USER MOD reduce.3.24.130724 H: found=0, std=0, add=671, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 670 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 9 LYS NZ :NH3+ -147:sc= 0 (180deg=0) USER MOD Set 1.2: A 52 ASN : amide:sc= -5.03! C(o=-5!,f=-6.8!) USER MOD Single : A 1 MET CE :methyl -165:sc= 0 (180deg=-0.212) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot 180:sc= -0.0441 USER MOD Single : A 11 MET CE :methyl -163:sc= -1.29 (180deg=-2.78!) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 159:sc= 0 (180deg=-0.378) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 GLN : amide:sc= -8.47! C(o=-8.5!,f=-6.5!) USER MOD Single : A 34 THR OG1 : rot -140:sc= -1.01 USER MOD Single : A 37 HIS : no HD1:sc= -3.66! C(o=-3.7!,f=-6.5!) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 MET CE :methyl 178:sc= -0.54 (180deg=-0.56) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot -60:sc= 0.145 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot -127:sc= -0.389 USER MOD Single : A 79 ASN : amide:sc= -3.66! K(o=-3.7!,f=-0.047) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 MET CE :methyl -124:sc= -1.35 (180deg=-4.56!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 12.596 16.521 6.008 1.00 0.00 N ATOM 2 CA MET A 1 11.595 15.912 6.920 1.00 0.00 C ATOM 3 C MET A 1 10.479 16.899 7.247 1.00 0.00 C ATOM 4 O MET A 1 10.706 17.901 7.927 1.00 0.00 O ATOM 5 CB MET A 1 12.306 15.472 8.202 1.00 0.00 C ATOM 6 CG MET A 1 12.208 13.979 8.467 1.00 0.00 C ATOM 7 SD MET A 1 13.393 13.023 7.503 1.00 0.00 S ATOM 8 CE MET A 1 12.691 11.380 7.637 1.00 0.00 C ATOM 0 H1 MET A 1 13.344 15.829 5.802 1.00 0.00 H new ATOM 0 H2 MET A 1 12.131 16.803 5.121 1.00 0.00 H new ATOM 0 H3 MET A 1 13.015 17.358 6.461 1.00 0.00 H new ATOM 0 HA MET A 1 11.140 15.051 6.430 1.00 0.00 H new ATOM 0 HB2 MET A 1 13.357 15.754 8.140 1.00 0.00 H new ATOM 0 HB3 MET A 1 11.880 16.012 9.048 1.00 0.00 H new ATOM 0 HG2 MET A 1 12.373 13.791 9.528 1.00 0.00 H new ATOM 0 HG3 MET A 1 11.199 13.638 8.236 1.00 0.00 H new ATOM 0 HE1 MET A 1 13.431 10.642 7.329 1.00 0.00 H new ATOM 0 HE2 MET A 1 12.399 11.192 8.670 1.00 0.00 H new ATOM 0 HE3 MET A 1 11.815 11.305 6.993 1.00 0.00 H new ATOM 20 N GLY A 2 9.280 16.623 6.745 1.00 0.00 N ATOM 21 CA GLY A 2 8.151 17.503 6.993 1.00 0.00 C ATOM 22 C GLY A 2 6.921 17.096 6.206 1.00 0.00 C ATOM 23 O GLY A 2 5.876 17.744 6.288 1.00 0.00 O ATOM 0 H GLY A 2 9.069 15.807 6.171 1.00 0.00 H new ATOM 0 HA2 GLY A 2 7.917 17.498 8.057 1.00 0.00 H new ATOM 0 HA3 GLY A 2 8.425 18.525 6.731 1.00 0.00 H new ATOM 27 N ASP A 3 7.070 16.056 5.394 1.00 0.00 N ATOM 28 CA ASP A 3 5.972 15.554 4.574 1.00 0.00 C ATOM 29 C ASP A 3 5.192 14.462 5.298 1.00 0.00 C ATOM 30 O ASP A 3 5.702 13.832 6.222 1.00 0.00 O ATOM 31 CB ASP A 3 6.508 15.012 3.247 1.00 0.00 C ATOM 32 CG ASP A 3 7.399 16.011 2.533 1.00 0.00 C ATOM 33 OD1 ASP A 3 8.590 16.111 2.898 1.00 0.00 O ATOM 34 OD2 ASP A 3 6.908 16.691 1.609 1.00 0.00 O ATOM 0 H ASP A 3 7.944 15.542 5.285 1.00 0.00 H new ATOM 0 HA ASP A 3 5.295 16.386 4.380 1.00 0.00 H new ATOM 0 HB2 ASP A 3 7.069 14.096 3.432 1.00 0.00 H new ATOM 0 HB3 ASP A 3 5.671 14.748 2.600 1.00 0.00 H new ATOM 39 N VAL A 4 3.955 14.237 4.869 1.00 0.00 N ATOM 40 CA VAL A 4 3.131 13.183 5.448 1.00 0.00 C ATOM 41 C VAL A 4 3.152 11.940 4.566 1.00 0.00 C ATOM 42 O VAL A 4 2.798 12.000 3.389 1.00 0.00 O ATOM 43 CB VAL A 4 1.672 13.632 5.656 1.00 0.00 C ATOM 44 CG1 VAL A 4 1.157 13.130 6.996 1.00 0.00 C ATOM 45 CG2 VAL A 4 1.549 15.146 5.564 1.00 0.00 C ATOM 0 H VAL A 4 3.502 14.768 4.125 1.00 0.00 H new ATOM 0 HA VAL A 4 3.558 12.952 6.424 1.00 0.00 H new ATOM 0 HB VAL A 4 1.062 13.200 4.863 1.00 0.00 H new ATOM 0 HG11 VAL A 4 0.125 13.453 7.133 1.00 0.00 H new ATOM 0 HG12 VAL A 4 1.203 12.041 7.019 1.00 0.00 H new ATOM 0 HG13 VAL A 4 1.774 13.536 7.798 1.00 0.00 H new ATOM 0 HG21 VAL A 4 0.509 15.436 5.714 1.00 0.00 H new ATOM 0 HG22 VAL A 4 2.170 15.609 6.331 1.00 0.00 H new ATOM 0 HG23 VAL A 4 1.880 15.479 4.580 1.00 0.00 H new ATOM 55 N VAL A 5 3.578 10.817 5.132 1.00 0.00 N ATOM 56 CA VAL A 5 3.661 9.569 4.381 1.00 0.00 C ATOM 57 C VAL A 5 2.779 8.487 4.996 1.00 0.00 C ATOM 58 O VAL A 5 2.944 8.132 6.161 1.00 0.00 O ATOM 59 CB VAL A 5 5.115 9.056 4.316 1.00 0.00 C ATOM 60 CG1 VAL A 5 5.176 7.668 3.693 1.00 0.00 C ATOM 61 CG2 VAL A 5 5.990 10.031 3.546 1.00 0.00 C ATOM 0 H VAL A 5 3.871 10.744 6.106 1.00 0.00 H new ATOM 0 HA VAL A 5 3.307 9.784 3.373 1.00 0.00 H new ATOM 0 HB VAL A 5 5.495 8.983 5.335 1.00 0.00 H new ATOM 0 HG11 VAL A 5 6.212 7.330 3.659 1.00 0.00 H new ATOM 0 HG12 VAL A 5 4.587 6.974 4.292 1.00 0.00 H new ATOM 0 HG13 VAL A 5 4.773 7.705 2.681 1.00 0.00 H new ATOM 0 HG21 VAL A 5 7.012 9.653 3.510 1.00 0.00 H new ATOM 0 HG22 VAL A 5 5.608 10.140 2.531 1.00 0.00 H new ATOM 0 HG23 VAL A 5 5.979 11.001 4.044 1.00 0.00 H new ATOM 71 N ALA A 6 1.854 7.952 4.203 1.00 0.00 N ATOM 72 CA ALA A 6 0.982 6.876 4.664 1.00 0.00 C ATOM 73 C ALA A 6 1.562 5.529 4.251 1.00 0.00 C ATOM 74 O ALA A 6 2.506 5.477 3.466 1.00 0.00 O ATOM 75 CB ALA A 6 -0.422 7.048 4.104 1.00 0.00 C ATOM 0 H ALA A 6 1.689 8.246 3.240 1.00 0.00 H new ATOM 0 HA ALA A 6 0.919 6.915 5.752 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -1.057 6.236 4.459 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -0.832 8.002 4.437 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -0.384 7.029 3.015 1.00 0.00 H new ATOM 81 N THR A 7 1.020 4.440 4.793 1.00 0.00 N ATOM 82 CA THR A 7 1.523 3.114 4.452 1.00 0.00 C ATOM 83 C THR A 7 0.405 2.076 4.366 1.00 0.00 C ATOM 84 O THR A 7 -0.445 1.962 5.260 1.00 0.00 O ATOM 85 CB THR A 7 2.582 2.664 5.452 1.00 0.00 C ATOM 86 OG1 THR A 7 3.483 3.719 5.741 1.00 0.00 O ATOM 87 CG2 THR A 7 3.392 1.486 4.958 1.00 0.00 C ATOM 0 H THR A 7 0.247 4.449 5.458 1.00 0.00 H new ATOM 0 HA THR A 7 1.976 3.192 3.464 1.00 0.00 H new ATOM 0 HB THR A 7 2.035 2.365 6.346 1.00 0.00 H new ATOM 0 HG1 THR A 7 4.153 3.409 6.386 1.00 0.00 H new ATOM 0 HG21 THR A 7 4.130 1.210 5.711 1.00 0.00 H new ATOM 0 HG22 THR A 7 2.729 0.641 4.773 1.00 0.00 H new ATOM 0 HG23 THR A 7 3.902 1.757 4.033 1.00 0.00 H new ATOM 95 N ILE A 8 0.461 1.294 3.291 1.00 0.00 N ATOM 96 CA ILE A 8 -0.524 0.258 3.010 1.00 0.00 C ATOM 97 C ILE A 8 0.174 -1.090 2.779 1.00 0.00 C ATOM 98 O ILE A 8 0.859 -1.275 1.775 1.00 0.00 O ATOM 99 CB ILE A 8 -1.344 0.642 1.760 1.00 0.00 C ATOM 100 CG1 ILE A 8 -1.787 2.112 1.843 1.00 0.00 C ATOM 101 CG2 ILE A 8 -2.539 -0.274 1.593 1.00 0.00 C ATOM 102 CD1 ILE A 8 -3.035 2.343 2.675 1.00 0.00 C ATOM 0 H ILE A 8 1.196 1.363 2.587 1.00 0.00 H new ATOM 0 HA ILE A 8 -1.193 0.167 3.866 1.00 0.00 H new ATOM 0 HB ILE A 8 -0.709 0.522 0.882 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -0.971 2.702 2.261 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -1.964 2.483 0.834 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -3.100 0.018 0.705 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -2.196 -1.303 1.484 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -3.182 -0.197 2.470 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -3.277 3.406 2.681 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -3.867 1.784 2.246 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -2.859 2.006 3.696 1.00 0.00 H new ATOM 114 N LYS A 9 0.069 -1.995 3.757 1.00 0.00 N ATOM 115 CA LYS A 9 0.745 -3.299 3.687 1.00 0.00 C ATOM 116 C LYS A 9 -0.177 -4.398 3.165 1.00 0.00 C ATOM 117 O LYS A 9 -0.919 -5.012 3.928 1.00 0.00 O ATOM 118 CB LYS A 9 1.281 -3.695 5.062 1.00 0.00 C ATOM 119 CG LYS A 9 1.407 -2.536 6.042 1.00 0.00 C ATOM 120 CD LYS A 9 2.838 -2.050 6.162 1.00 0.00 C ATOM 121 CE LYS A 9 3.651 -2.932 7.095 1.00 0.00 C ATOM 122 NZ LYS A 9 5.015 -2.384 7.331 1.00 0.00 N ATOM 0 H LYS A 9 -0.477 -1.851 4.607 1.00 0.00 H new ATOM 0 HA LYS A 9 1.572 -3.192 2.985 1.00 0.00 H new ATOM 0 HB2 LYS A 9 0.623 -4.450 5.492 1.00 0.00 H new ATOM 0 HB3 LYS A 9 2.260 -4.159 4.938 1.00 0.00 H new ATOM 0 HG2 LYS A 9 0.771 -1.714 5.715 1.00 0.00 H new ATOM 0 HG3 LYS A 9 1.046 -2.848 7.022 1.00 0.00 H new ATOM 0 HD2 LYS A 9 3.302 -2.037 5.176 1.00 0.00 H new ATOM 0 HD3 LYS A 9 2.845 -1.025 6.531 1.00 0.00 H new ATOM 0 HE2 LYS A 9 3.130 -3.030 8.047 1.00 0.00 H new ATOM 0 HE3 LYS A 9 3.731 -3.933 6.670 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 5.687 -3.168 7.458 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 5.304 -1.809 6.514 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 5.008 -1.792 8.186 1.00 0.00 H new ATOM 136 N VAL A 10 -0.098 -4.668 1.871 1.00 0.00 N ATOM 137 CA VAL A 10 -0.968 -5.664 1.240 1.00 0.00 C ATOM 138 C VAL A 10 -0.309 -7.044 1.167 1.00 0.00 C ATOM 139 O VAL A 10 0.865 -7.163 0.818 1.00 0.00 O ATOM 140 CB VAL A 10 -1.410 -5.208 -0.178 1.00 0.00 C ATOM 141 CG1 VAL A 10 -1.189 -3.711 -0.355 1.00 0.00 C ATOM 142 CG2 VAL A 10 -0.695 -5.984 -1.276 1.00 0.00 C ATOM 0 H VAL A 10 0.557 -4.215 1.233 1.00 0.00 H new ATOM 0 HA VAL A 10 -1.851 -5.750 1.873 1.00 0.00 H new ATOM 0 HB VAL A 10 -2.475 -5.421 -0.267 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -1.505 -3.412 -1.355 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -1.772 -3.167 0.388 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -0.131 -3.481 -0.225 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -1.035 -5.632 -2.250 1.00 0.00 H new ATOM 0 HG22 VAL A 10 0.381 -5.830 -1.189 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -0.918 -7.046 -1.176 1.00 0.00 H new ATOM 152 N MET A 11 -1.075 -8.084 1.504 1.00 0.00 N ATOM 153 CA MET A 11 -0.569 -9.454 1.454 1.00 0.00 C ATOM 154 C MET A 11 -1.684 -10.452 1.095 1.00 0.00 C ATOM 155 O MET A 