USER MOD reduce.3.24.130724 H: found=0, std=0, add=660, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 660 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 22 CYS SG : rot -21:sc= -3.58! USER MOD Set 1.2: A 26 HIS : no HD1:sc= -3.22! C(o=-6.8!,f=-18!) USER MOD Set 2.1: A 7 SER OG : rot 180:sc= 0.308 USER MOD Set 2.2: A 8 THR OG1 : rot 180:sc= 0.0332 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 HIS : no HD1:sc= -0.605 X(o=-0.61,f=-0.41) USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot -33:sc= 0.54 USER MOD Single : A 33 THR OG1 : rot 180:sc= -0.664 USER MOD Single : A 36 THR OG1 : rot 180:sc= -0.333 USER MOD Single : A 41 THR OG1 : rot 180:sc= -0.584 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 43 TYR OH : rot -170:sc= -3.05! USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 60 HIS : no HD1:sc= -2.17! K(o=-2.2!,f=-1.3) USER MOD Single : A 64 SER OG : rot 20:sc= 0.408! USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 HIS : no HE2:sc= -3.35! C(o=-3.3!,f=-5.5!) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0.00087 USER MOD Single : A 80 SER OG : rot 55:sc= 0.929 USER MOD Single : A 81 THR OG1 : rot 75:sc= 0.989 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 15.480 -10.561 -1.799 1.00 0.00 N ATOM 2 CA GLY A 1 16.695 -11.410 -1.645 1.00 0.00 C ATOM 3 C GLY A 1 17.127 -11.933 -3.010 1.00 0.00 C ATOM 4 O GLY A 1 17.878 -11.272 -3.730 1.00 0.00 O ATOM 0 H1 GLY A 1 15.185 -10.204 -0.868 1.00 0.00 H new ATOM 0 H2 GLY A 1 15.694 -9.759 -2.425 1.00 0.00 H new ATOM 0 H3 GLY A 1 14.711 -11.127 -2.212 1.00 0.00 H new ATOM 0 HA2 GLY A 1 17.501 -10.831 -1.194 1.00 0.00 H new ATOM 0 HA3 GLY A 1 16.487 -12.243 -0.974 1.00 0.00 H new ATOM 10 N HIS A 2 16.649 -13.122 -3.362 1.00 0.00 N ATOM 11 CA HIS A 2 16.993 -13.724 -4.645 1.00 0.00 C ATOM 12 C HIS A 2 16.066 -14.894 -4.956 1.00 0.00 C ATOM 13 O HIS A 2 16.522 -16.008 -5.211 1.00 0.00 O ATOM 14 CB HIS A 2 18.443 -14.212 -4.621 1.00 0.00 C ATOM 15 CG HIS A 2 18.845 -14.657 -6.000 1.00 0.00 C ATOM 16 ND1 HIS A 2 18.996 -13.765 -7.050 1.00 0.00 N ATOM 17 CD2 HIS A 2 19.130 -15.897 -6.517 1.00 0.00 C ATOM 18 CE1 HIS A 2 19.359 -14.473 -8.135 1.00 0.00 C ATOM 19 NE2 HIS A 2 19.455 -15.777 -7.866 1.00 0.00 N ATOM 0 H HIS A 2 16.027 -13.684 -2.782 1.00 0.00 H new ATOM 0 HA HIS A 2 16.876 -12.968 -5.421 1.00 0.00 H new ATOM 0 HB2 HIS A 2 19.101 -13.413 -4.279 1.00 0.00 H new ATOM 0 HB3 HIS A 2 18.549 -15.036 -3.916 1.00 0.00 H new ATOM 0 HD2 HIS A 2 19.106 -16.823 -5.962 1.00 0.00 H new ATOM 0 HE1 HIS A 2 19.550 -14.039 -9.105 1.00 0.00 H new ATOM 0 HE2 HIS A 2 19.711 -16.525 -8.510 1.00 0.00 H new ATOM 28 N MET A 3 14.761 -14.635 -4.932 1.00 0.00 N ATOM 29 CA MET A 3 13.776 -15.676 -5.212 1.00 0.00 C ATOM 30 C MET A 3 12.497 -15.057 -5.774 1.00 0.00 C ATOM 31 O MET A 3 11.429 -15.163 -5.170 1.00 0.00 O ATOM 32 CB MET A 3 13.454 -16.450 -3.928 1.00 0.00 C ATOM 33 CG MET A 3 13.365 -15.472 -2.755 1.00 0.00 C ATOM 34 SD MET A 3 12.775 -16.343 -1.278 1.00 0.00 S ATOM 35 CE MET A 3 14.386 -16.922 -0.688 1.00 0.00 C ATOM 0 H MET A 3 14.363 -13.719 -4.723 1.00 0.00 H new ATOM 0 HA MET A 3 14.192 -16.361 -5.951 1.00 0.00 H new ATOM 0 HB2 MET A 3 12.512 -16.987 -4.040 1.00 0.00 H new ATOM 0 HB3 MET A 3 14.225 -17.196 -3.736 1.00 0.00 H new ATOM 0 HG2 MET A 3 14.343 -15.030 -2.562 1.00 0.00 H new ATOM 0 HG3 MET A 3 12.688 -14.654 -3.001 1.00 0.00 H new ATOM 0 HE1 MET A 3 14.253 -17.493 0.231 1.00 0.00 H new ATOM 0 HE2 MET A 3 14.845 -17.556 -1.446 1.00 0.00 H new ATOM 0 HE3 MET A 3 15.031 -16.065 -0.493 1.00 0.00 H new ATOM 45 N SER A 4 12.615 -14.405 -6.924 1.00 0.00 N ATOM 46 CA SER A 4 11.461 -13.769 -7.545 1.00 0.00 C ATOM 47 C SER A 4 10.338 -14.782 -7.737 1.00 0.00 C ATOM 48 O SER A 4 10.553 -15.869 -8.270 1.00 0.00 O ATOM 49 CB SER A 4 11.855 -13.187 -8.902 1.00 0.00 C ATOM 50 OG SER A 4 10.712 -12.602 -9.512 1.00 0.00 O ATOM 0 H SER A 4 13.489 -14.303 -7.441 1.00 0.00 H new ATOM 0 HA SER A 4 11.113 -12.969 -6.892 1.00 0.00 H new ATOM 0 HB2 SER A 4 12.637 -12.439 -8.776 1.00 0.00 H new ATOM 0 HB3 SER A 4 12.262 -13.970 -9.542 1.00 0.00 H new ATOM 0 HG SER A 4 10.962 -12.226 -10.382 1.00 0.00 H new ATOM 56 N ASP A 5 9.143 -14.416 -7.296 1.00 0.00 N ATOM 57 CA ASP A 5 7.993 -15.301 -7.420 1.00 0.00 C ATOM 58 C ASP A 5 6.704 -14.549 -7.105 1.00 0.00 C ATOM 59 O ASP A 5 5.996 -14.896 -6.161 1.00 0.00 O ATOM 60 CB ASP A 5 8.134 -16.479 -6.453 1.00 0.00 C ATOM 61 CG ASP A 5 6.979 -17.455 -6.652 1.00 0.00 C ATOM 62 OD1 ASP A 5 6.078 -17.128 -7.406 1.00 0.00 O ATOM 63 OD2 ASP A 5 7.013 -18.513 -6.047 1.00 0.00 O ATOM 0 H ASP A 5 8.945 -13.519 -6.852 1.00 0.00 H new ATOM 0 HA ASP A 5 7.952 -15.669 -8.445 1.00 0.00 H new ATOM 0 HB2 ASP A 5 9.084 -16.987 -6.621 1.00 0.00 H new ATOM 0 HB3 ASP A 5 8.143 -16.118 -5.425 1.00 0.00 H new ATOM 68 N LEU A 6 6.408 -13.513 -7.882 1.00 0.00 N ATOM 69 CA LEU A 6 5.201 -12.726 -7.647 1.00 0.00 C ATOM 70 C LEU A 6 3.974 -13.475 -8.162 1.00 0.00 C ATOM 71 O LEU A 6 3.193 -14.015 -7.381 1.00 0.00 O ATOM 72 CB LEU A 6 5.330 -11.360 -8.343 1.00 0.00 C ATOM 73 CG LEU A 6 4.512 -10.287 -7.626 1.00 0.00 C ATOM 74 CD1 LEU A 6 3.076 -10.782 -7.465 1.00 0.00 C ATOM 75 CD2 LEU A 6 5.146 -9.962 -6.262 1.00 0.00 C ATOM 0 H LEU A 6 6.977 -13.201 -8.669 1.00 0.00 H new ATOM 0 HA LEU A 6 5.080 -12.566 -6.576 1.00 0.00 H new ATOM 0 HB2 LEU A 6 6.378 -11.062 -8.371 1.00 0.00 H new ATOM 0 HB3 LEU A 6 4.995 -11.444 -9.377 1.00 0.00 H new ATOM 0 HG LEU A 6 4.504 -9.369 -8.214 1.00 0.00 H new ATOM 0 HD11 LEU A 6 2.484 -10.022 -6.954 1.00 0.00 H new ATOM 0 HD12 LEU A 6 2.646 -10.977 -8.447 1.00 0.00 H new ATOM 0 HD13 LEU A 6 3.071 -11.701 -6.878 1.00 0.00 H new ATOM 0 HD21 LEU A 6 4.555 -9.196 -5.759 1.00 0.00 H new ATOM 0 HD22 LEU A 6 5.170 -10.862 -5.648 1.00 0.00 H new ATOM 0 HD23 LEU A 6 6.162 -9.597 -6.411 1.00 0.00 H new ATOM 87 N SER A 7 3.815 -13.505 -9.483 1.00 0.00 N ATOM 88 CA SER A 7 2.685 -14.191 -10.099 1.00 0.00 C ATOM 89 C SER A 7 1.415 -13.968 -9.293 1.00 0.00 C ATOM 90 O SER A 7 1.337 -13.045 -8.484 1.00 0.00 O ATOM 91 CB SER A 7 2.981 -15.685 -10.183 1.00 0.00 C ATOM 92 OG SER A 7 1.985 -16.315 -10.974 1.00 0.00 O ATOM 0 H SER A 7 4.453 -13.063 -10.145 1.00 0.00 H new ATOM 0 HA SER A 7 2.536 -13.787 -11.100 1.00 0.00 H new ATOM 0 HB2 SER A 7 3.966 -15.849 -10.620 1.00 0.00 H new ATOM 0 HB3 SER A 7 2.999 -16.121 -9.184 1.00 0.00 H new ATOM 0 HG SER A 7 2.172 -17.275 -11.032 1.00 0.00 H new ATOM 98 N THR A 8 0.423 -14.813 -9.511 1.00 0.00 N ATOM 99 CA THR A 8 -0.835 -14.690 -8.788 1.00 0.00 C ATOM 100 C THR A 8 -0.653 -15.119 -7.336 1.00 0.00 C ATOM 101 O THR A 8 -1.624 -15.379 -6.627 1.00 0.00 O ATOM 102 CB THR A 8 -1.899 -15.571 -9.448 1.00 0.00 C ATOM 103 OG1 THR A 8 -1.329 -16.827 -9.778 1.00 0.00 O ATOM 104 CG2 THR A 8 -2.420 -14.896 -10.721 1.00 0.00 C ATOM 0 H THR A 8 0.460 -15.586 -10.176 1.00 0.00 H new ATOM 0 HA THR A 8 -1.154 -13.648 -8.815 1.00 0.00 H new ATOM 0 HB THR A 8 -2.728 -15.714 -8.755 1.00 0.00 H new ATOM 0 HG1 THR A 8 -2.008 -17.394 -10.199 1.00 0.00 H new ATOM 0 HG21 THR A 8 -3.177 -15.529 -11.185 1.00 0.00 H new ATOM 0 HG22 THR A 8 -2.860 -13.931 -10.468 1.00 0.00 H new ATOM 0 HG23 THR A 8 -1.595 -14.747 -11.418 1.00 0.00 H new ATOM 112 N ALA A 9 0.602 -15.192 -6.901 1.00 0.00 N ATOM 113 CA ALA A 9 0.915 -15.594 -5.530 1.00 0.00 C ATOM 114 C ALA A 9 2.037 -14.729 -4.961 1.00 0.00 C ATOM 115 O ALA A 9 3.170 -15.191 -4.811 1.00 0.00 O ATOM 116 CB ALA A 9 1.331 -17.062 -5.510 1.00 0.00 C ATOM 0 H ALA A 9 1.418 -14.979 -7.475 1.00 0.00 H new ATOM 0 HA ALA A 9 0.027 -15.459 -4.913 1.00 0.00 H new ATOM 0 HB1 ALA A 9 1.564 -17.360 -4.488 1.00 0.00 H new ATOM 0 HB2 ALA A 9 0.515 -17.677 -5.890 1.00 0.00 H new ATOM 0 HB3 ALA A 9 2.212 -17.199 -6.138 1.00 0.00 H new ATOM 122 N PRO A 10 1.741 -13.500 -4.638 1.00 0.00 N ATOM 123 CA PRO A 10 2.739 -12.548 -4.072 1.00 0.00 C ATOM 124 C PRO A 10 3.071 -12.899 -2.618 1.00 0.00 C ATOM 125 O PRO A 10 2.293 -13.569 -1.940 1.00 0.00 O ATOM 126 CB PRO A 10 2.046 -11.168 -4.175 1.00 0.00 C ATOM 127 CG PRO A 10 0.753 -11.396 -4.911 1.00 0.00 C ATOM 128 CD PRO A 10 0.423 -12.875 -4.773 1.00 0.00 C ATOM 0 HA PRO A 10 3.690 -12.573 -4.603 1.00 0.00 H new ATOM 0 HB2 PRO A 10 1.861 -10.751 -3.185 1.00 0.00 H new ATOM 0 HB3 PRO A 10 2.676 -10.456 -4.708 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -0.044 -10.781 -4.492 1.00 0.00 H new ATOM 0 HG3 PRO A 10 0.851 -11.118 -5.960 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -0.205 -13.068 -3.904 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -0.114 -13.251 -5.644 1.00 0.00 H new ATOM 136 N THR A 11 4.226 -12.435 -2.144 1.00 0.00 N ATOM 137 CA THR A 11 4.653 -12.696 -0.766 1.00 0.00 C ATOM 138 C THR A 11 4.544 -11.424 0.067 1.00 0.00 C ATOM 139 O THR A 11 4.571 -10.314 -0.465 1.00 0.00 O ATOM 140 CB THR A 11 6.107 -13.186 -0.758 1.00 0.00 C ATOM 141 OG1 THR A 11 6.241 -14.283 -1.650 1.00 0.00 O ATOM 142 CG2 THR A 11 6.505 -13.625 0.655 1.00 0.00 C ATOM 0 H THR A 11 4.883 -11.878 -2.690 1.00 0.00 H new ATOM 0 HA THR A 11 4.007 -13.462 -0.337 1.00 0.00 H new ATOM 0 HB THR A 11 6.760 -12.373 -1.076 1.00 0.00 H new ATOM 0 HG1 THR A 11 7.170 -14.596 -1.647 1.00 0.00 H new ATOM 0 HG21 THR A 11 7.539 -13.971 0.651 1.00 0.00 H new ATOM 0 HG22 THR A 11 6.407 -12.782 1.339 1.00 0.00 H new ATOM 0 HG23 THR A 11 5.852 -14.435 0.982 1.00 0.00 H new ATOM 150 N LEU A 12 4.399 -11.601 1.374 1.00 0.00 N ATOM 151 CA LEU A 12 4.261 -10.470 2.281 1.00 0.00 C ATOM 152 C LEU A 12 5.350 -9.442 2.014 1.00 0.00 C ATOM 153 O LEU A 12 5.101 -8.236 2.046 1.00 0.00 O ATOM 154 CB LEU A 12 4.373 -10.951 3.734 