USER MOD reduce.3.24.130724 H: found=0, std=0, add=660, rem=0, adj=22 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= -4.78! USER MOD Set 1.2: A 26 HIS : no HD1:sc= -6.51! C(o=-11!,f=-19!) USER MOD Set 2.1: A 7 SER OG : rot -129:sc= 0.374 USER MOD Set 2.2: A 8 THR OG1 : rot 180:sc= 0.029 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 HIS :FLIP no HE2:sc= -2.13! C(o=-2.7!,f=-2.1!) USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 4 SER OG : rot -23:sc= 0.263 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot -45:sc= 0.646 USER MOD Single : A 33 THR OG1 : rot 180:sc= -0.581 USER MOD Single : A 36 THR OG1 : rot 180:sc= -0.109 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0.0612 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 43 TYR OH : rot 180:sc= -2.16! 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 HE2:sc= 0.242 K(o=0.24,f=-0.83) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 HIS : no HD1:sc= -7.8! C(o=-7.8!,f=-14!) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot -60:sc= -0.507 USER MOD Single : A 81 THR OG1 : rot 80:sc= 1.08 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 12.362 -19.738 -17.216 1.00 0.00 N ATOM 2 CA GLY A 1 12.687 -19.936 -15.775 1.00 0.00 C ATOM 3 C GLY A 1 11.450 -19.651 -14.929 1.00 0.00 C ATOM 4 O GLY A 1 11.288 -18.553 -14.397 1.00 0.00 O ATOM 0 H1 GLY A 1 13.206 -19.932 -17.792 1.00 0.00 H new ATOM 0 H2 GLY A 1 11.597 -20.387 -17.492 1.00 0.00 H new ATOM 0 H3 GLY A 1 12.056 -18.756 -17.371 1.00 0.00 H new ATOM 0 HA2 GLY A 1 13.029 -20.957 -15.606 1.00 0.00 H new ATOM 0 HA3 GLY A 1 13.502 -19.274 -15.481 1.00 0.00 H new ATOM 10 N HIS A 2 10.580 -20.650 -14.809 1.00 0.00 N ATOM 11 CA HIS A 2 9.361 -20.498 -14.024 1.00 0.00 C ATOM 12 C HIS A 2 8.545 -19.310 -14.527 1.00 0.00 C ATOM 13 O HIS A 2 9.024 -18.519 -15.340 1.00 0.00 O ATOM 14 CB HIS A 2 9.709 -20.292 -12.550 1.00 0.00 C ATOM 15 CG HIS A 2 8.444 -20.225 -11.742 1.00 0.00 C ATOM 16 ND1 HIS A 2 7.781 -19.172 -11.165 1.00 0.00 N flip ATOM 17 CD2 HIS A 2 7.697 -21.354 -11.443 1.00 0.00 C flip ATOM 18 CE1 HIS A 2 6.641 -19.635 -10.515 1.00 0.00 C flip ATOM 19 NE2 HIS A 2 6.638 -20.957 -10.713 1.00 0.00 N flip ATOM 0 H HIS A 2 10.696 -21.566 -15.242 1.00 0.00 H new ATOM 0 HA HIS A 2 8.767 -21.406 -14.132 1.00 0.00 H new ATOM 0 HB2 HIS A 2 10.337 -21.110 -12.196 1.00 0.00 H new ATOM 0 HB3 HIS A 2 10.282 -19.373 -12.425 1.00 0.00 H new ATOM 0 HD1 HIS A 2 8.078 -18.197 -11.206 1.00 0.00 H new ATOM 0 HD2 HIS A 2 7.923 -22.367 -11.741 1.00 0.00 H new ATOM 0 HE1 HIS A 2 5.915 -19.052 -9.968 1.00 0.00 H new ATOM 28 N MET A 3 7.313 -19.193 -14.045 1.00 0.00 N ATOM 29 CA MET A 3 6.444 -18.098 -14.462 1.00 0.00 C ATOM 30 C MET A 3 7.003 -16.758 -13.992 1.00 0.00 C ATOM 31 O MET A 3 7.528 -15.980 -14.788 1.00 0.00 O ATOM 32 CB MET A 3 5.042 -18.298 -13.881 1.00 0.00 C ATOM 33 CG MET A 3 4.074 -17.287 -14.501 1.00 0.00 C ATOM 34 SD MET A 3 3.812 -17.693 -16.245 1.00 0.00 S ATOM 35 CE MET A 3 2.387 -18.781 -16.013 1.00 0.00 C ATOM 0 H MET A 3 6.896 -19.836 -13.372 1.00 0.00 H new ATOM 0 HA MET A 3 6.392 -18.094 -15.551 1.00 0.00 H new ATOM 0 HB2 MET A 3 4.698 -19.313 -14.079 1.00 0.00 H new ATOM 0 HB3 MET A 3 5.066 -18.175 -12.798 1.00 0.00 H new ATOM 0 HG2 MET A 3 3.124 -17.302 -13.967 1.00 0.00 H new ATOM 0 HG3 MET A 3 4.476 -16.278 -14.408 1.00 0.00 H new ATOM 0 HE1 MET A 3 2.053 -19.154 -16.981 1.00 0.00 H new ATOM 0 HE2 MET A 3 2.670 -19.621 -15.378 1.00 0.00 H new ATOM 0 HE3 MET A 3 1.578 -18.225 -15.539 1.00 0.00 H new ATOM 45 N SER A 4 6.880 -16.493 -12.694 1.00 0.00 N ATOM 46 CA SER A 4 7.372 -15.240 -12.130 1.00 0.00 C ATOM 47 C SER A 4 7.581 -15.375 -10.625 1.00 0.00 C ATOM 48 O SER A 4 7.162 -16.359 -10.015 1.00 0.00 O ATOM 49 CB SER A 4 6.379 -14.113 -12.413 1.00 0.00 C ATOM 50 OG SER A 4 6.109 -14.064 -13.808 1.00 0.00 O ATOM 0 H SER A 4 6.448 -17.123 -12.018 1.00 0.00 H new ATOM 0 HA SER A 4 8.328 -15.004 -12.597 1.00 0.00 H new ATOM 0 HB2 SER A 4 5.456 -14.278 -11.858 1.00 0.00 H new ATOM 0 HB3 SER A 4 6.787 -13.160 -12.076 1.00 0.00 H new ATOM 0 HG SER A 4 6.854 -14.468 -14.300 1.00 0.00 H new ATOM 56 N ASP A 5 8.229 -14.379 -10.031 1.00 0.00 N ATOM 57 CA ASP A 5 8.488 -14.396 -8.595 1.00 0.00 C ATOM 58 C ASP A 5 7.274 -13.896 -7.828 1.00 0.00 C ATOM 59 O ASP A 5 7.331 -13.711 -6.612 1.00 0.00 O ATOM 60 CB ASP A 5 9.694 -13.514 -8.269 1.00 0.00 C ATOM 61 CG ASP A 5 9.486 -12.115 -8.838 1.00 0.00 C ATOM 62 OD1 ASP A 5 8.634 -11.966 -9.697 1.00 0.00 O ATOM 63 OD2 ASP A 5 10.183 -11.212 -8.405 1.00 0.00 O ATOM 0 H ASP A 5 8.583 -13.555 -10.517 1.00 0.00 H new ATOM 0 HA ASP A 5 8.698 -15.423 -8.297 1.00 0.00 H new ATOM 0 HB2 ASP A 5 9.834 -13.459 -7.189 1.00 0.00 H new ATOM 0 HB3 ASP A 5 10.600 -13.954 -8.686 1.00 0.00 H new ATOM 68 N LEU A 6 6.170 -13.680 -8.541 1.00 0.00 N ATOM 69 CA LEU A 6 4.936 -13.206 -7.914 1.00 0.00 C ATOM 70 C LEU A 6 3.737 -14.008 -8.401 1.00 0.00 C ATOM 71 O LEU A 6 2.973 -14.544 -7.596 1.00 0.00 O ATOM 72 CB LEU A 6 4.732 -11.714 -8.223 1.00 0.00 C ATOM 73 CG LEU A 6 3.339 -11.239 -7.734 1.00 0.00 C ATOM 74 CD1 LEU A 6 3.470 -9.869 -7.060 1.00 0.00 C ATOM 75 CD2 LEU A 6 2.368 -11.126 -8.919 1.00 0.00 C ATOM 0 H LEU A 6 6.104 -13.825 -9.549 1.00 0.00 H new ATOM 0 HA LEU A 6 5.023 -13.342 -6.836 1.00 0.00 H new ATOM 0 HB2 LEU A 6 5.513 -11.127 -7.739 1.00 0.00 H new ATOM 0 HB3 LEU A 6 4.824 -11.544 -9.296 1.00 0.00 H new ATOM 0 HG LEU A 6 2.952 -11.967 -7.022 1.00 0.00 H new ATOM 0 HD11 LEU A 6 2.490 -9.537 -6.717 1.00 0.00 H new ATOM 0 HD12 LEU A 6 4.146 -9.946 -6.208 1.00 0.00 H new ATOM 0 HD13 LEU A 6 3.868 -9.148 -7.775 1.00 0.00 H new ATOM 0 HD21 LEU A 6 1.394 -10.792 -8.561 1.00 0.00 H new ATOM 0 HD22 LEU A 6 2.756 -10.407 -9.640 1.00 0.00 H new ATOM 0 HD23 LEU A 6 2.264 -12.100 -9.398 1.00 0.00 H new ATOM 87 N SER A 7 3.570 -14.076 -9.718 1.00 0.00 N ATOM 88 CA SER A 7 2.450 -14.802 -10.312 1.00 0.00 C ATOM 89 C SER A 7 1.184 -14.611 -9.485 1.00 0.00 C ATOM 90 O SER A 7 1.076 -13.656 -8.716 1.00 0.00 O ATOM 91 CB SER A 7 2.786 -16.286 -10.397 1.00 0.00 C ATOM 92 OG SER A 7 1.789 -16.948 -11.164 1.00 0.00 O ATOM 0 H SER A 7 4.195 -13.638 -10.395 1.00 0.00 H new ATOM 0 HA SER A 7 2.275 -14.408 -11.313 1.00 0.00 H new ATOM 0 HB2 SER A 7 3.765 -16.424 -10.855 1.00 0.00 H new ATOM 0 HB3 SER A 7 2.838 -16.717 -9.397 1.00 0.00 H new ATOM 0 HG SER A 7 1.459 -17.727 -10.669 1.00 0.00 H new ATOM 98 N THR A 8 0.236 -15.521 -9.639 1.00 0.00 N ATOM 99 CA THR A 8 -1.010 -15.436 -8.892 1.00 0.00 C ATOM 100 C THR A 8 -0.779 -15.816 -7.435 1.00 0.00 C ATOM 101 O THR A 8 -1.723 -16.107 -6.700 1.00 0.00 O ATOM 102 CB THR A 8 -2.044 -16.382 -9.501 1.00 0.00 C ATOM 103 OG1 THR A 8 -1.428 -17.632 -9.778 1.00 0.00 O ATOM 104 CG2 THR A 8 -2.597 -15.784 -10.796 1.00 0.00 C ATOM 0 H THR A 8 0.303 -16.321 -10.269 1.00 0.00 H new ATOM 0 HA THR A 8 -1.376 -14.411 -8.941 1.00 0.00 H new ATOM 0 HB THR A 8 -2.864 -16.525 -8.797 1.00 0.00 H new ATOM 0 HG1 THR A 8 -2.088 -18.243 -10.167 1.00 0.00 H new ATOM 0 HG21 THR A 8 -3.334 -16.463 -11.225 1.00 0.00 H new ATOM 0 HG22 THR A 8 -3.069 -14.825 -10.581 1.00 0.00 H new ATOM 0 HG23 THR A 8 -1.783 -15.637 -11.505 1.00 0.00 H new ATOM 112 N ALA A 9 0.483 -15.811 -7.027 1.00 0.00 N ATOM 113 CA ALA A 9 0.845 -16.156 -5.654 1.00 0.00 C ATOM 114 C ALA A 9 1.967 -15.255 -5.148 1.00 0.00 C ATOM 115 O ALA A 9 3.107 -15.691 -4.995 1.00 0.00 O ATOM 116 CB ALA A 9 1.294 -17.606 -5.591 1.00 0.00 C ATOM 0 H ALA A 9 1.274 -15.572 -7.625 1.00 0.00 H new ATOM 0 HA ALA A 9 -0.031 -16.013 -5.021 1.00 0.00 H new ATOM 0 HB1 ALA A 9 1.563 -17.859 -4.566 1.00 0.00 H new ATOM 0 HB2 ALA A 9 0.482 -18.253 -5.924 1.00 0.00 H new ATOM 0 HB3 ALA A 9 2.159 -17.747 -6.239 1.00 0.00 H new ATOM 122 N PRO A 10 1.654 -14.017 -4.876 1.00 0.00 N ATOM 123 CA PRO A 10 2.638 -13.023 -4.360 1.00 0.00 C ATOM 124 C PRO A 10 3.104 -13.367 -2.946 1.00 0.00 C ATOM 125 O PRO A 10 2.501 -14.201 -2.273 1.00 0.00 O ATOM 126 CB PRO A 10 1.864 -11.692 -4.372 1.00 0.00 C ATOM 127 CG PRO A 10 0.627 -11.933 -5.182 1.00 0.00 C ATOM 128 CD PRO A 10 0.321 -13.417 -5.032 1.00 0.00 C ATOM 0 HA PRO A 10 3.545 -12.994 -4.964 1.00 0.00 H new ATOM 0 HB2 PRO A 10 1.611 -11.380 -3.359 1.00 0.00 H new ATOM 0 HB3 PRO A 10 2.466 -10.896 -4.809 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -0.202 -11.324 -4.822 1.00 0.00 H new ATOM 0 HG3 PRO A 10 0.786 -11.669 -6.228 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -0.313 -13.613 -4.167 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -0.199 -13.812 -5.905 1.00 0.00 H new ATOM 136 N THR A 11 4.175 -12.710 -2.497 1.00 0.00 N ATOM 137 CA THR A 11 4.713 -12.937 -1.155 1.00 0.00 C ATOM 138 C THR A 11 4.658 -11.650 -0.340 1.00 0.00 C ATOM 139 O THR A 11 4.681 -10.550 -0.888 1.00 0.00 O ATOM 140 CB THR A 11 6.159 -13.419 -1.258 1.00 0.00 C ATOM 141 OG1 THR A 11 6.230 -14.507 -2.170 1.00 0.00 O ATOM 142 CG2 THR A 11 6.654 -13.869 0.116 1.00 0.00 C ATOM 0 H THR A 11 4.687 -12.017 -3.043 1.00 0.00 H new ATOM 0 HA THR A 11 4.111 -13.696 -0.656 1.00 0.00 H new ATOM 0 HB THR A 11 6.787 -12.603 -1.614 1.00 0.00 H new ATOM 0 HG1 THR A 11 7.157 -14.816 -2.239 1.00 0.00 H new ATOM 0 HG21 THR A 11 7.686 -14.212 0.037 1.00 0.00 H new ATOM 0 HG22 THR A 11 6.602 -13.033 0.813 1.00 0.00 H new ATOM 0 HG23 THR A 11 6.028 -14.684 0.479 1.00 0.00 H new ATOM 150 N LEU A 12 4.561 -11.801 0.970 1.00 0.00 N ATOM 151 CA LEU A 12 4.471 -10.652 1.863 1.00 0.00 C ATOM 152 C LEU A 12 5.564 -9.642 1.536 1.00 0.00 C ATOM 153 O LEU A 12 5.341 -8.432 1.598 1.00 0.00 O ATOM 154 CB LEU A 12 4.640 -11.113 3.318 1.00 0.00 C ATOM 155 CG LEU