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 Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -138:sc= 0.984 (180deg=0.0318) USER MOD Single : A 7 THR OG1 : rot 180:sc= -1.27 USER MOD Single : A 9 LYS NZ :NH3+ -149:sc= 0.737 (180deg=0.202) USER MOD Single : A 11 MET CE :methyl 168:sc= -1.58 (180deg=-2.11!) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.129) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 GLN : amide:sc= -6! C(o=-6!,f=-12!) USER MOD Single : A 34 THR OG1 : rot -60:sc= -1.79! USER MOD Single : A 37 HIS : no HD1:sc= -5.55! C(o=-5.5!,f=-8!) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 ASN : amide:sc= -7.99! C(o=-8!,f=-6!) USER MOD Single : A 54 MET CE :methyl 167:sc= 0 (180deg=-0.264) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot -92:sc= -2.07 USER MOD Single : A 79 ASN : amide:sc= -3.34! K(o=-3.3!,f=-1.1) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 MET CE :methyl -122:sc= -0.499 (180deg=-2.83) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 13.232 15.994 5.830 1.00 0.00 N ATOM 2 CA MET A 1 11.819 15.546 5.713 1.00 0.00 C ATOM 3 C MET A 1 10.851 16.630 6.179 1.00 0.00 C ATOM 4 O MET A 1 11.258 17.632 6.767 1.00 0.00 O ATOM 5 CB MET A 1 11.640 14.281 6.557 1.00 0.00 C ATOM 6 CG MET A 1 11.836 14.511 8.047 1.00 0.00 C ATOM 7 SD MET A 1 13.552 14.305 8.562 1.00 0.00 S ATOM 8 CE MET A 1 13.358 13.183 9.945 1.00 0.00 C ATOM 0 H1 MET A 1 13.762 15.697 4.986 1.00 0.00 H new ATOM 0 H2 MET A 1 13.262 17.030 5.910 1.00 0.00 H new ATOM 0 H3 MET A 1 13.662 15.569 6.676 1.00 0.00 H new ATOM 0 HA MET A 1 11.596 15.339 4.666 1.00 0.00 H new ATOM 0 HB2 MET A 1 10.641 13.880 6.388 1.00 0.00 H new ATOM 0 HB3 MET A 1 12.348 13.525 6.218 1.00 0.00 H new ATOM 0 HG2 MET A 1 11.502 15.517 8.302 1.00 0.00 H new ATOM 0 HG3 MET A 1 11.208 13.816 8.604 1.00 0.00 H new ATOM 0 HE1 MET A 1 14.336 12.959 10.372 1.00 0.00 H new ATOM 0 HE2 MET A 1 12.728 13.647 10.704 1.00 0.00 H new ATOM 0 HE3 MET A 1 12.892 12.259 9.602 1.00 0.00 H new ATOM 20 N GLY A 2 9.568 16.416 5.910 1.00 0.00 N ATOM 21 CA GLY A 2 8.548 17.372 6.303 1.00 0.00 C ATOM 22 C GLY A 2 7.183 16.994 5.761 1.00 0.00 C ATOM 23 O GLY A 2 6.190 17.672 6.020 1.00 0.00 O ATOM 0 H GLY A 2 9.214 15.592 5.424 1.00 0.00 H new ATOM 0 HA2 GLY A 2 8.504 17.430 7.391 1.00 0.00 H new ATOM 0 HA3 GLY A 2 8.821 18.364 5.942 1.00 0.00 H new ATOM 27 N ASP A 3 7.157 15.944 4.945 1.00 0.00 N ATOM 28 CA ASP A 3 5.918 15.456 4.347 1.00 0.00 C ATOM 29 C ASP A 3 5.302 14.329 5.171 1.00 0.00 C ATOM 30 O ASP A 3 5.963 13.724 6.016 1.00 0.00 O ATOM 31 CB ASP A 3 6.170 14.971 2.918 1.00 0.00 C ATOM 32 CG ASP A 3 6.095 16.096 1.903 1.00 0.00 C ATOM 33 OD1 ASP A 3 5.628 17.196 2.267 1.00 0.00 O ATOM 34 OD2 ASP A 3 6.499 15.874 0.743 1.00 0.00 O ATOM 0 H ASP A 3 7.986 15.412 4.681 1.00 0.00 H new ATOM 0 HA ASP A 3 5.214 16.288 4.329 1.00 0.00 H new ATOM 0 HB2 ASP A 3 7.153 14.502 2.864 1.00 0.00 H new ATOM 0 HB3 ASP A 3 5.437 14.206 2.663 1.00 0.00 H new ATOM 39 N VAL A 4 4.034 14.039 4.900 1.00 0.00 N ATOM 40 CA VAL A 4 3.335 12.956 5.575 1.00 0.00 C ATOM 41 C VAL A 4 3.253 11.731 4.659 1.00 0.00 C ATOM 42 O VAL A 4 2.709 11.803 3.560 1.00 0.00 O ATOM 43 CB VAL A 4 1.923 13.411 6.017 1.00 0.00 C ATOM 44 CG1 VAL A 4 0.876 12.336 5.780 1.00 0.00 C ATOM 45 CG2 VAL A 4 1.938 13.831 7.479 1.00 0.00 C ATOM 0 H VAL A 4 3.469 14.542 4.215 1.00 0.00 H new ATOM 0 HA VAL A 4 3.894 12.681 6.469 1.00 0.00 H new ATOM 0 HB VAL A 4 1.648 14.268 5.403 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -0.099 12.700 6.105 1.00 0.00 H new ATOM 0 HG12 VAL A 4 0.837 12.094 4.718 1.00 0.00 H new ATOM 0 HG13 VAL A 4 1.137 11.442 6.347 1.00 0.00 H new ATOM 0 HG21 VAL A 4 0.939 14.149 7.777 1.00 0.00 H new ATOM 0 HG22 VAL A 4 2.250 12.989 8.096 1.00 0.00 H new ATOM 0 HG23 VAL A 4 2.636 14.657 7.613 1.00 0.00 H new ATOM 55 N VAL A 5 3.830 10.618 5.095 1.00 0.00 N ATOM 56 CA VAL A 5 3.827 9.401 4.288 1.00 0.00 C ATOM 57 C VAL A 5 2.908 8.337 4.884 1.00 0.00 C ATOM 58 O VAL A 5 3.126 7.874 6.001 1.00 0.00 O ATOM 59 CB VAL A 5 5.249 8.818 4.135 1.00 0.00 C ATOM 60 CG1 VAL A 5 5.198 7.371 3.666 1.00 0.00 C ATOM 61 CG2 VAL A 5 6.062 9.662 3.167 1.00 0.00 C ATOM 0 H VAL A 5 4.303 10.531 5.995 1.00 0.00 H new ATOM 0 HA VAL A 5 3.453 9.682 3.304 1.00 0.00 H new ATOM 0 HB VAL A 5 5.733 8.839 5.111 1.00 0.00 H new ATOM 0 HG11 VAL A 5 6.212 6.985 3.566 1.00 0.00 H new ATOM 0 HG12 VAL A 5 4.651 6.772 4.394 1.00 0.00 H new ATOM 0 HG13 VAL A 5 4.694 7.319 2.701 1.00 0.00 H new ATOM 0 HG21 VAL A 5 7.062 9.240 3.068 1.00 0.00 H new ATOM 0 HG22 VAL A 5 5.574 9.670 2.193 1.00 0.00 H new ATOM 0 HG23 VAL A 5 6.134 10.682 3.545 1.00 0.00 H new ATOM 71 N ALA A 6 1.894 7.938 4.122 1.00 0.00 N ATOM 72 CA ALA A 6 0.979 6.889 4.556 1.00 0.00 C ATOM 73 C ALA A 6 1.433 5.547 3.998 1.00 0.00 C ATOM 74 O ALA A 6 1.969 5.483 2.893 1.00 0.00 O ATOM 75 CB ALA A 6 -0.443 7.201 4.116 1.00 0.00 C ATOM 0 H ALA A 6 1.686 8.325 3.202 1.00 0.00 H new ATOM 0 HA ALA A 6 0.990 6.840 5.645 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -1.110 6.406 4.450 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -0.760 8.148 4.553 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -0.480 7.273 3.029 1.00 0.00 H new ATOM 81 N THR A 7 1.236 4.476 4.761 1.00 0.00 N ATOM 82 CA THR A 7 1.689 3.160 4.325 1.00 0.00 C ATOM 83 C THR A 7 0.552 2.143 4.265 1.00 0.00 C ATOM 84 O THR A 7 -0.242 2.000 5.206 1.00 0.00 O ATOM 85 CB THR A 7 2.799 2.650 5.238 1.00 0.00 C ATOM 86 OG1 THR A 7 3.768 3.659 5.462 1.00 0.00 O ATOM 87 CG2 THR A 7 3.512 1.437 4.681 1.00 0.00 C ATOM 0 H THR A 7 0.773 4.492 5.670 1.00 0.00 H new ATOM 0 HA THR A 7 2.075 3.276 3.312 1.00 0.00 H new ATOM 0 HB THR A 7 2.307 2.368 6.169 1.00 0.00 H new ATOM 0 HG1 THR A 7 4.470 3.313 6.051 1.00 0.00 H new ATOM 0 HG21 THR A 7 4.290 1.122 5.376 1.00 0.00 H new ATOM 0 HG22 THR A 7 2.797 0.626 4.544 1.00 0.00 H new ATOM 0 HG23 THR A 7 3.963 1.689 3.721 1.00 0.00 H new ATOM 95 N ILE A 8 0.526 1.412 3.154 1.00 0.00 N ATOM 96 CA ILE A 8 -0.483 0.394 2.894 1.00 0.00 C ATOM 97 C ILE A 8 0.182 -0.964 2.637 1.00 0.00 C ATOM 98 O ILE A 8 0.799 -1.168 1.593 1.00 0.00 O ATOM 99 CB ILE A 8 -1.330 0.793 1.669 1.00 0.00 C ATOM 100 CG1 ILE A 8 -1.706 2.281 1.738 1.00 0.00 C ATOM 101 CG2 ILE A 8 -2.565 -0.074 1.573 1.00 0.00 C ATOM 102 CD1 ILE A 8 -2.852 2.590 2.682 1.00 0.00 C ATOM 0 H ILE A 8 1.210 1.512 2.404 1.00 0.00 H new ATOM 0 HA ILE A 8 -1.127 0.313 3.769 1.00 0.00 H new ATOM 0 HB ILE A 8 -0.736 0.635 0.769 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -0.831 2.851 2.049 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -1.971 2.624 0.738 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -3.151 0.222 0.703 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -2.269 -1.118 1.473 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -3.167 0.049 2.474 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -3.053 3.661 2.671 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -3.743 2.050 2.362 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -2.584 2.281 3.692 1.00 0.00 H new ATOM 114 N LYS A 9 0.121 -1.861 3.624 1.00 0.00 N ATOM 115 CA LYS A 9 0.772 -3.172 3.518 1.00 0.00 C ATOM 116 C LYS A 9 -0.196 -4.253 3.050 1.00 0.00 C ATOM 117 O LYS A 9 -0.952 -4.806 3.843 1.00 0.00 O ATOM 118 CB LYS A 9 1.371 -3.575 4.862 1.00 0.00 C ATOM 119 CG LYS A 9 1.484 -2.432 5.862 1.00 0.00 C ATOM 120 CD LYS A 9 2.929 -2.076 6.145 1.00 0.00 C ATOM 121 CE LYS A 9 3.583 -3.083 7.077 1.00 0.00 C ATOM 122 NZ LYS A 9 3.292 -2.787 8.507 1.00 0.00 N ATOM 0 H LYS A 9 -0.371 -1.706 4.504 1.00 0.00 H new ATOM 0 HA LYS A 9 1.562 -3.080 2.773 1.00 0.00 H new ATOM 0 HB2 LYS A 9 0.759 -4.365 5.298 1.00 0.00 H new ATOM 0 HB3 LYS A 9 2.363 -3.995 4.694 1.00 0.00 H new ATOM 0 HG2 LYS A 9 0.963 -1.557 5.475 1.00 0.00 H new ATOM 0 HG3 LYS A 9 0.989 -2.712 6.792 1.00 0.00 H new ATOM 0 HD2 LYS A 9 3.484 -2.034 5.208 1.00 0.00 H new ATOM 0 HD3 LYS A 9 2.979 -1.082 6.590 1.00 0.00 H new ATOM 0 HE2 LYS A 9 3.229 -4.085 6.834 1.00 0.00 H new ATOM 0 HE3 LYS A 9 4.661 -3.078 6.917 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 4.093 -3.095 9.095 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 3.147 -1.764 8.627 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 2.433 -3.295 8.799 1.00 0.00 H new ATOM 136 N VAL A 10 -0.165 -4.556 1.760 1.00 0.00 N ATOM 137 CA VAL A 10 -1.077 -5.544 1.181 1.00 0.00 C ATOM 138 C VAL A 10 -0.429 -6.926 1.081 1.00 0.00 C ATOM 139 O VAL A 10 0.742 -7.047 0.725 1.00 0.00 O ATOM 140 CB VAL A 10 -1.587 -5.085 -0.213 1.00 0.00 C ATOM 141 CG1 VAL A 10 -1.283 -3.608 -0.433 1.00 0.00 C ATOM 142 CG2 VAL A 10 -0.994 -5.923 -1.338 1.00 0.00 C ATOM 0 H VAL A 10 0.480 -4.135 1.091 1.00 0.00 H new ATOM 0 HA VAL A 10 -1.930 -5.623 1.855 1.00 0.00 H new ATOM 0 HB VAL A 10 -2.667 -5.231 -0.230 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -1.647 -3.304 -1.414 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -1.778 -3.016 0.337 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -0.206 -3.446 -0.379 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -1.376 -5.569 -2.296 1.00 0.00 H new ATOM 0 HG22 VAL A 10 0.092 -5.833 -1.325 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -1.273 -6.968 -1.200 1.00 0.00 H new ATOM 152 N MET A 11 -1.195 -7.970 1.410 1.00 0.00 N ATOM 153 CA MET A 11 -0.683 -9.338 1.347 1.00 0.00 C ATOM 154 C MET A 11 -1.784 -10.346 0.967 1.00 0.00 C ATOM 155 O MET A 11 -2.805 -10.470 1.656 1.00 0.00 O ATOM 156 CB MET A 11 -0.022 -9.721 2.685 1.00 0.00 C ATOM 157 CG MET A 11 -0.975 -10.277 3.734 1.00 0.00 C ATOM 