1.00 0.00 C ATOM 155 CG LEU A 12 3.106 -11.715 4.127 1.00 0.00 C ATOM 156 CD1 LEU A 12 3.005 -13.022 3.324 1.00 0.00 C ATOM 157 CD2 LEU A 12 3.153 -12.031 5.627 1.00 0.00 C ATOM 0 H LEU A 12 4.374 -12.514 1.828 1.00 0.00 H new ATOM 0 HA LEU A 12 3.285 -10.013 2.117 1.00 0.00 H new ATOM 0 HB2 LEU A 12 5.246 -11.594 3.848 1.00 0.00 H new ATOM 0 HB3 LEU A 12 4.516 -10.099 4.399 1.00 0.00 H new ATOM 0 HG LEU A 12 2.233 -11.101 3.908 1.00 0.00 H new ATOM 0 HD11 LEU A 12 2.100 -13.557 3.612 1.00 0.00 H new ATOM 0 HD12 LEU A 12 2.968 -12.793 2.259 1.00 0.00 H new ATOM 0 HD13 LEU A 12 3.876 -13.644 3.531 1.00 0.00 H new ATOM 0 HD21 LEU A 12 2.253 -12.575 5.913 1.00 0.00 H new ATOM 0 HD22 LEU A 12 4.030 -12.641 5.843 1.00 0.00 H new ATOM 0 HD23 LEU A 12 3.210 -11.101 6.193 1.00 0.00 H new ATOM 169 N ASP A 13 6.552 -9.925 1.745 1.00 0.00 N ATOM 170 CA ASP A 13 7.662 -9.031 1.476 1.00 0.00 C ATOM 171 C ASP A 13 7.514 -8.385 0.116 1.00 0.00 C ATOM 172 O ASP A 13 7.856 -7.220 -0.053 1.00 0.00 O ATOM 173 CB ASP A 13 9.001 -9.780 1.536 1.00 0.00 C ATOM 174 CG ASP A 13 8.884 -10.985 2.467 1.00 0.00 C ATOM 175 OD1 ASP A 13 8.398 -10.808 3.572 1.00 0.00 O ATOM 176 OD2 ASP A 13 9.272 -12.066 2.057 1.00 0.00 O ATOM 0 H ASP A 13 6.781 -10.918 1.708 1.00 0.00 H new ATOM 0 HA ASP A 13 7.652 -8.259 2.245 1.00 0.00 H new ATOM 0 HB2 ASP A 13 9.289 -10.108 0.537 1.00 0.00 H new ATOM 0 HB3 ASP A 13 9.786 -9.111 1.890 1.00 0.00 H new ATOM 181 N SER A 14 6.997 -9.137 -0.851 1.00 0.00 N ATOM 182 CA SER A 14 6.815 -8.603 -2.187 1.00 0.00 C ATOM 183 C SER A 14 5.745 -7.528 -2.191 1.00 0.00 C ATOM 184 O SER A 14 5.866 -6.504 -2.881 1.00 0.00 O ATOM 185 CB SER A 14 6.431 -9.701 -3.152 1.00 0.00 C ATOM 186 OG SER A 14 5.123 -10.166 -2.844 1.00 0.00 O ATOM 0 H SER A 14 6.701 -10.106 -0.732 1.00 0.00 H new ATOM 0 HA SER A 14 7.761 -8.165 -2.505 1.00 0.00 H new ATOM 0 HB2 SER A 14 6.464 -9.328 -4.176 1.00 0.00 H new ATOM 0 HB3 SER A 14 7.145 -10.522 -3.088 1.00 0.00 H new ATOM 0 HG SER A 14 4.977 -10.113 -1.876 1.00 0.00 H new ATOM 192 N LEU A 15 4.672 -7.746 -1.449 1.00 0.00 N ATOM 193 CA LEU A 15 3.617 -6.753 -1.421 1.00 0.00 C ATOM 194 C LEU A 15 4.075 -5.557 -0.583 1.00 0.00 C ATOM 195 O LEU A 15 4.214 -4.449 -1.091 1.00 0.00 O ATOM 196 CB LEU A 15 2.324 -7.343 -0.845 1.00 0.00 C ATOM 197 CG LEU A 15 1.972 -8.634 -1.612 1.00 0.00 C ATOM 198 CD1 LEU A 15 1.134 -9.572 -0.718 1.00 0.00 C ATOM 199 CD2 LEU A 15 1.224 -8.282 -2.926 1.00 0.00 C ATOM 0 H LEU A 15 4.512 -8.574 -0.876 1.00 0.00 H new ATOM 0 HA LEU A 15 3.409 -6.428 -2.440 1.00 0.00 H new ATOM 0 HB2 LEU A 15 2.449 -7.559 0.216 1.00 0.00 H new ATOM 0 HB3 LEU A 15 1.511 -6.622 -0.930 1.00 0.00 H new ATOM 0 HG LEU A 15 2.890 -9.159 -1.877 1.00 0.00 H new ATOM 0 HD11 LEU A 15 0.891 -10.480 -1.270 1.00 0.00 H new ATOM 0 HD12 LEU A 15 1.705 -9.831 0.174 1.00 0.00 H new ATOM 0 HD13 LEU A 15 0.213 -9.068 -0.425 1.00 0.00 H new ATOM 0 HD21 LEU A 15 0.979 -9.199 -3.462 1.00 0.00 H new ATOM 0 HD22 LEU A 15 0.306 -7.744 -2.689 1.00 0.00 H new ATOM 0 HD23 LEU A 15 1.861 -7.656 -3.551 1.00 0.00 H new ATOM 211 N ARG A 16 4.294 -5.802 0.704 1.00 0.00 N ATOM 212 CA ARG A 16 4.713 -4.744 1.621 1.00 0.00 C ATOM 213 C ARG A 16 5.682 -3.778 0.930 1.00 0.00 C ATOM 214 O ARG A 16 5.491 -2.554 0.975 1.00 0.00 O ATOM 215 CB ARG A 16 5.387 -5.375 2.848 1.00 0.00 C ATOM 216 CG ARG A 16 5.975 -4.282 3.771 1.00 0.00 C ATOM 217 CD ARG A 16 7.479 -4.084 3.516 1.00 0.00 C ATOM 218 NE ARG A 16 8.051 -3.291 4.596 1.00 0.00 N ATOM 219 CZ ARG A 16 7.921 -1.969 4.619 1.00 0.00 C ATOM 220 NH1 ARG A 16 7.246 -1.367 3.678 1.00 0.00 N ATOM 221 NH2 ARG A 16 8.455 -1.277 5.587 1.00 0.00 N ATOM 0 H ARG A 16 4.189 -6.720 1.137 1.00 0.00 H new ATOM 0 HA ARG A 16 3.835 -4.179 1.934 1.00 0.00 H new ATOM 0 HB2 ARG A 16 4.662 -5.973 3.400 1.00 0.00 H new ATOM 0 HB3 ARG A 16 6.179 -6.051 2.527 1.00 0.00 H new ATOM 0 HG2 ARG A 16 5.449 -3.342 3.605 1.00 0.00 H new ATOM 0 HG3 ARG A 16 5.814 -4.558 4.813 1.00 0.00 H new ATOM 0 HD2 ARG A 16 7.979 -5.050 3.455 1.00 0.00 H new ATOM 0 HD3 ARG A 16 7.635 -3.583 2.560 1.00 0.00 H new ATOM 0 HE ARG A 16 8.560 -3.758 5.347 1.00 0.00 H new ATOM 0 HH11 ARG A 16 6.820 -1.911 2.928 1.00 0.00 H new ATOM 0 HH12 ARG A 16 7.144 -0.352 3.693 1.00 0.00 H new ATOM 0 HH21 ARG A 16 8.973 -1.751 6.327 1.00 0.00 H new ATOM 0 HH22 ARG A 16 8.355 -0.262 5.604 1.00 0.00 H new ATOM 235 N VAL A 17 6.701 -4.329 0.272 1.00 0.00 N ATOM 236 CA VAL A 17 7.669 -3.502 -0.440 1.00 0.00 C ATOM 237 C VAL A 17 6.962 -2.734 -1.567 1.00 0.00 C ATOM 238 O VAL A 17 7.287 -1.578 -1.837 1.00 0.00 O ATOM 239 CB VAL A 17 8.781 -4.390 -1.013 1.00 0.00 C ATOM 240 CG1 VAL A 17 9.499 -5.147 0.129 1.00 0.00 C ATOM 241 CG2 VAL A 17 8.148 -5.384 -1.970 1.00 0.00 C ATOM 0 H VAL A 17 6.875 -5.333 0.218 1.00 0.00 H new ATOM 0 HA VAL A 17 8.113 -2.783 0.249 1.00 0.00 H new ATOM 0 HB VAL A 17 9.516 -3.777 -1.535 1.00 0.00 H new ATOM 0 HG11 VAL A 17 10.286 -5.774 -0.289 1.00 0.00 H new ATOM 0 HG12 VAL A 17 9.937 -4.429 0.822 1.00 0.00 H new ATOM 0 HG13 VAL A 17 8.780 -5.772 0.659 1.00 0.00 H new ATOM 0 HG21 VAL A 17 8.921 -6.027 -2.390 1.00 0.00 H new ATOM 0 HG22 VAL A 17 7.421 -5.994 -1.433 1.00 0.00 H new ATOM 0 HG23 VAL A 17 7.647 -4.846 -2.774 1.00 0.00 H new ATOM 251 N TRP A 18 5.983 -3.374 -2.226 1.00 0.00 N ATOM 252 CA TRP A 18 5.245 -2.698 -3.301 1.00 0.00 C ATOM 253 C TRP A 18 4.529 -1.445 -2.760 1.00 0.00 C ATOM 254 O TRP A 18 4.643 -0.360 -3.326 1.00 0.00 O ATOM 255 CB TRP A 18 4.219 -3.683 -3.950 1.00 0.00 C ATOM 256 CG TRP A 18 2.789 -3.281 -3.637 1.00 0.00 C ATOM 257 CD1 TRP A 18 1.974 -3.891 -2.737 1.00 0.00 C ATOM 258 CD2 TRP A 18 1.998 -2.184 -4.197 1.00 0.00 C ATOM 259 NE1 TRP A 18 0.772 -3.248 -2.706 1.00 0.00 N ATOM 260 CE2 TRP A 18 0.732 -2.194 -3.571 1.00 0.00 C ATOM 261 CE3 TRP A 18 2.239 -1.194 -5.170 1.00 0.00 C ATOM 262 CZ2 TRP A 18 -0.238 -1.265 -3.864 1.00 0.00 C ATOM 263 CZ3 TRP A 18 1.246 -0.251 -5.472 1.00 0.00 C ATOM 264 CH2 TRP A 18 0.010 -0.296 -4.814 1.00 0.00 C ATOM 0 H TRP A 18 5.691 -4.333 -2.039 1.00 0.00 H new ATOM 0 HA TRP A 18 5.953 -2.380 -4.066 1.00 0.00 H new ATOM 0 HB2 TRP A 18 4.365 -3.703 -5.030 1.00 0.00 H new ATOM 0 HB3 TRP A 18 4.402 -4.694 -3.585 1.00 0.00 H new ATOM 0 HD1 TRP A 18 2.237 -4.751 -2.139 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -0.006 -3.523 -2.106 1.00 0.00 H new ATOM 0 HE3 TRP A 18 3.189 -1.161 -5.683 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -1.189 -1.294 -3.353 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 1.434 0.511 -6.213 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -0.752 0.431 -5.052 1.00 0.00 H new ATOM 275 N LEU A 19 3.783 -1.621 -1.663 1.00 0.00 N ATOM 276 CA LEU A 19 3.035 -0.515 -1.049 1.00 0.00 C ATOM 277 C LEU A 19 3.950 0.652 -0.720 1.00 0.00 C ATOM 278 O LEU A 19 3.757 1.765 -1.217 1.00 0.00 O ATOM 279 CB LEU A 19 2.363 -1.027 0.253 1.00 0.00 C ATOM 280 CG LEU A 19 0.905 -1.476 -0.026 1.00 0.00 C ATOM 281 CD1 LEU A 19 0.527 -2.702 0.812 1.00 0.00 C ATOM 282 CD2 LEU A 19 -0.058 -0.330 0.306 1.00 0.00 C ATOM 0 H LEU A 19 3.681 -2.515 -1.183 1.00 0.00 H new ATOM 0 HA LEU A 19 2.282 -0.166 -1.756 1.00 0.00 H new ATOM 0 HB2 LEU A 19 2.935 -1.861 0.660 1.00 0.00 H new ATOM 0 HB3 LEU A 19 2.369 -0.239 1.006 1.00 0.00 H new ATOM 0 HG LEU A 19 0.832 -1.741 -1.081 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -0.501 -2.990 0.592 1.00 0.00 H new ATOM 0 HD12 LEU A 19 1.195 -3.528 0.570 1.00 0.00 H new ATOM 0 HD13 LEU A 19 0.617 -2.461 1.871 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -1.082 -0.647 0.109 1.00 0.00 H new ATOM 0 HD22 LEU A 19 0.044 -0.063 1.358 1.00 0.00 H new ATOM 0 HD23 LEU A 19 0.179 0.535 -0.313 1.00 0.00 H new ATOM 294 N VAL A 20 4.946 0.408 0.112 1.00 0.00 N ATOM 295 CA VAL A 20 5.852 1.475 0.483 1.00 0.00 C ATOM 296 C VAL A 20 6.548 2.024 -0.754 1.00 0.00 C ATOM 297 O VAL A 20 6.628 3.239 -0.944 1.00 0.00 O ATOM 298 CB VAL A 20 6.873 0.942 1.481 1.00 0.00 C ATOM 299 CG1 VAL A 20 7.682 -0.173 0.825 1.00 0.00 C ATOM 300 CG2 VAL A 20 7.797 2.077 1.912 1.00 0.00 C ATOM 0 H VAL A 20 5.144 -0.499 0.535 1.00 0.00 H new ATOM 0 HA VAL A 20 5.291 2.287 0.946 1.00 0.00 H new ATOM 0 HB VAL A 20 6.363 0.545 2.359 1.00 0.00 H new ATOM 0 HG11 VAL A 20 8.414 -0.558 1.535 1.00 0.00 H new ATOM 0 HG12 VAL A 20 7.013 -0.978 0.522 1.00 0.00 H new ATOM 0 HG13 VAL A 20 8.198 0.219 -0.051 1.00 0.00 H new ATOM 0 HG21 VAL A 20 8.529 1.699 2.626 1.00 0.00 H new ATOM 0 HG22 VAL A 20 8.314 2.476 1.040 1.00 0.00 H new ATOM 0 HG23 VAL A 20 7.209 2.867 2.379 1.00 0.00 H new ATOM 310 N ASP A 21 7.060 1.128 -1.589 1.00 0.00 N ATOM 311 CA ASP A 21 7.756 1.543 -2.798 1.00 0.00 C ATOM 312 C ASP A 21 6.838 2.387 -3.674 1.00 0.00 C ATOM 313 O ASP A 21 7.283 3.324 -4.343 1.00 0.00 O ATOM 314 CB ASP A 21 8.222 0.309 -3.573 1.00 0.00 C ATOM 315 CG ASP A 21 8.942 0.729 -4.849 1.00 0.00 C ATOM 316 OD1 ASP A 21 9.029 1.921 -5.095 1.00 0.00 O ATOM 317 OD2 ASP A 21 9.409 -0.148 -5.559 1.00 0.00 O ATOM 0 H ASP A 21 7.007 0.119 -1.452 1.00 0.00 H new ATOM 0 HA ASP A 21 8.622 2.143 -2.518 1.00 0.00 H new ATOM 0 HB2 ASP A 21 8.888 -0.290 -2.951 1.00 0.00 H new ATOM 0 HB3 ASP A 21 7.366 -0.319 -3.820 1.00 0.00 H new ATOM 322 N CYS A 22 5.554 2.056 -3.657 1.00 0.00 N ATOM 323 CA CYS A 22 4.584 2.798 -4.445 1.00 0.00 C ATOM 324 C CYS A 22 4.514 4.246 -3.982 1.00 0.00 C ATOM 325 O CYS A 22 4.555 5.168 -4.796 1.00 0.00 O ATOM 326 CB CYS A 22 3.202 2.167 -4.321 1.00 0.00 C ATOM 327 SG CYS A 22 2.089 2.978 -5.490 1.00 0.00 S ATOM 0 H CYS A 22 5.164 1.287 -3.112 1.00 0.00 H new ATOM 0 HA CYS A 22 4.904 2.768 -5.486 1.00 0.00 H new ATOM 0 HB2 CYS