USER MOD reduce.3.24.130724 H: found=0, std=0, add=824, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 825 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 31 GLN : amide:sc= -0.0656 K(o=-2.5,f=-3.5) USER MOD Set 1.2: A 109 SER OG : rot 112:sc= -2.42! USER MOD Single : A 2 MET CE :methyl -150:sc= -3.1! (180deg=-6.51!) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot -84:sc= -1.46! USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ -150:sc= -0.446 (180deg=-0.587) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 123:sc= 0.0345 USER MOD Single : A 26 HIS :FLIP no HE2:sc= -8.11! C(o=-9.4!,f=-8.1!) USER MOD Single : A 27 LYS NZ :NH3+ 171:sc= -1.83 (180deg=-1.95) USER MOD Single : A 28 LYS NZ :NH3+ -155:sc= 0.502 (180deg=-0.379) USER MOD Single : A 32 MET CE :methyl 145:sc= -4.77! (180deg=-6.48!) USER MOD Single : A 36 LYS NZ :NH3+ 142:sc= -0.016 (180deg=-0.509) USER MOD Single : A 37 LYS NZ :NH3+ 164:sc= -0.0566 (180deg=-0.325) USER MOD Single : A 38 LYS NZ :NH3+ -114:sc= 0.976 (180deg=-1.21) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ -142:sc= -0.859 (180deg=-1.24) USER MOD Single : A 48 HIS : no HD1:sc= -0.182 X(o=-0.18,f=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 156:sc= 0 (180deg=-0.06) USER MOD Single : A 55 SER OG : rot 3:sc= 0.583 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 SER OG : rot -86:sc= -3.64! USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.00759) USER MOD Single : A 82 THR OG1 : rot 62:sc= 0.917 USER MOD Single : A 83 LYS NZ :NH3+ 149:sc= -0.0577 (180deg=-0.331) USER MOD Single : A 84 THR OG1 : rot 97:sc= -0.126 USER MOD Single : A 86 MET CE :methyl 154:sc= -13.6! (180deg=-20.3!) USER MOD Single : A 91 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00941) USER MOD Single : A 96 LYS NZ :NH3+ 171:sc=-0.00232 (180deg=-0.184) USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 104 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 14 N MET A 2 5.431 -7.697 5.630 1.00 0.00 N ATOM 15 CA MET A 2 5.831 -8.144 4.299 1.00 0.00 C ATOM 16 C MET A 2 7.350 -8.252 4.201 1.00 0.00 C ATOM 17 O MET A 2 7.985 -7.530 3.432 1.00 0.00 O ATOM 18 CB MET A 2 5.312 -7.170 3.238 1.00 0.00 C ATOM 19 CG MET A 2 4.041 -7.628 2.533 1.00 0.00 C ATOM 20 SD MET A 2 3.345 -6.356 1.455 1.00 0.00 S ATOM 21 CE MET A 2 3.512 -4.897 2.481 1.00 0.00 C ATOM 0 HA MET A 2 5.399 -9.129 4.124 1.00 0.00 H new ATOM 0 HB2 MET A 2 5.125 -6.205 3.709 1.00 0.00 H new ATOM 0 HB3 MET A 2 6.091 -7.015 2.492 1.00 0.00 H new ATOM 0 HG2 MET A 2 4.258 -8.519 1.944 1.00 0.00 H new ATOM 0 HG3 MET A 2 3.299 -7.912 3.279 1.00 0.00 H new ATOM 0 HE1 MET A 2 2.714 -4.193 2.245 1.00 0.00 H new ATOM 0 HE2 MET A 2 3.446 -5.181 3.531 1.00 0.00 H new ATOM 0 HE3 MET A 2 4.477 -4.428 2.292 1.00 0.00 H new ATOM 31 N THR A 3 7.930 -9.152 4.988 1.00 0.00 N ATOM 32 CA THR A 3 9.375 -9.345 4.991 1.00 0.00 C ATOM 33 C THR A 3 9.768 -10.563 4.161 1.00 0.00 C ATOM 34 O THR A 3 10.817 -10.578 3.519 1.00 0.00 O ATOM 35 CB THR A 3 9.916 -9.517 6.422 1.00 0.00 C ATOM 36 OG1 THR A 3 9.540 -8.392 7.226 1.00 0.00 O ATOM 37 CG2 THR A 3 11.430 -9.658 6.415 1.00 0.00 C ATOM 0 H THR A 3 7.422 -9.759 5.631 1.00 0.00 H new ATOM 0 HA THR A 3 9.815 -8.450 4.550 1.00 0.00 H new ATOM 0 HB THR A 3 9.485 -10.425 6.843 1.00 0.00 H new ATOM 0 HG1 THR A 3 9.886 -8.509 8.135 1.00 0.00 H new ATOM 0 HG21 THR A 3 11.789 -9.778 7.437 1.00 0.00 H new ATOM 0 HG22 THR A 3 11.711 -10.531 5.826 1.00 0.00 H new ATOM 0 HG23 THR A 3 11.876 -8.766 5.976 1.00 0.00 H new ATOM 45 N ASP A 4 8.918 -11.584 4.183 1.00 0.00 N ATOM 46 CA ASP A 4 9.172 -12.808 3.432 1.00 0.00 C ATOM 47 C ASP A 4 8.561 -12.726 2.035 1.00 0.00 C ATOM 48 O ASP A 4 8.986 -13.430 1.119 1.00 0.00 O ATOM 49 CB ASP A 4 8.601 -14.015 4.179 1.00 0.00 C ATOM 50 CG ASP A 4 9.195 -14.171 5.566 1.00 0.00 C ATOM 51 OD1 ASP A 4 8.691 -13.515 6.502 1.00 0.00 O ATOM 52 OD2 ASP A 4 10.160 -14.947 5.715 1.00 0.00 O ATOM 0 H ASP A 4 8.047 -11.588 4.713 1.00 0.00 H new ATOM 0 HA ASP A 4 10.251 -12.927 3.331 1.00 0.00 H new ATOM 0 HB2 ASP A 4 7.519 -13.910 4.260 1.00 0.00 H new ATOM 0 HB3 ASP A 4 8.791 -14.920 3.601 1.00 0.00 H new ATOM 57 N LEU A 5 7.561 -11.862 1.879 1.00 0.00 N ATOM 58 CA LEU A 5 6.888 -11.690 0.597 1.00 0.00 C ATOM 59 C LEU A 5 7.628 -10.694 -0.280 1.00 0.00 C ATOM 60 O LEU A 5 8.143 -11.041 -1.343 1.00 0.00 O ATOM 61 CB LEU A 5 5.462 -11.213 0.821 1.00 0.00 C ATOM 62 CG LEU A 5 4.685 -12.045 1.826 1.00 0.00 C ATOM 63 CD1 LEU A 5 3.394 -11.355 2.189 1.00 0.00 C ATOM 64 CD2 LEU A 5 4.413 -13.424 1.258 1.00 0.00 C ATOM 0 H LEU A 5 7.199 -11.270 2.627 1.00 0.00 H new ATOM 0 HA LEU A 5 6.876 -12.654 0.088 1.00 0.00 H new ATOM 0 HB2 LEU A 5 5.485 -10.178 1.162 1.00 0.00 H new ATOM 0 HB3 LEU A 5 4.932 -11.223 -0.131 1.00 0.00 H new ATOM 0 HG LEU A 5 5.281 -12.154 2.732 1.00 0.00 H new ATOM 0 HD11 LEU A 5 2.847 -11.962 2.910 1.00 0.00 H new ATOM 0 HD12 LEU A 5 3.613 -10.381 2.627 1.00 0.00 H new ATOM 0 HD13 LEU A 5 2.788 -11.222 1.293 1.00 0.00 H new ATOM 0 HD21 LEU A 5 3.855 -14.014 1.986 1.00 0.00 H new ATOM 0 HD22 LEU A 5 3.829 -13.332 0.342 1.00 0.00 H new ATOM 0 HD23 LEU A 5 5.358 -13.920 1.037 1.00 0.00 H new ATOM 76 N LEU A 6 7.672 -9.452 0.178 1.00 0.00 N ATOM 77 CA LEU A 6 8.340 -8.390 -0.549 1.00 0.00 C ATOM 78 C LEU A 6 9.805 -8.311 -0.146 1.00 0.00 C ATOM 79 O LEU A 6 10.236 -8.998 0.778 1.00 0.00 O ATOM 80 CB LEU A 6 7.646 -7.062 -0.272 1.00 0.00 C ATOM 81 CG LEU A 6 6.108 -7.060 -0.353 1.00 0.00 C ATOM 82 CD1 LEU A 6 5.643 -5.771 -0.981 1.00 0.00 C ATOM 83 CD2 LEU A 6 5.536 -8.238 -1.131 1.00 0.00 C ATOM 0 H LEU A 6 7.248 -9.156 1.057 1.00 0.00 H new ATOM 0 HA LEU A 6 8.287 -8.605 -1.616 1.00 0.00 H new ATOM 0 HB2 LEU A 6 7.936 -6.727 0.724 1.00 0.00 H new ATOM 0 HB3 LEU A 6 8.026 -6.325 -0.979 1.00 0.00 H new ATOM 0 HG LEU A 6 5.741 -7.154 0.669 1.00 0.00 H new ATOM 0 HD11 LEU A 6 4.555 -5.767 -1.040 1.00 0.00 H new ATOM 0 HD12 LEU A 6 5.977 -4.929 -0.374 1.00 0.00 H new ATOM 0 HD13 LEU A 6 6.061 -5.683 -1.984 1.00 0.00 H new ATOM 0 HD21 LEU A 6 4.448 -8.170 -1.146 1.00 0.00 H new ATOM 0 HD22 LEU A 6 5.915 -8.218 -2.153 1.00 0.00 H new ATOM 0 HD23 LEU A 6 5.835 -9.170 -0.652 1.00 0.00 H new ATOM 95 N SER A 7 10.573 -7.475 -0.837 1.00 0.00 N ATOM 96 CA SER A 7 11.985 -7.335 -0.514 1.00 0.00 C ATOM 97 C SER A 7 12.154 -6.499 0.748 1.00 0.00 C ATOM 98 O SER A 7 11.924 -5.290 0.737 1.00 0.00 O ATOM 99 CB SER A 7 12.744 -6.683 -1.667 1.00 0.00 C ATOM 100 OG SER A 7 12.250 -7.120 -2.919 1.00 0.00 O ATOM 0 H SER A 7 10.248 -6.895 -1.610 1.00 0.00 H new ATOM 0 HA SER A 7 12.395 -8.331 -0.346 1.00 0.00 H new ATOM 0 HB2 SER A 7 12.655 -5.599 -1.597 1.00 0.00 H new ATOM 0 HB3 SER A 7 13.805 -6.922 -1.588 1.00 0.00 H new ATOM 0 HG SER A 7 12.675 -7.970 -3.160 1.00 0.00 H new ATOM 106 N ALA A 8 12.581 -7.144 1.830 1.00 0.00 N ATOM 107 CA ALA A 8 12.771 -6.461 3.104 1.00 0.00 C ATOM 108 C ALA A 8 13.745 -5.295 2.972 1.00 0.00 C ATOM 109 O ALA A 8 13.577 -4.256 3.610 1.00 0.00 O ATOM 110 CB ALA A 8 13.258 -7.442 4.159 1.00 0.00 C ATOM 0 H ALA A 8 12.802 -8.140 1.849 1.00 0.00 H new ATOM 0 HA ALA A 8 11.808 -6.055 3.414 1.00 0.00 H new ATOM 0 HB1 ALA A 8 13.396 -6.920 5.106 1.00 0.00 H new ATOM 0 HB2 ALA A 8 12.521 -8.235 4.286 1.00 0.00 H new ATOM 0 HB3 ALA A 8 14.207 -7.876 3.842 1.00 0.00 H new ATOM 116 N GLU A 9 14.761 -5.478 2.137 1.00 0.00 N ATOM 117 CA GLU A 9 15.769 -4.447 1.920 1.00 0.00 C ATOM 118 C GLU A 9 15.185 -3.250 1.171 1.00 0.00 C ATOM 119 O GLU A 9 15.423 -2.101 1.538 1.00 0.00 O ATOM 120 CB GLU A 9 16.951 -5.023 1.141 1.00 0.00 C ATOM 121 CG GLU A 9 16.576 -5.553 -0.233 1.00 0.00 C ATOM 122 CD GLU A 9 17.740 -6.221 -0.937 1.00 0.00 C ATOM 123 OE1 GLU A 9 17.951 -7.431 -0.718 1.00 0.00 O ATOM 124 OE2 GLU A 9 18.443 -5.531 -1.707 1.00 0.00 O ATOM 0 H GLU A 9 14.909 -6.332 1.599 1.00 0.00 H new ATOM 0 HA GLU A 9 16.113 -4.103 2.895 1.00 0.00 H new ATOM 0 HB2 GLU A 9 17.711 -4.250 1.028 1.00 0.00 H new ATOM 0 HB3 GLU A 9 17.400 -5.829 1.722 1.00 0.00 H new ATOM 0 HG2 GLU A 9 15.759 -6.267 -0.132 1.00 0.00 H new ATOM 0 HG3 GLU A 9 16.208 -4.731 -0.847 1.00 0.00 H new ATOM 131 N ASP A 10 14.416 -3.527 0.126 1.00 0.00 N ATOM 132 CA ASP A 10 13.804 -2.475 -0.679 1.00 0.00 C ATOM 133 C ASP A 10 12.842 -1.629 0.140 1.00 0.00 C ATOM 134 O ASP A 10 12.935 -0.403 0.159 1.00 0.00 O ATOM 135 CB ASP A 10 13.037 -3.097 -1.829 1.00 0.00 C ATOM 136 CG ASP A 10 13.923 -3.907 -2.755 1.00 0.00 C ATOM 137 OD1 ASP A 10 14.585 -4.850 -2.273 1.00 0.00 O ATOM 138 OD2 ASP A 10 13.961 -3.594 -3.965 1.00 0.00 O ATOM 0 H ASP A 10 14.200 -4.474 -0.186 1.00 0.00 H new ATOM 0 HA ASP A 10 14.605 -1.835 -1.048 1.00 0.00 H new ATOM 0 HB2 ASP A 10 12.252 -3.739 -1.431 1.00 0.00 H new ATOM 0 HB3 ASP A 10 12.546 -2.309 -2.400 1.00 0.00 H new ATOM 143 N ILE A 11 11.916 -2.299 0.806 1.00 0.00 N ATOM 144 CA ILE A 11 10.914 -1.629 1.620 1.00 0.00 C ATOM 145 C ILE A 11 11.569 -0.724 2.660 1.00 0.00 C ATOM 146 O ILE A 11 11.229 0.453 2.768 1.00 0.00 O ATOM 147 CB ILE A 11 10.027 -2.666 2.329 1.00 0.00 C ATOM 148 CG1 ILE A 11 9.317 -3.554 1.310 1.00 0.00 C ATOM 149 CG2 ILE A 11 9.009 -1.984 3.231 1.00 0.00 C ATOM 150 CD1 ILE A 11 9.423 -5.031 1.623 1.00 0.00 C ATOM 0 H ILE A 11 11.837 -3.316 0.798 1.00 0.00 H new ATOM 0 HA ILE A 11 10.301 -1.015 0.960 1.00 0.00 H new ATOM 0 HB ILE A 11 10.671 -3.291 2.948 1.00 0.00 H new ATOM 0 HG12 ILE A 11 8.264 -3.274 1.266 1.00 0.00 H new ATOM 0 HG13 ILE A 11 9.738 -3.368 0.322 1.00 0.00 H new ATOM 0 HG21 ILE A 11 8.394 -2.739 3.721 1.00 0.00 H new ATOM 0 HG22 ILE A 11 9.529 -1.394 3.986 1.00 0.00 H new ATOM 0 HG23 ILE A 11 8.374 -1.330 2.633 1.00 0.00 H new ATOM 0 HD11 ILE A 11 8.897 -5.603 0.859 1.00 0.00 H new ATOM 0 HD12 ILE A 11 10.472 -5.325 1.638 1.00 0.00 H new ATOM 0 HD13 ILE A 11 8.976 -5.229 2.597 1.00 0.00 H new ATOM 162 N LYS A 12 12.512 -1.275 3.416 1.00 0.00 N ATOM 163 CA LYS A 12 13.209 -0.502 4.437 1.00 0.00 C ATOM 164 C LYS A 12 13.902 0.706 3.814 1.00 0.00 C ATOM 165 O LYS A 12 13.760 1.833 4.290 1.00 0.00 O ATOM 166 CB LYS A 12 14.231 -1.384 5.158 1.00 0.00 C ATOM 167 CG LYS A 12 14.903 -0.706 6.343 1.00 0.00 C ATOM 168 CD LYS A 12 16.107 0.119 5.912 1.00 0.00 C ATOM 169 CE LYS A 12 16.893 0.622 7.112 1.00 0.00 C ATOM 170 NZ LYS A 12 18.104 1.388 6.703 1.00 0.00 N ATOM 0 H LYS A 12 12.810 -2.248 3.342 1.00 0.00 H new ATOM 0 HA LYS A 12 12.477 -0.144 5.161 1.00 0.00 H new ATOM 0 HB2 LYS A 12 13.734 -2.290 5.504 1.00 0.00 H new ATOM 0 HB3 LYS A 12 14.997 -1.692 4.446 1.00 0.00 H new ATOM 0 HG2 LYS A 12 14.184 -0.063 6.850 1.00 0.00 H new ATOM 0 HG3 LYS A 12 15.218 -1.461 7.063 1.00 0.00 H new ATOM 0 HD2 LYS A 12 16.756 -0.485 5.278 1.00 0.00 H new ATOM 0 HD3 LYS A 12 15.774 0.966 5.312 1.00 0.00 H new ATOM 0 HE2 LYS A 12 16.253 1.256 7.725 1.00 0.00 H new ATOM 0 HE3 LYS A 12 17.191 -0.224 7.731 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 18.612 1.713 7.550 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 18.728 0.776 6.139 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 17.819 2.210 6.134 1.00 0.00 H new ATOM 184 N LYS A 13 14.647 0.460 2.744 1.00 0.00 N ATOM 185 CA LYS A 13 15.368 1.518 2.046 1.00 0.00 C ATOM 186 C LYS A 13 14.408 2.540 1.453 1.00 0.00 C ATOM 187 O LYS A 13 14.562 3.744 1.647 1.00 0.00 O ATOM 188 CB LYS A 13 16.203 0.916 0.920 1.00 0.00 C ATOM 189 CG LYS A 13 17.265 -0.048 1.405 1.00 0.00 C ATOM 190 CD LYS A 13 17.713 -0.982 0.292 1.00 0.00 C ATOM 191 CE LYS A 13 18.788 -1.942 0.770 1.00 0.00 C ATOM 192 NZ LYS A 13 19.240 -2.853 -0.318 1.00 0.00 N ATOM 0 H LYS A 13 14.768 -0.468 2.338 1.00 0.00 H new ATOM 0 HA LYS A 13 16.012 2.018 2.769 1.00 0.00 H new ATOM 0 HB2 LYS A 13 15.542 0.397 0.226 1.00 0.00 H new ATOM 0 HB3 LYS A 13 16.682 1.721 0.363 1.00 0.00 H new ATOM 0 HG2 LYS A 13 18.122 0.511 1.781 1.00 0.00 H new ATOM 0 HG3 LYS A 13 16.875 -0.633 2.238 1.00 0.00 H new ATOM 0 HD2 LYS A 13 16.857 -1.547 -0.077 1.00 0.00 H new ATOM 0 HD3 LYS A 13 18.093 -0.396 -0.545 1.00 0.00 H new ATOM 0 HE2 LYS A 13 19.640 -1.376 1.147 1.00 0.00 H new ATOM 0 HE3 LYS A 13 18.404 -2.532 1.602 