158 SD MET A 11 -0.227 -11.572 4.739 1.00 0.00 S ATOM 159 CE MET A 11 -0.551 -13.014 3.730 1.00 0.00 C ATOM 0 H MET A 11 -2.164 -7.894 1.720 1.00 0.00 H new ATOM 0 HA MET A 11 0.070 -9.377 0.560 1.00 0.00 H new ATOM 0 HB2 MET A 11 0.754 -10.461 2.491 1.00 0.00 H new ATOM 0 HB3 MET A 11 0.473 -8.840 3.095 1.00 0.00 H new ATOM 0 HG2 MET A 11 -1.308 -9.466 4.382 1.00 0.00 H new ATOM 0 HG3 MET A 11 -1.862 -10.674 3.239 1.00 0.00 H new ATOM 0 HE1 MET A 11 0.029 -13.858 4.104 1.00 0.00 H new ATOM 0 HE2 MET A 11 -1.613 -13.257 3.772 1.00 0.00 H new ATOM 0 HE3 MET A 11 -0.267 -12.807 2.698 1.00 0.00 H new ATOM 169 N PRO A 12 -1.584 -11.082 -0.146 1.00 0.00 N ATOM 170 CA PRO A 12 -2.534 -12.097 -0.626 1.00 0.00 C ATOM 171 C PRO A 12 -2.611 -13.301 0.308 1.00 0.00 C ATOM 172 O PRO A 12 -1.591 -13.894 0.659 1.00 0.00 O ATOM 173 CB PRO A 12 -1.965 -12.520 -1.990 1.00 0.00 C ATOM 174 CG PRO A 12 -0.995 -11.448 -2.346 1.00 0.00 C ATOM 175 CD PRO A 12 -0.427 -10.975 -1.040 1.00 0.00 C ATOM 0 HA PRO A 12 -3.549 -11.704 -0.680 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -1.476 -13.492 -1.930 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -2.753 -12.605 -2.738 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -0.211 -11.829 -3.000 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -1.487 -10.634 -2.878 1.00 0.00 H new ATOM 0 HD2 PRO A 12 0.404 -11.597 -0.708 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -0.054 -9.953 -1.104 1.00 0.00 H new ATOM 183 N GLU A 13 -3.825 -13.640 0.722 1.00 0.00 N ATOM 184 CA GLU A 13 -4.053 -14.768 1.620 1.00 0.00 C ATOM 185 C GLU A 13 -3.533 -16.071 1.022 1.00 0.00 C ATOM 186 O GLU A 13 -3.115 -16.973 1.746 1.00 0.00 O ATOM 187 CB GLU A 13 -5.542 -14.900 1.939 1.00 0.00 C ATOM 188 CG GLU A 13 -5.876 -14.624 3.397 1.00 0.00 C ATOM 189 CD GLU A 13 -5.565 -15.803 4.299 1.00 0.00 C ATOM 190 OE1 GLU A 13 -4.398 -15.932 4.725 1.00 0.00 O ATOM 191 OE2 GLU A 13 -6.488 -16.597 4.579 1.00 0.00 O ATOM 0 H GLU A 13 -4.674 -13.146 0.448 1.00 0.00 H new ATOM 0 HA GLU A 13 -3.503 -14.574 2.541 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -6.103 -14.210 1.309 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -5.873 -15.907 1.683 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -5.314 -13.754 3.736 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -6.934 -14.374 3.483 1.00 0.00 H new ATOM 198 N SER A 14 -3.594 -16.175 -0.302 1.00 0.00 N ATOM 199 CA SER A 14 -3.134 -17.374 -0.994 1.00 0.00 C ATOM 200 C SER A 14 -1.610 -17.402 -1.082 1.00 0.00 C ATOM 201 O SER A 14 -0.971 -16.356 -1.200 1.00 0.00 O ATOM 202 CB SER A 14 -3.737 -17.437 -2.399 1.00 0.00 C ATOM 203 OG SER A 14 -5.129 -17.695 -2.347 1.00 0.00 O ATOM 0 H SER A 14 -3.957 -15.445 -0.916 1.00 0.00 H new ATOM 0 HA SER A 14 -3.463 -18.242 -0.423 1.00 0.00 H new ATOM 0 HB2 SER A 14 -3.558 -16.495 -2.917 1.00 0.00 H new ATOM 0 HB3 SER A 14 -3.241 -18.217 -2.976 1.00 0.00 H new ATOM 0 HG SER A 14 -5.490 -17.729 -3.258 1.00 0.00 H new ATOM 209 N PRO A 15 -1.003 -18.603 -1.035 1.00 0.00 N ATOM 210 CA PRO A 15 0.455 -18.752 -1.128 1.00 0.00 C ATOM 211 C PRO A 15 0.985 -18.301 -2.485 1.00 0.00 C ATOM 212 O PRO A 15 2.195 -18.253 -2.707 1.00 0.00 O ATOM 213 CB PRO A 15 0.683 -20.253 -0.932 1.00 0.00 C ATOM 214 CG PRO A 15 -0.616 -20.890 -1.294 1.00 0.00 C ATOM 215 CD PRO A 15 -1.682 -19.905 -0.903 1.00 0.00 C ATOM 0 HA PRO A 15 0.977 -18.139 -0.394 1.00 0.00 H new ATOM 0 HB2 PRO A 15 1.491 -20.616 -1.567 1.00 0.00 H new ATOM 0 HB3 PRO A 15 0.960 -20.479 0.098 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -0.659 -21.109 -2.361 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -0.747 -21.836 -0.769 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -2.552 -19.973 -1.556 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -2.033 -20.075 0.115 1.00 0.00 H new ATOM 223 N ASP A 16 0.065 -17.993 -3.394 1.00 0.00 N ATOM 224 CA ASP A 16 0.426 -17.517 -4.725 1.00 0.00 C ATOM 225 C ASP A 16 0.480 -15.996 -4.739 1.00 0.00 C ATOM 226 O ASP A 16 0.041 -15.354 -5.694 1.00 0.00 O ATOM 227 CB ASP A 16 -0.578 -18.021 -5.763 1.00 0.00 C ATOM 228 CG ASP A 16 0.033 -18.154 -7.144 1.00 0.00 C ATOM 229 OD1 ASP A 16 1.254 -18.404 -7.232 1.00 0.00 O ATOM 230 OD2 ASP A 16 -0.709 -18.006 -8.138 1.00 0.00 O ATOM 0 H ASP A 16 -0.940 -18.065 -3.232 1.00 0.00 H new ATOM 0 HA ASP A 16 1.411 -17.907 -4.980 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -0.968 -18.989 -5.447 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -1.424 -17.336 -5.808 1.00 0.00 H new ATOM 235 N VAL A 17 0.994 -15.429 -3.654 1.00 0.00 N ATOM 236 CA VAL A 17 1.082 -13.982 -3.509 1.00 0.00 C ATOM 237 C VAL A 17 2.096 -13.398 -4.501 1.00 0.00 C ATOM 238 O VAL A 17 3.293 -13.295 -4.227 1.00 0.00 O ATOM 239 CB VAL A 17 1.386 -13.565 -2.038 1.00 0.00 C ATOM 240 CG1 VAL A 17 1.819 -14.758 -1.209 1.00 0.00 C ATOM 241 CG2 VAL A 17 2.403 -12.434 -1.934 1.00 0.00 C ATOM 0 H VAL A 17 1.358 -15.953 -2.858 1.00 0.00 H new ATOM 0 HA VAL A 17 0.107 -13.559 -3.751 1.00 0.00 H new ATOM 0 HB VAL A 17 0.451 -13.179 -1.632 1.00 0.00 H new ATOM 0 HG11 VAL A 17 2.024 -14.436 -0.188 1.00 0.00 H new ATOM 0 HG12 VAL A 17 1.024 -15.504 -1.202 1.00 0.00 H new ATOM 0 HG13 VAL A 17 2.721 -15.193 -1.640 1.00 0.00 H new ATOM 0 HG21 VAL A 17 2.571 -12.191 -0.885 1.00 0.00 H new ATOM 0 HG22 VAL A 17 3.343 -12.747 -2.389 1.00 0.00 H new ATOM 0 HG23 VAL A 17 2.023 -11.554 -2.454 1.00 0.00 H new ATOM 251 N ASP A 18 1.610 -13.131 -5.707 1.00 0.00 N ATOM 252 CA ASP A 18 2.429 -12.532 -6.753 1.00 0.00 C ATOM 253 C ASP A 18 2.679 -11.061 -6.443 1.00 0.00 C ATOM 254 O ASP A 18 1.824 -10.213 -6.694 1.00 0.00 O ATOM 255 CB ASP A 18 1.744 -12.673 -8.114 1.00 0.00 C ATOM 256 CG ASP A 18 1.225 -14.075 -8.358 1.00 0.00 C ATOM 257 OD1 ASP A 18 1.989 -15.039 -8.140 1.00 0.00 O ATOM 258 OD2 ASP A 18 0.054 -14.211 -8.772 1.00 0.00 O ATOM 0 H ASP A 18 0.647 -13.321 -5.986 1.00 0.00 H new ATOM 0 HA ASP A 18 3.385 -13.054 -6.789 1.00 0.00 H new ATOM 0 HB2 ASP A 18 0.916 -11.966 -8.176 1.00 0.00 H new ATOM 0 HB3 ASP A 18 2.449 -12.408 -8.902 1.00 0.00 H new ATOM 263 N LEU A 19 3.825 -10.770 -5.841 1.00 0.00 N ATOM 264 CA LEU A 19 4.165 -9.403 -5.460 1.00 0.00 C ATOM 265 C LEU A 19 4.300 -8.495 -6.681 1.00 0.00 C ATOM 266 O LEU A 19 3.806 -7.368 -6.677 1.00 0.00 O ATOM 267 CB LEU A 19 5.453 -9.389 -4.627 1.00 0.00 C ATOM 268 CG LEU A 19 6.751 -9.178 -5.410 1.00 0.00 C ATOM 269 CD1 LEU A 19 7.377 -7.841 -5.048 1.00 0.00 C ATOM 270 CD2 LEU A 19 7.725 -10.315 -5.144 1.00 0.00 C ATOM 0 H LEU A 19 4.536 -11.462 -5.605 1.00 0.00 H new ATOM 0 HA LEU A 19 3.349 -9.012 -4.853 1.00 0.00 H new ATOM 0 HB2 LEU A 19 5.370 -8.601 -3.878 1.00 0.00 H new ATOM 0 HB3 LEU A 19 5.525 -10.334 -4.089 1.00 0.00 H new ATOM 0 HG LEU A 19 6.516 -9.171 -6.474 1.00 0.00 H new ATOM 0 HD11 LEU A 19 8.299 -7.706 -5.613 1.00 0.00 H new ATOM 0 HD12 LEU A 19 6.682 -7.037 -5.290 1.00 0.00 H new ATOM 0 HD13 LEU A 19 7.599 -7.820 -3.981 1.00 0.00 H new ATOM 0 HD21 LEU A 19 8.642 -10.148 -5.709 1.00 0.00 H new ATOM 0 HD22 LEU A 19 7.957 -10.354 -4.080 1.00 0.00 H new ATOM 0 HD23 LEU A 19 7.275 -11.259 -5.453 1.00 0.00 H new ATOM 282 N GLU A 20 4.924 -9.004 -7.740 1.00 0.00 N ATOM 283 CA GLU A 20 5.125 -8.216 -8.950 1.00 0.00 C ATOM 284 C GLU A 20 3.801 -7.986 -9.657 1.00 0.00 C ATOM 285 O GLU A 20 3.563 -6.918 -10.220 1.00 0.00 O ATOM 286 CB GLU A 20 6.113 -8.913 -9.884 1.00 0.00 C ATOM 287 CG GLU A 20 6.121 -8.358 -11.300 1.00 0.00 C ATOM 288 CD GLU A 20 6.788 -7.000 -11.390 1.00 0.00 C ATOM 289 OE1 GLU A 20 6.099 -5.983 -11.164 1.00 0.00 O ATOM 290 OE2 GLU A 20 8.000 -6.952 -11.685 1.00 0.00 O ATOM 0 H GLU A 20 5.297 -9.952 -7.784 1.00 0.00 H new ATOM 0 HA GLU A 20 5.541 -7.249 -8.667 1.00 0.00 H new ATOM 0 HB2 GLU A 20 7.116 -8.827 -9.465 1.00 0.00 H new ATOM 0 HB3 GLU A 20 5.873 -9.976 -9.922 1.00 0.00 H new ATOM 0 HG2 GLU A 20 6.638 -9.057 -11.957 1.00 0.00 H new ATOM 0 HG3 GLU A 20 5.096 -8.280 -11.661 1.00 0.00 H new ATOM 297 N ALA A 21 2.937 -8.986 -9.614 1.00 0.00 N ATOM 298 CA ALA A 21 1.608 -8.845 -10.188 1.00 0.00 C ATOM 299 C ALA A 21 0.794 -7.882 -9.340 1.00 0.00 C ATOM 300 O ALA A 21 0.005 -7.086 -9.850 1.00 0.00 O ATOM 301 CB ALA A 21 0.915 -10.194 -10.294 1.00 0.00 C ATOM 0 H ALA A 21 3.128 -9.895 -9.193 1.00 0.00 H new ATOM 0 HA ALA A 21 1.697 -8.444 -11.198 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -0.077 -10.061 -10.726 1.00 0.00 H new ATOM 0 HB2 ALA A 21 1.502 -10.856 -10.931 1.00 0.00 H new ATOM 0 HB3 ALA A 21 0.822 -10.634 -9.301 1.00 0.00 H new ATOM 307 N LEU A 22 1.004 -7.972 -8.033 1.00 0.00 N ATOM 308 CA LEU A 22 0.355 -7.086 -7.081 1.00 0.00 C ATOM 309 C LEU A 22 0.884 -5.670 -7.242 1.00 0.00 C ATOM 310 O LEU A 22 0.208 -4.699 -6.910 1.00 0.00 O ATOM 311 CB LEU A 22 0.601 -7.581 -5.654 1.00 0.00 C ATOM 312 CG LEU A 22 -0.656 -7.948 -4.864 1.00 0.00 C ATOM 313 CD1 LEU A 22 -0.282 -8.436 -3.474 1.00 0.00 C ATOM 314 CD2 LEU A 22 -1.605 -6.762 -4.775 1.00 0.00 C ATOM 0 H LEU A 22 1.626 -8.658 -7.607 1.00 0.00 H new ATOM 0 HA LEU A 22 -0.718 -7.084 -7.274 1.00 0.00 H new ATOM 0 HB2 LEU A 22 1.251 -8.455 -5.697 1.00 0.00 H new ATOM 0 HB3 LEU A 22 1.141 -6.808 -5.107 1.00 0.00 H new ATOM 0 HG LEU A 22 -1.168 -8.753 -5.390 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -1.187 -8.694 -2.923 1.00 0.00 H new ATOM 0 HD12 LEU A 22 0.356 -9.316 -3.557 1.00 0.00 H new ATOM 0 HD13 LEU A 22 0.254 -7.649 -2.944 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -2.492 -7.047 -4.209 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -1.105 -5.933 -4.274 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -1.899 -6.455 -5.779 1.00 0.00 H new ATOM 326 N LYS A 23 2.108 -5.573 -7.748 1.00 0.00 N ATOM 327 CA LYS A 23 2.754 -4.289 -7.972 1.00 0.00 C ATOM 328 C LYS A 23 1.891 -3.417 -8.868 1.00 0.00 C ATOM 329 O LYS A 23 1.699 -2.230 -8.602 1.00 0.00 O ATOM 330 CB LYS A 23 4.129 -4.497 -8.615 1.00 0.00 C ATOM 331 CG LYS A 23 5.294 -4.091 -7.726 1.00 0.00 C ATOM 332 CD LYS A 23 6.060 -5.298 -7.216 1.00 0.00 C ATOM 333 CE LYS A 23 7.506 -4.942 -6.918 1.00 0.00 C ATOM 334 NZ LYS A 23 7.615 -3.764 -6.015 1.00 0.00 N ATOM 0 H LYS A 23 2.676 -6.378 -8.013 1.00 0.00 H new ATOM 0 HA LYS A 23 2.883 -3.790 -7.012 1.00 0.00 H new ATOM 0 HB2 LYS A 23 4.238 -5.548 -8.883 1.00 0.00 H new ATOM 0 HB3 LYS A 23 4.176 -3.925 -9.542 1.00 0.00 H new ATOM 0 HG2 LYS A 23 5.968 -3.442 -8.284 1.00 0.00 H new ATOM 0 HG3 LYS A 23 4.922 -3.513 -6.880 1.00 0.00 H new ATOM 0 HD2 LYS A 23 5.583 -5.681 -6.314 1.00 0.00 H new ATOM 0 HD3 LYS A 23 6.024 -6.096 -7.958 1.00 0.00 H new ATOM 0 HE2 LYS A 23 8.003 -5.797 -6.460 1.00 0.00 H new ATOM 0 HE3 LYS A 23 8.028 -4.733 -7.852 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 8.590 -3.687 -5.661 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 7.368 -2.901 -6.539 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 6.964 -3.880 -5.213 1.00 0.00 H new ATOM 348 N LYS A 24 1.361 -4.021 -9.925 1.00 0.00 N ATOM 349 CA LYS A 24 0.496 -3.308 -10.851 1.00 0.00 C ATOM 350 C LYS A 24 -0.800 -2.898 -10.161 1.00 0.00 C ATOM 351 O LYS A 24 -1.264 -1.767 -10.311 1.00 0.00 O ATOM 352 CB LYS A 24 0.182 -4.175 -12.074 1.00 0.00 C ATOM 353 CG LYS A 24 1.265 -5.190 -12.402 1.00 0.00 C ATOM 354 CD LYS A 24 1.148 -5.686 -13.834 1.00 0.00 C ATOM 355 CE LYS A 24 0.664 -7.126 -13.887 1.00 0.00 C ATOM 356 NZ LYS A 24 -0.492 -7.291 -14.810 1.00 0.00 N ATOM 0 H LYS A 24 1.516 -5.001 -10.160 1.00 0.00 H new ATOM 0 HA LYS A 24 1.020 -2.411 -11.182 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -0.757 -4.702 -11.903 1.00 0.00 H new ATOM 0 HB3 LYS A 24 0.031 -3.527 -12.938 1.00 0.00 H new ATOM 0 HG2 LYS A 24 2.246 -4.739 -12.251 1.00 0.00 H new ATOM 0 HG3 LYS A 24 1.194 -6.034 -11.716 1.00 0.00 H new ATOM 0 HD2 LYS A 24 0.457 -5.048 -14.386 1.00 0.00 H new ATOM 0 HD3 LYS A 24 2.117 -5.608 -14.327 1.00 0.00 H new ATOM 0 HE2 LYS A 24 1.481 -7.772 -14.210 1.00 0.00 H new ATOM 0 HE3 LYS A 24 0.378 -7.450 -12.886 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -0.791 -8.287 -14.817 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -1.281 -6.695 -14.488 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -0.213 -7.007 -15.771 1.00 0.00 H new ATOM 370 N GLU A 25 -1.382 -3.829 -9.407 1.00 0.00 N ATOM 371 CA GLU A 25 -2.627 -3.558 -8.697 1.00 0.00 C ATOM 372 C GLU A 25 -2.411 -2.492 -7.634 1.00 0.00 C ATOM 373 O GLU A 25 -3.322 -1.748 -7.277 1.00 0.00 O ATOM 374 CB GLU A 25 -3.161 -4.839 -8.053 1.00 0.00 C ATOM 375 CG GLU A 25 -3.283 -6.002 -9.023 1.00 0.00 C ATOM 376 CD GLU A 25 -3.748 -7.278 -8.348 1.00 0.00 C ATOM 377 OE1 GLU A 25 -3.046 -7.753 -7.430 1.00 0.00 O ATOM 378 OE2 GLU A 25 -4.813 -7.802 -8.737 1.00 0.00 O ATOM 0 H GLU A 25 -1.013 -4.771 -9.273 1.00 0.00 H new ATOM 0 HA GLU A 25 -3.361 -3.192 -9.415 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -2.501 -5.127 -7.235 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -4.139 -4.636 -7.617 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -3.984 -5.738 -9.815 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -2.318 -6.177 -9.498 1.00 0.00 H new ATOM 385 N ILE A 26 -1.190 -2.428 -7.134 1.00 0.00 N ATOM 386 CA ILE A 26 -0.831 -1.465 -6.109 1.00 0.00 C ATOM 387 C ILE A 26 -1.038 -0.034 -6.593 1.00 0.00 C ATOM 388 O ILE A 26 -1.596 0.797 -5.878 1.00 0.00 O ATOM 389 CB ILE A 26 0.637 -1.657 -5.674 1.00 0.00 C ATOM 390 CG1 ILE A 26 0.710 -2.626 -4.494 1.00 0.00 C ATOM 391 CG2 ILE A 26 1.281 -0.325 -5.317 1.00 0.00 C ATOM 392 CD1 ILE A 26 1.975 -3.453 -4.472 1.00 0.00 C ATOM 0 H ILE A 26 -0.425 -3.037 -7.424 1.00 0.00 H new ATOM 0 HA ILE A 26 -1.485 -1.638 -5.255 1.00 0.00 H new ATOM 0 HB ILE A 26 1.192 -2.080 -6.511 1.00 0.00 H new ATOM 0 HG12 ILE A 26 0.638 -2.061 -3.565 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -0.151 -3.294 -4.528 1.00 0.00 H new ATOM 0 HG21 ILE A 26 2.315 -0.490 -5.014 1.00 0.00 H new ATOM 0 HG22 ILE A 26 1.258 0.334 -6.185 1.00 0.00 H new ATOM 0 HG23 ILE A 26 0.732 0.136 -4.496 1.00 0.00 H new ATOM 0 HD11 ILE A 26 1.960 -4.118 -3.609 1.00 0.00 H new ATOM 0 HD12 ILE A 26 2.039 -4.045 -5.385 1.00 0.00 H new ATOM 0 HD13 ILE A 26 2.840 -2.793 -4.406 1.00 0.00 H new ATOM 404 N GLN A 27 -0.513 0.268 -7.774 1.00 0.00 N ATOM 405 CA GLN A 27 -0.611 1.612 -8.326 1.00 0.00 C ATOM 406 C GLN A 27 -2.056 1.989 -8.622 1.00 0.00 C ATOM 407 O GLN A 27 -2.429 3.159 -8.534 1.00 0.00 O ATOM 408 CB GLN A 27 0.243 1.732 -9.589 1.00 0.00 C ATOM 409 CG GLN A 27 1.658 1.200 -9.419 1.00 0.00 C ATOM 410 CD GLN A 27 2.449 1.932 -8.351 1.00 0.00 C ATOM 411 OE1 GLN A 27 2.060 1.967 -7.183 1.00 0.00 O ATOM 412 NE2 GLN A 27 3.577 2.510 -8.745 1.00 0.00 N ATOM 0 H GLN A 27 -0.017 -0.398 -8.366 1.00 0.00 H new ATOM 0 HA GLN A 27 -0.233 2.309 -7.578 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -0.245 1.191 -10.400 1.00 0.00 H new ATOM 0 HB3 GLN A 27 0.291 2.779 -9.887 1.00 0.00 H new ATOM 0 HG2 GLN A 27 1.613 0.141 -9.166 1.00 0.00 H new ATOM 0 HG3 GLN A 27 2.185 1.278 -10.370 1.00 0.00 H new ATOM 0 HE21 GLN A 27 3.863 2.457 -9.723 1.00 0.00 H new ATOM 0 HE22 GLN A 27 4.158 3.007 -8.070 1.00 0.00 H new ATOM 421 N GLU A 28 -2.858 1.002 -9.004 1.00 0.00 N ATOM 422 CA GLU A 28 -4.263 1.248 -9.305 1.00 0.00 C ATOM 423 C GLU A 28 -5.070 1.409 -8.022 1.00 0.00 C ATOM 424 O GLU A 28 -6.157 1.987 -8.027 1.00 0.00 O ATOM 425 CB GLU A 28 -4.836 0.116 -10.162 1.00 0.00 C ATOM 426 CG GLU A 28 -5.128 -1.155 -9.386 1.00 0.00 C ATOM 427 CD GLU A 28 -5.883 -2.183 -10.207 1.00 0.00 C ATOM 428 OE1 GLU A 28 -5.514 -2.393 -11.381 1.00 0.00 O ATOM 429 OE2 GLU A 28 -6.844 -2.777 -9.674 1.00 0.00 O ATOM 0 H GLU A 28 -2.563 0.032 -9.112 1.00 0.00 H new ATOM 0 HA GLU A 28 -4.333 2.177 -9.871 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -5.756 0.461 -10.635 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -4.132 -0.112 -10.963 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -4.189 -1.589 -9.042 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -5.709 -0.908 -8.498 1.00 0.00 H new ATOM 436 N ARG A 29 -4.530 0.887 -6.923 1.00 0.00 N ATOM 437 CA ARG A 29 -5.197 0.973 -5.630 1.00 0.00 C ATOM 438 C ARG A 29 -4.773 2.235 -4.877 1.00 0.00 C ATOM 439 O ARG A 29 -5.384 2.605 -3.875 1.00 0.00 O ATOM 440 CB ARG A 29 -4.906 -0.285 -4.803 1.00 0.00 C ATOM 441 CG ARG A 29 -3.655 -0.192 -3.946 1.00 0.00 C ATOM 442 CD ARG A 29 -3.892 -0.743 -2.548 1.00 0.00 C ATOM 443 NE ARG A 29 -3.663 0.267 -1.519 1.00 0.00 N ATOM 444 CZ ARG A 29 -4.587 1.141 -1.128 1.00 0.00 C ATOM 445 NH1 ARG A 29 -5.794 1.128 -1.675 1.00 0.00 N ATOM 446 NH2 ARG A 29 -4.305 2.029 -0.186 1.00 0.00 N ATOM 0 H ARG A 29 -3.633 0.401 -6.904 1.00 0.00 H new ATOM 0 HA ARG A 29 -6.272 1.036 -5.798 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -5.761 -0.487 -4.158 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -4.808 -1.135 -5.478 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -2.845 -0.744 -4.423 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -3.336 0.848 -3.879 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -4.914 -1.113 -2.472 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -3.232 -1.593 -2.376 1.00 0.00 H new ATOM 0 HE ARG A 29 -2.745 0.305 -1.076 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -6.018 0.446 -2.399 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -6.499 1.800 -1.372 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -3.379 2.043 0.240 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -5.014 2.698 0.113 1.00 0.00 H new ATOM 460 N ILE A 30 -3.724 2.892 -5.371 1.00 0.00 N ATOM 461 CA ILE A 30 -3.220 4.118 -4.750 1.00 0.00 C ATOM 462 C ILE A 30 -4.299 5.200 -4.704 1.00 0.00 C ATOM 463 O ILE A 30 -5.027 5.400 -5.677 1.00 0.00 O ATOM 464 CB ILE A 30 -1.990 4.666 -5.505 1.00 0.00 C ATOM 465 CG1 ILE A 30 -0.804 3.709 -5.359 1.00 0.00 C ATOM 466 CG2 ILE A 30 -1.624 6.062 -5.008 1.00 0.00 C ATOM 467 CD1 ILE A 30 -0.241 3.635 -3.955 1.00 0.00 C ATOM 0 H ILE A 30 -3.207 2.597 -6.199 1.00 0.00 H new ATOM 0 HA ILE A 30 -2.928 3.859 -3.732 1.00 0.00 H new ATOM 0 HB ILE A 30 -2.243 4.742 -6.562 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -1.116 2.711 -5.667 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -0.013 4.021 -6.041 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -0.755 6.427 -5.555 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -2.464 6.738 -5.170 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -1.392 6.020 -3.944 1.00 0.00 H new ATOM 0 HD11 ILE A 30 0.595 2.936 -3.935 1.00 0.00 H new ATOM 0 HD12 ILE A 30 0.104 4.623 -3.649 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -1.016 3.293 -3.270 1.00 0.00 H new ATOM 479 N PRO A 31 -4.398 5.935 -3.579 1.00 0.00 N ATOM 480 CA PRO A 31 -5.373 7.020 -3.419 1.00 0.00 C ATOM 481 C PRO A 31 -5.305 8.036 -4.555 1.00 0.00 C ATOM 482 O PRO A 31 -4.277 8.680 -4.765 1.00 0.00 O ATOM 483 CB PRO A 31 -4.976 7.677 -2.088 1.00 0.00 C ATOM 484 CG PRO A 31 -3.616 7.151 -1.776 1.00 0.00 C ATOM 485 CD PRO A 31 -3.570 5.779 -2.374 1.00 0.00 C ATOM 0 HA PRO A 31 -6.396 6.645 -3.432 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -4.967 8.764 -2.174 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -5.685 7.426 -1.299 