A 22 3.254 1.098 -4.528 1.00 0.00 H new ATOM 0 HB3 CYS A 22 2.826 2.276 -3.304 1.00 0.00 H new ATOM 0 HG CYS A 22 2.566 4.146 -5.804 1.00 0.00 H new ATOM 333 N VAL A 23 4.406 4.447 -2.670 1.00 0.00 N ATOM 334 CA VAL A 23 4.330 5.805 -2.139 1.00 0.00 C ATOM 335 C VAL A 23 5.614 6.561 -2.482 1.00 0.00 C ATOM 336 O VAL A 23 5.565 7.700 -2.947 1.00 0.00 O ATOM 337 CB VAL A 23 4.150 5.765 -0.623 1.00 0.00 C ATOM 338 CG1 VAL A 23 3.916 7.175 -0.064 1.00 0.00 C ATOM 339 CG2 VAL A 23 2.960 4.878 -0.258 1.00 0.00 C ATOM 0 H VAL A 23 4.370 3.706 -1.970 1.00 0.00 H new ATOM 0 HA VAL A 23 3.476 6.315 -2.585 1.00 0.00 H new ATOM 0 HB VAL A 23 5.061 5.356 -0.186 1.00 0.00 H new ATOM 0 HG11 VAL A 23 3.791 7.121 1.017 1.00 0.00 H new ATOM 0 HG12 VAL A 23 4.773 7.806 -0.299 1.00 0.00 H new ATOM 0 HG13 VAL A 23 3.018 7.600 -0.513 1.00 0.00 H new ATOM 0 HG21 VAL A 23 2.841 4.857 0.825 1.00 0.00 H new ATOM 0 HG22 VAL A 23 2.055 5.278 -0.715 1.00 0.00 H new ATOM 0 HG23 VAL A 23 3.135 3.866 -0.624 1.00 0.00 H new ATOM 349 N ALA A 24 6.767 5.927 -2.251 1.00 0.00 N ATOM 350 CA ALA A 24 8.045 6.571 -2.544 1.00 0.00 C ATOM 351 C ALA A 24 8.033 7.132 -3.956 1.00 0.00 C ATOM 352 O ALA A 24 8.374 8.288 -4.174 1.00 0.00 O ATOM 353 CB ALA A 24 9.188 5.562 -2.409 1.00 0.00 C ATOM 0 H ALA A 24 6.840 4.984 -1.868 1.00 0.00 H new ATOM 0 HA ALA A 24 8.196 7.383 -1.833 1.00 0.00 H new ATOM 0 HB1 ALA A 24 10.135 6.054 -2.630 1.00 0.00 H new ATOM 0 HB2 ALA A 24 9.210 5.171 -1.392 1.00 0.00 H new ATOM 0 HB3 ALA A 24 9.033 4.741 -3.109 1.00 0.00 H new ATOM 359 N GLY A 25 7.650 6.301 -4.910 1.00 0.00 N ATOM 360 CA GLY A 25 7.603 6.740 -6.294 1.00 0.00 C ATOM 361 C GLY A 25 6.605 7.883 -6.461 1.00 0.00 C ATOM 362 O GLY A 25 6.876 8.851 -7.170 1.00 0.00 O ATOM 0 H GLY A 25 7.371 5.332 -4.756 1.00 0.00 H new ATOM 0 HA2 GLY A 25 8.594 7.065 -6.612 1.00 0.00 H new ATOM 0 HA3 GLY A 25 7.320 5.906 -6.936 1.00 0.00 H new ATOM 366 N HIS A 26 5.443 7.761 -5.818 1.00 0.00 N ATOM 367 CA HIS A 26 4.414 8.793 -5.933 1.00 0.00 C ATOM 368 C HIS A 26 4.941 10.158 -5.496 1.00 0.00 C ATOM 369 O HIS A 26 4.835 11.135 -6.237 1.00 0.00 O ATOM 370 CB HIS A 26 3.206 8.423 -5.062 1.00 0.00 C ATOM 371 CG HIS A 26 2.449 7.287 -5.691 1.00 0.00 C ATOM 372 ND1 HIS A 26 2.374 7.115 -7.065 1.00 0.00 N ATOM 373 CD2 HIS A 26 1.712 6.265 -5.146 1.00 0.00 C ATOM 374 CE1 HIS A 26 1.616 6.029 -7.295 1.00 0.00 C ATOM 375 NE2 HIS A 26 1.187 5.474 -6.160 1.00 0.00 N ATOM 0 H HIS A 26 5.194 6.972 -5.222 1.00 0.00 H new ATOM 0 HA HIS A 26 4.120 8.853 -6.981 1.00 0.00 H new ATOM 0 HB2 HIS A 26 3.540 8.140 -4.064 1.00 0.00 H new ATOM 0 HB3 HIS A 26 2.552 9.287 -4.946 1.00 0.00 H new ATOM 0 HD2 HIS A 26 1.563 6.101 -4.089 1.00 0.00 H new ATOM 0 HE1 HIS A 26 1.382 5.651 -8.279 1.00 0.00 H new ATOM 0 HE2 HIS A 26 0.600 4.646 -6.059 1.00 0.00 H new ATOM 384 N LEU A 27 5.503 10.233 -4.289 1.00 0.00 N ATOM 385 CA LEU A 27 6.030 11.504 -3.791 1.00 0.00 C ATOM 386 C LEU A 27 7.441 11.748 -4.318 1.00 0.00 C ATOM 387 O LEU A 27 7.835 12.886 -4.570 1.00 0.00 O ATOM 388 CB LEU A 27 6.036 11.473 -2.261 1.00 0.00 C ATOM 389 CG LEU A 27 4.636 11.102 -1.747 1.00 0.00 C ATOM 390 CD1 LEU A 27 4.670 10.975 -0.220 1.00 0.00 C ATOM 391 CD2 LEU A 27 3.624 12.188 -2.143 1.00 0.00 C ATOM 0 H LEU A 27 5.604 9.445 -3.649 1.00 0.00 H new ATOM 0 HA LEU A 27 5.395 12.318 -4.142 1.00 0.00 H new ATOM 0 HB2 LEU A 27 6.769 10.749 -1.905 1.00 0.00 H new ATOM 0 HB3 LEU A 27 6.332 12.446 -1.869 1.00 0.00 H new ATOM 0 HG LEU A 27 4.335 10.153 -2.190 1.00 0.00 H new ATOM 0 HD11 LEU A 27 3.677 10.712 0.145 1.00 0.00 H new ATOM 0 HD12 LEU A 27 5.379 10.198 0.065 1.00 0.00 H new ATOM 0 HD13 LEU A 27 4.978 11.925 0.217 1.00 0.00 H new ATOM 0 HD21 LEU A 27 2.635 11.916 -1.774 1.00 0.00 H new ATOM 0 HD22 LEU A 27 3.924 13.141 -1.707 1.00 0.00 H new ATOM 0 HD23 LEU A 27 3.594 12.279 -3.229 1.00 0.00 H new ATOM 403 N GLY A 28 8.201 10.665 -4.468 1.00 0.00 N ATOM 404 CA GLY A 28 9.583 10.731 -4.946 1.00 0.00 C ATOM 405 C GLY A 28 10.577 10.637 -3.786 1.00 0.00 C ATOM 406 O GLY A 28 11.790 10.613 -4.000 1.00 0.00 O ATOM 0 H GLY A 28 7.879 9.719 -4.263 1.00 0.00 H new ATOM 0 HA2 GLY A 28 9.765 9.920 -5.651 1.00 0.00 H new ATOM 0 HA3 GLY A 28 9.739 11.664 -5.487 1.00 0.00 H new ATOM 410 N LEU A 29 10.064 10.587 -2.558 1.00 0.00 N ATOM 411 CA LEU A 29 10.925 10.503 -1.378 1.00 0.00 C ATOM 412 C LEU A 29 11.576 9.123 -1.293 1.00 0.00 C ATOM 413 O LEU A 29 11.379 8.281 -2.169 1.00 0.00 O ATOM 414 CB LEU A 29 10.117 10.769 -0.105 1.00 0.00 C ATOM 415 CG LEU A 29 9.316 12.065 -0.258 1.00 0.00 C ATOM 416 CD1 LEU A 29 8.494 12.305 1.010 1.00 0.00 C ATOM 417 CD2 LEU A 29 10.267 13.247 -0.495 1.00 0.00 C ATOM 0 H LEU A 29 9.065 10.603 -2.354 1.00 0.00 H new ATOM 0 HA LEU A 29 11.703 11.261 -1.469 1.00 0.00 H new ATOM 0 HB2 LEU A 29 9.443 9.935 0.089 1.00 0.00 H new ATOM 0 HB3 LEU A 29 10.786 10.844 0.752 1.00 0.00 H new ATOM 0 HG LEU A 29 8.647 11.976 -1.114 1.00 0.00 H new ATOM 0 HD11 LEU A 29 7.923 13.227 0.904 1.00 0.00 H new ATOM 0 HD12 LEU A 29 7.810 11.470 1.164 1.00 0.00 H new ATOM 0 HD13 LEU A 29 9.163 12.389 1.867 1.00 0.00 H new ATOM 0 HD21 LEU A 29 9.688 14.164 -0.603 1.00 0.00 H new ATOM 0 HD22 LEU A 29 10.946 13.344 0.353 1.00 0.00 H new ATOM 0 HD23 LEU A 29 10.844 13.073 -1.404 1.00 0.00 H new ATOM 429 N ASP A 30 12.345 8.897 -0.232 1.00 0.00 N ATOM 430 CA ASP A 30 13.017 7.612 -0.041 1.00 0.00 C ATOM 431 C ASP A 30 12.085 6.607 0.634 1.00 0.00 C ATOM 432 O ASP A 30 11.440 6.921 1.631 1.00 0.00 O ATOM 433 CB ASP A 30 14.270 7.800 0.811 1.00 0.00 C ATOM 434 CG ASP A 30 15.357 8.498 0.005 1.00 0.00 C ATOM 435 OD1 ASP A 30 15.232 8.550 -1.209 1.00 0.00 O ATOM 436 OD2 ASP A 30 16.302 8.973 0.612 1.00 0.00 O ATOM 0 H ASP A 30 12.519 9.580 0.505 1.00 0.00 H new ATOM 0 HA ASP A 30 13.297 7.225 -1.020 1.00 0.00 H new ATOM 0 HB2 ASP A 30 14.031 8.388 1.697 1.00 0.00 H new ATOM 0 HB3 ASP A 30 14.630 6.832 1.159 1.00 0.00 H new ATOM 441 N ALA A 31 12.028 5.397 0.078 1.00 0.00 N ATOM 442 CA ALA A 31 11.174 4.348 0.625 1.00 0.00 C ATOM 443 C ALA A 31 11.542 4.016 2.067 1.00 0.00 C ATOM 444 O ALA A 31 10.664 3.759 2.897 1.00 0.00 O ATOM 445 CB ALA A 31 11.290 3.082 -0.230 1.00 0.00 C ATOM 0 H ALA A 31 12.561 5.122 -0.747 1.00 0.00 H new ATOM 0 HA ALA A 31 10.149 4.717 0.611 1.00 0.00 H new ATOM 0 HB1 ALA A 31 10.650 2.303 0.184 1.00 0.00 H new ATOM 0 HB2 ALA A 31 10.979 3.303 -1.251 1.00 0.00 H new ATOM 0 HB3 ALA A 31 12.324 2.738 -0.232 1.00 0.00 H new ATOM 451 N ALA A 32 12.834 4.055 2.376 1.00 0.00 N ATOM 452 CA ALA A 32 13.302 3.758 3.724 1.00 0.00 C ATOM 453 C ALA A 32 12.797 4.777 4.731 1.00 0.00 C ATOM 454 O ALA A 32 12.882 4.562 5.940 1.00 0.00 O ATOM 455 CB ALA A 32 14.830 3.739 3.739 1.00 0.00 C ATOM 0 H ALA A 32 13.573 4.289 1.713 1.00 0.00 H new ATOM 0 HA ALA A 32 12.910 2.782 4.009 1.00 0.00 H new ATOM 0 HB1 ALA A 32 15.181 3.517 4.747 1.00 0.00 H new ATOM 0 HB2 ALA A 32 15.191 2.974 3.052 1.00 0.00 H new ATOM 0 HB3 ALA A 32 15.209 4.713 3.429 1.00 0.00 H new ATOM 461 N THR A 33 12.270 5.894 4.238 1.00 0.00 N ATOM 462 CA THR A 33 11.756 6.940 5.122 1.00 0.00 C ATOM 463 C THR A 33 10.395 7.426 4.645 1.00 0.00 C ATOM 464 O THR A 33 10.072 8.605 4.770 1.00 0.00 O ATOM 465 CB THR A 33 12.746 8.113 5.165 1.00 0.00 C ATOM 466 OG1 THR A 33 13.280 8.328 3.866 1.00 0.00 O ATOM 467 CG2 THR A 33 13.884 7.787 6.138 1.00 0.00 C ATOM 0 H THR A 33 12.187 6.099 3.242 1.00 0.00 H new ATOM 0 HA THR A 33 11.641 6.526 6.124 1.00 0.00 H new ATOM 0 HB THR A 33 12.230 9.013 5.500 1.00 0.00 H new ATOM 0 HG1 THR A 33 13.911 9.078 3.892 1.00 0.00 H new ATOM 0 HG21 THR A 33 14.587 8.620 6.168 1.00 0.00 H new ATOM 0 HG22 THR A 33 13.474 7.621 7.134 1.00 0.00 H new ATOM 0 HG23 THR A 33 14.402 6.888 5.804 1.00 0.00 H new ATOM 475 N ILE A 34 9.594 6.520 4.086 1.00 0.00 N ATOM 476 CA ILE A 34 8.275 6.921 3.599 1.00 0.00 C ATOM 477 C ILE A 34 7.315 7.120 4.757 1.00 0.00 C ATOM 478 O ILE A 34 7.013 8.249 5.139 1.00 0.00 O ATOM 479 CB ILE A 34 7.752 5.847 2.612 1.00 0.00 C ATOM 480 CG1 ILE A 34 8.162 6.243 1.191 1.00 0.00 C ATOM 481 CG2 ILE A 34 6.225 5.675 2.665 1.00 0.00 C ATOM 482 CD1 ILE A 34 7.350 7.450 0.695 1.00 0.00 C ATOM 0 H ILE A 34 9.824 5.534 3.961 1.00 0.00 H new ATOM 0 HA ILE A 34 8.353 7.874 3.076 1.00 0.00 H new ATOM 0 HB ILE A 34 8.192 4.893 2.903 1.00 0.00 H new ATOM 0 HG12 ILE A 34 9.225 6.483 1.170 1.00 0.00 H new ATOM 0 HG13 ILE A 34 8.012 5.399 0.518 1.00 0.00 H new ATOM 0 HG21 ILE A 34 5.920 4.909 1.952 1.00 0.00 H new ATOM 0 HG22 ILE A 34 5.927 5.374 3.669 1.00 0.00 H new ATOM 0 HG23 ILE A 34 5.743 6.619 2.412 1.00 0.00 H new ATOM 0 HD11 ILE A 34 7.663 7.708 -0.317 1.00 0.00 H new ATOM 0 HD12 ILE A 34 6.289 7.199 0.694 1.00 0.00 H new ATOM 0 HD13 ILE A 34 7.521 8.300 1.356 1.00 0.00 H new ATOM 494 N ALA A 35 6.854 6.016 5.313 1.00 0.00 N ATOM 495 CA ALA A 35 5.925 6.062 6.417 1.00 0.00 C ATOM 496 C ALA A 35 5.593 4.656 6.890 1.00 0.00 C ATOM 497 O ALA A 35 4.526 4.425 7.454 1.00 0.00 O ATOM 498 CB ALA A 35 4.624 6.754 5.988 1.00 0.00 C ATOM 0 H ALA A 35 7.111 5.075 5.014 1.00 0.00 H new ATOM 0 HA ALA A 35 6.392 6.621 7.228 1.00 0.00 H new ATOM 0 HB1 ALA A 35 3.932 6.782 6.830 1.00 0.00 H new ATOM 0 HB2 ALA A 35 4.843 7.772 5.664 1.00 0.00 H new ATOM 0 HB3 ALA A 35 4.172 6.201 5.165 1.00 0.00 H new ATOM 504 N THR A 36 6.458 3.694 6.587 1.00 0.00 N ATOM 505 CA THR A 36 6.186 2.297 6.932 1.00 0.00 C ATOM 506 C THR A 36 5.474 2.178 8.271 1.00 0.00 C ATOM 507 O THR A 36 4.504 1.428 8.398 1.00 0.00 O ATOM 508 CB THR A 36 7.507 1.520 7.009 1.00 0.00 C ATOM 509 OG1 THR A 36 8.125 1.777 8.263 1.00 0.00 O ATOM 510 CG2 THR A 36 8.438 1.969 5.882 