11 -2.662 -10.608 1.836 1.00 0.00 O ATOM 156 CB MET A 11 0.105 -9.828 2.792 1.00 0.00 C ATOM 157 CG MET A 11 -0.470 -11.054 3.493 1.00 0.00 C ATOM 158 SD MET A 11 0.719 -12.402 3.624 1.00 0.00 S ATOM 159 CE MET A 11 -0.369 -13.780 3.984 1.00 0.00 C ATOM 0 H MET A 11 -2.044 -8.003 1.813 1.00 0.00 H new ATOM 0 HA MET A 11 0.181 -9.509 0.665 1.00 0.00 H new ATOM 0 HB2 MET A 11 1.166 -9.999 2.610 1.00 0.00 H new ATOM 0 HB3 MET A 11 0.031 -8.976 3.468 1.00 0.00 H new ATOM 0 HG2 MET A 11 -0.805 -10.773 4.491 1.00 0.00 H new ATOM 0 HG3 MET A 11 -1.348 -11.401 2.948 1.00 0.00 H new ATOM 0 HE1 MET A 11 0.214 -14.609 4.386 1.00 0.00 H new ATOM 0 HE2 MET A 11 -1.115 -13.473 4.716 1.00 0.00 H new ATOM 0 HE3 MET A 11 -0.868 -14.098 3.069 1.00 0.00 H new ATOM 169 N PRO A 12 -1.537 -11.154 -0.046 1.00 0.00 N ATOM 170 CA PRO A 12 -2.503 -12.164 -0.501 1.00 0.00 C ATOM 171 C PRO A 12 -2.486 -13.406 0.380 1.00 0.00 C ATOM 172 O PRO A 12 -1.451 -14.053 0.542 1.00 0.00 O ATOM 173 CB PRO A 12 -2.031 -12.510 -1.924 1.00 0.00 C ATOM 174 CG PRO A 12 -1.086 -11.418 -2.286 1.00 0.00 C ATOM 175 CD PRO A 12 -0.433 -11.015 -0.998 1.00 0.00 C ATOM 0 HA PRO A 12 -3.527 -11.793 -0.462 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -1.541 -13.483 -1.953 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -2.869 -12.555 -2.619 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -0.348 -11.761 -3.011 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -1.611 -10.578 -2.740 1.00 0.00 H new ATOM 0 HD2 PRO A 12 0.408 -11.661 -0.746 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -0.051 -9.995 -1.035 1.00 0.00 H new ATOM 183 N GLU A 13 -3.632 -13.709 0.975 1.00 0.00 N ATOM 184 CA GLU A 13 -3.764 -14.866 1.851 1.00 0.00 C ATOM 185 C GLU A 13 -3.391 -16.150 1.122 1.00 0.00 C ATOM 186 O GLU A 13 -2.942 -17.118 1.736 1.00 0.00 O ATOM 187 CB GLU A 13 -5.191 -14.966 2.388 1.00 0.00 C ATOM 188 CG GLU A 13 -5.415 -14.176 3.667 1.00 0.00 C ATOM 189 CD GLU A 13 -6.770 -13.492 3.703 1.00 0.00 C ATOM 190 OE1 GLU A 13 -7.414 -13.392 2.638 1.00 0.00 O ATOM 191 OE2 GLU A 13 -7.185 -13.056 4.798 1.00 0.00 O ATOM 0 H GLU A 13 -4.489 -13.166 0.866 1.00 0.00 H new ATOM 0 HA GLU A 13 -3.077 -14.734 2.687 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -5.883 -14.611 1.625 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -5.429 -16.014 2.571 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -5.328 -14.845 4.523 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -4.631 -13.426 3.768 1.00 0.00 H new ATOM 198 N SER A 14 -3.599 -16.158 -0.189 1.00 0.00 N ATOM 199 CA SER A 14 -3.289 -17.326 -1.002 1.00 0.00 C ATOM 200 C SER A 14 -1.789 -17.425 -1.262 1.00 0.00 C ATOM 201 O SER A 14 -1.091 -16.411 -1.307 1.00 0.00 O ATOM 202 CB SER A 14 -4.048 -17.265 -2.329 1.00 0.00 C ATOM 203 OG SER A 14 -4.977 -18.330 -2.436 1.00 0.00 O ATOM 0 H SER A 14 -3.981 -15.369 -0.711 1.00 0.00 H new ATOM 0 HA SER A 14 -3.603 -18.214 -0.454 1.00 0.00 H new ATOM 0 HB2 SER A 14 -4.572 -16.312 -2.408 1.00 0.00 H new ATOM 0 HB3 SER A 14 -3.341 -17.310 -3.158 1.00 0.00 H new ATOM 0 HG SER A 14 -5.450 -18.267 -3.292 1.00 0.00 H new ATOM 209 N PRO A 15 -1.269 -18.654 -1.435 1.00 0.00 N ATOM 210 CA PRO A 15 0.157 -18.875 -1.696 1.00 0.00 C ATOM 211 C PRO A 15 0.585 -18.316 -3.048 1.00 0.00 C ATOM 212 O PRO A 15 1.771 -18.286 -3.372 1.00 0.00 O ATOM 213 CB PRO A 15 0.298 -20.399 -1.676 1.00 0.00 C ATOM 214 CG PRO A 15 -1.065 -20.912 -1.989 1.00 0.00 C ATOM 215 CD PRO A 15 -2.026 -19.919 -1.399 1.00 0.00 C ATOM 0 HA PRO A 15 0.788 -18.372 -0.964 1.00 0.00 H new ATOM 0 HB2 PRO A 15 1.027 -20.738 -2.412 1.00 0.00 H new ATOM 0 HB3 PRO A 15 0.640 -20.752 -0.703 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -1.210 -21.003 -3.065 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -1.217 -21.903 -1.562 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -2.946 -19.854 -1.981 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -2.310 -20.189 -0.382 1.00 0.00 H new ATOM 223 N ASP A 16 -0.394 -17.885 -3.838 1.00 0.00 N ATOM 224 CA ASP A 16 -0.123 -17.314 -5.150 1.00 0.00 C ATOM 225 C ASP A 16 0.029 -15.800 -5.056 1.00 0.00 C ATOM 226 O ASP A 16 -0.401 -15.066 -5.947 1.00 0.00 O ATOM 227 CB ASP A 16 -1.247 -17.667 -6.127 1.00 0.00 C ATOM 228 CG ASP A 16 -0.731 -17.944 -7.526 1.00 0.00 C ATOM 229 OD1 ASP A 16 -0.094 -18.999 -7.727 1.00 0.00 O ATOM 230 OD2 ASP A 16 -0.965 -17.105 -8.422 1.00 0.00 O ATOM 0 H ASP A 16 -1.383 -17.921 -3.590 1.00 0.00 H new ATOM 0 HA ASP A 16 0.812 -17.736 -5.519 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -1.782 -18.543 -5.760 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -1.964 -16.847 -6.163 1.00 0.00 H new ATOM 235 N VAL A 17 0.630 -15.340 -3.963 1.00 0.00 N ATOM 236 CA VAL A 17 0.835 -13.912 -3.750 1.00 0.00 C ATOM 237 C VAL A 17 1.846 -13.366 -4.763 1.00 0.00 C ATOM 238 O VAL A 17 3.058 -13.374 -4.540 1.00 0.00 O ATOM 239 CB VAL A 17 1.246 -13.591 -2.280 1.00 0.00 C ATOM 240 CG1 VAL A 17 1.757 -14.830 -1.573 1.00 0.00 C ATOM 241 CG2 VAL A 17 2.252 -12.446 -2.179 1.00 0.00 C ATOM 0 H VAL A 17 0.983 -15.934 -3.213 1.00 0.00 H new ATOM 0 HA VAL A 17 -0.116 -13.405 -3.914 1.00 0.00 H new ATOM 0 HB VAL A 17 0.342 -13.253 -1.774 1.00 0.00 H new ATOM 0 HG11 VAL A 17 2.036 -14.576 -0.550 1.00 0.00 H new ATOM 0 HG12 VAL A 17 0.975 -15.589 -1.558 1.00 0.00 H new ATOM 0 HG13 VAL A 17 2.628 -15.217 -2.101 1.00 0.00 H new ATOM 0 HG21 VAL A 17 2.499 -12.270 -1.132 1.00 0.00 H new ATOM 0 HG22 VAL A 17 3.158 -12.708 -2.726 1.00 0.00 H new ATOM 0 HG23 VAL A 17 1.818 -11.542 -2.606 1.00 0.00 H new ATOM 251 N ASP A 18 1.328 -12.997 -5.929 1.00 0.00 N ATOM 252 CA ASP A 18 2.147 -12.441 -7.000 1.00 0.00 C ATOM 253 C ASP A 18 2.643 -11.057 -6.617 1.00 0.00 C ATOM 254 O ASP A 18 1.879 -10.095 -6.608 1.00 0.00 O ATOM 255 CB ASP A 18 1.345 -12.375 -8.300 1.00 0.00 C ATOM 256 CG ASP A 18 1.162 -13.739 -8.936 1.00 0.00 C ATOM 257 OD1 ASP A 18 2.140 -14.514 -8.971 1.00 0.00 O ATOM 258 OD2 ASP A 18 0.039 -14.032 -9.399 1.00 0.00 O ATOM 0 H ASP A 18 0.337 -13.074 -6.158 1.00 0.00 H new ATOM 0 HA ASP A 18 3.008 -13.091 -7.154 1.00 0.00 H new ATOM 0 HB2 ASP A 18 0.367 -11.937 -8.099 1.00 0.00 H new ATOM 0 HB3 ASP A 18 1.852 -11.714 -9.003 1.00 0.00 H new ATOM 263 N LEU A 19 3.917 -10.977 -6.265 1.00 0.00 N ATOM 264 CA LEU A 19 4.519 -9.723 -5.840 1.00 0.00 C ATOM 265 C LEU A 19 4.452 -8.670 -6.938 1.00 0.00 C ATOM 266 O LEU A 19 3.961 -7.564 -6.716 1.00 0.00 O ATOM 267 CB LEU A 19 5.976 -9.958 -5.435 1.00 0.00 C ATOM 268 CG LEU A 19 6.440 -9.189 -4.199 1.00 0.00 C ATOM 269 CD1 LEU A 19 7.529 -9.960 -3.469 1.00 0.00 C ATOM 270 CD2 LEU A 19 6.933 -7.803 -4.588 1.00 0.00 C ATOM 0 H LEU A 19 4.557 -11.771 -6.266 1.00 0.00 H new ATOM 0 HA LEU A 19 3.954 -9.352 -4.984 1.00 0.00 H new ATOM 0 HB2 LEU A 19 6.119 -11.024 -5.255 1.00 0.00 H new ATOM 0 HB3 LEU A 19 6.618 -9.687 -6.274 1.00 0.00 H new ATOM 0 HG LEU A 19 5.591 -9.074 -3.525 1.00 0.00 H new ATOM 0 HD11 LEU A 19 7.847 -9.397 -2.591 1.00 0.00 H new ATOM 0 HD12 LEU A 19 7.141 -10.930 -3.157 1.00 0.00 H new ATOM 0 HD13 LEU A 19 8.380 -10.106 -4.135 1.00 0.00 H new ATOM 0 HD21 LEU A 19 7.260 -7.269 -3.696 1.00 0.00 H new ATOM 0 HD22 LEU A 19 7.769 -7.895 -5.282 1.00 0.00 H new ATOM 0 HD23 LEU A 19 6.124 -7.250 -5.066 1.00 0.00 H new ATOM 282 N GLU A 20 4.927 -9.023 -8.127 1.00 0.00 N ATOM 283 CA GLU A 20 4.958 -8.077 -9.238 1.00 0.00 C ATOM 284 C GLU A 20 3.559 -7.793 -9.759 1.00 0.00 C ATOM 285 O GLU A 20 3.266 -6.676 -10.185 1.00 0.00 O ATOM 286 CB GLU A 20 5.839 -8.598 -10.369 1.00 0.00 C ATOM 287 CG GLU A 20 5.287 -9.843 -11.043 1.00 0.00 C ATOM 288 CD GLU A 20 5.985 -10.158 -12.351 1.00 0.00 C ATOM 289 OE1 GLU A 20 7.234 -10.182 -12.367 1.00 0.00 O ATOM 290 OE2 GLU A 20 5.283 -10.378 -13.361 1.00 0.00 O ATOM 0 H GLU A 20 5.293 -9.949 -8.346 1.00 0.00 H new ATOM 0 HA GLU A 20 5.381 -7.145 -8.863 1.00 0.00 H new ATOM 0 HB2 GLU A 20 5.960 -7.813 -11.116 1.00 0.00 H new ATOM 0 HB3 GLU A 20 6.831 -8.818 -9.974 1.00 0.00 H new ATOM 0 HG2 GLU A 20 5.389 -10.692 -10.368 1.00 0.00 H new ATOM 0 HG3 GLU A 20 4.221 -9.709 -11.228 1.00 0.00 H new ATOM 297 N ALA A 21 2.691 -8.797 -9.731 1.00 0.00 N ATOM 298 CA ALA A 21 1.317 -8.591 -10.160 1.00 0.00 C ATOM 299 C ALA A 21 0.618 -7.678 -9.170 1.00 0.00 C ATOM 300 O ALA A 21 -0.196 -6.833 -9.541 1.00 0.00 O ATOM 301 CB ALA A 21 0.581 -9.913 -10.296 1.00 0.00 C ATOM 0 H ALA A 21 2.910 -9.744 -9.422 1.00 0.00 H new ATOM 0 HA ALA A 21 1.317 -8.121 -11.143 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -0.444 -9.728 -10.618 1.00 0.00 H new ATOM 0 HB2 ALA A 21 1.086 -10.536 -11.034 1.00 0.00 H new ATOM 0 HB3 ALA A 21 0.572 -10.425 -9.334 1.00 0.00 H new ATOM 307 N LEU A 22 0.979 -7.841 -7.904 1.00 0.00 N ATOM 308 CA LEU A 22 0.462 -6.997 -6.842 1.00 0.00 C ATOM 309 C LEU A 22 0.961 -5.576 -7.038 1.00 0.00 C ATOM 310 O LEU A 22 0.261 -4.609 -6.741 1.00 0.00 O ATOM 311 CB LEU A 22 0.911 -7.536 -5.477 1.00 0.00 C ATOM 312 CG LEU A 22 -0.063 -7.329 -4.306 1.00 0.00 C ATOM 313 CD1 LEU A 22 -1.479 -7.042 -4.794 1.00 0.00 C ATOM 314 CD2 LEU A 22 -0.056 -8.547 -3.401 1.00 0.00 C ATOM 0 H LEU A 22 1.633 -8.557 -7.589 1.00 0.00 H new ATOM 0 HA LEU A 22 -0.628 -7.000 -6.874 1.00 0.00 H new ATOM 0 HB2 LEU A 22 1.102 -8.604 -5.578 1.00 0.00 H new ATOM 0 HB3 LEU A 22 1.860 -7.066 -5.219 1.00 0.00 H new ATOM 0 HG LEU A 22 0.274 -6.459 -3.742 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -2.138 -6.902 -3.937 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -1.478 -6.138 -5.403 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -1.835 -7.881 -5.392 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -0.749 -8.390 -2.575 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -0.362 -9.425 -3.970 1.00 0.00 H new ATOM 0 HD23 LEU A 22 0.949 -8.702 -3.007 1.00 0.00 H new ATOM 326 N LYS A 23 2.176 -5.470 -7.563 1.00 0.00 N ATOM 327 CA LYS A 23 2.792 -4.183 -7.846 1.00 0.00 C ATOM 328 C LYS A 23 1.894 -3.363 -8.757 1.00 0.00 C ATOM 329 O LYS A 23 1.657 -2.179 -8.516 1.00 0.00 O ATOM 330 CB LYS A 23 4.152 -4.392 -8.519 1.00 0.00 C ATOM 331 CG LYS A 23 5.345 -4.108 -7.620 1.00 0.00 C ATOM 332 CD LYS A 23 5.944 -5.387 -7.062 1.00 0.00 C ATOM 333 CE LYS A 23 7.443 -5.253 -6.851 1.00 0.00 C ATOM 334 NZ LYS A 23 7.799 -3.964 -6.197 1.00 0.00 N ATOM 0 H LYS A 23 2.759 -6.272 -7.803 1.00 0.00 H new ATOM 0 HA LYS A 23 2.933 -3.648 -6.907 1.00 0.00 H new ATOM 0 HB2 LYS A 23 4.215 -5.421 -8.872 1.00 0.00 H new ATOM 0 HB3 LYS A 23 4.212 -3.749 -9.397 1.00 0.00 H new ATOM 0 HG2 LYS A 23 6.104 -3.566 -8.183 1.00 0.00 H new ATOM 0 HG3 LYS A 23 5.036 -3.462 -6.798 1.00 0.00 H new ATOM 0 HD2 LYS A 23 5.463 -5.633 -6.115 1.00 0.00 H new ATOM 0 HD3 LYS A 23 5.744 -6.212 -7.745 1.00 0.00 H new ATOM 0 HE2 LYS A 23 7.799 -6.081 -6.238 1.00 0.00 H new ATOM 0 HE3 LYS A 23 7.953 -5.325 -7.812 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 8.736 -4.047 -5.754 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 7.819 -3.207 -6.910 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 7.091 -3.737 -5.470 1.00 0.00 H new ATOM 348 N LYS A 24 1.396 -4.008 -9.805 1.00 0.00 N ATOM 349 CA LYS A 24 0.512 -3.348 -10.754 1.00 0.00 C ATOM 350 C LYS A 24 -0.808 -2.974 -10.091 1.00 0.00 C ATOM 351 O LYS A 24 -1.327 -1.876 -10.298 1.00 0.00 O ATOM 352 CB LYS A 24 0.251 -4.256 -11.959 1.00 0.00 C ATOM 353 CG LYS A 24 1.440 -5.125 -12.338 1.00 0.00 C ATOM 354 CD LYS A 24 1.411 -5.501 -13.811 1.00 0.00 C ATOM 355 CE LYS A 24 0.554 -6.732 -14.054 1.00 0.00 C ATOM 356 NZ LYS A 24 0.886 -7.396 -15.346 1.00 0.00 N ATOM 0 H LYS A 24 1.590 -4.987 -10.018 1.00 0.00 H new ATOM 0 HA LYS A 24 1.001 -2.436 -11.096 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -0.602 -4.898 -11.741 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -0.025 -3.639 -12.815 1.00 0.00 H new ATOM 0 HG2 LYS A 24 2.365 -4.594 -12.116 1.00 0.00 H new ATOM 0 HG3 LYS A 24 1.438 -6.030 -11.731 1.00 0.00 H new ATOM 0 HD2 LYS A 24 1.023 -4.665 -14.393 1.00 0.00 H new ATOM 0 HD3 LYS A 24 2.426 -5.688 -14.160 1.00 0.00 H new ATOM 0 HE2 LYS A 24 0.694 -7.439 -13.236 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -0.498 -6.448 -14.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 0.279 -8.231 -15.473 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 0.728 -6.730 -16.129 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 1.883 -7.691 -15.339 1.00 0.00 H new ATOM 370 N GLU A 25 -1.355 -3.899 -9.305 1.00 0.00 N ATOM 371 CA GLU A 25 -2.620 -3.660 -8.619 1.00 0.00 C ATOM 372 C GLU A 25 -2.465 -2.559 -7.579 1.00 0.00 C ATOM 373 O GLU A 25 -3.417 -1.861 -7.239 1.00 0.00 O ATOM 374 CB GLU A 25 -3.113 -4.944 -7.950 1.00 0.00 C ATOM 375 CG GLU A 25 -3.314 -6.097 -8.921 1.00 0.00 C ATOM 376 CD GLU A 25 -4.778 -6.393 -9.183 1.00 0.00 C ATOM 377 OE1 GLU A 25 -5.601 -5.460 -9.080 1.00 0.00 O ATOM 378 OE2 GLU A 25 -5.101 -7.560 -9.492 1.00 0.00 O ATOM 0 H GLU A 25 -0.944 -4.816 -9.129 1.00 0.00 H new ATOM 0 HA GLU A 25 -3.355 -3.342 -9.358 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -2.396 -5.244 -7.186 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -4.055 -4.740 -7.441 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -2.821 -5.863 -9.864 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -2.833 -6.990 -8.523 1.00 0.00 H new ATOM 385 N ILE A 26 -1.259 -2.429 -7.064 1.00 0.00 N ATOM 386 CA ILE A 26 -0.964 -1.428 -6.057 1.00 0.00 C ATOM 387 C ILE A 26 -1.193 -0.021 -6.593 1.00 0.00 C ATOM 388 O ILE A 26 -1.757 0.829 -5.909 1.00 0.00 O ATOM 389 CB ILE A 26 0.487 -1.563 -5.554 1.00 0.00 C ATOM 390 CG1 ILE A 26 0.528 -2.463 -4.319 1.00 0.00 C ATOM 391 CG2 ILE A 26 1.088 -0.199 -5.244 1.00 0.00 C ATOM 392 CD1 ILE A 26 1.755 -3.345 -4.256 1.00 0.00 C ATOM 0 H ILE A 26 -0.462 -3.008 -7.328 1.00 0.00 H new ATOM 0 HA ILE A 26 -1.645 -1.597 -5.223 1.00 0.00 H new ATOM 0 HB ILE A 26 1.086 -2.018 -6.343 1.00 0.00 H new ATOM 0 HG12 ILE A 26 0.491 -1.841 -3.425 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -0.363 -3.091 -4.307 1.00 0.00 H new ATOM 0 HG21 ILE A 26 2.112 -0.324 -4.891 1.00 0.00 H new ATOM 0 HG22 ILE A 26 1.087 0.412 -6.146 1.00 0.00 H new ATOM 0 HG23 ILE A 26 0.496 0.293 -4.472 1.00 0.00 H new ATOM 0 HD11 ILE A 26 1.718 -3.956 -3.354 1.00 0.00 H new ATOM 0 HD12 ILE A 26 1.783 -3.992 -5.132 1.00 0.00 H new ATOM 0 HD13 ILE A 26 2.650 -2.723 -4.236 1.00 0.00 H new ATOM 404 N GLN A 27 -0.688 0.237 -7.790 1.00 0.00 N ATOM 405 CA GLN A 27 -0.805 1.557 -8.390 1.00 0.00 C ATOM 406 C GLN A 27 -2.258 1.917 -8.653 1.00 0.00 C ATOM 407 O GLN A 27 -2.643 3.083 -8.564 1.00 0.00 O ATOM 408 CB GLN A 27 -0.001 1.626 -9.686 1.00 0.00 C ATOM 409 CG GLN A 27 1.382 0.997 -9.589 1.00 0.00 C ATOM 410 CD GLN A 27 2.049 1.196 -8.240 1.00 0.00 C ATOM 411 OE1 GLN A 27 2.685 0.286 -7.712 1.00 0.00 O ATOM 412 NE2 GLN A 27 1.935 2.400 -7.691 1.00 0.00 N ATOM 0 H GLN A 27 -0.195 -0.448 -8.363 1.00 0.00 H new ATOM 0 HA GLN A 27 -0.401 2.282 -7.684 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -0.561 1.127 -10.477 1.00 0.00 H new ATOM 0 HB3 GLN A 27 0.105 2.670 -9.981 1.00 0.00 H new ATOM 0 HG2 GLN A 27 1.301 -0.071 -9.790 1.00 0.00 H new ATOM 0 HG3 GLN A 27 2.019 1.420 -10.366 1.00 0.00 H new ATOM 0 HE21 GLN A 27 1.398 3.127 -8.163 1.00 0.00 H new ATOM 0 HE22 GLN A 27 2.385 2.598 -6.797 1.00 0.00 H new ATOM 421 N GLU A 28 -3.055 0.920 -9.017 1.00 0.00 N ATOM 422 CA GLU A 28 -4.467 1.153 -9.293 1.00 0.00 C ATOM 423 C GLU A 28 -5.253 1.314 -7.997 1.00 0.00 C ATOM 424 O GLU A 28 -6.336 1.898 -7.985 1.00 0.00 O ATOM 425 CB GLU A 28 -5.048 0.028 -10.137 1.00 0.00 C ATOM 426 CG GLU A 28 -5.179 -1.284 -9.403 1.00 0.00 C ATOM 427 CD GLU A 28 -6.594 -1.557 -8.934 1.00 0.00 C ATOM 428 OE1 GLU A 28 -7.520 -1.485 -9.768 1.00 0.00 O ATOM 429 OE2 GLU A 28 -6.776 -1.842 -7.731 1.00 0.00 O ATOM 0 H GLU A 28 -2.752 -0.048 -9.127 1.00 0.00 H new ATOM 0 HA GLU A 28 -4.550 2.080 -9.860 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -6.031 0.330 -10.500 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -4.416 -0.119 -11.013 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -4.855 -2.094 -10.056 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -4.510 -1.282 -8.542 1.00 0.00 H new ATOM 436 N ARG A 29 -4.695 0.799 -6.909 1.00 0.00 N ATOM 437 CA ARG A 29 -5.335 0.899 -5.604 1.00 0.00 C ATOM 438 C ARG A 29 -4.892 2.167 -4.879 1.00 0.00 C ATOM 439 O ARG A 29 -5.505 2.577 -3.894 1.00 0.00 O ATOM 440 CB ARG A 29 -5.023 -0.335 -4.760 1.00 0.00 C ATOM 441 CG ARG A 29 -3.684 -0.269 -4.054 1.00 0.00 C ATOM 442 CD ARG A 29 -3.829 -0.432 -2.549 1.00 0.00 C ATOM 443 NE ARG A 29 -3.447 0.785 -1.836 1.00 0.00 N ATOM 444 CZ ARG A 29 -2.220 1.303 -1.859 1.00 0.00 C ATOM 445 NH1 ARG A 29 -1.254 0.703 -2.541 1.00 0.00 N ATOM 446 NH2 ARG A 29 -1.959 2.419 -1.195 1.00 0.00 N ATOM 0 H ARG A 29 -3.801 0.308 -6.904 1.00 0.00 H new ATOM 0 HA ARG A 29 -6.413 0.952 -5.756 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -5.810 -0.464 -4.016 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -5.043 -1.217 -5.401 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -3.030 -1.049 -4.442 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -3.205 0.686 -4.272 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -4.861 -0.687 -2.308 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -3.209 -1.262 -2.211 1.00 0.00 H new ATOM 0 HE ARG A 29 -4.161 1.266 -1.289 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -1.449 -0.159 -3.051 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -0.316 1.103 -2.556 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -2.698 2.882 -0.666 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -1.019 2.815 -1.213 1.00 0.00 H new ATOM 460 N ILE A 30 -3.814 2.779 -5.369 1.00 0.00 N ATOM 461 CA ILE A 30 -3.288 4.002 -4.768 1.00 0.00 C ATOM 462 C ILE A 30 -4.341 5.111 -4.773 1.00 0.00 C ATOM 463 O ILE A 30 -5.050 5.294 -5.764 1.00 0.00 O ATOM 464 CB ILE A 30 -2.022 4.497 -5.507 1.00 0.00 C ATOM 465 CG1 ILE A 30 -0.840 3.569 -5.213 1.00 0.00 C ATOM 466 CG2 ILE A 30 -1.688 5.936 -5.120 1.00 0.00 C ATOM 467 CD1 ILE A 30 -0.295 3.688 -3.804 1.00 0.00 C ATOM 0 H ILE A 30 -3.290 2.448 -6.179 1.00 0.00 H new ATOM 0 HA ILE A 30 -3.022 3.762 -3.738 1.00 0.00 H new ATOM 0 HB ILE A 30 -2.222 4.478 -6.578 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -1.150 2.538 -5.385 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -0.039 3.784 -5.920 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -0.794 6.258 -5.654 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -2.522 6.586 -5.383 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -1.509 5.992 -4.046 1.00 0.00 H new ATOM 0 HD11 ILE A 30 0.539 2.998 -3.677 1.00 0.00 H new ATOM 0 HD12 ILE A 30 0.048 4.708 -3.632 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -1.080 3.443 -3.088 1.00 0.00 H new ATOM 479 N PRO A 31 -4.450 5.876 -3.670 1.00 0.00 N ATOM 480 CA PRO A 31 -5.409 6.979 -3.558 1.00 0.00 C ATOM 481 C PRO A 31 -5.342 7.929 -4.752 1.00 0.00 C ATOM 482 O PRO A 31 -4.314 8.556 -5.005 1.00 0.00 O ATOM 483 CB PRO A 31 -4.987 7.704 -2.270 1.00 0.00 C ATOM 484 CG PRO A 31 -3.656 7.136 -1.903 1.00 0.00 C ATOM 485 CD PRO A 31 -3.649 5.741 -2.446 1.00 0.00 C ATOM 0 HA PRO A 31 -6.437 6.618 -3.537 