USER MOD reduce.3.24.130724 H: found=0, std=0, add=962, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 960 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 62 ASN :FLIP amide:sc= -6.57! C(o=-11!,f=-9.8!) USER MOD Set 1.2: A 68 SER OG : rot -141:sc= -2.79! USER MOD Set 1.3: A 86 THR OG1 : rot -91:sc= -0.396 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 HIS : no HD1:sc= -0.371 X(o=-0.37,f=-0.55) USER MOD Single : A 4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 180:sc= 0.0185 USER MOD Single : A 19 MET CE :methyl 166:sc= 0 (180deg=-0.193) USER MOD Single : A 22 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot -21:sc= -1.29! USER MOD Single : A 29 CYS SG : rot 75:sc= 0.853 USER MOD Single : A 33 HIS :FLIP no HE2:sc= -1.45 F(o=-2.9!,f=-1.4) USER MOD Single : A 38 THR OG1 : rot -82:sc= -9.41! USER MOD Single : A 40 SER OG : rot 24:sc= -1.92 USER MOD Single : A 42 MET CE :methyl 157:sc=-0.00785 (180deg=-0.313) USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 LYS NZ :NH3+ 177:sc= -1.44 (180deg=-1.49) USER MOD Single : A 53 GLN : amide:sc= -2.51! C(o=-2.5!,f=-2.1!) USER MOD Single : A 69 TYR OH : rot 30:sc= -1.27 USER MOD Single : A 79 ASN :FLIP amide:sc= -9.84! C(o=-13!,f=-9.8!) USER MOD Single : A 88 TYR OH : rot 180:sc= -0.0111 USER MOD Single : A 90 SER OG : rot 180:sc= -2.83! USER MOD Single : A 91 LYS NZ :NH3+ -157:sc= 0 (180deg=-0.712) USER MOD Single : A 95 THR OG1 : rot -114:sc= 0.02 USER MOD Single : A 97 TYR OH : rot -81:sc= -0.319 USER MOD Single : A 98 SER OG : rot 75:sc= 0.428 USER MOD Single : A 99 ASN :FLIP amide:sc= -2.55! C(o=-4.2!,f=-2.6!) USER MOD Single : A 104 THR OG1 : rot 18:sc= 0.734 USER MOD Single : A 105 LYS NZ :NH3+ 141:sc= -3.74! (180deg=-7.28!) USER MOD Single : A 110 SER OG : rot 70:sc= -2.29 USER MOD Single : A 118 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 120 SER OG : rot 180:sc= -0.0352 USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 13.524 20.271 7.260 1.00 0.00 N ATOM 2 CA GLY A 1 13.971 21.236 8.304 1.00 0.00 C ATOM 3 C GLY A 1 13.156 21.025 9.580 1.00 0.00 C ATOM 4 O GLY A 1 13.615 20.419 10.527 1.00 0.00 O ATOM 0 H1 GLY A 1 14.079 20.416 6.393 1.00 0.00 H new ATOM 0 H2 GLY A 1 13.664 19.299 7.603 1.00 0.00 H new ATOM 0 H3 GLY A 1 12.516 20.424 7.055 1.00 0.00 H new ATOM 0 HA2 GLY A 1 15.032 21.097 8.511 1.00 0.00 H new ATOM 0 HA3 GLY A 1 13.847 22.258 7.946 1.00 0.00 H new ATOM 10 N SER A 2 11.949 21.519 9.614 1.00 0.00 N ATOM 11 CA SER A 2 11.108 21.344 10.832 1.00 0.00 C ATOM 12 C SER A 2 10.845 19.858 11.090 1.00 0.00 C ATOM 13 O SER A 2 11.129 19.014 10.264 1.00 0.00 O ATOM 14 CB SER A 2 9.802 22.071 10.519 1.00 0.00 C ATOM 15 OG SER A 2 9.074 22.273 11.723 1.00 0.00 O ATOM 0 H SER A 2 11.509 22.036 8.852 1.00 0.00 H new ATOM 0 HA SER A 2 11.592 21.739 11.725 1.00 0.00 H new ATOM 0 HB2 SER A 2 10.011 23.029 10.043 1.00 0.00 H new ATOM 0 HB3 SER A 2 9.208 21.488 9.815 1.00 0.00 H new ATOM 0 HG SER A 2 8.236 22.741 11.524 1.00 0.00 H new ATOM 21 N HIS A 3 10.303 19.533 12.231 1.00 0.00 N ATOM 22 CA HIS A 3 10.020 18.104 12.549 1.00 0.00 C ATOM 23 C HIS A 3 8.603 17.730 12.090 1.00 0.00 C ATOM 24 O HIS A 3 8.136 18.186 11.066 1.00 0.00 O ATOM 25 CB HIS A 3 10.139 18.015 14.073 1.00 0.00 C ATOM 26 CG HIS A 3 10.920 16.788 14.448 1.00 0.00 C ATOM 27 ND1 HIS A 3 11.042 15.702 13.597 1.00 0.00 N ATOM 28 CD2 HIS A 3 11.625 16.460 15.580 1.00 0.00 C ATOM 29 CE1 HIS A 3 11.796 14.780 14.222 1.00 0.00 C ATOM 30 NE2 HIS A 3 12.177 15.191 15.435 1.00 0.00 N ATOM 0 H HIS A 3 10.043 20.198 12.960 1.00 0.00 H new ATOM 0 HA HIS A 3 10.703 17.420 12.046 1.00 0.00 H new ATOM 0 HB2 HIS A 3 10.633 18.905 14.462 1.00 0.00 H new ATOM 0 HB3 HIS A 3 9.147 17.979 14.524 1.00 0.00 H new ATOM 0 HD2 HIS A 3 11.734 17.091 16.450 1.00 0.00 H new ATOM 0 HE1 HIS A 3 12.061 13.824 13.795 1.00 0.00 H new ATOM 0 HE2 HIS A 3 12.749 14.684 16.110 1.00 0.00 H new ATOM 38 N MET A 4 7.916 16.907 12.845 1.00 0.00 N ATOM 39 CA MET A 4 6.524 16.500 12.466 1.00 0.00 C ATOM 40 C MET A 4 6.540 15.502 11.301 1.00 0.00 C ATOM 41 O MET A 4 6.090 14.381 11.431 1.00 0.00 O ATOM 42 CB MET A 4 5.815 17.795 12.060 1.00 0.00 C ATOM 43 CG MET A 4 4.347 17.732 12.488 1.00 0.00 C ATOM 44 SD MET A 4 4.220 18.107 14.255 1.00 0.00 S ATOM 45 CE MET A 4 2.502 18.678 14.245 1.00 0.00 C ATOM 0 H MET A 4 8.261 16.497 13.713 1.00 0.00 H new ATOM 0 HA MET A 4 6.015 16.001 13.291 1.00 0.00 H new ATOM 0 HB2 MET A 4 6.304 18.651 12.526 1.00 0.00 H new ATOM 0 HB3 MET A 4 5.884 17.937 10.981 1.00 0.00 H new ATOM 0 HG2 MET A 4 3.757 18.444 11.910 1.00 0.00 H new ATOM 0 HG3 MET A 4 3.940 16.742 12.285 1.00 0.00 H new ATOM 0 HE1 MET A 4 2.208 18.966 15.254 1.00 0.00 H new ATOM 0 HE2 MET A 4 2.408 19.537 13.581 1.00 0.00 H new ATOM 0 HE3 MET A 4 1.854 17.875 13.894 1.00 0.00 H new ATOM 55 N THR A 5 7.048 15.895 10.165 1.00 0.00 N ATOM 56 CA THR A 5 7.079 14.960 9.003 1.00 0.00 C ATOM 57 C THR A 5 8.511 14.816 8.480 1.00 0.00 C ATOM 58 O THR A 5 9.349 15.668 8.703 1.00 0.00 O ATOM 59 CB THR A 5 6.184 15.613 7.949 1.00 0.00 C ATOM 60 OG1 THR A 5 6.727 16.874 7.586 1.00 0.00 O ATOM 61 CG2 THR A 5 4.777 15.807 8.518 1.00 0.00 C ATOM 0 H THR A 5 7.442 16.820 9.991 1.00 0.00 H new ATOM 0 HA THR A 5 6.736 13.959 9.266 1.00 0.00 H new ATOM 0 HB THR A 5 6.132 14.971 7.069 1.00 0.00 H new ATOM 0 HG1 THR A 5 6.156 17.294 6.909 1.00 0.00 H new ATOM 0 HG21 THR A 5 4.141 16.273 7.765 1.00 0.00 H new ATOM 0 HG22 THR A 5 4.361 14.839 8.797 1.00 0.00 H new ATOM 0 HG23 THR A 5 4.826 16.448 9.398 1.00 0.00 H new ATOM 69 N GLU A 6 8.804 13.748 7.786 1.00 0.00 N ATOM 70 CA GLU A 6 10.187 13.567 7.258 1.00 0.00 C ATOM 71 C GLU A 6 10.212 12.518 6.139 1.00 0.00 C ATOM 72 O GLU A 6 10.873 11.503 6.241 1.00 0.00 O ATOM 73 CB GLU A 6 11.007 13.092 8.459 1.00 0.00 C ATOM 74 CG GLU A 6 10.503 11.721 8.914 1.00 0.00 C ATOM 75 CD GLU A 6 10.954 11.466 10.353 1.00 0.00 C ATOM 76 OE1 GLU A 6 11.518 12.372 10.945 1.00 0.00 O ATOM 77 OE2 GLU A 6 10.728 10.370 10.840 1.00 0.00 O ATOM 0 H GLU A 6 8.150 12.998 7.563 1.00 0.00 H new ATOM 0 HA GLU A 6 10.582 14.487 6.826 1.00 0.00 H new ATOM 0 HB2 GLU A 6 12.062 13.032 8.191 1.00 0.00 H new ATOM 0 HB3 GLU A 6 10.925 13.810 9.275 1.00 0.00 H new ATOM 0 HG2 GLU A 6 9.416 11.681 8.850 1.00 0.00 H new ATOM 0 HG3 GLU A 6 10.890 10.942 8.257 1.00 0.00 H new ATOM 84 N ARG A 7 9.506 12.761 5.066 1.00 0.00 N ATOM 85 CA ARG A 7 9.499 11.785 3.934 1.00 0.00 C ATOM 86 C ARG A 7 