1.00 0.00 C ATOM 0 H THR A 36 7.345 3.850 6.108 1.00 0.00 H new ATOM 0 HA THR A 36 5.540 1.885 6.157 1.00 0.00 H new ATOM 0 HB THR A 36 7.308 0.453 6.906 1.00 0.00 H new ATOM 0 HG1 THR A 36 8.969 1.282 8.319 1.00 0.00 H new ATOM 0 HG21 THR A 36 9.375 1.414 5.941 1.00 0.00 H new ATOM 0 HG22 THR A 36 7.963 1.778 4.920 1.00 0.00 H new ATOM 0 HG23 THR A 36 8.641 3.035 5.981 1.00 0.00 H new ATOM 518 N ASP A 37 5.948 2.912 9.270 1.00 0.00 N ATOM 519 CA ASP A 37 5.344 2.875 10.597 1.00 0.00 C ATOM 520 C ASP A 37 4.590 4.171 10.870 1.00 0.00 C ATOM 521 O ASP A 37 4.395 4.557 12.021 1.00 0.00 O ATOM 522 CB ASP A 37 6.447 2.706 11.649 1.00 0.00 C ATOM 523 CG ASP A 37 5.830 2.418 13.013 1.00 0.00 C ATOM 524 OD1 ASP A 37 4.618 2.496 13.119 1.00 0.00 O ATOM 525 OD2 ASP A 37 6.577 2.122 13.930 1.00 0.00 O ATOM 0 H ASP A 37 6.748 3.540 9.187 1.00 0.00 H new ATOM 0 HA ASP A 37 4.646 2.039 10.646 1.00 0.00 H new ATOM 0 HB2 ASP A 37 7.112 1.891 11.363 1.00 0.00 H new ATOM 0 HB3 ASP A 37 7.054 3.610 11.699 1.00 0.00 H new ATOM 530 N LEU A 38 4.172 4.854 9.806 1.00 0.00 N ATOM 531 CA LEU A 38 3.441 6.118 9.946 1.00 0.00 C ATOM 532 C LEU A 38 2.313 6.206 8.919 1.00 0.00 C ATOM 533 O LEU A 38 2.402 5.626 7.837 1.00 0.00 O ATOM 534 CB LEU A 38 4.401 7.315 9.747 1.00 0.00 C ATOM 535 CG LEU A 38 5.209 7.608 11.044 1.00 0.00 C ATOM 536 CD1 LEU A 38 6.714 7.565 10.742 1.00 0.00 C ATOM 537 CD2 LEU A 38 4.851 9.005 11.574 1.00 0.00 C ATOM 0 H LEU A 38 4.324 4.558 8.842 1.00 0.00 H new ATOM 0 HA LEU A 38 3.015 6.152 10.949 1.00 0.00 H new ATOM 0 HB2 LEU A 38 5.088 7.102 8.928 1.00 0.00 H new ATOM 0 HB3 LEU A 38 3.830 8.199 9.463 1.00 0.00 H new ATOM 0 HG LEU A 38 4.961 6.853 11.790 1.00 0.00 H new ATOM 0 HD11 LEU A 38 7.274 7.771 11.654 1.00 0.00 H new ATOM 0 HD12 LEU A 38 6.982 6.577 10.367 1.00 0.00 H new ATOM 0 HD13 LEU A 38 6.956 8.316 9.990 1.00 0.00 H new ATOM 0 HD21 LEU A 38 5.419 9.206 12.482 1.00 0.00 H new ATOM 0 HD22 LEU A 38 5.095 9.754 10.820 1.00 0.00 H new ATOM 0 HD23 LEU A 38 3.785 9.048 11.796 1.00 0.00 H new ATOM 549 N PRO A 39 1.267 6.931 9.229 1.00 0.00 N ATOM 550 CA PRO A 39 0.116 7.106 8.302 1.00 0.00 C ATOM 551 C PRO A 39 0.486 7.945 7.077 1.00 0.00 C ATOM 552 O PRO A 39 1.608 8.434 6.956 1.00 0.00 O ATOM 553 CB PRO A 39 -0.943 7.806 9.162 1.00 0.00 C ATOM 554 CG PRO A 39 -0.167 8.521 10.216 1.00 0.00 C ATOM 555 CD PRO A 39 1.057 7.655 10.496 1.00 0.00 C ATOM 0 HA PRO A 39 -0.231 6.157 7.892 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -1.538 8.501 8.569 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -1.635 7.087 9.600 1.00 0.00 H new ATOM 0 HG2 PRO A 39 0.127 9.515 9.878 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -0.765 8.655 11.118 1.00 0.00 H new ATOM 0 HD2 PRO A 39 1.924 8.260 10.760 1.00 0.00 H new ATOM 0 HD3 PRO A 39 0.882 6.969 11.325 1.00 0.00 H new ATOM 563 N LEU A 40 -0.481 8.100 6.185 1.00 0.00 N ATOM 564 CA LEU A 40 -0.290 8.879 4.971 1.00 0.00 C ATOM 565 C LEU A 40 -0.282 10.361 5.296 1.00 0.00 C ATOM 566 O LEU A 40 0.192 11.179 4.510 1.00 0.00 O ATOM 567 CB LEU A 40 -1.403 8.577 3.948 1.00 0.00 C ATOM 568 CG LEU A 40 -2.704 8.197 4.665 1.00 0.00 C ATOM 569 CD1 LEU A 40 -3.170 9.331 5.590 1.00 0.00 C ATOM 570 CD2 LEU A 40 -3.775 7.903 3.608 1.00 0.00 C ATOM 0 H LEU A 40 -1.412 7.694 6.280 1.00 0.00 H new ATOM 0 HA LEU A 40 0.670 8.601 4.535 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -1.571 9.449 3.316 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -1.091 7.764 3.292 1.00 0.00 H new ATOM 0 HG LEU A 40 -2.533 7.314 5.281 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -4.095 9.038 6.087 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -2.402 9.529 6.338 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -3.344 10.232 5.002 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -4.708 7.631 4.101 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -3.934 8.790 2.995 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -3.445 7.079 2.975 1.00 0.00 H new ATOM 582 N THR A 41 -0.846 10.703 6.440 1.00 0.00 N ATOM 583 CA THR A 41 -0.932 12.094 6.826 1.00 0.00 C ATOM 584 C THR A 41 0.431 12.763 6.740 1.00 0.00 C ATOM 585 O THR A 41 0.531 13.944 6.421 1.00 0.00 O ATOM 586 CB THR A 41 -1.470 12.229 8.250 1.00 0.00 C ATOM 587 OG1 THR A 41 -0.573 11.598 9.149 1.00 0.00 O ATOM 588 CG2 THR A 41 -2.848 11.574 8.354 1.00 0.00 C ATOM 0 H THR A 41 -1.246 10.044 7.108 1.00 0.00 H new ATOM 0 HA THR A 41 -1.617 12.586 6.136 1.00 0.00 H new ATOM 0 HB THR A 41 -1.562 13.285 8.502 1.00 0.00 H new ATOM 0 HG1 THR A 41 -0.913 11.683 10.064 1.00 0.00 H new ATOM 0 HG21 THR A 41 -3.223 11.675 9.372 1.00 0.00 H new ATOM 0 HG22 THR A 41 -3.536 12.062 7.664 1.00 0.00 H new ATOM 0 HG23 THR A 41 -2.769 10.517 8.100 1.00 0.00 H new ATOM 596 N SER A 42 1.481 12.011 7.041 1.00 0.00 N ATOM 597 CA SER A 42 2.832 12.550 7.008 1.00 0.00 C ATOM 598 C SER A 42 3.077 13.322 5.709 1.00 0.00 C ATOM 599 O SER A 42 3.831 14.296 5.691 1.00 0.00 O ATOM 600 CB SER A 42 3.839 11.395 7.121 1.00 0.00 C ATOM 601 OG SER A 42 5.132 11.863 6.761 1.00 0.00 O ATOM 0 H SER A 42 1.423 11.029 7.310 1.00 0.00 H new ATOM 0 HA SER A 42 2.958 13.237 7.845 1.00 0.00 H new ATOM 0 HB2 SER A 42 3.851 11.006 8.139 1.00 0.00 H new ATOM 0 HB3 SER A 42 3.542 10.573 6.469 1.00 0.00 H new ATOM 0 HG SER A 42 5.777 11.129 6.833 1.00 0.00 H new ATOM 607 N TYR A 43 2.433 12.883 4.629 1.00 0.00 N ATOM 608 CA TYR A 43 2.588 13.537 3.329 1.00 0.00 C ATOM 609 C TYR A 43 1.757 14.817 3.266 1.00 0.00 C ATOM 610 O TYR A 43 1.948 15.649 2.379 1.00 0.00 O ATOM 611 CB TYR A 43 2.148 12.576 2.215 1.00 0.00 C ATOM 612 CG TYR A 43 2.580 11.162 2.542 1.00 0.00 C ATOM 613 CD1 TYR A 43 3.816 10.916 3.165 1.00 0.00 C ATOM 614 CD2 TYR A 43 1.741 10.089 2.211 1.00 0.00 C ATOM 615 CE1 TYR A 43 4.200 9.603 3.454 1.00 0.00 C ATOM 616 CE2 TYR A 43 2.135 8.782 2.501 1.00 0.00 C ATOM 617 CZ TYR A 43 3.356 8.538 3.122 1.00 0.00 C ATOM 618 OH TYR A 43 3.720 7.245 3.407 1.00 0.00 O ATOM 0 H TYR A 43 1.802 12.082 4.627 1.00 0.00 H new ATOM 0 HA TYR A 43 3.637 13.800 3.193 1.00 0.00 H new ATOM 0 HB2 TYR A 43 1.065 12.615 2.098 1.00 0.00 H new ATOM 0 HB3 TYR A 43 2.583 12.886 1.265 1.00 0.00 H new ATOM 0 HD1 TYR A 43 4.467 11.739 3.420 1.00 0.00 H new ATOM 0 HD2 TYR A 43 0.791 10.274 1.732 1.00 0.00 H new ATOM 0 HE1 TYR A 43 5.148 9.411 3.934 1.00 0.00 H new ATOM 0 HE2 TYR A 43 1.489 7.956 2.242 1.00 0.00 H new ATOM 0 HH TYR A 43 3.098 6.626 2.970 1.00 0.00 H new ATOM 628 N GLY A 44 0.856 14.977 4.225 1.00 0.00 N ATOM 629 CA GLY A 44 0.022 16.173 4.282 1.00 0.00 C ATOM 630 C GLY A 44 -0.875 16.263 3.057 1.00 0.00 C ATOM 631 O GLY A 44 -1.275 17.354 2.648 1.00 0.00 O ATOM 0 H GLY A 44 0.683 14.301 4.969 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -0.588 16.154 5.185 1.00 0.00 H new ATOM 0 HA3 GLY A 44 0.653 17.060 4.343 1.00 0.00 H new ATOM 635 N LEU A 45 -1.180 15.114 2.472 1.00 0.00 N ATOM 636 CA LEU A 45 -2.020 15.061 1.287 1.00 0.00 C ATOM 637 C LEU A 45 -3.472 15.395 1.610 1.00 0.00 C ATOM 638 O LEU A 45 -4.006 14.965 2.630 1.00 0.00 O ATOM 639 CB LEU A 45 -1.927 13.659 0.662 1.00 0.00 C ATOM 640 CG LEU A 45 -2.746 12.628 1.466 1.00 0.00 C ATOM 641 CD1 LEU A 45 -2.617 11.243 0.812 1.00 0.00 C ATOM 642 CD2 LEU A 45 -2.205 12.548 2.895 1.00 0.00 C ATOM 0 H LEU A 45 -0.857 14.204 2.801 1.00 0.00 H new ATOM 0 HA LEU A 45 -1.662 15.809 0.579 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -2.290 13.692 -0.365 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -0.884 13.346 0.622 1.00 0.00 H new ATOM 0 HG LEU A 45 -3.792 12.936 1.480 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -3.196 10.516 1.382 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -2.994 11.287 -0.210 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -1.569 10.943 0.800 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -2.784 11.820 3.463 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -1.159 12.242 2.871 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -2.286 13.526 3.370 1.00 0.00 H new ATOM 654 N ASP A 46 -4.106 16.160 0.734 1.00 0.00 N ATOM 655 CA ASP A 46 -5.500 16.534 0.938 1.00 0.00 C ATOM 656 C ASP A 46 -6.387 15.294 0.895 1.00 0.00 C ATOM 657 O ASP A 46 -5.944 14.216 0.494 1.00 0.00 O ATOM 658 CB ASP A 46 -5.942 17.516 -0.143 1.00 0.00 C ATOM 659 CG ASP A 46 -5.196 18.835 0.022 1.00 0.00 C ATOM 660 OD1 ASP A 46 -4.737 19.098 1.121 1.00 0.00 O ATOM 661 OD2 ASP A 46 -5.097 19.563 -0.951 1.00 0.00 O ATOM 0 H ASP A 46 -3.684 16.531 -0.117 1.00 0.00 H new ATOM 0 HA ASP A 46 -5.595 17.009 1.915 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -5.745 17.097 -1.130 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -7.017 17.685 -0.077 1.00 0.00 H new ATOM 666 N SER A 47 -7.641 15.451 1.309 1.00 0.00 N ATOM 667 CA SER A 47 -8.588 14.338 1.317 1.00 0.00 C ATOM 668 C SER A 47 -8.882 13.868 -0.105 1.00 0.00 C ATOM 669 O SER A 47 -9.102 12.680 -0.345 1.00 0.00 O ATOM 670 CB SER A 47 -9.890 14.766 1.993 1.00 0.00 C ATOM 671 OG SER A 47 -10.786 13.664 2.027 1.00 0.00 O ATOM 0 H SER A 47 -8.025 16.335 1.643 1.00 0.00 H new ATOM 0 HA SER A 47 -8.142 13.513 1.873 1.00 0.00 H new ATOM 0 HB2 SER A 47 -9.689 15.117 3.005 1.00 0.00 H new ATOM 0 HB3 SER A 47 -10.339 15.598 1.450 1.00 0.00 H new ATOM 0 HG SER A 47 -11.622 13.935 2.461 1.00 0.00 H new ATOM 677 N VAL A 48 -8.879 14.809 -1.041 1.00 0.00 N ATOM 678 CA VAL A 48 -9.141 14.489 -2.439 1.00 0.00 C ATOM 679 C VAL A 48 -7.986 13.687 -3.032 1.00 0.00 C ATOM 680 O VAL A 48 -8.162 12.956 -4.003 1.00 0.00 O ATOM 681 CB VAL A 48 -9.337 15.772 -3.246 1.00 0.00 C ATOM 682 CG1 VAL A 48 -10.579 16.506 -2.740 1.00 0.00 C ATOM 683 CG2 VAL A 48 -8.111 16.676 -3.080 1.00 0.00 C ATOM 0 H VAL A 48 -8.699 15.796 -0.859 1.00 0.00 H new ATOM 0 HA VAL A 48 -10.050 13.889 -2.487 1.00 0.00 H new ATOM 0 HB VAL A 48 -9.463 15.521 -4.299 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -10.720 17.421 -3.315 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -11.453 15.866 -2.857 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -10.451 16.755 -1.687 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -8.252 17.590 -3.656 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -7.984 16.927 -2.027 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -7.223 16.155 -3.439 1.00 0.00 H new ATOM 693 N TYR A 49 -6.806 13.841 -2.448 1.00 0.00 N ATOM 694 CA TYR A 49 -5.632 13.129 -2.939 1.00 0.00 C ATOM 695 C TYR A 49 -5.813 11.618 -2.784 1.00 0.00 C ATOM 696 O TYR A 49 -5.610 10.858 -3.727 1.00 0.00 O ATOM 697 CB TYR A 49 -4.381 13.584 -2.159 1.00 0.00 C ATOM 698 CG TYR A 49 -3.188 13.681 -3.087 1.00 0.00 C ATOM 699 CD1 TYR A 49 -3.219 14.571 -4.168 1.00 0.00 C ATOM 700 CD2 TYR A 49 -2.056 12.885 -2.870 1.00 0.00 C ATOM 701 CE1 TYR A 49 -2.121 14.665 -5.029 1.00 0.00 C ATOM 702 CE2 TYR A 49 -0.960 12.978 -3.732 1.00 0.00 C ATOM 703 CZ TYR A 49 -0.992 13.868 -4.814 1.00 0.00 C ATOM 704 OH TYR A 49 0.084 13.954 -5.672 1.00 0.00 O ATOM 0 H TYR A 49 -6.636 14.444 -1.644 1.00 0.00 H new ATOM 0 HA TYR A 49 -5.506 13.358 -3.997 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -4.567 14.552 -1.693 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -4.169 12.879 -1.356 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -4.091 15.185 -4.337 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -2.030 12.199 -2.036 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -2.145 15.354 -5.861 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -0.088 12.364 -3.564 1.00 0.00 H new ATOM 0 HH TYR A 49 0.785 13.335 -5.380 1.00 0.00 H new ATOM 714 N ALA A 50 -6.195 11.196 -1.584 1.00 0.00 N ATOM 715 CA ALA A 50 -6.381 9.778 -1.311 1.00 0.00 C ATOM 716 C ALA A 50 -7.214 9.127 -2.402 1.00 0.00 C ATOM 717 O ALA A 50 -6.966 7.987 -2.782 1.00 0.00 O ATOM 718 CB ALA A 50 -7.078 9.594 0.037 1.00 0.00 C ATOM 0 H ALA A 50 -6.380 11.811 -0.791 1.00 0.00 H new ATOM 0 HA ALA A 50 -5.401 9.303 -1.284 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -7.214 8.531 0.234 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -6.468 10.034 0.825 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -8.051 10.086 0.014 1.00 0.00 H new ATOM 724 N LEU A 51 -8.197 9.854 -2.903 1.00 0.00 N ATOM 725 CA LEU A 51 -9.051 9.319 -3.950 1.00 0.00 C ATOM 726 C LEU A 51 -8.243 8.992 -5.199 1.00 0.00 C ATOM 727 O LEU A 51 -8.328 7.884 -5.734 1.00 0.00 O ATOM 728 CB LEU A 51 -10.145 10.341 -4.293 1.00 0.00 C ATOM 729 CG LEU A 51 -10.991 9.849 -5.493 1.00 0.00 C ATOM 730 CD1 LEU A 51 -12.471 10.156 -5.240 1.00 0.00 C ATOM 731 CD2 LEU A 51 -10.544 10.564 -6.780 1.00 0.00 C ATOM 0 H LEU A 51 -8.422 10.804 -2.607 1.00 0.00 H new ATOM 0 HA LEU A 51 -9.507 8.398 -3.587 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -10.788 10.498 -3.427 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -9.691 11.303 -4.531 1.00 0.00 H new ATOM 0 HG LEU A 51 -10.850 8.774 -5.606 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -13.064 9.809 -6.086 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -12.798 9.647 -4.334 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -12.604 11.231 -5.120 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -11.144 10.212 -7.619 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -10.678 11.640 -6.664 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -9.493 10.348 -6.970 1.00 0.00 H new ATOM 743 N SER A 52 -7.442 9.950 -5.648 1.00 0.00 N ATOM 744 CA SER A 52 -6.618 9.745 -6.831 1.00 0.00 C ATOM 745 C SER A 52 -5.529 8.713 -6.577 1.00 0.00 C ATOM 746 O SER A 52 -5.346 7.781 -7.363 1.00 0.00 O ATOM 747 CB SER A 52 -5.975 11.068 -7.240 1.00 0.00 C ATOM 748 OG SER A 52 -5.568 10.989 -8.599 1.00 0.00 O ATOM 0 H SER A 52 -7.346 10.869 -5.215 1.00 0.00 H new ATOM 0 HA SER A 52 -7.260 9.375 -7.631 1.00 0.00 H new ATOM 0 HB2 SER A 52 -6.682 11.886 -7.107 1.00 0.00 H new ATOM 0 HB3 SER A 52 -5.117 11.281 -6.603 1.00 0.00 H new ATOM 0 HG SER A 52 -5.156 11.837 -8.867 1.00 0.00 H new ATOM 754 N ILE A 53 -4.799 8.890 -5.485 1.00 0.00 N ATOM 755 CA ILE A 53 -3.723 7.971 -5.154 1.00 0.00 C ATOM 756 C ILE A 53 -4.270 6.573 -4.896 1.00 0.00 C ATOM 757 O ILE A 53 -3.877 5.614 -5.555 1.00 0.00 O ATOM 758 CB ILE A 53 -3.000 8.481 -3.905 1.00 0.00 C ATOM 759 CG1 ILE A 53 -2.550 9.933 -4.141 1.00 0.00 C ATOM 760 CG2 ILE A 53 -1.791 7.588 -3.575 1.00 0.00 C ATOM 761 CD1 ILE A 53 -1.634 10.038 -5.365 1.00 0.00 C ATOM 0 H ILE A 53 -4.931 9.653 -4.821 1.00 0.00 H new ATOM 0 HA ILE A 53 -3.029 7.918 -5.993 1.00 0.00 H new ATOM 0 HB ILE A 53 -3.682 8.447 -3.055 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -3.424 10.569 -4.282 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -2.026 10.302 -3.259 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -1.291 7.968 -2.684 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -2.131 6.568 -3.394 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -1.094 7.595 -4.413 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -1.333 11.076 -5.506 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -0.749 9.421 -5.211 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -2.168 9.692 -6.250 1.00 0.00 H new ATOM 773 N ALA A 54 -5.189 6.467 -3.945 1.00 0.00 N ATOM 774 CA ALA A 54 -5.769 5.172 -3.617 1.00 0.00 C ATOM 775 C ALA A 54 -6.275 4.483 -4.878 1.00 0.00 C ATOM 776 O ALA A 54 -6.134 3.270 -5.024 1.00 0.00 O ATOM 777 CB ALA A 54 -6.923 5.331 -2.622 1.00 0.00 C ATOM 0 H ALA A 54 -5.544 7.249 -3.395 1.00 0.00 H new ATOM 0 HA ALA A 54 -4.991 4.560 -3.160 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -7.342 4.352 -2.391 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -6.553 5.793 -1.707 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -7.696 5.962 -3.060 1.00 0.00 H new ATOM 783 N ALA A 55 -6.847 5.268 -5.789 1.00 0.00 N ATOM 784 CA ALA A 55 -7.359 4.716 -7.037 1.00 0.00 C ATOM 785 C ALA A 55 -6.230 4.113 -7.876 1.00 0.00 C ATOM 786 O ALA A 55 -6.333 2.983 -8.352 1.00 0.00 O ATOM 787 CB ALA A 55 -8.062 5.811 -7.841 1.00 0.00 C ATOM 0 H ALA A 55 -6.966 6.276 -5.687 1.00 0.00 H new ATOM 0 HA ALA A 55 -8.069 3.926 -6.792 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -8.442 5.391 -8.772 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -8.891 6.214 -7.259 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -7.354 6.609 -8.065 1.00 0.00 H new ATOM 793 N GLU A 56 -5.160 4.882 -8.053 1.00 0.00 N ATOM 794 CA GLU A 56 -4.019 4.426 -8.845 1.00 0.00 C ATOM 795 C GLU A 56 -3.416 3.146 -8.258 1.00 0.00 C ATOM 796 O GLU A 56 -3.127 2.190 -8.989 1.00 0.00 O ATOM 797 CB GLU A 56 -2.952 5.526 -8.883 1.00 0.00 C ATOM 798 CG GLU A 56 -3.443 6.703 -9.734 1.00 0.00 C ATOM 799 CD GLU A 56 -3.546 6.292 -11.198 1.00 0.00 C ATOM 800 OE1 GLU A 56 -2.566 5.787 -11.722 1.00 0.00 O ATOM 801 OE2 GLU A 56 -4.602 6.490 -11.778 1.00 0.00 O ATOM 0 H GLU A 56 -5.058 5.818 -7.662 1.00 0.00 H new ATOM 0 HA GLU A 56 -4.366 4.208 -9.855 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -2.731 5.865 -7.871 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -2.024 5.130 -9.296 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -4.416 7.039 -9.375 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -2.757 7.544 -9.633 1.00 0.00 H new ATOM 808 N LEU A 57 -3.240 3.127 -6.941 1.00 0.00 N ATOM 809 CA LEU A 57 -2.676 1.960 -6.272 1.00 0.00 C ATOM 810 C LEU A 57 -3.538 0.732 -6.522 1.00 0.00 C ATOM 811 O LEU A 57 -3.088 -0.225 -7.129 1.00 0.00 O ATOM 812 CB LEU A 57 -2.609 2.227 -4.750 1.00 0.00 C ATOM 813 CG LEU A 57 -1.328 3.004 -4.388 1.00 0.00 C ATOM 814 CD1 LEU A 57 -1.524 4.482 -4.689 1.00 0.00 C ATOM 815 CD2 LEU A 57 -1.034 2.843 -2.894 1.00 0.00 C ATOM 0 H LEU A 57 -3.478 3.900 -6.320 1.00 0.00 H new ATOM 0 HA LEU A 57 -1.677 1.778 -6.668 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -3.485 2.795 -4.437 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -2.632 1.281 -4.209 1.00 0.00 H new ATOM 0 HG LEU A 57 -0.498 2.612 -4.975 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -0.617 5.029 -4.432 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -1.738 4.612 -5.750 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -2.358 4.866 -4.101 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -0.128 3.393 -2.640 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -1.870 3.234 -2.314 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -0.894 1.787 -2.662 1.00 0.00 H new ATOM 827 N GLU A 58 -4.770 0.757 -6.051 1.00 0.00 N ATOM 828 CA GLU A 58 -5.634 -0.398 -6.232 1.00 0.00 C ATOM 829 C GLU A 58 -5.750 -0.773 -7.705 1.00 0.00 C ATOM 830 O GLU A 58 -5.818 -1.950 -8.053 1.00 0.00 O ATOM 831 CB GLU A 58 -7.017 -0.127 -5.641 1.00 0.00 C ATOM 832 CG GLU A 58 -7.750 0.931 -6.475 1.00 0.00 C ATOM 833 CD GLU A 58 -9.135 1.193 -5.922 1.00 0.00 C ATOM 834 OE1 GLU A 58 -9.759 0.247 -5.491 1.00 0.00 O ATOM 835 OE2 GLU A 58 -9.562 2.337 -5.959 1.00 0.00 O ATOM 0 H GLU A 58 -5.189 1.542 -5.552 1.00 0.00 H new ATOM 0 HA GLU A 58 -5.186 -1.240 -5.704 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -7.598 -1.049 -5.618 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -6.920 0.215 -4.610 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -7.175 1.857 -6.481 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -7.825 