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -4.923 8.780 -2.430 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -5.714 7.543 -1.474 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -2.846 7.727 -2.331 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -3.514 7.136 -0.822 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -2.638 5.393 -2.658 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -4.091 5.031 -1.747 1.00 0.00 H new ATOM 493 N GLU A 32 -6.447 8.012 -5.493 1.00 0.00 N ATOM 494 CA GLU A 32 -6.533 8.872 -6.671 1.00 0.00 C ATOM 495 C GLU A 32 -6.273 10.340 -6.334 1.00 0.00 C ATOM 496 O GLU A 32 -6.271 11.193 -7.222 1.00 0.00 O ATOM 497 CB GLU A 32 -7.912 8.732 -7.322 1.00 0.00 C ATOM 498 CG GLU A 32 -8.007 7.574 -8.303 1.00 0.00 C ATOM 499 CD GLU A 32 -9.331 7.543 -9.040 1.00 0.00 C ATOM 500 OE1 GLU A 32 -10.382 7.680 -8.380 1.00 0.00 O ATOM 501 OE2 GLU A 32 -9.318 7.381 -10.279 1.00 0.00 O ATOM 0 H GLU A 32 -7.300 7.489 -5.295 1.00 0.00 H new ATOM 0 HA GLU A 32 -5.758 8.548 -7.366 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -8.661 8.599 -6.542 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -8.155 9.659 -7.842 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -7.194 7.647 -9.026 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -7.872 6.635 -7.766 1.00 0.00 H new ATOM 508 N GLY A 33 -6.055 10.634 -5.055 1.00 0.00 N ATOM 509 CA GLY A 33 -5.820 12.006 -4.641 1.00 0.00 C ATOM 510 C GLY A 33 -4.378 12.439 -4.832 1.00 0.00 C ATOM 511 O GLY A 33 -4.106 13.416 -5.528 1.00 0.00 O ATOM 0 H GLY A 33 -6.037 9.948 -4.300 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -6.472 12.669 -5.210 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -6.091 12.115 -3.591 1.00 0.00 H new ATOM 515 N THR A 34 -3.454 11.713 -4.211 1.00 0.00 N ATOM 516 CA THR A 34 -2.036 12.038 -4.313 1.00 0.00 C ATOM 517 C THR A 34 -1.292 10.995 -5.146 1.00 0.00 C ATOM 518 O THR A 34 -1.820 10.488 -6.135 1.00 0.00 O ATOM 519 CB THR A 34 -1.419 12.145 -2.916 1.00 0.00 C ATOM 520 OG1 THR A 34 -2.410 12.462 -1.955 1.00 0.00 O ATOM 521 CG2 THR A 34 -0.331 13.192 -2.822 1.00 0.00 C ATOM 0 H THR A 34 -3.661 10.898 -3.633 1.00 0.00 H new ATOM 0 HA THR A 34 -1.941 13.000 -4.817 1.00 0.00 H new ATOM 0 HB THR A 34 -0.976 11.169 -2.718 1.00 0.00 H new ATOM 0 HG1 THR A 34 -2.047 13.106 -1.311 1.00 0.00 H new ATOM 0 HG21 THR A 34 0.064 13.216 -1.806 1.00 0.00 H new ATOM 0 HG22 THR A 34 0.472 12.946 -3.517 1.00 0.00 H new ATOM 0 HG23 THR A 34 -0.743 14.169 -3.074 1.00 0.00 H new ATOM 529 N GLU A 35 -0.062 10.681 -4.742 1.00 0.00 N ATOM 530 CA GLU A 35 0.755 9.709 -5.460 1.00 0.00 C ATOM 531 C GLU A 35 1.438 8.756 -4.489 1.00 0.00 C ATOM 532 O GLU A 35 1.422 8.969 -3.277 1.00 0.00 O ATOM 533 CB GLU A 35 1.804 10.426 -6.310 1.00 0.00 C ATOM 534 CG GLU A 35 1.275 10.910 -7.650 1.00 0.00 C ATOM 535 CD GLU A 35 2.331 10.884 -8.738 1.00 0.00 C ATOM 536 OE1 GLU A 35 2.935 9.813 -8.954 1.00 0.00 O ATOM 537 OE2 GLU A 35 2.555 11.936 -9.373 1.00 0.00 O ATOM 0 H GLU A 35 0.389 11.086 -3.922 1.00 0.00 H new ATOM 0 HA GLU A 35 0.102 9.130 -6.113 1.00 0.00 H new ATOM 0 HB2 GLU A 35 2.190 11.279 -5.752 1.00 0.00 H new ATOM 0 HB3 GLU A 35 2.643 9.751 -6.482 1.00 0.00 H new ATOM 0 HG2 GLU A 35 0.433 10.286 -7.951 1.00 0.00 H new ATOM 0 HG3 GLU A 35 0.896 11.926 -7.541 1.00 0.00 H new ATOM 544 N LEU A 36 2.040 7.706 -5.033 1.00 0.00 N ATOM 545 CA LEU A 36 2.719 6.709 -4.215 1.00 0.00 C ATOM 546 C LEU A 36 4.057 7.238 -3.703 1.00 0.00 C ATOM 547 O LEU A 36 4.414 8.391 -3.943 1.00 0.00 O ATOM 548 CB LEU A 36 2.938 5.422 -5.017 1.00 0.00 C ATOM 549 CG LEU A 36 3.494 5.620 -6.431 1.00 0.00 C ATOM 550 CD1 LEU A 36 4.685 4.705 -6.666 1.00 0.00 C ATOM 551 CD2 LEU A 36 2.412 5.370 -7.471 1.00 0.00 C ATOM 0 H LEU A 36 2.072 7.523 -6.036 1.00 0.00 H new ATOM 0 HA LEU A 36 2.085 6.491 -3.356 1.00 0.00 H new ATOM 0 HB2 LEU A 36 3.621 4.779 -4.462 1.00 0.00 H new ATOM 0 HB3 LEU A 36 1.988 4.892 -5.088 1.00 0.00 H new ATOM 0 HG LEU A 36 3.829 6.653 -6.529 1.00 0.00 H new ATOM 0 HD11 LEU A 36 5.068 4.858 -7.675 1.00 0.00 H new ATOM 0 HD12 LEU A 36 5.468 4.933 -5.942 1.00 0.00 H new ATOM 0 HD13 LEU A 36 4.375 3.667 -6.549 1.00 0.00 H new ATOM 0 HD21 LEU A 36 2.826 5.515 -8.469 1.00 0.00 H new ATOM 0 HD22 LEU A 36 2.045 4.348 -7.376 1.00 0.00 H new ATOM 0 HD23 LEU A 36 1.589 6.067 -7.314 1.00 0.00 H new ATOM 563 N HIS A 37 4.777 6.392 -2.972 1.00 0.00 N ATOM 564 CA HIS A 37 6.071 6.761 -2.409 1.00 0.00 C ATOM 565 C HIS A 37 7.117 5.700 -2.711 1.00 0.00 C ATOM 566 O HIS A 37 7.954 5.859 -3.599 1.00 0.00 O ATOM 567 CB HIS A 37 5.949 6.930 -0.897 1.00 0.00 C ATOM 568 CG HIS A 37 7.236 7.287 -0.221 1.00 0.00 C ATOM 569 ND1 HIS A 37 7.748 8.562 -0.273 1.00 0.00 N ATOM 570 CD2 HIS A 37 8.072 6.504 0.506 1.00 0.00 C ATOM 571 CE1 HIS A 37 8.875 8.529 0.417 1.00 0.00 C ATOM 572 NE2 HIS A 37 9.111 7.304 0.906 1.00 0.00 N ATOM 0 H HIS A 37 4.483 5.440 -2.755 1.00 0.00 H new ATOM 0 HA HIS A 37 6.383 7.701 -2.863 1.00 0.00 H new ATOM 0 HB2 HIS A 37 5.212 7.705 -0.686 1.00 0.00 H new ATOM 0 HB3 HIS A 37 5.569 6.003 -0.467 1.00 0.00 H new ATOM 0 HD2 HIS A 37 7.944 5.455 0.727 1.00 0.00 H new ATOM 0 HE1 HIS A 37 9.523 9.380 0.567 1.00 0.00 H new ATOM 0 HE2 HIS A 37 9.912 7.020 1.470 1.00 0.00 H new ATOM 580 N LYS A 38 7.042 4.610 -1.960 1.00 0.00 N ATOM 581 CA LYS A 38 7.978 3.506 -2.098 1.00 0.00 C ATOM 582 C LYS A 38 7.428 2.270 -1.389 1.00 0.00 C ATOM 583 O LYS A 38 6.965 2.351 -0.250 1.00 0.00 O ATOM 584 CB LYS A 38 9.346 3.910 -1.528 1.00 0.00 C ATOM 585 CG LYS A 38 9.985 2.876 -0.613 1.00 0.00 C ATOM 586 CD LYS A 38 10.652 1.765 -1.408 1.00 0.00 C ATOM 587 CE LYS A 38 11.658 1.002 -0.564 1.00 0.00 C ATOM 588 NZ LYS A 38 13.051 1.179 -1.063 1.00 0.00 N ATOM 0 H LYS A 38 6.333 4.467 -1.241 1.00 0.00 H new ATOM 0 HA LYS A 38 8.106 3.264 -3.153 1.00 0.00 H new ATOM 0 HB2 LYS A 38 10.025 4.110 -2.357 1.00 0.00 H new ATOM 0 HB3 LYS A 38 9.233 4.843 -0.976 1.00 0.00 H new ATOM 0 HG2 LYS A 38 10.723 3.361 0.026 1.00 0.00 H new ATOM 0 HG3 LYS A 38 9.226 2.450 0.043 1.00 0.00 H new ATOM 0 HD2 LYS A 38 9.893 1.077 -1.781 1.00 0.00 H new ATOM 0 HD3 LYS A 38 11.153 2.189 -2.278 1.00 0.00 H new ATOM 0 HE2 LYS A 38 11.597 1.342 0.470 1.00 0.00 H new ATOM 0 HE3 LYS A 38 11.404 -0.058 -0.566 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 13.707 0.642 -0.460 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 13.116 0.831 -2.041 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 13.304 2.188 -1.037 1.00 0.00 H new ATOM 602 N ILE A 39 7.440 1.139 -2.086 1.00 0.00 N ATOM 603 CA ILE A 39 6.885 -0.097 -1.544 1.00 0.00 C ATOM 604 C ILE A 39 7.943 -0.940 -0.837 1.00 0.00 C ATOM 605 O ILE A 39 9.138 -0.804 -1.094 1.00 0.00 O ATOM 606 CB ILE A 39 6.219 -0.935 -2.645 1.00 0.00 C ATOM 607 CG1 ILE A 39 5.436 -0.019 -3.595 1.00 0.00 C ATOM 608 CG2 ILE A 39 5.307 -1.978 -2.017 1.00 0.00 C ATOM 609 CD1 ILE A 39 4.459 -0.746 -4.494 1.00 0.00 C ATOM 0 H ILE A 39 7.827 1.052 -3.026 1.00 0.00 H new ATOM 0 HA ILE A 39 6.134 0.197 -0.810 1.00 0.00 H new ATOM 0 HB ILE A 39 6.984 -1.452 -3.223 1.00 0.00 H new ATOM 0 HG12 ILE A 39 4.890 0.717 -3.004 1.00 0.00 H new ATOM 0 HG13 ILE A 39 6.143 0.531 -4.216 1.00 0.00 H new ATOM 0 HG21 ILE A 39 4.837 -2.570 -2.802 1.00 0.00 H new ATOM 0 HG22 ILE A 39 5.893 -2.632 -1.371 1.00 0.00 H new ATOM 0 HG23 ILE A 39 4.537 -1.480 -1.427 1.00 0.00 H new ATOM 0 HD11 ILE A 39 3.948 -0.026 -5.133 1.00 0.00 H new ATOM 0 HD12 ILE A 39 4.998 -1.462 -5.114 1.00 0.00 H new ATOM 0 HD13 ILE A 39 3.726 -1.274 -3.884 1.00 0.00 H new ATOM 621 N ASP A 40 7.485 -1.816 0.056 1.00 0.00 N ATOM 622 CA ASP A 40 8.379 -2.676 0.823 1.00 0.00 C ATOM 623 C ASP A 40 8.014 -4.147 0.656 1.00 0.00 C ATOM 624 O ASP A 40 6.946 -4.578 1.079 1.00 0.00 O ATOM 625 CB ASP A 40 8.305 -2.311 2.303 1.00 0.00 C ATOM 626 CG ASP A 40 9.673 -2.236 2.953 1.00 0.00 C ATOM 627 OD1 ASP A 40 10.477 -3.172 2.752 1.00 0.00 O ATOM 628 OD2 ASP A 40 9.940 -1.244 3.661 1.00 0.00 O ATOM 0 H ASP A 40 6.495 -1.948 0.265 1.00 0.00 H new ATOM 0 HA ASP A 40 9.391 -2.523 0.447 1.00 0.00 H new ATOM 0 HB2 ASP A 40 7.802 -1.350 2.412 1.00 0.00 H new ATOM 0 HB3 ASP A 40 7.698 -3.050 2.826 1.00 0.00 H new ATOM 633 N GLU A 41 8.930 -4.926 0.092 1.00 0.00 N ATOM 634 CA GLU A 41 8.701 -6.354 -0.089 1.00 0.00 C ATOM 635 C GLU A 41 9.025 -7.115 1.195 1.00 0.00 C ATOM 636 O GLU A 41 10.029 -7.824 1.275 1.00 0.00 O ATOM 637 CB GLU A 41 9.552 -6.887 -1.245 1.00 0.00 C ATOM 638 CG GLU A 41 9.440 -6.057 -2.514 1.00 0.00 C ATOM 639 CD GLU A 41 10.787 -5.798 -3.162 1.00 0.00 C ATOM 640 OE1 GLU A 41 11.724 -5.391 -2.442 1.00 0.00 O ATOM 641 OE2 GLU A 41 10.905 -6.002 -4.388 1.00 0.00 O ATOM 0 H GLU A 41 9.834 -4.595 -0.246 1.00 0.00 H new ATOM 0 HA GLU A 41 7.648 -6.506 -0.328 1.00 0.00 H new ATOM 0 HB2 GLU A 41 10.596 -6.919 -0.932 1.00 0.00 H new ATOM 0 HB3 GLU A 41 9.253 -7.912 -1.463 1.00 0.00 H new ATOM 0 HG2 GLU A 41 8.792 -6.571 -3.224 1.00 0.00 H new ATOM 0 HG3 GLU A 41 8.964 -5.105 -2.280 1.00 0.00 H new ATOM 648 N GLU A 42 8.177 -6.942 2.206 1.00 0.00 N ATOM 649 CA GLU A 42 8.360 -7.613 3.490 1.00 0.00 C ATOM 650 C GLU A 42 7.534 -8.892 3.542 1.00 0.00 C ATOM 651 O GLU A 42 6.382 -8.901 3.125 1.00 0.00 O ATOM 652 CB GLU A 42 7.959 -6.685 4.638 1.00 0.00 C ATOM 653 CG GLU A 42 9.143 -6.136 5.414 1.00 0.00 C ATOM 654 CD GLU A 42 8.798 -5.812 6.854 1.00 0.00 C ATOM 655 OE1 GLU A 42 8.453 -6.746 7.609 1.00 0.00 O ATOM 656 OE2 GLU A 42 8.870 -4.622 7.228 1.00 0.00 O ATOM 0 H GLU A 42 7.354 -6.341 2.160 1.00 0.00 H new ATOM 0 HA GLU A 42 9.414 -7.870 3.597 1.00 0.00 H new ATOM 0 HB2 GLU A 42 7.380 -5.853 4.237 1.00 0.00 H new ATOM 0 HB3 GLU