9.081 10.389 4.415 1.00 0.00 C ATOM 87 O ARG A 7 9.540 9.388 3.902 1.00 0.00 O ATOM 88 CB ARG A 7 10.942 11.767 3.433 1.00 0.00 C ATOM 89 CG ARG A 7 11.270 13.112 2.784 1.00 0.00 C ATOM 90 CD ARG A 7 12.745 13.444 3.014 1.00 0.00 C ATOM 91 NE ARG A 7 12.747 14.814 3.602 1.00 0.00 N ATOM 92 CZ ARG A 7 12.187 15.805 2.962 1.00 0.00 C ATOM 93 NH1 ARG A 7 11.909 15.692 1.692 1.00 0.00 N ATOM 94 NH2 ARG A 7 11.907 16.914 3.593 1.00 0.00 N ATOM 0 H ARG A 7 8.933 13.593 4.924 1.00 0.00 H new ATOM 0 HA ARG A 7 8.790 12.066 3.156 1.00 0.00 H new ATOM 0 HB2 ARG A 7 11.624 11.574 4.261 1.00 0.00 H new ATOM 0 HB3 ARG A 7 11.079 10.960 2.713 1.00 0.00 H new ATOM 0 HG2 ARG A 7 11.057 13.074 1.716 1.00 0.00 H new ATOM 0 HG3 ARG A 7 10.640 13.895 3.206 1.00 0.00 H new ATOM 0 HD2 ARG A 7 13.211 12.725 3.688 1.00 0.00 H new ATOM 0 HD3 ARG A 7 13.306 13.415 2.080 1.00 0.00 H new ATOM 0 HE ARG A 7 13.187 14.978 4.507 1.00 0.00 H new ATOM 0 HH11 ARG A 7 12.129 14.828 1.197 1.00 0.00 H new ATOM 0 HH12 ARG A 7 11.472 16.468 1.195 1.00 0.00 H new ATOM 0 HH21 ARG A 7 12.126 17.006 4.585 1.00 0.00 H new ATOM 0 HH22 ARG A 7 11.470 17.688 3.094 1.00 0.00 H new ATOM 108 N ARG A 8 8.225 10.308 5.399 1.00 0.00 N ATOM 109 CA ARG A 8 7.802 8.966 5.905 1.00 0.00 C ATOM 110 C ARG A 8 6.410 8.535 5.396 1.00 0.00 C ATOM 111 O ARG A 8 6.154 7.364 5.222 1.00 0.00 O ATOM 112 CB ARG A 8 7.772 9.120 7.423 1.00 0.00 C ATOM 113 CG ARG A 8 8.750 8.129 8.054 1.00 0.00 C ATOM 114 CD ARG A 8 10.178 8.502 7.657 1.00 0.00 C ATOM 115 NE ARG A 8 10.880 7.200 7.484 1.00 0.00 N ATOM 116 CZ ARG A 8 11.923 7.121 6.704 1.00 0.00 C ATOM 117 NH1 ARG A 8 13.116 7.349 7.185 1.00 0.00 N ATOM 118 NH2 ARG A 8 11.773 6.808 5.444 1.00 0.00 N ATOM 0 H ARG A 8 7.802 11.106 5.873 1.00 0.00 H new ATOM 0 HA ARG A 8 8.487 8.194 5.555 1.00 0.00 H new ATOM 0 HB2 ARG A 8 8.040 10.139 7.701 1.00 0.00 H new ATOM 0 HB3 ARG A 8 6.764 8.942 7.798 1.00 0.00 H new ATOM 0 HG2 ARG A 8 8.648 8.141 9.139 1.00 0.00 H new ATOM 0 HG3 ARG A 8 8.522 7.116 7.724 1.00 0.00 H new ATOM 0 HD2 ARG A 8 10.193 9.084 6.736 1.00 0.00 H new ATOM 0 HD3 ARG A 8 10.656 9.109 8.426 1.00 0.00 H new ATOM 0 HE ARG A 8 10.546 6.371 7.975 1.00 0.00 H new ATOM 0 HH11 ARG A 8 13.232 7.589 8.170 1.00 0.00 H new ATOM 0 HH12 ARG A 8 13.932 7.287 6.576 1.00 0.00 H new ATOM 0 HH21 ARG A 8 10.841 6.626 5.071 1.00 0.00 H new ATOM 0 HH22 ARG A 8 12.588 6.746 4.833 1.00 0.00 H new ATOM 132 N LEU A 9 5.492 9.452 5.220 1.00 0.00 N ATOM 133 CA LEU A 9 4.102 9.060 4.803 1.00 0.00 C ATOM 134 C LEU A 9 3.937 8.866 3.285 1.00 0.00 C ATOM 135 O LEU A 9 3.723 9.810 2.551 1.00 0.00 O ATOM 136 CB LEU A 9 3.222 10.216 5.274 1.00 0.00 C ATOM 137 CG LEU A 9 2.713 9.929 6.686 1.00 0.00 C ATOM 138 CD1 LEU A 9 3.745 10.406 7.711 1.00 0.00 C ATOM 139 CD2 LEU A 9 1.390 10.668 6.906 1.00 0.00 C ATOM 0 H LEU A 9 5.640 10.453 5.346 1.00 0.00 H new ATOM 0 HA LEU A 9 3.841 8.095 5.237 1.00 0.00 H new ATOM 0 HB2 LEU A 9 3.790 11.147 5.263 1.00 0.00 H new ATOM 0 HB3 LEU A 9 2.381 10.347 4.593 1.00 0.00 H new ATOM 0 HG LEU A 9 2.557 8.857 6.807 1.00 0.00 H new ATOM 0 HD11 LEU A 9 3.380 10.200 8.717 1.00 0.00 H new ATOM 0 HD12 LEU A 9 4.686 9.880 7.552 1.00 0.00 H new ATOM 0 HD13 LEU A 9 3.905 11.478 7.595 1.00 0.00 H new ATOM 0 HD21 LEU A 9 1.023 10.466 7.912 1.00 0.00 H new ATOM 0 HD22 LEU A 9 1.548 11.740 6.786 1.00 0.00 H new ATOM 0 HD23 LEU A 9 0.656 10.325 6.177 1.00 0.00 H new ATOM 151 N ARG A 10 3.981 7.644 2.817 1.00 0.00 N ATOM 152 CA ARG A 10 3.781 7.396 1.356 1.00 0.00 C ATOM 153 C ARG A 10 3.307 5.955 1.131 1.00 0.00 C ATOM 154 O ARG A 10 3.358 5.128 2.013 1.00 0.00 O ATOM 155 CB ARG A 10 5.141 7.644 0.716 1.00 0.00 C ATOM 156 CG ARG A 10 5.024 7.572 -0.820 1.00 0.00 C ATOM 157 CD ARG A 10 5.612 8.824 -1.482 1.00 0.00 C ATOM 158 NE ARG A 10 6.664 8.345 -2.418 1.00 0.00 N ATOM 159 CZ ARG A 10 7.677 9.118 -2.711 1.00 0.00 C ATOM 160 NH1 ARG A 10 7.572 10.412 -2.568 1.00 0.00 N ATOM 161 NH2 ARG A 10 8.787 8.605 -3.166 1.00 0.00 N ATOM 0 H ARG A 10 4.146 6.810 3.381 1.00 0.00 H new ATOM 0 HA ARG A 10 3.020 8.044 0.921 1.00 0.00 H new ATOM 0 HB2 ARG A 10 5.519 8.622 1.014 1.00 0.00 H new ATOM 0 HB3 ARG A 10 5.858 6.903 1.069 1.00 0.00 H new ATOM 0 HG2 ARG A 10 5.544 6.686 -1.185 1.00 0.00 H new ATOM 0 HG3 ARG A 10 3.977 7.466 -1.103 1.00 0.00 H new ATOM 0 HD2 ARG A 10 4.841 9.381 -2.015 1.00 0.00 H new ATOM 0 HD3 ARG A 10 6.033 9.498 -0.735 1.00 0.00 H new ATOM 0 HE ARG A 10 6.595 7.415 -2.831 1.00 0.00 H new ATOM 0 HH11 ARG A 10 6.700 10.818 -2.228 1.00 0.00 H new ATOM 0 HH12 ARG A 10 8.362 11.016 -2.796 1.00 0.00 H new ATOM 0 HH21 ARG A 10 8.868 7.596 -3.295 1.00 0.00 H new ATOM 0 HH22 ARG A 10 9.574 9.213 -3.393 1.00 0.00 H new ATOM 175 N VAL A 11 2.822 5.650 -0.030 1.00 0.00 N ATOM 176 CA VAL A 11 2.315 4.277 -0.284 1.00 0.00 C ATOM 177 C VAL A 11 3.453 3.269 -0.499 1.00 0.00 C ATOM 178 O VAL A 11 3.960 3.115 -1.592 1.00 0.00 O ATOM 179 CB VAL A 11 1.493 4.427 -1.563 1.00 0.00 C ATOM 180 CG1 VAL A 11 0.460 5.539 -1.374 1.00 0.00 C ATOM 181 CG2 VAL A 11 2.427 4.801 -2.718 1.00 0.00 C ATOM 0 H VAL A 11 2.753 6.292 -0.820 1.00 0.00 H new ATOM 0 HA VAL A 11 1.744 3.893 0.561 1.00 0.00 H new ATOM 0 HB VAL A 11 0.985 3.488 -1.785 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -0.128 5.648 -2.285 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -0.200 5.285 -0.544 1.00 0.00 H new ATOM 0 HG13 VAL A 11 0.971 6.477 -1.157 1.00 0.00 H new ATOM 0 HG21 VAL A 11 1.847 4.910 -3.634 1.00 0.00 H new ATOM 0 HG22 VAL A 11 2.927 5.743 -2.491 1.00 0.00 H new ATOM 0 HG23 VAL A 11 3.173 4.017 -2.851 1.00 0.00 H new ATOM 191 N LEU A 12 3.838 2.544 0.524 1.00 0.00 N ATOM 192 CA LEU A 12 4.903 1.529 0.332 1.00 0.00 C ATOM 193 C LEU A 12 4.258 0.306 -0.322 1.00 0.00 C ATOM 194 O LEU A 12 3.829 -0.615 0.341 1.00 0.00 O ATOM 195 CB LEU A 12 5.395 1.194 1.738 1.00 0.00 C ATOM 196 CG LEU A 12 6.320 2.303 2.246 1.00 0.00 C ATOM 197 CD1 LEU A 12 7.588 2.342 1.391 1.00 0.00 C ATOM 198 CD2 LEU A 12 5.602 3.654 2.163 1.00 0.00 C ATOM 0 H LEU A 12 3.462 2.615 1.470 1.00 0.00 H new ATOM 0 HA LEU A 12 5.727 1.867 -0.296 1.00 0.00 H new ATOM 0 HB2 LEU A 12 4.546 1.080 2.412 1.00 0.00 H new ATOM 0 HB3 LEU A 12 5.925 0.242 1.730 1.00 0.00 H new ATOM 0 HG LEU A 12 6.588 2.102 3.283 1.00 0.00 H new ATOM 0 HD11 LEU A 12 8.247 3.132 1.753 1.00 0.00 H new ATOM 0 HD12 LEU A 12 8.101 1.383 1.457 1.00 0.00 H new ATOM 0 HD13 LEU A 12 7.321 2.540 0.353 1.00 0.00 H new ATOM 0 HD21 