0.596 -7.510 1.00 0.00 H new ATOM 842 N ASP A 59 -5.784 0.239 -8.566 1.00 0.00 N ATOM 843 CA ASP A 59 -5.908 0.012 -10.000 1.00 0.00 C ATOM 844 C ASP A 59 -4.726 -0.803 -10.517 1.00 0.00 C ATOM 845 O ASP A 59 -4.861 -1.589 -11.456 1.00 0.00 O ATOM 846 CB ASP A 59 -5.975 1.356 -10.729 1.00 0.00 C ATOM 847 CG ASP A 59 -6.063 1.130 -12.232 1.00 0.00 C ATOM 848 OD1 ASP A 59 -6.874 0.318 -12.643 1.00 0.00 O ATOM 849 OD2 ASP A 59 -5.318 1.775 -12.952 1.00 0.00 O ATOM 0 H ASP A 59 -5.728 1.221 -8.296 1.00 0.00 H new ATOM 0 HA ASP A 59 -6.823 -0.549 -10.190 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -6.842 1.922 -10.387 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -5.093 1.951 -10.494 1.00 0.00 H new ATOM 854 N HIS A 60 -3.570 -0.612 -9.893 1.00 0.00 N ATOM 855 CA HIS A 60 -2.371 -1.341 -10.292 1.00 0.00 C ATOM 856 C HIS A 60 -2.459 -2.810 -9.901 1.00 0.00 C ATOM 857 O HIS A 60 -1.998 -3.684 -10.636 1.00 0.00 O ATOM 858 CB HIS A 60 -1.138 -0.730 -9.637 1.00 0.00 C ATOM 859 CG HIS A 60 -0.913 0.641 -10.207 1.00 0.00 C ATOM 860 ND1 HIS A 60 -1.059 0.906 -11.560 1.00 0.00 N ATOM 861 CD2 HIS A 60 -0.565 1.832 -9.626 1.00 0.00 C ATOM 862 CE1 HIS A 60 -0.805 2.212 -11.744 1.00 0.00 C ATOM 863 NE2 HIS A 60 -0.499 2.824 -10.598 1.00 0.00 N ATOM 0 H HIS A 60 -3.437 0.035 -9.116 1.00 0.00 H new ATOM 0 HA HIS A 60 -2.291 -1.269 -11.377 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -1.275 -0.671 -8.557 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -0.266 -1.360 -9.814 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -0.371 1.978 -8.574 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -0.844 2.707 -12.703 1.00 0.00 H new ATOM 0 HE2 HIS A 60 -0.267 3.808 -10.464 1.00 0.00 H new ATOM 872 N LEU A 61 -3.035 -3.077 -8.730 1.00 0.00 N ATOM 873 CA LEU A 61 -3.155 -4.447 -8.239 1.00 0.00 C ATOM 874 C LEU A 61 -4.526 -5.025 -8.569 1.00 0.00 C ATOM 875 O LEU A 61 -4.912 -6.058 -8.030 1.00 0.00 O ATOM 876 CB LEU A 61 -2.926 -4.488 -6.722 1.00 0.00 C ATOM 877 CG LEU A 61 -1.474 -4.104 -6.374 1.00 0.00 C ATOM 878 CD1 LEU A 61 -0.478 -5.053 -7.036 1.00 0.00 C ATOM 879 CD2 LEU A 61 -1.178 -2.687 -6.847 1.00 0.00 C ATOM 0 H LEU A 61 -3.423 -2.368 -8.108 1.00 0.00 H new ATOM 0 HA LEU A 61 -2.395 -5.052 -8.734 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -3.616 -3.804 -6.228 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -3.143 -5.487 -6.344 1.00 0.00 H new ATOM 0 HG LEU A 61 -1.368 -4.171 -5.291 1.00 0.00 H new ATOM 0 HD11 LEU A 61 0.537 -4.757 -6.772 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -0.660 -6.071 -6.691 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -0.599 -5.010 -8.118 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -0.150 -2.427 -6.596 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -1.314 -2.628 -7.927 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -1.858 -1.990 -6.357 1.00 0.00 H new ATOM 891 N ASP A 62 -5.250 -4.378 -9.482 1.00 0.00 N ATOM 892 CA ASP A 62 -6.562 -4.874 -9.889 1.00 0.00 C ATOM 893 C ASP A 62 -7.390 -5.294 -8.690 1.00 0.00 C ATOM 894 O ASP A 62 -7.785 -6.455 -8.576 1.00 0.00 O ATOM 895 CB ASP A 62 -6.376 -6.080 -10.791 1.00 0.00 C ATOM 896 CG ASP A 62 -5.844 -5.640 -12.152 1.00 0.00 C ATOM 897 OD1 ASP A 62 -5.885 -4.452 -12.426 1.00 0.00 O ATOM 898 OD2 ASP A 62 -5.406 -6.499 -12.898 1.00 0.00 O ATOM 0 H ASP A 62 -4.954 -3.520 -9.948 1.00 0.00 H new ATOM 0 HA ASP A 62 -7.083 -4.071 -10.410 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -5.683 -6.784 -10.331 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -7.325 -6.602 -10.914 1.00 0.00 H new ATOM 903 N VAL A 63 -7.646 -4.358 -7.799 1.00 0.00 N ATOM 904 CA VAL A 63 -8.418 -4.648 -6.602 1.00 0.00 C ATOM 905 C VAL A 63 -9.276 -3.453 -6.226 1.00 0.00 C ATOM 906 O VAL A 63 -8.970 -2.331 -6.598 1.00 0.00 O ATOM 907 CB VAL A 63 -7.451 -4.964 -5.443 1.00 0.00 C ATOM 908 CG1 VAL A 63 -6.956 -6.399 -5.559 1.00 0.00 C ATOM 909 CG2 VAL A 63 -6.231 -4.039 -5.507 1.00 0.00 C ATOM 0 H VAL A 63 -7.333 -3.391 -7.878 1.00 0.00 H new ATOM 0 HA VAL A 63 -9.067 -5.503 -6.794 1.00 0.00 H new ATOM 0 HB VAL A 63 -7.985 -4.819 -4.504 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -6.273 -6.616 -4.737 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -7.805 -7.081 -5.515 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -6.435 -6.529 -6.508 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -5.555 -4.271 -4.684 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -5.713 -4.185 -6.455 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -6.556 -3.002 -5.428 1.00 0.00 H new ATOM 919 N SER A 64 -10.370 -3.699 -5.513 1.00 0.00 N ATOM 920 CA SER A 64 -11.262 -2.622 -5.096 1.00 0.00 C ATOM 921 C SER A 64 -11.184 -2.466 -3.579 1.00 0.00 C ATOM 922 O SER A 64 -11.323 -3.440 -2.837 1.00 0.00 O ATOM 923 CB SER A 64 -12.697 -2.936 -5.514 1.00 0.00 C ATOM 924 OG SER A 64 -13.164 -4.054 -4.774 1.00 0.00 O ATOM 0 H SER A 64 -10.660 -4.630 -5.213 1.00 0.00 H new ATOM 0 HA SER A 64 -10.956 -1.692 -5.576 1.00 0.00 H new ATOM 0 HB2 SER A 64 -13.338 -2.073 -5.335 1.00 0.00 H new ATOM 0 HB3 SER A 64 -12.739 -3.148 -6.582 1.00 0.00 H new ATOM 0 HG SER A 64 -12.617 -4.165 -3.968 1.00 0.00 H new ATOM 930 N LEU A 65 -10.948 -1.238 -3.129 1.00 0.00 N ATOM 931 CA LEU A 65 -10.841 -0.941 -1.698 1.00 0.00 C ATOM 932 C LEU A 65 -12.001 -0.039 -1.280 1.00 0.00 C ATOM 933 O LEU A 65 -12.708 0.511 -2.124 1.00 0.00 O ATOM 934 CB LEU A 65 -9.491 -0.261 -1.380 1.00 0.00 C ATOM 935 CG LEU A 65 -8.924 0.441 -2.623 1.00 0.00 C ATOM 936 CD1 LEU A 65 -9.859 1.581 -3.050 1.00 0.00 C ATOM 937 CD2 LEU A 65 -7.542 1.018 -2.283 1.00 0.00 C ATOM 0 H LEU A 65 -10.826 -0.426 -3.735 1.00 0.00 H new ATOM 0 HA LEU A 65 -10.888 -1.875 -1.138 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -9.625 0.464 -0.577 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -8.780 -1.005 -1.022 1.00 0.00 H new ATOM 0 HG LEU A 65 -8.839 -0.276 -3.439 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -9.451 2.075 -3.932 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -10.844 1.176 -3.284 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -9.947 2.303 -2.238 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -7.131 1.519 -3.160 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -7.638 1.735 -1.467 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -6.875 0.211 -1.980 1.00 0.00 H new ATOM 949 N ASP A 66 -12.200 0.096 0.030 1.00 0.00 N ATOM 950 CA ASP A 66 -13.288 0.923 0.553 1.00 0.00 C ATOM 951 C ASP A 66 -12.777 2.313 0.949 1.00 0.00 C ATOM 952 O ASP A 66 -11.590 2.497 1.194 1.00 0.00 O ATOM 953 CB ASP A 66 -13.916 0.218 1.775 1.00 0.00 C ATOM 954 CG ASP A 66 -15.266 -0.412 1.408 1.00 0.00 C ATOM 955 OD1 ASP A 66 -15.270 -1.350 0.629 1.00 0.00 O ATOM 956 OD2 ASP A 66 -16.271 0.060 1.911 1.00 0.00 O ATOM 0 H ASP A 66 -11.627 -0.353 0.745 1.00 0.00 H new ATOM 0 HA ASP A 66 -14.041 1.052 -0.225 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -13.239 -0.552 2.144 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -14.053 0.936 2.584 1.00 0.00 H new ATOM 961 N PRO A 67 -13.657 3.281 1.022 1.00 0.00 N ATOM 962 CA PRO A 67 -13.285 4.676 1.411 1.00 0.00 C ATOM 963 C PRO A 67 -12.925 4.784 2.896 1.00 0.00 C ATOM 964 O PRO A 67 -11.780 5.066 3.248 1.00 0.00 O ATOM 965 CB PRO A 67 -14.548 5.488 1.084 1.00 0.00 C ATOM 966 CG PRO A 67 -15.676 4.507 1.159 1.00 0.00 C ATOM 967 CD PRO A 67 -15.097 3.157 0.737 1.00 0.00 C ATOM 0 HA PRO A 67 -12.399 5.030 0.884 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -14.687 6.303 1.794 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -14.482 5.937 0.093 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -16.082 4.458 2.169 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -16.493 4.803 0.501 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -15.546 2.337 1.298 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -15.279 2.957 -0.319 1.00 0.00 H new ATOM 975 N THR A 68 -13.915 4.570 3.757 1.00 0.00 N ATOM 976 CA THR A 68 -13.700 4.658 5.196 1.00 0.00 C ATOM 977 C THR A 68 -12.681 3.619 5.646 1.00 0.00 C ATOM 978 O THR A 68 -12.061 3.753 6.700 1.00 0.00 O ATOM 979 CB THR A 68 -15.025 4.431 5.934 1.00 0.00 C ATOM 980 OG1 THR A 68 -15.609 3.212 5.494 1.00 0.00 O ATOM 981 CG2 THR A 68 -15.980 5.590 5.638 1.00 0.00 C ATOM 0 H THR A 68 -14.870 4.336 3.484 1.00 0.00 H new ATOM 0 HA THR A 68 -13.318 5.651 5.431 1.00 0.00 H new ATOM 0 HB THR A 68 -14.839 4.379 7.007 1.00 0.00 H new ATOM 0 HG1 THR A 68 -16.455 3.065 5.966 1.00 0.00 H new ATOM 0 HG21 THR A 68 -16.922 5.429 6.163 1.00 0.00 H new ATOM 0 HG22 THR A 68 -15.533 6.525 5.975 1.00 0.00 H new ATOM 0 HG23 THR A 68 -16.167 5.643 4.565 1.00 0.00 H new ATOM 989 N LEU A 69 -12.499 2.592 4.825 1.00 0.00 N ATOM 990 CA LEU A 69 -11.534 1.543 5.132 1.00 0.00 C ATOM 991 C LEU A 69 -10.107 2.076 5.035 1.00 0.00 C ATOM 992 O LEU A 69 -9.260 1.757 5.861 1.00 0.00 O ATOM 993 CB LEU A 69 -11.722 0.359 4.182 1.00 0.00 C ATOM 994 CG LEU A 69 -10.719 -0.754 4.527 1.00 0.00 C ATOM 995 CD1 LEU A 69 -11.239 -2.075 3.962 1.00 0.00 C ATOM 996 CD2 LEU A 69 -9.314 -0.440 3.950 1.00 0.00 C ATOM 0 H LEU A 69 -13.003 2.463 3.948 1.00 0.00 H new ATOM 0 HA LEU A 69 -11.705 1.207 6.154 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -12.741 -0.021 4.258 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -11.579 0.683 3.151 1.00 0.00 H new ATOM 0 HG LEU A 69 -10.622 -0.823 5.610 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -10.537 -2.874 4.200 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -12.210 -2.302 4.403 