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 19.544 -3.759 0.092 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 18.456 -3.018 -0.981 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 20.037 -2.418 -0.826 1.00 0.00 H new ATOM 206 N ALA A 14 13.417 2.038 0.734 1.00 0.00 N ATOM 207 CA ALA A 14 12.427 2.882 0.082 1.00 0.00 C ATOM 208 C ALA A 14 11.560 3.629 1.091 1.00 0.00 C ATOM 209 O ALA A 14 11.414 4.849 1.013 1.00 0.00 O ATOM 210 CB ALA A 14 11.562 2.038 -0.839 1.00 0.00 C ATOM 0 H ALA A 14 13.276 1.039 0.586 1.00 0.00 H new ATOM 0 HA ALA A 14 12.958 3.633 -0.503 1.00 0.00 H new ATOM 0 HB1 ALA A 14 10.822 2.673 -1.326 1.00 0.00 H new ATOM 0 HB2 ALA A 14 12.189 1.566 -1.596 1.00 0.00 H new ATOM 0 HB3 ALA A 14 11.054 1.269 -0.257 1.00 0.00 H new ATOM 216 N ILE A 15 10.988 2.892 2.035 1.00 0.00 N ATOM 217 CA ILE A 15 10.125 3.489 3.044 1.00 0.00 C ATOM 218 C ILE A 15 10.837 4.607 3.806 1.00 0.00 C ATOM 219 O ILE A 15 10.224 5.609 4.174 1.00 0.00 O ATOM 220 CB ILE A 15 9.585 2.421 4.003 1.00 0.00 C ATOM 221 CG1 ILE A 15 8.554 1.635 3.218 1.00 0.00 C ATOM 222 CG2 ILE A 15 8.966 3.023 5.266 1.00 0.00 C ATOM 223 CD1 ILE A 15 7.704 0.720 4.054 1.00 0.00 C ATOM 0 H ILE A 15 11.106 1.883 2.122 1.00 0.00 H new ATOM 0 HA ILE A 15 9.277 3.939 2.527 1.00 0.00 H new ATOM 0 HB ILE A 15 10.398 1.787 4.356 1.00 0.00 H new ATOM 0 HG12 ILE A 15 7.905 2.335 2.692 1.00 0.00 H new ATOM 0 HG13 ILE A 15 9.066 1.043 2.459 1.00 0.00 H new ATOM 0 HG21 ILE A 15 8.600 2.222 5.909 1.00 0.00 H new ATOM 0 HG22 ILE A 15 9.720 3.602 5.800 1.00 0.00 H new ATOM 0 HG23 ILE A 15 8.137 3.674 4.990 1.00 0.00 H new ATOM 0 HD11 ILE A 15 6.994 0.197 3.414 1.00 0.00 H new ATOM 0 HD12 ILE A 15 8.340 -0.006 4.560 1.00 0.00 H new ATOM 0 HD13 ILE A 15 7.161 1.305 4.796 1.00 0.00 H new ATOM 235 N GLY A 16 12.133 4.431 4.033 1.00 0.00 N ATOM 236 CA GLY A 16 12.901 5.431 4.756 1.00 0.00 C ATOM 237 C GLY A 16 13.557 6.456 3.848 1.00 0.00 C ATOM 238 O GLY A 16 13.504 7.655 4.117 1.00 0.00 O ATOM 0 H GLY A 16 12.667 3.616 3.731 1.00 0.00 H new ATOM 0 HA2 GLY A 16 12.245 5.945 5.458 1.00 0.00 H new ATOM 0 HA3 GLY A 16 13.671 4.932 5.345 1.00 0.00 H new ATOM 242 N ALA A 17 14.177 5.984 2.771 1.00 0.00 N ATOM 243 CA ALA A 17 14.858 6.867 1.829 1.00 0.00 C ATOM 244 C ALA A 17 13.890 7.835 1.153 1.00 0.00 C ATOM 245 O ALA A 17 14.300 8.876 0.642 1.00 0.00 O ATOM 246 CB ALA A 17 15.591 6.048 0.778 1.00 0.00 C ATOM 0 H ALA A 17 14.222 4.994 2.528 1.00 0.00 H new ATOM 0 HA ALA A 17 15.576 7.459 2.396 1.00 0.00 H new ATOM 0 HB1 ALA A 17 16.095 6.718 0.081 1.00 0.00 H new ATOM 0 HB2 ALA A 17 16.328 5.408 1.264 1.00 0.00 H new ATOM 0 HB3 ALA A 17 14.876 5.430 0.235 1.00 0.00 H new ATOM 252 N PHE A 18 12.608 7.490 1.152 1.00 0.00 N ATOM 253 CA PHE A 18 11.597 8.332 0.518 1.00 0.00 C ATOM 254 C PHE A 18 11.019 9.355 1.487 1.00 0.00 C ATOM 255 O PHE A 18 10.139 9.038 2.288 1.00 0.00 O ATOM 256 CB PHE A 18 10.462 7.479 -0.042 1.00 0.00 C ATOM 257 CG PHE A 18 10.809 6.712 -1.286 1.00 0.00 C ATOM 258 CD1 PHE A 18 11.694 7.224 -2.224 1.00 0.00 C ATOM 259 CD2 PHE A 18 10.232 5.476 -1.522 1.00 0.00 C ATOM 260 CE1 PHE A 18 11.996 6.513 -3.369 1.00 0.00 C ATOM 261 CE2 PHE A 18 10.529 4.765 -2.665 1.00 0.00 C ATOM 262 CZ PHE A 18 11.414 5.282 -3.589 1.00 0.00 C ATOM 0 H PHE A 18 12.244 6.639 1.580 1.00 0.00 H new ATOM 0 HA PHE A 18 12.093 8.866 -0.292 1.00 0.00 H new ATOM 0 HB2 PHE A 18 10.142 6.774 0.726 1.00 0.00 H new ATOM 0 HB3 PHE A 18 9.611 8.126 -0.256 1.00 0.00 H new ATOM 0 HD1 PHE A 18 12.151 8.188 -2.057 1.00 0.00 H new ATOM 0 HD2 PHE A 18 9.541 5.064 -0.802 1.00 0.00 H new ATOM 0 HE1 PHE A 18 12.687 6.921 -4.092 1.00 0.00 H new ATOM 0 HE2 PHE A 18 10.069 3.803 -2.837 1.00 0.00 H new ATOM 0 HZ PHE A 18 11.650 4.724 -4.483 1.00 0.00 H new ATOM 272 N THR A 19 11.515 10.584 1.406 1.00 0.00 N ATOM 273 CA THR A 19 11.025 11.656 2.259 1.00 0.00 C ATOM 274 C THR A 19 9.884 12.412 1.581 1.00 0.00 C ATOM 275 O THR A 19 8.860 12.688 2.200 1.00 0.00 O ATOM 276 CB THR A 19 12.147 12.650 2.619 1.00 0.00 C ATOM 277 OG1 THR A 19 11.652 13.643 3.526 1.00 0.00 O ATOM 278 CG2 THR A 19 12.695 13.328 1.371 1.00 0.00 C ATOM 0 H THR A 19 12.254 10.861 0.760 1.00 0.00 H new ATOM 0 HA THR A 19 10.660 11.192 3.175 1.00 0.00 H new ATOM 0 HB THR A 19 12.954 12.092 3.094 1.00 0.00 H new ATOM 0 HG1 THR A 19 12.372 14.269 3.750 1.00 0.00 H new ATOM 0 HG21 THR A 19 13.485 14.024 1.652 1.00 0.00 H new ATOM 0 HG22 THR A 19 13.099 12.574 0.695 1.00 0.00 H new ATOM 0 HG23 THR A 19 11.894 13.872 0.871 1.00 0.00 H new ATOM 286 N ALA A 20 10.097 12.767 0.311 1.00 0.00 N ATOM 287 CA ALA A 20 9.110 13.493 -0.487 1.00 0.00 C ATOM 288 C ALA A 20 8.322 12.570 -1.421 1.00 0.00 C ATOM 289 O ALA A 20 7.093 12.533 -1.385 1.00 0.00 O ATOM 290 CB ALA A 20 9.793 14.589 -1.290 1.00 0.00 C ATOM 0 H ALA A 20 10.960 12.558 -0.192 1.00 0.00 H new ATOM 0 HA ALA A 20 8.396 13.936 0.207 1.00 0.00 H new ATOM 0 HB1 ALA A 20 9.050 15.124 -1.881 1.00 0.00 H new ATOM 0 HB2 ALA A 20 10.286 15.285 -0.611 1.00 0.00 H new ATOM 0 HB3 ALA A 20 10.534 14.145 -1.955 1.00 0.00 H new ATOM 296 N ALA A 21 9.038 11.836 -2.275 1.00 0.00 N ATOM 297 CA ALA A 21 8.405 10.929 -3.237 1.00 0.00 C ATOM 298 C ALA A 21 7.261 10.145 -2.607 1.00 0.00 C ATOM 299 O ALA A 21 6.098 10.323 -2.966 1.00 0.00 O ATOM 300 CB ALA A 21 9.440 9.977 -3.819 1.00 0.00 C ATOM 0 H ALA A 21 10.057 11.851 -2.321 1.00 0.00 H new ATOM 0 HA ALA A 21 7.984 11.537 -4.038 1.00 0.00 H new ATOM 0 HB1 ALA A 21 8.959 9.308 -4.532 1.00 0.00 H new ATOM 0 HB2 ALA A 21 10.217 10.550 -4.326 1.00 0.00 H new ATOM 0 HB3 ALA A 21 9.887 9.391 -3.016 1.00 0.00 H new ATOM 306 N ASP A 22 7.605 9.281 -1.669 1.00 0.00 N ATOM 307 CA ASP A 22 6.612 8.478 -0.964 1.00 0.00 C ATOM 308 C ASP A 22 5.654 9.380 -0.199 1.00 0.00 C ATOM 309 O ASP A 22 4.551 8.970 0.159 1.00 0.00 O ATOM 310 CB ASP A 22 7.306 7.510 -0.003 1.00 0.00 C ATOM 311 CG ASP A 22 6.327 6.646 0.765 1.00 0.00 C ATOM 312 OD1 ASP A 22 5.722 7.151 1.733 1.00 0.00 O ATOM 313 OD2 ASP A 22 6.171 5.461 0.402 1.00 0.00 O ATOM 0 H ASP A 22 8.567 9.114 -1.374 1.00 0.00 H new ATOM 0 HA ASP A 22 6.043 7.902 -1.694 1.00 0.00 H new ATOM 0 HB2 ASP A 22 7.985 6.870 -0.566 1.00 0.00 H new ATOM 0 HB3 ASP A 22 7.914 8.077 0.702 1.00 0.00 H new ATOM 318 N SER A 23 6.083 10.613 0.043 1.00 0.00 N ATOM 319 CA SER A 23 5.272 11.579 0.749 1.00 0.00 C ATOM 320 C SER A 23 4.059 11.973 -0.087 1.00 0.00 C ATOM 321 O SER A 23 2.921 11.904 0.375 1.00 0.00 O ATOM 322 CB SER A 23 6.117 12.815 1.056 1.00 0.00 C ATOM 323 OG SER A 23 5.895 13.278 2.375 1.00 0.00 O ATOM 0 H SER A 23 6.997 10.963 -0.245 1.00 0.00 H new ATOM 0 HA SER A 23 4.917 11.135 1.679 1.00 0.00 H new ATOM 0 HB2 SER A 23 7.173 12.577 0.925 1.00 0.00 H new ATOM 0 HB3 SER A 23 5.878 13.607 0.346 1.00 0.00 H new ATOM 0 HG SER A 23 6.745 13.297 2.863 1.00 0.00 H new ATOM 329 N PHE A 24 4.318 12.388 -1.324 1.00 0.00 N ATOM 330 CA PHE A 24 3.256 12.813 -2.227 1.00 0.00 C ATOM 331 C PHE A 24 2.805 11.705 -3.182 1.00 0.00 C ATOM 332 O PHE A 24 1.785 11.852 -3.854 1.00 0.00 O ATOM 333 CB PHE A 24 3.711 14.028 -3.038 1.00 0.00 C ATOM 334 CG PHE A 24 4.840 13.730 -3.983 1.00 0.00 C ATOM 335 CD1 PHE A 24 4.595 13.134 -5.210 1.00 0.00 C ATOM 336 CD2 PHE A 24 6.145 14.050 -3.645 1.00 0.00 C ATOM 337 CE1 PHE A 24 5.631 12.859 -6.082 1.00 0.00 C ATOM 338 CE2 PHE A 24 7.186 13.778 -4.514 1.00 0.00 C ATOM 339 CZ PHE A 24 6.929 13.183 -5.734 1.00 0.00 C ATOM 0 H PHE A 24 5.255 12.439 -1.723 1.00 0.00 H new ATOM 0 HA PHE A 24 2.401 13.072 -1.602 1.00 0.00 H new ATOM 0 HB2 PHE A 24 2.864 14.413 -3.606 1.00 0.00 H new ATOM 0 HB3 PHE A 24 4.020 14.817 -2.353 1.00 0.00 H new ATOM 0 HD1 PHE A 24 3.582 12.882 -5.488 1.00 0.00 H new ATOM 0 HD2 PHE A 24 6.351 14.517 -2.693 1.00 0.00 H new ATOM 0 HE1 PHE A 24 5.427 12.392 -7.034 1.00 0.00 H new ATOM 0 HE2 PHE A 24 8.199 14.031 -4.239 1.00 0.00 H new ATOM 0 HZ PHE A 24 7.741 12.971 -6.414 1.00 0.00 H new ATOM 349 N ASP A 25 3.547 10.598 -3.253 1.00 0.00 N ATOM 350 CA ASP A 25 3.169 9.522 -4.172 1.00 0.00 C ATOM 351 C ASP A 25 3.869 8.193 -3.865 1.00 0.00 C ATOM 352 O ASP A 25 4.999 7.964 -4.300 1.00 0.00 O ATOM 353 CB ASP A 25 3.479 9.954 -5.607 1.00 0.00 C ATOM 354 CG ASP A 25 2.934 8.989 -6.640 1.00 0.00 C ATOM 355 OD1 ASP A 25 1.706 8.757 -6.647 1.00 0.00 O ATOM 356 OD2 ASP A 25 3.733 8.473 -7.449 1.00 0.00 O ATOM 0 H ASP A 25 4.389 10.425 -2.703 1.00 0.00 H new ATOM 0 HA ASP A 25 2.101 9.347 -4.044 1.00 0.00 H new ATOM 0 HB2 ASP A 25 3.058 10.944 -5.783 1.00 0.00 H new ATOM 0 HB3 ASP A 25 4.559 10.040 -5.731 1.00 0.00 H new ATOM 361 N HIS A 26 3.192 7.320 -3.114 1.00 0.00 N ATOM 362 CA HIS A 26 3.735 5.996 -2.784 1.00 0.00 C ATOM 363 C HIS A 26 3.740 5.086 -4.017 1.00 0.00 C ATOM 364 O HIS A 26 4.353 4.019 -4.006 1.00 0.00 O ATOM 365 CB HIS A 26 2.912 5.320 -1.679 1.00 0.00 C ATOM 366 CG HIS A 26 2.966 6.001 -0.345 1.00 0.00 C ATOM 367 ND1 HIS A 26 3.540 5.613 0.818 1.00 0.00 N flip ATOM 368 CD2 HIS A 26 2.355 7.210 -0.082 1.00 0.00 C flip ATOM 369 CE1 HIS A 26 3.267 6.582 1.752 1.00 0.00 C flip ATOM 370 NE2 HIS A 26 2.553 7.533 1.186 1.00 0.00 N flip ATOM 0 H HIS A 26 2.268 7.504 -2.723 1.00 0.00 H new ATOM 0 HA HIS A 26 4.756 6.146 -2.434 1.00 0.00 H new ATOM 0 HB2 HIS A 26 1.872 5.267 -2.002 1.00 0.00 H new ATOM 0 HB3 HIS A 26 3.262 4.294 -1.561 1.00 0.00 H new ATOM 0 HD1 HIS A 26 4.076 4.759 0.972 1.00 0.00 H new ATOM 0 HD2 HIS A 26 1.802 7.800 -0.798 1.00 0.00 H new ATOM 0 HE1 HIS A 26 3.586 6.567 2.784 1.00 0.00 H new ATOM 379 N LYS A 27 3.045 5.498 -5.080 1.00 0.00 N ATOM 380 CA LYS A 27 2.969 4.713 -6.298 1.00 0.00 C ATOM 381 C LYS A 27 4.348 4.220 -6.718 1.00 0.00 C ATOM 382 O LYS A 27 4.556 3.023 -6.886 1.00 0.00 O ATOM 383 CB LYS A 27 2.325 5.543 -7.401 1.00 0.00 C ATOM 384 CG LYS A 27 0.841 5.795 -7.177 1.00 0.00 C ATOM 385 CD LYS A 27 0.018 5.372 -8.378 1.00 0.00 C ATOM 386 CE LYS A 27 -0.341 3.901 -8.312 1.00 0.00 C ATOM 387 NZ LYS A 27 -1.536 3.657 -7.457 1.00 0.00 N ATOM 0 H LYS A 27 2.527 6.376 -5.114 1.00 0.00 H new ATOM 0 HA LYS A 27 2.352 3.834 -6.113 1.00 0.00 H new ATOM 0 HB2 LYS A 27 2.842 6.500 -7.475 1.00 0.00 H new ATOM 0 HB3 LYS A 27 2.460 5.034 -8.355 1.00 0.00 H new ATOM 0 HG2 LYS A 27 0.507 5.248 -6.295 1.00 0.00 H new ATOM 0 HG3 LYS A 27 0.677 6.854 -6.977 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -0.893 5.969 -8.425 1.00 0.00 H new ATOM 0 HD3 LYS A 27 0.577 5.571 -9.292 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -0.533 3.529 -9.318 1.00 0.00 H new ATOM 0 HE3 LYS A 27 0.506 3.338 -7.920 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -1.839 2.667 -7.559 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -1.296 3.845 -6.463 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -2.308 4.288 -7.752 1.00 0.00 H new ATOM 401 N LYS A 28 5.299 5.135 -6.854 1.00 0.00 N ATOM 402 CA LYS A 28 6.651 4.746 -7.229 1.00 0.00 C ATOM 403 C LYS A 28 7.180 3.782 -6.187 1.00 0.00 C ATOM 404 O LYS A 28 7.731 2.728 -6.508 1.00 0.00 O ATOM 405 CB LYS A 28 7.566 5.966 -7.307 1.00 0.00 C ATOM 406 CG LYS A 28 7.482 6.733 -8.620 1.00 0.00 C ATOM 407 CD LYS A 28 6.093 7.303 -8.862 1.00 0.00 C ATOM 408 CE LYS A 28 5.229 6.348 -9.671 1.00 0.00 C ATOM 409 NZ LYS A 28 3.912 6.952 -10.016 1.00 0.00 N ATOM 0 H LYS A 28 5.163 6.136 -6.713 1.00 0.00 H new ATOM 0 HA LYS A 28 6.629 4.274 -8.211 1.00 0.00 H new ATOM 0 HB2 LYS A 28 7.320 6.643 -6.489 1.00 0.00 H new ATOM 0 HB3 LYS A 28 8.596 5.643 -7.154 1.00 0.00 H new ATOM 0 HG2 LYS A 28 8.210 7.544 -8.613 1.00 0.00 H new ATOM 0 HG3 LYS A 28 7.750 6.071 -9.444 1.00 0.00 H new ATOM 0 HD2 LYS A 28 5.612 7.509 -7.906 1.00 0.00 H new ATOM 0 HD3 LYS A 28 6.176 8.254 -9.388 1.00 0.00 H new ATOM 0 HE2 LYS A 28 5.753 6.070 -10.586 1.00 0.00 H new ATOM 0 HE3 LYS A 28 5.071 5.431 -9.103 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 3.214 6.197 -10.173 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 3.594 7.561 -9.235 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 4.007 7.521 -10.882 1.00 0.00 H new ATOM 423 N PHE A 29 7.004 4.162 -4.928 1.00 0.00 N ATOM 424 CA