A 12 3.345 -11.769 3.808 1.00 0.00 C ATOM 156 CD1 LEU A 12 3.087 -13.056 3.011 1.00 0.00 C ATOM 157 CD2 LEU A 12 3.480 -12.103 5.295 1.00 0.00 C ATOM 0 H LEU A 12 4.542 -12.706 1.441 1.00 0.00 H new ATOM 0 HA LEU A 12 3.495 -10.185 1.731 1.00 0.00 H new ATOM 0 HB2 LEU A 12 5.467 -11.819 3.392 1.00 0.00 H new ATOM 0 HB3 LEU A 12 4.890 -10.262 3.952 1.00 0.00 H new ATOM 0 HG LEU A 12 2.510 -11.084 3.663 1.00 0.00 H new ATOM 0 HD11 LEU A 12 2.166 -13.522 3.360 1.00 0.00 H new ATOM 0 HD12 LEU A 12 2.993 -12.816 1.952 1.00 0.00 H new ATOM 0 HD13 LEU A 12 3.919 -13.746 3.154 1.00 0.00 H new ATOM 0 HD21 LEU A 12 2.561 -12.570 5.648 1.00 0.00 H new ATOM 0 HD22 LEU A 12 4.314 -12.789 5.439 1.00 0.00 H new ATOM 0 HD23 LEU A 12 3.661 -11.188 5.858 1.00 0.00 H new ATOM 169 N ASP A 13 6.743 -10.141 1.201 1.00 0.00 N ATOM 170 CA ASP A 13 7.854 -9.263 0.880 1.00 0.00 C ATOM 171 C ASP A 13 7.581 -8.475 -0.389 1.00 0.00 C ATOM 172 O ASP A 13 7.881 -7.288 -0.450 1.00 0.00 O ATOM 173 CB ASP A 13 9.142 -10.058 0.689 1.00 0.00 C ATOM 174 CG ASP A 13 9.244 -11.137 1.762 1.00 0.00 C ATOM 175 OD1 ASP A 13 8.672 -10.945 2.822 1.00 0.00 O ATOM 176 OD2 ASP A 13 9.887 -12.143 1.505 1.00 0.00 O ATOM 0 H ASP A 13 6.953 -11.138 1.145 1.00 0.00 H new ATOM 0 HA ASP A 13 7.968 -8.576 1.718 1.00 0.00 H new ATOM 0 HB2 ASP A 13 9.156 -10.514 -0.301 1.00 0.00 H new ATOM 0 HB3 ASP A 13 10.003 -9.392 0.746 1.00 0.00 H new ATOM 181 N SER A 14 7.009 -9.130 -1.399 1.00 0.00 N ATOM 182 CA SER A 14 6.715 -8.453 -2.653 1.00 0.00 C ATOM 183 C SER A 14 5.677 -7.360 -2.447 1.00 0.00 C ATOM 184 O SER A 14 5.749 -6.295 -3.066 1.00 0.00 O ATOM 185 CB SER A 14 6.237 -9.448 -3.688 1.00 0.00 C ATOM 186 OG SER A 14 5.082 -10.117 -3.200 1.00 0.00 O ATOM 0 H SER A 14 6.745 -10.115 -1.371 1.00 0.00 H new ATOM 0 HA SER A 14 7.632 -7.987 -3.014 1.00 0.00 H new ATOM 0 HB2 SER A 14 6.007 -8.936 -4.622 1.00 0.00 H new ATOM 0 HB3 SER A 14 7.024 -10.170 -3.906 1.00 0.00 H new ATOM 0 HG SER A 14 5.227 -10.382 -2.268 1.00 0.00 H new ATOM 192 N LEU A 15 4.700 -7.610 -1.592 1.00 0.00 N ATOM 193 CA LEU A 15 3.683 -6.605 -1.346 1.00 0.00 C ATOM 194 C LEU A 15 4.261 -5.500 -0.473 1.00 0.00 C ATOM 195 O LEU A 15 4.406 -4.363 -0.912 1.00 0.00 O ATOM 196 CB LEU A 15 2.473 -7.258 -0.666 1.00 0.00 C ATOM 197 CG LEU A 15 1.601 -7.970 -1.708 1.00 0.00 C ATOM 198 CD1 LEU A 15 2.447 -8.742 -2.716 1.00 0.00 C ATOM 199 CD2 LEU A 15 0.717 -8.971 -0.985 1.00 0.00 C ATOM 0 H LEU A 15 4.590 -8.478 -1.068 1.00 0.00 H new ATOM 0 HA LEU A 15 3.358 -6.168 -2.290 1.00 0.00 H new ATOM 0 HB2 LEU A 15 2.810 -7.972 0.086 1.00 0.00 H new ATOM 0 HB3 LEU A 15 1.886 -6.501 -0.146 1.00 0.00 H new ATOM 0 HG LEU A 15 1.020 -7.217 -2.240 1.00 0.00 H new ATOM 0 HD11 LEU A 15 1.795 -9.233 -3.438 1.00 0.00 H new ATOM 0 HD12 LEU A 15 3.111 -8.053 -3.237 1.00 0.00 H new ATOM 0 HD13 LEU A 15 3.040 -9.493 -2.194 1.00 0.00 H new ATOM 0 HD21 LEU A 15 0.088 -9.489 -1.708 1.00 0.00 H new ATOM 0 HD22 LEU A 15 1.341 -9.696 -0.461 1.00 0.00 H new ATOM 0 HD23 LEU A 15 0.087 -8.447 -0.266 1.00 0.00 H new ATOM 211 N ARG A 16 4.581 -5.833 0.760 1.00 0.00 N ATOM 212 CA ARG A 16 5.117 -4.839 1.683 1.00 0.00 C ATOM 213 C ARG A 16 6.041 -3.857 0.951 1.00 0.00 C ATOM 214 O ARG A 16 5.868 -2.631 1.056 1.00 0.00 O ATOM 215 CB ARG A 16 5.897 -5.551 2.784 1.00 0.00 C ATOM 216 CG ARG A 16 6.540 -4.521 3.746 1.00 0.00 C ATOM 217 CD ARG A 16 8.006 -4.243 3.368 1.00 0.00 C ATOM 218 NE ARG A 16 8.666 -3.554 4.470 1.00 0.00 N ATOM 219 CZ ARG A 16 8.583 -2.237 4.603 1.00 0.00 C ATOM 220 NH1 ARG A 16 7.878 -1.539 3.754 1.00 0.00 N ATOM 221 NH2 ARG A 16 9.197 -1.644 5.589 1.00 0.00 N ATOM 0 H ARG A 16 4.483 -6.771 1.149 1.00 0.00 H new ATOM 0 HA ARG A 16 4.289 -4.275 2.114 1.00 0.00 H new ATOM 0 HB2 ARG A 16 5.232 -6.211 3.340 1.00 0.00 H new ATOM 0 HB3 ARG A 16 6.672 -6.178 2.342 1.00 0.00 H new ATOM 0 HG2 ARG A 16 5.972 -3.591 3.719 1.00 0.00 H new ATOM 0 HG3 ARG A 16 6.490 -4.895 4.769 1.00 0.00 H new ATOM 0 HD2 ARG A 16 8.521 -5.179 3.149 1.00 0.00 H new ATOM 0 HD3 ARG A 16 8.051 -3.635 2.465 1.00 0.00 H new ATOM 0 HE ARG A 16 9.201 -4.094 5.150 1.00 0.00 H new ATOM 0 HH11 ARG A 16 7.392 -2.007 2.989 1.00 0.00 H new ATOM 0 HH12 ARG A 16 7.814 -0.526 3.856 1.00 0.00 H new ATOM 0 HH21 ARG A 16 9.740 -2.193 6.256 1.00 0.00 H new ATOM 0 HH22 ARG A 16 9.135 -0.631 5.693 1.00 0.00 H new ATOM 235 N VAL A 17 7.007 -4.394 0.198 1.00 0.00 N ATOM 236 CA VAL A 17 7.938 -3.556 -0.553 1.00 0.00 C ATOM 237 C VAL A 17 7.165 -2.718 -1.584 1.00 0.00 C ATOM 238 O VAL A 17 7.499 -1.557 -1.830 1.00 0.00 O ATOM 239 CB VAL A 17 8.974 -4.444 -1.263 1.00 0.00 C ATOM 240 CG1 VAL A 17 9.691 -5.364 -0.237 1.00 0.00 C ATOM 241 CG2 VAL A 17 8.246 -5.288 -2.291 1.00 0.00 C ATOM 0 H VAL A 17 7.161 -5.397 0.095 1.00 0.00 H new ATOM 0 HA VAL A 17 8.455 -2.884 0.132 1.00 0.00 H new ATOM 0 HB VAL A 17 9.727 -3.822 -1.746 1.00 0.00 H new ATOM 0 HG11 VAL A 17 10.421 -5.986 -0.754 1.00 0.00 H new ATOM 0 HG12 VAL A 17 10.199 -4.752 0.508 1.00 0.00 H new ATOM 0 HG13 VAL A 17 8.956 -6.000 0.256 1.00 0.00 H new ATOM 0 HG21 VAL A 17 8.961 -5.928 -2.809 1.00 0.00 H new ATOM 0 HG22 VAL A 17 7.501 -5.907 -1.792 1.00 0.00 H new ATOM 0 HG23 VAL A 17 7.752 -4.637 -3.013 1.00 0.00 H new ATOM 251 N TRP A 18 6.128 -3.310 -2.194 1.00 0.00 N ATOM 252 CA TRP A 18 5.331 -2.577 -3.186 1.00 0.00 C ATOM 253 C TRP A 18 4.708 -1.318 -2.567 1.00 0.00 C ATOM 254 O TRP A 18 4.804 -0.225 -3.120 1.00 0.00 O ATOM 255 CB TRP A 18 4.210 -3.503 -3.748 1.00 0.00 C ATOM 256 CG TRP A 18 2.838 -3.031 -3.312 1.00 0.00 C ATOM 257 CD1 TRP A 18 2.108 -3.514 -2.267 1.00 0.00 C ATOM 258 CD2 TRP A 18 2.027 -1.971 -3.886 1.00 0.00 C ATOM 259 NE1 TRP A 18 0.947 -2.808 -2.162 1.00 0.00 N ATOM 260 CE2 TRP A 18 0.842 -1.861 -3.126 1.00 0.00 C ATOM 261 CE3 TRP A 18 2.191 -1.096 -4.975 1.00 0.00 C ATOM 262 CZ2 TRP A 18 -0.126 -0.935 -3.415 1.00 0.00 C ATOM 263 CZ3 TRP A 18 1.199 -0.157 -5.273 1.00 0.00 C ATOM 264 CH2 TRP A 18 0.045 -0.083 -4.485 1.00 0.00 C ATOM 0 H TRP A 18 5.827 -4.270 -2.024 1.00 0.00 H new ATOM 0 HA TRP A 18 5.989 -2.268 -3.998 1.00 0.00 H new ATOM 0 HB2 TRP A 18 4.262 -3.521 -4.837 1.00 0.00 H new ATOM 0 HB3 TRP A 18 4.372 -4.524 -3.404 1.00 0.00 H new ATOM 0 HD1 TRP A 18 2.404 -4.329 -1.623 1.00 0.00 H new ATOM 0 HE1 TRP A 18 0.242 -2.973 -1.444 1.00 0.00 H new ATOM 0 HE3 TRP A 18 3.083 -1.150 -5.581 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -1.017 -0.873 -2.808 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 1.323 0.512 -6.112 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -0.717 0.647 -4.717 1.00 0.00 H new ATOM 275 N LEU A 19 4.050 -1.494 -1.427 1.00 0.00 N ATOM 276 CA LEU A 19 3.385 -0.385 -0.749 1.00 0.00 C ATOM 277 C LEU A 19 4.369 0.739 -0.467 1.00 0.00 C ATOM 278 O LEU A 19 4.168 1.873 -0.908 1.00 0.00 O ATOM 279 CB LEU A 19 2.765 -0.905 0.575 1.00 0.00 C ATOM 280 CG LEU A 19 1.220 -1.019 0.471 1.00 0.00 C ATOM 281 CD1 LEU A 19 0.744 -2.277 1.190 1.00 0.00 C ATOM 282 CD2 LEU A 19 0.566 0.224 1.096 1.00 0.00 C ATOM 0 H LEU A 19 3.962 -2.393 -0.952 1.00 0.00 H new ATOM 0 HA LEU A 19 2.599 0.012 -1.391 1.00 0.00 H new ATOM 0 HB2 LEU A 19 3.188 -1.880 0.818 1.00 0.00 H new ATOM 0 HB3 LEU A 19 3.028 -0.231 1.391 1.00 0.00 H new ATOM 0 HG LEU A 19 0.934 -1.082 -0.579 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -0.341 -2.351 1.114 1.00 0.00 H new ATOM 0 HD12 LEU A 19 1.201 -3.154 0.731 1.00 0.00 H new ATOM 0 HD13 LEU A 19 1.031 -2.226 2.240 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -0.518 0.141 1.021 1.00 0.00 H new ATOM 0 HD22 LEU A 19 0.853 0.298 2.145 1.00 0.00 H new ATOM 0 HD23 LEU A 19 0.899 1.116 0.565 1.00 0.00 H new ATOM 294 N VAL A 20 5.424 0.436 0.266 1.00 0.00 N ATOM 295 CA VAL A 20 6.398 1.464 0.583 1.00 0.00 C ATOM 296 C VAL A 20 7.020 2.021 -0.687 1.00 0.00 C ATOM 297 O VAL A 20 7.105 3.235 -0.864 1.00 0.00 O ATOM 298 CB VAL A 20 7.477 0.872 1.486 1.00 0.00 C ATOM 299 CG1 VAL A 20 8.090 -0.358 0.814 1.00 0.00 C ATOM 300 CG2 VAL A 20 8.561 1.917 1.732 1.00 0.00 C ATOM 0 H VAL A 20 5.626 -0.489 0.645 1.00 0.00 H new ATOM 0 HA VAL A 20 5.899 2.283 1.102 1.00 0.00 H new ATOM 0 HB VAL A 20 7.034 0.578 2.438 1.00 0.00 H new ATOM 0 HG11 VAL A 20 8.860 -0.780 1.460 1.00 0.00 H new ATOM 0 HG12 VAL A 20 7.313 -1.103 0.641 1.00 0.00 H new ATOM 0 HG13 VAL A 20 8.534 -0.069 -0.139 1.00 0.00 H new ATOM 0 HG21 VAL A 20 9.333 1.496 2.377 1.00 0.00 H new ATOM 0 HG22 VAL A 20 9.004 2.212 0.781 1.00 0.00 H new ATOM 0 HG23 VAL A 20 8.122 2.790 2.214 1.00 0.00 H new ATOM 310 N ASP A 21 7.466 1.132 -1.561 1.00 0.00 N ATOM 311 CA ASP A 21 8.093 1.563 -2.799 1.00 0.00 C ATOM 312 C ASP A 21 7.121 2.384 -3.634 1.00 0.00 C ATOM 313 O ASP A 21 7.517 3.332 -4.316 1.00 0.00 O ATOM 314 CB ASP A 21 8.556 0.344 -3.595 1.00 0.00 C ATOM 315 CG ASP A 21 9.188 0.784 -4.911 1.00 0.00 C ATOM 316 OD1 ASP A 21 9.809 1.834 -4.926 1.00 0.00 O ATOM 317 OD2 ASP A 21 9.042 0.061 -5.884 1.00 0.00 O ATOM 0 H ASP A 21 7.407 0.121 -1.438 1.00 0.00 H new ATOM 0 HA ASP A 21 8.954 2.186 -2.555 1.00 0.00 H new ATOM 0 HB2 ASP A 21 9.276 -0.229 -3.011 1.00 0.00 H new ATOM 0 HB3 ASP A 21 7.710 -0.314 -3.792 1.00 0.00 H new ATOM 322 N CYS A 22 5.849 2.019 -3.570 1.00 0.00 N ATOM 323 CA CYS A 22 4.831 2.733 -4.324 1.00 0.00 C ATOM 324 C CYS A 22 4.768 4.191 -3.886 1.00 0.00 C ATOM 325 O CYS A 22 4.788 5.098 -4.717 1.00 0.00 O ATOM 326 CB CYS A 22 3.469 2.080 -4.114 1.00 0.00 C ATOM 327 SG CYS A 22 2.202 3.049 -4.959 1.00 0.00 S ATOM 0 H CYS A 22 5.500 1.241 -3.010 1.00 0.00 H new ATOM 0 HA CYS A 22 5.094 2.691 -5.381 1.00 0.00 H new ATOM 0 HB2 CYS A 22 3.479 1.060 -4.499 1.00 