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -2.841 7.790 -2.200 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -3.446 7.116 -0.700 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -2.552 5.475 -2.617 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -3.975 5.026 -1.697 1.00 0.00 H new ATOM 493 N GLU A 32 -6.407 8.163 -5.291 1.00 0.00 N ATOM 494 CA GLU A 32 -6.493 9.095 -6.415 1.00 0.00 C ATOM 495 C GLU A 32 -6.257 10.545 -5.987 1.00 0.00 C ATOM 496 O GLU A 32 -6.326 11.457 -6.812 1.00 0.00 O ATOM 497 CB GLU A 32 -7.864 8.976 -7.085 1.00 0.00 C ATOM 498 CG GLU A 32 -7.864 8.090 -8.320 1.00 0.00 C ATOM 499 CD GLU A 32 -9.247 7.924 -8.917 1.00 0.00 C ATOM 500 OE1 GLU A 32 -9.967 8.937 -9.040 1.00 0.00 O ATOM 501 OE2 GLU A 32 -9.612 6.779 -9.261 1.00 0.00 O ATOM 0 H GLU A 32 -7.260 7.628 -5.128 1.00 0.00 H new ATOM 0 HA GLU A 32 -5.705 8.827 -7.119 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -8.578 8.579 -6.364 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -8.211 9.971 -7.362 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -7.198 8.517 -9.069 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -7.464 7.110 -8.060 1.00 0.00 H new ATOM 508 N GLY A 33 -5.989 10.759 -4.702 1.00 0.00 N ATOM 509 CA GLY A 33 -5.785 12.108 -4.203 1.00 0.00 C ATOM 510 C GLY A 33 -4.372 12.617 -4.418 1.00 0.00 C ATOM 511 O GLY A 33 -4.177 13.765 -4.815 1.00 0.00 O ATOM 0 H GLY A 33 -5.910 10.024 -3.999 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -6.486 12.781 -4.697 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -6.015 12.133 -3.138 1.00 0.00 H new ATOM 515 N THR A 34 -3.384 11.770 -4.145 1.00 0.00 N ATOM 516 CA THR A 34 -1.985 12.161 -4.292 1.00 0.00 C ATOM 517 C THR A 34 -1.203 11.124 -5.100 1.00 0.00 C ATOM 518 O THR A 34 -1.705 10.592 -6.090 1.00 0.00 O ATOM 519 CB THR A 34 -1.355 12.357 -2.911 1.00 0.00 C ATOM 520 OG1 THR A 34 -2.360 12.548 -1.932 1.00 0.00 O ATOM 521 CG2 THR A 34 -0.413 13.538 -2.839 1.00 0.00 C ATOM 0 H THR A 34 -3.525 10.813 -3.822 1.00 0.00 H new ATOM 0 HA THR A 34 -1.944 13.103 -4.839 1.00 0.00 H new ATOM 0 HB THR A 34 -0.781 11.450 -2.723 1.00 0.00 H new ATOM 0 HG1 THR A 34 -2.888 13.343 -2.156 1.00 0.00 H new ATOM 0 HG21 THR A 34 -0.004 13.616 -1.832 1.00 0.00 H new ATOM 0 HG22 THR A 34 0.400 13.399 -3.551 1.00 0.00 H new ATOM 0 HG23 THR A 34 -0.956 14.452 -3.082 1.00 0.00 H new ATOM 529 N GLU A 35 0.032 10.842 -4.679 1.00 0.00 N ATOM 530 CA GLU A 35 0.882 9.885 -5.382 1.00 0.00 C ATOM 531 C GLU A 35 1.543 8.915 -4.410 1.00 0.00 C ATOM 532 O GLU A 35 1.509 9.114 -3.196 1.00 0.00 O ATOM 533 CB GLU A 35 1.954 10.623 -6.188 1.00 0.00 C ATOM 534 CG GLU A 35 1.394 11.671 -7.135 1.00 0.00 C ATOM 535 CD GLU A 35 1.899 13.066 -6.825 1.00 0.00 C ATOM 536 OE1 GLU A 35 1.610 13.571 -5.720 1.00 0.00 O ATOM 537 OE2 GLU A 35 2.585 13.655 -7.687 1.00 0.00 O ATOM 0 H GLU A 35 0.463 11.263 -3.856 1.00 0.00 H new ATOM 0 HA GLU A 35 0.250 9.312 -6.060 1.00 0.00 H new ATOM 0 HB2 GLU A 35 2.648 11.103 -5.498 1.00 0.00 H new ATOM 0 HB3 GLU A 35 2.528 9.896 -6.763 1.00 0.00 H new ATOM 0 HG2 GLU A 35 1.662 11.411 -8.159 1.00 0.00 H new ATOM 0 HG3 GLU A 35 0.305 11.662 -7.079 1.00 0.00 H new ATOM 544 N LEU A 36 2.145 7.864 -4.959 1.00 0.00 N ATOM 545 CA LEU A 36 2.806 6.846 -4.148 1.00 0.00 C ATOM 546 C LEU A 36 4.153 7.345 -3.620 1.00 0.00 C ATOM 547 O LEU A 36 4.532 8.492 -3.847 1.00 0.00 O ATOM 548 CB LEU A 36 3.005 5.564 -4.965 1.00 0.00 C ATOM 549 CG LEU A 36 3.357 5.777 -6.441 1.00 0.00 C ATOM 550 CD1 LEU A 36 4.774 5.305 -6.723 1.00 0.00 C ATOM 551 CD2 LEU A 36 2.361 5.053 -7.336 1.00 0.00 C ATOM 0 H LEU A 36 2.189 7.695 -5.964 1.00 0.00 H new ATOM 0 HA LEU A 36 2.165 6.631 -3.293 1.00 0.00 H new ATOM 0 HB2 LEU A 36 3.797 4.976 -4.501 1.00 0.00 H new ATOM 0 HB3 LEU A 36 2.092 4.971 -4.908 1.00 0.00 H new ATOM 0 HG LEU A 36 3.301 6.843 -6.660 1.00 0.00 H new ATOM 0 HD11 LEU A 36 5.008 5.464 -7.776 1.00 0.00 H new ATOM 0 HD12 LEU A 36 5.475 5.869 -6.107 1.00 0.00 H new ATOM 0 HD13 LEU A 36 4.857 4.244 -6.489 1.00 0.00 H new ATOM 0 HD21 LEU A 36 2.626 5.215 -8.381 1.00 0.00 H new ATOM 0 HD22 LEU A 36 2.384 3.985 -7.117 1.00 0.00 H new ATOM 0 HD23 LEU A 36 1.359 5.439 -7.152 1.00 0.00 H new ATOM 563 N HIS A 37 4.851 6.479 -2.886 1.00 0.00 N ATOM 564 CA HIS A 37 6.150 6.817 -2.311 1.00 0.00 C ATOM 565 C HIS A 37 7.178 5.729 -2.596 1.00 0.00 C ATOM 566 O HIS A 37 8.009 5.861 -3.494 1.00 0.00 O ATOM 567 CB HIS A 37 6.020 7.007 -0.801 1.00 0.00 C ATOM 568 CG HIS A 37 7.290 7.437 -0.134 1.00 0.00 C ATOM 569 ND1 HIS A 37 7.622 8.764 -0.004 1.00 0.00 N ATOM 570 CD2 HIS A 37 8.267 6.680 0.422 1.00 0.00 C ATOM 571 CE1 HIS A 37 8.786 8.787 0.621 1.00 0.00 C ATOM 572 NE2 HIS A 37 9.214 7.547 0.898 1.00 0.00 N ATOM 0 H HIS A 37 4.535 5.532 -2.675 1.00 0.00 H new ATOM 0 HA HIS A 37 6.489 7.745 -2.772 1.00 0.00 H new ATOM 0 HB2 HIS A 37 5.247 7.750 -0.603 1.00 0.00 H new ATOM 0 HB3 HIS A 37 5.685 6.071 -0.354 1.00 0.00 H new ATOM 0 HD2 HIS A 37 8.294 5.602 0.479 1.00 0.00 H new ATOM 0 HE1 HIS A 37 9.323 9.689 0.876 1.00 0.00 H new ATOM 0 HE2 HIS A 37 10.081 7.297 1.373 1.00 0.00 H new ATOM 580 N LYS A 38 7.083 4.641 -1.836 1.00 0.00 N ATOM 581 CA LYS A 38 8.002 3.515 -1.965 1.00 0.00 C ATOM 582 C LYS A 38 7.406 2.271 -1.313 1.00 0.00 C ATOM 583 O LYS A 38 6.891 2.333 -0.196 1.00 0.00 O ATOM 584 CB LYS A 38 9.346 3.839 -1.305 1.00 0.00 C ATOM 585 CG LYS A 38 10.303 4.616 -2.195 1.00 0.00 C ATOM 586 CD LYS A 38 10.660 3.838 -3.453 1.00 0.00 C ATOM 587 CE LYS A 38 11.848 4.456 -4.173 1.00 0.00 C ATOM 588 NZ LYS A 38 11.453 5.644 -4.979 1.00 0.00 N ATOM 0 H LYS A 38 6.370 4.516 -1.117 1.00 0.00 H new ATOM 0 HA LYS A 38 8.163 3.327 -3.027 1.00 0.00 H new ATOM 0 HB2 LYS A 38 9.164 4.414 -0.397 1.00 0.00 H new ATOM 0 HB3 LYS A 38 9.824 2.907 -1.002 1.00 0.00 H new ATOM 0 HG2 LYS A 38 9.850 5.568 -2.472 1.00 0.00 H new ATOM 0 HG3 LYS A 38 11.212 4.845 -1.639 1.00 0.00 H new ATOM 0 HD2 LYS A 38 10.890 2.805 -3.190 1.00 0.00 H new ATOM 0 HD3 LYS A 38 9.800 3.813 -4.123 1.00 0.00 H new ATOM 0 HE2 LYS A 38 12.603 4.748 -3.443 1.00 0.00 H new ATOM 0 HE3 LYS A 38 12.305 3.711 -4.824 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 12.291 6.036 -5.454 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 10.751 5.362 -5.693 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 11.040 6.366 -4.354 1.00 0.00 H new ATOM 602 N ILE A 39 7.464 1.147 -2.020 1.00 0.00 N ATOM 603 CA ILE A 39 6.890 -0.098 -1.522 1.00 0.00 C ATOM 604 C ILE A 39 7.922 -0.956 -0.795 1.00 0.00 C ATOM 605 O ILE A 39 9.127 -0.819 -1.011 1.00 0.00 O ATOM 606 CB ILE A 39 6.262 -0.913 -2.664 1.00 0.00 C ATOM 607 CG1 ILE A 39 5.509 0.024 -3.615 1.00 0.00 C ATOM 608 CG2 ILE A 39 5.335 -1.978 -2.096 1.00 0.00 C ATOM 609 CD1 ILE A 39 4.556 -0.682 -4.553 1.00 0.00 C ATOM 0 H ILE A 39 7.902 1.073 -2.938 1.00 0.00 H new ATOM 0 HA ILE A 39 6.115 0.182 -0.809 1.00 0.00 H new ATOM 0 HB ILE A 39 7.048 -1.415 -3.227 1.00 0.00 H new ATOM 0 HG12 ILE A 39 4.950 0.750 -3.025 1.00 0.00 H new ATOM 0 HG13 ILE A 39 6.234 0.584 -4.205 1.00 0.00 H new ATOM 0 HG21 ILE A 39 4.895 -2.550 -2.913 1.00 0.00 H new ATOM 0 HG22 ILE A 39 5.903 -2.647 -1.449 1.00 0.00 H new ATOM 0 HG23 ILE A 39 4.543 -1.501 -1.519 1.00 0.00 H new ATOM 0 HD11 ILE A 39 4.064 0.052 -5.192 1.00 0.00 H new ATOM 0 HD12 ILE A 39 5.110 -1.388 -5.172 1.00 0.00 H new ATOM 0 HD13 ILE A 39 3.806 -1.219 -3.973 1.00 0.00 H new ATOM 621 N ASP A 40 7.432 -1.853 0.059 1.00 0.00 N ATOM 622 CA ASP A 40 8.288 -2.738 0.836 1.00 0.00 C ATOM 623 C ASP A 40 7.946 -4.201 0.576 1.00 0.00 C ATOM 624 O ASP A 40 6.822 -4.629 0.813 1.00 0.00 O ATOM 625 CB ASP A 40 8.116 -2.438 2.320 1.00 0.00 C ATOM 626 CG ASP A 40 8.704 -1.099 2.717 1.00 0.00 C ATOM 627 OD1 ASP A 40 8.101 -0.060 2.375 1.00 0.00 O ATOM 628 OD2 ASP A 40 9.769 -1.088 3.369 1.00 0.00 O ATOM 0 H ASP A 40 6.435 -1.984 0.229 1.00 0.00 H new ATOM 0 HA ASP A 40 9.321 -2.565 0.535 1.00 0.00 H new ATOM 0 HB2 ASP A 40 7.055 -2.453 2.569 1.00 0.00 H new ATOM 0 HB3 ASP A 40 8.591 -3.226 2.904 1.00 0.00 H new ATOM 633 N GLU A 41 8.919 -4.963 0.097 1.00 0.00 N ATOM 634 CA GLU A 41 8.716 -6.385 -0.164 1.00 0.00 C ATOM 635 C GLU A 41 8.977 -7.191 1.102 1.00 0.00 C ATOM 636 O GLU A 41 9.965 -7.921 1.194 1.00 0.00 O ATOM 637 CB GLU A 41 9.639 -6.860 -1.290 1.00 0.00 C ATOM 638 CG GLU A 41 9.845 -5.826 -2.386 1.00 0.00 C ATOM 639 CD GLU A 41 11.298 -5.702 -2.806 1.00 0.00 C ATOM 640 OE1 GLU A 41 12.012 -6.725 -2.784 1.00 0.00 O ATOM 641 OE2 GLU A 41 11.719 -4.580 -3.157 1.00 0.00 O ATOM 0 H GLU A 41 9.856 -4.623 -0.119 1.00 0.00 H new ATOM 0 HA GLU A 41 7.682 -6.538 -0.475 1.00 0.00 H new ATOM 0 HB2 GLU A 41 10.607 -7.126 -0.867 1.00 0.00 H new ATOM 0 HB3 GLU A 41 9.224 -7.766 -1.731 1.00 0.00 H new ATOM 0 HG2 GLU A 41 9.242 -6.096 -3.253 1.00 0.00 H new ATOM 0 HG3 GLU A 41 9.487 -4.857 -2.038 1.00 0.00 H new ATOM 648 N GLU A 42 8.110 -7.020 2.093 1.00 0.00 N ATOM 649 CA GLU A 42 8.270 -7.696 3.373 1.00 0.00 C ATOM 650 C GLU A 42 7.389 -8.934 3.469 1.00 0.00 C ATOM 651 O GLU A 42 6.312 -8.981 2.890 1.00 0.00 O ATOM 652 CB GLU A 42 7.966 -6.732 4.513 1.00 0.00 C ATOM 653 CG GLU A 42 9.216 -6.133 5.134 1.00 0.00 C ATOM 654 CD GLU A 42 10.374 -6.035 4.158 1.00 0.00 C ATOM 655 OE1 GLU A 42 10.294 -5.208 3.225 1.00 0.00 O ATOM 656 OE2 GLU A 42 11.360 -6.782 4.329 1.00 0.00 O ATOM 0 H GLU A 42 7.289 -6.418 2.034 1.00 0.00 H new ATOM 0 HA GLU A 42 9.306 -8.027 3.452 1.00 0.00 H new ATOM 0 HB2 GLU A 42 7.331 -5.928 4.142 1.00 0.00 H new ATOM 0 HB3 GLU A 42 7.400 -7.256 5.283 1.00 0.00 H new ATOM 0 HG2 GLU A 42 8.985 -5.139 5.516 1.00 0.00 H new ATOM 0 HG3 GLU A 42 9.518 -6.740 5.988 1.00 0.00 H new ATOM 663 N PRO A 43 7.845 -9.957 4.210 1.00 0.00 N ATOM 664 CA PRO A 43 7.134 -11.217 4.347 1.00 0.00 C ATOM 665 C PRO A 43 6.239 -11.274 5.577 1.00 0.00 C ATOM 666 O PRO A 43 6.417 -10.517 6.530 1.00 0.00 O ATOM 667 CB PRO A 43 8.270 -12.231 4.458 1.00 0.00 C ATOM 668 CG PRO A 43 9.453 -11.469 4.992 1.00 0.00 C ATOM 669 CD PRO A 43 9.123 -9.993 4.926 1.00 0.00 C ATOM 0 HA PRO A 43 6.452 -11.392 3.515 1.00 0.00 H new ATOM 0 HB2 PRO A 43 7.999 -13.049 5.125 1.00 0.00 H new ATOM 0 HB3 PRO A 43 8.496 -12.672 3.487 1.00 0.00 H new ATOM 0 HG2 PRO A 43 9.667 -11.767 6.018 1.00 0.00 H new ATOM 0 HG3 PRO A 43 10.345 -11.687 4.404 1.00 0.00 H new ATOM 0 HD2 PRO A 43 9.037 -9.556 5.921 1.00 0.00 H new ATOM 0 HD3 PRO A 43 9.894 -9.433 4.398 1.00 0.00 H new ATOM 677 N ILE A 44 5.266 -12.179 5.531 1.00 0.00 N ATOM 678 CA ILE A 44 4.308 -12.340 6.616 1.00 0.00 C ATOM 679 C ILE A 44 4.213 -13.799 7.049 1.00 0.00 C ATOM 680 O ILE A 44 4.822 -14.204 8.040 1.00 0.00 O ATOM 681 CB ILE A 44 2.912 -11.845 6.192 1.00 0.00 C ATOM 682 CG1 ILE A 44 3.046 -10.673 5.212 1.00 0.00 C ATOM 683 CG2 ILE A 44 2.091 -11.448 7.411 1.00 0.00 C ATOM 684 CD1 ILE A 44 3.616 -9.415 5.842 1.00 0.00 C ATOM 0 H ILE A 44 5.121 -12.816 4.747 1.00 0.00 H new ATOM 0 HA ILE A 44 4.662 -11.742 7.455 1.00 0.00 H new ATOM 0 HB ILE A 44 2.388 -12.657 5.688 1.00 0.00 H new ATOM 0 HG12 ILE A 44 3.685 -10.975 4.383 1.00 0.00 H new ATOM 0 HG13 ILE A 44 2.066 -10.447 4.793 1.00 0.00 H new ATOM 0 HG21 ILE A 44 1.109 -11.101 7.091 1.00 0.00 H new ATOM 0 HG22 ILE A 44 1.975 -12.310 8.068 1.00 0.00 H new ATOM 0 HG23 ILE A 44 2.601 -10.648 7.948 1.00 0.00 H new ATOM 0 HD11 ILE A 44 3.682 -8.629 5.090 1.00 0.00 H new ATOM 0 HD12 ILE A 44 2.966 -9.087 6.653 1.00 0.00 H new ATOM 0 HD13 ILE A 44 4.610 -9.624 6.236 1.00 0.00 H new ATOM 696 N ALA A 45 3.441 -14.584 6.302 1.00 0.00 N ATOM 697 CA ALA A 45 3.275 -16.003 6.593 1.00 0.00 C ATOM 698 C ALA A 45 4.576 -16.765 6.353 1.00 0.00 C ATOM 699 O ALA A 45 5.666 -16.209 6.493 1.00 0.00 O ATOM 700 CB ALA A 45 2.148 -16.581 5.751 1.00 0.00 C ATOM 0 H ALA A 45 2.919 -14.259 5.488 1.00 0.00 H new ATOM 0 HA ALA A 45 3.015 -16.112 7.646 1.00 0.00 H new ATOM 0 HB1 ALA A 45 2.033 -17.641 5.976 1.00 0.00 H new ATOM 0 HB2 ALA A 45 1.219 -16.058 5.979 1.00 0.00 H new ATOM 0 HB3 ALA A 45 2.384 -16.458 4.694 1.00 0.00 H new ATOM 706 N PHE A 46 4.459 -18.036 5.977 1.00 0.00 N ATOM 707 CA PHE A 46 5.630 -18.860 5.708 1.00 0.00 C ATOM 708 C PHE A 46 6.294 -18.439 4.402 1.00 0.00 C ATOM 709 O PHE A 46 7.510 -18.553 4.246 1.00 0.00 O ATOM 710 CB PHE A 46 5.238 -20.338 5.647 1.00 0.00 C ATOM 711 CG PHE A 46 5.420 -21.063 6.951 1.00 0.00 C ATOM 712 CD1 PHE A 46 4.743 -20.651 8.088 1.00 0.00 C ATOM 713 CD2 PHE A 46 6.266 -22.156 7.039 1.00 0.00 C ATOM 714 CE1 PHE A 46 4.908 -21.315 9.289 1.00 0.00 C ATOM 715 CE2 PHE A 46 6.435 -22.824 8.237 1.00 0.00 C ATOM 716 CZ PHE A 46 5.755 -22.404 9.363 1.00 0.00 C ATOM 0 H PHE A 46 3.567 -18.515 5.852 1.00 0.00 H new ATOM 0 HA PHE A 46 6.343 -18.718 6.521 1.00 0.00 H new ATOM 0 HB2 PHE A 46 4.195 -20.416 5.340 1.00 0.00 H new ATOM 0 HB3 PHE A 46 5.834 -20.832 4.880 1.00 0.00 H new ATOM 0 HD1 PHE A 46 4.079 -19.801 8.035 1.00 0.00 H new ATOM 0 HD2 PHE A 46 6.800 -22.490 6.162 1.00 0.00 H new ATOM 0 HE1 PHE A 46 4.376 -20.983 10.168 1.00 0.00 H new ATOM 0 HE2 PHE A 46 7.099 -23.674 8.292 1.00 0.00 H new ATOM 0 HZ PHE A 46 5.885 -22.926 10.300 1.00 0.00 H new ATOM 726 N GLY A 47 5.486 -17.936 3.473 1.00 0.00 N ATOM 727 CA GLY A 47 6.009 -17.493 2.191 1.00 0.00 C ATOM 728 C GLY A 47 5.175 -16.388 1.571 1.00 0.00 C ATOM 729 O GLY A 47 5.423 -15.977 0.437 1.00 0.00 O ATOM 0 H GLY A 47 4.478 -17.827 3.584 1.00 0.00 H new ATOM 0 HA2 GLY A 47 7.032 -17.141 2.322 1.00 0.00 H new ATOM 0 HA3 GLY A 47 6.049 -18.340 1.507 1.00 0.00 H new ATOM 733 N LEU A 48 4.191 -15.901 2.320 1.00 0.00 N ATOM 734 CA LEU A 48 3.307 -14.851 1.841 1.00 0.00 C ATOM 735 C LEU A 48 3.873 -13.472 2.170 1.00 0.00 C ATOM 736 O LEU A 48 3.752 -12.991 3.297 1.00 0.00 O ATOM 737 CB LEU A 48 1.921 -15.023 2.464 1.00 0.00 C ATOM 738 CG LEU A 48 1.070 -16.136 1.846 1.00 0.00 C ATOM 739 CD1 LEU A 48 1.690 -17.503 2.093 1.00 0.00 C ATOM 740 CD2 LEU A 48 -0.349 -16.092 2.392 1.00 0.00 C ATOM 0 H LEU A 48 3.987 -16.221 3.267 1.00 0.00 H new ATOM 0 HA LEU A 48 3.224 -14.929 0.757 1.00 0.00 H new ATOM 0 HB2 LEU A 48 2.040 -15.225 3.529 1.00 0.00 H new ATOM 0 HB3 LEU A 48 1.380 -14.081 2.377 1.00 0.00 H new ATOM 0 HG LEU A 48 1.035 -15.970 0.769 1.00 0.00 H new ATOM 0 HD11 LEU A 48 1.064 -18.273 1.643 1.00 0.00 H new ATOM 0 HD12 LEU A 48 2.684 -17.537 1.648 1.00 0.00 H new ATOM 0 HD13 LEU A 48 1.767 -17.679 3.166 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -0.938 -16.891 1.941 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -0.327 -16.225 3.474 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -0.801 -15.129 2.154 1.00 0.00 H new ATOM 752 N VAL A 49 4.476 -12.837 1.170 1.00 0.00 N ATOM 753 CA VAL A 49 5.107 -11.536 1.349 1.00 0.00 C ATOM 754 C VAL A 49 4.150 -10.385 1.042 1.00 0.00 C ATOM 755 O VAL A 49 3.591 -10.296 -0.051 1.00 0.00 O ATOM 756 CB VAL A 49 6.356 -11.413 0.448 1.00 0.00 C ATOM 757 CG1 VAL A 49 6.758 -9.958 0.242 1.00 0.00 C ATOM 758 CG2 VAL A 49 7.511 -12.215 1.028 1.00 0.00 C ATOM 0 H VAL A 49 4.540 -13.206 0.221 1.00 0.00 H new ATOM 0 HA VAL A 49 5.397 -11.467 2.397 1.00 0.00 H new ATOM 0 HB VAL A 49 6.103 -11.823 -0.530 1.00 0.00 H new ATOM 0 HG11 VAL A 49 7.640 -9.911 -0.397 1.00 0.00 H new ATOM 0 HG12 VAL A 49 5.938 -9.418 -0.231 1.00 0.00 H new ATOM 0 HG13 VAL A 49 6.984 -9.503 1.206 1.00 0.00 H new ATOM 0 HG21 VAL A 49 8.383 -12.117 0.381 1.00 0.00 H new ATOM 0 HG22 VAL A 49 7.753 -11.838 2.022 1.00 0.00 H new ATOM 0 HG23 VAL A 49 7.226 -13.265 1.097 1.00 0.00 H new ATOM 768 N ALA A 50 4.044 -9.458 1.991 1.00 0.00 N ATOM 769 CA ALA A 50 3.212 -8.273 1.832 1.00 0.00 C ATOM 770 C ALA A 50 4.036 -7.097 1.337 1.00 0.00 C ATOM 771 O ALA A 50 5.192 -6.928 1.724 1.00 0.00 O ATOM 772 CB ALA A 50 2.563 -7.897 3.151 1.00 0.00 C ATOM 0 H ALA A 50 4.530 -9.508 2.886 1.00 0.00 H new ATOM 0 HA ALA A 50 2.441 -8.507 1.098 1.00 0.00 H new ATOM 0 HB1 ALA A 50 1.945 -7.010 3.013 1.00 0.00 H new ATOM 0 HB2 ALA A 50 1.941 -8.722 3.498 1.00 0.00 H new ATOM 0 HB3 ALA A 50 3.336 -7.689 3.891 1.00 0.00 H new ATOM 778 N LEU A 51 3.429 -6.271 0.499 1.00 0.00 N ATOM 779 CA LEU A 51 4.103 -5.097 -0.024 1.00 0.00 C ATOM 780 C LEU A 51 3.565 -3.836 0.639 1.00 0.00 C ATOM 781 O LEU A 51 2.383 -3.512 0.520 1.00 0.00 O ATOM 782 CB LEU A 51 3.949 -5.020 -1.546 1.00 0.00 C ATOM 783 CG LEU A 51 3.814 -6.373 -2.260 1.00 0.00 C ATOM 784 CD1 LEU A 51 3.881 -6.188 -3.767 1.00 0.00 C ATOM 785 CD2 LEU A 51 4.884 -7.351 -1.795 1.00 0.00 C ATOM 0 H LEU A 51 2.472 -6.393 0.168 1.00 0.00 H new ATOM 0 HA LEU A 51 5.166 -5.177 0.205 1.00 0.00 H new ATOM 0 HB2 LEU A 51 3.071 -4.417 -1.776 1.00 0.00 H new ATOM 0 HB3 LEU A 51 4.812 -4.496 -1.956 1.00 0.00 H new ATOM 0 HG LEU A 51 2.842 -6.793 -2.002 1.00 0.00 H new ATOM 0 HD11 LEU A 51 3.784 -7.157 -4.257 1.00 0.00 H new ATOM 0 HD12 LEU A 51 3.070 -5.535 -4.090 1.00 0.00 H new ATOM 0 HD13 LEU A 51 4.837 -5.739 -4.036 1.00 0.00 H new ATOM 0 HD21 LEU A 51 4.762 -8.299 -2.318 1.00 0.00 H new ATOM 0 HD22 LEU A 51 5.870 -6.941 -2.012 1.00 0.00 H new ATOM 0 HD23 LEU A 51 4.786 -7.514 -0.722 1.00 0.00 H new ATOM 797 N ASN A 52 4.442 -3.144 1.357 1.00 0.00 N ATOM 798 CA ASN A 52 4.065 -1.932 2.066 1.00 0.00 C ATOM 799 C ASN A 52 4.249 -0.721 1.168 1.00 0.00 C ATOM 800 O ASN A 52 5.332 -0.138 1.095 1.00 0.00 O ATOM 801 CB ASN A 52 4.909 -1.776 3.335 1.00 0.00 C ATOM 802 CG ASN A 52 5.219 -3.106 4.001 1.00 0.00 C ATOM 803 OD1 ASN A 52 6.276 -3.276 4.606 1.00 0.00 O ATOM 804 ND2 ASN A 52 4.293 -4.052 3.902 1.00 0.00 N ATOM 0 H ASN A 52 5.422 -3.405 1.462 1.00 0.00 H new ATOM 0 HA ASN A 52 3.015 -2.006 2.349 1.00 0.00 H new ATOM 0 HB2 ASN A 52 5.843 -1.273 3.085 1.00 0.00 H new ATOM 0 HB3 ASN A 52 4.381 -1.135 4.041 1.00 0.00 H new ATOM 0 HD21 ASN A 52 4.445 -4.962 4.337 1.00 0.00 H new ATOM 0 HD22 ASN A 52 3.430 -3.869 3.391 1.00 0.00 H new ATOM 811 N VAL A 53 3.173 -0.349 0.496 1.00 0.00 N ATOM 812 CA VAL A 53 3.195 0.766 -0.434 1.00 0.00 C ATOM 813 C VAL A 53 2.950 2.089 0.275 1.00 0.00 C ATOM 814 O VAL A 53 1.818 2.417 0.632 1.00 0.00 O ATOM 815 CB VAL A 53 2.134 0.588 -1.533 1.00 0.00 C ATOM 816 CG1 VAL A 53 2.384 1.553 -2.683 1.00 0.00 C ATOM 817 CG2 VAL A 53 2.113 -0.850 -2.025 1.00 0.00 C ATOM 0 H VAL A 53 2.266 -0.808 0.579 1.00 0.00 H new ATOM 0 HA VAL A 53 4.188 0.782 -0.883 1.00 0.00 H new ATOM 0 HB VAL A 53 1.156 0.816 -1.109 1.00 0.00 H new ATOM 0 HG11 VAL A 53 1.622 1.411 -3.450 1.00 0.00 H new ATOM 0 HG12 VAL A 53 2.340 2.578 -2.314 1.00 0.00 H new ATOM 0 HG13 VAL A 53 3.369 1.363 -3.110 1.00 0.00 H new ATOM 0 HG21 VAL A 53 1.356 -0.958 -2.802 1.00 0.00 H new ATOM 0 HG22 VAL A 53 3.090 -1.110 -2.432 1.00 0.00 H new ATOM 0 HG23 VAL A 53 1.877 -1.515 -1.194 1.00 0.00 H new ATOM 827 N MET A 54 4.013 2.868 0.421 1.00 0.00 N ATOM 828 CA MET A 54 3.926 4.173 1.057 1.00 0.00 C ATOM 829 C MET A 54 3.497 5.221 0.044 1.00 0.00 C ATOM 830 O MET A 54 3.545 4.984 -1.160 1.00 0.00 O ATOM 831 CB MET A 54 5.280 4.557 1.663 1.00 0.00 C ATOM 832 CG MET A 54 5.614 3.803 2.940 1.00 0.00 C ATOM 833 SD MET A 54 7.366 3.896 3.361 1.00 0.00 S ATOM 834 CE MET A 54 7.529 2.485 4.453 1.00 0.00 C ATOM 0 H MET A 54 4.950 2.616 0.105 1.00 0.00 H new ATOM 0 HA MET A 54 3.183 4.125 1.853 1.00 0.00 H new ATOM 0 HB2 MET A 54 6.063 4.372 0.927 1.00 0.00 H new ATOM 0 HB3 MET A 54 5.284 5.627 1.872 