LEU A 12 6.264 4.441 2.526 1.00 0.00 H new ATOM 0 HD22 LEU A 12 5.329 3.858 1.128 1.00 0.00 H new ATOM 0 HD23 LEU A 12 4.702 3.626 2.777 1.00 0.00 H new ATOM 210 N VAL A 13 4.165 0.306 -1.621 1.00 0.00 N ATOM 211 CA VAL A 13 3.516 -0.836 -2.322 1.00 0.00 C ATOM 212 C VAL A 13 4.579 -1.765 -2.881 1.00 0.00 C ATOM 213 O VAL A 13 5.632 -1.333 -3.304 1.00 0.00 O ATOM 214 CB VAL A 13 2.696 -0.204 -3.451 1.00 0.00 C ATOM 215 CG1 VAL A 13 1.789 -1.263 -4.081 1.00 0.00 C ATOM 216 CG2 VAL A 13 1.829 0.926 -2.888 1.00 0.00 C ATOM 0 H VAL A 13 4.511 1.048 -2.229 1.00 0.00 H new ATOM 0 HA VAL A 13 2.888 -1.430 -1.658 1.00 0.00 H new ATOM 0 HB VAL A 13 3.375 0.195 -4.205 1.00 0.00 H new ATOM 0 HG11 VAL A 13 1.206 -0.812 -4.884 1.00 0.00 H new ATOM 0 HG12 VAL A 13 2.399 -2.071 -4.485 1.00 0.00 H new ATOM 0 HG13 VAL A 13 1.115 -1.662 -3.323 1.00 0.00 H new ATOM 0 HG21 VAL A 13 1.247 1.374 -3.693 1.00 0.00 H new ATOM 0 HG22 VAL A 13 1.154 0.525 -2.132 1.00 0.00 H new ATOM 0 HG23 VAL A 13 2.468 1.685 -2.437 1.00 0.00 H new ATOM 226 N VAL A 14 4.332 -3.040 -2.871 1.00 0.00 N ATOM 227 CA VAL A 14 5.360 -3.967 -3.386 1.00 0.00 C ATOM 228 C VAL A 14 4.734 -5.208 -4.028 1.00 0.00 C ATOM 229 O VAL A 14 3.879 -5.869 -3.460 1.00 0.00 O ATOM 230 CB VAL A 14 6.173 -4.338 -2.154 1.00 0.00 C ATOM 231 CG1 VAL A 14 6.572 -3.066 -1.402 1.00 0.00 C ATOM 232 CG2 VAL A 14 5.330 -5.228 -1.241 1.00 0.00 C ATOM 0 H VAL A 14 3.473 -3.474 -2.532 1.00 0.00 H new ATOM 0 HA VAL A 14 5.966 -3.514 -4.171 1.00 0.00 H new ATOM 0 HB VAL A 14 7.072 -4.875 -2.458 1.00 0.00 H new ATOM 0 HG11 VAL A 14 7.154 -3.332 -0.520 1.00 0.00 H new ATOM 0 HG12 VAL A 14 7.171 -2.431 -2.054 1.00 0.00 H new ATOM 0 HG13 VAL A 14 5.675 -2.528 -1.096 1.00 0.00 H new ATOM 0 HG21 VAL A 14 5.910 -5.496 -0.357 1.00 0.00 H new ATOM 0 HG22 VAL A 14 4.432 -4.690 -0.937 1.00 0.00 H new ATOM 0 HG23 VAL A 14 5.046 -6.134 -1.777 1.00 0.00 H new ATOM 242 N GLU A 15 5.179 -5.521 -5.214 1.00 0.00 N ATOM 243 CA GLU A 15 4.666 -6.716 -5.940 1.00 0.00 C ATOM 244 C GLU A 15 5.697 -7.165 -6.989 1.00 0.00 C ATOM 245 O GLU A 15 6.119 -6.395 -7.826 1.00 0.00 O ATOM 246 CB GLU A 15 3.365 -6.263 -6.595 1.00 0.00 C ATOM 247 CG GLU A 15 3.662 -5.344 -7.779 1.00 0.00 C ATOM 248 CD GLU A 15 3.554 -6.145 -9.075 1.00 0.00 C ATOM 249 OE1 GLU A 15 4.043 -7.262 -9.099 1.00 0.00 O ATOM 250 OE2 GLU A 15 2.981 -5.630 -10.022 1.00 0.00 O ATOM 0 H GLU A 15 5.889 -4.989 -5.718 1.00 0.00 H new ATOM 0 HA GLU A 15 4.495 -7.568 -5.282 1.00 0.00 H new ATOM 0 HB2 GLU A 15 2.798 -7.131 -6.932 1.00 0.00 H new ATOM 0 HB3 GLU A 15 2.745 -5.741 -5.866 1.00 0.00 H new ATOM 0 HG2 GLU A 15 2.960 -4.510 -7.793 1.00 0.00 H new ATOM 0 HG3 GLU A 15 4.661 -4.918 -7.683 1.00 0.00 H new ATOM 257 N ASP A 16 6.112 -8.406 -6.915 1.00 0.00 N ATOM 258 CA ASP A 16 7.138 -8.969 -7.857 1.00 0.00 C ATOM 259 C ASP A 16 7.338 -8.127 -9.128 1.00 0.00 C ATOM 260 O ASP A 16 8.448 -7.768 -9.467 1.00 0.00 O ATOM 261 CB ASP A 16 6.601 -10.353 -8.225 1.00 0.00 C ATOM 262 CG ASP A 16 5.109 -10.253 -8.551 1.00 0.00 C ATOM 263 OD1 ASP A 16 4.789 -9.796 -9.636 1.00 0.00 O ATOM 264 OD2 ASP A 16 4.312 -10.634 -7.709 1.00 0.00 O ATOM 0 H ASP A 16 5.774 -9.073 -6.222 1.00 0.00 H new ATOM 0 HA ASP A 16 8.118 -8.988 -7.380 1.00 0.00 H new ATOM 0 HB2 ASP A 16 7.145 -10.750 -9.082 1.00 0.00 H new ATOM 0 HB3 ASP A 16 6.758 -11.047 -7.399 1.00 0.00 H new ATOM 269 N GLU A 17 6.293 -7.833 -9.853 1.00 0.00 N ATOM 270 CA GLU A 17 6.465 -7.048 -11.114 1.00 0.00 C ATOM 271 C GLU A 17 6.847 -5.591 -10.835 1.00 0.00 C ATOM 272 O GLU A 17 6.673 -5.084 -9.745 1.00 0.00 O ATOM 273 CB GLU A 17 5.110 -7.123 -11.818 1.00 0.00 C ATOM 274 CG GLU A 17 4.774 -8.585 -12.119 1.00 0.00 C ATOM 275 CD GLU A 17 3.343 -8.884 -11.668 1.00 0.00 C ATOM 276 OE1 GLU A 17 2.609 -7.940 -11.429 1.00 0.00 O ATOM 277 OE2 GLU A 17 3.004 -10.053 -11.572 1.00 0.00 O ATOM 0 H GLU A 17 5.334 -8.099 -9.631 1.00 0.00 H new ATOM 0 HA GLU A 17 7.274 -7.454 -11.722 1.00 0.00 H new ATOM 0 HB2 GLU A 17 4.336 -6.683 -11.189 1.00 0.00 H new ATOM 0 HB3 GLU A 17 5.136 -6.546 -12.743 1.00 0.00 H new ATOM 0 HG2 GLU A 17 4.878 -8.781 -13.186 1.00 0.00 H new ATOM 0 HG3 GLU A 17 5.474 -9.243 -11.604 1.00 0.00 H new ATOM 284 N SER A 18 7.372 -4.920 -11.831 1.00 0.00 N ATOM 285 CA SER A 18 7.778 -3.495 -11.661 1.00 0.00 C ATOM 286 C SER A 18 6.685 -2.569 -12.197 1.00 0.00 C ATOM 287 O SER A 18 6.797 -1.361 -12.138 1.00 0.00 O ATOM 288 CB SER A 18 9.056 -3.347 -12.485 1.00 0.00 C ATOM 289 OG SER A 18 8.794 -3.721 -13.831 1.00 0.00 O ATOM 0 H SER A 18 7.537 -5.304 -12.761 1.00 0.00 H new ATOM 0 HA SER A 18 7.935 -3.231 -10.615 1.00 0.00 H new ATOM 0 HB2 SER A 18 9.411 -2.317 -12.444 1.00 0.00 H new ATOM 0 HB3 SER A 18 9.845 -3.973 -12.069 1.00 0.00 H new ATOM 0 HG SER A 18 9.612 -3.625 -14.362 1.00 0.00 H new ATOM 295 N MET A 19 5.619 -3.125 -12.704 1.00 0.00 N ATOM 296 CA MET A 19 4.517 -2.268 -13.220 1.00 0.00 C ATOM 297 C MET A 19 3.980 -1.408 -12.076 1.00 0.00 C ATOM 298 O MET A 19 3.276 -0.440 -12.282 1.00 0.00 O ATOM 299 CB MET A 19 3.447 -3.240 -13.718 1.00 0.00 C ATOM 300 CG MET A 19 2.914 -4.067 -12.545 1.00 0.00 C ATOM 301 SD MET A 19 1.179 -4.491 -12.844 1.00 0.00 S ATOM 302 CE MET A 19 1.455 -5.603 -14.245 1.00 0.00 C ATOM 0 H MET A 19 5.465 -4.130 -12.783 1.00 0.00 H new ATOM 0 HA MET A 19 4.838 -1.596 -14.016 1.00 0.00 H new ATOM 0 HB2 MET A 19 2.632 -2.689 -14.187 1.00 0.00 H new ATOM 0 HB3 MET A 19 3.866 -3.898 -14.479 1.00 0.00 H new ATOM 0 HG2 MET A 19 3.506 -4.975 -12.427 1.00 0.00 H new ATOM 0 HG3 MET A 19 3.007 -3.503 -11.617 1.00 0.00 H new ATOM 0 HE1 MET A 19 0.548 -6.176 -14.438 1.00 0.00 H new ATOM 0 HE2 MET A 19 1.710 -5.018 -15.129 1.00 0.00 H new ATOM 0 HE3 MET A 19 2.273 -6.285 -14.013 1.00 0.00 H new ATOM 312 N ILE A 20 4.324 -1.760 -10.865 1.00 0.00 N ATOM 313 CA ILE A 20 3.856 -0.973 -9.690 1.00 0.00 C ATOM 314 C ILE A 20 4.821 0.180 -9.421 1.00 0.00 C ATOM 315 O ILE A 20 4.457 1.196 -8.865 1.00 0.00 O ATOM 316 CB ILE A 20 3.848 -1.959 -8.517 1.00 0.00 C ATOM 317 CG1 ILE A 20 3.724 -1.188 -7.202 1.00 0.00 C ATOM 318 CG2 ILE A 20 5.134 -2.791 -8.490 1.00 0.00 C ATOM 319 CD1 ILE A 20 3.673 -2.178 -6.035 1.00 0.00 C ATOM 0 H ILE A 20 4.912 -2.563 -10.640 1.00 0.00 H new ATOM 0 HA ILE A 20 2.870 -0.536 -9.850 1.00 0.00 H new ATOM 0 HB ILE A 20 2.999 -2.631 -8.641 1.00 0.00 H new ATOM 0 HG12 ILE A 20 4.571 -0.512 -7.083 1.00 0.00 H new ATOM 0 HG13 ILE A 20 2.824 -0.573 -7.212 1.00 0.00 H