0.00 H new ATOM 0 HB3 CYS A 22 3.244 2.017 -3.049 1.00 0.00 H new ATOM 0 HG CYS A 22 2.758 3.786 -5.874 1.00 0.00 H new ATOM 333 N VAL A 23 4.690 4.415 -2.578 1.00 0.00 N ATOM 334 CA VAL A 23 4.624 5.781 -2.069 1.00 0.00 C ATOM 335 C VAL A 23 5.908 6.533 -2.426 1.00 0.00 C ATOM 336 O VAL A 23 5.855 7.663 -2.910 1.00 0.00 O ATOM 337 CB VAL A 23 4.454 5.765 -0.549 1.00 0.00 C ATOM 338 CG1 VAL A 23 4.365 7.203 0.021 1.00 0.00 C ATOM 339 CG2 VAL A 23 3.191 4.991 -0.164 1.00 0.00 C ATOM 0 H VAL A 23 4.671 3.686 -1.865 1.00 0.00 H new ATOM 0 HA VAL A 23 3.770 6.284 -2.524 1.00 0.00 H new ATOM 0 HB VAL A 23 5.329 5.274 -0.124 1.00 0.00 H new ATOM 0 HG11 VAL A 23 4.244 7.159 1.103 1.00 0.00 H new ATOM 0 HG12 VAL A 23 5.278 7.747 -0.220 1.00 0.00 H new ATOM 0 HG13 VAL A 23 3.510 7.716 -0.418 1.00 0.00 H new ATOM 0 HG21 VAL A 23 3.083 4.988 0.921 1.00 0.00 H new ATOM 0 HG22 VAL A 23 2.320 5.468 -0.614 1.00 0.00 H new ATOM 0 HG23 VAL A 23 3.269 3.965 -0.524 1.00 0.00 H new ATOM 349 N ALA A 24 7.060 5.911 -2.171 1.00 0.00 N ATOM 350 CA ALA A 24 8.337 6.556 -2.457 1.00 0.00 C ATOM 351 C ALA A 24 8.342 7.101 -3.874 1.00 0.00 C ATOM 352 O ALA A 24 8.687 8.252 -4.100 1.00 0.00 O ATOM 353 CB ALA A 24 9.478 5.553 -2.287 1.00 0.00 C ATOM 0 H ALA A 24 7.133 4.975 -1.773 1.00 0.00 H new ATOM 0 HA ALA A 24 8.477 7.381 -1.758 1.00 0.00 H new ATOM 0 HB1 ALA A 24 10.428 6.042 -2.502 1.00 0.00 H new ATOM 0 HB2 ALA A 24 9.486 5.181 -1.263 1.00 0.00 H new ATOM 0 HB3 ALA A 24 9.335 4.719 -2.975 1.00 0.00 H new ATOM 359 N GLY A 25 7.965 6.261 -4.824 1.00 0.00 N ATOM 360 CA GLY A 25 7.936 6.683 -6.216 1.00 0.00 C ATOM 361 C GLY A 25 6.929 7.813 -6.418 1.00 0.00 C ATOM 362 O GLY A 25 7.200 8.774 -7.138 1.00 0.00 O ATOM 0 H GLY A 25 7.678 5.296 -4.661 1.00 0.00 H new ATOM 0 HA2 GLY A 25 8.928 7.015 -6.521 1.00 0.00 H new ATOM 0 HA3 GLY A 25 7.673 5.838 -6.852 1.00 0.00 H new ATOM 366 N HIS A 26 5.763 7.690 -5.788 1.00 0.00 N ATOM 367 CA HIS A 26 4.729 8.709 -5.921 1.00 0.00 C ATOM 368 C HIS A 26 5.234 10.078 -5.477 1.00 0.00 C ATOM 369 O HIS A 26 5.107 11.057 -6.214 1.00 0.00 O ATOM 370 CB HIS A 26 3.507 8.330 -5.073 1.00 0.00 C ATOM 371 CG HIS A 26 2.741 7.227 -5.744 1.00 0.00 C ATOM 372 ND1 HIS A 26 2.324 7.316 -7.061 1.00 0.00 N ATOM 373 CD2 HIS A 26 2.294 6.013 -5.290 1.00 0.00 C ATOM 374 CE1 HIS A 26 1.660 6.184 -7.353 1.00 0.00 C ATOM 375 NE2 HIS A 26 1.614 5.355 -6.308 1.00 0.00 N ATOM 0 H HIS A 26 5.514 6.904 -5.188 1.00 0.00 H new ATOM 0 HA HIS A 26 4.454 8.763 -6.974 1.00 0.00 H new ATOM 0 HB2 HIS A 26 3.827 8.011 -4.081 1.00 0.00 H new ATOM 0 HB3 HIS A 26 2.864 9.200 -4.936 1.00 0.00 H new ATOM 0 HD2 HIS A 26 2.447 5.627 -4.293 1.00 0.00 H new ATOM 0 HE1 HIS A 26 1.218 5.972 -8.315 1.00 0.00 H new ATOM 0 HE2 HIS A 26 1.174 4.436 -6.266 1.00 0.00 H new ATOM 384 N LEU A 27 5.804 10.157 -4.274 1.00 0.00 N ATOM 385 CA LEU A 27 6.310 11.434 -3.777 1.00 0.00 C ATOM 386 C LEU A 27 7.730 11.692 -4.282 1.00 0.00 C ATOM 387 O LEU A 27 8.114 12.833 -4.528 1.00 0.00 O ATOM 388 CB LEU A 27 6.297 11.414 -2.249 1.00 0.00 C ATOM 389 CG LEU A 27 4.894 11.031 -1.757 1.00 0.00 C ATOM 390 CD1 LEU A 27 4.888 10.966 -0.227 1.00 0.00 C ATOM 391 CD2 LEU A 27 3.866 12.074 -2.229 1.00 0.00 C ATOM 0 H LEU A 27 5.925 9.369 -3.638 1.00 0.00 H new ATOM 0 HA LEU A 27 5.670 12.236 -4.145 1.00 0.00 H new ATOM 0 HB2 LEU A 27 7.032 10.700 -1.877 1.00 0.00 H new ATOM 0 HB3 LEU A 27 6.577 12.393 -1.859 1.00 0.00 H new ATOM 0 HG LEU A 27 4.628 10.057 -2.167 1.00 0.00 H new ATOM 0 HD11 LEU A 27 3.892 10.694 0.122 1.00 0.00 H new ATOM 0 HD12 LEU A 27 5.607 10.218 0.108 1.00 0.00 H new ATOM 0 HD13 LEU A 27 5.162 11.940 0.180 1.00 0.00 H new ATOM 0 HD21 LEU A 27 2.874 11.793 -1.875 1.00 0.00 H new ATOM 0 HD22 LEU A 27 4.131 13.053 -1.829 1.00 0.00 H new ATOM 0 HD23 LEU A 27 3.864 12.116 -3.318 1.00 0.00 H new ATOM 403 N GLY A 28 8.506 10.619 -4.416 1.00 0.00 N ATOM 404 CA GLY A 28 9.896 10.705 -4.874 1.00 0.00 C ATOM 405 C GLY A 28 10.872 10.631 -3.696 1.00 0.00 C ATOM 406 O GLY A 28 12.087 10.636 -3.892 1.00 0.00 O ATOM 0 H GLY A 28 8.194 9.669 -4.212 1.00 0.00 H new ATOM 0 HA2 GLY A 28 10.103 9.894 -5.572 1.00 0.00 H new ATOM 0 HA3 GLY A 28 10.046 11.639 -5.416 1.00 0.00 H new ATOM 410 N LEU A 29 10.339 10.567 -2.479 1.00 0.00 N ATOM 411 CA LEU A 29 11.179 10.497 -1.284 1.00 0.00 C ATOM 412 C LEU A 29 11.841 9.125 -1.181 1.00 0.00 C ATOM 413 O LEU A 29 11.674 8.280 -2.060 1.00 0.00 O ATOM 414 CB LEU A 29 10.349 10.765 -0.029 1.00 0.00 C ATOM 415 CG LEU A 29 9.524 12.042 -0.217 1.00 0.00 C ATOM 416 CD1 LEU A 29 8.712 12.313 1.051 1.00 0.00 C ATOM 417 CD2 LEU A 29 10.451 13.231 -0.508 1.00 0.00 C ATOM 0 H LEU A 29 9.336 10.562 -2.293 1.00 0.00 H new ATOM 0 HA LEU A 29 11.952 11.261 -1.365 1.00 0.00 H new ATOM 0 HB2 LEU A 29 9.689 9.920 0.169 1.00 0.00 H new ATOM 0 HB3 LEU A 29 11.004 10.868 0.836 1.00 0.00 H new ATOM 0 HG LEU A 29 8.847 11.911 -1.061 1.00 0.00 H new ATOM 0 HD11 LEU A 29 8.124 13.221 0.919 1.00 0.00 H new ATOM 0 HD12 LEU A 29 8.044 11.473 1.242 1.00 0.00 H new ATOM 0 HD13 LEU A 29 9.388 12.438 1.896 1.00 0.00 H new ATOM 0 HD21 LEU A 29 9.854 14.134 -0.640 1.00 0.00 H new ATOM 0 HD22 LEU A 29 11.138 13.369 0.327 1.00 0.00 H new ATOM 0 HD23 LEU A 29 11.019 13.035 -1.417 1.00 0.00 H new ATOM 429 N ASP A 30 12.585 8.909 -0.102 1.00 0.00 N ATOM 430 CA ASP A 30 13.264 7.629 0.108 1.00 0.00 C ATOM 431 C ASP A 30 12.326 6.620 0.769 1.00 0.00 C ATOM 432 O ASP A 30 11.677 6.928 1.767 1.00 0.00 O ATOM 433 CB ASP A 30 14.495 7.834 0.990 1.00 0.00 C ATOM 434 CG ASP A 30 15.584 8.561 0.206 1.00 0.00 C ATOM 435 OD1 ASP A 30 15.450 8.660 -1.001 1.00 0.00 O ATOM 436 OD2 ASP A 30 16.532 9.009 0.828 1.00 0.00 O ATOM 0 H ASP A 30 12.735 9.596 0.637 1.00 0.00 H new ATOM 0 HA ASP A 30 13.569 7.239 -0.863 1.00 0.00 H new ATOM 0 HB2 ASP A 30 14.226 8.411 1.875 1.00 0.00 H new ATOM 0 HB3 ASP A 30 14.868 6.871 1.338 1.00 0.00 H new ATOM 441 N ALA A 31 12.269 5.413 0.208 1.00 0.00 N ATOM 442 CA ALA A 31 11.412 4.359 0.742 1.00 0.00 C ATOM 443 C ALA A 31 11.756 4.049 2.199 1.00 0.00 C ATOM 444 O ALA A 31 10.863 3.832 3.028 1.00 0.00 O ATOM 445 CB ALA A 31 11.557 3.087 -0.113 1.00 0.00 C ATOM 0 H ALA A 31 12.806 5.142 -0.616 1.00 0.00 H new ATOM 0 HA ALA A 31 10.380 4.708 0.706 1.00 0.00 H new ATOM 0 HB1 ALA A 31 10.915 2.303 0.289 1.00 0.00 H new ATOM 0 HB2 ALA A 31 11.264 3.304 -1.140 1.00 0.00 H new ATOM 0 HB3 ALA A 31 12.594 2.752 -0.094 1.00 0.00 H new ATOM 451 N ALA A 32 13.044 4.059 2.517 1.00 0.00 N ATOM 452 CA ALA A 32 13.487 3.781 3.870 1.00 0.00 C ATOM 453 C ALA A 32 12.905 4.775 4.863 1.00 0.00 C ATOM 454 O ALA A 32 12.805 4.478 6.052 1.00 0.00 O ATOM 455 CB ALA A 32 15.014 3.832 3.929 1.00 0.00 C ATOM 0 H ALA A 32 13.796 4.256 1.856 1.00 0.00 H new ATOM 0 HA ALA A 32 13.135 2.786 4.143 1.00 0.00 H new ATOM 0 HB1 ALA A 32 15.346 3.623 4.946 1.00 0.00 H new ATOM 0 HB2 ALA A 32 15.429 3.086 3.251 1.00 0.00 H new ATOM 0 HB3 ALA A 32 15.357 4.823 3.632 1.00 0.00 H new ATOM 461 N THR A 33 12.541 5.958 4.379 1.00 0.00 N ATOM 462 CA THR A 33 11.981 6.988 5.252 1.00 0.00 C ATOM 463 C THR A 33 10.641 7.478 4.725 1.00 0.00 C ATOM 464 O THR A 33 10.351 8.675 4.763 1.00 0.00 O ATOM 465 CB THR A 33 12.969 8.156 5.359 1.00 0.00 C ATOM 466 OG1 THR A 33 13.572 8.385 4.096 1.00 0.00 O ATOM 467 CG2 THR A 33 14.055 7.810 6.385 1.00 0.00 C ATOM 0 H THR A 33 12.622 6.227 3.398 1.00 0.00 H new ATOM 0 HA THR A 33 11.815 6.559 6.240 1.00 0.00 H new ATOM 0 HB THR A 33 12.437 9.053 5.676 1.00 0.00 H new ATOM 0 HG1 THR A 33 14.202 9.133 4.165 1.00 0.00 H new ATOM 0 HG21 THR A 33 14.759 8.639 6.463 1.00 0.00 H new ATOM 0 HG22 THR A 33 13.594 7.632 7.357 1.00 0.00 H new ATOM 0 HG23 THR A 33 14.585 6.913 6.065 1.00 0.00 H new ATOM 475 N ILE A 34 9.811 6.559 4.242 1.00 0.00 N ATOM 476 CA ILE A 34 8.503 6.963 3.736 1.00 0.00 C ATOM 477 C ILE A 34 7.541 7.212 4.884 1.00 0.00 C ATOM 478 O ILE A 34 7.223 8.359 5.200 1.00 0.00 O ATOM 479 CB ILE A 34 7.967 5.868 2.773 1.00 0.00 C ATOM 480 CG1 ILE A 34 8.389 6.213 1.345 1.00 0.00 C ATOM 481 CG2 ILE A 34 6.439 5.725 2.817 1.00 0.00 C ATOM 482 CD1 ILE A 34 7.609 7.421 0.794 1.00 0.00 C ATOM 0 H ILE A 34 10.010 5.560 4.190 1.00 0.00 H new ATOM 0 HA ILE A 34 8.597 7.898 3.184 1.00 0.00 H new ATOM 0 HB ILE A 34 8.392 4.918 3.097 1.00 0.00 H new ATOM 0 HG12 ILE A 34 9.457 6.430 1.324 1.00 0.00 H new ATOM 0 HG13 ILE A 34 8.226 5.350 0.699 1.00 0.00 H new ATOM 0 HG21 ILE A 34 6.126 4.945 2.123 1.00 0.00 H new ATOM 0 HG22 ILE A 34 6.127 5.458 3.827 1.00 0.00 H new ATOM 0 HG23 ILE A 34 5.977 6.670 2.533 1.00 0.00 H new ATOM 0 HD11 ILE A 34 7.939 7.634 -0.223 1.00 0.00 H new ATOM 0 HD12 ILE A 34 6.543 7.195 0.790 1.00 0.00 H new ATOM 0 HD13 ILE A 34 7.793 8.291 1.424 1.00 0.00 H new ATOM 494 N ALA A 35 7.064 6.135 5.486 1.00 0.00 N ATOM 495 CA ALA A 35 6.111 6.234 6.573 1.00 0.00 C ATOM 496 C ALA A 35 5.502 4.858 6.858 1.00 0.00 C ATOM 497 O ALA A 35 4.398 4.771 7.391 1.00 0.00 O ATOM 498 CB ALA A 35 4.990 7.225 6.191 1.00 0.00 C ATOM 0 H ALA A 35 7.324 5.180 5.238 1.00 0.00 H new ATOM 0 HA ALA A 35 6.624 6.592 7.466 1.00 0.00 H new ATOM 0 HB1 ALA A 35 4.274 7.298 7.010 1.00 0.00 H new ATOM 0 HB2 ALA A 35 5.422 8.207 5.998 1.00 0.00 H new ATOM 0 HB3 ALA A 35 4.481 6.871 5.295 1.00 0.00 H new ATOM 504 N THR A 36 6.198 3.785 6.465 1.00 0.00 N ATOM 505 CA THR A 36 5.676 2.434 6.663 1.00 0.00 C ATOM 506 C THR A 36 4.958 2.309 7.999 1.00 0.00 C ATOM 507 O THR A 36 3.937 1.629 8.098 1.00 0.00 O ATOM 508 CB THR A 36 6.827 1.431 6.624 1.00 0.00 C ATOM 509 OG1 THR A 36 7.512 1.477 7.867 1.00 0.00 O ATOM 510 CG2 THR A 36 7.800 1.805 5.505 1.00 0.00 C