00 C ATOM 1875 CG ASN A 622 1.785 -12.260 -1.703 1.00 0.00 C ATOM 1876 OD1 ASN A 622 2.136 -11.858 -0.592 1.00 0.00 O ATOM 1877 ND2 ASN A 622 0.702 -11.810 -2.305 1.00 0.00 N ATOM 0 H ASN A 622 3.813 -13.042 -0.026 1.00 0.00 H new ATOM 0 HA ASN A 622 4.569 -14.083 -2.684 1.00 0.00 H new ATOM 0 HB2 ASN A 622 2.447 -13.186 -3.512 1.00 0.00 H new ATOM 0 HB3 ASN A 622 2.139 -14.308 -2.201 1.00 0.00 H new ATOM 0 HD21 ASN A 622 0.122 -11.104 -1.851 1.00 0.00 H new ATOM 0 HD22 ASN A 622 0.444 -12.167 -3.225 1.00 0.00 H new ATOM 1884 N GLY A 623 5.436 -11.401 -1.519 1.00 0.00 N ATOM 1885 CA GLY A 623 6.012 -10.098 -1.795 1.00 0.00 C ATOM 1886 C GLY A 623 6.501 -9.379 -0.556 1.00 0.00 C ATOM 1887 O GLY A 623 6.963 -10.011 0.391 1.00 0.00 O ATOM 0 H GLY A 623 5.678 -11.805 -0.614 1.00 0.00 H new ATOM 0 HA2 GLY A 623 6.844 -10.217 -2.489 1.00 0.00 H new ATOM 0 HA3 GLY A 623 5.267 -9.479 -2.295 1.00 0.00 H new ATOM 1891 N VAL A 624 6.403 -8.057 -0.560 1.00 0.00 N ATOM 1892 CA VAL A 624 6.893 -7.255 0.551 1.00 0.00 C ATOM 1893 C VAL A 624 5.933 -6.104 0.857 1.00 0.00 C ATOM 1894 O VAL A 624 5.293 -5.554 -0.041 1.00 0.00 O ATOM 1895 CB VAL A 624 8.311 -6.706 0.259 1.00 0.00 C ATOM 1896 CG1 VAL A 624 8.298 -5.767 -0.936 1.00 0.00 C ATOM 1897 CG2 VAL A 624 8.895 -6.015 1.482 1.00 0.00 C ATOM 0 H VAL A 624 5.989 -7.518 -1.320 1.00 0.00 H new ATOM 0 HA VAL A 624 6.949 -7.902 1.426 1.00 0.00 H new ATOM 0 HB VAL A 624 8.950 -7.555 0.015 1.00 0.00 H new ATOM 0 HG11 VAL A 624 9.307 -5.396 -1.118 1.00 0.00 H new ATOM 0 HG12 VAL A 624 7.944 -6.303 -1.816 1.00 0.00 H new ATOM 0 HG13 VAL A 624 7.634 -4.927 -0.731 1.00 0.00 H new ATOM 0 HG21 VAL A 624 9.891 -5.640 1.247 1.00 0.00 H new ATOM 0 HG22 VAL A 624 8.253 -5.183 1.771 1.00 0.00 H new ATOM 0 HG23 VAL A 624 8.960 -6.726 2.305 1.00 0.00 H new ATOM 1907 N VAL A 625 5.817 -5.772 2.136 1.00 0.00 N ATOM 1908 CA VAL A 625 4.964 -4.680 2.578 1.00 0.00 C ATOM 1909 C VAL A 625 5.787 -3.602 3.271 1.00 0.00 C ATOM 1910 O VAL A 625 6.766 -3.895 3.959 1.00 0.00 O ATOM 1911 CB VAL A 625 3.857 -5.182 3.540 1.00 0.00 C ATOM 1912 CG1 VAL A 625 3.067 -4.028 4.149 1.00 0.00 C ATOM 1913 CG2 VAL A 625 2.923 -6.118 2.805 1.00 0.00 C ATOM 0 H VAL A 625 6.309 -6.250 2.891 1.00 0.00 H new ATOM 0 HA VAL A 625 4.490 -4.259 1.692 1.00 0.00 H new ATOM 0 HB VAL A 625 4.343 -5.715 4.357 1.00 0.00 H new ATOM 0 HG11 VAL A 625 2.302 -4.423 4.817 1.00 0.00 H new ATOM 0 HG12 VAL A 625 3.741 -3.383 4.712 1.00 0.00 H new ATOM 0 HG13 VAL A 625 2.593 -3.452 3.354 1.00 0.00 H new ATOM 0 HG21 VAL A 625 2.147 -6.467 3.487 1.00 0.00 H new ATOM 0 HG22 VAL A 625 2.462 -5.590 1.970 1.00 0.00 H new ATOM 0 HG23 VAL