new ATOM 0 HG21 ILE A 20 5.102 -3.482 -7.648 1.00 0.00 H new ATOM 0 HG22 ILE A 20 5.223 -3.354 -9.419 1.00 0.00 H new ATOM 0 HG23 ILE A 20 5.993 -2.129 -8.384 1.00 0.00 H new ATOM 0 HD11 ILE A 20 3.585 -1.630 -5.097 1.00 0.00 H new ATOM 0 HD12 ILE A 20 2.812 -2.836 -6.153 1.00 0.00 H new ATOM 0 HD13 ILE A 20 4.586 -2.773 -6.023 1.00 0.00 H new ATOM 331 N ALA A 21 6.050 0.022 -9.816 1.00 0.00 N ATOM 332 CA ALA A 21 7.058 1.094 -9.592 1.00 0.00 C ATOM 333 C ALA A 21 6.701 2.350 -10.392 1.00 0.00 C ATOM 334 O ALA A 21 6.281 3.349 -9.842 1.00 0.00 O ATOM 335 CB ALA A 21 8.359 0.485 -10.099 1.00 0.00 C ATOM 0 H ALA A 21 6.404 -0.810 -10.288 1.00 0.00 H new ATOM 0 HA ALA A 21 7.116 1.405 -8.549 1.00 0.00 H new ATOM 0 HB1 ALA A 21 9.169 1.204 -9.976 1.00 0.00 H new ATOM 0 HB2 ALA A 21 8.585 -0.417 -9.530 1.00 0.00 H new ATOM 0 HB3 ALA A 21 8.255 0.232 -11.154 1.00 0.00 H new ATOM 341 N MET A 22 6.868 2.311 -11.685 1.00 0.00 N ATOM 342 CA MET A 22 6.536 3.511 -12.507 1.00 0.00 C ATOM 343 C MET A 22 5.069 3.887 -12.304 1.00 0.00 C ATOM 344 O MET A 22 4.687 5.035 -12.417 1.00 0.00 O ATOM 345 CB MET A 22 6.794 3.093 -13.956 1.00 0.00 C ATOM 346 CG MET A 22 7.517 4.220 -14.694 1.00 0.00 C ATOM 347 SD MET A 22 9.160 3.654 -15.199 1.00 0.00 S ATOM 348 CE MET A 22 9.057 4.175 -16.929 1.00 0.00 C ATOM 0 H MET A 22 7.217 1.507 -12.206 1.00 0.00 H new ATOM 0 HA MET A 22 7.132 4.381 -12.231 1.00 0.00 H new ATOM 0 HB2 MET A 22 7.395 2.184 -13.981 1.00 0.00 H new ATOM 0 HB3 MET A 22 5.851 2.866 -14.453 1.00 0.00 H new ATOM 0 HG2 MET A 22 6.941 4.525 -15.568 1.00 0.00 H new ATOM 0 HG3 MET A 22 7.604 5.094 -14.049 1.00 0.00 H new ATOM 0 HE1 MET A 22 9.984 3.919 -17.442 1.00 0.00 H new ATOM 0 HE2 MET A 22 8.222 3.668 -17.413 1.00 0.00 H new ATOM 0 HE3 MET A 22 8.903 5.253 -16.976 1.00 0.00 H new ATOM 358 N LEU A 23 4.253 2.925 -11.985 1.00 0.00 N ATOM 359 CA LEU A 23 2.811 3.206 -11.746 1.00 0.00 C ATOM 360 C LEU A 23 2.666 3.984 -10.433 1.00 0.00 C ATOM 361 O LEU A 23 1.595 4.431 -10.073 1.00 0.00 O ATOM 362 CB LEU A 23 2.185 1.807 -11.644 1.00 0.00 C ATOM 363 CG LEU A 23 0.779 1.862 -11.034 1.00 0.00 C ATOM 364 CD1 LEU A 23 0.881 2.033 -9.518 1.00 0.00 C ATOM 365 CD2 LEU A 23 -0.016 3.023 -11.633 1.00 0.00 C ATOM 0 H LEU A 23 4.525 1.948 -11.878 1.00 0.00 H new ATOM 0 HA LEU A 23 2.337 3.808 -12.521 1.00 0.00 H new ATOM 0 HB2 LEU A 23 2.135 1.357 -12.635 1.00 0.00 H new ATOM 0 HB3 LEU A 23 2.822 1.166 -11.035 1.00 0.00 H new ATOM 0 HG LEU A 23 0.261 0.930 -11.260 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -0.120 2.072 -9.088 1.00 0.00 H new ATOM 0 HD12 LEU A 23 1.426 1.190 -9.093 1.00 0.00 H new ATOM 0 HD13 LEU A 23 1.409 2.959 -9.291 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -1.012 3.049 -11.190 1.00 0.00 H new ATOM 0 HD22 LEU A 23 0.498 3.961 -11.425 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -0.102 2.887 -12.711 1.00 0.00 H new ATOM 377 N ILE A 24 3.745 4.135 -9.710 1.00 0.00 N ATOM 378 CA ILE A 24 3.686 4.860 -8.411 1.00 0.00 C ATOM 379 C ILE A 24 4.224 6.294 -8.551 1.00 0.00 C ATOM 380 O ILE A 24 3.574 7.246 -8.170 1.00 0.00 O ATOM 381 CB ILE A 24 4.554 3.998 -7.471 1.00 0.00 C ATOM 382 CG1 ILE A 24 3.805 3.770 -6.157 1.00 0.00 C ATOM 383 CG2 ILE A 24 5.905 4.663 -7.171 1.00 0.00 C ATOM 384 CD1 ILE A 24 4.009 2.323 -5.694 1.00 0.00 C ATOM 0 H ILE A 24 4.668 3.785 -9.967 1.00 0.00 H new ATOM 0 HA ILE A 24 2.671 4.981 -8.033 1.00 0.00 H new ATOM 0 HB ILE A 24 4.748 3.050 -7.972 1.00 0.00 H new ATOM 0 HG12 ILE A 24 4.167 4.461 -5.396 1.00 0.00 H new ATOM 0 HG13 ILE A 24 2.743 3.973 -6.292 1.00 0.00 H new ATOM 0 HG21 ILE A 24 6.486 4.024 -6.506 1.00 0.00 H new ATOM 0 HG22 ILE A 24 6.453 4.811 -8.102 1.00 0.00 H new ATOM 0 HG23 ILE A 24 5.737 5.628 -6.692 1.00 0.00 H new ATOM 0 HD11 ILE A 24 3.475 2.162 -4.758 1.00 0.00 H new ATOM 0 HD12 ILE A 24 3.625 1.641 -6.453 1.00 0.00 H new ATOM 0 HD13 ILE A 24 5.072 2.136 -5.542 1.00 0.00 H new ATOM 396 N GLU A 25 5.408 6.452 -9.079 1.00 0.00 N ATOM 397 CA GLU A 25 5.981 7.822 -9.221 1.00 0.00 C ATOM 398 C GLU A 25 5.046 8.706 -10.046 1.00 0.00 C ATOM 399 O GLU A 25 5.080 9.918 -9.955 1.00 0.00 O ATOM 400 CB GLU A 25 7.318 7.627 -9.937 1.00 0.00 C ATOM 401 CG GLU A 25 8.382 7.203 -8.921 1.00 0.00 C ATOM 402 CD GLU A 25 9.665 8.002 -9.159 1.00 0.00 C ATOM 403 OE1 GLU A 25 9.580 9.218 -9.216 1.00 0.00 O ATOM 404 OE2 GLU A 25 10.711 7.385 -9.278 1.00 0.00 O ATOM 0 H GLU A 25 6.002 5.695 -9.417 1.00 0.00 H new ATOM 0 HA GLU A 25 6.109 8.315 -8.258 1.00 0.00 H new ATOM 0 HB2 GLU A 25 7.220 6.869 -10.715 1.00 0.00 H new ATOM 0 HB3 GLU A 25 7.618 8.552 -10.429 1.00 0.00 H new ATOM 0 HG2 GLU A 25 8.019 7.372 -7.907 1.00 0.00 H new ATOM 0 HG3 GLU A 25 8.583 6.136 -9.014 1.00 0.00 H new ATOM 411 N ASP A 26 4.203 8.112 -10.846 1.00 0.00 N ATOM 412 CA ASP A 26 3.261 8.926 -11.664 1.00 0.00 C ATOM 413 C ASP A 26 2.066 9.340 -10.804 1.00 0.00 C ATOM 414 O ASP A 26 1.528 10.421 -10.946 1.00 0.00 O ATOM 415 CB ASP A 26 2.823 8.006 -12.806 1.00 0.00 C ATOM 416 CG ASP A 26 1.842 6.959 -12.274 1.00 0.00 C ATOM 417 OD1 ASP A 26 2.123 6.385 -11.234 1.00 0.00 O ATOM 418 OD2 ASP A 26 0.828 6.747 -12.917 1.00 0.00 O ATOM 0 H ASP A 26 4.126 7.102 -10.968 1.00 0.00 H new ATOM 0 HA ASP A 26 3.715 9.841 -12.045 1.00 0.00 H new ATOM 0 HB2 ASP A 26 2.353 8.590 -13.597 1.00 0.00 H new ATOM 0 HB3 ASP A 26 3.692 7.515 -13.245 1.00 0.00 H new ATOM 423 N THR A 27 1.659 8.494 -9.898 1.00 0.00 N ATOM 424 CA THR A 27 0.519 8.844 -9.013 1.00 0.00 C ATOM 425 C THR A 27 1.007 9.826 -7.947 1.00 0.00 C ATOM 426 O THR A 27 0.416 10.862 -7.715 1.00 0.00 O ATOM 427 CB THR A 27 0.091 7.525 -8.373 1.00 0.00 C ATOM 428 OG1 THR A 27 1.227 6.890 -7.800 1.00 0.00 O ATOM 429 CG2 THR A 27 -0.525 6.611 -9.435 1.00 0.00 C ATOM 0 H THR A 27 2.069 7.575 -9.734 1.00 0.00 H new ATOM 0 HA THR A 27 -0.308 9.313 -9.546 1.00 0.00 H new ATOM 0 HB THR A 27 -0.649 7.722 -7.597 1.00 0.00 H new ATOM 0 HG1 THR A 27 2.042 7.245 -8.211 1.00 0.00 H new ATOM 0 HG21 THR A 27 -0.829 5.671 -8.974 1.00 0.00 H new ATOM 0 HG22 THR A 27 -1.396 7.098 -9.874 1.00 0.00 H new ATOM 0 HG23 THR A 27 0.210 6.412 -10.214 1.00 0.00 H new ATOM 437 N LEU A 28 2.104 9.508 -7.316 1.00 0.00 N ATOM 438 CA LEU A 28 2.673 10.417 -6.283 1.00 0.00 C ATOM 439 C LEU A 28 2.969 11.778 -6.928 1.00 0.00 C ATOM 440 O LEU A 28 2.875 12.810 -6.299 1.00 0.00 O ATOM 441 CB LEU A 28 3.957 9.701 -5.838 1.00 0.00 C ATOM 442 CG LEU A 28 5.144 10.668 -5.778 1.00 