A 42 7.306 -7.227 5.322 1.00 0.00 H new ATOM 0 HG2 GLU A 42 9.954 -6.863 5.394 1.00 0.00 H new ATOM 0 HG3 GLU A 42 9.510 -5.236 4.921 1.00 0.00 H new ATOM 663 N PRO A 43 8.113 -9.997 4.038 1.00 0.00 N ATOM 664 CA PRO A 43 7.427 -11.280 4.094 1.00 0.00 C ATOM 665 C PRO A 43 6.586 -11.448 5.350 1.00 0.00 C ATOM 666 O PRO A 43 6.812 -10.783 6.362 1.00 0.00 O ATOM 667 CB PRO A 43 8.572 -12.288 4.060 1.00 0.00 C ATOM 668 CG PRO A 43 9.762 -11.574 4.625 1.00 0.00 C ATOM 669 CD PRO A 43 9.484 -10.088 4.557 1.00 0.00 C ATOM 0 HA PRO A 43 6.714 -11.397 3.278 1.00 0.00 H new ATOM 0 HB2 PRO A 43 8.331 -13.173 4.649 1.00 0.00 H new ATOM 0 HB3 PRO A 43 8.766 -12.625 3.042 1.00 0.00 H new ATOM 0 HG2 PRO A 43 9.939 -11.883 5.655 1.00 0.00 H new ATOM 0 HG3 PRO A 43 10.660 -11.821 4.059 1.00 0.00 H new ATOM 0 HD2 PRO A 43 9.569 -9.622 5.539 1.00 0.00 H new ATOM 0 HD3 PRO A 43 10.192 -9.581 3.901 1.00 0.00 H new ATOM 677 N ILE A 44 5.593 -12.324 5.258 1.00 0.00 N ATOM 678 CA ILE A 44 4.661 -12.554 6.353 1.00 0.00 C ATOM 679 C ILE A 44 4.598 -14.030 6.731 1.00 0.00 C ATOM 680 O ILE A 44 5.252 -14.465 7.678 1.00 0.00 O ATOM 681 CB ILE A 44 3.251 -12.065 5.968 1.00 0.00 C ATOM 682 CG1 ILE A 44 3.357 -10.861 5.021 1.00 0.00 C ATOM 683 CG2 ILE A 44 2.447 -11.714 7.213 1.00 0.00 C ATOM 684 CD1 ILE A 44 3.963 -9.629 5.666 1.00 0.00 C ATOM 0 H ILE A 44 5.412 -12.890 4.429 1.00 0.00 H new ATOM 0 HA ILE A 44 5.022 -11.991 7.214 1.00 0.00 H new ATOM 0 HB ILE A 44 2.726 -12.867 5.450 1.00 0.00 H new ATOM 0 HG12 ILE A 44 3.960 -11.142 4.157 1.00 0.00 H new ATOM 0 HG13 ILE A 44 2.363 -10.614 4.649 1.00 0.00 H new ATOM 0 HG21 ILE A 44 1.455 -11.371 6.921 1.00 0.00 H new ATOM 0 HG22 ILE A 44 2.354 -12.596 7.847 1.00 0.00 H new ATOM 0 HG23 ILE A 44 2.956 -10.924 7.764 1.00 0.00 H new ATOM 0 HD11 ILE A 44 4.006 -8.820 4.937 1.00 0.00 H new ATOM 0 HD12 ILE A 44 3.349 -9.322 6.513 1.00 0.00 H new ATOM 0 HD13 ILE A 44 4.971 -9.858 6.013 1.00 0.00 H new ATOM 696 N ALA A 45 3.797 -14.792 5.991 1.00 0.00 N ATOM 697 CA ALA A 45 3.649 -16.221 6.245 1.00 0.00 C ATOM 698 C ALA A 45 4.946 -16.969 5.939 1.00 0.00 C ATOM 699 O ALA A 45 6.037 -16.411 6.054 1.00 0.00 O ATOM 700 CB ALA A 45 2.497 -16.782 5.424 1.00 0.00 C ATOM 0 H ALA A 45 3.241 -14.443 5.211 1.00 0.00 H new ATOM 0 HA ALA A 45 3.425 -16.361 7.303 1.00 0.00 H new ATOM 0 HB1 ALA A 45 2.395 -17.849 5.621 1.00 0.00 H new ATOM 0 HB2 ALA A 45 1.573 -16.273 5.698 1.00 0.00 H new ATOM 0 HB3 ALA A 45 2.696 -16.626 4.364 1.00 0.00 H new ATOM 706 N PHE A 46 4.823 -18.233 5.542 1.00 0.00 N ATOM 707 CA PHE A 46 5.988 -19.045 5.216 1.00 0.00 C ATOM 708 C PHE A 46 6.608 -18.593 3.899 1.00 0.00 C ATOM 709 O PHE A 46 7.822 -18.684 3.708 1.00 0.00 O ATOM 710 CB PHE A 46 5.602 -20.525 5.140 1.00 0.00 C ATOM 711 CG PHE A 46 4.657 -20.854 4.018 1.00 0.00 C ATOM 712 CD1 PHE A 46 3.290 -20.689 4.176 1.00 0.00 C ATOM 713 CD2 PHE A 46 5.135 -21.342 2.812 1.00 0.00 C ATOM 714 CE1 PHE A 46 2.418 -20.996 3.147 1.00 0.00 C ATOM 715 CE2 PHE A 46 4.268 -21.651 1.781 1.00 0.00 C ATOM 716 CZ PHE A 46 2.909 -21.478 1.949 1.00 0.00 C ATOM 0 H PHE A 46 3.930 -18.715 5.439 1.00 0.00 H new ATOM 0 HA PHE A 46 6.727 -18.916 6.007 1.00 0.00 H new ATOM 0 HB2 PHE A 46 6.508 -21.121 5.025 1.00 0.00 H new ATOM 0 HB3 PHE A 46 5.145 -20.820 6.085 1.00 0.00 H new ATOM 0 HD1 PHE A 46 2.901 -20.317 5.112 1.00 0.00 H new ATOM 0 HD2 PHE A 46 6.197 -21.482 2.676 1.00 0.00 H new ATOM 0 HE1 PHE A 46 1.355 -20.859 3.280 1.00 0.00 H new ATOM 0 HE2 PHE A 46 4.653 -22.027 0.845 1.00 0.00 H new ATOM 0 HZ PHE A 46 2.230 -21.719 1.145 1.00 0.00 H new ATOM 726 N GLY A 47 5.771 -18.081 3.004 1.00 0.00 N ATOM 727 CA GLY A 47 6.251 -17.613 1.718 1.00 0.00 C ATOM 728 C GLY A 47 5.399 -16.496 1.143 1.00 0.00 C ATOM 729 O GLY A 47 5.622 -16.058 0.014 1.00 0.00 O ATOM 0 H GLY A 47 4.766 -17.982 3.147 1.00 0.00 H new ATOM 0 HA2 GLY A 47 7.278 -17.263 1.824 1.00 0.00 H new ATOM 0 HA3 GLY A 47 6.270 -18.447 1.017 1.00 0.00 H new ATOM 733 N LEU A 48 4.418 -16.036 1.917 1.00 0.00 N ATOM 734 CA LEU A 48 3.535 -14.962 1.472 1.00 0.00 C ATOM 735 C LEU A 48 4.084 -13.602 1.893 1.00 0.00 C ATOM 736 O LEU A 48 3.976 -13.209 3.054 1.00 0.00 O ATOM 737 CB LEU A 48 2.119 -15.165 2.026 1.00 0.00 C ATOM 738 CG LEU A 48 1.602 -16.612 2.016 1.00 0.00 C ATOM 739 CD1 LEU A 48 0.087 -16.637 2.168 1.00 0.00 C ATOM 740 CD2 LEU A 48 2.016 -17.336 0.742 1.00 0.00 C ATOM 0 H LEU A 48 4.216 -16.389 2.852 1.00 0.00 H new ATOM 0 HA LEU A 48 3.487 -14.989 0.383 1.00 0.00 H new ATOM 0 HB2 LEU A 48 2.093 -14.796 3.051 1.00 0.00 H new ATOM 0 HB3 LEU A 48 1.431 -14.548 1.448 1.00 0.00 H new ATOM 0 HG LEU A 48 2.050 -17.133 2.862 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -0.263 -17.669 2.159 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -0.192 -16.168 3.112 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -0.371 -16.092 1.343 1.00 0.00 H new ATOM 0 HD21 LEU A 48 1.636 -18.357 0.764 1.00 0.00 H new ATOM 0 HD22 LEU A 48 1.606 -16.814 -0.123 1.00 0.00 H new ATOM 0 HD23 LEU A 48 3.104 -17.355 0.671 1.00 0.00 H new ATOM 752 N VAL A 49 4.676 -12.893 0.937 1.00 0.00 N ATOM 753 CA VAL A 49 5.288 -11.597 1.202 1.00 0.00 C ATOM 754 C VAL A 49 4.322 -10.442 0.941 1.00 0.00 C ATOM 755 O VAL A 49 3.712 -10.355 -0.124 1.00 0.00 O ATOM 756 CB VAL A 49 6.549 -11.400 0.335 1.00 0.00 C ATOM 757 CG1 VAL A 49 7.098 -9.985 0.472 1.00 0.00 C ATOM 758 CG2 VAL A 49 7.609 -12.427 0.697 1.00 0.00 C ATOM 0 H VAL A 49 4.745 -13.197 -0.034 1.00 0.00 H new ATOM 0 HA VAL A 49 5.559 -11.590 2.258 1.00 0.00 H new ATOM 0 HB VAL A 49 6.267 -11.546 -0.708 1.00 0.00 H new ATOM 0 HG11 VAL A 49 7.986 -9.877 -0.151 1.00 0.00 H new ATOM 0 HG12 VAL A 49 6.341 -9.269 0.152 1.00 0.00 H new ATOM 0 HG13 VAL A 49 7.360 -9.795 1.513 1.00 0.00 H new ATOM 0 HG21 VAL A 49 8.491 -12.273 0.076 1.00 0.00 H new ATOM 0 HG22 VAL A 49 7.880 -12.315 1.747 1.00 0.00 H new ATOM 0 HG23 VAL A 49 7.217 -13.430 0.528 1.00 0.00 H new ATOM 768 N ALA A 50 4.236 -9.529 1.908 1.00 0.00 N ATOM 769 CA ALA A 50 3.393 -8.347 1.781 1.00 0.00 C ATOM 770 C ALA A 50 4.205 -7.157 1.298 1.00 0.00 C ATOM 771 O ALA A 50 5.402 -7.057 1.567 1.00 0.00 O ATOM 772 CB ALA A 50 2.736 -8.004 3.107 1.00 0.00 C ATOM 0 H ALA A 50 4.744 -9.589 2.791 1.00 0.00 H new ATOM 0 HA ALA A 50 2.617 -8.573 1.049 1.00 0.00 H new ATOM 0 HB1 ALA A 50 2.112 -7.118 2.986 1.00 0.00 H new ATOM 0 HB2 ALA A 50 2.119 -8.841 3.434 1.00 0.00 H new ATOM 0 HB3 ALA A 50 3.505 -7.807 3.854 1.00 0.00 H new ATOM 778 N LEU A 51 3.546 -6.253 0.590 1.00 0.00 N ATOM 779 CA LEU A 51 4.205 -5.064 0.077 1.00 0.00 C ATOM 780 C LEU A 51 3.648 -3.818 0.750 1.00 0.00 C ATOM 781 O LEU A 51 2.459 -3.520 0.649 1.00 0.00 O ATOM 782 CB LEU A 51 4.042 -4.981 -1.444 1.00 0.00 C ATOM 783 CG LEU A 51 3.768 -6.317 -2.147 1.00 0.00 C ATOM 784 CD1 LEU A 51 3.677 -6.120 -3.652 1.00 0.00 C ATOM 785 CD2 LEU A 51 4.841 -7.342 -1.811 1.00 0.00 C ATOM 0 H LEU A 51 2.555 -6.321 0.358 1.00 0.00 H new ATOM 0 HA LEU A 51 5.269 -5.127 0.304 1.00 0.00 H new ATOM 0 HB2 LEU A 51 3.224 -4.296 -1.669 1.00 0.00 H new ATOM 0 HB3 LEU A 51 4.947 -4.546 -1.867 1.00 0.00 H new ATOM 0 HG LEU A 51 2.812 -6.696 -1.786 1.00 0.00 H new ATOM 0 HD11 LEU A 51 3.482 -7.078 -4.133 1.00 0.00 H new ATOM 0 HD12 LEU A 51 2.866 -5.428 -3.880 1.00 0.00 H new ATOM 0 HD13 LEU A 51 4.617 -5.712 -4.023 1.00 0.00 H new ATOM 0 HD21 LEU A 51 4.622 -8.279 -2.323 1.00 0.00 H new ATOM 0 HD22 LEU A 51 5.813 -6.971 -2.135 1.00 0.00 H new ATOM 0 HD23 LEU A 51 4.858 -7.512 -0.734 1.00 0.00 H new ATOM 797 N ASN A 52 4.520 -3.111 1.457 1.00 0.00 N ATOM 798 CA ASN A 52 4.134 -1.910 2.177 1.00 0.00 C ATOM 799 C ASN A 52 4.288 -0.691 1.285 1.00 0.00 C ATOM 800 O ASN A 52 5.359 -0.090 1.202 1.00 0.00 O ATOM 801 CB ASN A 52 4.990 -1.766 3.436 1.00 0.00 C ATOM 802 CG ASN A 52 5.191 -3.095 4.139 1.00 0.00 C ATOM 803 OD1 ASN A 52 4.285 -3.926 4.187 1.00 0.00 O ATOM 804 ND2 ASN A 52 6.384 -3.309 4.678 1.00 0.00 N ATOM 0 H ASN A 52 5.507 -3.353 1.546 1.00 0.00 H new ATOM 0 HA ASN A 52 3.087 -1.989 2.470 1.00 0.00 H new ATOM 0 HB2 ASN A 52 5.960 -1.346 3.169 1.00 0.00 H new ATOM 0 HB3 ASN A 52 4.515 -1.062 4.119 1.00 0.00 H new ATOM 0 HD21 ASN A 52 6.578 -4.190 5.155 1.00 0.00 H new ATOM 0 HD22 ASN A 52 7.108 -2.593 4.616 1.00 0.00 H new ATOM 811 N VAL A 53 3.199 -0.339 0.619 1.00 0.00 N ATOM 812 CA VAL A 53 3.192 0.774 -0.312 1.00 0.00 C ATOM 813 C VAL A 53 2.906 2.092 0.392 1.00 0.00 C ATOM 814 O VAL A 53 1.753 2.425 0.671 1.00 0.00 O ATOM 815 CB VAL A 53 2.141 0.567 -1.415 1.00 0.00 C ATOM 816 CG1 VAL A 53 2.377 1.531 -2.569 1.00 0.00 C ATOM 817 CG2 VAL A 53 2.152 -0.872 -1.900 1.00 0.00 C ATOM 0 H VAL A 53 2.301 -0.815 0.709 1.00 0.00 H new ATOM 0 HA VAL A 53 4.187 0.815 -0.756 1.00 0.00 H new ATOM 0 HB VAL A 53 1.157 0.776 -0.996 1.00 0.00 H new ATOM 0 HG11 VAL A 53 1.623 1.368 -3.339 1.00 0.00 H new ATOM 0 HG12 VAL A 53 2.310 2.557 -2.206 1.00 0.00 H new ATOM 0 HG13 VAL A 53 3.368 1.359 -2.990 1.00 0.00 H new ATOM 0 HG21 VAL A 53 1.402 -0.999 -2.680 1.00 0.00 H new ATOM 0 HG22 VAL A 53 3.136 -1.113 -2.301 1.00 0.00 H new ATOM 0 HG23 VAL A 53 1.926 -1.538 -1.068 1.00 0.00 H new ATOM 827 N MET A 54 3.959 2.865 0.615 1.00 0.00 N ATOM 828 CA MET A 54 3.830 4.169 1.245 1.00 0.00 C ATOM 829 C MET A 54 3.479 5.220 0.202 1.00 0.00 C ATOM 830 O MET A 54 3.602 4.975 -0.998 1.00 0.00 O ATOM 831 CB MET A 54 5.133 4.545 1.955 1.00 0.00 C ATOM 832 CG MET A 54 5.478 3.630 3.120 1.00 0.00 C ATOM 833 SD MET A 54 6.991 2.687 2.842 1.00 0.00 S ATOM 834 CE MET A 54 6.763 1.327 3.988 1.00 0.00 C ATOM 0 H MET A 54 4.915 2.610 0.368 1.00 0.00 H new ATOM 0 HA MET A 54 3.030 4.125 1.984 1.00 0.00 H