A 625 3.486 -6.972 2.428 1.00 0.00 H new ATOM 1923 N HIS A 626 5.400 -2.357 3.062 1.00 0.00 N ATOM 1924 CA HIS A 626 6.047 -1.226 3.713 1.00 0.00 C ATOM 1925 C HIS A 626 4.980 -0.333 4.344 1.00 0.00 C ATOM 1926 O HIS A 626 4.029 0.066 3.674 1.00 0.00 O ATOM 1927 CB HIS A 626 6.875 -0.417 2.705 1.00 0.00 C ATOM 1928 CG HIS A 626 7.811 -1.236 1.856 1.00 0.00 C ATOM 1929 ND1 HIS A 626 9.159 -1.384 2.103 1.00 0.00 N ATOM 1930 CD2 HIS A 626 7.558 -1.959 0.736 1.00 0.00 C ATOM 1931 CE1 HIS A 626 9.670 -2.177 1.148 1.00 0.00 C ATOM 1932 NE2 HIS A 626 8.739 -2.552 0.298 1.00 0.00 N ATOM 0 H HIS A 626 4.633 -2.099 2.441 1.00 0.00 H new ATOM 0 HA HIS A 626 6.720 -1.600 4.484 1.00 0.00 H new ATOM 0 HB2 HIS A 626 6.194 0.127 2.050 1.00 0.00 H new ATOM 0 HB3 HIS A 626 7.457 0.327 3.248 1.00 0.00 H new ATOM 0 HD2 HIS A 626 6.594 -2.059 0.260 1.00 0.00 H new ATOM 0 HE1 HIS A 626 10.708 -2.468 1.086 1.00 0.00 H new ATOM 0 HE2 HIS A 626 8.858 -3.155 -0.516 1.00 0.00 H new ATOM 1940 N VAL A 627 5.132 -0.036 5.626 1.00 0.00 N ATOM 1941 CA VAL A 627 4.112 0.709 6.364 1.00 0.00 C ATOM 1942 C VAL A 627 4.186 2.214 6.104 1.00 0.00 C ATOM 1943 O VAL A 627 5.193 2.852 6.406 1.00 0.00 O ATOM 1944 CB VAL A 627 4.234 0.473 7.886 1.00 0.00 C ATOM 1945 CG1 VAL A 627 3.227 1.323 8.646 1.00 0.00 C ATOM 1946 CG2 VAL A 627 4.051 -0.998 8.219 1.00 0.00 C ATOM 0 H VAL A 627 5.948 -0.297 6.179 1.00 0.00 H new ATOM 0 HA VAL A 627 3.154 0.335 6.003 1.00 0.00 H new ATOM 0 HB VAL A 627 5.236 0.771 8.196 1.00 0.00 H new ATOM 0 HG11 VAL A 627 3.331 1.141 9.716 1.00 0.00 H new ATOM 0 HG12 VAL A 627 3.410 2.377 8.438 1.00 0.00 H new ATOM 0 HG13 VAL A 627 2.217 1.061 8.330 1.00 0.00 H new ATOM 0 HG21 VAL A 627 4.141 -1.141 9.296 1.00 0.00 H new ATOM 0 HG22 VAL A 627 3.065 -1.325 7.890 1.00 0.00 H new ATOM 0 HG23 VAL A 627 4.816 -1.584 7.710 1.00 0.00 H new ATOM 1956 N ILE A 628 3.114 2.775 5.566 1.00 0.00 N ATOM 1957 CA ILE A 628 3.002 4.219 5.416 1.00 0.00 C ATOM 1958 C ILE A 628 1.880 4.760 6.283 1.00 0.00 C ATOM 1959 O ILE A 628 0.876 4.084 6.518 1.00 0.00 O ATOM 1960 CB ILE A 628 2.750 4.668 3.960 1.00 0.00 C ATOM 1961 CG1 ILE A 628 2.112 3.550 3.133 1.00 0.00 C ATOM 1962 CG2 ILE A 628 4.039 5.154 3.324 1.00 0.00 C ATOM 1963 CD1 ILE A 628 1.632 3.999 1.772 1.00 0.00 C ATOM 0 H ILE A 628 2.307 2.252 5.225 1.00 0.00 H new ATOM 0 HA ILE A 628 3.965 4.621 5.729 1.00 0.00 H new ATOM 0 HB ILE A 628 2.044 5.499 3.980 1.00 0.00 H new ATOM 0 HG12 ILE A 628 2.836 2.746 3.006 1.00 0.00 H new ATOM 0 HG13 ILE A 628 1.270 3.136 3.687 1.00 0.00 H new ATOM 0 HG21 ILE A 628 3.843 5.467 2.298 1.00 0.00 H new ATOM 0 HG22 ILE A 628 4.429 5.998 3.892 1.00 0.00 