1.00 0.00 H new ATOM 0 HG2 MET A 54 5.024 4.209 3.762 1.00 0.00 H new ATOM 0 HG3 MET A 54 5.326 2.758 2.827 1.00 0.00 H new ATOM 0 HE1 MET A 54 8.585 2.269 4.613 1.00 0.00 H new ATOM 0 HE2 MET A 54 7.055 2.708 5.409 1.00 0.00 H new ATOM 0 HE3 MET A 54 7.046 1.618 4.002 1.00 0.00 H new ATOM 844 N VAL A 55 3.041 6.366 0.537 1.00 0.00 N ATOM 845 CA VAL A 55 2.576 7.436 -0.334 1.00 0.00 C ATOM 846 C VAL A 55 3.018 8.800 0.188 1.00 0.00 C ATOM 847 O VAL A 55 3.020 9.043 1.395 1.00 0.00 O ATOM 848 CB VAL A 55 1.038 7.414 -0.477 1.00 0.00 C ATOM 849 CG1 VAL A 55 0.538 5.994 -0.689 1.00 0.00 C ATOM 850 CG2 VAL A 55 0.363 8.038 0.736 1.00 0.00 C ATOM 0 H VAL A 55 2.984 6.576 1.533 1.00 0.00 H new ATOM 0 HA VAL A 55 3.023 7.269 -1.314 1.00 0.00 H new ATOM 0 HB VAL A 55 0.778 8.009 -1.352 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -0.548 6.001 -0.787 1.00 0.00 H new ATOM 0 HG12 VAL A 55 0.982 5.584 -1.596 1.00 0.00 H new ATOM 0 HG13 VAL A 55 0.821 5.377 0.164 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -0.719 8.008 0.606 1.00 0.00 H new ATOM 0 HG22 VAL A 55 0.636 7.480 1.632 1.00 0.00 H new ATOM 0 HG23 VAL A 55 0.687 9.073 0.840 1.00 0.00 H new ATOM 860 N VAL A 56 3.396 9.689 -0.725 1.00 0.00 N ATOM 861 CA VAL A 56 3.820 11.032 -0.346 1.00 0.00 C ATOM 862 C VAL A 56 2.632 11.986 -0.345 1.00 0.00 C ATOM 863 O VAL A 56 2.190 12.442 -1.400 1.00 0.00 O ATOM 864 CB VAL A 56 4.902 11.581 -1.296 1.00 0.00 C ATOM 865 CG1 VAL A 56 5.698 12.683 -0.613 1.00 0.00 C ATOM 866 CG2 VAL A 56 5.820 10.467 -1.773 1.00 0.00 C ATOM 0 H VAL A 56 3.417 9.505 -1.728 1.00 0.00 H new ATOM 0 HA VAL A 56 4.242 10.962 0.657 1.00 0.00 H new ATOM 0 HB VAL A 56 4.408 12.005 -2.170 1.00 0.00 H new ATOM 0 HG11 VAL A 56 6.458 13.060 -1.297 1.00 0.00 H new ATOM 0 HG12 VAL A 56 5.028 13.495 -0.332 1.00 0.00 H new ATOM 0 HG13 VAL A 56 6.179 12.284 0.280 1.00 0.00 H new ATOM 0 HG21 VAL A 56 6.575 10.879 -2.442 1.00 0.00 H new ATOM 0 HG22 VAL A 56 6.309 10.006 -0.915 1.00 0.00 H new ATOM 0 HG23 VAL A 56 5.235 9.716 -2.305 1.00 0.00 H new ATOM 876 N VAL A 57 2.115 12.279 0.843 1.00 0.00 N ATOM 877 CA VAL A 57 0.965 13.165 0.975 1.00 0.00 C ATOM 878 C VAL A 57 1.213 14.255 2.009 1.00 0.00 C ATOM 879 O VAL A 57 1.821 14.015 3.051 1.00 0.00 O ATOM 880 CB VAL A 57 -0.302 12.386 1.372 1.00 0.00 C ATOM 881 CG1 VAL A 57 -0.709 11.424 0.267 1.00 0.00 C ATOM 882 CG2 VAL A 57 -0.090 11.641 2.678 1.00 0.00 C ATOM 0 H VAL A 57 2.473 11.917 1.727 1.00 0.00 H new ATOM 0 HA VAL A 57 0.816 13.625 -0.002 1.00 0.00 H new ATOM 0 HB VAL A 57 -1.110 13.103 1.517 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -1.606 10.883 0.568 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -0.911 11.984 -0.646 1.00 0.00 H new ATOM 0 HG13 VAL A 57 0.099 10.715 0.087 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -0.998 11.098 2.939 1.00 0.00 H new ATOM 0 HG22 VAL A 57 0.734 10.937 2.565 1.00 0.00 H new ATOM 0 HG23 VAL A 57 0.147 12.353 3.469 1.00 0.00 H new ATOM 892 N GLY A 58 0.746 15.458 1.711 1.00 0.00 N ATOM 893 CA GLY A 58 0.906 16.562 2.635 1.00 0.00 C ATOM 894 C GLY A 58 0.270 17.838 2.123 1.00 0.00 C ATOM 895 O GLY A 58 -0.641 18.381 2.750 1.00 0.00 O ATOM 0 H GLY A 58 0.259 15.690 0.845 1.00 0.00 H new ATOM 0 HA2 GLY A 58 0.462 16.297 3.594 1.00 0.00 H new ATOM 0 HA3 GLY A 58 1.968 16.734 2.812 1.00 0.00 H new ATOM 899 N ASP A 59 0.746 18.313 0.976 1.00 0.00 N ATOM 900 CA ASP A 59 0.206 19.523 0.367 1.00 0.00 C ATOM 901 C ASP A 59 -1.064 19.205 -0.412 1.00 0.00 C ATOM 902 O ASP A 59 -1.758 20.103 -0.887 1.00 0.00 O ATOM 903 CB ASP A 59 1.245 20.162 -0.557 1.00 0.00 C ATOM 904 CG ASP A 59 0.781 21.490 -1.120 1.00 0.00 C ATOM 905 OD1 ASP A 59 0.840 22.498 -0.385 1.00 0.00 O ATOM 906 OD2 ASP A 59 0.359 21.523 -2.295 1.00 0.00 O ATOM 0 H ASP A 59 1.504 17.878 0.450 1.00 0.00 H new ATOM 0 HA ASP A 59 -0.039 20.229 1.160 1.00 0.00 H new ATOM 0 HB2 ASP A 59 2.174 20.309 -0.007 1.00 0.00 H new ATOM 0 HB3 ASP A 59 1.465 19.480 -1.378 1.00 0.00 H new ATOM 911 N ALA A 60 -1.358 17.915 -0.533 1.00 0.00 N ATOM 912 CA ALA A 60 -2.545 17.456 -1.241 1.00 0.00 C ATOM 913 C ALA A 60 -3.819 17.853 -0.497 1.00 0.00 C ATOM 914 O ALA A 60 -3.891 18.925 0.103 1.00 0.00 O ATOM 915 CB ALA A 60 -2.478 15.949 -1.429 1.00 0.00 C ATOM 0 H ALA A 60 -0.785 17.165 -0.146 1.00 0.00 H new ATOM 0 HA ALA A 60 -2.574 17.936 -2.219 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -3.368 15.609 -1.959 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -1.591 15.694 -2.008 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -2.428 15.463 -0.455 1.00 0.00 H new ATOM 921 N GLU A 61 -4.819 16.978 -0.532 1.00 0.00 N ATOM 922 CA GLU A 61 -6.088 17.239 0.135 1.00 0.00 C ATOM 923 C GLU A 61 -6.706 15.945 0.647 1.00 0.00 C ATOM 924 O GLU A 61 -6.041 14.910 0.714 1.00 0.00 O ATOM 925 CB GLU A 61 -7.061 17.935 -0.819 1.00 0.00 C ATOM 926 CG GLU A 61 -6.769 17.674 -2.288 1.00 0.00 C ATOM 927 CD GLU A 61 -7.430 18.686 -3.204 1.00 0.00 C ATOM 928 OE1 GLU A 61 -8.594 19.054 -2.941 1.00 0.00 O ATOM 929 OE2 GLU A 61 -6.783 19.112 -4.184 1.00 0.00 O ATOM 0 H GLU A 61 -4.774 16.081 -1.016 1.00 0.00 H new ATOM 0 HA GLU A 61 -5.893 17.894 0.984 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -8.075 17.604 -0.595 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -7.029 19.009 -0.637 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -5.691 17.694 -2.449 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -7.113 16.673 -2.550 1.00 0.00 H new ATOM 936 N GLY A 62 -7.987 16.006 0.998 1.00 0.00 N ATOM 937 CA GLY A 62 -8.678 14.826 1.479 1.00 0.00 C ATOM 938 C GLY A 62 -9.123 13.936 0.339 1.00 0.00 C ATOM 939 O GLY A 62 -9.921 13.018 0.531 1.00 0.00 O ATOM 0 H GLY A 62 -8.557 16.851 0.958 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -8.021 14.265 2.144 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -9.546 15.126 2.067 1.00 0.00 H new ATOM 943 N GLY A 63 -8.600 14.213 -0.851 1.00 0.00 N ATOM 944 CA GLY A 63 -8.945 13.424 -2.017 1.00 0.00 C ATOM 945 C GLY A 63 -8.370 12.026 -1.959 1.00 0.00 C ATOM 946 O GLY A 63 -8.676 11.187 -2.807 1.00 0.00 O ATOM 0 H GLY A 63 -7.942 14.972 -1.028 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -10.030 13.364 -2.104 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -8.581 13.927 -2.913 1.00 0.00 H new ATOM 950 N THR A 64 -7.537 11.770 -0.953 1.00 0.00 N ATOM 951 CA THR A 64 -6.934 10.454 -0.785 1.00 0.00 C ATOM 952 C THR A 64 -7.963 9.468 -0.255 1.00 0.00 C ATOM 953 O THR A 64 -7.683 8.279 -0.107 1.00 0.00 O ATOM 954 CB THR A 64 -5.736 10.520 0.162 1.00 0.00 C ATOM 955 OG1 THR A 64 -6.148 10.326 1.504 1.00 0.00 O ATOM 956 CG2 THR A 64 -4.985 11.831 0.094 1.00 0.00 C ATOM 0 H THR A 64 -7.266 12.454 -0.246 1.00 0.00 H new ATOM 0 HA THR A 64 -6.583 10.114 -1.759 1.00 0.00 H new ATOM 0 HB THR A 64 -5.067 9.724 -0.165 1.00 0.00 H new ATOM 0 HG1 THR A 64 -5.368 10.370 2.095 1.00 0.00 H new ATOM 0 HG21 THR A 64 -4.148 11.807 0.792 1.00 0.00 H new ATOM 0 HG22 THR A 64 -4.610 11.983 -0.918 1.00 0.00 H new ATOM 0 HG23 THR A 64 -5.655 12.649 0.359 1.00 0.00 H new ATOM 964 N GLU A 65 -9.158 9.978 0.029 1.00 0.00 N ATOM 965 CA GLU A 65 -10.256 9.144 0.498 1.00 0.00 C ATOM 966 C GLU A 65 -10.499 8.004 -0.476 1.00 0.00 C ATOM 967 O GLU A 65 -11.021 6.951 -0.110 1.00 0.00 O ATOM 968 CB GLU A 65 -11.527 9.980 0.628 1.00 0.00 C ATOM 969 CG GLU A 65 -11.879 10.751 -0.635 1.00 0.00 C ATOM 970 CD GLU A 65 -13.365 11.030 -0.755 1.00 0.00 C ATOM 971 OE1 GLU A 65 -14.152 10.388 -0.027 1.00 0.00 O ATOM 972 OE2 GLU A 65 -13.742 11.892 -1.577 1.00 0.00 O ATOM 0 H GLU A 65 -9.389 10.968 -0.058 1.00 0.00 H new ATOM 0 HA GLU A 65 -9.991 8.734 1.473 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -12.358 9.325 0.887 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -11.407 10.684 1.452 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -11.334 11.695 -0.643 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -11.548 10.185 -1.506 1.00 0.00 H new ATOM 979 N ALA A 66 -10.090 8.230 -1.717 1.00 0.00 N ATOM 980 CA ALA A 66 -10.259 7.243 -2.776 1.00 0.00 C ATOM 981 C ALA A 66 -9.601 5.922 -2.404 1.00 0.00 C ATOM 982 O ALA A 66 -10.066 4.856 -2.803 1.00 0.00 O ATOM 983 CB ALA A 66 -9.683 7.767 -4.083 1.00 0.00 C ATOM 0 H ALA A 66 -9.636 9.093 -2.017 1.00 0.00 H new ATOM 0 HA ALA A 66 -11.327 7.066 -2.905 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -9.816 7.019 -4.865 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -10.199 8.684 -4.366 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -8.620 7.973 -3.956 1.00 0.00 H new ATOM 989 N ALA A 67 -8.547 5.993 -1.598 1.00 0.00 N ATOM 990 CA ALA A 67 -7.842 4.793 -1.163 1.00 0.00 C ATOM 991 C ALA A 67 -8.773 3.891 -0.366 1.00 0.00 C ATOM 992 O ALA A 67 -8.969 2.724 -0.711 1.00 0.00 O ATOM 993 CB ALA A 67 -6.622 5.164 -0.333 1.00 0.00 C ATOM 0 H ALA A 67 -8.163 6.865 -1.234 1.00 0.00 H new ATOM 0 HA ALA A 67 -7.506 4.250 -2.046 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -6.108 4.257 -0.017 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -5.946 5.774 -0.932 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -6.937 5.727 0.545 1.00 0.00 H new ATOM 999 N GLU A 68 -9.373 4.447 0.682 1.00 0.00 N ATOM 1000 CA GLU A 68 -10.315 3.702 1.504 1.00 0.00 C ATOM 1001 C GLU A 68 -11.482 3.207 0.657 1.00 0.00 C ATOM 1002 O GLU A 68 -12.030 2.134 0.904 1.00 0.00 O ATOM 1003 CB GLU A 68 -10.833 4.576 2.648 1.00 0.00 C ATOM 1004 CG GLU A 68 -9.769 4.927 3.676 1.00 0.00 C ATOM 1005 CD GLU A 68 -10.339 5.099 5.071 1.00 0.00 C ATOM 1006 OE1 GLU A 68 -11.052 6.097 5.302 1.00 0.00 O ATOM 1007 OE2 