PHE A 29 7.420 3.327 -3.813 1.00 0.00 C ATOM 425 C PHE A 29 6.845 1.918 -3.977 1.00 0.00 C ATOM 426 O PHE A 29 7.468 0.934 -3.589 1.00 0.00 O ATOM 427 CB PHE A 29 6.961 3.950 -2.483 1.00 0.00 C ATOM 428 CG PHE A 29 6.973 2.991 -1.324 1.00 0.00 C ATOM 429 CD1 PHE A 29 8.162 2.453 -0.865 1.00 0.00 C ATOM 430 CD2 PHE A 29 5.789 2.620 -0.707 1.00 0.00 C ATOM 431 CE1 PHE A 29 8.172 1.562 0.189 1.00 0.00 C ATOM 432 CE2 PHE A 29 5.792 1.728 0.346 1.00 0.00 C ATOM 433 CZ PHE A 29 6.984 1.198 0.795 1.00 0.00 C ATOM 0 H PHE A 29 6.575 5.046 -4.655 1.00 0.00 H new ATOM 0 HA PHE A 29 8.508 3.260 -3.802 1.00 0.00 H new ATOM 0 HB2 PHE A 29 7.606 4.797 -2.248 1.00 0.00 H new ATOM 0 HB3 PHE A 29 5.952 4.343 -2.606 1.00 0.00 H new ATOM 0 HD1 PHE A 29 9.092 2.733 -1.336 1.00 0.00 H new ATOM 0 HD2 PHE A 29 4.854 3.033 -1.054 1.00 0.00 H new ATOM 0 HE1 PHE A 29 9.107 1.150 0.540 1.00 0.00 H new ATOM 0 HE2 PHE A 29 4.863 1.445 0.818 1.00 0.00 H new ATOM 0 HZ PHE A 29 6.989 0.500 1.619 1.00 0.00 H new ATOM 443 N PHE A 30 5.651 1.844 -4.559 1.00 0.00 N ATOM 444 CA PHE A 30 4.982 0.567 -4.787 1.00 0.00 C ATOM 445 C PHE A 30 5.822 -0.332 -5.683 1.00 0.00 C ATOM 446 O PHE A 30 5.811 -1.557 -5.548 1.00 0.00 O ATOM 447 CB PHE A 30 3.614 0.799 -5.423 1.00 0.00 C ATOM 448 CG PHE A 30 2.514 0.082 -4.705 1.00 0.00 C ATOM 449 CD1 PHE A 30 1.896 0.656 -3.606 1.00 0.00 C ATOM 450 CD2 PHE A 30 2.108 -1.174 -5.116 1.00 0.00 C ATOM 451 CE1 PHE A 30 0.890 -0.010 -2.933 1.00 0.00 C ATOM 452 CE2 PHE A 30 1.105 -1.845 -4.449 1.00 0.00 C ATOM 453 CZ PHE A 30 0.494 -1.263 -3.355 1.00 0.00 C ATOM 0 H PHE A 30 5.126 2.656 -4.882 1.00 0.00 H new ATOM 0 HA PHE A 30 4.853 0.072 -3.824 1.00 0.00 H new ATOM 0 HB2 PHE A 30 3.399 1.868 -5.433 1.00 0.00 H new ATOM 0 HB3 PHE A 30 3.640 0.469 -6.461 1.00 0.00 H new ATOM 0 HD1 PHE A 30 2.204 1.636 -3.271 1.00 0.00 H new ATOM 0 HD2 PHE A 30 2.582 -1.635 -5.970 1.00 0.00 H new ATOM 0 HE1 PHE A 30 0.415 0.449 -2.079 1.00 0.00 H new ATOM 0 HE2 PHE A 30 0.797 -2.825 -4.782 1.00 0.00 H new ATOM 0 HZ PHE A 30 -0.292 -1.787 -2.831 1.00 0.00 H new ATOM 463 N GLN A 31 6.535 0.290 -6.608 1.00 0.00 N ATOM 464 CA GLN A 31 7.392 -0.431 -7.542 1.00 0.00 C ATOM 465 C GLN A 31 8.754 -0.718 -6.917 1.00 0.00 C ATOM 466 O GLN A 31 9.293 -1.816 -7.058 1.00 0.00 O ATOM 467 CB GLN A 31 7.543 0.382 -8.829 1.00 0.00 C ATOM 468 CG GLN A 31 6.279 1.120 -9.234 1.00 0.00 C ATOM 469 CD GLN A 31 6.372 1.722 -10.623 1.00 0.00 C ATOM 470 OE1 GLN A 31 7.045 1.185 -11.502 1.00 0.00 O ATOM 471 NE2 GLN A 31 5.695 2.847 -10.826 1.00 0.00 N ATOM 0 H GLN A 31 6.538 1.302 -6.734 1.00 0.00 H new ATOM 0 HA GLN A 31 6.930 -1.389 -7.781 1.00 0.00 H new ATOM 0 HB2 GLN A 31 8.350 1.104 -8.700 1.00 0.00 H new ATOM 0 HB3 GLN A 31 7.839 -0.286 -9.638 1.00 0.00 H new ATOM 0 HG2 GLN A 31 5.434 0.433 -9.196 1.00 0.00 H new ATOM 0 HG3 GLN A 31 6.078 1.912 -8.512 1.00 0.00 H new ATOM 0 HE21 GLN A 31 5.150 3.258 -10.068 1.00 0.00 H new ATOM 0 HE22 GLN A 31 5.721 3.300 -11.740 1.00 0.00 H new ATOM 480 N MET A 32 9.303 0.276 -6.232 1.00 0.00 N ATOM 481 CA MET A 32 10.601 0.139 -5.579 1.00 0.00 C ATOM 482 C MET A 32 10.518 -0.758 -4.351 1.00 0.00 C ATOM 483 O MET A 32 11.455 -1.484 -4.035 1.00 0.00 O ATOM 484 CB MET A 32 11.119 1.506 -5.172 1.00 0.00 C ATOM 485 CG MET A 32 11.051 2.516 -6.294 1.00 0.00 C ATOM 486 SD MET A 32 12.108 2.086 -7.693 1.00 0.00 S ATOM 487 CE MET A 32 11.021 1.038 -8.656 1.00 0.00 C ATOM 0 H MET A 32 8.868 1.191 -6.113 1.00 0.00 H new ATOM 0 HA MET A 32 11.285 -0.322 -6.291 1.00 0.00 H new ATOM 0 HB2 MET A 32 10.539 1.872 -4.325 1.00 0.00 H new ATOM 0 HB3 MET A 32 12.151 1.413 -4.835 1.00 0.00 H new ATOM 0 HG2 MET A 32 10.020 2.601 -6.637 1.00 0.00 H new ATOM 0 HG3 MET A 32 11.342 3.495 -5.913 1.00 0.00 H new ATOM 0 HE1 MET A 32 11.212 1.194 -9.718 1.00 0.00 H new ATOM 0 HE2 MET A 32 11.205 -0.006 -8.404 1.00 0.00 H new ATOM 0 HE3 MET A 32 9.984 1.288 -8.434 1.00 0.00 H new ATOM 497 N VAL A 33 9.377 -0.704 -3.673 1.00 0.00 N ATOM 498 CA VAL A 33 9.157 -1.480 -2.458 1.00 0.00 C ATOM 499 C VAL A 33 9.132 -2.975 -2.729 1.00 0.00 C ATOM 500 O VAL A 33 9.393 -3.785 -1.838 1.00 0.00 O ATOM 501 CB VAL A 33 7.836 -1.071 -1.788 1.00 0.00 C ATOM 502 CG1 VAL A 33 6.653 -1.427 -2.671 1.00 0.00 C ATOM 503 CG2 VAL A 33 7.696 -1.728 -0.435 1.00 0.00 C ATOM 0 H VAL A 33 8.583 -0.125 -3.948 1.00 0.00 H new ATOM 0 HA VAL A 33 9.994 -1.266 -1.794 1.00 0.00 H new ATOM 0 HB VAL A 33 7.850 0.010 -1.647 1.00 0.00 H new ATOM 0 HG11 VAL A 33 5.728 -1.129 -2.178 1.00 0.00 H new ATOM 0 HG12 VAL A 33 6.740 -0.905 -3.624 1.00 0.00 H new ATOM 0 HG13 VAL A 33 6.640 -2.503 -2.846 1.00 0.00 H new ATOM 0 HG21 VAL A 33 6.754 -1.424 0.021 1.00 0.00 H new ATOM 0 HG22 VAL A 33 7.709 -2.811 -0.554 1.00 0.00 H new ATOM 0 HG23 VAL A 33 8.524 -1.423 0.205 1.00 0.00 H new ATOM 513 N GLY A 34 8.818 -3.335 -3.958 1.00 0.00 N ATOM 514 CA GLY A 34 8.763 -4.734 -4.328 1.00 0.00 C ATOM 515 C GLY A 34 7.360 -5.310 -4.256 1.00 0.00 C ATOM 516 O GLY A 34 7.184 -6.528 -4.298 1.00 0.00 O ATOM 0 H GLY A 34 8.599 -2.683 -4.711 1.00 0.00 H new ATOM 0 HA2 GLY A 34 9.147 -4.852 -5.341 1.00 0.00 H new ATOM 0 HA3 GLY A 34 9.419 -5.305 -3.670 1.00 0.00 H new ATOM 520 N LEU A 35 6.358 -4.440 -4.149 1.00 0.00 N ATOM 521 CA LEU A 35 4.973 -4.886 -4.088 1.00 0.00 C ATOM 522 C LEU A 35 4.618 -5.571 -5.394 1.00 0.00 C ATOM 523 O LEU A 35 3.827 -6.513 -5.433 1.00 0.00 O ATOM 524 CB LEU A 35 4.038 -3.703 -3.839 1.00 0.00 C ATOM 525 CG LEU A 35 3.674 -3.454 -2.376 1.00 0.00 C ATOM 526 CD1 LEU A 35 3.385 -1.980 -2.140 1.00 0.00 C ATOM 527 CD2 LEU A 35 2.473 -4.298 -1.991 1.00 0.00 C ATOM 0 H LEU A 35 6.481 -3.428 -4.103 1.00 0.00 H new ATOM 0 HA LEU A 35 4.856 -5.588 -3.262 1.00 0.00 H new ATOM 0 HB2 LEU A 35 4.504 -2.802 -4.238 1.00 0.00 H new ATOM 0 HB3 LEU A 35 3.119 -3.863 -4.403 1.00 0.00 H new ATOM 0 HG LEU A 35 4.520 -3.739 -1.751 1.00 0.00 H new ATOM 0 HD11 LEU A 35 3.128 -1.823 -1.093 1.00 0.00 H new ATOM 0 HD12 LEU A 35 4.268 -1.392 -2.389 1.00 0.00 H new ATOM 0 HD13 LEU A 35 2.552 -1.667 -2.769 1.00 0.00 H new ATOM 0 HD21 LEU A 35 2.219 -4.115 -0.947 1.00 0.00 H new ATOM 0 HD22 LEU A 35 1.625 -4.033 -2.622 1.00 0.00 H new ATOM 0 HD23 LEU A 35 2.711 -5.353 -2.127 1.00 0.00 H new ATOM 539 N LYS A 36 5.224 -5.075 -6.466 1.00 0.00 N ATOM 540 CA LYS A 36 5.021 -5.627 -7.794 1.00 0.00 C ATOM 541 C LYS A 36 6.046 -6.730 -8.079 1.00 0.00 C ATOM 542 O LYS A 36 5.878 -7.515 -9.013 1.00 0.00 O ATOM 543 CB LYS A 36 5.164 -4.524 -8.840 1.00 0.00 C ATOM 544 CG LYS A 36 4.086 -3.448 -8.771 1.00 0.00 C ATOM 545 CD LYS A 36 4.669 -2.050 -8.993 1.00 0.00 C ATOM 546 CE LYS A 36 5.649 -2.019 -10.156 1.00 0.00 C ATOM 547 NZ LYS A 36 5.068 -2.616 -11.390 1.00 0.00 N ATOM 0 H LYS A 36 5.866 -4.283 -6.437 1.00 0.00 H new ATOM 0 HA LYS A 36 4.019 -6.052 -7.842 1.00 0.00 H new ATOM 0 HB2 LYS A 36 6.139 -4.052 -8.722 1.00 0.00 H new ATOM 0 HB3 LYS A 36 5.146 -4.976 -9.832 1.00 0.00 H new ATOM 0 HG2 LYS A 36 3.323 -3.648 -9.523 1.00 0.00 H new ATOM 0 HG3 LYS A 36 3.594 -3.487 -7.799 1.00 0.00 H new ATOM 0 HD2 LYS A 36 3.859 -1.345 -9.183 1.00 0.00 H new ATOM 0 HD3 LYS A 36 5.173 -1.719 -8.085 1.00 0.00 H new ATOM 0 HE2 LYS A 36 5.943 -0.988 -10.355 1.00 0.00 H new ATOM 0 HE3 LYS A 36 6.554 -2.561 -9.882 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 5.380 -2.072 -12.219 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 5.387 -3.601 -11.482 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 4.030 -2.593 -11.331 1.00 0.00 H new ATOM 561 N LYS A 37 7.111 -6.782 -7.267 1.00 0.00 N ATOM 562 CA LYS A 37 8.177 -7.769 -7.430 1.00 0.00 C ATOM 563 C LYS A 37 7.645 -9.142 -7.835 1.00 0.00 C ATOM 564 O LYS A 37 8.283 -9.859 -8.604 1.00 0.00 O ATOM 565 CB LYS A 37 8.998 -7.881 -6.140 1.00 0.00 C ATOM 566 CG LYS A 37 10.165 -8.850 -6.253 1.00 0.00 C ATOM 567 CD LYS A 37 10.893 -9.000 -4.928 1.00 0.00 C ATOM 568 CE LYS A 37 12.085 -9.936 -5.051 1.00 0.00 C ATOM 569 NZ LYS A 37 13.075 -9.448 -6.051 1.00 0.00 N ATOM 0 H LYS A 37 7.254 -6.143 -6.485 1.00 0.00 H new ATOM 0 HA LYS A 37 8.816 -7.419 -8.241 1.00 0.00 H new ATOM 0 HB2 LYS A 37 9.378 -6.895 -5.872 1.00 0.00 H new ATOM 0 HB3 LYS A 37 8.345 -8.202 -5.328 1.00 0.00 H new ATOM 0 HG2 LYS A 37 9.801 -9.823 -6.582 1.00 0.00 H new ATOM 0 HG3 LYS A 37 10.861 -8.496 -7.014 1.00 0.00 H new ATOM 0 HD2 LYS A 37 11.231 -8.022 -4.584 1.00 0.00 H new ATOM 0 HD3 LYS A 37 10.205 -9.383 -4.174 1.00 0.00 H new ATOM 0 HE2 LYS A 37 12.570 -10.036 -4.080 1.00 0.00 H new ATOM 0 HE3 LYS A 37 11.739 -10.929 -5.338 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 13.978 -9.946 -5.917 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 12.718 -9.630 -7.011 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 13.222 -8.426 -5.924 1.00 0.00 H new ATOM 583 N LYS A 38 6.477 -9.508 -7.319 1.00 0.00 N ATOM 584 CA LYS A 38 5.884 -10.798 -7.649 1.00 0.00 C ATOM 585 C LYS A 38 4.501 -10.622 -8.285 1.00 0.00 C ATOM 586 O LYS A 38 4.401 -10.339 -9.479 1.00 0.00 O ATOM 587 CB LYS A 38 5.808 -11.685 -6.403 1.00 0.00 C ATOM 588 CG LYS A 38 7.156 -12.014 -5.796 1.00 0.00 C ATOM 589 CD LYS A 38 6.985 -12.745 -4.480 1.00 0.00 C ATOM 590 CE LYS A 38 8.267 -12.738 -3.663 1.00 0.00 C ATOM 591 NZ LYS A 38 8.096 -13.427 -2.356 1.00 0.00 N ATOM 0 H LYS A 38 5.927 -8.937 -6.677 1.00 0.00 H new ATOM 0 HA LYS A 38 6.523 -11.291 -8.382 1.00 0.00 H new ATOM 0 HB2 LYS A 38 5.195 -11.187 -5.652 1.00 0.00 H new ATOM 0 HB3 LYS A 38 5.301 -12.615 -6.662 1.00 0.00 H new ATOM 0 HG2 LYS A 38 7.732 -12.629 -6.488 1.00 0.00 H new ATOM 0 HG3 LYS A 38 7.723 -11.097 -5.637 1.00 0.00 H new ATOM 0 HD2 LYS A 38 6.185 -12.278 -3.906 1.00 0.00 H new ATOM 0 HD3 LYS A 38 6.681 -13.774 -4.672 1.00 0.00 H new ATOM 0 HE2 LYS A 38 9.061 -13.225 -4.229 1.00 0.00 H new ATOM 0 HE3 LYS A 38 8.583 -11.709 -3.492 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 8.193 -12.737 -1.584 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 7.153 -13.863 -2.314 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 8.823 -14.164 -2.254 1.00 0.00 H new ATOM 605 N SER A 39 3.434 -10.786 -7.498 1.00 0.00 N ATOM 606 CA SER A 39 2.083 -10.637 -8.017 1.00 0.00 C ATOM 607 C SER A 39 1.154 -10.057 -6.959 1.00 0.00 C ATOM 608 O SER A 39 1.569 -9.799 -5.829 1.00 0.00 O ATOM 609 CB SER A 39 1.549 -11.987 -8.500 1.00 0.00 C ATOM 610 OG SER A 39 2.344 -12.505 -9.553 1.00 0.00 O ATOM 0 H SER A 39 3.484 -11.020 -6.507 1.00 0.00 H new ATOM 0 HA SER A 39 2.118 -9.946 -8.859 1.00 0.00 H new ATOM 0 HB2 SER A 39 1.535 -12.693 -7.670 1.00 0.00 H new ATOM 0 HB3 SER A 39 0.520 -11.873 -8.840 1.00 0.00 H new ATOM 0 HG SER A 39 1.982 -13.369 -9.842 1.00 0.00 H new ATOM 616 N ALA A 40 -0.105 -9.854 -7.327 1.00 0.00 N ATOM 617 CA ALA A 40 -1.089 -9.315 -6.404 1.00 0.00 C ATOM 618 C ALA A 40 -1.353 -10.281 -5.254 1.00 0.00 C ATOM 619 O ALA A 40 -1.697 -9.864 -4.149 1.00 0.00 O ATOM 620 CB ALA A 40 -2.378 -9.007 -7.146 1.00 0.00 C ATOM 0 H ALA A 40 -0.466 -10.055 -8.259 1.00 0.00 H new ATOM 0 HA ALA A 40 -0.693 -8.393 -5.979 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -3.112 -8.603 -6.448 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -2.181 -8.275 -7.929 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -2.768 -9.921 -7.593 1.00 0.00 H new ATOM 626 N ASP A 41 -1.187 -11.574 -5.522 1.00 0.00 N ATOM 627 CA ASP A 41 -1.411 -12.598 -4.507 1.00 0.00 C ATOM 628 C ASP A 41 -0.419 -12.454 -3.356 1.00 0.00 C ATOM 629 O ASP A 41 -0.811 -12.435 -2.188 1.00 0.00 O ATOM 630 CB ASP A 41 -1.304 -13.996 -5.123 1.00 0.00 C ATOM 631 CG ASP A 41 0.052 -14.257 -5.747 1.00 0.00 C ATOM 632 OD1 ASP A 41 1.015 -14.516 -4.992 1.00 0.00 O ATOM 633 OD2 ASP A 41 0.152 -14.209 -6.990 1.00 0.00 O ATOM 0 H ASP A 41 -0.899 -11.936 -6.431 1.00 0.00 H new ATOM 0 HA ASP A 41 -2.418 -12.463 -4.111 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -1.495 -14.744 -4.353 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -2.078 -14.115 -5.882 1.00 0.00 H new ATOM 638 N ASP A 42 0.865 -12.353 -3.687 1.00 0.00 N ATOM 639 CA ASP A 42 1.902 -12.207 -2.671 1.00 0.00 C ATOM 640 