new ATOM 0 HB2 MET A 54 5.949 4.524 1.233 1.00 0.00 H new ATOM 0 HB3 MET A 54 5.056 5.570 2.319 1.00 0.00 H new ATOM 0 HG2 MET A 54 5.588 4.227 4.025 1.00 0.00 H new ATOM 0 HG3 MET A 54 4.652 2.940 3.292 1.00 0.00 H new ATOM 0 HE1 MET A 54 7.603 0.637 3.906 1.00 0.00 H new ATOM 0 HE2 MET A 54 6.709 1.714 5.006 1.00 0.00 H new ATOM 0 HE3 MET A 54 5.838 0.802 3.750 1.00 0.00 H new ATOM 844 N VAL A 55 3.004 6.373 0.657 1.00 0.00 N ATOM 845 CA VAL A 55 2.602 7.438 -0.251 1.00 0.00 C ATOM 846 C VAL A 55 3.062 8.804 0.255 1.00 0.00 C ATOM 847 O VAL A 55 2.972 9.097 1.448 1.00 0.00 O ATOM 848 CB VAL A 55 1.071 7.451 -0.454 1.00 0.00 C ATOM 849 CG1 VAL A 55 0.553 6.046 -0.711 1.00 0.00 C ATOM 850 CG2 VAL A 55 0.364 8.066 0.744 1.00 0.00 C ATOM 0 H VAL A 55 2.888 6.593 1.646 1.00 0.00 H new ATOM 0 HA VAL A 55 3.083 7.239 -1.208 1.00 0.00 H new ATOM 0 HB VAL A 55 0.855 8.067 -1.327 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -0.527 6.077 -0.851 1.00 0.00 H new ATOM 0 HG12 VAL A 55 1.024 5.643 -1.607 1.00 0.00 H new ATOM 0 HG13 VAL A 55 0.790 5.409 0.141 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -0.712 8.062 0.573 1.00 0.00 H new ATOM 0 HG22 VAL A 55 0.592 7.486 1.638 1.00 0.00 H new ATOM 0 HG23 VAL A 55 0.706 9.092 0.881 1.00 0.00 H new ATOM 860 N VAL A 56 3.579 9.627 -0.654 1.00 0.00 N ATOM 861 CA VAL A 56 4.044 10.963 -0.289 1.00 0.00 C ATOM 862 C VAL A 56 2.956 12.006 -0.524 1.00 0.00 C ATOM 863 O VAL A 56 2.536 12.232 -1.658 1.00 0.00 O ATOM 864 CB VAL A 56 5.306 11.378 -1.074 1.00 0.00 C ATOM 865 CG1 VAL A 56 6.398 11.835 -0.119 1.00 0.00 C ATOM 866 CG2 VAL A 56 5.803 10.241 -1.954 1.00 0.00 C ATOM 0 H VAL A 56 3.686 9.395 -1.641 1.00 0.00 H new ATOM 0 HA VAL A 56 4.292 10.919 0.771 1.00 0.00 H new ATOM 0 HB VAL A 56 5.042 12.212 -1.724 1.00 0.00 H new ATOM 0 HG11 VAL A 56 7.281 12.124 -0.688 1.00 0.00 H new ATOM 0 HG12 VAL A 56 6.043 12.689 0.458 1.00 0.00 H new ATOM 0 HG13 VAL A 56 6.654 11.020 0.558 1.00 0.00 H new ATOM 0 HG21 VAL A 56 6.693 10.562 -2.495 1.00 0.00 H new ATOM 0 HG22 VAL A 56 6.047 9.380 -1.332 1.00 0.00 H new ATOM 0 HG23 VAL A 56 5.025 9.965 -2.666 1.00 0.00 H new ATOM 876 N VAL A 57 2.506 12.640 0.555 1.00 0.00 N ATOM 877 CA VAL A 57 1.478 13.670 0.461 1.00 0.00 C ATOM 878 C VAL A 57 1.896 14.929 1.215 1.00 0.00 C ATOM 879 O VAL A 57 2.611 14.858 2.215 1.00 0.00 O ATOM 880 CB VAL A 57 0.121 13.174 1.003 1.00 0.00 C ATOM 881 CG1 VAL A 57 -0.244 11.834 0.381 1.00 0.00 C ATOM 882 CG2 VAL A 57 0.140 13.074 2.520 1.00 0.00 C ATOM 0 H VAL A 57 2.837 12.459 1.503 1.00 0.00 H new ATOM 0 HA VAL A 57 1.362 13.906 -0.597 1.00 0.00 H new ATOM 0 HB VAL A 57 -0.640 13.903 0.725 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -1.204 11.499 0.775 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -0.314 11.942 -0.701 1.00 0.00 H new ATOM 0 HG13 VAL A 57 0.524 11.099 0.624 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -0.829 12.722 2.874 1.00 0.00 H new ATOM 0 HG22 VAL A 57 0.915 12.373 2.829 1.00 0.00 H new ATOM 0 HG23 VAL A 57 0.347 14.055 2.947 1.00 0.00 H new ATOM 892 N GLY A 58 1.453 16.082 0.723 1.00 0.00 N ATOM 893 CA GLY A 58 1.792 17.341 1.360 1.00 0.00 C ATOM 894 C GLY A 58 0.944 18.491 0.855 1.00 0.00 C ATOM 895 O GLY A 58 0.061 18.977 1.562 1.00 0.00 O ATOM 0 H GLY A 58 0.865 16.166 -0.106 1.00 0.00 H new ATOM 0 HA2 GLY A 58 1.664 17.245 2.438 1.00 0.00 H new ATOM 0 HA3 GLY A 58 2.844 17.563 1.182 1.00 0.00 H new ATOM 899 N ASP A 59 1.209 18.925 -0.373 1.00 0.00 N ATOM 900 CA ASP A 59 0.458 20.019 -0.975 1.00 0.00 C ATOM 901 C ASP A 59 -0.859 19.517 -1.553 1.00 0.00 C ATOM 902 O ASP A 59 -1.662 20.297 -2.066 1.00 0.00 O ATOM 903 CB ASP A 59 1.285 20.693 -2.071 1.00 0.00 C ATOM 904 CG ASP A 59 2.020 21.920 -1.570 1.00 0.00 C ATOM 905 OD1 ASP A 59 2.511 21.891 -0.421 1.00 0.00 O ATOM 906 OD2 ASP A 59 2.105 22.911 -2.325 1.00 0.00 O ATOM 0 H ASP A 59 1.938 18.535 -0.970 1.00 0.00 H new ATOM 0 HA ASP A 59 0.239 20.749 -0.196 1.00 0.00 H new ATOM 0 HB2 ASP A 59 2.006 19.979 -2.469 1.00 0.00 H new ATOM 0 HB3 ASP A 59 0.629 20.977 -2.894 1.00 0.00 H new ATOM 911 N ALA A 60 -1.069 18.209 -1.467 1.00 0.00 N ATOM 912 CA ALA A 60 -2.286 17.590 -1.975 1.00 0.00 C ATOM 913 C ALA A 60 -3.506 18.015 -1.161 1.00 0.00 C ATOM 914 O ALA A 60 -3.542 19.114 -0.603 1.00 0.00 O ATOM 915 CB ALA A 60 -2.139 16.078 -1.968 1.00 0.00 C ATOM 0 H ALA A 60 -0.409 17.554 -1.048 1.00 0.00 H new ATOM 0 HA ALA A 60 -2.440 17.928 -3.000 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -3.053 15.622 -2.349 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -1.299 15.791 -2.601 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -1.960 15.735 -0.949 1.00 0.00 H new ATOM 921 N GLU A 61 -4.503 17.138 -1.090 1.00 0.00 N ATOM 922 CA GLU A 61 -5.724 17.423 -0.346 1.00 0.00 C ATOM 923 C GLU A 61 -6.302 16.148 0.253 1.00 0.00 C ATOM 924 O GLU A 61 -5.633 15.116 0.307 1.00 0.00 O ATOM 925 CB GLU A 61 -6.761 18.083 -1.256 1.00 0.00 C ATOM 926 CG GLU A 61 -6.557 17.788 -2.734 1.00 0.00 C ATOM 927 CD GLU A 61 -7.192 18.834 -3.630 1.00 0.00 C ATOM 928 OE1 GLU A 61 -6.959 20.038 -3.393 1.00 0.00 O ATOM 929 OE2 GLU A 61 -7.921 18.448 -4.568 1.00 0.00 O ATOM 0 H GLU A 61 -4.488 16.223 -1.540 1.00 0.00 H new ATOM 0 HA GLU A 61 -5.473 18.107 0.464 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -7.755 17.747 -0.962 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -6.731 19.162 -1.103 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -5.489 17.733 -2.946 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -6.979 16.810 -2.967 1.00 0.00 H new ATOM 936 N GLY A 62 -7.555 16.223 0.687 1.00 0.00 N ATOM 937 CA GLY A 62 -8.210 15.061 1.251 1.00 0.00 C ATOM 938 C GLY A 62 -8.742 14.142 0.172 1.00 0.00 C ATOM 939 O GLY A 62 -9.550 13.253 0.441 1.00 0.00 O ATOM 0 H GLY A 62 -8.127 17.067 0.658 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -7.506 14.516 1.880 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -9.030 15.381 1.894 1.00 0.00 H new ATOM 943 N GLY A 63 -8.278 14.362 -1.056 1.00 0.00 N ATOM 944 CA GLY A 63 -8.711 13.545 -2.174 1.00 0.00 C ATOM 945 C GLY A 63 -8.170 12.132 -2.103 1.00 0.00 C ATOM 946 O GLY A 63 -8.500 11.292 -2.940 1.00 0.00 O ATOM 0 H GLY A 63 -7.609 15.093 -1.295 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -9.800 13.513 -2.196 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -8.387 14.008 -3.106 1.00 0.00 H new ATOM 950 N THR A 64 -7.343 11.866 -1.096 1.00 0.00 N ATOM 951 CA THR A 64 -6.770 10.539 -0.917 1.00 0.00 C ATOM 952 C THR A 64 -7.821 9.579 -0.378 1.00 0.00 C ATOM 953 O THR A 64 -7.561 8.389 -0.204 1.00 0.00 O ATOM 954 CB THR A 64 -5.572 10.586 0.031 1.00 0.00 C ATOM 955 OG1 THR A 64 -5.989 10.421 1.375 1.00 0.00 O ATOM 956 CG2 THR A 64 -4.787 11.877 -0.053 1.00 0.00 C ATOM 0 H THR A 64 -7.057 12.550 -0.395 1.00 0.00 H new ATOM 0 HA THR A 64 -6.427 10.184 -1.889 1.00 0.00 H new ATOM 0 HB THR A 64 -4.924 9.768 -0.285 1.00 0.00 H new ATOM 0 HG1 THR A 64 -5.208 10.452 1.966 1.00 0.00 H new ATOM 0 HG21 THR A 64 -3.952 11.841 0.646 1.00 0.00 H new ATOM 0 HG22 THR A 64 -4.407 12.006 -1.066 1.00 0.00 H new ATOM 0 HG23 THR A 64 -5.437 12.715 0.200 1.00 0.00 H new ATOM 964 N GLU A 65 -9.007 10.115 -0.112 1.00 0.00 N ATOM 965 CA GLU A 65 -10.120 9.340 0.355 1.00 0.00 C ATOM 966 C GLU A 65 -10.404 8.185 -0.590 1.00 0.00 C ATOM 967 O GLU A 65 -10.959 7.158 -0.201 1.00 0.00 O ATOM 968 CB GLU A 65 -11.310 10.281 0.436 1.00 0.00 C ATOM 969 CG GLU A 65 -12.476 9.903 -0.455 1.00 0.00 C ATOM 970 CD GLU A 65 -13.800 10.441 0.050 1.00 0.00 C ATOM 971 OE1 GLU A 65 -14.135 10.185 1.226 1.00 0.00 O ATOM 972 OE2 GLU A 65 -14.503 11.117 -0.730 1.00 0.00 O ATOM 0 H GLU A 65 -9.211 11.109 -0.220 1.00 0.00 H new ATOM 0 HA GLU A 65 -9.908 8.904 1.331 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -11.657 10.319 1.469 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -10.980 11.286 0.173 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -12.296 10.281 -1.461 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -12.534 8.817 -0.528 1.00 0.00 H new ATOM 979 N ALA A 66 -10.000 8.373 -1.835 1.00 0.00 N ATOM 980 CA ALA A 66 -10.206 7.373 -2.875 1.00 0.00 C ATOM 981 C ALA A 66 -9.569 6.044 -2.487 1.00 0.00 C ATOM 982 O ALA A 66 -10.016 4.985 -2.924 1.00 0.00 O ATOM 983 CB ALA A 66 -9.646 7.861 -4.202 1.00 0.00 C ATOM 0 H ALA A 66 -9.523 9.216 -2.154 1.00 0.00 H new ATOM 0 HA ALA A 66 -11.279 7.217 -2.986 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -9.809 7.102 -4.967 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -10.150 8.783 -4.493 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -8.577 8.049 -4.099 1.00 0.00 H new ATOM 989 N ALA A 67 -8.554 6.102 -1.630 1.00 0.00 N ATOM 990 CA ALA A 67 -7.882 4.896 -1.167 1.00 0.00 C ATOM 991 C ALA A 67 -8.860 4.013 -0.404 1.00 0.00 C ATOM 992 O ALA A 67 -9.066 2.851 -0.753 1.00 0.00 O ATOM 993 CB ALA A 67 -6.693 5.249 -0.287 1.00 0.00 C ATOM 0 H ALA A 67 -8.181 6.969 -1.244 1.00 0.00 H new ATOM 0 HA ALA A 67 -7.515 4.349 -2.035 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -6.204 4.334 0.049 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -5.985 5.851 -0.857 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -7.036 5.816 0.579 1.00 0.00 H new ATOM 999 N GLU A 68 -9.486 4.589 0.617 1.00 0.00 N ATOM 1000 CA GLU A 68 -10.471 3.869 1.410 1.00 0.00 C ATOM 1001 C GLU A 68 -11.610 3.379 0.521 1.00 0.00 C ATOM 1002 O GLU A 68 -12.208 2.334 0.775 1.00 0.00 O ATOM 1003 CB GLU A 68 -11.021 4.768 2.518 1.00 0.00 C ATOM 1004 CG GLU A 68 -9.951 5.311 3.450 1.00 0.00 C ATOM 1005 CD GLU A 68 -10.532 5.972 4.684 1.00 0.00 C ATOM 