0.00 C ATOM 443 CD1 LEU A 28 6.239 10.054 -4.916 1.00 0.00 C ATOM 444 CD2 LEU A 28 5.684 10.904 -7.191 1.00 0.00 C ATOM 0 H LEU A 28 2.634 8.651 -7.474 1.00 0.00 H new ATOM 0 HA LEU A 28 2.011 10.611 -5.439 1.00 0.00 H new ATOM 0 HB2 LEU A 28 3.803 9.250 -4.858 1.00 0.00 H new ATOM 0 HB3 LEU A 28 4.181 8.889 -6.530 1.00 0.00 H new ATOM 0 HG LEU A 28 4.823 11.618 -5.351 1.00 0.00 H new ATOM 0 HD11 LEU A 28 7.089 10.735 -4.867 1.00 0.00 H new ATOM 0 HD12 LEU A 28 5.856 9.879 -3.911 1.00 0.00 H new ATOM 0 HD13 LEU A 28 6.558 9.107 -5.352 1.00 0.00 H new ATOM 0 HD21 LEU A 28 6.528 11.592 -7.148 1.00 0.00 H new ATOM 0 HD22 LEU A 28 6.010 9.956 -7.619 1.00 0.00 H new ATOM 0 HD23 LEU A 28 4.899 11.332 -7.814 1.00 0.00 H new ATOM 456 N CYS A 29 3.328 11.779 -8.186 1.00 0.00 N ATOM 457 CA CYS A 29 3.630 13.067 -8.874 1.00 0.00 C ATOM 458 C CYS A 29 2.580 14.116 -8.502 1.00 0.00 C ATOM 459 O CYS A 29 2.883 15.278 -8.316 1.00 0.00 O ATOM 460 CB CYS A 29 3.560 12.749 -10.368 1.00 0.00 C ATOM 461 SG CYS A 29 5.236 12.554 -11.026 1.00 0.00 S ATOM 0 H CYS A 29 3.425 10.945 -8.765 1.00 0.00 H new ATOM 0 HA CYS A 29 4.603 13.469 -8.590 1.00 0.00 H new ATOM 0 HB2 CYS A 29 2.986 11.836 -10.529 1.00 0.00 H new ATOM 0 HB3 CYS A 29 3.042 13.549 -10.897 1.00 0.00 H new ATOM 0 HG CYS A 29 5.719 11.407 -10.650 1.00 0.00 H new ATOM 467 N GLU A 30 1.344 13.711 -8.396 1.00 0.00 N ATOM 468 CA GLU A 30 0.266 14.669 -8.042 1.00 0.00 C ATOM 469 C GLU A 30 0.156 14.812 -6.522 1.00 0.00 C ATOM 470 O GLU A 30 0.006 15.896 -5.997 1.00 0.00 O ATOM 471 CB GLU A 30 -1.012 14.048 -8.608 1.00 0.00 C ATOM 472 CG GLU A 30 -2.230 14.737 -7.989 1.00 0.00 C ATOM 473 CD GLU A 30 -3.499 14.280 -8.711 1.00 0.00 C ATOM 474 OE1 GLU A 30 -3.424 14.042 -9.904 1.00 0.00 O ATOM 475 OE2 GLU A 30 -4.524 14.178 -8.056 1.00 0.00 O ATOM 0 H GLU A 30 1.035 12.750 -8.541 1.00 0.00 H new ATOM 0 HA GLU A 30 0.455 15.665 -8.442 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -1.032 14.155 -9.693 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -1.036 12.980 -8.393 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -2.296 14.497 -6.928 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -2.126 15.819 -8.065 1.00 0.00 H new ATOM 482 N LEU A 31 0.214 13.719 -5.815 1.00 0.00 N ATOM 483 CA LEU A 31 0.096 13.782 -4.330 1.00 0.00 C ATOM 484 C LEU A 31 1.375 14.346 -3.706 1.00 0.00 C ATOM 485 O LEU A 31 1.335 15.024 -2.699 1.00 0.00 O ATOM 486 CB LEU A 31 -0.120 12.334 -3.891 1.00 0.00 C ATOM 487 CG LEU A 31 -1.377 11.778 -4.563 1.00 0.00 C ATOM 488 CD1 LEU A 31 -1.355 10.250 -4.499 1.00 0.00 C ATOM 489 CD2 LEU A 31 -2.617 12.301 -3.834 1.00 0.00 C ATOM 0 H LEU A 31 0.338 12.783 -6.201 1.00 0.00 H new ATOM 0 HA LEU A 31 -0.717 14.435 -4.013 1.00 0.00 H new ATOM 0 HB2 LEU A 31 0.746 11.729 -4.159 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -0.222 12.283 -2.807 1.00 0.00 H new ATOM 0 HG LEU A 31 -1.405 12.098 -5.605 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -2.250 9.853 -4.978 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -0.471 9.877 -5.016 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -1.328 9.930 -3.457 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -3.514 11.906 -4.312 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -2.589 11.980 -2.793 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -2.633 13.390 -3.878 1.00 0.00 H new ATOM 501 N GLY A 32 2.513 14.063 -4.280 1.00 0.00 N ATOM 502 CA GLY A 32 3.780 14.580 -3.692 1.00 0.00 C ATOM 503 C GLY A 32 3.951 13.954 -2.311 1.00 0.00 C ATOM 504 O GLY A 32 4.416 14.577 -1.378 1.00 0.00 O ATOM 0 H GLY A 32 2.619 13.500 -5.124 1.00 0.00 H new ATOM 0 HA2 GLY A 32 4.627 14.329 -4.331 1.00 0.00 H new ATOM 0 HA3 GLY A 32 3.749 15.667 -3.616 1.00 0.00 H new ATOM 508 N HIS A 33 3.553 12.720 -2.184 1.00 0.00 N ATOM 509 CA HIS A 33 3.652 12.007 -0.880 1.00 0.00 C ATOM 510 C HIS A 33 5.101 12.034 -0.339 1.00 0.00 C ATOM 511 O HIS A 33 5.871 12.921 -0.655 1.00 0.00 O ATOM 512 CB HIS A 33 3.184 10.591 -1.221 1.00 0.00 C ATOM 513 CG HIS A 33 1.700 10.460 -0.994 1.00 0.00 C ATOM 514 ND1 HIS A 33 0.855 11.007 -0.060 1.00 0.00 N flip ATOM 515 CD2 HIS A 33 0.900 9.668 -1.808 1.00 0.00 C flip ATOM 516 CE1 HIS A 33 -0.446 10.563 -0.286 1.00 0.00 C flip ATOM 517 NE2 HIS A 33 -0.363 9.759 -1.351 1.00 0.00 N flip ATOM 0 H HIS A 33 3.156 12.165 -2.942 1.00 0.00 H new ATOM 0 HA HIS A 33 3.056 12.461 -0.089 1.00 0.00 H new ATOM 0 HB2 HIS A 33 3.421 10.363 -2.260 1.00 0.00 H new ATOM 0 HB3 HIS A 33 3.718 9.867 -0.606 1.00 0.00 H new ATOM 0 HD1 HIS A 33 1.137 11.642 0.686 1.00 0.00 H new ATOM 0 HD2 HIS A 33 1.231 9.085 -2.654 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -1.332 10.814 0.278 1.00 0.00 H new ATOM 525 N GLU A 34 5.469 11.095 0.504 1.00 0.00 N ATOM 526 CA GLU A 34 6.855 11.108 1.096 1.00 0.00 C ATOM 527 C GLU A 34 7.809 10.077 0.447 1.00 0.00 C ATOM 528 O GLU A 34 8.592 10.413 -0.418 1.00 0.00 O ATOM 529 CB GLU A 34 6.628 10.768 2.563 1.00 0.00 C ATOM 530 CG GLU A 34 6.568 12.056 3.384 1.00 0.00 C ATOM 531 CD GLU A 34 5.108 12.457 3.605 1.00 0.00 C ATOM 532 OE1 GLU A 34 4.278 12.068 2.798 1.00 0.00 O ATOM 533 OE2 GLU A 34 4.844 13.146 4.577 1.00 0.00 O ATOM 0 H GLU A 34 4.876 10.323 0.808 1.00 0.00 H new ATOM 0 HA GLU A 34 7.340 12.071 0.934 1.00 0.00 H new ATOM 0 HB2 GLU A 34 5.700 10.208 2.678 1.00 0.00 H new ATOM 0 HB3 GLU A 34 7.433 10.129 2.928 1.00 0.00 H new ATOM 0 HG2 GLU A 34 7.065 11.911 4.343 1.00 0.00 H new ATOM 0 HG3 GLU A 34 7.100 12.854 2.867 1.00 0.00 H new ATOM 540 N VAL A 35 7.769 8.833 0.871 1.00 0.00 N ATOM 541 CA VAL A 35 8.687 7.801 0.281 1.00 0.00 C ATOM 542 C VAL A 35 7.921 6.491 0.030 1.00 0.00 C ATOM 543 O VAL A 35 7.536 5.801 0.953 1.00 0.00 O ATOM 544 CB VAL A 35 9.777 7.597 1.334 1.00 0.00 C ATOM 545 CG1 VAL A 35 9.167 6.962 2.583 1.00 0.00 C ATOM 546 CG2 VAL A 35 10.863 6.674 0.775 1.00 0.00 C ATOM 0 H VAL A 35 7.142 8.488 1.598 1.00 0.00 H new ATOM 0 HA VAL A 35 9.101 8.112 -0.678 1.00 0.00 H new ATOM 0 HB VAL A 35 10.216 8.561 1.592 1.00 0.00 H new ATOM 0 HG11 VAL A 35 9.944 6.817 3.334 1.00 0.00 H new ATOM 0 HG12 VAL A 35 8.394 7.617 2.984 1.00 0.00 H new ATOM 0 HG13 VAL A 35 8.728 5.999 2.324 1.00 0.00 H new ATOM 0 HG21 VAL A 35 11.639 6.529 1.526 1.00 0.00 H new ATOM 0 HG22 VAL A 35 10.424 5.710 0.517 1.00 0.00 H new ATOM 0 HG23 VAL A 35 11.300 7.124 -0.116 1.00 0.00 H new ATOM 556 N ALA A 36 7.688 6.151 -1.212 1.00 0.00 N ATOM 557 CA ALA A 36 