C ASP A 42 1.603 -11.006 -1.780 1.00 0.00 C ATOM 641 O ASP A 42 1.572 -11.119 -0.554 1.00 0.00 O ATOM 642 CB ASP A 42 3.273 -12.043 -3.330 1.00 0.00 C ATOM 643 CG ASP A 42 3.642 -13.230 -4.202 1.00 0.00 C ATOM 644 OD1 ASP A 42 4.220 -14.200 -3.669 1.00 0.00 O ATOM 645 OD2 ASP A 42 3.355 -13.187 -5.415 1.00 0.00 O ATOM 0 H ASP A 42 1.211 -12.369 -4.646 1.00 0.00 H new ATOM 0 HA ASP A 42 1.914 -13.107 -2.056 1.00 0.00 H new ATOM 0 HB2 ASP A 42 3.276 -11.136 -3.935 1.00 0.00 H new ATOM 0 HB3 ASP A 42 4.031 -11.913 -2.558 1.00 0.00 H new ATOM 650 N VAL A 43 1.383 -9.856 -2.408 1.00 0.00 N ATOM 651 CA VAL A 43 1.068 -8.632 -1.682 1.00 0.00 C ATOM 652 C VAL A 43 -0.224 -8.803 -0.888 1.00 0.00 C ATOM 653 O VAL A 43 -0.361 -8.293 0.223 1.00 0.00 O ATOM 654 CB VAL A 43 0.922 -7.437 -2.645 1.00 0.00 C ATOM 655 CG1 VAL A 43 2.246 -7.139 -3.335 1.00 0.00 C ATOM 656 CG2 VAL A 43 -0.167 -7.712 -3.671 1.00 0.00 C ATOM 0 H VAL A 43 1.417 -9.746 -3.422 1.00 0.00 H new ATOM 0 HA VAL A 43 1.892 -8.431 -0.997 1.00 0.00 H new ATOM 0 HB VAL A 43 0.635 -6.560 -2.065 1.00 0.00 H new ATOM 0 HG11 VAL A 43 2.122 -6.292 -4.010 1.00 0.00 H new ATOM 0 HG12 VAL A 43 3.000 -6.898 -2.586 1.00 0.00 H new ATOM 0 HG13 VAL A 43 2.565 -8.013 -3.903 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -0.257 -6.859 -4.343 1.00 0.00 H new ATOM 0 HG22 VAL A 43 0.091 -8.601 -4.246 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -1.116 -7.873 -3.160 1.00 0.00 H new ATOM 666 N LYS A 44 -1.152 -9.553 -1.467 1.00 0.00 N ATOM 667 CA LYS A 44 -2.450 -9.814 -0.852 1.00 0.00 C ATOM 668 C LYS A 44 -2.298 -10.295 0.583 1.00 0.00 C ATOM 669 O LYS A 44 -3.167 -10.073 1.417 1.00 0.00 O ATOM 670 CB LYS A 44 -3.202 -10.874 -1.652 1.00 0.00 C ATOM 671 CG LYS A 44 -4.666 -10.533 -1.893 1.00 0.00 C ATOM 672 CD LYS A 44 -5.360 -11.600 -2.716 1.00 0.00 C ATOM 673 CE LYS A 44 -5.678 -12.801 -1.858 1.00 0.00 C ATOM 674 NZ LYS A 44 -6.645 -13.725 -2.515 1.00 0.00 N ATOM 0 H LYS A 44 -1.028 -9.998 -2.376 1.00 0.00 H new ATOM 0 HA LYS A 44 -3.008 -8.878 -0.850 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -2.707 -11.011 -2.613 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -3.142 -11.826 -1.124 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -5.176 -10.422 -0.936 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -4.737 -9.574 -2.406 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -6.278 -11.198 -3.145 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -4.723 -11.898 -3.549 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -4.757 -13.340 -1.636 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -6.089 -12.466 -0.906 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -6.833 -14.534 -1.889 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -7.534 -13.220 -2.704 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -6.244 -14.067 -3.412 1.00 0.00 H new ATOM 688 N LYS A 45 -1.198 -10.963 0.862 1.00 0.00 N ATOM 689 CA LYS A 45 -0.964 -11.500 2.192 1.00 0.00 C ATOM 690 C LYS A 45 -1.027 -10.393 3.229 1.00 0.00 C ATOM 691 O LYS A 45 -1.750 -10.499 4.222 1.00 0.00 O ATOM 692 CB LYS A 45 0.393 -12.196 2.258 1.00 0.00 C ATOM 693 CG LYS A 45 0.314 -13.714 2.287 1.00 0.00 C ATOM 694 CD LYS A 45 -0.189 -14.285 0.969 1.00 0.00 C ATOM 695 CE LYS A 45 -1.699 -14.160 0.832 1.00 0.00 C ATOM 696 NZ LYS A 45 -2.416 -14.680 2.031 1.00 0.00 N ATOM 0 H LYS A 45 -0.453 -11.148 0.191 1.00 0.00 H new ATOM 0 HA LYS A 45 -1.744 -12.230 2.407 1.00 0.00 H new ATOM 0 HB2 LYS A 45 0.988 -11.891 1.397 1.00 0.00 H new ATOM 0 HB3 LYS A 45 0.921 -11.854 3.148 1.00 0.00 H new ATOM 0 HG2 LYS A 45 1.300 -14.124 2.507 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -0.349 -14.027 3.094 1.00 0.00 H new ATOM 0 HD2 LYS A 45 0.294 -13.766 0.141 1.00 0.00 H new ATOM 0 HD3 LYS A 45 0.096 -15.335 0.897 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -1.963 -13.114 0.678 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -2.029 -14.706 -0.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -3.282 -15.172 1.731 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -1.800 -15.344 2.543 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -2.666 -13.888 2.657 1.00 0.00 H new ATOM 710 N VAL A 46 -0.287 -9.319 2.984 1.00 0.00 N ATOM 711 CA VAL A 46 -0.270 -8.202 3.913 1.00 0.00 C ATOM 712 C VAL A 46 -1.693 -7.708 4.160 1.00 0.00 C ATOM 713 O VAL A 46 -1.999 -7.162 5.220 1.00 0.00 O ATOM 714 CB VAL A 46 0.628 -7.036 3.410 1.00 0.00 C ATOM 715 CG1 VAL A 46 -0.102 -6.128 2.424 1.00 0.00 C ATOM 716 CG2 VAL A 46 1.149 -6.232 4.592 1.00 0.00 C ATOM 0 H VAL A 46 0.302 -9.200 2.160 1.00 0.00 H new ATOM 0 HA VAL A 46 0.159 -8.558 4.850 1.00 0.00 H new ATOM 0 HB VAL A 46 1.469 -7.477 2.874 1.00 0.00 H new ATOM 0 HG11 VAL A 46 0.566 -5.329 2.102 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -0.416 -6.710 1.558 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -0.978 -5.695 2.908 1.00 0.00 H new ATOM 0 HG21 VAL A 46 1.777 -5.418 4.230 1.00 0.00 H new ATOM 0 HG22 VAL A 46 0.309 -5.821 5.151 1.00 0.00 H new ATOM 0 HG23 VAL A 46 1.736 -6.880 5.243 1.00 0.00 H new ATOM 726 N PHE A 47 -2.560 -7.911 3.169 1.00 0.00 N ATOM 727 CA PHE A 47 -3.940 -7.474 3.275 1.00 0.00 C ATOM 728 C PHE A 47 -4.582 -7.969 4.555 1.00 0.00 C ATOM 729 O PHE A 47 -5.196 -7.207 5.273 1.00 0.00 O ATOM 730 CB PHE A 47 -4.781 -7.962 2.109 1.00 0.00 C ATOM 731 CG PHE A 47 -6.183 -7.420 2.132 1.00 0.00 C ATOM 732 CD1 PHE A 47 -6.413 -6.056 2.197 1.00 0.00 C ATOM 733 CD2 PHE A 47 -7.269 -8.278 2.097 1.00 0.00 C ATOM 734 CE1 PHE A 47 -7.702 -5.558 2.225 1.00 0.00 C ATOM 735 CE2 PHE A 47 -8.561 -7.786 2.125 1.00 0.00 C ATOM 736 CZ PHE A 47 -8.776 -6.425 2.189 1.00 0.00 C ATOM 0 H PHE A 47 -2.327 -8.373 2.290 1.00 0.00 H new ATOM 0 HA PHE A 47 -3.909 -6.384 3.271 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -4.300 -7.673 1.175 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -4.818 -9.051 2.125 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -5.576 -5.374 2.226 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -7.105 -9.344 2.047 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -7.869 -4.492 2.275 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -9.400 -8.466 2.097 1.00 0.00 H new ATOM 0 HZ PHE A 47 -9.784 -6.038 2.211 1.00 0.00 H new ATOM 746 N HIS A 48 -4.442 -9.256 4.831 1.00 0.00 N ATOM 747 CA HIS A 48 -5.041 -9.835 6.023 1.00 0.00 C ATOM 748 C HIS A 48 -4.363 -9.295 7.269 1.00 0.00 C ATOM 749 O HIS A 48 -4.964 -9.224 8.340 1.00 0.00 O ATOM 750 CB HIS A 48 -4.944 -11.362 5.982 1.00 0.00 C ATOM 751 CG HIS A 48 -5.505 -12.032 7.199 1.00 0.00 C ATOM 752 ND1 HIS A 48 -6.779 -12.561 7.246 1.00 0.00 N ATOM 753 CD2 HIS A 48 -4.958 -12.262 8.416 1.00 0.00 C ATOM 754 CE1 HIS A 48 -6.990 -13.086 8.440 1.00 0.00 C ATOM 755 NE2 HIS A 48 -5.901 -12.918 9.167 1.00 0.00 N ATOM 0 H HIS A 48 -3.923 -9.915 4.251 1.00 0.00 H new ATOM 0 HA HIS A 48 -6.094 -9.557 6.052 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -5.471 -11.728 5.101 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -3.898 -11.648 5.869 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -3.965 -11.982 8.736 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -7.899 -13.570 8.766 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -5.780 -13.226 10.132 1.00 0.00 H new ATOM 764 N ILE A 49 -3.104 -8.916 7.116 1.00 0.00 N ATOM 765 CA ILE A 49 -2.331 -8.363 8.211 1.00 0.00 C ATOM 766 C ILE A 49 -2.853 -6.986 8.588 1.00 0.00 C ATOM 767 O ILE A 49 -3.096 -6.694 9.760 1.00 0.00 O ATOM 768 CB ILE A 49 -0.853 -8.236 7.821 1.00 0.00 C ATOM 769 CG1 ILE A 49 -0.318 -9.601 7.370 1.00 0.00 C ATOM 770 CG2 ILE A 49 -0.046 -7.676 8.988 1.00 0.00 C ATOM 771 CD1 ILE A 49 1.190 -9.696 7.343 1.00 0.00 C ATOM 0 H ILE A 49 -2.594 -8.983 6.235 1.00 0.00 H new ATOM 0 HA ILE A 49 -2.428 -9.040 9.060 1.00 0.00 H new ATOM 0 HB ILE A 49 -0.754 -7.540 6.988 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -0.708 -10.370 8.037 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -0.703 -9.819 6.374 1.00 0.00 H new ATOM 0 HG21 ILE A 49 1.001 -7.591 8.698 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -0.430 -6.692 9.256 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -0.132 -8.345 9.844 1.00 0.00 H new ATOM 0 HD11 ILE A 49 1.486 -10.692 7.014 1.00 0.00 H new ATOM 0 HD12 ILE A 49 1.589 -8.952 6.653 1.00 0.00 H new ATOM 0 HD13 ILE A 49 1.584 -9.512 8.343 1.00 0.00 H new ATOM 783 N LEU A 50 -3.019 -6.148 7.576 1.00 0.00 N ATOM 784 CA LEU A 50 -3.487 -4.789 7.761 1.00 0.00 C ATOM 785 C LEU A 50 -5.015 -4.676 7.739 1.00 0.00 C ATOM 786 O LEU A 50 -5.579 -3.757 8.334 1.00 0.00 O ATOM 787 CB LEU A 50 -2.868 -3.931 6.665 1.00 0.00 C ATOM 788 CG LEU A 50 -3.268 -4.298 5.234 1.00 0.00 C ATOM 789 CD1 LEU A 50 -4.567 -3.613 4.843 1.00 0.00 C ATOM 790 CD2 LEU A 50 -2.156 -3.928 4.262 1.00 0.00 C ATOM 0 H LEU A 50 -2.832 -6.394 6.604 1.00 0.00 H new ATOM 0 HA LEU A 50 -3.180 -4.444 8.748 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -3.141 -2.891 6.844 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -1.783 -3.994 6.748 1.00 0.00 H new ATOM 0 HG LEU A 50 -3.426 -5.376 5.189 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -4.831 -3.889 3.822 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -5.362 -3.926 5.520 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -4.442 -2.532 4.906 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -2.455 -4.195 3.248 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -1.969 -2.855 4.314 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -1.247 -4.468 4.526 1.00 0.00 H new ATOM 802 N ASP A 51 -5.681 -5.602 7.056 1.00 0.00 N ATOM 803 CA ASP A 51 -7.143 -5.578 6.952 1.00 0.00 C ATOM 804 C ASP A 51 -7.818 -6.366 8.077 1.00 0.00 C ATOM 805 O ASP A 51 -9.045 -6.402 8.161 1.00 0.00 O ATOM 806 CB ASP A 51 -7.585 -6.151 5.604 1.00 0.00 C ATOM 807 CG ASP A 51 -9.001 -5.751 5.237 1.00 0.00 C ATOM 808 OD1 ASP A 51 -9.947 -6.339 5.799 1.00 0.00 O ATOM 809 OD2 ASP A 51 -9.162 -4.850 4.388 1.00 0.00 O ATOM 0 H ASP A 51 -5.236 -6.378 6.566 1.00 0.00 H new ATOM 0 HA ASP A 51 -7.451 -4.536 7.038 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -6.902 -5.809 4.826 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -7.515 -7.238 5.635 1.00 0.00 H new ATOM 814 N LYS A 52 -7.026 -6.996 8.938 1.00 0.00 N ATOM 815 CA LYS A 52 -7.567 -7.786 10.037 1.00 0.00 C ATOM 816 C LYS A 52 -8.667 -7.036 10.786 1.00 0.00 C ATOM 817 O LYS A 52 -9.663 -7.630 11.199 1.00 0.00 O ATOM 818 CB LYS A 52 -6.450 -8.170 11.005 1.00 0.00 C ATOM 819 CG LYS A 52 -5.783 -6.977 11.659 1.00 0.00 C ATOM 820 CD LYS A 52 -4.916 -7.406 12.827 1.00 0.00 C ATOM 821 CE LYS A 52 -4.043 -6.264 13.310 1.00 0.00 C ATOM 822 NZ LYS A 52 -3.307 -6.611 14.556 1.00 0.00 N ATOM 0 H LYS A 52 -6.007 -6.975 8.896 1.00 0.00 H new ATOM 0 HA LYS A 52 -8.008 -8.687 9.610 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -6.858 -8.819 11.780 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -5.698 -8.749 10.469 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -5.174 -6.450 10.925 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -6.543 -6.276 12.005 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -5.548 -7.755 13.644 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -4.289 -8.246 12.528 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -3.330 -5.999 12.530 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -4.662 -5.385 13.488 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -2.723 -5.803 14.851 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -3.987 -6.839 15.309 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -2.696 -7.434 14.380 1.00 0.00 H new ATOM 836 N ASP A 53 -8.485 -5.731 10.960 1.00 0.00 N ATOM 837 CA ASP A 53 -9.465 -4.914 11.669 1.00 0.00 C ATOM 838 C ASP A 53 -10.189 -3.964 10.720 1.00 0.00 C ATOM 839 O ASP A 53 -10.668 -2.908 11.133 1.00 0.00 O ATOM 840 CB ASP A 53 -8.786 -4.116 12.784 1.00 0.00 C ATOM 841 CG ASP A 53 -8.117 -5.009 13.812 1.00 0.00 C ATOM 842 OD1 ASP A 53 -8.839 -5.617 14.631 