GLU A 68 -10.071 4.234 5.931 1.00 0.00 O ATOM 0 H GLU A 68 -9.222 5.411 0.980 1.00 0.00 H new ATOM 0 HA GLU A 68 -9.797 2.841 1.927 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -11.243 5.497 2.233 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -11.652 4.058 3.147 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -9.011 4.143 3.691 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -9.269 5.848 3.376 1.00 0.00 H new ATOM 1014 N GLU A 69 -11.874 4.012 -0.328 1.00 0.00 N ATOM 1015 CA GLU A 69 -12.956 3.644 -1.229 1.00 0.00 C ATOM 1016 C GLU A 69 -12.595 2.385 -2.002 1.00 0.00 C ATOM 1017 O GLU A 69 -13.372 1.431 -2.062 1.00 0.00 O ATOM 1018 CB GLU A 69 -13.254 4.789 -2.200 1.00 0.00 C ATOM 1019 CG GLU A 69 -14.723 5.174 -2.255 1.00 0.00 C ATOM 1020 CD GLU A 69 -14.989 6.332 -3.197 1.00 0.00 C ATOM 1021 OE1 GLU A 69 -15.136 6.087 -4.412 1.00 0.00 O ATOM 1022 OE2 GLU A 69 -15.050 7.484 -2.719 1.00 0.00 O ATOM 0 H GLU A 69 -11.457 4.923 -0.520 1.00 0.00 H new ATOM 0 HA GLU A 69 -13.848 3.448 -0.635 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -12.669 5.662 -1.910 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -12.925 4.502 -3.199 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -15.309 4.311 -2.572 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -15.063 5.440 -1.254 1.00 0.00 H new ATOM 1029 N SER A 70 -11.407 2.396 -2.599 1.00 0.00 N ATOM 1030 CA SER A 70 -10.914 1.251 -3.349 1.00 0.00 C ATOM 1031 C SER A 70 -10.746 0.050 -2.431 1.00 0.00 C ATOM 1032 O SER A 70 -10.683 -1.090 -2.887 1.00 0.00 O ATOM 1033 CB SER A 70 -9.582 1.593 -4.021 1.00 0.00 C ATOM 1034 OG SER A 70 -9.415 0.862 -5.224 1.00 0.00 O ATOM 0 H SER A 70 -10.767 3.190 -2.576 1.00 0.00 H new ATOM 0 HA SER A 70 -11.642 1.000 -4.120 1.00 0.00 H new ATOM 0 HB2 SER A 70 -9.542 2.662 -4.232 1.00 0.00 H new ATOM 0 HB3 SER A 70 -8.760 1.372 -3.340 1.00 0.00 H new ATOM 0 HG SER A 70 -8.557 1.099 -5.635 1.00 0.00 H new ATOM 1040 N LEU A 71 -10.693 0.318 -1.130 1.00 0.00 N ATOM 1041 CA LEU A 71 -10.545 -0.732 -0.130 1.00 0.00 C ATOM 1042 C LEU A 71 -11.854 -1.499 0.037 1.00 0.00 C ATOM 1043 O LEU A 71 -11.853 -2.686 0.361 1.00 0.00 O ATOM 1044 CB LEU A 71 -10.117 -0.127 1.210 1.00 0.00 C ATOM 1045 CG LEU A 71 -8.727 -0.540 1.706 1.00 0.00 C ATOM 1046 CD1 LEU A 71 -8.666 -2.043 1.939 1.00 0.00 C ATOM 1047 CD2 LEU A 71 -7.653 -0.105 0.719 1.00 0.00 C ATOM 0 H LEU A 71 -10.751 1.260 -0.743 1.00 0.00 H new ATOM 0 HA LEU A 71 -9.775 -1.426 -0.468 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -10.145 0.959 1.124 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -10.851 -0.406 1.966 1.00 0.00 H new ATOM 0 HG LEU A 71 -8.540 -0.039 2.656 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -7.671 -2.317 2.291 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -9.406 -2.325 2.688 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -8.877 -2.565 1.006 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -6.674 -0.408 1.090 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -7.836 -0.574 -0.248 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -7.679 0.979 0.607 1.00 0.00 H new ATOM 1059 N SER A 72 -12.968 -0.811 -0.201 1.00 0.00 N ATOM 1060 CA SER A 72 -14.288 -1.426 -0.103 1.00 0.00 C ATOM 1061 C SER A 72 -14.452 -2.516 -1.158 1.00 0.00 C ATOM 1062 O SER A 72 -15.396 -3.306 -1.113 1.00 0.00 O ATOM 1063 CB SER A 72 -15.379 -0.365 -0.266 1.00 0.00 C ATOM 1064 OG SER A 72 -16.049 -0.504 -1.508 1.00 0.00 O ATOM 0 H SER A 72 -12.982 0.175 -0.464 1.00 0.00 H new ATOM 0 HA SER A 72 -14.384 -1.882 0.882 1.00 0.00 H new ATOM 0 HB2 SER A 72 -16.098 -0.450 0.549 1.00 0.00 H new ATOM 0 HB3 SER A 72 -14.936 0.629 -0.198 1.00 0.00 H new ATOM 0 HG SER A 72 -16.741 0.185 -1.585 1.00 0.00 H new ATOM 1070 N GLY A 73 -13.516 -2.552 -2.100 1.00 0.00 N ATOM 1071 CA GLY A 73 -13.545 -3.547 -3.156 1.00 0.00 C ATOM 1072 C GLY A 73 -12.151 -3.870 -3.650 1.00 0.00 C ATOM 1073 O GLY A 73 -11.958 -4.258 -4.803 1.00 0.00 O ATOM 0 H GLY A 73 -12.731 -1.903 -2.151 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -14.022 -4.456 -2.789 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -14.151 -3.182 -3.985 1.00 0.00 H new ATOM 1077 N ILE A 74 -11.181 -3.701 -2.763 1.00 0.00 N ATOM 1078 CA ILE A 74 -9.781 -3.945 -3.078 1.00 0.00 C ATOM 1079 C ILE A 74 -9.496 -5.442 -3.194 1.00 0.00 C ATOM 1080 O ILE A 74 -10.423 -6.249 -3.264 1.00 0.00 O ATOM 1081 CB ILE A 74 -8.870 -3.306 -2.000 1.00 0.00 C ATOM 1082 CG1 ILE A 74 -7.525 -2.903 -2.601 1.00 0.00 C ATOM 1083 CG2 ILE A 74 -8.677 -4.236 -0.809 1.00 0.00 C ATOM 1084 CD1 ILE A 74 -7.392 -1.413 -2.812 1.00 0.00 C ATOM 0 H ILE A 74 -11.342 -3.391 -1.805 1.00 0.00 H new ATOM 0 HA ILE A 74 -9.565 -3.485 -4.042 1.00 0.00 H new ATOM 0 HB ILE A 74 -9.367 -2.407 -1.636 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -6.724 -3.244 -1.945 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -7.393 -3.412 -3.556 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -8.033 -3.755 -0.073 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -9.645 -4.454 -0.357 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -8.215 -5.165 -1.144 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -6.415 -1.192 -3.241 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -8.172 -1.071 -3.492 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -7.493 -0.900 -1.856 1.00 0.00 H new ATOM 1096 N GLU A 75 -8.214 -5.805 -3.208 1.00 0.00 N ATOM 1097 CA GLU A 75 -7.811 -7.205 -3.298 1.00 0.00 C ATOM 1098 C GLU A 75 -8.533 -8.045 -2.250 1.00 0.00 C ATOM 1099 O GLU A 75 -8.127 -8.094 -1.088 1.00 0.00 O ATOM 1100 CB GLU A 75 -6.299 -7.325 -3.108 1.00 0.00 C ATOM 1101 CG GLU A 75 -5.532 -7.528 -4.405 1.00 0.00 C ATOM 1102 CD GLU A 75 -5.817 -8.868 -5.056 1.00 0.00 C ATOM 1103 OE1 GLU A 75 -6.564 -9.674 -4.461 1.00 0.00 O ATOM 1104 OE2 GLU A 75 -5.294 -9.112 -6.164 1.00 0.00 O ATOM 0 H GLU A 75 -7.437 -5.147 -3.158 1.00 0.00 H new ATOM 0 HA GLU A 75 -8.082 -7.578 -4.286 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -5.931 -6.424 -2.616 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -6.091 -8.160 -2.439 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -5.788 -6.730 -5.101 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -4.463 -7.446 -4.206 1.00 0.00 H new ATOM 1111 N GLY A 76 -9.613 -8.695 -2.672 1.00 0.00 N ATOM 1112 CA GLY A 76 -10.392 -9.522 -1.766 1.00 0.00 C ATOM 1113 C GLY A 76 -9.568 -10.629 -1.144 1.00 0.00 C ATOM 1114 O GLY A 76 -9.866 -11.092 -0.043 1.00 0.00 O ATOM 0 H GLY A 76 -9.964 -8.664 -3.629 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -10.811 -8.897 -0.977 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -11.232 -9.958 -2.307 1.00 0.00 H new ATOM 1118 N VAL A 77 -8.526 -11.052 -1.851 1.00 0.00 N ATOM 1119 CA VAL A 77 -7.649 -12.105 -1.360 1.00 0.00 C ATOM 1120 C VAL A 77 -6.513 -11.519 -0.535 1.00 0.00 C ATOM 1121 O VAL A 77 -6.122 -12.076 0.490 1.00 0.00 O ATOM 1122 CB VAL A 77 -7.068 -12.941 -2.522 1.00 0.00 C ATOM 1123 CG1 VAL A 77 -5.806 -12.309 -3.094 1.00 0.00 C ATOM 1124 CG2 VAL A 77 -6.792 -14.365 -2.061 1.00 0.00 C ATOM 0 H VAL A 77 -8.269 -10.681 -2.766 1.00 0.00 H new ATOM 0 HA VAL A 77 -8.249 -12.760 -0.729 1.00 0.00 H new ATOM 0 HB VAL A 77 -7.811 -12.965 -3.319 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -5.427 -12.926 -3.909 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -6.037 -11.312 -3.470 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -5.050 -12.236 -2.313 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -6.383 -14.943 -2.890 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -6.075 -14.349 -1.241 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -7.721 -14.824 -1.722 1.00 0.00 H new ATOM 1134 N SER A 78 -6.009 -10.375 -0.978 1.00 0.00 N ATOM 1135 CA SER A 78 -4.918 -9.705 -0.295 1.00 0.00 C ATOM 1136 C SER A 78 -5.445 -8.632 0.640 1.00 0.00 C ATOM 1137 O SER A 78 -5.655 -7.489 0.230 1.00 0.00 O ATOM 1138 CB SER A 78 -3.958 -9.075 -1.310 1.00 0.00 C ATOM 1139 OG SER A 78 -2.967 -8.298 -0.661 1.00 0.00 O ATOM 0 H SER A 78 -6.343 -9.892 -1.812 1.00 0.00 H new ATOM 0 HA SER A 78 -4.381 -10.450 0.292 1.00 0.00 H new ATOM 0 HB2 SER A 78 -3.482 -9.858 -1.900 1.00 0.00 H new ATOM 0 HB3 SER A 78 -4.518 -8.449 -2.005 1.00 0.00 H new ATOM 0 HG SER A 78 -3.270 -7.368 -0.597 1.00 0.00 H new ATOM 1145 N ASN A 79 -5.652 -8.996 1.899 1.00 0.00 N ATOM 1146 CA ASN A 79 -6.097 -8.024 2.884 1.00 0.00 C ATOM 1147 C ASN A 79 -4.924 -7.169 3.279 1.00 0.00 C ATOM 1148 O ASN A 79 -3.847 -7.670 3.602 1.00 0.00 O ATOM 1149 CB ASN A 79 -6.705 -8.688 4.118 1.00 0.00 C ATOM 1150 CG ASN A 79 -6.579 -7.848 5.396 1.00 0.00 C ATOM 1151 OD1 ASN A 79 -6.365 -8.403 6.474 1.00 0.00 O ATOM 1152 ND2 ASN A 79 -6.727 -6.512 5.309 1.00 0.00 N ATOM 0 H ASN A 79 -5.521 -9.942 2.257 1.00 0.00 H new ATOM 0 HA ASN A 79 -6.881 -7.414 2.436 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -7.759 -8.890 3.929 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -6.220 -9.651 4.278 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -6.662 -5.936 6.148 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -6.904 -6.076 4.404 1.00 0.00 H new ATOM 1159 N ILE A 80 -5.144 -5.880 3.253 1.00 0.00 N ATOM 1160 CA ILE A 80 -4.097 -4.941 3.524 1.00 0.00 C ATOM 1161 C ILE A 80 -4.172 -4.413 4.944 1.00 0.00 C ATOM 1162 O ILE A 80 -5.253 -4.126 5.459 1.00 0.00 O ATOM 1163 CB ILE A 80 -4.201 -3.762 2.552 1.00 0.00 C ATOM 1164 CG1 ILE A 80 -4.609 -4.245 1.158 1.00 0.00 C ATOM 1165 CG2 ILE A 80 -2.895 -3.009 2.495 1.00 0.00 C ATOM 1166 CD1 ILE A 80 -5.015 -3.128 0.221 