1006 OE1 GLU A 68 -11.567 6.659 4.557 1.00 0.00 O ATOM 1007 OE2 GLU A 68 -9.952 5.805 5.777 1.00 0.00 O ATOM 0 H GLU A 68 -9.328 5.552 0.913 1.00 0.00 H new ATOM 0 HA GLU A 68 -9.985 3.007 1.866 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -11.554 5.604 2.065 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -11.749 4.205 3.103 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -9.293 4.497 3.754 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -9.337 6.033 2.911 1.00 0.00 H new ATOM 1014 N GLU A 69 -11.928 4.164 -0.506 1.00 0.00 N ATOM 1015 CA GLU A 69 -12.969 3.796 -1.453 1.00 0.00 C ATOM 1016 C GLU A 69 -12.590 2.513 -2.181 1.00 0.00 C ATOM 1017 O GLU A 69 -13.364 1.558 -2.225 1.00 0.00 O ATOM 1018 CB GLU A 69 -13.201 4.925 -2.459 1.00 0.00 C ATOM 1019 CG GLU A 69 -14.665 5.301 -2.625 1.00 0.00 C ATOM 1020 CD GLU A 69 -14.857 6.535 -3.485 1.00 0.00 C ATOM 1021 OE1 GLU A 69 -14.786 7.656 -2.939 1.00 0.00 O ATOM 1022 OE2 GLU A 69 -15.081 6.380 -4.704 1.00 0.00 O ATOM 0 H GLU A 69 -11.478 5.058 -0.701 1.00 0.00 H new ATOM 0 HA GLU A 69 -13.894 3.627 -0.902 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -12.642 5.805 -2.140 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -12.799 4.626 -3.427 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -15.203 4.464 -3.071 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -15.105 5.475 -1.643 1.00 0.00 H new ATOM 1029 N SER A 70 -11.390 2.508 -2.756 1.00 0.00 N ATOM 1030 CA SER A 70 -10.880 1.338 -3.455 1.00 0.00 C ATOM 1031 C SER A 70 -10.711 0.179 -2.482 1.00 0.00 C ATOM 1032 O SER A 70 -10.609 -0.977 -2.888 1.00 0.00 O ATOM 1033 CB SER A 70 -9.545 1.660 -4.132 1.00 0.00 C ATOM 1034 OG SER A 70 -8.452 1.200 -3.356 1.00 0.00 O ATOM 0 H SER A 70 -10.753 3.305 -2.750 1.00 0.00 H new ATOM 0 HA SER A 70 -11.598 1.051 -4.223 1.00 0.00 H new ATOM 0 HB2 SER A 70 -9.514 1.198 -5.119 1.00 0.00 H new ATOM 0 HB3 SER A 70 -9.461 2.736 -4.282 1.00 0.00 H new ATOM 0 HG SER A 70 -8.467 1.636 -2.479 1.00 0.00 H new ATOM 1040 N LEU A 71 -10.708 0.505 -1.194 1.00 0.00 N ATOM 1041 CA LEU A 71 -10.573 -0.491 -0.139 1.00 0.00 C ATOM 1042 C LEU A 71 -11.860 -1.293 0.005 1.00 0.00 C ATOM 1043 O LEU A 71 -11.836 -2.479 0.333 1.00 0.00 O ATOM 1044 CB LEU A 71 -10.259 0.207 1.182 1.00 0.00 C ATOM 1045 CG LEU A 71 -8.851 -0.011 1.733 1.00 0.00 C ATOM 1046 CD1 LEU A 71 -8.561 1.003 2.821 1.00 0.00 C ATOM 1047 CD2 LEU A 71 -8.698 -1.430 2.255 1.00 0.00 C ATOM 0 H LEU A 71 -10.799 1.462 -0.854 1.00 0.00 H new ATOM 0 HA LEU A 71 -9.762 -1.171 -0.400 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -10.415 1.278 1.051 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -10.977 -0.131 1.929 1.00 0.00 H new ATOM 0 HG LEU A 71 -8.129 0.129 0.929 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -7.555 0.842 3.210 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -8.634 2.010 2.409 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -9.285 0.888 3.628 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -7.689 -1.568 2.644 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -9.421 -1.604 3.052 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -8.874 -2.137 1.444 1.00 0.00 H new ATOM 1059 N SER A 72 -12.984 -0.629 -0.243 1.00 0.00 N ATOM 1060 CA SER A 72 -14.295 -1.261 -0.150 1.00 0.00 C ATOM 1061 C SER A 72 -14.434 -2.375 -1.184 1.00 0.00 C ATOM 1062 O SER A 72 -15.378 -3.165 -1.144 1.00 0.00 O ATOM 1063 CB SER A 72 -15.388 -0.213 -0.352 1.00 0.00 C ATOM 1064 OG SER A 72 -16.476 -0.432 0.529 1.00 0.00 O ATOM 0 H SER A 72 -13.013 0.354 -0.512 1.00 0.00 H new ATOM 0 HA SER A 72 -14.400 -1.703 0.841 1.00 0.00 H new ATOM 0 HB2 SER A 72 -14.976 0.782 -0.186 1.00 0.00 H new ATOM 0 HB3 SER A 72 -15.740 -0.244 -1.383 1.00 0.00 H new ATOM 0 HG SER A 72 -17.161 0.253 0.380 1.00 0.00 H new ATOM 1070 N GLY A 73 -13.473 -2.435 -2.098 1.00 0.00 N ATOM 1071 CA GLY A 73 -13.466 -3.458 -3.126 1.00 0.00 C ATOM 1072 C GLY A 73 -12.053 -3.778 -3.561 1.00 0.00 C ATOM 1073 O GLY A 73 -11.807 -4.162 -4.704 1.00 0.00 O ATOM 0 H GLY A 73 -12.689 -1.784 -2.145 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -13.948 -4.360 -2.750 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -14.047 -3.121 -3.984 1.00 0.00 H new ATOM 1077 N ILE A 74 -11.128 -3.591 -2.630 1.00 0.00 N ATOM 1078 CA ILE A 74 -9.710 -3.814 -2.875 1.00 0.00 C ATOM 1079 C ILE A 74 -9.388 -5.309 -2.952 1.00 0.00 C ATOM 1080 O ILE A 74 -10.291 -6.139 -3.067 1.00 0.00 O ATOM 1081 CB ILE A 74 -8.873 -3.133 -1.766 1.00 0.00 C ATOM 1082 CG1 ILE A 74 -7.464 -2.808 -2.262 1.00 0.00 C ATOM 1083 CG2 ILE A 74 -8.825 -3.991 -0.509 1.00 0.00 C ATOM 1084 CD1 ILE A 74 -6.789 -1.708 -1.472 1.00 0.00 C ATOM 0 H ILE A 74 -11.340 -3.280 -1.682 1.00 0.00 H new ATOM 0 HA ILE A 74 -9.453 -3.372 -3.838 1.00 0.00 H new ATOM 0 HB ILE A 74 -9.363 -2.193 -1.510 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -6.852 -3.709 -2.213 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -7.514 -2.514 -3.310 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -8.230 -3.487 0.253 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -9.837 -4.146 -0.135 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -8.373 -4.955 -0.743 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -5.793 -1.528 -1.877 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -7.380 -0.795 -1.542 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -6.707 -2.008 -0.427 1.00 0.00 H new ATOM 1096 N GLU A 75 -8.100 -5.643 -2.898 1.00 0.00 N ATOM 1097 CA GLU A 75 -7.654 -7.027 -2.968 1.00 0.00 C ATOM 1098 C GLU A 75 -8.387 -7.892 -1.944 1.00 0.00 C ATOM 1099 O GLU A 75 -8.072 -7.870 -0.755 1.00 0.00 O ATOM 1100 CB GLU A 75 -6.142 -7.092 -2.736 1.00 0.00 C ATOM 1101 CG GLU A 75 -5.349 -7.430 -3.988 1.00 0.00 C ATOM 1102 CD GLU A 75 -5.169 -6.236 -4.905 1.00 0.00 C ATOM 1103 OE1 GLU A 75 -4.637 -5.205 -4.441 1.00 0.00 O ATOM 1104 OE2 GLU A 75 -5.559 -6.331 -6.087 1.00 0.00 O ATOM 0 H GLU A 75 -7.344 -4.965 -2.805 1.00 0.00 H new ATOM 0 HA GLU A 75 -7.884 -7.417 -3.960 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -5.801 -6.132 -2.348 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -5.932 -7.839 -1.970 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -4.370 -7.814 -3.701 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -5.857 -8.227 -4.531 1.00 0.00 H new ATOM 1111 N GLY A 76 -9.381 -8.640 -2.421 1.00 0.00 N ATOM 1112 CA GLY A 76 -10.170 -9.491 -1.543 1.00 0.00 C ATOM 1113 C GLY A 76 -9.359 -10.617 -0.931 1.00 0.00 C ATOM 1114 O GLY A 76 -9.619 -11.032 0.198 1.00 0.00 O ATOM 0 H GLY A 76 -9.655 -8.672 -3.403 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -10.599 -8.884 -0.746 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -11.002 -9.913 -2.106 1.00 0.00 H new ATOM 1118 N VAL A 77 -8.373 -11.107 -1.674 1.00 0.00 N ATOM 1119 CA VAL A 77 -7.515 -12.182 -1.189 1.00 0.00 C ATOM 1120 C VAL A 77 -6.358 -11.610 -0.387 1.00 0.00 C ATOM 1121 O VAL A 77 -5.953 -12.172 0.629 1.00 0.00 O ATOM 1122 CB VAL A 77 -6.947 -13.022 -2.348 1.00 0.00 C ATOM 1123 CG1 VAL A 77 -6.277 -14.281 -1.815 1.00 0.00 C ATOM 1124 CG2 VAL A 77 -8.042 -13.369 -3.345 1.00 0.00 C ATOM 0 H VAL A 77 -8.148 -10.778 -2.613 1.00 0.00 H new ATOM 0 HA VAL A 77 -8.129 -12.825 -0.558 1.00 0.00 H new ATOM 0 HB VAL A 77 -6.193 -12.430 -2.867 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -5.881 -14.863 -2.647 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -5.462 -14.004 -1.146 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -7.007 -14.879 -1.269 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -7.621 -13.963 -4.156 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -8.822 -13.942 -2.844 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -8.469 -12.452 -3.750 1.00 0.00 H new ATOM 1134 N SER A 78 -5.866 -10.462 -0.829 1.00 0.00 N ATOM 1135 CA SER A 78 -4.770 -9.790 -0.157 1.00 0.00 C ATOM 1136 C SER A 78 -5.299 -8.736 0.796 1.00 0.00 C ATOM 1137 O SER A 78 -5.541 -7.595 0.401 1.00 0.00 O ATOM 1138 CB SER A 78 -3.833 -9.134 -1.180 1.00 0.00 C ATOM 1139 OG SER A 78 -2.980 -8.190 -0.557 1.00 0.00 O ATOM 0 H SER A 78 -6.213 -9.976 -1.656 1.00 0.00 H new ATOM 0 HA SER A 78 -4.212 -10.535 0.410 1.00 0.00 H new ATOM 0 HB2 SER A 78 -3.235 -9.900 -1.673 1.00 0.00 H new ATOM 0 HB3 SER A 78 -4.422 -8.642 -1.954 1.00 0.00 H new ATOM 0 HG SER A 78 -3.047 -7.331 -1.024 1.00 0.00 H new ATOM 1145 N ASN A 79 -5.499 -9.119 2.054 1.00 0.00 N ATOM 1146 CA ASN A 79 -5.950 -8.157 3.050 1.00 0.00 C ATOM 1147 C ASN A 79 -4.777 -7.310 3.463 1.00 0.00 C ATOM 1148 O ASN A 79 -3.694 -7.817 3.757 1.00 0.00 O ATOM 1149 CB ASN A 79 -6.568 -8.816 4.281 1.00 0.00 C ATOM 1150 CG ASN A 79 -7.579 -7.908 4.981 1.00 0.00 C ATOM 1151 OD1 ASN A 79 -8.658 -8.359 5.363 1.00 0.00 O ATOM 1152 ND2 ASN A 79 -7.244 -6.618 5.154 1.00 0.00 N ATOM 0 H ASN A 79 -5.359 -10.068 2.401 1.00 0.00 H new ATOM 0 HA ASN A 79 -6.734 -7.551 2.596 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -7.060 -9.743 3.986 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -5.778 -9.084 4.982 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -7.893 -5.980 5.614 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -6.341 -6.277 4.825 1.00 0.00 H new ATOM 1159 N ILE A 80 -4.990 -6.019 3.450 1.00 0.00 N ATOM 1160 CA ILE A 80 -3.935 -5.088 3.731 1.00 0.00 C ATOM 1161 C ILE A 80 -4.007 -4.542 5.143 1.00 0.00 C ATOM 1162 O ILE A 80 -5.091 -4.348 5.697 1.00 0.00 O ATOM 1163 CB ILE A 80 -4.012 -3.912 2.754 1.00 0.00 C ATOM 1164 CG1 ILE A 80 -4.147 -4.413 1.317 1.00 0.00 C ATOM 1165 CG2 ILE A 80 -2.804 -3.020 2.907 1.00 0.00 C ATOM 1166 CD1 