1.00 0.00 O ATOM 843 OD2 ASP A 53 -6.872 -5.095 13.803 1.00 0.00 O ATOM 0 H ASP A 53 -7.671 -5.217 10.621 1.00 0.00 H new ATOM 0 HA ASP A 53 -10.203 -5.587 12.106 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -8.042 -3.449 12.348 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -9.526 -3.488 13.280 1.00 0.00 H new ATOM 848 N LYS A 54 -10.268 -4.341 9.449 1.00 0.00 N ATOM 849 CA LYS A 54 -10.939 -3.513 8.453 1.00 0.00 C ATOM 850 C LYS A 54 -12.174 -4.208 7.875 1.00 0.00 C ATOM 851 O LYS A 54 -12.743 -3.750 6.885 1.00 0.00 O ATOM 852 CB LYS A 54 -9.975 -3.137 7.341 1.00 0.00 C ATOM 853 CG LYS A 54 -8.645 -2.613 7.850 1.00 0.00 C ATOM 854 CD LYS A 54 -8.829 -1.370 8.703 1.00 0.00 C ATOM 855 CE LYS A 54 -7.504 -0.872 9.254 1.00 0.00 C ATOM 856 NZ LYS A 54 -7.666 0.371 10.056 1.00 0.00 N ATOM 0 H LYS A 54 -9.878 -5.210 9.085 1.00 0.00 H new ATOM 0 HA LYS A 54 -11.276 -2.605 8.954 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -9.797 -4.010 6.713 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -10.438 -2.379 6.709 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -8.147 -3.387 8.434 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -7.995 -2.384 7.005 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -9.295 -0.585 8.108 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -9.507 -1.590 9.527 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -7.055 -1.648 9.874 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -6.816 -0.685 8.430 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -6.876 0.456 10.727 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -7.672 1.195 9.422 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -8.563 0.331 10.580 1.00 0.00 H new ATOM 870 N SER A 55 -12.575 -5.322 8.492 1.00 0.00 N ATOM 871 CA SER A 55 -13.756 -6.071 8.061 1.00 0.00 C ATOM 872 C SER A 55 -13.666 -6.514 6.600 1.00 0.00 C ATOM 873 O SER A 55 -14.677 -6.864 5.991 1.00 0.00 O ATOM 874 CB SER A 55 -15.027 -5.243 8.276 1.00 0.00 C ATOM 875 OG SER A 55 -15.060 -4.115 7.420 1.00 0.00 O ATOM 0 H SER A 55 -12.095 -5.726 9.296 1.00 0.00 H new ATOM 0 HA SER A 55 -13.799 -6.971 8.675 1.00 0.00 H new ATOM 0 HB2 SER A 55 -15.903 -5.865 8.094 1.00 0.00 H new ATOM 0 HB3 SER A 55 -15.078 -4.915 9.314 1.00 0.00 H new ATOM 0 HG SER A 55 -14.276 -4.127 6.832 1.00 0.00 H new ATOM 881 N GLY A 56 -12.463 -6.499 6.039 1.00 0.00 N ATOM 882 CA GLY A 56 -12.292 -6.929 4.661 1.00 0.00 C ATOM 883 C GLY A 56 -12.167 -5.784 3.670 1.00 0.00 C ATOM 884 O GLY A 56 -11.945 -6.016 2.482 1.00 0.00 O ATOM 0 H GLY A 56 -11.608 -6.200 6.508 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -11.401 -7.554 4.594 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -13.140 -7.551 4.377 1.00 0.00 H new ATOM 888 N PHE A 57 -12.318 -4.551 4.141 1.00 0.00 N ATOM 889 CA PHE A 57 -12.206 -3.391 3.261 1.00 0.00 C ATOM 890 C PHE A 57 -11.443 -2.259 3.923 1.00 0.00 C ATOM 891 O PHE A 57 -11.711 -1.901 5.068 1.00 0.00 O ATOM 892 CB PHE A 57 -13.587 -2.877 2.840 1.00 0.00 C ATOM 893 CG PHE A 57 -14.264 -3.737 1.811 1.00 0.00 C ATOM 894 CD1 PHE A 57 -14.800 -4.966 2.158 1.00 0.00 C ATOM 895 CD2 PHE A 57 -14.368 -3.313 0.496 1.00 0.00 C ATOM 896 CE1 PHE A 57 -15.425 -5.757 1.214 1.00 0.00 C ATOM 897 CE2 PHE A 57 -14.992 -4.098 -0.453 1.00 0.00 C ATOM 898 CZ PHE A 57 -15.522 -5.322 -0.094 1.00 0.00 C ATOM 0 H PHE A 57 -12.516 -4.329 5.117 1.00 0.00 H new ATOM 0 HA PHE A 57 -11.658 -3.722 2.379 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -14.225 -2.811 3.722 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -13.484 -1.866 2.445 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -14.728 -5.310 3.179 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -13.956 -2.357 0.210 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -15.837 -6.714 1.498 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -15.066 -3.756 -1.475 1.00 0.00 H new ATOM 0 HZ PHE A 57 -16.011 -5.938 -0.834 1.00 0.00 H new ATOM 908 N ILE A 58 -10.504 -1.690 3.185 1.00 0.00 N ATOM 909 CA ILE A 58 -9.723 -0.573 3.682 1.00 0.00 C ATOM 910 C ILE A 58 -10.252 0.683 3.050 1.00 0.00 C ATOM 911 O ILE A 58 -10.401 0.767 1.837 1.00 0.00 O ATOM 912 CB ILE A 58 -8.221 -0.707 3.366 1.00 0.00 C ATOM 913 CG1 ILE A 58 -7.791 -2.174 3.372 1.00 0.00 C ATOM 914 CG2 ILE A 58 -7.403 0.089 4.371 1.00 0.00 C ATOM 915 CD1 ILE A 58 -6.438 -2.405 2.738 1.00 0.00 C ATOM 0 H ILE A 58 -10.265 -1.985 2.238 1.00 0.00 H new ATOM 0 HA ILE A 58 -9.818 -0.550 4.768 1.00 0.00 H new ATOM 0 HB ILE A 58 -8.042 -0.306 2.368 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -7.768 -2.534 4.401 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -8.538 -2.766 2.843 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -6.343 -0.012 4.139 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -7.687 1.140 4.320 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -7.592 -0.290 5.375 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -6.195 -3.467 2.776 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -6.462 -2.075 1.699 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -5.681 -1.840 3.281 1.00 0.00 H new ATOM 927 N GLU A 59 -10.518 1.661 3.878 1.00 0.00 N ATOM 928 CA GLU A 59 -11.089 2.891 3.416 1.00 0.00 C ATOM 929 C GLU A 59 -10.061 3.994 3.341 1.00 0.00 C ATOM 930 O GLU A 59 -9.151 4.077 4.148 1.00 0.00 O ATOM 931 CB GLU A 59 -12.234 3.260 4.344 1.00 0.00 C ATOM 932 CG GLU A 59 -12.632 4.725 4.334 1.00 0.00 C ATOM 933 CD GLU A 59 -13.964 4.974 5.012 1.00 0.00 C ATOM 934 OE1 GLU A 59 -15.002 4.919 4.320 1.00 0.00 O ATOM 935 OE2 GLU A 59 -13.970 5.226 6.236 1.00 0.00 O ATOM 0 H GLU A 59 -10.345 1.624 4.883 1.00 0.00 H new ATOM 0 HA GLU A 59 -11.463 2.759 2.401 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -13.105 2.662 4.075 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -11.959 2.982 5.362 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -11.860 5.310 4.833 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -12.682 5.077 3.303 1.00 0.00 H new ATOM 942 N GLU A 60 -10.253 4.838 2.357 1.00 0.00 N ATOM 943 CA GLU A 60 -9.366 5.971 2.108 1.00 0.00 C ATOM 944 C GLU A 60 -9.028 6.713 3.398 1.00 0.00 C ATOM 945 O GLU A 60 -7.869 7.045 3.650 1.00 0.00 O ATOM 946 CB GLU A 60 -10.016 6.921 1.107 1.00 0.00 C ATOM 947 CG GLU A 60 -11.461 7.194 1.433 1.00 0.00 C ATOM 948 CD GLU A 60 -11.707 8.626 1.865 1.00 0.00 C ATOM 949 OE1 GLU A 60 -11.944 9.479 0.984 1.00 0.00 O ATOM 950 OE2 GLU A 60 -11.659 8.894 3.083 1.00 0.00 O ATOM 0 H GLU A 60 -11.029 4.767 1.698 1.00 0.00 H new ATOM 0 HA GLU A 60 -8.433 5.588 1.695 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -9.465 7.862 1.092 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -9.946 6.494 0.106 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -12.074 6.973 0.559 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -11.783 6.520 2.227 1.00 0.00 H new ATOM 957 N ASP A 61 -10.043 6.967 4.214 1.00 0.00 N ATOM 958 CA ASP A 61 -9.854 7.669 5.477 1.00 0.00 C ATOM 959 C ASP A 61 -8.963 6.869 6.421 1.00 0.00 C ATOM 960 O ASP A 61 -7.987 7.394 6.955 1.00 0.00 O ATOM 961 CB ASP A 61 -11.207 7.940 6.140 1.00 0.00 C ATOM 962 CG ASP A 61 -11.064 8.630 7.483 1.00 0.00 C ATOM 963 OD1 ASP A 61 -10.982 9.876 7.504 1.00 0.00 O ATOM 964 OD2 ASP A 61 -11.037 7.925 8.514 1.00 0.00 O ATOM 0 H ASP A 61 -11.008 6.697 4.023 1.00 0.00 H new ATOM 0 HA ASP A 61 -9.363 8.619 5.265 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -11.815 8.558 5.480 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -11.739 6.998 6.273 1.00 0.00 H new ATOM 969 N GLU A 62 -9.298 5.597 6.624 1.00 0.00 N ATOM 970 CA GLU A 62 -8.512 4.741 7.510 1.00 0.00 C ATOM 971 C GLU A 62 -7.231 4.257 6.826 1.00 0.00 C ATOM 972 O GLU A 62 -6.323 3.740 7.479 1.00 0.00 O ATOM 973 CB GLU A 62 -9.347 3.542 7.961 1.00 0.00 C ATOM 974 CG GLU A 62 -10.592 3.928 8.743 1.00 0.00 C ATOM 975 CD GLU A 62 -11.410 2.721 9.166 1.00 0.00 C ATOM 976 OE1 GLU A 62 -11.142 2.176 10.257 1.00 0.00 O ATOM 977 OE2 GLU A 62 -12.315 2.323 8.405 1.00 0.00 O ATOM 0 H GLU A 62 -10.101 5.139 6.192 1.00 0.00 H new ATOM 0 HA GLU A 62 -8.228 5.332 8.381 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -9.643 2.965 7.085 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -8.728 2.890 8.578 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -10.300 4.494 9.628 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -11.211 4.587 8.133 1.00 0.00 H new ATOM 984 N LEU A 63 -7.160 4.438 5.511 1.00 0.00 N ATOM 985 CA LEU A 63 -6.012 4.014 4.726 1.00 0.00 C ATOM 986 C LEU A 63 -4.731 4.655 5.231 1.00 0.00 C ATOM 987 O LEU A 63 -3.696 3.998 5.344 1.00 0.00 O ATOM 988 CB LEU A 63 -6.233 4.367 3.250 1.00 0.00 C ATOM 989 CG LEU A 63 -5.469 3.490 2.243 1.00 0.00 C ATOM 990 CD1 LEU A 63 -4.082 3.134 2.761 1.00 0.00 C ATOM 991 CD2 LEU A 63 -6.261 2.231 1.926 1.00 0.00 C ATOM 0 H LEU A 63 -7.897 4.882 4.963 1.00 0.00 H new ATOM 0 HA LEU A 63 -5.909 2.934 4.829 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -7.299 4.297 3.032 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -5.943 5.406 3.095 1.00 0.00 H new ATOM 0 HG LEU A 63 -5.345 4.064 1.325 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -3.568 2.514 2.027 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -3.511 4.047 2.929 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -4.173 2.586 3.699 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -5.706 1.622 1.212 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -6.421 1.662 2.842 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -7.224 2.506 1.497 1.00 0.00 H new ATOM 1003 N GLY A 64 -4.811 5.937 5.536 1.00 0.00 N ATOM 1004 CA GLY A 64 -3.649 6.658 6.020 1.00 0.00 C ATOM 1005 C GLY A 64 -3.176 6.164 7.370 1.00 0.00 C ATOM 1006 O GLY A 64 -2.001 6.302 7.713 1.00 0.00 O ATOM 0 H GLY A 64 -5.660 6.496 5.458 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -2.839 6.560 5.298 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -3.888 7.719 6.089 1.00 0.00 H new ATOM 1010 N SER A 65 -4.089 5.585 8.140 1.00 0.00 N ATOM 1011 CA SER A 65 -3.751 5.065 9.458 1.00 0.00 C ATOM 1012 C SER A 65 -3.129 3.683 9.334 1.00 0.00 C ATOM 1013 O SER A 65 -2.003 3.450 9.771 1.00 0.00 O ATOM 1014 CB SER A 65 -5.002 4.990 10.332 1.00 0.00 C ATOM 1015 OG SER A 65 -5.628 6.258 10.441 1.00 0.00 O ATOM 0 H SER A 65 -5.067 5.464 7.875 1.00 0.00 H new ATOM 0 HA SER A 65 -3.031 5.739 9.923 1.00 0.00 H new ATOM 0 HB2 SER A 65 -5.703 4.271 9.908 1.00 0.00 H new ATOM 0 HB3 SER A 65 -4.734 4.627 11.324 1.00 0.00 H new ATOM 0 HG SER A 65 -6.427 6.181 11.004 1.00 0.00 H new ATOM 1021 N ILE A 66 -3.879 2.771 8.732 1.00 0.00 N ATOM 1022 CA ILE A 66 -3.423 1.402 8.532 1.00 0.00 C ATOM 1023 C ILE A 66 -2.174 1.348 7.650 1.00 0.00 C ATOM 1024 O ILE A 66 -1.482 0.331 7.609 1.00 0.00 O ATOM 1025 CB ILE A 66 -4.529 0.544 7.896 1.00 0.00 C ATOM 1026 CG1 ILE A 66 -4.093 -0.909 7.808 1.00 0.00 C ATOM 1027 CG2 ILE A 66 -4.891 1.079 6.519 1.00 0.00 C ATOM 1028 CD1 ILE A 66 -3.628 -1.486 9.127 1.00 0.00 C ATOM 0 H ILE A 66 -4.815 2.957 8.370 1.00 0.00 H new ATOM 0 HA ILE A 66 -3.174 1.003 9.515 1.00 0.00 H new ATOM 0 HB ILE A 66 -5.414 0.597 8.529 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -4.924 -1.506 7.433 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -3.286 -0.993 7.080 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -5.675 0.460 6.083 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -5.247 2.105 6.609 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -4.011 1.055 5.877 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -3.333 -2.526 8.985 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -2.776 -0.914 9.494 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -4.440 -1.435 9.853 1.00 0.00 H new ATOM 1040 N LEU A 67 -1.888 2.440 6.943 1.00 0.00 N ATOM 1041 CA LEU A 67 -0.723 2.504 6.071 1.00 0.00 C ATOM 1042 C LEU A 67 0.548 2.212 6.851 1.00 0.00 C ATOM 1043 O LEU A 67 1.503 1.629 6.331 1.00 0.00 O ATOM 1044 CB LEU A 67 -0.629 3.899 5.457 1.00 0.00 C ATOM 1045 CG LEU A 67 -0.291 3.944 3.968 1.00 0.00 C ATOM 1046 CD1 LEU A 67 1.182 3.666 3.754 1.00 0.00 C ATOM 1047 CD2 LEU A 67 -1.134 2.954 3.183 1.00 0.00 C ATOM 0 H LEU A 67 -2.449 3.292 6.959 1.00 0.00 H new ATOM 0 HA LEU A 67 -0.832 1.755 5.286 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -1.580 4.409 5.611 1.00 0.00 H new ATOM 0 HB3 LEU A 67 0.128 4.465 6.000 1.00 0.00 H new ATOM 0 HG LEU A 67 -0.518 4.945 3.602 1.00 0.00 H new ATOM 0 HD11 LEU A 67 1.408 3.701 2.688 1.00 0.00 H new ATOM 0 HD12 LEU A 67 1.774 4.418 4.276 1.00 0.00 H new ATOM 0 HD13 LEU A 67 1.426 2.678 4.144 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -0.871 3.009 2.127 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -0.948 1.945 3.551 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -2.189 3.196 3.307 1.00 0.00 H new ATOM 1059 N LYS A 68 0.530 2.604 8.113 1.00 0.00 N ATOM 1060 CA LYS A 68 1.668 2.436 8.993 1.00 0.00 C ATOM 1061 C LYS A 68 2.217 1.014 8.950 1.00 0.00 C ATOM 1062 O LYS A 68 3.374 0.785 9.297 1.00 0.00 O ATOM 1063 CB LYS A 68 1.266 2.821 10.408 1.00 0.00 C ATOM 1064 CG LYS A 68 0.749 4.248 10.507 1.00 0.00 C ATOM 1065 CD LYS A 68 -0.096 4.449 11.752 1.00 0.00 C ATOM 1066 CE LYS A 68 0.720 4.247 13.018 1.00 0.00 C ATOM 1067 NZ LYS A 68 -0.105 4.417 14.247 1.00 0.00 N ATOM 0 H LYS A 68 -0.275 3.048 8.555 1.00 0.00 H new ATOM 0 HA LYS A 68 2.470 3.090 8.651 1.00 0.00 H new ATOM 0 HB2 LYS A 68 0.496 2.135 10.761 1.00 0.00 H new ATOM 0 HB3 LYS A 68 2.125 2.704 11.069 1.00 0.00 H new ATOM 0 HG2 LYS A 68 1.590 4.941 10.522 1.00 0.00 H new ATOM 0 HG3 LYS A 68 0.157 4.484 9.622 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -0.519 5.453 11.747 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -0.933 3.750 11.742 1.00 0.00 H new ATOM 0 HE2 LYS A 68 1.159 3.249 13.011 1.00 0.00 H new ATOM 0 HE3 LYS A 68 1.546 4.958 13.034 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 0.490 4.271 15.087 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -0.503 5.377 14.268 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -0.878 3.721 14.245 1.00 0.00 H new ATOM 1081 N GLY A 69 1.393 0.053 8.526 1.00 0.00 N ATOM 1082 CA GLY A 69 1.853 -1.328 8.435 1.00 0.00 C ATOM 1083 C GLY A 69 3.230 -1.419 7.800 1.00 0.00 C ATOM 1084 O GLY A 69 4.147 -2.016 8.367 1.00 0.00 O ATOM 0 H GLY A 69 0.424 0.204 8.246 1.00 0.00 H new ATOM 0 HA2 GLY A 69 1.882 -1.769 9.431 1.00 0.00 H new ATOM 0 HA3 GLY A 69 1.142 -1.911 7.849 1.00 0.00 H new ATOM 1088 N PHE A 70 3.369 -0.827 6.618 1.00 0.00 N ATOM 1089 CA PHE A 70 4.646 -0.809 5.916 1.00 0.00 C ATOM 1090 C PHE A 70 5.362 0.512 6.193 1.00 0.00 C ATOM 1091 O PHE A 70 6.563 0.547 6.458 1.00 0.00 O ATOM 1092 CB PHE A 70 4.466 -1.015 4.401 1.00 0.00 C ATOM 1093 CG PHE A 70 3.101 -0.649 3.874 1.00 0.00 C ATOM 1094 CD1 PHE A 70 2.023 -1.497 4.077 1.00 0.00 C ATOM 1095 CD2 PHE A 70 2.894 0.532 3.172 1.00 0.00 C ATOM 1096 CE1 PHE A 70 0.768 -1.179 3.595 1.00 0.00 C ATOM 1097 CE2 PHE A 70 1.636 0.857 2.685 1.00 0.00 C ATOM 1098 CZ PHE A 70 0.575 -0.002 2.899 1.00 0.00 C ATOM 0 H PHE A 70 2.611 -0.353 6.126 1.00 0.00 H new ATOM 0 HA PHE A 70 5.251 -1.637 6.286 1.00 0.00 H new ATOM 0 HB2 PHE A 70 5.215 -0.422 3.876 1.00 0.00 H new ATOM 0 HB3 PHE A 70 4.664 -2.060 4.164 1.00 0.00 H new ATOM 0 HD1 PHE A 70 2.167 -2.420 4.620 1.00 0.00 H new ATOM 0 HD2 PHE A 70 3.722 1.205 3.003 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -0.061 -1.850 3.762 1.00 0.00 H new ATOM 0 HE2 PHE A 70 1.487 1.778 2.141 1.00 0.00 H new ATOM 0 HZ PHE A 70 -0.406 0.247 2.522 1.00 0.00 H new ATOM 1108 N SER A 71 4.578 1.587 6.174 1.00 0.00 N ATOM 1109 CA SER A 71 5.067 2.947 6.395 1.00 0.00 C ATOM 1110 C SER A 71 5.489 3.207 7.843 1.00 0.00 C ATOM 1111 O SER A 71 5.887 4.321 8.175 1.00 0.00 O ATOM 1112 CB SER A 71 4.010 3.967 5.972 1.00 0.00 C ATOM 1113 OG SER A 71 2.759 3.689 6.575 1.00 0.00 O ATOM 0 H SER A 71 3.574 1.539 6.003 1.00 0.00 H new ATOM 0 HA SER A 71 5.959 3.058 5.779 1.00 0.00 H new ATOM 0 HB2 SER A 71 4.336 4.969 6.250 1.00 0.00 H new ATOM 0 HB3 SER A 71 3.904 3.956 4.887 1.00 0.00 H new ATOM 0 HG SER A 71 2.269 3.041 6.027 1.00 0.00 H new ATOM 1119 N SER A 72 5.381 2.205 8.715 1.00 0.00 N ATOM 1120 CA SER A 72 5.758 2.384 10.119 1.00 0.00 C ATOM 1121 C SER A 72 7.107 3.098 10.240 1.00 0.00 C ATOM 1122 O SER A 72 7.383 3.750 11.247 1.00 0.00 O ATOM 1123 CB SER A 72 5.826 1.030 10.831 1.00 0.00 C ATOM 1124 OG SER A 72 6.329 1.174 12.149 1.00 0.00 O ATOM 0 H SER A 72 5.041 1.273 8.480 1.00 0.00 H new ATOM 0 HA SER A 72 4.995 3.001 10.593 1.00 0.00 H new ATOM 0 HB2 SER A 72 4.833 0.582 10.864 1.00 0.00 H new ATOM 0 HB3 SER A 72 6.464 0.350 10.267 1.00 0.00 H new ATOM 0 HG SER A 72 6.362 0.297 12.584 1.00 0.00 H new ATOM 1130 N ASP A 73 7.942 2.971 9.212 1.00 0.00 N ATOM 1131 CA ASP A 73 9.241 3.633 9.201 1.00 0.00 C ATOM 1132 C ASP A 73 9.122 5.015 8.559 1.00 0.00 C ATOM 1133 O ASP A 73 9.861 5.939 8.899 1.00 0.00 O ATOM 1134 CB ASP A 73 10.269 2.784 8.461 1.00 0.00 C ATOM 1135 CG ASP A 73 11.592 3.502 8.266 1.00 0.00 C ATOM 1136 OD1 ASP A 73 11.739 4.213 7.250 1.00 0.00 O ATOM 1137 OD2 ASP A 73 12.482 3.353 9.130 1.00 0.00 O ATOM 0 H ASP A 73 7.742 2.417 8.379 1.00 0.00 H new ATOM 0 HA ASP A 73 9.579 3.755 10.230 1.00 0.00 H new ATOM 0 HB2 ASP A 73 10.439 1.862 9.016 1.00 0.00 H new ATOM 0 HB3 ASP A 73 9.867 2.501 7.488 1.00 0.00 H new ATOM 1142 N ALA A 74 8.182 5.140 7.624 1.00 0.00 N ATOM 1143 CA ALA A 74 7.934 6.400 6.930 1.00 0.00 C ATOM 1144 C ALA A 74 6.859 7.209 7.660 1.00 0.00 C ATOM 1145 O ALA A 74 6.691 7.069 8.873 1.00 0.00 O ATOM 1146 CB ALA A 74 7.523 6.130 5.489 1.00 0.00 C ATOM 0 H ALA A 74 7.575 4.376 7.328 1.00 0.00 H new ATOM 0 HA ALA A 74 8.853 6.986 6.923 1.00 0.00 H new ATOM 0 HB1 ALA A 74 7.340 7.076 4.979 1.00 0.00 H new ATOM 0 HB2 ALA A 74 8.321 5.591 4.978 1.00 0.00 H new ATOM 0 HB3 ALA A 74 6.613 5.529 5.476 1.00 0.00 H new ATOM 1152 N ARG A 75 6.127 8.054 6.931 1.00 0.00 N ATOM 1153 CA ARG A 75 5.081 8.869 7.539 1.00 0.00 C ATOM 1154 C ARG A 75 3.725 8.169 7.482 1.00 0.00 C ATOM 1155 O ARG A 75 3.383 7.409 8.386 1.00 0.00 O ATOM 1156 CB ARG A 75 5.006 10.242 6.870 1.00 0.00 C ATOM 1157 CG ARG A 75 6.234 11.104 7.115 1.00 0.00 C ATOM 1158 CD ARG A 75 6.054 12.505 6.552 1.00 0.00 C ATOM 1159 NE ARG A 75 4.926 13.200 7.167 1.00 0.00 N ATOM 1160 CZ ARG A 75 4.735 14.513 7.079 1.00 0.00 C ATOM 1161 NH1 ARG A 75 5.590 15.265 6.400 1.00 0.00 N ATOM 1162 NH2 ARG A 75 3.687 15.074 7.666 1.00 0.00 N ATOM 0 H ARG A 75 6.240 8.189 5.926 1.00 0.00 H new ATOM 0 HA ARG A 75 5.340 9.009 8.588 1.00 0.00 H new ATOM 0 HB2 ARG A 75 4.875 10.107 5.796 1.00 0.00 H new ATOM 0 HB3 ARG A 75 4.124 10.768 7.236 1.00 0.00 H new ATOM 0 HG2 ARG A 75 6.430 11.164 8.186 1.00 0.00 H new ATOM 0 HG3 ARG A 75 7.105 10.636 6.657 1.00 0.00 H new ATOM 0 HD2 ARG A 75 6.966 13.080 6.713 1.00 0.00 H new ATOM 0 HD3 ARG A 75 5.900 12.446 5.475 1.00 0.00 H new ATOM 0 HE ARG A 75 4.248 12.648 7.693 1.00 0.00 H new ATOM 0 HH11 ARG A 75 6.396 14.837 5.944 1.00 0.00 H new ATOM 0 HH12 ARG A 75 5.442 16.272 6.333 1.00 0.00 H new ATOM 0 HH21 ARG A 75 3.025 14.498 8.186 1.00 0.00 H new ATOM 0 HH22 ARG A 75 3.543 16.081 7.597 1.00 0.00 H new ATOM 1176 N ASP A 76 2.958 8.418 6.418 1.00 0.00 N ATOM 1177 CA ASP A 76 1.635 7.809 6.271 1.00 0.00 C ATOM 1178 C ASP A 76 0.845 8.456 5.134 1.00 0.00 C ATOM 1179 O ASP A 76 0.880 9.673 4.948 1.00 0.00 O ATOM 1180 CB ASP A 76 0.839 7.941 7.574 1.00 0.00 C ATOM 1181 CG ASP A 76 0.905 9.341 8.153 1.00 0.00 C ATOM 1182 OD1 ASP A 76 0.071 10.184 7.764 1.00 0.00 O ATOM 1183 OD2 ASP A 76 1.792 9.593 8.994 1.00 0.00 O ATOM 0 H ASP A 76 3.228 9.033 5.650 1.00 0.00 H new ATOM 0 HA ASP A 76 1.786 6.755 6.036 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -0.202 7.676 7.389 1.00 0.00 H new ATOM 0 HB3 ASP A 76 1.224 7.230 8.305 1.00 0.00 H new ATOM 1188 N LEU A 77 0.136 7.623 4.379 1.00 0.00 N ATOM 1189 CA LEU A 77 -0.698 8.080 3.268 1.00 0.00 C ATOM 1190 C LEU A 77 -1.553 9.272 3.698 1.00 0.00 C ATOM 1191 O LEU A 77 -2.651 9.100 4.223 1.00 0.00 O ATOM 1192 CB LEU A 77 -1.578 6.913 2.812 1.00 0.00 C ATOM 1193 CG LEU A 77 -2.881 7.268 2.094 1.00 0.00 C ATOM 1194 CD1 LEU A 77 -2.954 6.558 0.752 1.00 0.00 C ATOM 1195 CD2 LEU A 77 -4.067 6.887 2.956 1.00 0.00 C ATOM 0 H LEU A 77 0.122 6.613 4.518 1.00 0.00 H new ATOM 0 HA LEU A 77 -0.070 8.409 2.440 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -0.987 6.281 2.149 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -1.826 6.313 3.687 1.00 0.00 H new ATOM 0 HG LEU A 77 -2.905 8.343 1.918 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -3.887 6.820 0.252 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -2.111 6.864 0.132 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -2.916 5.480 0.908 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -4.991 7.143 2.437 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -4.046 5.815 3.151 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -4.019 7.429 3.901 1.00 0.00 H new ATOM 1207 N SER A 78 -1.040 10.478 3.472 1.00 0.00 N ATOM 1208 CA SER A 78 -1.756 11.690 3.848 1.00 0.00 C ATOM 1209 C SER A 78 -2.890 11.970 2.871 1.00 0.00 C ATOM 1210 O SER A 78 -3.197 11.147 2.008 1.00 0.00 O ATOM 1211 CB SER A 78 -0.796 12.881 3.890 1.00 0.00 C ATOM 1212 OG SER A 78 -0.228 13.125 2.615 1.00 0.00 O ATOM 0 H SER A 78 -0.134 10.641 3.032 1.00 0.00 H new ATOM 0 HA SER A 78 -2.182 11.542 4.840 1.00 0.00 H new ATOM 0 HB2 SER A 78 -1.329 13.769 4.230 1.00 0.00 H new ATOM 0 HB3 SER A 78 -0.004 12.688 4.613 1.00 0.00 H new ATOM 0 HG SER A 78 0.380 13.892 2.669 1.00 0.00 H new ATOM 1218 N ALA A 79 -3.513 13.137 3.011 1.00 0.00 N ATOM 1219 CA ALA A 79 -4.612 13.528 2.135 1.00 0.00 C ATOM 1220 C ALA A 79 -4.253 13.288 0.675 1.00 0.00 C ATOM 1221 O ALA A 79 -5.011 12.669 -0.073 1.00 0.00 O ATOM 1222 CB ALA A 79 -4.948 14.993 2.349 1.00 0.00 C ATOM 0 H ALA A 79 -3.275 13.828 3.723 1.00 0.00 H new ATOM 0 HA ALA A 79 -5.481 12.918 2.381 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -5.769 15.278 1.692 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -5.242 15.151 3.387 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -4.074 15.604 2.123 1.00 0.00 H new ATOM 1228 N LYS A 80 -3.089 13.786 0.284 1.00 0.00 N ATOM 1229 CA LYS A 80 -2.605 13.631 -1.081 1.00 0.00 C ATOM 1230 C LYS A 80 -2.671 12.176 -1.530 1.00 0.00 C ATOM 1231 O LYS A 80 -3.266 11.865 -2.556 1.00 0.00 O ATOM 1232 CB LYS A 80 -1.162 14.127 -1.187 1.00 0.00 C ATOM 1233 CG LYS A 80 -1.032 15.639 -1.160 1.00 0.00 C ATOM 1234 CD LYS A 80 0.423 16.070 -1.227 1.00 0.00 C ATOM 1235 CE LYS A 80 1.153 15.771 0.072 1.00 0.00 C ATOM 1236 NZ LYS A 80 2.552 16.281 0.054 1.00 0.00 N ATOM 0 H LYS A 80 -2.459 14.304 0.896 1.00 0.00 H new ATOM 0 HA LYS A 80 -3.248 14.225 -1.730 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -0.582 13.707 -0.366 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -0.725 13.750 -2.112 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -1.579 16.068 -1.999 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -1.487 16.029 -0.250 1.00 0.00 H new ATOM 0 HD2 LYS A 80 0.918 15.556 -2.051 1.00 0.00 H new ATOM 0 HD3 LYS A 80 0.478 17.138 -1.439 1.00 0.00 H new ATOM 0 HE2 LYS A 80 0.613 16.223 0.904 1.00 0.00 H new ATOM 0 HE3 LYS A 80 1.161 14.695 0.244 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 3.066 15.913 0.880 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 3.025 15.966 -0.817 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 2.543 17.320 0.086 1.00 0.00 H new ATOM 1250 N GLU A 81 -2.067 11.292 -0.747 1.00 0.00 N ATOM 1251 CA GLU A 81 -2.040 9.873 -1.065 1.00 0.00 C ATOM 1252 C GLU A 81 -3.405 9.242 -0.858 1.00 0.00 C ATOM 1253 O GLU A 81 -3.725 8.234 -1.479 1.00 0.00 O ATOM 1254 CB GLU A 81 -1.010 9.162 -0.192 1.00 0.00 C ATOM 1255 CG GLU A 81 0.295 9.929 -0.044 1.00 0.00 C ATOM 1256 CD GLU A 81 0.830 10.413 -1.372 1.00 0.00 C ATOM 1257 OE1 GLU A 81 1.562 9.645 -2.023 1.00 0.00 O ATOM 1258 OE2 GLU A 81 0.519 11.558 -1.761 1.00 0.00 O ATOM 0 H GLU A 81 -1.586 11.536 0.119 1.00 0.00 H new