1.00 0.00 C ATOM 0 H ILE A 80 -6.049 -5.458 3.044 1.00 0.00 H new ATOM 0 HA ILE A 80 -3.146 -5.459 3.398 1.00 0.00 H new ATOM 0 HB ILE A 80 -4.973 -3.084 2.915 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -3.778 -4.794 0.716 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -5.438 -4.946 1.254 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -2.986 -2.174 1.800 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -2.650 -2.630 3.487 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -2.104 -3.678 2.157 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -5.291 -3.547 -0.747 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -5.867 -2.593 0.641 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -4.180 -2.439 0.093 1.00 0.00 H new ATOM 1178 N GLU A 81 -3.009 -4.250 5.557 1.00 0.00 N ATOM 1179 CA GLU A 81 -2.928 -3.646 6.872 1.00 0.00 C ATOM 1180 C GLU A 81 -2.896 -2.156 6.654 1.00 0.00 C ATOM 1181 O GLU A 81 -1.839 -1.521 6.660 1.00 0.00 O ATOM 1182 CB GLU A 81 -1.687 -4.114 7.638 1.00 0.00 C ATOM 1183 CG GLU A 81 -0.835 -5.107 6.871 1.00 0.00 C ATOM 1184 CD GLU A 81 0.490 -5.391 7.551 1.00 0.00 C ATOM 1185 OE1 GLU A 81 1.024 -4.477 8.215 1.00 0.00 O ATOM 1186 OE2 GLU A 81 0.993 -6.526 7.423 1.00 0.00 O ATOM 0 H GLU A 81 -2.111 -4.528 5.162 1.00 0.00 H new ATOM 0 HA GLU A 81 -3.783 -3.940 7.480 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -1.078 -3.246 7.891 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -2.001 -4.568 8.578 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -1.387 -6.040 6.756 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -0.649 -4.721 5.869 1.00 0.00 H new ATOM 1193 N VAL A 82 -4.062 -1.645 6.305 1.00 0.00 N ATOM 1194 CA VAL A 82 -4.223 -0.267 5.913 1.00 0.00 C ATOM 1195 C VAL A 82 -4.327 0.646 7.134 1.00 0.00 C ATOM 1196 O VAL A 82 -5.271 1.423 7.283 1.00 0.00 O ATOM 1197 CB VAL A 82 -5.474 -0.139 5.015 1.00 0.00 C ATOM 1198 CG1 VAL A 82 -5.703 1.306 4.595 1.00 0.00 C ATOM 1199 CG2 VAL A 82 -5.337 -1.033 3.796 1.00 0.00 C ATOM 0 H VAL A 82 -4.928 -2.183 6.287 1.00 0.00 H new ATOM 0 HA VAL A 82 -3.344 0.049 5.351 1.00 0.00 H new ATOM 0 HB VAL A 82 -6.342 -0.460 5.591 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -6.590 1.365 3.964 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -5.846 1.924 5.481 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -4.837 1.665 4.038 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -6.224 -0.934 3.171 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -4.456 -0.738 3.225 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -5.232 -2.070 4.115 1.00 0.00 H new ATOM 1209 N THR A 83 -3.362 0.504 8.036 1.00 0.00 N ATOM 1210 CA THR A 83 -3.320 1.316 9.243 1.00 0.00 C ATOM 1211 C THR A 83 -1.925 1.889 9.484 1.00 0.00 C ATOM 1212 O THR A 83 -1.654 2.429 10.558 1.00 0.00 O ATOM 1213 CB THR A 83 -3.754 0.484 10.451 1.00 0.00 C ATOM 1214 OG1 THR A 83 -4.776 -0.429 10.089 1.00 0.00 O ATOM 1215 CG2 THR A 83 -4.270 1.323 11.598 1.00 0.00 C ATOM 0 H THR A 83 -2.598 -0.167 7.952 1.00 0.00 H new ATOM 0 HA THR A 83 -4.009 2.150 9.107 1.00 0.00 H new ATOM 0 HB THR A 83 -2.857 -0.040 10.781 1.00 0.00 H new ATOM 0 HG1 THR A 83 -5.039 -0.953 10.874 1.00 0.00 H new ATOM 0 HG21 THR A 83 -4.561 0.672 12.423 1.00 0.00 H new ATOM 0 HG22 THR A 83 -3.487 2.004 11.932 1.00 0.00 H new ATOM 0 HG23 THR A 83 -5.135 1.899 11.268 1.00 0.00 H new ATOM 1223 N ASP A 84 -1.015 1.703 8.527 1.00 0.00 N ATOM 1224 CA ASP A 84 0.344 2.191 8.686 1.00 0.00 C ATOM 1225 C ASP A 84 0.458 3.648 8.251 1.00 0.00 C ATOM 1226 O ASP A 84 -0.155 4.062 7.267 1.00 0.00 O ATOM 1227 CB ASP A 84 1.310 1.310 7.896 1.00 0.00 C ATOM 1228 CG ASP A 84 2.753 1.495 8.323 1.00 0.00 C ATOM 1229 OD1 ASP A 84 3.002 2.295 9.250 1.00 0.00 O ATOM 1230 OD2 ASP A 84 3.636 0.835 7.735 1.00 0.00 O ATOM 0 H ASP A 84 -1.197 1.223 7.646 1.00 0.00 H new ATOM 0 HA ASP A 84 0.609 2.141 9.742 1.00 0.00 H new ATOM 0 HB2 ASP A 84 1.029 0.265 8.023 1.00 0.00 H new ATOM 0 HB3 ASP A 84 1.218 1.538 6.834 1.00 0.00 H new ATOM 1235 N VAL A 85 1.246 4.417 8.992 1.00 0.00 N ATOM 1236 CA VAL A 85 1.437 5.833 8.698 1.00 0.00 C ATOM 1237 C VAL A 85 2.838 6.294 9.097 1.00 0.00 C ATOM 1238 O VAL A 85 3.517 5.636 9.886 1.00 0.00 O ATOM 1239 CB VAL A 85 0.384 6.699 9.422 1.00 0.00 C ATOM 1240 CG1 VAL A 85 0.762 6.914 10.881 1.00 0.00 C ATOM 1241 CG2 VAL A 85 0.201 8.030 8.708 1.00 0.00 C ATOM 0 H VAL A 85 1.765 4.083 9.804 1.00 0.00 H new ATOM 0 HA VAL A 85 1.317 5.958 7.622 1.00 0.00 H new ATOM 0 HB VAL A 85 -0.566 6.165 9.398 1.00 0.00 H new ATOM 0 HG11 VAL A 85 0.003 7.527 11.367 1.00 0.00 H new ATOM 0 HG12 VAL A 85 0.828 5.950 11.386 1.00 0.00 H new ATOM 0 HG13 VAL A 85 1.726 7.419 10.936 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -0.545 8.625 9.234 1.00 0.00 H new ATOM 0 HG22 VAL A 85 1.149 8.568 8.692 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -0.132 7.852 7.686 1.00 0.00 H new ATOM 1251 N ARG A 86 3.256 7.436 8.559 1.00 0.00 N ATOM 1252 CA ARG A 86 4.583 7.968 8.831 1.00 0.00 C ATOM 1253 C ARG A 86 4.589 9.490 8.837 1.00 0.00 C ATOM 1254 O ARG A 86 4.400 10.129 7.804 1.00 0.00 O ATOM 1255 CB ARG A 86 5.560 7.462 7.782 1.00 0.00 C ATOM 1256 CG ARG A 86 6.168 6.127 8.138 1.00 0.00 C ATOM 1257 CD ARG A 86 7.679 6.226 8.235 1.00 0.00 C ATOM 1258 NE ARG A 86 8.104 7.386 9.014 1.00 0.00 N ATOM 1259 CZ ARG A 86 9.368 7.627 9.350 1.00 0.00 C ATOM 1260 NH1 ARG A 86 10.328 6.792 8.973 1.00 0.00 N ATOM 1261 NH2 ARG A 86 9.672 8.703 10.062 1.00 0.00 N ATOM 0 H ARG A 86 2.692 8.010 7.932 1.00 0.00 H new ATOM 0 HA ARG A 86 4.884 7.626 9.821 1.00 0.00 H new ATOM 0 HB2 ARG A 86 5.045 7.377 6.825 1.00 0.00 H new ATOM 0 HB3 ARG A 86 6.356 8.195 7.652 1.00 0.00 H new ATOM 0 HG2 ARG A 86 5.761 5.780 9.088 1.00 0.00 H new ATOM 0 HG3 ARG A 86 5.896 5.387 7.385 1.00 0.00 H new ATOM 0 HD2 ARG A 86 8.073 5.318 8.693 1.00 0.00 H new ATOM 0 HD3 ARG A 86 8.103 6.288 7.233 1.00 0.00 H new ATOM 0 HE ARG A 86 7.391 8.049 9.318 1.00 0.00 H new ATOM 0 HH11 ARG A 86 10.097 5.964 8.425 1.00 0.00 H new ATOM 0 HH12 ARG A 86 11.297 6.979 9.232 1.00 0.00 H new ATOM 0 HH21 ARG A 86 8.936 9.347 10.353 1.00 0.00 H new ATOM 0 HH22 ARG A 86 10.642 8.887 10.319 1.00 0.00 H new ATOM 1275 N ARG A 87 4.774 10.060 10.018 1.00 0.00 N ATOM 1276 CA ARG A 87 4.813 11.511 10.174 1.00 0.00 C ATOM 1277 C ARG A 87 6.228 12.064 10.001 1.00 0.00 C ATOM 1278 O ARG A 87 6.905 12.355 10.987 1.00 0.00 O ATOM 1279 CB ARG A 87 4.266 11.903 11.549 1.00 0.00 C ATOM 1280 CG ARG A 87 2.756 12.078 11.576 1.00 0.00 C ATOM 1281 CD ARG A 87 2.360 13.535 11.407 1.00 0.00 C ATOM 1282 NE ARG A 87 1.043 13.816 11.974 1.00 0.00 N ATOM 1283 CZ ARG A 87 0.832 14.064 13.263 1.00 0.00 C ATOM 1284 NH1 ARG A 87 1.847 14.065 14.119 1.00 0.00 N ATOM 1285 NH2 ARG A 87 -0.395 14.310 13.701 1.00 0.00 N ATOM 0 H ARG A 87 4.900 9.540 10.887 1.00 0.00 H new ATOM 0 HA ARG A 87 4.189 11.945 9.392 1.00 0.00 H new ATOM 0 HB2 ARG A 87 4.548 11.140 12.274 1.00 0.00 H new ATOM 0 HB3 ARG A 87 4.737 12.833 11.866 1.00 0.00 H new ATOM 0 HG2 ARG A 87 2.306 11.483 10.781 1.00 0.00 H new ATOM 0 HG3 ARG A 87 2.362 11.700 12.519 1.00 0.00 H new ATOM 0 HD2 ARG A 87 3.104 14.170 11.887 1.00 0.00 H new ATOM 0 HD3 ARG A 87 2.360 13.790 10.347 1.00 0.00 H new ATOM 0 HE ARG A 87 0.240 13.822 11.345 1.00 0.00 H new ATOM 0 HH11 ARG A 87 2.793 13.875 13.788 1.00 0.00 H new ATOM 0 HH12 ARG A 87 1.681 14.256 15.107 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -1.179 14.309 13.049 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -0.555 14.500 14.690 1.00 0.00 H new ATOM 1299 N LEU A 88 6.681 12.216 8.754 1.00 0.00 N ATOM 1300 CA LEU A 88 8.009 12.776 8.507 1.00 0.00 C ATOM 1301 C LEU A 88 7.956 14.296 8.513 1.00 0.00 C ATOM 1302 O LEU A 88 7.772 14.919 7.467 1.00 0.00 O ATOM 1303 CB LEU A 88 8.600 12.304 7.177 1.00 0.00 C ATOM 1304 CG LEU A 88 7.830 11.212 6.446 1.00 0.00 C ATOM 1305 CD1 LEU A 88 8.406 11.017 5.052 1.00 0.00 C ATOM 1306 CD2 LEU A 88 7.873 9.914 7.232 1.00 0.00 C ATOM 0 H LEU A 88 6.158 11.964 7.915 1.00 0.00 H new ATOM 0 HA LEU A 88 8.652 12.420 9.312 1.00 0.00 H new ATOM 0 HB2 LEU A 88 8.683 13.166 6.515 1.00 0.00 H new ATOM 0 HB3 LEU A 88 9.612 11.944 7.361 1.00 0.00 H new ATOM 0 HG LEU A 88 6.787 11.516 6.353 1.00 0.00 H new ATOM 0 HD11 LEU A 88 7.851 10.235 4.535 1.00 0.00 H new ATOM 0 HD12 LEU A 88 8.327 11.949 4.492 1.00 0.00 H new ATOM 0 HD13 LEU A 88 9.454 10.728 5.129 1.00 0.00 H new ATOM 0 HD21 LEU A 88 7.318 9.145 6.695 1.00 0.00 H new ATOM 0 HD22 LEU A 88 8.909 9.596 7.353 1.00 0.00 H new ATOM 0 HD23 LEU A 88 7.424 10.068 8.213 1.00 0.00 H new ATOM 1318 N MET A 89 8.121 14.883 9.692 1.00 0.00 N ATOM 1319 CA MET A 89 8.095 16.334 9.834 1.00 0.00 C ATOM 1320 C MET A 89 9.502 16.915 9.750 1.00 0.00 C ATOM 1321 O MET A 89 10.435 16.284 10.289 1.00 0.00 O ATOM 1322 CB MET A 89 7.446 16.726 11.162 1.00 0.00 C ATOM 1323 CG MET A 89 6.017 16.229 11.312 1.00 0.00 C ATOM 1324 SD MET A 89 5.593 15.837 13.021 1.00 0.00 S ATOM 1325 CE MET A 89 6.743 14.507 13.359 1.00 0.00 C ATOM 1326 OXT MET A 89 9.660 17.998 9.147 1.00 0.00 O ATOM 0 H MET A 89 8.274 14.377 10.564 1.00 0.00 H new ATOM 0 HA MET A 89 7.504 16.743 9.015 1.00 0.00 H new ATOM 0 HB2 MET A 89 8.047 16.331 11.981 1.00 0.00 H new ATOM 0 HB3 MET A 89 7.456 17.812 11.255 1.00 0.00 H new ATOM 0 HG2 MET A 89 5.331 16.988 10.937 1.00 0.00 H new ATOM 0 HG3 MET A 89 5.879 15.341 10.695 1.00 0.00 H new ATOM 0 HE1 MET A 89 6.191 13.615 13.654 1.00 0.00 H new ATOM 0 HE2 MET A 89 7.326 14.293 12.463 1.00 0.00 H new ATOM 0 HE3 MET A 89 7.414 14.802 14.166 1.00 0.00 H new TER 1336 MET A 89