ATOM 0 H THR A 36 7.112 3.827 6.014 1.00 0.00 H new ATOM 0 HA THR A 36 4.964 2.227 5.864 1.00 0.00 H new ATOM 0 HB THR A 36 6.436 0.430 6.443 1.00 0.00 H new ATOM 0 HG1 THR A 36 8.253 0.836 7.856 1.00 0.00 H new ATOM 0 HG21 THR A 36 8.620 1.087 5.481 1.00 0.00 H new ATOM 0 HG22 THR A 36 7.277 1.792 4.549 1.00 0.00 H new ATOM 0 HG23 THR A 36 8.198 2.803 5.687 1.00 0.00 H new ATOM 518 N ASP A 37 5.479 2.975 9.025 1.00 0.00 N ATOM 519 CA ASP A 37 4.861 2.938 10.341 1.00 0.00 C ATOM 520 C ASP A 37 3.978 4.165 10.554 1.00 0.00 C ATOM 521 O ASP A 37 3.122 4.178 11.439 1.00 0.00 O ATOM 522 CB ASP A 37 5.958 2.921 11.403 1.00 0.00 C ATOM 523 CG ASP A 37 6.668 1.574 11.388 1.00 0.00 C ATOM 524 OD1 ASP A 37 6.121 0.646 10.822 1.00 0.00 O ATOM 525 OD2 ASP A 37 7.756 1.496 11.939 1.00 0.00 O ATOM 0 H ASP A 37 6.324 3.544 8.969 1.00 0.00 H new ATOM 0 HA ASP A 37 4.243 2.043 10.417 1.00 0.00 H new ATOM 0 HB2 ASP A 37 6.673 3.722 11.214 1.00 0.00 H new ATOM 0 HB3 ASP A 37 5.527 3.105 12.387 1.00 0.00 H new ATOM 530 N LEU A 38 4.200 5.207 9.748 1.00 0.00 N ATOM 531 CA LEU A 38 3.424 6.443 9.873 1.00 0.00 C ATOM 532 C LEU A 38 2.258 6.455 8.884 1.00 0.00 C ATOM 533 O LEU A 38 2.328 5.837 7.820 1.00 0.00 O ATOM 534 CB LEU A 38 4.333 7.661 9.614 1.00 0.00 C ATOM 535 CG LEU A 38 5.135 8.009 10.879 1.00 0.00 C ATOM 536 CD1 LEU A 38 6.414 8.754 10.485 1.00 0.00 C ATOM 537 CD2 LEU A 38 4.303 8.901 11.804 1.00 0.00 C ATOM 0 H LEU A 38 4.903 5.220 9.009 1.00 0.00 H new ATOM 0 HA LEU A 38 3.023 6.495 10.885 1.00 0.00 H new ATOM 0 HB2 LEU A 38 5.015 7.446 8.791 1.00 0.00 H new ATOM 0 HB3 LEU A 38 3.729 8.516 9.312 1.00 0.00 H new ATOM 0 HG LEU A 38 5.387 7.085 11.400 1.00 0.00 H new ATOM 0 HD11 LEU A 38 6.982 9.001 11.382 1.00 0.00 H new ATOM 0 HD12 LEU A 38 7.018 8.121 9.835 1.00 0.00 H new ATOM 0 HD13 LEU A 38 6.153 9.671 9.957 1.00 0.00 H new ATOM 0 HD21 LEU A 38 4.882 9.140 12.696 1.00 0.00 H new ATOM 0 HD22 LEU A 38 4.042 9.822 11.283 1.00 0.00 H new ATOM 0 HD23 LEU A 38 3.392 8.377 12.093 1.00 0.00 H new ATOM 549 N PRO A 39 1.198 7.157 9.206 1.00 0.00 N ATOM 550 CA PRO A 39 0.006 7.263 8.321 1.00 0.00 C ATOM 551 C PRO A 39 0.324 8.004 7.028 1.00 0.00 C ATOM 552 O PRO A 39 1.406 8.574 6.871 1.00 0.00 O ATOM 553 CB PRO A 39 -1.022 8.030 9.172 1.00 0.00 C ATOM 554 CG PRO A 39 -0.211 8.789 10.170 1.00 0.00 C ATOM 555 CD PRO A 39 1.012 7.923 10.452 1.00 0.00 C ATOM 0 HA PRO A 39 -0.359 6.287 8.002 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -1.620 8.702 8.557 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -1.715 7.347 9.664 1.00 0.00 H new ATOM 0 HG2 PRO A 39 0.081 9.763 9.778 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -0.781 8.970 11.081 1.00 0.00 H new ATOM 0 HD2 PRO A 39 1.887 8.530 10.682 1.00 0.00 H new ATOM 0 HD3 PRO A 39 0.848 7.265 11.305 1.00 0.00 H new ATOM 563 N LEU A 40 -0.632 7.993 6.107 1.00 0.00 N ATOM 564 CA LEU A 40 -0.453 8.671 4.832 1.00 0.00 C ATOM 565 C LEU A 40 -0.503 10.180 5.015 1.00 0.00 C ATOM 566 O LEU A 40 0.033 10.937 4.205 1.00 0.00 O ATOM 567 CB LEU A 40 -1.537 8.228 3.830 1.00 0.00 C ATOM 568 CG LEU A 40 -2.906 8.831 4.196 1.00 0.00 C ATOM 569 CD1 LEU A 40 -3.926 8.466 3.118 1.00 0.00 C ATOM 570 CD2 LEU A 40 -3.365 8.279 5.545 1.00 0.00 C ATOM 0 H LEU A 40 -1.532 7.526 6.219 1.00 0.00 H new ATOM 0 HA LEU A 40 0.526 8.399 4.437 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -1.256 8.539 2.824 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -1.606 7.140 3.820 1.00 0.00 H new ATOM 0 HG LEU A 40 -2.820 9.916 4.262 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -4.896 8.892 3.375 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -3.598 8.864 2.158 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -4.012 7.381 3.051 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -4.334 8.707 5.803 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -3.452 7.194 5.484 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -2.637 8.542 6.312 1.00 0.00 H new ATOM 582 N THR A 41 -1.172 10.611 6.076 1.00 0.00 N ATOM 583 CA THR A 41 -1.325 12.029 6.351 1.00 0.00 C ATOM 584 C THR A 41 0.030 12.714 6.328 1.00 0.00 C ATOM 585 O THR A 41 0.146 13.855 5.890 1.00 0.00 O ATOM 586 CB THR A 41 -2.005 12.232 7.715 1.00 0.00 C ATOM 587 OG1 THR A 41 -2.956 11.201 7.915 1.00 0.00 O ATOM 588 CG2 THR A 41 -2.733 13.581 7.735 1.00 0.00 C ATOM 0 H THR A 41 -1.616 9.997 6.759 1.00 0.00 H new ATOM 0 HA THR A 41 -1.953 12.474 5.579 1.00 0.00 H new ATOM 0 HB THR A 41 -1.250 12.210 8.501 1.00 0.00 H new ATOM 0 HG1 THR A 41 -3.393 11.323 8.784 1.00 0.00 H new ATOM 0 HG21 THR A 41 -3.213 13.721 8.703 1.00 0.00 H new ATOM 0 HG22 THR A 41 -2.016 14.384 7.567 1.00 0.00 H new ATOM 0 HG23 THR A 41 -3.488 13.599 6.949 1.00 0.00 H new ATOM 596 N SER A 42 1.047 12.017 6.817 1.00 0.00 N ATOM 597 CA SER A 42 2.390 12.572 6.857 1.00 0.00 C ATOM 598 C SER A 42 2.772 13.179 5.507 1.00 0.00 C ATOM 599 O SER A 42 3.581 14.105 5.446 1.00 0.00 O ATOM 600 CB SER A 42 3.396 11.471 7.224 1.00 0.00 C ATOM 601 OG SER A 42 4.694 12.040 7.301 1.00 0.00 O ATOM 0 H SER A 42 0.967 11.071 7.189 1.00 0.00 H new ATOM 0 HA SER A 42 2.411 13.359 7.611 1.00 0.00 H new ATOM 0 HB2 SER A 42 3.126 11.017 8.178 1.00 0.00 H new ATOM 0 HB3 SER A 42 3.376 10.678 6.476 1.00 0.00 H new ATOM 0 HG SER A 42 5.343 11.344 7.536 1.00 0.00 H new ATOM 607 N TYR A 43 2.189 12.661 4.428 1.00 0.00 N ATOM 608 CA TYR A 43 2.485 13.167 3.093 1.00 0.00 C ATOM 609 C TYR A 43 1.876 14.546 2.886 1.00 0.00 C ATOM 610 O TYR A 43 2.101 15.191 1.863 1.00 0.00 O ATOM 611 CB TYR A 43 1.946 12.189 2.040 1.00 0.00 C ATOM 612 CG TYR A 43 2.444 10.778 2.318 1.00 0.00 C ATOM 613 CD1 TYR A 43 3.781 10.538 2.695 1.00 0.00 C ATOM 614 CD2 TYR A 43 1.558 9.698 2.199 1.00 0.00 C ATOM 615 CE1 TYR A 43 4.212 9.235 2.952 1.00 0.00 C ATOM 616 CE2 TYR A 43 2.001 8.397 2.458 1.00 0.00 C ATOM 617 CZ TYR A 43 3.317 8.168 2.835 1.00 0.00 C ATOM 618 OH TYR A 43 3.733 6.881 3.087 1.00 0.00 O ATOM 0 H TYR A 43 1.514 11.897 4.453 1.00 0.00 H new ATOM 0 HA TYR A 43 3.566 13.255 2.987 1.00 0.00 H new ATOM 0 HB2 TYR A 43 0.856 12.204 2.046 1.00 0.00 H new ATOM 0 HB3 TYR A 43 2.264 12.504 1.046 1.00 0.00 H new ATOM 0 HD1 TYR A 43 4.473 11.363 2.785 1.00 0.00 H new ATOM 0 HD2 TYR A 43 0.533 9.871 1.907 1.00 0.00 H new ATOM 0 HE1 TYR A 43 5.236 9.052 3.241 1.00 0.00 H new ATOM 0 HE2 TYR A 43 1.316 7.567 2.364 1.00 0.00 H new ATOM 0 HH TYR A 43 2.983 6.264 2.959 1.00 0.00 H new ATOM 628 N GLY A 44 1.122 15.005 3.869 1.00 0.00 N ATOM 629 CA GLY A 44 0.512 16.320 3.785 1.00 0.00 C ATOM 630 C GLY A 44 -0.486 16.384 2.641 1.00 0.00 C ATOM 631 O GLY A 44 -0.822 17.462 2.158 1.00 0.00 O ATOM 0 H GLY A 44 0.919 14.492 4.727 1.00 0.00 H new ATOM 0 HA2 GLY A 44 0.010 16.553 4.724 1.00 0.00 H new ATOM 0 HA3 GLY A 44 1.285 17.075 3.641 1.00 0.00 H new ATOM 635 N LEU A 45 -0.965 15.218 2.220 1.00 0.00 N ATOM 636 CA LEU A 45 -1.937 15.137 1.140 1.00 0.00 C ATOM 637 C LEU A 45 -3.297 15.654 1.600 1.00 0.00 C ATOM 638 O LEU A 45 -3.507 15.874 2.793 1.00 0.00 O ATOM 639 CB LEU A 45 -2.046 13.696 0.623 1.00 0.00 C ATOM 640 CG LEU A 45 -2.941 12.839 1.536 1.00 0.00 C ATOM 641 CD1 LEU A 45 -2.992 11.402 1.012 1.00 0.00 C ATOM 642 CD2 LEU A 45 -2.361 12.843 2.947 1.00 0.00 C ATOM 0 H LEU A 45 -0.694 14.316 2.612 1.00 0.00 H new ATOM 0 HA LEU A 45 -1.595 15.769 0.320 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -2.453 13.700 -0.388 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -1.052 13.252 0.565 1.00 0.00 H new ATOM 0 HG LEU A 45 -3.950 13.251 1.548 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -3.627 10.800 1.662 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -3.400 11.398 0.001 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -1.986 10.984 0.999 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -2.989 12.238 3.600 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -1.353 12.429 2.927 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -2.326 13.866 3.323 1.00 0.00 H new ATOM 654 N ASP A 46 -4.232 15.813 0.660 1.00 0.00 N ATOM 655 CA ASP A 46 -5.583 16.268 0.986 1.00 0.00 C ATOM 656 C ASP A 46 -6.557 15.091 0.947 1.00 0.00 C ATOM 657 O ASP A 46 -6.156 13.947 0.723 1.00 0.00 O ATOM 658 CB ASP A 46 -6.026 17.323 -0.019 1.00 0.00 C ATOM 659 CG ASP A 46 -5.244 18.608 0.212 1.00 0.00 C ATOM 660 OD1 ASP A 46 -4.603 18.707 1.244 1.00 0.00 O ATOM 661 OD2 ASP A 46 -5.296 19.472 -0.647 1.00 0.00 O ATOM 0 H ASP A 46 -4.077 15.633 -0.332 1.00 0.00 H new ATOM 0 HA ASP A 46 -5.578 16.697 1.988 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -5.862 16.963 -1.035 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -7.095 17.512 0.084 1.00 0.00 H new ATOM 666 N SER A 47 -7.839 15.379 1.161 1.00 0.00 N ATOM 667 CA SER A 47 -8.873 14.349 1.142 1.00 0.00 C ATOM 668 C SER A 47 -9.123 13.840 -0.276 1.00 0.00 C ATOM 669 O SER A 47 -9.364 12.654 -0.491 1.00 0.00 O ATOM 670 CB SER A 47 -10.172 14.907 1.722 1.00 0.00 C ATOM 671 OG SER A 47 -9.903 15.499 2.986 1.00 0.00 O ATOM 0 H SER A 47 -8.186 16.319 1.350 1.00 0.00 H new ATOM 0 HA SER A 47 -8.527 13.513 1.750 1.00 0.00 H new ATOM 0 HB2 SER A 47 -10.599 15.646 1.044 1.00 0.00 H new ATOM 0 HB3 SER A 47 -10.908 14.110 1.829 1.00 0.00 H new ATOM 0 HG SER A 47 -10.733 15.860 3.361 1.00 0.00 H new ATOM 677 N VAL A 48 -9.064 14.755 -1.240 1.00 0.00 N ATOM 678 CA VAL A 48 -9.286 14.402 -2.638 1.00 0.00 C ATOM 679 C VAL A 48 -8.103 13.615 -3.188 1.00 0.00 C ATOM 680 O VAL A 48 -8.239 12.856 -4.146 1.00 0.00 O ATOM 681 CB VAL A 48 -9.495 15.667 -3.473 1.00 0.00 C ATOM 682 CG1 VAL A 48 -10.743 16.403 -2.984 1.00 0.00 C ATOM 683 