6.926 4.906 -1.521 1.00 0.00 C ATOM 558 C ALA A 36 7.842 3.709 -1.724 1.00 0.00 C ATOM 559 O ALA A 36 9.033 3.756 -1.487 1.00 0.00 O ATOM 560 CB ALA A 36 6.189 5.190 -2.834 1.00 0.00 C ATOM 0 H ALA A 36 7.994 6.684 -2.026 1.00 0.00 H new ATOM 0 HA ALA A 36 6.259 4.660 -0.695 1.00 0.00 H new ATOM 0 HB1 ALA A 36 5.607 4.314 -3.121 1.00 0.00 H new ATOM 0 HB2 ALA A 36 5.522 6.041 -2.700 1.00 0.00 H new ATOM 0 HB3 ALA A 36 6.913 5.417 -3.616 1.00 0.00 H new ATOM 566 N ALA A 37 7.269 2.639 -2.189 1.00 0.00 N ATOM 567 CA ALA A 37 8.050 1.409 -2.456 1.00 0.00 C ATOM 568 C ALA A 37 7.428 0.687 -3.649 1.00 0.00 C ATOM 569 O ALA A 37 6.250 0.815 -3.916 1.00 0.00 O ATOM 570 CB ALA A 37 7.930 0.562 -1.188 1.00 0.00 C ATOM 0 H ALA A 37 6.273 2.566 -2.399 1.00 0.00 H new ATOM 0 HA ALA A 37 9.095 1.611 -2.691 1.00 0.00 H new ATOM 0 HB1 ALA A 37 8.486 -0.366 -1.317 1.00 0.00 H new ATOM 0 HB2 ALA A 37 8.337 1.115 -0.341 1.00 0.00 H new ATOM 0 HB3 ALA A 37 6.881 0.333 -1.001 1.00 0.00 H new ATOM 576 N THR A 38 8.205 -0.061 -4.370 1.00 0.00 N ATOM 577 CA THR A 38 7.652 -0.784 -5.547 1.00 0.00 C ATOM 578 C THR A 38 8.219 -2.197 -5.633 1.00 0.00 C ATOM 579 O THR A 38 9.149 -2.553 -4.939 1.00 0.00 O ATOM 580 CB THR A 38 8.072 0.030 -6.766 1.00 0.00 C ATOM 581 OG1 THR A 38 7.758 -0.711 -7.935 1.00 0.00 O ATOM 582 CG2 THR A 38 9.577 0.301 -6.724 1.00 0.00 C ATOM 0 H THR A 38 9.200 -0.205 -4.198 1.00 0.00 H new ATOM 0 HA THR A 38 6.569 -0.883 -5.478 1.00 0.00 H new ATOM 0 HB THR A 38 7.544 0.983 -6.770 1.00 0.00 H new ATOM 0 HG1 THR A 38 8.467 -1.365 -8.108 1.00 0.00 H new ATOM 0 HG21 THR A 38 9.866 0.883 -7.599 1.00 0.00 H new ATOM 0 HG22 THR A 38 9.821 0.859 -5.820 1.00 0.00 H new ATOM 0 HG23 THR A 38 10.117 -0.646 -6.723 1.00 0.00 H new ATOM 590 N ALA A 39 7.644 -3.005 -6.477 1.00 0.00 N ATOM 591 CA ALA A 39 8.109 -4.409 -6.614 1.00 0.00 C ATOM 592 C ALA A 39 8.014 -5.087 -5.257 1.00 0.00 C ATOM 593 O ALA A 39 8.064 -4.446 -4.233 1.00 0.00 O ATOM 594 CB ALA A 39 9.558 -4.324 -7.069 1.00 0.00 C ATOM 0 H ALA A 39 6.864 -2.749 -7.083 1.00 0.00 H new ATOM 0 HA ALA A 39 7.512 -4.983 -7.323 1.00 0.00 H new ATOM 0 HB1 ALA A 39 9.961 -5.330 -7.189 1.00 0.00 H new ATOM 0 HB2 ALA A 39 9.610 -3.796 -8.021 1.00 0.00 H new ATOM 0 HB3 ALA A 39 10.143 -3.785 -6.323 1.00 0.00 H new ATOM 600 N SER A 40 7.849 -6.367 -5.229 1.00 0.00 N ATOM 601 CA SER A 40 7.738 -7.048 -3.914 1.00 0.00 C ATOM 602 C SER A 40 9.126 -7.239 -3.312 1.00 0.00 C ATOM 603 O SER A 40 10.042 -7.695 -3.966 1.00 0.00 O ATOM 604 CB SER A 40 7.073 -8.384 -4.196 1.00 0.00 C ATOM 605 OG SER A 40 7.857 -9.125 -5.121 1.00 0.00 O ATOM 0 H SER A 40 7.786 -6.972 -6.048 1.00 0.00 H new ATOM 0 HA SER A 40 7.158 -6.468 -3.196 1.00 0.00 H new ATOM 0 HB2 SER A 40 6.958 -8.947 -3.269 1.00 0.00 H new ATOM 0 HB3 SER A 40 6.072 -8.225 -4.598 1.00 0.00 H new ATOM 0 HG SER A 40 8.788 -8.822 -5.077 1.00 0.00 H new ATOM 611 N ARG A 41 9.292 -6.885 -2.068 1.00 0.00 N ATOM 612 CA ARG A 41 10.621 -7.037 -1.430 1.00 0.00 C ATOM 613 C ARG A 41 10.456 -7.362 0.056 1.00 0.00 C ATOM 614 O ARG A 41 9.888 -6.598 0.812 1.00 0.00 O ATOM 615 CB ARG A 41 11.302 -5.682 -1.614 1.00 0.00 C ATOM 616 CG ARG A 41 12.808 -5.884 -1.766 1.00 0.00 C ATOM 617 CD ARG A 41 13.107 -6.349 -3.193 1.00 0.00 C ATOM 618 NE ARG A 41 13.291 -5.095 -3.975 1.00 0.00 N ATOM 619 CZ ARG A 41 13.879 -5.129 -5.141 1.00 0.00 C ATOM 620 NH1 ARG A 41 14.319 -6.260 -5.622 1.00 0.00 N ATOM 621 NH2 ARG A 41 14.024 -4.029 -5.830 1.00 0.00 N ATOM 0 H ARG A 41 8.563 -6.498 -1.469 1.00 0.00 H new ATOM 0 HA ARG A 41 11.204 -7.847 -1.868 1.00 0.00 H new ATOM 0 HB2 ARG A 41 10.901 -5.179 -2.494 1.00 0.00 H new ATOM 0 HB3 ARG A 41 11.095 -5.040 -0.758 1.00 0.00 H new ATOM 0 HG2 ARG A 41 13.336 -4.954 -1.555 1.00 0.00 H new ATOM 0 HG3 ARG A 41 13.163 -6.622 -1.047 1.00 0.00 H new ATOM 0 HD2 ARG A 41 14.002 -6.970 -3.227 1.00 0.00 H new ATOM 0 HD3 ARG A 41 12.288 -6.947 -3.593 1.00 0.00 H new ATOM 0 HE ARG A 41 12.957 -4.207 -3.599 1.00 0.00 H new ATOM 0 HH11 ARG A 41 14.204 -7.121 -5.087 1.00 0.00 H new ATOM 0 HH12 ARG A 41 14.778 -6.283 -6.533 1.00 0.00 H new ATOM 0 HH21 ARG A 41 13.678 -3.145 -5.458 1.00 0.00 H new ATOM 0 HH22 ARG A 41 14.483 -4.054 -6.741 1.00 0.00 H new ATOM 635 N MET A 42 10.947 -8.491 0.477 1.00 0.00 N ATOM 636 CA MET A 42 10.821 -8.875 1.911 1.00 0.00 C ATOM 637 C MET A 42 11.408 -7.783 2.810 1.00 0.00 C ATOM 638 O MET A 42 10.889 -7.493 3.871 1.00 0.00 O ATOM 639 CB MET A 42 11.620 -10.172 2.042 1.00 0.00 C ATOM 640 CG MET A 42 11.223 -11.129 0.915 1.00 0.00 C ATOM 641 SD MET A 42 12.658 -11.444 -0.143 1.00 0.00 S ATOM 642 CE MET A 42 13.598 -12.430 1.048 1.00 0.00 C ATOM 0 H MET A 42 11.432 -9.168 -0.111 1.00 0.00 H new ATOM 0 HA MET A 42 9.782 -9.004 2.215 1.00 0.00 H new ATOM 0 HB2 MET A 42 12.688 -9.960 1.995 1.00 0.00 H new ATOM 0 HB3 MET A 42 11.429 -10.634 3.011 1.00 0.00 H new ATOM 0 HG2 MET A 42 10.853 -12.065 1.332 1.00 0.00 H new ATOM 0 HG3 MET A 42 10.412 -10.699 0.327 1.00 0.00 H new ATOM 0 HE1 MET A 42 14.307 -13.065 0.516 1.00 0.00 H new ATOM 0 HE2 MET A 42 14.140 -11.767 1.722 1.00 0.00 H new ATOM 0 HE3 MET A 42 12.914 -13.054 1.624 1.00 0.00 H new ATOM 652 N GLN A 43 12.484 -7.174 2.394 1.00 0.00 N ATOM 653 CA GLN A 43 13.103 -6.100 3.221 1.00 0.00 C ATOM 654 C GLN A 43 12.232 -4.841 3.189 1.00 0.00 C ATOM 655 O GLN A 43 11.702 -4.419 4.198 1.00 0.00 O ATOM 656 CB GLN A 43 14.463 -5.837 2.574 1.00 0.00 C ATOM 657 CG GLN A 43 15.499 -6.801 3.161 1.00 0.00 C ATOM 658 CD GLN A 43 16.907 -6.354 2.761 1.00 0.00 C ATOM 659 OE1 GLN A 43 17.448 -5.428 3.332 1.00 0.00 O ATOM 660 NE2 GLN A 43 17.528 -6.977 1.796 1.00 0.00 N ATOM 0 H GLN A 43 12.962 -7.374 1.516 1.00 0.00 H new ATOM 0 HA GLN A 43 13.202 -6.387 4.268 1.00 0.00 H new ATOM 0 HB2 GLN A 43 14.397 -5.970 1.494 1.00 0.00 H new ATOM 0 HB3 GLN A 43 14.769 -4.806 2.750 1.00 0.00 H new ATOM 0 HG2 GLN A 43 15.411 -6.827 4.247 1.00 0.00 H new ATOM 0 HG3 GLN A 43 15.313 -7.813 2.801 1.00 0.00 H new ATOM 0 HE21 GLN A 43 17.075 -7.755 1.316 1.00 0.00 H new ATOM 0 HE22 GLN A 43 18.467 -6.686 1.522 1.00 0.00 H new ATOM 669 N GLU A 44 12.073 -4.237 2.039 1.00 0.00 N ATOM 670 CA GLU A 44 11.225 -3.013 1.962 1.00 0.00 C ATOM 671 C GLU A 44 9.823 -3.332 2.475 1.00 0.00 C ATOM 672 O GLU A 44 9.254 -2.597 3.259 1.00 0.00 O ATOM 673 CB GLU A 44 11.185 -2.626 0.483 1.00 0.00 C ATOM 674 CG GLU A 44 12.610 -2.399 -0.025 1.00 0.00 C ATOM 675 CD GLU A 44 13.023 -0.951 0.244 1.00 