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -11.342 -1.992 2.880 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -8.626 -1.244 4.210 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -9.377 -0.353 2.865 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -8.950 0.498 4.369 1.00 0.00 H new ATOM 1008 N ILE A 70 -9.849 2.895 4.025 1.00 0.00 N ATOM 1009 CA ILE A 70 -8.513 3.454 3.837 1.00 0.00 C ATOM 1010 C ILE A 70 -8.103 4.236 5.079 1.00 0.00 C ATOM 1011 O ILE A 70 -6.966 4.134 5.541 1.00 0.00 O ATOM 1012 CB ILE A 70 -8.501 4.365 2.601 1.00 0.00 C ATOM 1013 CG1 ILE A 70 -8.655 3.509 1.331 1.00 0.00 C ATOM 1014 CG2 ILE A 70 -7.180 5.137 2.542 1.00 0.00 C ATOM 1015 CD1 ILE A 70 -9.214 4.363 0.187 1.00 0.00 C ATOM 0 H ILE A 70 -10.536 3.186 3.330 1.00 0.00 H new ATOM 0 HA ILE A 70 -7.800 2.645 3.682 1.00 0.00 H new ATOM 0 HB ILE A 70 -9.328 5.072 2.665 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -7.690 3.091 1.045 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -9.321 2.669 1.527 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -7.175 5.783 1.664 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -7.074 5.745 3.440 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -6.350 4.433 2.480 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -9.320 3.749 -0.707 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -10.188 4.760 0.472 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -8.532 5.188 -0.018 1.00 0.00 H new ATOM 1027 N TRP A 71 -9.036 4.998 5.628 1.00 0.00 N ATOM 1028 CA TRP A 71 -8.756 5.767 6.831 1.00 0.00 C ATOM 1029 C TRP A 71 -8.549 4.832 8.026 1.00 0.00 C ATOM 1030 O TRP A 71 -8.163 5.273 9.107 1.00 0.00 O ATOM 1031 CB TRP A 71 -9.909 6.730 7.120 1.00 0.00 C ATOM 1032 CG TRP A 71 -9.852 7.880 6.164 1.00 0.00 C ATOM 1033 CD1 TRP A 71 -10.777 8.154 5.216 1.00 0.00 C ATOM 1034 CD2 TRP A 71 -8.828 8.907 6.049 1.00 0.00 C ATOM 1035 NE1 TRP A 71 -10.388 9.291 4.531 1.00 0.00 N ATOM 1036 CE2 TRP A 71 -9.192 9.792 5.006 1.00 0.00 C ATOM 1037 CE3 TRP A 71 -7.633 9.157 6.744 1.00 0.00 C ATOM 1038 CZ2 TRP A 71 -8.395 10.884 4.665 1.00 0.00 C ATOM 1039 CZ3 TRP A 71 -6.826 10.253 6.401 1.00 0.00 C ATOM 1040 CH2 TRP A 71 -7.208 11.117 5.366 1.00 0.00 C ATOM 0 H TRP A 71 -9.984 5.100 5.265 1.00 0.00 H new ATOM 0 HA TRP A 71 -7.843 6.341 6.671 1.00 0.00 H new ATOM 0 HB2 TRP A 71 -10.863 6.211 7.024 1.00 0.00 H new ATOM 0 HB3 TRP A 71 -9.845 7.093 8.146 1.00 0.00 H new ATOM 0 HD1 TRP A 71 -11.672 7.580 5.025 1.00 0.00 H new ATOM 0 HE1 TRP A 71 -10.920 9.709 3.768 1.00 0.00 H new ATOM 0 HE3 TRP A 71 -7.333 8.501 7.548 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 -8.693 11.545 3.865 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 -5.906 10.431 6.938 1.00 0.00 H new ATOM 0 HH2 TRP A 71 -6.586 11.962 5.110 1.00 0.00 H new ATOM 1051 N ASP A 72 -8.810 3.537 7.823 1.00 0.00 N ATOM 1052 CA ASP A 72 -8.642 2.547 8.896 1.00 0.00 C ATOM 1053 C ASP A 72 -7.250 1.922 8.831 1.00 0.00 C ATOM 1054 O ASP A 72 -6.658 1.587 9.856 1.00 0.00 O ATOM 1055 CB ASP A 72 -9.697 1.446 8.770 1.00 0.00 C ATOM 1056 CG ASP A 72 -9.727 0.626 10.055 1.00 0.00 C ATOM 1057 OD1 ASP A 72 -8.876 0.853 10.899 1.00 0.00 O ATOM 1058 OD2 ASP A 72 -10.605 -0.212 10.180 1.00 0.00 O ATOM 0 H ASP A 72 -9.135 3.151 6.937 1.00 0.00 H new ATOM 0 HA ASP A 72 -8.762 3.056 9.852 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -10.677 1.885 8.583 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -9.468 0.803 7.920 1.00 0.00 H new ATOM 1063 N HIS A 73 -6.727 1.781 7.610 1.00 0.00 N ATOM 1064 CA HIS A 73 -5.394 1.203 7.396 1.00 0.00 C ATOM 1065 C HIS A 73 -4.484 2.187 6.648 1.00 0.00 C ATOM 1066 O HIS A 73 -3.888 1.840 5.633 1.00 0.00 O ATOM 1067 CB HIS A 73 -5.529 -0.088 6.586 1.00 0.00 C ATOM 1068 CG HIS A 73 -6.660 -0.911 7.135 1.00 0.00 C ATOM 1069 ND1 HIS A 73 -7.035 -0.857 8.468 1.00 0.00 N ATOM 1070 CD2 HIS A 73 -7.517 -1.803 6.541 1.00 0.00 C ATOM 1071 CE1 HIS A 73 -8.079 -1.691 8.630 1.00 0.00 C ATOM 1072 NE2 HIS A 73 -8.411 -2.294 7.485 1.00 0.00 N ATOM 0 H HIS A 73 -7.205 2.059 6.753 1.00 0.00 H new ATOM 0 HA HIS A 73 -4.945 0.990 8.366 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -5.712 0.146 5.537 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -4.599 -0.655 6.629 1.00 0.00 H new ATOM 0 HD1 HIS A 73 -6.599 -0.289 9.194 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -7.499 -2.081 5.498 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -8.586 -1.853 9.570 1.00 0.00 H new ATOM 1081 N PRO A 74 -4.367 3.395 7.132 1.00 0.00 N ATOM 1082 CA PRO A 74 -3.510 4.453 6.506 1.00 0.00 C ATOM 1083 C PRO A 74 -2.022 4.154 6.669 1.00 0.00 C ATOM 1084 O PRO A 74 -1.171 4.930 6.236 1.00 0.00 O ATOM 1085 CB PRO A 74 -3.898 5.724 7.277 1.00 0.00 C ATOM 1086 CG PRO A 74 -4.358 5.229 8.610 1.00 0.00 C ATOM 1087 CD PRO A 74 -5.044 3.892 8.337 1.00 0.00 C ATOM 0 HA PRO A 74 -3.668 4.531 5.430 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -3.050 6.402 7.377 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -4.687 6.274 6.764 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -3.518 5.106 9.294 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -5.046 5.935 9.074 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -4.928 3.204 9.174 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -6.114 4.017 8.173 1.00 0.00 H new ATOM 1095 N THR A 75 -1.721 3.018 7.288 1.00 0.00 N ATOM 1096 CA THR A 75 -0.331 2.607 7.508 1.00 0.00 C ATOM 1097 C THR A 75 0.014 1.387 6.663 1.00 0.00 C ATOM 1098 O THR A 75 -0.837 0.543 6.386 1.00 0.00 O ATOM 1099 CB THR A 75 -0.110 2.279 8.990 1.00 0.00 C ATOM 1100 OG1 THR A 75 -1.185 1.478 9.462 1.00 0.00 O ATOM 1101 CG2 THR A 75 -0.042 3.577 9.799 1.00 0.00 C ATOM 0 H THR A 75 -2.416 2.364 7.647 1.00 0.00 H new ATOM 0 HA THR A 75 0.318 3.432 7.214 1.00 0.00 H new ATOM 0 HB THR A 75 0.827 1.734 9.106 1.00 0.00 H new ATOM 0 HG1 THR A 75 -1.044 1.266 10.408 1.00 0.00 H new ATOM 0 HG21 THR A 75 0.115 3.342 10.852 1.00 0.00 H new ATOM 0 HG22 THR A 75 0.784 4.189 9.437 1.00 0.00 H new ATOM 0 HG23 THR A 75 -0.977 4.126 9.685 1.00 0.00 H new ATOM 1109 N ILE A 76 1.274 1.318 6.249 1.00 0.00 N ATOM 1110 CA ILE A 76 1.743 0.215 5.423 1.00 0.00 C ATOM 1111 C ILE A 76 1.560 -1.103 6.161 1.00 0.00 C ATOM 1112 O ILE A 76 1.143 -2.099 5.577 1.00 0.00 O ATOM 1113 CB ILE A 76 3.221 0.403 5.074 1.00 0.00 C ATOM 1114 CG1 ILE A 76 3.447 1.806 4.482 1.00 0.00 C ATOM 1115 CG2 ILE A 76 3.648 -0.672 4.065 1.00 0.00 C ATOM 1116 CD1 ILE A 76 2.476 2.072 3.329 1.00 0.00 C ATOM 0 H ILE A 76 1.987 2.012 6.472 1.00 0.00 H new ATOM 0 HA ILE A 76 1.159 0.199 4.503 1.00 0.00 H new ATOM 0 HB ILE A 76 3.822 0.305 5.978 1.00 0.00 H new ATOM 0 HG12 ILE A 76 3.312 2.559 5.258 1.00 0.00 H new ATOM 0 HG13 ILE A 76 4.474 1.895 4.127 1.00 0.00 H new ATOM 0 HG21 ILE A 76 4.701 -0.539 3.816 1.00 0.00 H new ATOM 0 HG22 ILE A 76 3.500 -1.660 4.501 1.00 0.00 H new ATOM 0 HG23 ILE A 76 3.047 -0.581 3.160 1.00 0.00 H new ATOM 0 HD11 ILE A 76 2.654 3.069 2.926 1.00 0.00 H new ATOM 0 HD12 ILE A 76 2.631 1.331 2.545 1.00 0.00 H new ATOM 0 HD13 ILE A 76 1.451 2.006 3.694 1.00 0.00 H new ATOM 1128 N ASP A 77 1.885 -1.107 7.444 1.00 0.00 N ATOM 1129 CA ASP A 77 1.755 -2.316 8.243 1.00 0.00 C ATOM 1130 C ASP A 77 0.326 -2.861 8.137 1.00 0.00 C ATOM 1131 O ASP A 77 0.123 -4.045 7.843 1.00 0.00 O ATOM 1132 CB ASP A 77 2.075 -1.973 9.706 1.00 0.00 C ATOM 1133 CG ASP A 77 3.582 -2.023 9.954 1.00 0.00 C ATOM 1134 OD1 ASP A 77 4.169 -3.065 9.716 1.00 0.00 O ATOM 1135 OD2 ASP A 77 4.124 -1.017 10.385 1.00 0.00 O ATOM 0 H ASP A 77 2.238 -0.295 7.951 1.00 0.00 H new ATOM 0 HA ASP A 77 2.446 -3.077 7.879 1.00 0.00 H new ATOM 0 HB2 ASP A 77 1.695 -0.979 9.944 1.00 0.00 H new ATOM 0 HB3 ASP A 77 1.569 -2.675 10.369 1.00 0.00 H new ATOM 1140 N ALA A 78 -0.660 -1.993 8.353 1.00 0.00 N ATOM 1141 CA ALA A 78 -2.057 -2.407 8.263 1.00 0.00 C ATOM 1142 C ALA A 78 -2.429 -2.725 6.820 1.00 0.00 C ATOM 1143 O ALA A 78 -3.072 -3.740 6.539 1.00 0.00 O ATOM 1144 CB ALA A 78 -2.969 -1.297 8.790 1.00 0.00 C ATOM 0 H ALA A 78 -0.520 -1.011 8.589 1.00 0.00 H new ATOM 0 HA ALA A 78 -2.188 -3.304 8.869 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -4.009 -1.616 8.718 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -2.724 -1.089 9.832 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -2.825 -0.395 8.196 1.00 0.00 H new ATOM 1150 N LEU A 79 -2.042 -1.840 5.909 1.00 0.00 N ATOM 1151 CA LEU A 79 -2.366 -2.027 4.501 1.00 0.00 C ATOM 1152 C LEU A 79 -1.753 -3.332 4.000 1.00 0.00 C ATOM 1153 O LEU A 79 -2.400 -4.098 3.286 1.00 0.00 O ATOM 1154 CB LEU A 79 -1.826 -0.837 3.691 1.00 0.00 C ATOM 1155 CG LEU A 79 -2.711 -0.562 2.455 1.00 0.00 C ATOM 1156 CD1 LEU A 79 -2.892 -1.834 1.617 1.00 0.00 C ATOM 1157 CD2 LEU A 79 -4.095 -0.026 2.897 1.00 0.00 C ATOM 0 H LEU A 79 -1.510 -0.995 6.117 1.00 0.00 H new ATOM 0 HA LEU A 79 -3.448 -2.080 4.377 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -1.790 0.051 4.322 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -0.804 -1.043 3.373 1.00 0.00 H new ATOM 0 HG LEU A 79 -2.212 0.189 1.842 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -3.519 -1.614 0.753 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -1.918 -2.188 1.278 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -3.368 -2.605 2.224 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -4.710 0.164 2.017 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -4.586 -0.765 3.530 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -3.965 0.901 3.456 1.00 0.00 H new ATOM 1169 N SER A 80 -0.505 -3.582 4.381 1.00 0.00 N ATOM 1170 CA