H new ATOM 0 HG23 ILE A 628 4.772 4.347 3.324 1.00 0.00 H new ATOM 0 HD11 ILE A 628 1.192 3.153 1.244 1.00 0.00 H new ATOM 0 HD12 ILE A 628 0.883 4.782 1.890 1.00 0.00 H new ATOM 0 HD13 ILE A 628 2.474 4.386 1.199 1.00 0.00 H new ATOM 1975 N THR A 629 2.055 5.978 6.755 1.00 0.00 N ATOM 1976 CA THR A 629 1.059 6.617 7.587 1.00 0.00 C ATOM 1977 C THR A 629 0.149 7.509 6.748 1.00 0.00 C ATOM 1978 O THR A 629 -0.634 8.290 7.287 1.00 0.00 O ATOM 1979 CB THR A 629 1.730 7.456 8.685 1.00 0.00 C ATOM 1980 OG1 THR A 629 2.692 8.339 8.098 1.00 0.00 O ATOM 1981 CG2 THR A 629 2.410 6.558 9.707 1.00 0.00 C ATOM 0 H THR A 629 2.883 6.546 6.575 1.00 0.00 H new ATOM 0 HA THR A 629 0.459 5.835 8.053 1.00 0.00 H new ATOM 0 HB THR A 629 0.963 8.040 9.194 1.00 0.00 H new ATOM 0 HG1 THR A 629 3.117 8.874 8.801 1.00 0.00 H new ATOM 0 HG21 THR A 629 2.879 7.172 10.476 1.00 0.00 H new ATOM 0 HG22 THR A 629 1.669 5.904 10.167 1.00 0.00 H new ATOM 0 HG23 THR A 629 3.170 5.954 9.212 1.00 0.00 H new ATOM 1989 N ASN A 630 0.261 7.392 5.426 1.00 0.00 N ATOM 1990 CA ASN A 630 -0.575 8.173 4.522 1.00 0.00 C ATOM 1991 C ASN A 630 -1.094 7.285 3.397 1.00 0.00 C ATOM 1992 O ASN A 630 -0.492 6.256 3.084 1.00 0.00 O ATOM 1993 CB ASN A 630 0.218 9.336 3.930 1.00 0.00 C ATOM 1994 CG ASN A 630 -0.654 10.527 3.579 1.00 0.00 C ATOM 1995 OD1 ASN A 630 -1.852 10.391 3.327 1.00 0.00 O ATOM 1996 ND2 ASN A 630 -0.055 11.705 3.551 1.00 0.00 N ATOM 0 H ASN A 630 0.919 6.767 4.961 1.00 0.00 H new ATOM 0 HA ASN A 630 -1.417 8.572 5.088 1.00 0.00 H new ATOM 0 HB2 ASN A 630 0.982 9.648 4.642 1.00 0.00 H new ATOM 0 HB3 ASN A 630 0.738 8.996 3.034 1.00 0.00 H new ATOM 0 HD21 ASN A 630 -0.587 12.542 3.314 1.00 0.00 H new ATOM 0 HD22 ASN A 630 0.940 11.777 3.766 1.00 0.00 H new ATOM 2003 N VAL A 631 -2.217 7.675 2.805 1.00 0.00 N ATOM 2004 CA VAL A 631 -2.784 6.955 1.685 1.00 0.00 C ATOM 2005 C VAL A 631 -2.349 7.631 0.393 1.00 0.00 C ATOM 2006 O VAL A 631 -2.013 8.815 0.384 1.00 0.00 O ATOM 2007 CB VAL A 631 -4.329 6.902 1.764 1.00 0.00 C ATOM 2008 CG1 VAL A 631 -4.909 6.098 0.616 1.00 0.00 C ATOM 2009 CG2 VAL A 631 -4.784 6.318 3.089 1.00 0.00 C ATOM 0 H VAL A 631 -2.753 8.495 3.090 1.00 0.00 H new ATOM 0 HA VAL A 631 -2.421 5.928 1.712 1.00 0.00 H new ATOM 0 HB VAL A 631 -4.696 7.925 1.688 1.00 0.00 H new ATOM 0 HG11 VAL A 631 -5.996 6.078 0.698 1.00 0.00 H new ATOM 0 HG12 VAL A 631 -4.625 6.558 -0.330 1.00 0.00 H new ATOM 0 HG13 VAL A 631 -4.524 5.079 0.654 1.00 0.00 H new ATOM 0 HG21 VAL A 631 -5.873 6.291 3.120 1.00 0.00 H new ATOM 0 HG22 VAL A 631 -4.393 5.306 3.194 1.00 0.00 H new ATOM 0 HG23 VAL A 631 -4.413 6.937 3.906 1.00 0.00 H new ATOM 