0.00 C ATOM 676 OE1 GLU A 44 13.073 -0.576 1.405 1.00 0.00 O ATOM 677 OE2 GLU A 44 13.282 -0.241 -0.713 1.00 0.00 O ATOM 0 H GLU A 44 12.490 -4.536 1.158 1.00 0.00 H new ATOM 0 HA GLU A 44 11.619 -2.198 2.570 1.00 0.00 H new ATOM 0 HB2 GLU A 44 10.702 -3.413 -0.097 1.00 0.00 H new ATOM 0 HB3 GLU A 44 10.592 -1.722 0.349 1.00 0.00 H new ATOM 0 HG2 GLU A 44 13.298 -3.083 0.472 1.00 0.00 H new ATOM 0 HG3 GLU A 44 12.665 -2.612 -1.093 1.00 0.00 H new ATOM 684 N ALA A 45 9.264 -4.435 2.058 1.00 0.00 N ATOM 685 CA ALA A 45 7.909 -4.798 2.554 1.00 0.00 C ATOM 686 C ALA A 45 7.884 -4.607 4.067 1.00 0.00 C ATOM 687 O ALA A 45 6.920 -4.145 4.638 1.00 0.00 O ATOM 688 CB ALA A 45 7.730 -6.271 2.197 1.00 0.00 C ATOM 0 H ALA A 45 9.683 -5.094 1.402 1.00 0.00 H new ATOM 0 HA ALA A 45 7.116 -4.189 2.120 1.00 0.00 H new ATOM 0 HB1 ALA A 45 6.750 -6.610 2.533 1.00 0.00 H new ATOM 0 HB2 ALA A 45 7.806 -6.395 1.117 1.00 0.00 H new ATOM 0 HB3 ALA A 45 8.505 -6.861 2.686 1.00 0.00 H new ATOM 694 N LEU A 46 8.959 -4.944 4.715 1.00 0.00 N ATOM 695 CA LEU A 46 9.034 -4.769 6.183 1.00 0.00 C ATOM 696 C LEU A 46 9.157 -3.278 6.499 1.00 0.00 C ATOM 697 O LEU A 46 8.668 -2.799 7.502 1.00 0.00 O ATOM 698 CB LEU A 46 10.297 -5.522 6.596 1.00 0.00 C ATOM 699 CG LEU A 46 10.421 -5.530 8.117 1.00 0.00 C ATOM 700 CD1 LEU A 46 11.168 -6.790 8.559 1.00 0.00 C ATOM 701 CD2 LEU A 46 11.200 -4.292 8.562 1.00 0.00 C ATOM 0 H LEU A 46 9.796 -5.337 4.284 1.00 0.00 H new ATOM 0 HA LEU A 46 8.156 -5.142 6.710 1.00 0.00 H new ATOM 0 HB2 LEU A 46 10.261 -6.544 6.220 1.00 0.00 H new ATOM 0 HB3 LEU A 46 11.174 -5.050 6.153 1.00 0.00 H new ATOM 0 HG LEU A 46 9.429 -5.521 8.568 1.00 0.00 H new ATOM 0 HD11 LEU A 46 11.258 -6.798 9.645 1.00 0.00 H new ATOM 0 HD12 LEU A 46 10.617 -7.673 8.234 1.00 0.00 H new ATOM 0 HD13 LEU A 46 12.162 -6.799 8.113 1.00 0.00 H new ATOM 0 HD21 LEU A 46 11.292 -4.291 9.648 1.00 0.00 H new ATOM 0 HD22 LEU A 46 12.193 -4.306 8.113 1.00 0.00 H new ATOM 0 HD23 LEU A 46 10.670 -3.395 8.242 1.00 0.00 H new ATOM 713 N ASP A 47 9.807 -2.542 5.635 1.00 0.00 N ATOM 714 CA ASP A 47 9.962 -1.079 5.864 1.00 0.00 C ATOM 715 C ASP A 47 8.591 -0.398 5.831 1.00 0.00 C ATOM 716 O ASP A 47 8.457 0.755 6.172 1.00 0.00 O ATOM 717 CB ASP A 47 10.838 -0.576 4.714 1.00 0.00 C ATOM 718 CG ASP A 47 12.312 -0.795 5.055 1.00 0.00 C ATOM 719 OD1 ASP A 47 12.776 -1.912 4.903 1.00 0.00 O ATOM 720 OD2 ASP A 47 12.952 0.160 5.466 1.00 0.00 O ATOM 0 H ASP A 47 10.237 -2.894 4.780 1.00 0.00 H new ATOM 0 HA ASP A 47 10.409 -0.860 6.834 1.00 0.00 H new ATOM 0 HB2 ASP A 47 10.585 -1.103 3.794 1.00 0.00 H new ATOM 0 HB3 ASP A 47 10.649 0.483 4.537 1.00 0.00 H new ATOM 725 N ILE A 48 7.572 -1.105 5.423 1.00 0.00 N ATOM 726 CA ILE A 48 6.212 -0.513 5.377 1.00 0.00 C ATOM 727 C ILE A 48 5.468 -0.872 6.675 1.00 0.00 C ATOM 728 O ILE A 48 4.854 -0.041 7.306 1.00 0.00 O ATOM 729 CB ILE A 48 5.531 -1.108 4.116 1.00 0.00 C ATOM 730 CG1 ILE A 48 4.726 -2.375 4.446 1.00 0.00 C ATOM 731 CG2 ILE A 48 6.592 -1.448 3.075 1.00 0.00 C ATOM 732 CD1 ILE A 48 4.382 -3.117 3.146 1.00 0.00 C ATOM 0 H ILE A 48 7.628 -2.077 5.117 1.00 0.00 H new ATOM 0 HA ILE A 48 6.218 0.575 5.311 1.00 0.00 H new ATOM 0 HB ILE A 48 4.842 -0.359 3.727 1.00 0.00 H new ATOM 0 HG12 ILE A 48 5.303 -3.023 5.106 1.00 0.00 H new ATOM 0 HG13 ILE A 48 3.813 -2.110 4.978 1.00 0.00 H new ATOM 0 HG21 ILE A 48 6.112 -1.866 2.190 1.00 0.00 H new ATOM 0 HG22 ILE A 48 7.135 -0.544 2.801 1.00 0.00 H new ATOM 0 HG23 ILE A 48 7.288 -2.178 3.489 1.00 0.00 H new ATOM 0 HD11 ILE A 48 3.811 -4.016 3.380 1.00 0.00 H new ATOM 0 HD12 ILE A 48 3.789 -2.467 2.502 1.00 0.00 H new ATOM 0 HD13 ILE A 48 5.302 -3.395 2.632 1.00 0.00 H new ATOM 744 N ALA A 49 5.540 -2.102 7.099 1.00 0.00 N ATOM 745 CA ALA A 49 4.835 -2.487 8.352 1.00 0.00 C ATOM 746 C ALA A 49 5.564 -1.938 9.583 1.00 0.00 C ATOM 747 O ALA A 49 4.963 -1.351 10.459 1.00 0.00 O ATOM 748 CB ALA A 49 4.853 -4.016 8.357 1.00 0.00 C ATOM 0 H ALA A 49 6.053 -2.853 6.636 1.00 0.00 H new ATOM 0 HA ALA A 49 3.823 -2.084 8.389 1.00 0.00 H new ATOM 0 HB1 ALA A 49 4.351 -4.383 9.252 1.00 0.00 H new ATOM 0 HB2 ALA A 49 4.337 -4.389 7.472 1.00 0.00 H new ATOM 0 HB3 ALA A 49 5.885 -4.368 8.350 1.00 0.00 H new ATOM 754 N ARG A 50 6.851 -2.133 9.662 1.00 0.00 N ATOM 755 CA ARG A 50 7.615 -1.636 10.841 1.00 0.00 C ATOM 756 C ARG A 50 7.771 -0.109 10.800 1.00 0.00 C ATOM 757 O ARG A 50 8.467 0.467 11.613 1.00 0.00 O ATOM 758 CB ARG A 50 8.983 -2.315 10.734 1.00 0.00 C ATOM 759 CG ARG A 50 8.952 -3.659 11.467 1.00 0.00 C ATOM 760 CD ARG A 50 7.982 -4.607 10.757 1.00 0.00 C ATOM 761 NE ARG A 50 6.726 -4.533 11.553 1.00 0.00 N ATOM 762 CZ ARG A 50 5.868 -5.515 11.511 1.00 0.00 C ATOM 763 NH1 ARG A 50 6.286 -6.751 11.540 1.00 0.00 N ATOM 764 NH2 ARG A 50 4.590 -5.260 11.441 1.00 0.00 N ATOM 0 H ARG A 50 7.409 -2.617 8.958 1.00 0.00 H new ATOM 0 HA ARG A 50 7.106 -1.865 11.777 1.00 0.00 H new ATOM 0 HB2 ARG A 50 9.243 -2.467 9.686 1.00 0.00 H new ATOM 0 HB3 ARG A 50 9.753 -1.673 11.163 1.00 0.00 H new ATOM 0 HG2 ARG A 50 9.951 -4.095 11.491 1.00 0.00 H new ATOM 0 HG3 ARG A 50 8.643 -3.514 12.502 1.00 0.00 H new ATOM 0 HD2 ARG A 50 7.814 -4.301 9.724 1.00 0.00 H new ATOM 0 HD3 ARG A 50 8.373 -5.624 10.728 1.00 0.00 H new ATOM 0 HE ARG A 50 6.536 -3.714 12.131 1.00 0.00 H new ATOM 0 HH11 ARG A 50 7.285 -6.950 11.596 1.00 0.00 H new ATOM 0 HH12 ARG A 50 5.614 -7.518 11.507 1.00 0.00 H new ATOM 0 HH21 ARG A 50 4.263 -4.294 11.419 1.00 0.00 H new ATOM 0 HH22 ARG A 50 3.918 -6.027 11.408 1.00 0.00 H new ATOM 778 N LYS A 51 7.146 0.555 9.861 1.00 0.00 N ATOM 779 CA LYS A 51 7.289 2.036 9.784 1.00 0.00 C ATOM 780 C LYS A 51 6.247 2.740 10.654 1.00 0.00 C ATOM 781 O LYS A 51 6.567 3.615 11.434 1.00 0.00 O ATOM 782 CB LYS A 51 7.053 2.369 8.313 1.00 0.00 C ATOM 783 CG LYS A 51 7.220 3.870 8.091 1.00 0.00 C ATOM 784 CD LYS A 51 8.707 4.218 8.050 1.00 0.00 C ATOM 785 CE LYS A 51 9.358 3.527 6.850 1.00 0.00 C ATOM 786 NZ LYS A 51 10.438 4.455 6.413 1.00 0.00 N ATOM 0 H LYS A 51 6.547 0.137 9.149 1.00 0.00 H new ATOM 0 HA LYS A 51 8.264 2.366 10.143 1.00 0.00 H new ATOM 0 HB2 LYS A 51 7.757 1.819 7.688 1.00 0.00 H new ATOM 0 HB3 LYS A 51 6.052 2.057 8.016 1.00 0.00 H new ATOM 0 HG2 LYS A 51 6.741 4.166 7.158 1.00 0.00 H new ATOM 0 HG3 LYS A 51 6.728 4.423 8.891 1.00 0.00 H new ATOM 0 HD2 LYS A 51 8.837 5.298 7.977 1.00 0.00 H new ATOM 0 HD3 LYS A 51 9.192 3.901 8.973 1.00 0.00 H new ATOM 0 HE2 LYS A 51 9.762 2.553 7.126 1.00 0.00 H new ATOM 0 HE3 LYS A 51 8.635 3.358 6.