CG2 VAL A 48 -8.278 16.584 -3.329 1.00 0.00 C ATOM 0 H VAL A 48 -8.865 15.742 -1.079 1.00 0.00 H new ATOM 0 HA VAL A 48 -10.179 13.780 -2.696 1.00 0.00 H new ATOM 0 HB VAL A 48 -9.621 15.390 -4.520 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -10.891 17.304 -3.579 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -11.612 15.753 -3.087 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -10.617 16.677 -1.937 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -8.428 17.485 -3.924 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -8.151 16.858 -2.282 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -7.387 16.063 -3.678 1.00 0.00 H new ATOM 693 N TYR A 49 -6.942 13.814 -2.581 1.00 0.00 N ATOM 694 CA TYR A 49 -5.739 13.122 -3.029 1.00 0.00 C ATOM 695 C TYR A 49 -5.887 11.609 -2.841 1.00 0.00 C ATOM 696 O TYR A 49 -5.639 10.832 -3.759 1.00 0.00 O ATOM 697 CB TYR A 49 -4.517 13.628 -2.237 1.00 0.00 C ATOM 698 CG TYR A 49 -3.298 13.690 -3.134 1.00 0.00 C ATOM 699 CD1 TYR A 49 -3.296 14.554 -4.234 1.00 0.00 C ATOM 700 CD2 TYR A 49 -2.178 12.889 -2.872 1.00 0.00 C ATOM 701 CE1 TYR A 49 -2.178 14.617 -5.072 1.00 0.00 C ATOM 702 CE2 TYR A 49 -1.062 12.954 -3.707 1.00 0.00 C ATOM 703 CZ TYR A 49 -1.060 13.816 -4.809 1.00 0.00 C ATOM 704 OH TYR A 49 0.038 13.873 -5.642 1.00 0.00 O ATOM 0 H TYR A 49 -6.806 14.440 -1.787 1.00 0.00 H new ATOM 0 HA TYR A 49 -5.594 13.330 -4.089 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -4.725 14.616 -1.826 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -4.323 12.966 -1.393 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -4.158 15.173 -4.436 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -2.179 12.221 -2.023 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -2.177 15.283 -5.922 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -0.199 12.338 -3.502 1.00 0.00 H new ATOM 0 HH TYR A 49 0.727 13.256 -5.318 1.00 0.00 H new ATOM 714 N ALA A 50 -6.289 11.207 -1.641 1.00 0.00 N ATOM 715 CA ALA A 50 -6.452 9.790 -1.340 1.00 0.00 C ATOM 716 C ALA A 50 -7.335 9.125 -2.380 1.00 0.00 C ATOM 717 O ALA A 50 -7.096 7.984 -2.769 1.00 0.00 O ATOM 718 CB ALA A 50 -7.080 9.621 0.044 1.00 0.00 C ATOM 0 H ALA A 50 -6.506 11.835 -0.867 1.00 0.00 H new ATOM 0 HA ALA A 50 -5.470 9.318 -1.355 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -7.199 8.560 0.262 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -6.434 10.076 0.795 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -8.056 10.107 0.063 1.00 0.00 H new ATOM 724 N LEU A 51 -8.352 9.841 -2.829 1.00 0.00 N ATOM 725 CA LEU A 51 -9.258 9.294 -3.826 1.00 0.00 C ATOM 726 C LEU A 51 -8.515 8.965 -5.117 1.00 0.00 C ATOM 727 O LEU A 51 -8.602 7.847 -5.629 1.00 0.00 O ATOM 728 CB LEU A 51 -10.372 10.306 -4.116 1.00 0.00 C ATOM 729 CG LEU A 51 -11.286 9.796 -5.261 1.00 0.00 C ATOM 730 CD1 LEU A 51 -12.754 10.082 -4.920 1.00 0.00 C ATOM 731 CD2 LEU A 51 -10.928 10.506 -6.578 1.00 0.00 C ATOM 0 H LEU A 51 -8.570 10.790 -2.524 1.00 0.00 H new ATOM 0 HA LEU A 51 -9.688 8.373 -3.433 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -10.965 10.471 -3.216 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -9.936 11.266 -4.391 1.00 0.00 H new ATOM 0 HG LEU A 51 -11.137 8.722 -5.376 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -13.392 9.722 -5.727 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -13.018 9.572 -3.994 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -12.896 11.156 -4.796 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -11.575 10.141 -7.376 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -11.067 11.581 -6.461 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -9.888 10.300 -6.832 1.00 0.00 H new ATOM 743 N SER A 52 -7.774 9.939 -5.630 1.00 0.00 N ATOM 744 CA SER A 52 -7.017 9.733 -6.860 1.00 0.00 C ATOM 745 C SER A 52 -5.909 8.713 -6.653 1.00 0.00 C ATOM 746 O SER A 52 -5.720 7.808 -7.468 1.00 0.00 O ATOM 747 CB SER A 52 -6.412 11.060 -7.316 1.00 0.00 C ATOM 748 OG SER A 52 -6.038 10.960 -8.683 1.00 0.00 O ATOM 0 H SER A 52 -7.681 10.868 -5.220 1.00 0.00 H new ATOM 0 HA SER A 52 -7.696 9.353 -7.623 1.00 0.00 H new ATOM 0 HB2 SER A 52 -7.133 11.867 -7.182 1.00 0.00 H new ATOM 0 HB3 SER A 52 -5.543 11.305 -6.706 1.00 0.00 H new ATOM 0 HG SER A 52 -5.651 11.810 -8.979 1.00 0.00 H new ATOM 754 N ILE A 53 -5.173 8.869 -5.563 1.00 0.00 N ATOM 755 CA ILE A 53 -4.078 7.960 -5.265 1.00 0.00 C ATOM 756 C ILE A 53 -4.613 6.561 -4.989 1.00 0.00 C ATOM 757 O ILE A 53 -4.270 5.604 -5.674 1.00 0.00 O ATOM 758 CB ILE A 53 -3.319 8.465 -4.034 1.00 0.00 C ATOM 759 CG1 ILE A 53 -2.875 9.931 -4.236 1.00 0.00 C ATOM 760 CG2 ILE A 53 -2.093 7.578 -3.776 1.00 0.00 C ATOM 761 CD1 ILE A 53 -1.537 10.012 -4.979 1.00 0.00 C ATOM 0 H ILE A 53 -5.312 9.610 -4.876 1.00 0.00 H new ATOM 0 HA ILE A 53 -3.408 7.920 -6.124 1.00 0.00 H new ATOM 0 HB ILE A 53 -3.984 8.418 -3.171 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -3.638 10.470 -4.798 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -2.785 10.423 -3.267 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -1.558 7.943 -2.899 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -2.416 6.552 -3.603 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -1.433 7.609 -4.643 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -1.253 11.057 -5.105 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -0.769 9.494 -4.404 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -1.635 9.542 -5.958 1.00 0.00 H new ATOM 773 N ALA A 54 -5.484 6.449 -3.998 1.00 0.00 N ATOM 774 CA ALA A 54 -6.048 5.155 -3.658 1.00 0.00 C ATOM 775 C ALA A 54 -6.564 4.455 -4.904 1.00 0.00 C ATOM 776 O ALA A 54 -6.418 3.244 -5.041 1.00 0.00 O ATOM 777 CB ALA A 54 -7.189 5.320 -2.656 1.00 0.00 C ATOM 0 H ALA A 54 -5.811 7.226 -3.424 1.00 0.00 H new ATOM 0 HA ALA A 54 -5.261 4.548 -3.209 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -7.602 4.342 -2.411 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -6.811 5.792 -1.749 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -7.969 5.944 -3.092 1.00 0.00 H new ATOM 783 N ALA A 55 -7.139 5.230 -5.817 1.00 0.00 N ATOM 784 CA ALA A 55 -7.655 4.666 -7.062 1.00 0.00 C ATOM 785 C ALA A 55 -6.516 4.104 -7.916 1.00 0.00 C ATOM 786 O ALA A 55 -6.596 2.988 -8.413 1.00 0.00 O ATOM 787 CB ALA A 55 -8.407 5.736 -7.850 1.00 0.00 C ATOM 0 H ALA A 55 -7.259 6.238 -5.722 1.00 0.00 H new ATOM 0 HA ALA A 55 -8.338 3.854 -6.812 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -8.788 5.306 -8.776 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -9.240 6.109 -7.254 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -7.731 6.559 -8.083 1.00 0.00 H new ATOM 793 N GLU A 56 -5.466 4.888 -8.097 1.00 0.00 N ATOM 794 CA GLU A 56 -4.333 4.447 -8.910 1.00 0.00 C ATOM 795 C GLU A 56 -3.623 3.244 -8.272 1.00 0.00 C ATOM 796 O GLU A 56 -3.337 2.238 -8.941 1.00 0.00 O ATOM 797 CB GLU A 56 -3.341 5.598 -9.072 1.00 0.00 C ATOM 798 CG GLU A 56 -3.953 6.688 -9.957 1.00 0.00 C ATOM 799 CD GLU A 56 -2.998 7.873 -10.050 1.00 0.00 C ATOM 800 OE1 GLU A 56 -1.949 7.814 -9.427 1.00 0.00 O ATOM 801 OE2 GLU A 56 -3.325 8.821 -10.744 1.00 0.00 O ATOM 0 H GLU A 56 -5.370 5.822 -7.700 1.00 0.00 H new ATOM 0 HA GLU A 56 -4.713 4.141 -9.885 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -3.085 6.010 -8.096 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -2.415 5.233 -9.516 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -4.153 6.291 -10.952 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -4.909 7.011 -9.544 1.00 0.00 H new ATOM 808 N LEU A 57 -3.354 3.347 -6.972 1.00 0.00 N ATOM 809 CA LEU A 57 -2.684 2.269 -6.251 1.00 0.00 C ATOM 810 C LEU A 57 -3.463 0.967 -6.395 1.00 0.00 C ATOM 811 O LEU A 57 -2.967 0.010 -6.954 1.00 0.00 O ATOM 812 CB LEU A 57 -2.585 2.654 -4.759 1.00 0.00 C ATOM 813 CG LEU A 57 -1.284 3.427 -4.497 1.00 0.00 C ATOM 814 CD1 LEU A 57 -1.259 4.694 -5.339 1.00 0.00 C ATOM 815 CD2 LEU A 57 -1.205 3.788 -3.015 1.00 0.00 C ATOM 0 H LEU A 57 -3.588 4.159 -6.401 1.00 0.00 H new ATOM 0 HA LEU A 57 -1.687 2.122 -6.667 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -3.443 3.264 -4.475 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -2.614 1.756 -4.141 1.00 0.00 H new ATOM 0 HG LEU A 57 -0.430 2.806 -4.767 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -0.334 5.239 -5.149 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -1.315 4.430 -6.395 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -2.110 5.322 -5.077 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -0.283 4.337 -2.823 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -2.060 4.408 -2.746 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -1.216 2.876 -2.417 1.00 0.00 H new ATOM 827 N GLU A 58 -4.672 0.937 -5.880 1.00 0.00 N ATOM 828 CA GLU A 58 -5.476 -0.281 -5.957 1.00 0.00 C ATOM 829 C GLU A 58 -5.662 -0.732 -7.406 1.00 0.00 C ATOM 830 O GLU A 58 -5.736 -1.929 -7.686 1.00 0.00 O ATOM 831 CB GLU A 58 -6.834 -0.054 -5.326 1.00 0.00 C ATOM 832 CG GLU A 58 -7.594 1.057 -6.083 1.00 0.00 C ATOM 833 CD GLU A 58 -8.593 0.469 -7.086 1.00 0.00 C ATOM 834 OE1 GLU A 58 -8.173 -0.297 -7.936 1.00 0.00 O ATOM 835 OE2 GLU A 58 -9.761 0.804 -6.989 1.00 0.00 O ATOM 0 H GLU A 58 -5.122 1.722 -5.410 1.00 0.00 H new ATOM 0 HA GLU A 58 -4.945 -1.062 -5.414 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -7.411 -0.978 -5.346 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -6.715 0.225 -4.279 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -8.122 1.689 -5.369 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -6.882 