ATOM 0 HA GLU A 81 -1.765 9.767 -2.114 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -1.437 8.994 0.797 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -0.799 8.181 -0.619 1.00 0.00 H new ATOM 0 HG2 GLU A 81 0.139 10.783 0.615 1.00 0.00 H new ATOM 0 HG3 GLU A 81 1.038 9.289 0.433 1.00 0.00 H new ATOM 1265 N THR A 82 -4.213 9.803 0.022 1.00 0.00 N ATOM 1266 CA THR A 82 -5.533 9.243 0.222 1.00 0.00 C ATOM 1267 C THR A 82 -6.296 9.341 -1.093 1.00 0.00 C ATOM 1268 O THR A 82 -6.836 8.355 -1.603 1.00 0.00 O ATOM 1269 CB THR A 82 -6.299 10.005 1.321 1.00 0.00 C ATOM 1270 OG1 THR A 82 -5.639 9.842 2.583 1.00 0.00 O ATOM 1271 CG2 THR A 82 -7.728 9.510 1.425 1.00 0.00 C ATOM 0 H THR A 82 -3.989 10.619 0.592 1.00 0.00 H new ATOM 0 HA THR A 82 -5.438 8.204 0.539 1.00 0.00 H new ATOM 0 HB THR A 82 -6.316 11.062 1.054 1.00 0.00 H new ATOM 0 HG1 THR A 82 -4.738 10.225 2.533 1.00 0.00 H new ATOM 0 HG21 THR A 82 -8.248 10.063 2.207 1.00 0.00 H new ATOM 0 HG22 THR A 82 -8.236 9.663 0.473 1.00 0.00 H new ATOM 0 HG23 THR A 82 -7.728 8.448 1.670 1.00 0.00 H new ATOM 1279 N LYS A 83 -6.314 10.549 -1.634 1.00 0.00 N ATOM 1280 CA LYS A 83 -6.950 10.815 -2.910 1.00 0.00 C ATOM 1281 C LYS A 83 -6.077 10.352 -4.077 1.00 0.00 C ATOM 1282 O LYS A 83 -6.581 10.043 -5.151 1.00 0.00 O ATOM 1283 CB LYS A 83 -7.282 12.300 -3.043 1.00 0.00 C ATOM 1284 CG LYS A 83 -6.079 13.224 -2.935 1.00 0.00 C ATOM 1285 CD LYS A 83 -5.362 13.408 -4.270 1.00 0.00 C ATOM 1286 CE LYS A 83 -6.319 13.801 -5.385 1.00 0.00 C ATOM 1287 NZ LYS A 83 -7.257 14.877 -4.962 1.00 0.00 N ATOM 0 H LYS A 83 -5.889 11.369 -1.201 1.00 0.00 H new ATOM 0 HA LYS A 83 -7.879 10.245 -2.945 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -7.768 12.467 -4.004 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -8.003 12.569 -2.271 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -6.404 14.196 -2.564 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -5.379 12.820 -2.203 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -4.594 14.174 -4.166 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -4.854 12.482 -4.539 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -5.748 14.137 -6.251 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -6.889 12.926 -5.699 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -7.503 15.465 -5.783 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -8.121 14.450 -4.570 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -6.803 15.468 -4.237 1.00 0.00 H new ATOM 1301 N THR A 84 -4.759 10.344 -3.876 1.00 0.00 N ATOM 1302 CA THR A 84 -3.839 9.949 -4.938 1.00 0.00 C ATOM 1303 C THR A 84 -3.580 8.448 -4.965 1.00 0.00 C ATOM 1304 O THR A 84 -3.839 7.779 -5.964 1.00 0.00 O ATOM 1305 CB THR A 84 -2.490 10.691 -4.824 1.00 0.00 C ATOM 1306 OG1 THR A 84 -2.704 12.107 -4.893 1.00 0.00 O ATOM 1307 CG2 THR A 84 -1.538 10.271 -5.936 1.00 0.00 C ATOM 0 H THR A 84 -4.310 10.604 -2.998 1.00 0.00 H new ATOM 0 HA THR A 84 -4.331 10.227 -5.870 1.00 0.00 H new ATOM 0 HB THR A 84 -2.042 10.431 -3.865 1.00 0.00 H new ATOM 0 HG1 THR A 84 -2.734 12.478 -3.986 1.00 0.00 H new ATOM 0 HG21 THR A 84 -0.596 10.809 -5.831 1.00 0.00 H new ATOM 0 HG22 THR A 84 -1.353 9.199 -5.871 1.00 0.00 H new ATOM 0 HG23 THR A 84 -1.983 10.504 -6.903 1.00 0.00 H new ATOM 1315 N LEU A 85 -3.102 7.922 -3.851 1.00 0.00 N ATOM 1316 CA LEU A 85 -2.781 6.504 -3.748 1.00 0.00 C ATOM 1317 C LEU A 85 -4.015 5.634 -3.563 1.00 0.00 C ATOM 1318 O LEU A 85 -4.179 4.640 -4.271 1.00 0.00 O ATOM 1319 CB LEU A 85 -1.802 6.265 -2.609 1.00 0.00 C ATOM 1320 CG LEU A 85 -0.334 6.328 -3.012 1.00 0.00 C ATOM 1321 CD1 LEU A 85 0.039 5.093 -3.814 1.00 0.00 C ATOM 1322 CD2 LEU A 85 -0.060 7.590 -3.816 1.00 0.00 C ATOM 0 H LEU A 85 -2.926 8.456 -3.000 1.00 0.00 H new ATOM 0 HA LEU A 85 -2.322 6.216 -4.694 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -1.984 7.005 -1.830 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -2.004 5.287 -2.173 1.00 0.00 H new ATOM 0 HG LEU A 85 0.278 6.356 -2.111 1.00 0.00 H new ATOM 0 HD11 LEU A 85 1.090 5.147 -4.098 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -0.128 4.202 -3.209 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -0.577 5.043 -4.712 1.00 0.00 H new ATOM 0 HD21 LEU A 85 0.993 7.621 -4.097 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -0.676 7.589 -4.716 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -0.301 8.465 -3.213 1.00 0.00 H new ATOM 1334 N MET A 86 -4.887 5.986 -2.624 1.00 0.00 N ATOM 1335 CA MET A 86 -6.077 5.190 -2.412 1.00 0.00 C ATOM 1336 C MET A 86 -6.988 5.263 -3.630 1.00 0.00 C ATOM 1337 O MET A 86 -7.408 4.237 -4.159 1.00 0.00 O ATOM 1338 CB MET A 86 -6.812 5.657 -1.164 1.00 0.00 C ATOM 1339 CG MET A 86 -7.165 4.525 -0.219 1.00 0.00 C ATOM 1340 SD MET A 86 -8.889 4.021 -0.352 1.00 0.00 S ATOM 1341 CE MET A 86 -9.015 3.649 -2.100 1.00 0.00 C ATOM 0 H MET A 86 -4.792 6.798 -2.014 1.00 0.00 H new ATOM 0 HA MET A 86 -5.780 4.151 -2.267 1.00 0.00 H new ATOM 0 HB2 MET A 86 -6.193 6.383 -0.636 1.00 0.00 H new ATOM 0 HB3 MET A 86 -7.726 6.173 -1.460 1.00 0.00 H new ATOM 0 HG2 MET A 86 -6.523 3.669 -0.428 1.00 0.00 H new ATOM 0 HG3 MET A 86 -6.959 4.835 0.806 1.00 0.00 H new ATOM 0 HE1 MET A 86 -9.811 2.922 -2.261 1.00 0.00 H new ATOM 0 HE2 MET A 86 -9.241 4.562 -2.651 1.00 0.00 H new ATOM 0 HE3 MET A 86 -8.070 3.237 -2.453 1.00 0.00 H new ATOM 1351 N ALA A 87 -7.278 6.480 -4.082 1.00 0.00 N ATOM 1352 CA ALA A 87 -8.128 6.671 -5.253 1.00 0.00 C ATOM 1353 C ALA A 87 -7.514 6.016 -6.494 1.00 0.00 C ATOM 1354 O ALA A 87 -8.236 5.556 -7.378 1.00 0.00 O ATOM 1355 CB ALA A 87 -8.381 8.148 -5.502 1.00 0.00 C ATOM 0 H ALA A 87 -6.939 7.344 -3.658 1.00 0.00 H new ATOM 0 HA ALA A 87 -9.084 6.187 -5.052 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -9.017 8.265 -6.380 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -8.876 8.584 -4.634 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -7.432 8.656 -5.671 1.00 0.00 H new ATOM 1361 N ALA A 88 -6.182 5.980 -6.562 1.00 0.00 N ATOM 1362 CA ALA A 88 -5.499 5.367 -7.693 1.00 0.00 C ATOM 1363 C ALA A 88 -5.432 3.860 -7.512 1.00 0.00 C ATOM 1364 O ALA A 88 -5.946 3.105 -8.335 1.00 0.00 O ATOM 1365 CB ALA A 88 -4.102 5.942 -7.860 1.00 0.00 C ATOM 0 H ALA A 88 -5.562 6.366 -5.850 1.00 0.00 H new ATOM 0 HA ALA A 88 -6.067 5.589 -8.596 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -3.613 5.468 -8.711 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -4.169 7.016 -8.032 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -3.521 5.755 -6.957 1.00 0.00 H new ATOM 1371 N GLY A 89 -4.805 3.423 -6.420 1.00 0.00 N ATOM 1372 CA GLY A 89 -4.697 2.000 -6.149 1.00 0.00 C ATOM 1373 C GLY A 89 -6.037 1.303 -6.300 1.00 0.00 C ATOM 1374 O GLY A 89 -6.113 0.157 -6.741 1.00 0.00 O ATOM 0 H GLY A 89 -4.372 4.027 -5.722 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -3.974 1.552 -6.831 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -4.318 1.849 -5.138 1.00 0.00 H new ATOM 1378 N ASP A 90 -7.091 2.017 -5.918 1.00 0.00 N ATOM 1379 CA ASP A 90 -8.460 1.526 -6.026 1.00 0.00 C ATOM 1380 C ASP A 90 -9.075 2.039 -7.326 1.00 0.00 C ATOM 1381 O ASP A 90 -10.243 2.406 -7.365 1.00 0.00 O ATOM 1382 CB ASP A 90 -9.302 1.946 -4.809 1.00 0.00 C ATOM 1383 CG ASP A 90 -9.820 3.372 -4.895 1.00 0.00 C ATOM 1384 OD1 ASP A 90 -9.279 4.149 -5.705 1.00 0.00 O ATOM 1385 OD2 ASP A 90 -10.769 3.706 -4.156 1.00 0.00 O ATOM 0 H ASP A 90 -7.019 2.955 -5.524 1.00 0.00 H new ATOM 0 HA ASP A 90 -8.447 0.436 -6.042 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -10.148 1.266 -4.710 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -8.700 1.840 -3.906 1.00 0.00 H new ATOM 1390 N LYS A 91 -8.251 2.075 -8.372 1.00 0.00 N ATOM 1391 CA LYS A 91 -8.613 2.574 -9.692 1.00 0.00 C ATOM 1392 C LYS A 91 -10.093 2.409 -10.027 1.00 0.00 C ATOM 1393 O LYS A 91 -10.685 3.268 -10.680 1.00 0.00 O ATOM 1394 CB LYS A 91 -7.782 1.795 -10.690 1.00 0.00 C ATOM 1395 CG LYS A 91 -7.648 2.441 -12.038 1.00 0.00 C ATOM 1396 CD LYS A 91 -8.993 2.616 -12.719 1.00 0.00 C ATOM 1397 CE LYS A 91 -8.855 2.591 -14.233 1.00 0.00 C ATOM 1398 NZ LYS A 91 -8.010 3.712 -14.730 1.00 0.00 N ATOM 0 H LYS A 91 -7.286 1.748 -8.320 1.00 0.00 H new ATOM 0 HA LYS A 91 -8.421 3.647 -9.723 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -6.786 1.645 -10.274 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -8.225 0.808 -10.818 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -7.168 3.413 -11.928 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -6.998 1.834 -12.668 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -9.670 1.823 -12.401 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -9.440 3.560 -12.408 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -8.418 1.642 -14.542 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -9.843 2.651 -14.689 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -7.981 3.691 -15.769 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -8.413 4.617 -14.413 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -7.045 3.612 -14.355 1.00 0.00 H new ATOM 1412 N ASP A 92 -10.691 1.324 -9.577 1.00 0.00 N ATOM 1413 CA ASP A 92 -12.111 1.087 -9.837 1.00 0.00 C ATOM 1414 C ASP A 92 -12.965 2.267 -9.349 1.00 0.00 C ATOM 1415 O ASP A 92 -14.109 2.432 -9.772 1.00 0.00 O ATOM 1416 CB ASP A 92 -12.569 -0.203 -9.156 1.00 0.00 C ATOM 1417 CG ASP A 92 -14.014 -0.538 -9.468 1.00 0.00 C ATOM 1418 OD1 ASP A 92 -14.904 -0.085 -8.717 1.00 0.00 O ATOM 1419 OD2 ASP A 92 -14.256 -1.255 -10.461 1.00 0.00 O ATOM 0 H ASP A 92 -10.228 0.595 -9.034 1.00 0.00 H new ATOM 0 HA ASP A 92 -12.243 0.988 -10.914 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -11.930 -1.026 -9.476 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -12.446 -0.105 -8.077 1.00 0.00 H new ATOM 1424 N GLY A 93 -12.397 3.083 -8.458 1.00 0.00 N ATOM 1425 CA GLY A 93 -13.094 4.250 -7.943 1.00 0.00 C ATOM 1426 C GLY A 93 -14.114 3.915 -6.875 1.00 0.00 C ATOM 1427 O GLY A 93 -15.295 4.232 -7.017 1.00 0.00 O ATOM 0 H GLY A 93 -11.458 2.952 -8.082 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -12.365 4.949 -7.533 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -13.594 4.759 -8.767 1.00 0.00 H new ATOM 1431 N ASP A 94 -13.663 3.281 -5.799 1.00 0.00 N ATOM 1432 CA ASP A 94 -14.556 2.917 -4.706 1.00 0.00 C ATOM 1433 C ASP A 94 -14.226 3.690 -3.427 1.00 0.00 C ATOM 1434 O ASP A 94 -14.983 3.642 -2.458 1.00 0.00 O ATOM 1435 CB ASP A 94 -14.477 1.414 -4.435 1.00 0.00 C ATOM 1436 CG ASP A 94 -14.845 0.585 -5.649 1.00 0.00 C ATOM 1437 OD1 ASP A 94 -13.975 0.398 -6.527 1.00 0.00 O ATOM 1438 OD2 ASP A 94 -16.004 0.124 -5.725 1.00 0.00 O ATOM 0 H ASP A 94 -12.690 3.010 -5.660 1.00 0.00 H new ATOM 0 HA ASP A 94 -15.570 3.180 -5.009 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -13.466 1.158 -4.117 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -15.144 1.161 -3.611 1.00 0.00 H new ATOM 1443 N GLY A 95 -13.095 4.401 -3.421 1.00 0.00 N ATOM 1444 CA GLY A 95 -12.710 5.155 -2.238 1.00 0.00 C ATOM 1445 C GLY A 95 -12.108 4.289 -1.141 1.00 0.00 C ATOM 1446 O GLY A 95 -11.655 4.796 -0.115 1.00 0.00 O ATOM 0 H GLY A 95 -12.447 4.467 -4.206 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -11.989 5.921 -2.523 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -13.585 5.671 -1.844 1.00 0.00 H new ATOM 1450 N LYS A 96 -12.105 2.988 -1.372 1.00 0.00 N ATOM 1451 CA LYS A 96 -11.582 2.016 -0.415 1.00 0.00 C ATOM 1452 C LYS A 96 -10.822 0.923 -1.164 1.00 0.00 C ATOM 1453 O LYS A 96 -11.179 0.576 -2.290 1.00 0.00 O ATOM 1454 CB LYS A 96 -12.726 1.372 0.404 1.00 0.00 C ATOM 1455 CG LYS A 96 -14.063 2.097 0.315 1.00 0.00 C ATOM 1456 CD LYS A 96 -14.114 3.286 1.258 1.00 0.00 C ATOM 1457 CE LYS A 96 -15.385 4.097 1.059 1.00 0.00 C ATOM 1458 NZ LYS A 96 -16.609 3.268 1.240 1.00 0.00 N ATOM 0 H LYS A 96 -12.465 2.570 -2.230 1.00 0.00 H new ATOM 0 HA LYS A 96 -10.914 2.536 0.272 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -12.863 0.345 0.065 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -12.423 1.325 1.450 