2019 N LEU A 632 -2.368 6.892 -0.695 1.00 0.00 N ATOM 2020 CA LEU A 632 -1.793 7.371 -1.930 1.00 0.00 C ATOM 2021 C LEU A 632 -2.875 7.553 -2.978 1.00 0.00 C ATOM 2022 O LEU A 632 -3.477 6.587 -3.435 1.00 0.00 O ATOM 2023 CB LEU A 632 -0.740 6.384 -2.416 1.00 0.00 C ATOM 2024 CG LEU A 632 0.306 5.982 -1.371 1.00 0.00 C ATOM 2025 CD1 LEU A 632 1.258 4.935 -1.939 1.00 0.00 C ATOM 2026 CD2 LEU A 632 1.067 7.205 -0.880 1.00 0.00 C ATOM 0 H LEU A 632 -2.775 5.958 -0.748 1.00 0.00 H new ATOM 0 HA LEU A 632 -1.321 8.338 -1.756 1.00 0.00 H new ATOM 0 HB2 LEU A 632 -1.243 5.484 -2.768 1.00 0.00 H new ATOM 0 HB3 LEU A 632 -0.226 6.818 -3.274 1.00 0.00 H new ATOM 0 HG LEU A 632 -0.209 5.540 -0.518 1.00 0.00 H new ATOM 0 HD11 LEU A 632 1.993 4.663 -1.182 1.00 0.00 H new ATOM 0 HD12 LEU A 632 0.693 4.050 -2.231 1.00 0.00 H new ATOM 0 HD13 LEU A 632 1.769 5.343 -2.811 1.00 0.00 H new ATOM 0 HD21 LEU A 632 1.806 6.900 -0.138 1.00 0.00 H new ATOM 0 HD22 LEU A 632 1.572 7.681 -1.721 1.00 0.00 H new ATOM 0 HD23 LEU A 632 0.369 7.911 -0.429 1.00 0.00 H new ATOM 2038 N GLN A 633 -3.124 8.794 -3.351 1.00 0.00 N ATOM 2039 CA GLN A 633 -4.169 9.093 -4.310 1.00 0.00 C ATOM 2040 C GLN A 633 -3.582 9.686 -5.577 1.00 0.00 C ATOM 2041 O GLN A 633 -3.151 10.841 -5.602 1.00 0.00 O ATOM 2042 CB GLN A 633 -5.209 10.042 -3.715 1.00 0.00 C ATOM 2043 CG GLN A 633 -6.364 10.339 -4.663 1.00 0.00 C ATOM 2044 CD GLN A 633 -7.413 11.244 -4.052 1.00 0.00 C ATOM 2045 OE1 GLN A 633 -7.630 11.239 -2.841 1.00 0.00 O ATOM 2046 NE2 GLN A 633 -8.061 12.040 -4.888 1.00 0.00 N ATOM 0 H GLN A 633 -2.618 9.609 -3.005 1.00 0.00 H new ATOM 0 HA GLN A 633 -4.666 8.156 -4.561 1.00 0.00 H new ATOM 0 HB2 GLN A 633 -5.604 9.608 -2.797 1.00 0.00 H new ATOM 0 HB3 GLN A 633 -4.722 10.978 -3.441 1.00 0.00 H new ATOM 0 HG2 GLN A 633 -5.973 10.804 -5.568 1.00 0.00 H new ATOM 0 HG3 GLN A 633 -6.831 9.401 -4.963 1.00 0.00 H new ATOM 0 HE21 GLN A 633 -7.850 12.012 -5.886 1.00 0.00 H new ATOM 0 HE22 GLN A 633 -8.771 12.681 -4.535 1.00 0.00 H new ATOM 2055 N ALA A 634 -3.551 8.879 -6.615 1.00 0.00 N ATOM 2056 CA ALA A 634 -3.079 9.317 -7.912 1.00 0.00 C ATOM 2057 C ALA A 634 -4.261 9.450 -8.859 1.00 0.00 C ATOM 2058 O ALA A 634 -4.728 10.585 -9.063 1.00 0.00 O ATOM 2059 CB ALA A 634 -2.033 8.351 -8.463 1.00 0.00 C ATOM 2060 OXT ALA A 634 -4.754 8.415 -9.354 1.00 0.00 O1- ATOM 0 H ALA A 634 -3.851 7.904 -6.585 1.00 0.00 H new ATOM 0 HA ALA A 634 -2.599 10.290 -7.811 1.00 0.00 H new ATOM 0 HB1 ALA A 634 -1.693 8.700 -9.438 1.00 0.00 H new ATOM 0 HB2 ALA A 634 -1.186 8.303 -7.779 1.00 0.00 H new ATOM 0 HB3 ALA A 634 -2.472 7.359 -8.566 1.00 0.00 H new TER 2066 ALA A 634