1.694 -6.608 1.00 0.00 H new ATOM 842 N ASP A 59 -5.751 0.234 -8.323 1.00 0.00 N ATOM 843 CA ASP A 59 -5.946 -0.082 -9.740 1.00 0.00 C ATOM 844 C ASP A 59 -4.746 -0.863 -10.279 1.00 0.00 C ATOM 845 O ASP A 59 -4.868 -1.617 -11.246 1.00 0.00 O ATOM 846 CB ASP A 59 -6.121 1.217 -10.547 1.00 0.00 C ATOM 847 CG ASP A 59 -7.562 1.731 -10.446 1.00 0.00 C ATOM 848 OD1 ASP A 59 -8.386 1.039 -9.876 1.00 0.00 O ATOM 849 OD2 ASP A 59 -7.814 2.818 -10.942 1.00 0.00 O ATOM 0 H ASP A 59 -5.692 1.231 -8.114 1.00 0.00 H new ATOM 0 HA ASP A 59 -6.842 -0.694 -9.841 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -5.432 1.976 -10.176 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -5.866 1.039 -11.592 1.00 0.00 H new ATOM 854 N HIS A 60 -3.601 -0.690 -9.633 1.00 0.00 N ATOM 855 CA HIS A 60 -2.397 -1.409 -10.051 1.00 0.00 C ATOM 856 C HIS A 60 -2.473 -2.889 -9.654 1.00 0.00 C ATOM 857 O HIS A 60 -2.021 -3.760 -10.398 1.00 0.00 O ATOM 858 CB HIS A 60 -1.136 -0.754 -9.441 1.00 0.00 C ATOM 859 CG HIS A 60 -0.548 0.225 -10.405 1.00 0.00 C ATOM 860 ND1 HIS A 60 -1.268 1.309 -10.875 1.00 0.00 N ATOM 861 CD2 HIS A 60 0.680 0.297 -10.996 1.00 0.00 C ATOM 862 CE1 HIS A 60 -0.470 1.983 -11.719 1.00 0.00 C ATOM 863 NE2 HIS A 60 0.731 1.409 -11.829 1.00 0.00 N ATOM 0 H HIS A 60 -3.477 -0.071 -8.832 1.00 0.00 H new ATOM 0 HA HIS A 60 -2.331 -1.351 -11.137 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -1.393 -0.249 -8.510 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -0.401 -1.521 -9.196 1.00 0.00 H new ATOM 0 HD1 HIS A 60 -2.227 1.551 -10.626 1.00 0.00 H new ATOM 0 HD2 HIS A 60 1.488 -0.402 -10.841 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -0.763 2.880 -12.245 1.00 0.00 H new ATOM 872 N LEU A 61 -3.038 -3.167 -8.481 1.00 0.00 N ATOM 873 CA LEU A 61 -3.154 -4.543 -8.001 1.00 0.00 C ATOM 874 C LEU A 61 -4.525 -5.112 -8.341 1.00 0.00 C ATOM 875 O LEU A 61 -4.921 -6.139 -7.796 1.00 0.00 O ATOM 876 CB LEU A 61 -2.924 -4.608 -6.483 1.00 0.00 C ATOM 877 CG LEU A 61 -1.693 -3.784 -6.094 1.00 0.00 C ATOM 878 CD1 LEU A 61 -0.514 -4.149 -7.002 1.00 0.00 C ATOM 879 CD2 LEU A 61 -2.010 -2.282 -6.201 1.00 0.00 C ATOM 0 H LEU A 61 -3.420 -2.464 -7.849 1.00 0.00 H new ATOM 0 HA LEU A 61 -2.390 -5.141 -8.498 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -3.802 -4.231 -5.959 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -2.789 -5.644 -6.173 1.00 0.00 H new ATOM 0 HG LEU A 61 -1.422 -4.009 -5.062 1.00 0.00 H new ATOM 0 HD11 LEU A 61 0.358 -3.559 -6.720 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -0.286 -5.209 -6.894 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -0.775 -3.938 -8.039 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -1.129 -1.703 -5.923 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -2.293 -2.042 -7.226 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -2.833 -2.035 -5.530 1.00 0.00 H new ATOM 891 N ASP A 62 -5.234 -4.464 -9.265 1.00 0.00 N ATOM 892 CA ASP A 62 -6.544 -4.944 -9.680 1.00 0.00 C ATOM 893 C ASP A 62 -7.427 -5.266 -8.485 1.00 0.00 C ATOM 894 O ASP A 62 -7.857 -6.405 -8.309 1.00 0.00 O ATOM 895 CB ASP A 62 -6.377 -6.197 -10.521 1.00 0.00 C ATOM 896 CG ASP A 62 -5.814 -5.838 -11.894 1.00 0.00 C ATOM 897 OD1 ASP A 62 -5.836 -4.664 -12.237 1.00 0.00 O ATOM 898 OD2 ASP A 62 -5.370 -6.738 -12.589 1.00 0.00 O ATOM 0 H ASP A 62 -4.924 -3.613 -9.734 1.00 0.00 H new ATOM 0 HA ASP A 62 -7.023 -4.154 -10.258 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -5.709 -6.896 -10.017 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -7.338 -6.699 -10.634 1.00 0.00 H new ATOM 903 N VAL A 63 -7.686 -4.262 -7.667 1.00 0.00 N ATOM 904 CA VAL A 63 -8.512 -4.443 -6.480 1.00 0.00 C ATOM 905 C VAL A 63 -9.249 -3.159 -6.145 1.00 0.00 C ATOM 906 O VAL A 63 -8.854 -2.087 -6.576 1.00 0.00 O ATOM 907 CB VAL A 63 -7.623 -4.845 -5.293 1.00 0.00 C ATOM 908 CG1 VAL A 63 -7.231 -6.308 -5.414 1.00 0.00 C ATOM 909 CG2 VAL A 63 -6.345 -4.005 -5.286 1.00 0.00 C ATOM 0 H VAL A 63 -7.338 -3.312 -7.800 1.00 0.00 H new ATOM 0 HA VAL A 63 -9.243 -5.227 -6.678 1.00 0.00 H new ATOM 0 HB VAL A 63 -8.183 -4.680 -4.372 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -6.601 -6.587 -4.570 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -8.129 -6.926 -5.417 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -6.682 -6.462 -6.343 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -5.722 -4.298 -4.441 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -5.797 -4.168 -6.214 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -6.604 -2.950 -5.198 1.00 0.00 H new ATOM 919 N SER A 64 -10.333 -3.280 -5.384 1.00 0.00 N ATOM 920 CA SER A 64 -11.123 -2.115 -4.981 1.00 0.00 C ATOM 921 C SER A 64 -11.058 -1.970 -3.465 1.00 0.00 C ATOM 922 O SER A 64 -11.121 -2.960 -2.732 1.00 0.00 O ATOM 923 CB SER A 64 -12.574 -2.281 -5.426 1.00 0.00 C ATOM 924 OG SER A 64 -13.291 -1.090 -5.127 1.00 0.00 O ATOM 0 H SER A 64 -10.686 -4.170 -5.033 1.00 0.00 H new ATOM 0 HA SER A 64 -10.716 -1.221 -5.454 1.00 0.00 H new ATOM 0 HB2 SER A 64 -12.618 -2.488 -6.495 1.00 0.00 H new ATOM 0 HB3 SER A 64 -13.028 -3.131 -4.918 1.00 0.00 H new ATOM 0 HG SER A 64 -14.223 -1.189 -5.412 1.00 0.00 H new ATOM 930 N LEU A 65 -10.904 -0.733 -3.005 1.00 0.00 N ATOM 931 CA LEU A 65 -10.801 -0.440 -1.571 1.00 0.00 C ATOM 932 C LEU A 65 -12.041 0.322 -1.118 1.00 0.00 C ATOM 933 O LEU A 65 -12.783 0.867 -1.935 1.00 0.00 O ATOM 934 CB LEU A 65 -9.521 0.394 -1.279 1.00 0.00 C ATOM 935 CG LEU A 65 -8.893 0.879 -2.590 1.00 0.00 C ATOM 936 CD1 LEU A 65 -9.861 1.847 -3.320 1.00 0.00 C ATOM 937 CD2 LEU A 65 -7.558 1.567 -2.271 1.00 0.00 C ATOM 0 H LEU A 65 -10.847 0.090 -3.604 1.00 0.00 H new ATOM 0 HA LEU A 65 -10.733 -1.377 -1.019 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -9.771 1.248 -0.649 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -8.803 -0.211 -0.725 1.00 0.00 H new ATOM 0 HG LEU A 65 -8.709 0.034 -3.253 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -9.404 2.185 -4.250 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -10.795 1.330 -3.541 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -10.065 2.707 -2.682 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -7.099 1.918 -3.196 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -7.735 2.415 -1.609 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -6.891 0.858 -1.781 1.00 0.00 H new ATOM 949 N ASP A 66 -12.261 0.340 0.189 1.00 0.00 N ATOM 950 CA ASP A 66 -13.417 1.024 0.754 1.00 0.00 C ATOM 951 C ASP A 66 -13.036 2.438 1.213 1.00 0.00 C ATOM 952 O ASP A 66 -11.865 2.739 1.414 1.00 0.00 O ATOM 953 CB ASP A 66 -13.955 0.191 1.946 1.00 0.00 C ATOM 954 CG ASP A 66 -15.319 -0.421 1.604 1.00 0.00 C ATOM 955 OD1 ASP A 66 -15.393 -1.156 0.630 1.00 0.00 O ATOM 956 OD2 ASP A 66 -16.271 -0.136 2.312 1.00 0.00 O ATOM 0 H ASP A 66 -11.657 -0.110 0.877 1.00 0.00 H new ATOM 0 HA ASP A 66 -14.193 1.119 -0.006 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -13.247 -0.600 2.193 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -14.045 0.825 2.828 1.00 0.00 H new ATOM 961 N PRO A 67 -14.004 3.300 1.380 1.00 0.00 N ATOM 962 CA PRO A 67 -13.764 4.706 1.829 1.00 0.00 C ATOM 963 C PRO A 67 -13.270 4.774 3.273 1.00 0.00 C ATOM 964 O PRO A 67 -12.108 5.089 3.531 1.00 0.00 O ATOM 965 CB PRO A 67 -15.144 5.372 1.682 1.00 0.00 C ATOM 966 CG PRO A 67 -16.134 4.252 1.749 1.00 0.00 C ATOM 967 CD PRO A 67 -15.433 3.031 1.156 1.00 0.00 C ATOM 0 HA PRO A 67 -12.985 5.198 1.246 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -15.317 6.097 2.477 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -15.222 5.910 0.737 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -16.441 4.064 2.778 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -17.036 4.495 1.187 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -15.748 2.111 1.648 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -15.657 2.918 0.095 1.00 0.00 H new ATOM 975 N THR A 68 -14.161 4.484 4.211 1.00 0.00 N ATOM 976 CA THR A 68 -13.809 4.523 5.622 1.00 0.00 C ATOM 977 C THR A 68 -12.761 3.471 5.932 1.00 0.00 C ATOM 978 O THR A 68 -12.097 3.526 6.966 1.00 0.00 O ATOM 979 CB THR A 68 -15.049 4.273 6.483 1.00 0.00 C ATOM 980 OG1 THR A 68 -15.594 2.996 6.173 1.00 0.00 O ATOM 981 CG2 THR A 68 -16.088 5.355 6.203 1.00 0.00 C ATOM 0 H THR A 68 -15.128 4.221 4.021 1.00 0.00 H new ATOM 0 HA THR A 68 -13.405 5.510 5.849 1.00 0.00 H new ATOM 0 HB THR A 68 -14.772 4.301 7.537 1.00 0.00 H new ATOM 0 HG1 THR A 68 -16.387 2.836 6.726 1.00 0.00 H new ATOM 0 HG21 THR A 68 -16.972 5.178 6.816 1.00 0.00 H new ATOM 0 HG22 THR A 68 -15.669 6.332 6.444 1.00 0.00 H new ATOM 0 HG23 THR A 68 -16.366 5.329 5.149 1.00 0.00 H new ATOM 989 N LEU A 69 -12.604 2.516 5.028 1.00 0.00 N ATOM 990 CA LEU A 69 -11.614 1.467 5.227 1.00 0.00 C ATOM 991 C LEU A 69 -10.204 2.020 5.068 1.00 0.00 C ATOM 992 O LEU A 69 -9.315 1.704 5.850 1.00 0.00 O ATOM 993 CB LEU A 69 -11.862 0.329 4.234 1.00 0.00 C ATOM 994 CG LEU A 69 -10.844 -0.810 4.378 1.00 0.00 C ATOM 995 CD1 LEU A 69 -9.481 -0.414 3.784 1.00 0.00 C ATOM 996 CD2 LEU A 69 -10.730 -1.212 5.843 1.00 0.00 C ATOM 0 H LEU A 69 -13.139 2.445 4.163 1.00 0.00 H new ATOM 0 HA LEU A 69 -11.710 1.079 6.241 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -12.867 -0.066 4.383 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -11.821 0.722 3.218 1.00 0.00 H new ATOM 0 HG LEU A 69 -11.193 -1.674 3.812 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -8.780 -1.240 3.900 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -9.599 -0.184 2.725 