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -14.228 2.435 -0.708 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -14.870 1.405 0.556 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -14.061 2.937 2.289 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -13.245 3.922 1.091 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -15.401 4.926 1.766 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -15.385 4.531 0.059 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -17.447 3.884 1.247 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -16.686 2.587 0.457 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -16.549 2.753 2.142 1.00 0.00 H new ATOM 1472 N ILE A 97 -9.780 0.380 -0.547 1.00 0.00 N ATOM 1473 CA ILE A 97 -8.994 -0.675 -1.176 1.00 0.00 C ATOM 1474 C ILE A 97 -9.303 -2.037 -0.560 1.00 0.00 C ATOM 1475 O ILE A 97 -9.008 -2.285 0.610 1.00 0.00 O ATOM 1476 CB ILE A 97 -7.478 -0.408 -1.066 1.00 0.00 C ATOM 1477 CG1 ILE A 97 -7.119 0.922 -1.727 1.00 0.00 C ATOM 1478 CG2 ILE A 97 -6.691 -1.545 -1.706 1.00 0.00 C ATOM 1479 CD1 ILE A 97 -5.630 1.197 -1.755 1.00 0.00 C ATOM 0 H ILE A 97 -9.460 0.650 0.383 1.00 0.00 H new ATOM 0 HA ILE A 97 -9.274 -0.680 -2.229 1.00 0.00 H new ATOM 0 HB ILE A 97 -7.214 -0.352 -0.010 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -7.501 0.927 -2.748 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -7.620 1.731 -1.195 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -5.624 -1.342 -1.620 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -6.924 -2.480 -1.197 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -6.961 -1.627 -2.759 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -5.446 2.157 -2.238 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -5.246 1.224 -0.735 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -5.125 0.408 -2.312 1.00 0.00 H new ATOM 1491 N GLY A 98 -9.902 -2.912 -1.358 1.00 0.00 N ATOM 1492 CA GLY A 98 -10.227 -4.247 -0.892 1.00 0.00 C ATOM 1493 C GLY A 98 -9.304 -5.282 -1.492 1.00 0.00 C ATOM 1494 O GLY A 98 -8.514 -4.969 -2.379 1.00 0.00 O ATOM 0 H GLY A 98 -10.170 -2.720 -2.323 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -10.156 -4.281 0.195 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -11.259 -4.483 -1.152 1.00 0.00 H new ATOM 1498 N VAL A 99 -9.392 -6.516 -1.013 1.00 0.00 N ATOM 1499 CA VAL A 99 -8.543 -7.589 -1.529 1.00 0.00 C ATOM 1500 C VAL A 99 -8.546 -7.602 -3.058 1.00 0.00 C ATOM 1501 O VAL A 99 -7.513 -7.828 -3.691 1.00 0.00 O ATOM 1502 CB VAL A 99 -8.994 -8.974 -1.013 1.00 0.00 C ATOM 1503 CG1 VAL A 99 -10.333 -9.373 -1.616 1.00 0.00 C ATOM 1504 CG2 VAL A 99 -7.933 -10.021 -1.312 1.00 0.00 C ATOM 0 H VAL A 99 -10.036 -6.800 -0.275 1.00 0.00 H new ATOM 0 HA VAL A 99 -7.534 -7.392 -1.168 1.00 0.00 H new ATOM 0 HB VAL A 99 -9.122 -8.910 0.068 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -10.626 -10.352 -1.236 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -11.089 -8.636 -1.343 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -10.244 -9.417 -2.701 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -8.265 -10.991 -0.943 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -7.772 -10.078 -2.388 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -7.001 -9.745 -0.820 1.00 0.00 H new ATOM 1514 N GLU A 100 -9.715 -7.355 -3.638 1.00 0.00 N ATOM 1515 CA GLU A 100 -9.866 -7.335 -5.089 1.00 0.00 C ATOM 1516 C GLU A 100 -9.205 -6.104 -5.698 1.00 0.00 C ATOM 1517 O GLU A 100 -8.449 -6.205 -6.665 1.00 0.00 O ATOM 1518 CB GLU A 100 -11.343 -7.361 -5.465 1.00 0.00 C ATOM 1519 CG GLU A 100 -12.105 -6.176 -4.927 1.00 0.00 C ATOM 1520 CD GLU A 100 -13.606 -6.335 -5.051 1.00 0.00 C ATOM 1521 OE1 GLU A 100 -14.222 -6.901 -4.124 1.00 0.00 O ATOM 1522 OE2 GLU A 100 -14.168 -5.893 -6.076 1.00 0.00 O ATOM 0 H GLU A 100 -10.575 -7.165 -3.124 1.00 0.00 H new ATOM 0 HA GLU A 100 -9.373 -8.222 -5.487 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -11.436 -7.384 -6.551 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -11.793 -8.279 -5.087 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -11.846 -6.029 -3.879 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -11.794 -5.278 -5.461 1.00 0.00 H new ATOM 1529 N GLU A 101 -9.498 -4.945 -5.123 1.00 0.00 N ATOM 1530 CA GLU A 101 -8.952 -3.687 -5.604 1.00 0.00 C ATOM 1531 C GLU A 101 -7.451 -3.598 -5.350 1.00 0.00 C ATOM 1532 O GLU A 101 -6.714 -2.998 -6.132 1.00 0.00 O ATOM 1533 CB GLU A 101 -9.673 -2.528 -4.919 1.00 0.00 C ATOM 1534 CG GLU A 101 -10.459 -1.649 -5.876 1.00 0.00 C ATOM 1535 CD GLU A 101 -11.558 -2.407 -6.595 1.00 0.00 C ATOM 1536 OE1 GLU A 101 -12.662 -2.536 -6.024 1.00 0.00 O ATOM 1537 OE2 GLU A 101 -11.315 -2.874 -7.729 1.00 0.00 O ATOM 0 H GLU A 101 -10.116 -4.852 -4.317 1.00 0.00 H new ATOM 0 HA GLU A 101 -9.107 -3.632 -6.681 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -10.352 -2.928 -4.166 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -8.940 -1.915 -4.394 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -10.897 -0.818 -5.323 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -9.778 -1.219 -6.611 1.00 0.00 H new ATOM 1544 N PHE A 102 -7.001 -4.204 -4.255 1.00 0.00 N ATOM 1545 CA PHE A 102 -5.587 -4.192 -3.903 1.00 0.00 C ATOM 1546 C PHE A 102 -4.750 -4.676 -5.077 1.00 0.00 C ATOM 1547 O PHE A 102 -3.604 -4.262 -5.253 1.00 0.00 O ATOM 1548 CB PHE A 102 -5.334 -5.071 -2.678 1.00 0.00 C ATOM 1549 CG PHE A 102 -4.129 -4.667 -1.882 1.00 0.00 C ATOM 1550 CD1 PHE A 102 -4.211 -3.673 -0.922 1.00 0.00 C ATOM 1551 CD2 PHE A 102 -2.920 -5.288 -2.097 1.00 0.00 C ATOM 1552 CE1 PHE A 102 -3.098 -3.306 -0.189 1.00 0.00 C ATOM 1553 CE2 PHE A 102 -1.799 -4.931 -1.368 1.00 0.00 C ATOM 1554 CZ PHE A 102 -1.889 -3.937 -0.412 1.00 0.00 C ATOM 0 H PHE A 102 -7.595 -4.709 -3.598 1.00 0.00 H new ATOM 0 HA PHE A 102 -5.298 -3.169 -3.662 1.00 0.00 H new ATOM 0 HB2 PHE A 102 -6.212 -5.040 -2.032 1.00 0.00 H new ATOM 0 HB3 PHE A 102 -5.214 -6.105 -3.003 1.00 0.00 H new ATOM 0 HD1 PHE A 102 -5.155 -3.179 -0.744 1.00 0.00 H new ATOM 0 HD2 PHE A 102 -2.845 -6.064 -2.844 1.00 0.00 H new ATOM 0 HE1 PHE A 102 -3.173 -2.528 0.556 1.00 0.00 H new ATOM 0 HE2 PHE A 102 -0.857 -5.428 -1.546 1.00 0.00 H new ATOM 0 HZ PHE A 102 -1.017 -3.654 0.159 1.00 0.00 H new ATOM 1564 N SER A 103 -5.332 -5.561 -5.883 1.00 0.00 N ATOM 1565 CA SER A 103 -4.647 -6.094 -7.051 1.00 0.00 C ATOM 1566 C SER A 103 -4.499 -5.012 -8.111 1.00 0.00 C ATOM 1567 O SER A 103 -3.443 -4.871 -8.728 1.00 0.00 O ATOM 1568 CB SER A 103 -5.412 -7.290 -7.621 1.00 0.00 C ATOM 1569 OG SER A 103 -4.759 -7.817 -8.763 1.00 0.00 O ATOM 0 H SER A 103 -6.276 -5.922 -5.746 1.00 0.00 H new ATOM 0 HA SER A 103 -3.655 -6.430 -6.748 1.00 0.00 H new ATOM 0 HB2 SER A 103 -5.501 -8.065 -6.860 1.00 0.00 H new ATOM 0 HB3 SER A 103 -6.424 -6.985 -7.886 1.00 0.00 H new ATOM 0 HG SER A 103 -5.267 -8.581 -9.107 1.00 0.00 H new ATOM 1575 N THR A 104 -5.566 -4.246 -8.316 1.00 0.00 N ATOM 1576 CA THR A 104 -5.550 -3.166 -9.293 1.00 0.00 C ATOM 1577 C THR A 104 -4.437 -2.180 -8.964 1.00 0.00 C ATOM 1578 O THR A 104 -3.787 -1.634 -9.856 1.00 0.00 O ATOM 1579 CB THR A 104 -6.896 -2.417 -9.330 1.00 0.00 C ATOM 1580 OG1 THR A 104 -7.969 -3.346 -9.525 1.00 0.00 O ATOM 1581 CG2 THR A 104 -6.910 -1.383 -10.446 1.00 0.00 C ATOM 0 H THR A 104 -6.450 -4.354 -7.819 1.00 0.00 H new ATOM 0 HA THR A 104 -5.375 -3.611 -10.273 1.00 0.00 H new ATOM 0 HB THR A 104 -7.026 -1.904 -8.377 1.00 0.00 H new ATOM 0 HG1 THR A 104 -8.821 -2.862 -9.546 1.00 0.00 H new ATOM 0 HG21 THR A 104 -7.870 -0.867 -10.452 1.00 0.00 H new ATOM 0 HG22 THR A 104 -6.111 -0.660 -10.282 1.00 0.00 H new ATOM 0 HG23 THR A 104 -6.759 -1.880 -11.404 1.00 0.00 H new ATOM 1589 N LEU A 105 -4.223 -1.963 -7.670 1.00 0.00 N ATOM 1590 CA LEU A 105 -3.182 -1.058 -7.204 1.00 0.00 C ATOM 1591 C LEU A 105 -1.821 -1.519 -7.709 1.00 0.00 C ATOM 1592 O LEU A 105 -0.963 -0.703 -8.046 1.00 0.00 O ATOM 1593 CB LEU A 105 -3.195 -0.986 -5.676 1.00 0.00 C ATOM 1594 CG LEU A 105 -1.972 -0.333 -5.031 1.00 0.00 C ATOM 1595 CD1 LEU A 105 -1.668 1.007 -5.683 1.00 0.00 C ATOM 1596 CD2 LEU A 105 -2.201 -0.159 -3.538 1.00 0.00 C ATOM 0 H LEU A 105 -4.760 -2.405 -6.924 1.00 0.00 H new ATOM 0 HA LEU A 105 -3.375 -0.061 -7.599 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -4.084 -0.437 -5.364 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -3.292 -1.998 -5.284 1.00 0.00 H new ATOM 0 HG LEU A 105 -1.111 -0.985 -5.182 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -0.794 1.453 -5.208 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -1.468 0.858 -6.744 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -2.524 1.672 -5.565 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -1.325 0.307 -3.087 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -3.073 0.475 -3.375 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -2.370 -1.133 -3.080 1.00 0.00 H new ATOM 1608 N VAL A 106 -1.631 -2.831 -7.763 1.00 0.00 N ATOM 1609 CA VAL A 106 -0.381 -3.390 -8.252 1.00 0.00 C ATOM 1610 C VAL A 106 -0.154 -2.967 -9.696 1.00 0.00 C ATOM 1611 O VAL A 106 0.977 -2.730 -10.119 1.00 0.00 O ATOM 1612 CB VAL A 106 -0.375 -4.927 -8.169 1.00 0.00 C ATOM 1613 CG1 VAL A 106 0.948 -5.483 -8.672 1.00 0.00 C ATOM 1614 CG2 VAL A 106 -0.650 -5.387 -6.744 1.00 0.00 C ATOM 0 H VAL A 106 -2.323 -3.523 -7.476 1.00 0.00 H new ATOM 0 HA VAL A 106 0.420 -3.009 -7.619 1.00 0.00 H new ATOM 0 HB VAL A 106 -1.170 -5.311 -8.808 1.00 0.00 H new ATOM 0 HG11 VAL A 106 0.934 -6.571 -8.606 1.00 0.00 H new ATOM 0 HG12 VAL A 106 1.097 -5.184 -9.710 1.00 0.00 H new ATOM 0 HG13 VAL A 106 1.762 -5.093 -8.061 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -0.642 -6.476 -6.705 1.00 0.00 H new ATOM 0 HG22 VAL A 106 0.120 -4.994 -6.080 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -1.626 -5.020 -6.425 1.00 0.00 H new ATOM 1624 N ALA A 107 -1.248 -2.873 -10.446 1.00 0.00 N ATOM 1625 CA ALA A 107 -1.190 -2.467 -11.844 1.00 0.00 C ATOM 1626 C ALA A 107 -1.088 -0.951 -11.960 1.00 0.00 C ATOM 1627 O ALA A 107 -0.386 -0.432 -12.828 1.00 0.00 O ATOM 1628 CB ALA A 107 -2.410 -2.977 -12.596 1.00 0.00 C ATOM 0 H ALA A 107 -2.188 -3.074 -10.106 1.00 0.00 H new ATOM 0 HA ALA A 107 -0.298 -2.905 -12.292 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -2.351 -2.665 -13.639 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -2.441 -4.065 -12.544 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -3.313 -2.566 -12.145 1.00 0.00 H new ATOM 1634 N GLU A 108 -1.794 -0.243 -11.079 1.00 0.00 N ATOM 1635 CA GLU A 108 -1.775 1.217 -11.084 1.00 0.00 C ATOM 1636 C GLU A 108 -0.347 1.734 -11.114 1.00 0.00 C ATOM 1637 O GLU A 108 0.115 2.271 -12.122 1.00 0.00 O ATOM 1638 CB GLU A 108 -2.485 1.774 -9.854 1.00 0.00 C ATOM 1639 CG GLU A 108 -3.992 1.666 -9.940 1.00 0.00 C ATOM 1640 CD GLU A 108 -4.605 2.783 -10.764 1.00 0.00 C ATOM 1641 OE1 GLU A 108 -4.707 3.916 -10.249 1.00 0.00 O ATOM 1642 OE2 GLU A 108 -4.977 2.525 -11.927 1.00 0.00 O ATOM 0 H GLU A 108 -2.383 -0.656 -10.356 1.00 0.00 H new ATOM 0 HA GLU A 108 -2.299 1.551 -11.980 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -2.138 1.241 -8.969 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -2.208 2.820 -9.725 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -4.260 0.705 -10.379 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -4.413 1.686 -8.935 1.00 0.00 H new ATOM 1649 N SER A 109 0.346 1.566 -9.995 1.00 0.00 N ATOM 1650 CA SER A 109 1.727 2.007 -9.877 1.00 0.00 C ATOM 1651 C SER A 109 2.564 1.498 -11.047 1.00 0.00 C ATOM 1652 O SER A 109 3.123 0.386 -10.934 1.00 0.00 O ATOM 1653 CB SER A 109 2.331 1.520 -8.559 1.00 0.00 C ATOM 1654 OG SER A 109 3.739 1.588 -8.601 1.00 0.00 O ATOM 1655 OXT SER A 109 2.652 2.214 -12.066 1.00 0.00 O ATOM 0 H SER A 109 -0.029 1.126 -9.154 1.00 0.00 H new ATOM 0 HA SER A 109 1.734 3.097 -9.893 1.00 0.00 H new ATOM 0 HB2 SER A 109 1.957 2.128 -7.735 1.00 0.00 H new ATOM 0 HB3 SER A 109 2.017 0.494 -8.366 1.00 0.00 H new ATOM 0 HG SER A 109 4.052 2.277 -7.978 1.00 0.00 H new