ILE A 80 -5.536 -4.237 0.745 1.00 0.00 C ATOM 0 H ILE A 80 -5.892 -5.589 3.246 1.00 0.00 H new ATOM 0 HA ILE A 80 -2.995 -5.629 3.621 1.00 0.00 H new ATOM 0 HB ILE A 80 -4.899 -3.324 2.988 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -3.433 -3.882 0.687 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -3.879 -5.469 1.282 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -2.874 -2.189 2.205 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -2.764 -2.633 3.925 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -1.900 -3.593 2.701 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -5.559 -4.614 -0.277 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -6.252 -4.791 1.352 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -5.799 -3.179 0.748 1.00 0.00 H new ATOM 1178 N GLU A 81 -2.843 -4.238 5.695 1.00 0.00 N ATOM 1179 CA GLU A 81 -2.761 -3.573 6.975 1.00 0.00 C ATOM 1180 C GLU A 81 -2.866 -2.089 6.697 1.00 0.00 C ATOM 1181 O GLU A 81 -1.877 -1.356 6.727 1.00 0.00 O ATOM 1182 CB GLU A 81 -1.447 -3.902 7.687 1.00 0.00 C ATOM 1183 CG GLU A 81 -1.512 -3.721 9.195 1.00 0.00 C ATOM 1184 CD GLU A 81 -1.634 -5.039 9.935 1.00 0.00 C ATOM 1185 OE1 GLU A 81 -0.620 -5.763 10.027 1.00 0.00 O ATOM 1186 OE2 GLU A 81 -2.741 -5.346 10.424 1.00 0.00 O ATOM 0 H GLU A 81 -1.940 -4.445 5.269 1.00 0.00 H new ATOM 0 HA GLU A 81 -3.561 -3.907 7.635 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -1.171 -4.933 7.464 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -0.657 -3.267 7.287 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -0.617 -3.200 9.534 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -2.363 -3.088 9.445 1.00 0.00 H new ATOM 1193 N VAL A 82 -4.067 -1.691 6.301 1.00 0.00 N ATOM 1194 CA VAL A 82 -4.332 -0.334 5.868 1.00 0.00 C ATOM 1195 C VAL A 82 -4.504 0.599 7.063 1.00 0.00 C ATOM 1196 O VAL A 82 -5.427 1.413 7.125 1.00 0.00 O ATOM 1197 CB VAL A 82 -5.584 -0.306 4.966 1.00 0.00 C ATOM 1198 CG1 VAL A 82 -5.855 1.101 4.457 1.00 0.00 C ATOM 1199 CG2 VAL A 82 -5.416 -1.259 3.799 1.00 0.00 C ATOM 0 H VAL A 82 -4.883 -2.303 6.272 1.00 0.00 H new ATOM 0 HA VAL A 82 -3.476 0.020 5.293 1.00 0.00 H new ATOM 0 HB VAL A 82 -6.438 -0.626 5.563 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -6.742 1.094 3.824 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -6.018 1.769 5.303 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -4.999 1.450 3.879 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -6.307 -1.228 3.172 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -4.548 -0.963 3.210 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -5.272 -2.272 4.174 1.00 0.00 H new ATOM 1209 N THR A 83 -3.610 0.449 8.027 1.00 0.00 N ATOM 1210 CA THR A 83 -3.608 1.292 9.208 1.00 0.00 C ATOM 1211 C THR A 83 -2.203 1.809 9.493 1.00 0.00 C ATOM 1212 O THR A 83 -1.931 2.316 10.582 1.00 0.00 O ATOM 1213 CB THR A 83 -4.137 0.517 10.416 1.00 0.00 C ATOM 1214 OG1 THR A 83 -5.163 -0.379 10.026 1.00 0.00 O ATOM 1215 CG2 THR A 83 -4.691 1.411 11.502 1.00 0.00 C ATOM 0 H THR A 83 -2.872 -0.255 8.012 1.00 0.00 H new ATOM 0 HA THR A 83 -4.262 2.144 9.023 1.00 0.00 H new ATOM 0 HB THR A 83 -3.277 -0.021 10.816 1.00 0.00 H new ATOM 0 HG1 THR A 83 -5.487 -0.867 10.812 1.00 0.00 H new ATOM 0 HG21 THR A 83 -5.049 0.799 12.330 1.00 0.00 H new ATOM 0 HG22 THR A 83 -3.907 2.080 11.858 1.00 0.00 H new ATOM 0 HG23 THR A 83 -5.516 2.000 11.102 1.00 0.00 H new ATOM 1223 N ASP A 84 -1.285 1.595 8.549 1.00 0.00 N ATOM 1224 CA ASP A 84 0.090 2.025 8.729 1.00 0.00 C ATOM 1225 C ASP A 84 0.266 3.474 8.297 1.00 0.00 C ATOM 1226 O ASP A 84 -0.354 3.925 7.333 1.00 0.00 O ATOM 1227 CB ASP A 84 1.038 1.108 7.955 1.00 0.00 C ATOM 1228 CG ASP A 84 2.474 1.221 8.433 1.00 0.00 C ATOM 1229 OD1 ASP A 84 2.733 2.020 9.358 1.00 0.00 O ATOM 1230 OD2 ASP A 84 3.339 0.508 7.884 1.00 0.00 O ATOM 0 H ASP A 84 -1.473 1.130 7.661 1.00 0.00 H new ATOM 0 HA ASP A 84 0.335 1.960 9.789 1.00 0.00 H new ATOM 0 HB2 ASP A 84 0.704 0.075 8.058 1.00 0.00 H new ATOM 0 HB3 ASP A 84 0.991 1.354 6.894 1.00 0.00 H new ATOM 1235 N VAL A 85 1.115 4.195 9.014 1.00 0.00 N ATOM 1236 CA VAL A 85 1.359 5.600 8.721 1.00 0.00 C ATOM 1237 C VAL A 85 2.794 5.994 9.064 1.00 0.00 C ATOM 1238 O VAL A 85 3.499 5.269 9.765 1.00 0.00 O ATOM 1239 CB VAL A 85 0.377 6.507 9.490 1.00 0.00 C ATOM 1240 CG1 VAL A 85 0.812 6.677 10.939 1.00 0.00 C ATOM 1241 CG2 VAL A 85 0.239 7.857 8.801 1.00 0.00 C ATOM 0 H VAL A 85 1.647 3.830 9.804 1.00 0.00 H new ATOM 0 HA VAL A 85 1.202 5.738 7.651 1.00 0.00 H new ATOM 0 HB VAL A 85 -0.600 6.025 9.490 1.00 0.00 H new ATOM 0 HG11 VAL A 85 0.102 7.321 11.459 1.00 0.00 H new ATOM 0 HG12 VAL A 85 0.842 5.703 11.427 1.00 0.00 H new ATOM 0 HG13 VAL A 85 1.803 7.129 10.971 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -0.458 8.481 9.360 1.00 0.00 H new ATOM 0 HG22 VAL A 85 1.212 8.346 8.761 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -0.136 7.712 7.788 1.00 0.00 H new ATOM 1251 N ARG A 86 3.217 7.144 8.553 1.00 0.00 N ATOM 1252 CA ARG A 86 4.562 7.649 8.794 1.00 0.00 C ATOM 1253 C ARG A 86 4.567 9.171 8.793 1.00 0.00 C ATOM 1254 O ARG A 86 4.680 9.802 7.742 1.00 0.00 O ATOM 1255 CB ARG A 86 5.528 7.129 7.729 1.00 0.00 C ATOM 1256 CG ARG A 86 6.021 5.718 7.991 1.00 0.00 C ATOM 1257 CD ARG A 86 7.525 5.609 7.800 1.00 0.00 C ATOM 1258 NE ARG A 86 7.904 4.381 7.105 1.00 0.00 N ATOM 1259 CZ ARG A 86 8.831 4.326 6.154 1.00 0.00 C ATOM 1260 NH1 ARG A 86 9.474 5.427 5.785 1.00 0.00 N ATOM 1261 NH2 ARG A 86 9.119 3.170 5.571 1.00 0.00 N ATOM 0 H ARG A 86 2.643 7.748 7.965 1.00 0.00 H new ATOM 0 HA ARG A 86 4.889 7.294 9.771 1.00 0.00 H new ATOM 0 HB2 ARG A 86 5.034 7.158 6.758 1.00 0.00 H new ATOM 0 HB3 ARG A 86 6.386 7.799 7.670 1.00 0.00 H new ATOM 0 HG2 ARG A 86 5.760 5.423 9.007 1.00 0.00 H new ATOM 0 HG3 ARG A 86 5.517 5.024 7.318 1.00 0.00 H new ATOM 0 HD2 ARG A 86 7.881 6.470 7.234 1.00 0.00 H new ATOM 0 HD3 ARG A 86 8.017 5.641 8.772 1.00 0.00 H new ATOM 0 HE ARG A 86 7.430 3.516 7.365 1.00 0.00 H new ATOM 0 HH11 ARG A 86 9.257 6.318 6.232 1.00 0.00 H new ATOM 0 HH12 ARG A 86 10.185 5.382 5.055 1.00 0.00 H new ATOM 0 HH21 ARG A 86 8.629 2.321 5.852 1.00 0.00 H new ATOM 0 HH22 ARG A 86 9.831 3.130 4.841 1.00 0.00 H new ATOM 1275 N ARG A 87 4.429 9.754 9.975 1.00 0.00 N ATOM 1276 CA ARG A 87 4.413 11.204 10.113 1.00 0.00 C ATOM 1277 C ARG A 87 5.825 11.771 10.031 1.00 0.00 C ATOM 1278 O ARG A 87 6.515 11.895 11.044 1.00 0.00 O ATOM 1279 CB ARG A 87 3.766 11.603 11.440 1.00 0.00 C ATOM 1280 CG ARG A 87 2.247 11.658 11.382 1.00 0.00 C ATOM 1281 CD ARG A 87 1.743 13.091 11.319 1.00 0.00 C ATOM 1282 NE ARG A 87 0.519 13.275 12.094 1.00 0.00 N ATOM 1283 CZ ARG A 87 0.293 14.322 12.882 1.00 0.00 C ATOM 1284 NH1 ARG A 87 1.205 15.279 12.997 1.00 0.00 N ATOM 1285 NH2 ARG A 87 -0.846 14.415 13.553 1.00 0.00 N ATOM 0 H ARG A 87 4.326 9.245 10.853 1.00 0.00 H new ATOM 0 HA ARG A 87 3.826 11.617 9.293 1.00 0.00 H new ATOM 0 HB2 ARG A 87 4.067 10.892 12.210 1.00 0.00 H new ATOM 0 HB3 ARG A 87 4.146 12.579 11.741 1.00 0.00 H new ATOM 0 HG2 ARG A 87 1.895 11.109 10.509 1.00 0.00 H new ATOM 0 HG3 ARG A 87 1.830 11.163 12.259 1.00 0.00 H new ATOM 0 HD2 ARG A 87 2.514 13.763 11.694 1.00 0.00 H new ATOM 0 HD3 ARG A 87 1.559 13.365 10.280 1.00 0.00 H new ATOM 0 HE ARG A 87 -0.204 12.559 12.027 1.00 0.00 H new ATOM 0 HH11 ARG A 87 2.082 15.213 12.480 1.00 0.00 H new ATOM 0 HH12 ARG A 87 1.029 16.081 13.602 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -1.551 13.683 13.465 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -1.018 15.219 14.157 1.00 0.00 H new ATOM 1299 N LEU A 88 6.257 12.104 8.817 1.00 0.00 N ATOM 1300 CA LEU A 88 7.587 12.667 8.614 1.00 0.00 C ATOM 1301 C LEU A 88 7.589 14.157 8.916 1.00 0.00 C ATOM 1302 O LEU A 88 7.493 14.978 8.003 1.00 0.00 O ATOM 1303 CB LEU A 88 8.060 12.448 7.176 1.00 0.00 C ATOM 1304 CG LEU A 88 8.724 11.105 6.892 1.00 0.00 C ATOM 1305 CD1 LEU A 88 7.754 9.960 7.145 1.00 0.00 C ATOM 1306 CD2 LEU A 88 9.222 11.086 5.460 1.00 0.00 C ATOM 0 H LEU A 88 5.708 11.994 7.964 1.00 0.00 H new ATOM 0 HA LEU A 88 8.268 12.157 9.296 1.00 0.00 H new ATOM 0 HB2 LEU A 88 7.203 12.556 6.511 1.00 0.00 H new ATOM 0 HB3 LEU A 88 8.763 13.241 6.920 1.00 0.00 H new ATOM 0 HG LEU A 88 9.571 10.973 7.565 1.00 0.00 H new ATOM 0 HD11 LEU A 88 8.249 9.011 6.936 1.00 0.00 H new ATOM 0 HD12 LEU A 88 7.431 9.980 8.186 1.00 0.00 H new ATOM 0 HD13 LEU A 88 6.886 10.068 6.494 1.00 0.00 H new ATOM 0 HD21 LEU A 88 9.698 10.127 5.253 1.00 0.00 H new ATOM 0 HD22 LEU A 88 8.382 11.229 4.781 1.00 0.00 H new ATOM 0 HD23 LEU A 88 9.945 11.888 5.316 1.00 0.00 H new ATOM 1318 N MET A 89 7.686 14.501 10.197 1.00 0.00 N ATOM 1319 CA MET A 89 7.693 15.898 10.616 1.00 0.00 C ATOM 1320 C MET A 89 9.119 16.428 10.727 1.00 0.00 C ATOM 1321 O MET A 89 9.283 17.599 11.129 1.00 0.00 O ATOM 1322 CB MET A 89 6.973 16.055 11.956 1.00 0.00 C ATOM 1323 CG MET A 89 5.494 15.710 11.897 1.00 0.00 C ATOM 1324 SD MET A 89 4.889 14.976 13.429 1.00 0.00 S ATOM 1325 CE MET A 89 6.007 13.587 13.606 1.00 0.00 C ATOM 1326 OXT MET A 89 10.058 15.667 10.416 1.00 0.00 O ATOM 0 H MET A 89 7.761 13.831 10.962 1.00 0.00 H new ATOM 0 HA MET A 89 7.167 16.479 9.858 1.00 0.00 H new ATOM 0 HB2 MET A 89 7.457 15.417 12.696 1.00 0.00 H new ATOM 0 HB3 MET A 89 7.084 17.083 12.300 1.00 0.00 H new ATOM 0 HG2 MET A 89 4.923 16.613 11.681 1.00 0.00 H new ATOM 0 HG3 MET A 89 5.319 15.018 11.073 1.00 0.00 H new ATOM 0 HE1 MET A 89 5.432 12.664 13.682 1.00 0.00 H new ATOM 0 HE2 MET A 89 6.663 13.535 12.737 1.00 0.00 H new ATOM 0 HE3 MET A 89 6.607 13.716 14.507 1.00 0.00 H new TER 1336 MET A 89