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -9.098 0.463 4.305 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -10.007 -2.021 5.943 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -10.400 -0.355 6.431 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -11.702 -1.548 6.205 1.00 0.00 H new ATOM 1008 N ILE A 70 -10.002 2.849 4.055 1.00 0.00 N ATOM 1009 CA ILE A 70 -8.686 3.426 3.818 1.00 0.00 C ATOM 1010 C ILE A 70 -8.253 4.247 5.027 1.00 0.00 C ATOM 1011 O ILE A 70 -7.103 4.179 5.459 1.00 0.00 O ATOM 1012 CB ILE A 70 -8.726 4.308 2.563 1.00 0.00 C ATOM 1013 CG1 ILE A 70 -8.896 3.421 1.316 1.00 0.00 C ATOM 1014 CG2 ILE A 70 -7.424 5.107 2.448 1.00 0.00 C ATOM 1015 CD1 ILE A 70 -9.436 4.262 0.156 1.00 0.00 C ATOM 0 H ILE A 70 -10.722 3.135 3.391 1.00 0.00 H new ATOM 0 HA ILE A 70 -7.964 2.624 3.664 1.00 0.00 H new ATOM 0 HB ILE A 70 -9.566 4.999 2.637 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -7.940 2.976 1.041 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -9.580 2.600 1.532 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -7.458 5.731 1.555 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -7.306 5.739 3.328 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -6.581 4.420 2.378 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -9.555 3.632 -0.725 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -10.401 4.686 0.433 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -8.736 5.068 -0.066 1.00 0.00 H new ATOM 1027 N TRP A 71 -9.188 5.007 5.576 1.00 0.00 N ATOM 1028 CA TRP A 71 -8.903 5.827 6.745 1.00 0.00 C ATOM 1029 C TRP A 71 -8.678 4.950 7.978 1.00 0.00 C ATOM 1030 O TRP A 71 -8.356 5.455 9.052 1.00 0.00 O ATOM 1031 CB TRP A 71 -10.064 6.799 6.995 1.00 0.00 C ATOM 1032 CG TRP A 71 -9.977 7.942 6.033 1.00 0.00 C ATOM 1033 CD1 TRP A 71 -10.813 8.148 4.990 1.00 0.00 C ATOM 1034 CD2 TRP A 71 -9.014 9.036 6.010 1.00 0.00 C ATOM 1035 NE1 TRP A 71 -10.426 9.299 4.329 1.00 0.00 N ATOM 1036 CE2 TRP A 71 -9.321 9.883 4.920 1.00 0.00 C ATOM 1037 CE3 TRP A 71 -7.912 9.373 6.823 1.00 0.00 C ATOM 1038 CZ2 TRP A 71 -8.562 11.023 4.643 1.00 0.00 C ATOM 1039 CZ3 TRP A 71 -7.149 10.518 6.547 1.00 0.00 C ATOM 1040 CH2 TRP A 71 -7.473 11.342 5.461 1.00 0.00 C ATOM 0 H TRP A 71 -10.146 5.074 5.234 1.00 0.00 H new ATOM 0 HA TRP A 71 -7.992 6.396 6.557 1.00 0.00 H new ATOM 0 HB2 TRP A 71 -11.016 6.282 6.876 1.00 0.00 H new ATOM 0 HB3 TRP A 71 -10.028 7.169 8.020 1.00 0.00 H new ATOM 0 HD1 TRP A 71 -11.646 7.517 4.718 1.00 0.00 H new ATOM 0 HE1 TRP A 71 -10.898 9.672 3.505 1.00 0.00 H new ATOM 0 HE3 TRP A 71 -7.654 8.746 7.663 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 -8.814 11.653 3.803 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 -6.307 10.766 7.176 1.00 0.00 H new ATOM 0 HH2 TRP A 71 -6.882 12.223 5.256 1.00 0.00 H new ATOM 1051 N ASP A 72 -8.837 3.633 7.815 1.00 0.00 N ATOM 1052 CA ASP A 72 -8.633 2.696 8.932 1.00 0.00 C ATOM 1053 C ASP A 72 -7.258 2.043 8.837 1.00 0.00 C ATOM 1054 O ASP A 72 -6.668 1.664 9.848 1.00 0.00 O ATOM 1055 CB ASP A 72 -9.721 1.627 8.932 1.00 0.00 C ATOM 1056 CG ASP A 72 -11.084 2.291 9.092 1.00 0.00 C ATOM 1057 OD1 ASP A 72 -11.133 3.350 9.697 1.00 0.00 O ATOM 1058 OD2 ASP A 72 -12.054 1.737 8.606 1.00 0.00 O ATOM 0 H ASP A 72 -9.103 3.193 6.934 1.00 0.00 H new ATOM 0 HA ASP A 72 -8.689 3.256 9.865 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -9.688 1.059 8.002 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -9.551 0.920 9.744 1.00 0.00 H new ATOM 1063 N HIS A 73 -6.748 1.924 7.608 1.00 0.00 N ATOM 1064 CA HIS A 73 -5.430 1.325 7.366 1.00 0.00 C ATOM 1065 C HIS A 73 -4.503 2.334 6.676 1.00 0.00 C ATOM 1066 O HIS A 73 -3.991 2.075 5.591 1.00 0.00 O ATOM 1067 CB HIS A 73 -5.586 0.086 6.482 1.00 0.00 C ATOM 1068 CG HIS A 73 -6.730 -0.747 6.981 1.00 0.00 C ATOM 1069 ND1 HIS A 73 -7.259 -0.602 8.254 1.00 0.00 N ATOM 1070 CD2 HIS A 73 -7.470 -1.732 6.380 1.00 0.00 C ATOM 1071 CE1 HIS A 73 -8.276 -1.476 8.367 1.00 0.00 C ATOM 1072 NE2 HIS A 73 -8.439 -2.191 7.259 1.00 0.00 N ATOM 0 H HIS A 73 -7.228 2.235 6.763 1.00 0.00 H new ATOM 0 HA HIS A 73 -4.991 1.041 8.323 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -5.763 0.384 5.449 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -4.666 -0.498 6.492 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -7.321 -2.096 5.374 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -8.886 -1.583 9.252 1.00 0.00 H new ATOM 0 HE2 HIS A 73 -9.130 -2.922 7.091 1.00 0.00 H new ATOM 1081 N PRO A 74 -4.283 3.469 7.288 1.00 0.00 N ATOM 1082 CA PRO A 74 -3.403 4.541 6.729 1.00 0.00 C ATOM 1083 C PRO A 74 -1.926 4.174 6.805 1.00 0.00 C ATOM 1084 O PRO A 74 -1.064 4.939 6.377 1.00 0.00 O ATOM 1085 CB PRO A 74 -3.712 5.749 7.626 1.00 0.00 C ATOM 1086 CG PRO A 74 -4.122 5.158 8.931 1.00 0.00 C ATOM 1087 CD PRO A 74 -4.860 3.869 8.582 1.00 0.00 C ATOM 0 HA PRO A 74 -3.592 4.721 5.671 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -2.839 6.391 7.739 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -4.507 6.363 7.203 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -3.255 4.956 9.560 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -4.766 5.841 9.486 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -4.706 3.103 9.342 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -5.935 4.032 8.507 1.00 0.00 H new ATOM 1095 N THR A 75 -1.644 2.994 7.342 1.00 0.00 N ATOM 1096 CA THR A 75 -0.262 2.524 7.476 1.00 0.00 C ATOM 1097 C THR A 75 -0.022 1.282 6.627 1.00 0.00 C ATOM 1098 O THR A 75 -0.937 0.503 6.362 1.00 0.00 O ATOM 1099 CB THR A 75 0.026 2.195 8.941 1.00 0.00 C ATOM 1100 OG1 THR A 75 -0.979 1.321 9.435 1.00 0.00 O ATOM 1101 CG2 THR A 75 0.035 3.483 9.764 1.00 0.00 C ATOM 0 H THR A 75 -2.347 2.344 7.692 1.00 0.00 H new ATOM 0 HA THR A 75 0.403 3.315 7.131 1.00 0.00 H new ATOM 0 HB THR A 75 0.999 1.711 9.020 1.00 0.00 H new ATOM 0 HG1 THR A 75 -0.795 1.108 10.374 1.00 0.00 H new ATOM 0 HG21 THR A 75 0.240 3.246 10.808 1.00 0.00 H new ATOM 0 HG22 THR A 75 0.808 4.152 9.385 1.00 0.00 H new ATOM 0 HG23 THR A 75 -0.937 3.971 9.687 1.00 0.00 H new ATOM 1109 N ILE A 76 1.227 1.115 6.205 1.00 0.00 N ATOM 1110 CA ILE A 76 1.610 -0.026 5.382 1.00 0.00 C ATOM 1111 C ILE A 76 1.381 -1.317 6.149 1.00 0.00 C ATOM 1112 O ILE A 76 0.923 -2.306 5.589 1.00 0.00 O ATOM 1113 CB ILE A 76 3.088 0.066 4.970 1.00 0.00 C ATOM 1114 CG1 ILE A 76 3.265 1.264 4.019 1.00 0.00 C ATOM 1115 CG2 ILE A 76 3.523 -1.231 4.253 1.00 0.00 C ATOM 1116 CD1 ILE A 76 4.699 1.321 3.465 1.00 0.00 C ATOM 0 H ILE A 76 1.991 1.756 6.420 1.00 0.00 H new ATOM 0 HA ILE A 76 0.995 -0.018 4.482 1.00 0.00 H new ATOM 0 HB ILE A 76 3.705 0.199 5.859 1.00 0.00 H new ATOM 0 HG12 ILE A 76 2.556 1.187 3.195 1.00 0.00 H new ATOM 0 HG13 ILE A 76 3.039 2.190 4.548 1.00 0.00 H new ATOM 0 HG21 ILE A 76 4.572 -1.154 3.966 1.00 0.00 H new ATOM 0 HG22 ILE A 76 3.392 -2.079 4.925 1.00 0.00 H new ATOM 0 HG23 ILE A 76 2.913 -1.376 3.362 1.00 0.00 H new ATOM 0 HD11 ILE A 76 4.797 2.176 2.796 1.00 0.00 H new ATOM 0 HD12 ILE A 76 5.404 1.423 4.290 1.00 0.00 H new ATOM 0 HD13 ILE A 76 4.914 0.404 2.916 1.00 0.00 H new ATOM 1128 N ASP A 77 1.719 -1.309 7.426 1.00 0.00 N ATOM 1129 CA ASP A 77 1.557 -2.498 8.246 1.00 0.00 C ATOM 1130 C ASP A 77 0.135 -3.041 8.120 1.00 0.00 C ATOM 1131 O ASP A 77 -0.069 -4.232 7.860 1.00 0.00 O ATOM 1132 CB ASP A 77 1.851 -2.136 9.701 1.00 0.00 C ATOM 1133 CG ASP A 77 3.351 -1.941 9.911 1.00 0.00 C ATOM 1134 OD1 ASP A 77 4.111 -2.371 9.060 1.00 0.00 O ATOM 1135 OD2 ASP A 77 3.715 -1.367 10.923 1.00 0.00 O ATOM 0 H ASP A 77 2.104 -0.501 7.915 1.00 0.00 H new ATOM 0 HA ASP A 77 2.249 -3.270 7.909 1.00 0.00 H new ATOM 0 HB2 ASP A 77 1.319 -1.224 9.970 1.00 0.00 H new ATOM 0 HB3 ASP A 77 1.485 -2.924 10.359 1.00 0.00 H new ATOM 1140 N ALA A 78 -0.847 -2.160 8.281 1.00 0.00 N ATOM 1141 CA ALA A 78 -2.241 -2.567 8.166 1.00 0.00 C ATOM 1142 C ALA A 78 -2.576 -2.914 6.722 1.00 0.00 C ATOM 1143 O ALA A 78 -3.214 -3.929 6.446 1.00 0.00 O ATOM 1144 CB ALA A 78 -3.158 -1.442 8.651 1.00 0.00 C ATOM 0 H ALA A 78 -0.706 -1.171 8.489 1.00 0.00 H new ATOM 0 HA ALA A 78 -2.395 -3.450 8.786 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -4.198 -1.756 8.561 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -2.936 -1.216 9.694 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -2.994 -0.552 8.044 1.00 0.00 H new ATOM 1150 N LEU A 79 -2.159 -2.054 5.800 1.00 0.00 N ATOM 1151 CA LEU A 79 -2.439 -2.279 4.388 1.00 0.00 C ATOM 1152 C LEU A 79 -1.814 -3.587 3.915 1.00 0.00 C ATOM 1153 O LEU A 79 -2.450 -4.371 3.213 1.00 0.00 O ATOM 1154 CB LEU A 79 -1.880 -1.103 3.558 1.00 0.00 C ATOM 1155 CG LEU A 79 -2.869 -0.689 2.448 1.00 0.00 C ATOM 1156 CD1 LEU A 79 -3.267 -1.912 1.585 1.00 0.00 C ATOM 1157 CD2 LEU A 79 -4.135 -0.052 3.082 1.00 0.00 C ATOM 0 H LEU A 79 -1.632 -1.204 6.002 1.00 0.00 H new ATOM 0 HA LEU A 79 -3.519 -2.344 4.252 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -1.685 -0.253 4.211 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -0.927 -1.388 3.113 1.00 0.00 H new ATOM 0 HG LEU A 79 -2.382 0.043 1.804 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -3.965 -1.598 0.809 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -2.376 -2.336 1.122 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -3.741 -2.664 2.216 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -4.830 0.238 2.294 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -4.615 -0.775 3.741 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -3.850 0.829 3.657 1.00 0.00 H new ATOM 1169 N SER A 80 -0.566 -3.807 4.301 1.00 0.00 N ATOM 1170 