SER A 80 0.175 -4.802 3.965 1.00 0.00 C ATOM 1171 C SER A 80 -0.596 -6.019 4.464 1.00 0.00 C ATOM 1172 O SER A 80 -0.810 -6.979 3.723 1.00 0.00 O ATOM 1173 CB SER A 80 1.594 -4.821 4.526 1.00 0.00 C ATOM 1174 OG SER A 80 2.327 -3.728 3.987 1.00 0.00 O ATOM 0 H SER A 80 0.051 -2.963 4.971 1.00 0.00 H new ATOM 0 HA SER A 80 0.222 -4.831 2.876 1.00 0.00 H new ATOM 0 HB2 SER A 80 1.568 -4.755 5.614 1.00 0.00 H new ATOM 0 HB3 SER A 80 2.084 -5.762 4.275 1.00 0.00 H new ATOM 0 HG SER A 80 1.845 -2.893 4.161 1.00 0.00 H new ATOM 1180 N THR A 81 -1.007 -5.970 5.727 1.00 0.00 N ATOM 1181 CA THR A 81 -1.750 -7.079 6.310 1.00 0.00 C ATOM 1182 C THR A 81 -2.985 -7.371 5.462 1.00 0.00 C ATOM 1183 O THR A 81 -3.305 -8.526 5.170 1.00 0.00 O ATOM 1184 CB THR A 81 -2.180 -6.734 7.735 1.00 0.00 C ATOM 1185 OG1 THR A 81 -1.024 -6.536 8.539 1.00 0.00 O ATOM 1186 CG2 THR A 81 -3.014 -7.878 8.311 1.00 0.00 C ATOM 0 H THR A 81 -0.841 -5.186 6.358 1.00 0.00 H new ATOM 0 HA THR A 81 -1.108 -7.959 6.336 1.00 0.00 H new ATOM 0 HB THR A 81 -2.779 -5.823 7.724 1.00 0.00 H new ATOM 0 HG1 THR A 81 -0.619 -5.670 8.323 1.00 0.00 H new ATOM 0 HG21 THR A 81 -3.319 -7.630 9.327 1.00 0.00 H new ATOM 0 HG22 THR A 81 -3.899 -8.030 7.693 1.00 0.00 H new ATOM 0 HG23 THR A 81 -2.419 -8.791 8.324 1.00 0.00 H new ATOM 1194 N ALA A 82 -3.670 -6.313 5.057 1.00 0.00 N ATOM 1195 CA ALA A 82 -4.855 -6.475 4.231 1.00 0.00 C ATOM 1196 C ALA A 82 -4.489 -7.069 2.870 1.00 0.00 C ATOM 1197 O ALA A 82 -5.236 -7.882 2.313 1.00 0.00 O ATOM 1198 CB ALA A 82 -5.539 -5.125 4.023 1.00 0.00 C ATOM 0 H ALA A 82 -3.431 -5.347 5.283 1.00 0.00 H new ATOM 0 HA ALA A 82 -5.535 -7.155 4.744 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -6.425 -5.258 3.403 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -5.830 -4.712 4.989 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -4.850 -4.440 3.529 1.00 0.00 H new ATOM 1204 N LEU A 83 -3.349 -6.654 2.319 1.00 0.00 N ATOM 1205 CA LEU A 83 -2.931 -7.145 1.013 1.00 0.00 C ATOM 1206 C LEU A 83 -2.715 -8.651 1.044 1.00 0.00 C ATOM 1207 O LEU A 83 -3.259 -9.380 0.232 1.00 0.00 O ATOM 1208 CB LEU A 83 -1.628 -6.451 0.610 1.00 0.00 C ATOM 1209 CG LEU A 83 -1.538 -6.333 -0.914 1.00 0.00 C ATOM 1210 CD1 LEU A 83 -1.782 -7.690 -1.578 1.00 0.00 C ATOM 1211 CD2 LEU A 83 -2.540 -5.300 -1.435 1.00 0.00 C ATOM 0 H LEU A 83 -2.708 -5.988 2.752 1.00 0.00 H new ATOM 0 HA LEU A 83 -3.714 -6.924 0.288 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -1.581 -5.460 1.062 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -0.776 -7.015 0.989 1.00 0.00 H new ATOM 0 HG LEU A 83 -0.532 -6.000 -1.169 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -1.713 -7.583 -2.661 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -1.032 -8.403 -1.236 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -2.775 -8.052 -1.311 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -2.460 -5.231 -2.520 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -3.551 -5.605 -1.164 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -2.323 -4.328 -0.993 1.00 0.00 H new ATOM 1223 N VAL A 84 -1.912 -9.113 1.988 1.00 0.00 N ATOM 1224 CA VAL A 84 -1.640 -10.536 2.087 1.00 0.00 C ATOM 1225 C VAL A 84 -2.926 -11.286 2.395 1.00 0.00 C ATOM 1226 O VAL A 84 -3.077 -12.451 2.027 1.00 0.00 O ATOM 1227 CB VAL A 84 -0.585 -10.799 3.160 1.00 0.00 C ATOM 1228 CG1 VAL A 84 -1.098 -10.305 4.512 1.00 0.00 C ATOM 1229 CG2 VAL A 84 -0.277 -12.302 3.235 1.00 0.00 C ATOM 0 H VAL A 84 -1.444 -8.534 2.686 1.00 0.00 H new ATOM 0 HA VAL A 84 -1.250 -10.894 1.134 1.00 0.00 H new ATOM 0 HB VAL A 84 0.330 -10.264 2.904 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -0.345 -10.493 5.278 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -1.300 -9.235 4.456 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -2.016 -10.834 4.768 1.00 0.00 H new ATOM 0 HG21 VAL A 84 0.476 -12.481 4.002 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -1.187 -12.848 3.485 1.00 0.00 H new ATOM 0 HG23 VAL A 84 0.099 -12.645 2.271 1.00 0.00 H new ATOM 1239 N ALA A 85 -3.860 -10.613 3.057 1.00 0.00 N ATOM 1240 CA ALA A 85 -5.129 -11.235 3.387 1.00 0.00 C ATOM 1241 C ALA A 85 -5.903 -11.583 2.121 1.00 0.00 C ATOM 1242 O ALA A 85 -6.501 -12.652 2.022 1.00 0.00 O ATOM 1243 CB ALA A 85 -5.957 -10.277 4.235 1.00 0.00 C ATOM 0 H ALA A 85 -3.761 -9.648 3.371 1.00 0.00 H new ATOM 0 HA ALA A 85 -4.933 -12.152 3.942 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -6.911 -10.743 4.484 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -5.417 -10.044 5.153 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -6.137 -9.359 3.676 1.00 0.00 H new ATOM 1249 N GLU A 86 -5.901 -10.668 1.158 1.00 0.00 N ATOM 1250 CA GLU A 86 -6.621 -10.898 -0.092 1.00 0.00 C ATOM 1251 C GLU A 86 -6.191 -12.222 -0.730 1.00 0.00 C ATOM 1252 O GLU A 86 -6.898 -12.776 -1.569 1.00 0.00 O ATOM 1253 CB GLU A 86 -6.356 -9.724 -1.067 1.00 0.00 C ATOM 1254 CG GLU A 86 -5.124 -10.006 -1.942 1.00 0.00 C ATOM 1255 CD GLU A 86 -5.492 -10.882 -3.138 1.00 0.00 C ATOM 1256 OE1 GLU A 86 -6.569 -10.693 -3.679 1.00 0.00 O ATOM 1257 OE2 GLU A 86 -4.692 -11.732 -3.488 1.00 0.00 O ATOM 0 H GLU A 86 -5.417 -9.772 1.215 1.00 0.00 H new ATOM 0 HA GLU A 86 -7.688 -10.955 0.123 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -7.229 -9.568 -1.701 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -6.203 -8.804 -0.502 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -4.699 -9.065 -2.292 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -4.356 -10.500 -1.347 1.00 0.00 H new ATOM 1264 N LEU A 87 -5.012 -12.700 -0.335 1.00 0.00 N ATOM 1265 CA LEU A 87 -4.464 -13.940 -0.881 1.00 0.00 C ATOM 1266 C LEU A 87 -4.892 -15.141 -0.048 1.00 0.00 C ATOM 1267 O LEU A 87 -4.817 -16.282 -0.501 1.00 0.00 O ATOM 1268 CB LEU A 87 -2.931 -13.857 -0.923 1.00 0.00 C ATOM 1269 CG LEU A 87 -2.351 -14.997 -1.773 1.00 0.00 C ATOM 1270 CD1 LEU A 87 -2.733 -14.809 -3.252 1.00 0.00 C ATOM 1271 CD2 LEU A 87 -0.822 -14.994 -1.622 1.00 0.00 C ATOM 0 H LEU A 87 -4.419 -12.248 0.360 1.00 0.00 H new ATOM 0 HA LEU A 87 -4.851 -14.069 -1.892 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -2.625 -12.896 -1.336 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -2.531 -13.911 0.089 1.00 0.00 H new ATOM 0 HG LEU A 87 -2.757 -15.950 -1.433 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -2.315 -15.624 -3.842 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -3.819 -14.809 -3.350 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -2.336 -13.860 -3.612 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -0.396 -15.799 -2.221 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -0.425 -14.038 -1.964 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -0.560 -15.143 -0.575 1.00 0.00 H new ATOM 1283 N ARG A 88 -5.356 -14.888 1.168 1.00 0.00 N ATOM 1284 CA ARG A 88 -5.796 -15.972 2.031 1.00 0.00 C ATOM 1285 C ARG A 88 -7.031 -16.653 1.456 1.00 0.00 C ATOM 1286 O ARG A 88 -6.930 -17.494 0.563 1.00 0.00 O ATOM 1287 CB ARG A 88 -6.102 -15.437 3.429 1.00 0.00 C ATOM 1288 CG ARG A 88 -4.795 -15.084 4.135 1.00 0.00 C ATOM 1289 CD ARG A 88 -5.106 -14.555 5.534 1.00 0.00 C ATOM 1290 NE ARG A 88 -3.873 -14.178 6.214 1.00 0.00 N ATOM 1291 CZ ARG A 88 -3.141 -15.080 6.859 1.00 0.00 C ATOM 1292 NH1 ARG A 88 -3.520 -16.329 6.887 1.00 0.00 N ATOM 1293 NH2 ARG A 88 -2.043 -14.718 7.464 1.00 0.00 N ATOM 0 H ARG A 88 -5.436 -13.956 1.574 1.00 0.00 H new ATOM 0 HA ARG A 88 -4.993 -16.707 2.095 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -6.741 -14.556 3.361 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -6.649 -16.184 4.005 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -4.154 -15.963 4.200 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -4.250 -14.334 3.562 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -5.771 -13.694 5.466 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -5.630 -15.317 6.111 1.00 0.00 H new ATOM 0 HE ARG A 88 -3.567 -13.205 6.194 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -4.378 -16.612 6.414 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -2.958 -17.021 7.382 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -1.746 -13.742 7.442 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -1.481 -15.411 7.959 1.00 0.00 H new ATOM 1307 N SER A 89 -8.198 -16.289 1.973 1.00 0.00 N ATOM 1308 CA SER A 89 -9.448 -16.877 1.506 1.00 0.00 C ATOM 1309 C SER A 89 -9.785 -16.388 0.101 1.00 0.00 C ATOM 1310 O SER A 89 -10.947 -16.134 -0.217 1.00 0.00 O ATOM 1311 CB SER A 89 -10.581 -16.512 2.463 1.00 0.00 C ATOM 1312 OG SER A 89 -10.314 -17.076 3.740 1.00 0.00 O ATOM 0 H SER A 89 -8.305 -15.594 2.711 1.00 0.00 H new ATOM 0 HA SER A 89 -9.329 -17.960 1.477 1.00 0.00 H new ATOM 0 HB2 SER A 89 -10.671 -15.429 2.542 1.00 0.00 H new ATOM 0 HB3 SER A 89 -11.531 -16.884 2.079 1.00 0.00 H new ATOM 0 HG SER A 89 -11.038 -16.843 4.358 1.00 0.00 H new ATOM 1318 N ALA A 90 -8.763 -16.265 -0.739 1.00 0.00 N ATOM 1319 CA ALA A 90 -8.963 -15.809 -2.108 1.00 0.00 C ATOM 1320 C ALA A 90 -9.852 -14.570 -2.132 1.00 0.00 C ATOM 1321 O ALA A 90 -11.049 -14.727 -2.317 1.00 0.00 O ATOM 1322 CB ALA A 90 -9.606 -16.919 -2.939 1.00 0.00 C ATOM 1323 OXT ALA A 90 -9.326 -13.483 -1.962 1.00 0.00 O ATOM 0 H ALA A 90 -7.794 -16.473 -0.497 1.00 0.00 H new ATOM 0 HA ALA A 90 -7.992 -15.555 -2.534 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -9.752 -16.570 -3.961 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -8.955 -17.793 -2.944 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -10.570 -17.186 -2.506 1.00 0.00 H new TER 1329 ALA A 90