CA SER A 80 0.138 -5.016 3.906 1.00 0.00 C ATOM 1171 C SER A 80 -0.600 -6.239 4.423 1.00 0.00 C ATOM 1172 O SER A 80 -0.813 -7.199 3.686 1.00 0.00 O ATOM 1173 CB SER A 80 1.560 -4.995 4.460 1.00 0.00 C ATOM 1174 OG SER A 80 2.272 -3.910 3.878 1.00 0.00 O ATOM 0 H SER A 80 -0.024 -3.169 4.883 1.00 0.00 H new ATOM 0 HA SER A 80 0.181 -5.061 2.818 1.00 0.00 H new ATOM 0 HB2 SER A 80 1.539 -4.892 5.545 1.00 0.00 H new ATOM 0 HB3 SER A 80 2.063 -5.936 4.239 1.00 0.00 H new ATOM 0 HG SER A 80 2.301 -4.022 2.905 1.00 0.00 H new ATOM 1180 N THR A 81 -0.990 -6.195 5.693 1.00 0.00 N ATOM 1181 CA THR A 81 -1.704 -7.315 6.300 1.00 0.00 C ATOM 1182 C THR A 81 -2.994 -7.588 5.528 1.00 0.00 C ATOM 1183 O THR A 81 -3.344 -8.738 5.249 1.00 0.00 O ATOM 1184 CB THR A 81 -2.036 -6.996 7.758 1.00 0.00 C ATOM 1185 OG1 THR A 81 -0.828 -6.846 8.491 1.00 0.00 O ATOM 1186 CG2 THR A 81 -2.862 -8.136 8.355 1.00 0.00 C ATOM 0 H THR A 81 -0.826 -5.405 6.317 1.00 0.00 H new ATOM 0 HA THR A 81 -1.068 -8.200 6.264 1.00 0.00 H new ATOM 0 HB THR A 81 -2.611 -6.071 7.810 1.00 0.00 H new ATOM 0 HG1 THR A 81 -0.455 -5.954 8.328 1.00 0.00 H new ATOM 0 HG21 THR A 81 -3.099 -7.908 9.394 1.00 0.00 H new ATOM 0 HG22 THR A 81 -3.787 -8.250 7.789 1.00 0.00 H new ATOM 0 HG23 THR A 81 -2.290 -9.063 8.308 1.00 0.00 H new ATOM 1194 N ALA A 82 -3.702 -6.532 5.184 1.00 0.00 N ATOM 1195 CA ALA A 82 -4.941 -6.686 4.442 1.00 0.00 C ATOM 1196 C ALA A 82 -4.664 -7.171 3.020 1.00 0.00 C ATOM 1197 O ALA A 82 -5.396 -8.017 2.486 1.00 0.00 O ATOM 1198 CB ALA A 82 -5.679 -5.348 4.384 1.00 0.00 C ATOM 0 H ALA A 82 -3.447 -5.569 5.402 1.00 0.00 H new ATOM 0 HA ALA A 82 -5.557 -7.426 4.953 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -6.608 -5.469 3.826 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -5.904 -5.013 5.396 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -5.052 -4.608 3.888 1.00 0.00 H new ATOM 1204 N LEU A 83 -3.612 -6.631 2.393 1.00 0.00 N ATOM 1205 CA LEU A 83 -3.290 -7.009 1.028 1.00 0.00 C ATOM 1206 C LEU A 83 -2.966 -8.496 0.939 1.00 0.00 C ATOM 1207 O LEU A 83 -3.505 -9.208 0.095 1.00 0.00 O ATOM 1208 CB LEU A 83 -2.081 -6.174 0.537 1.00 0.00 C ATOM 1209 CG LEU A 83 -2.201 -5.893 -0.962 1.00 0.00 C ATOM 1210 CD1 LEU A 83 -0.936 -5.174 -1.439 1.00 0.00 C ATOM 1211 CD2 LEU A 83 -2.381 -7.211 -1.724 1.00 0.00 C ATOM 0 H LEU A 83 -2.984 -5.943 2.808 1.00 0.00 H new ATOM 0 HA LEU A 83 -4.155 -6.811 0.395 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -2.033 -5.234 1.087 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -1.154 -6.710 0.740 1.00 0.00 H new ATOM 0 HG LEU A 83 -3.068 -5.261 -1.151 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -1.014 -4.970 -2.507 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -0.825 -4.235 -0.897 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -0.067 -5.805 -1.253 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -2.466 -7.006 -2.791 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -1.520 -7.855 -1.546 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -3.286 -7.711 -1.378 1.00 0.00 H new ATOM 1223 N VAL A 84 -2.083 -8.958 1.813 1.00 0.00 N ATOM 1224 CA VAL A 84 -1.708 -10.363 1.814 1.00 0.00 C ATOM 1225 C VAL A 84 -2.919 -11.214 2.153 1.00 0.00 C ATOM 1226 O VAL A 84 -3.039 -12.350 1.691 1.00 0.00 O ATOM 1227 CB VAL A 84 -0.575 -10.616 2.818 1.00 0.00 C ATOM 1228 CG1 VAL A 84 -1.071 -10.339 4.235 1.00 0.00 C ATOM 1229 CG2 VAL A 84 -0.094 -12.067 2.715 1.00 0.00 C ATOM 0 H VAL A 84 -1.619 -8.389 2.521 1.00 0.00 H new ATOM 0 HA VAL A 84 -1.349 -10.636 0.822 1.00 0.00 H new ATOM 0 HB VAL A 84 0.256 -9.949 2.589 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -0.264 -10.520 4.945 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -1.395 -9.301 4.311 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -1.909 -10.998 4.463 1.00 0.00 H new ATOM 0 HG21 VAL A 84 0.710 -12.236 3.432 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -0.922 -12.741 2.933 1.00 0.00 H new ATOM 0 HG23 VAL A 84 0.273 -12.258 1.707 1.00 0.00 H new ATOM 1239 N ALA A 85 -3.823 -10.660 2.959 1.00 0.00 N ATOM 1240 CA ALA A 85 -5.022 -11.389 3.341 1.00 0.00 C ATOM 1241 C ALA A 85 -5.833 -11.740 2.103 1.00 0.00 C ATOM 1242 O ALA A 85 -6.415 -12.822 2.014 1.00 0.00 O ATOM 1243 CB ALA A 85 -5.872 -10.544 4.290 1.00 0.00 C ATOM 0 H ALA A 85 -3.747 -9.722 3.353 1.00 0.00 H new ATOM 0 HA ALA A 85 -4.727 -12.307 3.849 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -6.767 -11.100 4.569 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -5.295 -10.311 5.185 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -6.160 -9.618 3.793 1.00 0.00 H new ATOM 1249 N GLU A 86 -5.861 -10.822 1.143 1.00 0.00 N ATOM 1250 CA GLU A 86 -6.600 -11.055 -0.097 1.00 0.00 C ATOM 1251 C GLU A 86 -6.208 -12.394 -0.715 1.00 0.00 C ATOM 1252 O GLU A 86 -6.919 -12.925 -1.568 1.00 0.00 O ATOM 1253 CB GLU A 86 -6.312 -9.943 -1.109 1.00 0.00 C ATOM 1254 CG GLU A 86 -6.785 -8.605 -0.546 1.00 0.00 C ATOM 1255 CD GLU A 86 -8.302 -8.620 -0.368 1.00 0.00 C ATOM 1256 OE1 GLU A 86 -8.990 -8.892 -1.338 1.00 0.00 O ATOM 1257 OE2 GLU A 86 -8.752 -8.372 0.738 1.00 0.00 O ATOM 0 H GLU A 86 -5.388 -9.920 1.195 1.00 0.00 H new ATOM 0 HA GLU A 86 -7.662 -11.064 0.147 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -5.244 -9.901 -1.325 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -6.820 -10.153 -2.050 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -6.300 -8.412 0.411 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -6.497 -7.796 -1.218 1.00 0.00 H new ATOM 1264 N LEU A 87 -5.067 -12.935 -0.285 1.00 0.00 N ATOM 1265 CA LEU A 87 -4.578 -14.216 -0.806 1.00 0.00 C ATOM 1266 C LEU A 87 -4.797 -15.338 0.208 1.00 0.00 C ATOM 1267 O LEU A 87 -4.737 -16.519 -0.136 1.00 0.00 O ATOM 1268 CB LEU A 87 -3.072 -14.102 -1.158 1.00 0.00 C ATOM 1269 CG LEU A 87 -2.759 -14.801 -2.490 1.00 0.00 C ATOM 1270 CD1 LEU A 87 -3.135 -16.288 -2.385 1.00 0.00 C ATOM 1271 CD2 LEU A 87 -3.527 -14.107 -3.644 1.00 0.00 C ATOM 0 H LEU A 87 -4.465 -12.509 0.420 1.00 0.00 H new ATOM 0 HA LEU A 87 -5.141 -14.458 -1.707 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -2.789 -13.051 -1.220 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -2.475 -14.546 -0.362 1.00 0.00 H new ATOM 0 HG LEU A 87 -1.693 -14.728 -2.706 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -2.914 -16.787 -3.329 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -2.559 -16.753 -1.585 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -4.199 -16.380 -2.167 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -3.300 -14.608 -4.585 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -4.599 -14.162 -3.453 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -3.223 -13.062 -3.707 1.00 0.00 H new ATOM 1283 N ARG A 88 -5.045 -14.965 1.451 1.00 0.00 N ATOM 1284 CA ARG A 88 -5.266 -15.951 2.493 1.00 0.00 C ATOM 1285 C ARG A 88 -6.662 -16.549 2.388 1.00 0.00 C ATOM 1286 O ARG A 88 -7.365 -16.348 1.397 1.00 0.00 O ATOM 1287 CB ARG A 88 -5.079 -15.299 3.864 1.00 0.00 C ATOM 1288 CG ARG A 88 -3.605 -14.894 4.062 1.00 0.00 C ATOM 1289 CD ARG A 88 -2.795 -16.083 4.591 1.00 0.00 C ATOM 1290 NE ARG A 88 -3.346 -16.525 5.863 1.00 0.00 N ATOM 1291 CZ ARG A 88 -2.899 -17.624 6.459 1.00 0.00 C ATOM 1292 NH1 ARG A 88 -1.955 -18.328 5.902 1.00 0.00 N ATOM 1293 NH2 ARG A 88 -3.410 -17.998 7.600 1.00 0.00 N ATOM 0 H ARG A 88 -5.098 -13.995 1.762 1.00 0.00 H new ATOM 0 HA ARG A 88 -4.541 -16.755 2.369 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -5.720 -14.421 3.948 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -5.382 -15.992 4.649 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -3.185 -14.550 3.117 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -3.540 -14.061 4.762 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -2.818 -16.900 3.870 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -1.751 -15.797 4.716 1.00 0.00 H new ATOM 0 HE ARG A 88 -4.088 -15.982 6.304 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -1.560 -18.035 5.009 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -1.611 -19.172 6.359 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -4.151 -17.446 8.032 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -3.068 -18.842 8.060 1.00 0.00 H new ATOM 1307 N SER A 89 -7.054 -17.288 3.418 1.00 0.00 N ATOM 1308 CA SER A 89 -8.367 -17.915 3.435 1.00 0.00 C ATOM 1309 C SER A 89 -9.456 -16.872 3.666 1.00 0.00 C ATOM 1310 O SER A 89 -10.389 -16.749 2.873 1.00 0.00 O ATOM 1311 CB SER A 89 -8.421 -18.971 4.539 1.00 0.00 C ATOM 1312 OG SER A 89 -9.701 -19.592 4.527 1.00 0.00 O ATOM 0 H SER A 89 -6.486 -17.466 4.246 1.00 0.00 H new ATOM 0 HA SER A 89 -8.539 -18.390 2.469 1.00 0.00 H new ATOM 0 HB2 SER A 89 -7.640 -19.716 4.385 1.00 0.00 H new ATOM 0 HB3 SER A 89 -8.236 -18.510 5.509 1.00 0.00 H new ATOM 0 HG SER A 89 -9.742 -20.272 5.232 1.00 0.00 H new ATOM 1318 N ALA A 90 -9.327 -16.124 4.758 1.00 0.00 N ATOM 1319 CA ALA A 90 -10.308 -15.095 5.089 1.00 0.00 C ATOM 1320 C ALA A 90 -9.701 -14.059 6.033 1.00 0.00 C ATOM 1321 O ALA A 90 -8.548 -14.221 6.396 1.00 0.00 O ATOM 1322 CB ALA A 90 -11.533 -15.733 5.748 1.00 0.00 C ATOM 1323 OXT ALA A 90 -10.400 -13.121 6.377 1.00 0.00 O ATOM 0 H ALA A 90 -8.559 -16.210 5.424 1.00 0.00 H new ATOM 0 HA ALA A 90 -10.610 -14.598 4.167 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -12.260 -14.958 5.992 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -11.983 -16.450 5.062 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -11.229 -16.246 6.661 1.00 0.00 H new TER 1329 ALA A 90