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 10.965 4.028 5.625 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 10.018 5.354 6.102 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 11.086 4.632 7.207 1.00 0.00 H new ATOM 800 N GLY A 52 5.003 2.367 10.530 1.00 0.00 N ATOM 801 CA GLY A 52 3.941 3.015 11.354 1.00 0.00 C ATOM 802 C GLY A 52 3.517 4.362 10.740 1.00 0.00 C ATOM 803 O GLY A 52 2.402 4.807 10.924 1.00 0.00 O ATOM 0 H GLY A 52 4.675 1.641 9.893 1.00 0.00 H new ATOM 0 HA2 GLY A 52 3.077 2.355 11.425 1.00 0.00 H new ATOM 0 HA3 GLY A 52 4.307 3.172 12.369 1.00 0.00 H new ATOM 807 N GLN A 53 4.393 5.021 10.024 1.00 0.00 N ATOM 808 CA GLN A 53 4.024 6.340 9.419 1.00 0.00 C ATOM 809 C GLN A 53 4.092 6.284 7.885 1.00 0.00 C ATOM 810 O GLN A 53 3.991 7.294 7.218 1.00 0.00 O ATOM 811 CB GLN A 53 5.025 7.374 9.969 1.00 0.00 C ATOM 812 CG GLN A 53 6.265 6.687 10.559 1.00 0.00 C ATOM 813 CD GLN A 53 7.179 7.729 11.216 1.00 0.00 C ATOM 814 OE1 GLN A 53 8.375 7.532 11.300 1.00 0.00 O ATOM 815 NE2 GLN A 53 6.668 8.833 11.694 1.00 0.00 N ATOM 0 H GLN A 53 5.344 4.706 9.832 1.00 0.00 H new ATOM 0 HA GLN A 53 3.000 6.608 9.677 1.00 0.00 H new ATOM 0 HB2 GLN A 53 5.327 8.052 9.171 1.00 0.00 H new ATOM 0 HB3 GLN A 53 4.542 7.979 10.736 1.00 0.00 H new ATOM 0 HG2 GLN A 53 5.963 5.941 11.294 1.00 0.00 H new ATOM 0 HG3 GLN A 53 6.807 6.159 9.774 1.00 0.00 H new ATOM 0 HE21 GLN A 53 5.664 9.002 11.625 1.00 0.00 H new ATOM 0 HE22 GLN A 53 7.273 9.526 12.136 1.00 0.00 H new ATOM 824 N PHE A 54 4.229 5.112 7.318 1.00 0.00 N ATOM 825 CA PHE A 54 4.261 5.002 5.825 1.00 0.00 C ATOM 826 C PHE A 54 2.875 5.289 5.247 1.00 0.00 C ATOM 827 O PHE A 54 2.677 5.259 4.061 1.00 0.00 O ATOM 828 CB PHE A 54 4.695 3.560 5.516 1.00 0.00 C ATOM 829 CG PHE A 54 3.658 2.549 5.972 1.00 0.00 C ATOM 830 CD1 PHE A 54 2.639 2.899 6.868 1.00 0.00 C ATOM 831 CD2 PHE A 54 3.731 1.239 5.496 1.00 0.00 C ATOM 832 CE1 PHE A 54 1.705 1.946 7.277 1.00 0.00 C ATOM 833 CE2 PHE A 54 2.795 0.287 5.910 1.00 0.00 C ATOM 834 CZ PHE A 54 1.781 0.640 6.799 1.00 0.00 C ATOM 0 H PHE A 54 4.320 4.229 7.821 1.00 0.00 H new ATOM 0 HA PHE A 54 4.948 5.722 5.380 1.00 0.00 H new ATOM 0 HB2 PHE A 54 4.861 3.452 4.444 1.00 0.00 H new ATOM 0 HB3 PHE A 54 5.645 3.353 6.008 1.00 0.00 H new ATOM 0 HD1 PHE A 54 2.576 3.910 7.243 1.00 0.00 H new ATOM 0 HD2 PHE A 54 4.513 0.960 4.806 1.00 0.00 H new ATOM 0 HE1 PHE A 54 0.921 2.222 7.966 1.00 0.00 H new ATOM 0 HE2 PHE A 54 2.858 -0.726 5.540 1.00 0.00 H new ATOM 0 HZ PHE A 54 1.057 -0.096 7.116 1.00 0.00 H new ATOM 844 N ASP A 55 1.912 5.588 6.066 1.00 0.00 N ATOM 845 CA ASP A 55 0.563 5.896 5.526 1.00 0.00 C ATOM 846 C ASP A 55 -0.075 4.663 4.879 1.00 0.00 C ATOM 847 O ASP A 55 -1.161 4.281 5.244 1.00 0.00 O ATOM 848 CB ASP A 55 0.795 6.990 4.482 1.00 0.00 C ATOM 849 CG ASP A 55 -0.430 7.901 4.420 1.00 0.00 C ATOM 850 OD1 ASP A 55 -1.518 7.384 4.236 1.00 0.00 O ATOM 851 OD2 ASP A 55 -0.258 9.102 4.559 1.00 0.00 O ATOM 0 H ASP A 55 1.999 5.633 7.081 1.00 0.00 H new ATOM 0 HA ASP A 55 -0.121 6.212 6.314 1.00 0.00 H new ATOM 0 HB2 ASP A 55 1.681 7.571 4.739 1.00 0.00 H new ATOM 0 HB3 ASP A 55 0.979 6.543 3.505 1.00 0.00 H new ATOM 856 N ILE A 56 0.564 4.048 3.907 1.00 0.00 N ATOM 857 CA ILE A 56 -0.074 2.857 3.251 1.00 0.00 C ATOM 858 C ILE A 56 0.964 1.802 2.835 1.00 0.00 C ATOM 859 O ILE A 56 2.134 2.096 2.694 1.00 0.00 O ATOM 860 CB ILE A 56 -0.751 3.436 2.016 1.00 0.00 C ATOM 861 CG1 ILE A 56 -1.594 4.648 2.428 1.00 0.00 C ATOM 862 CG2 ILE A 56 -1.636 2.367 1.378 1.00 0.00 C ATOM 863 CD1 ILE A 56 -2.440 5.119 1.244 1.00 0.00 C ATOM 0 H ILE A 56 1.481 4.312 3.546 1.00 0.00 H new ATOM 0 HA ILE A 56 -0.761 2.347 3.927 1.00 0.00 H new ATOM 0 HB ILE A 56 -0.001 3.753 1.291 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -2.240 4.385 3.266 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -0.945 5.455 2.767 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -2.122 2.778 0.493 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -1.024 1.512 1.091 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -2.394 2.048 2.093 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -3.037 5.981 1.543 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -1.786 5.400 0.418 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -3.101 4.313 0.925 1.00 0.00 H new ATOM 875 N ALA A 57 0.542 0.569 2.624 1.00 0.00 N ATOM 876 CA ALA A 57 1.520 -0.482 2.206 1.00 0.00 C ATOM 877 C ALA A 57 0.809 -1.600 1.459 1.00 0.00 C ATOM 878 O ALA A 57 -0.269 -2.006 1.836 1.00 0.00 O ATOM 879 CB ALA A 57 2.105 -1.019 3.499 1.00 0.00 C ATOM 0 H ALA A 57 -0.423 0.255 2.723 1.00 0.00 H new ATOM 0 HA ALA A 57 2.285 -0.081 1.541 1.00 0.00 H new ATOM 0 HB1 ALA A 57 2.834 -1.797 3.273 1.00 0.00 H new ATOM 0 HB2 ALA A 57 2.595 -0.210 4.041 1.00 0.00 H new ATOM 0 HB3 ALA A 57 1.307 -1.436 4.114 1.00 0.00 H new ATOM 885 N ILE A 58 1.381 -2.120 0.410 1.00 0.00 N ATOM 886 CA ILE A 58 0.662 -3.210 -0.294 1.00 0.00 C ATOM 887 C ILE A 58 1.581 -4.359 -0.716 1.00 0.00 C ATOM 888 O ILE A 58 2.096 -4.390 -1.815 1.00 0.00 O ATOM 889 CB ILE A 58 0.052 -2.548 -1.529 1.00 0.00 C ATOM 890 CG1 ILE A 58 -1.084 -1.617 -1.100 1.00 0.00 C ATOM 891 CG2 ILE A 58 -0.501 -3.625 -2.464 1.00 0.00 C ATOM 892 CD1 ILE A 58 -0.499 -0.288 -0.623 1.00 0.00 C ATOM 0 H ILE A 58 2.284 -1.848 0.022 1.00 0.00 H new ATOM 0 HA ILE A 58 -0.080 -3.661 0.365 1.00 0.00 H new ATOM 0 HB ILE A 58 0.819 -1.973 -2.048 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -1.765 -1.449 -1.934 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -1.665 -2.078 -0.302 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -0.936 -3.153 -3.345 1.00 0.00 H new ATOM 0 HG22 ILE A 58 0.306 -4.291 -2.770 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -1.268 -4.200 -1.944 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -1.307 0.376 -0.317 1.00 0.00 H new ATOM 0 HD12 ILE A 58 0.165 -0.465 0.223 1.00 0.00 H new ATOM 0 HD13 ILE A 58 0.063 0.174 -1.434 1.00 0.00 H new ATOM 904 N ILE A 59 1.704 -5.349 0.123 1.00 0.00 N ATOM 905 CA ILE A 59 2.490 -6.558 -0.245 1.00 0.00 C ATOM 906 C ILE A 59 1.520 -7.497 -0.961 1.00 0.00 C ATOM 907 O ILE A 59 1.093 -8.504 -0.431 1.00 0.00 O ATOM 908 CB ILE A 59 2.972 -7.157 1.078 1.00 0.00 C ATOM 909 CG1 ILE A 59 3.947 -6.184 1.748 1.00 0.00 C ATOM 910 CG2 ILE A 59 3.680 -8.484 0.805 1.00 0.00 C ATOM 911 CD1 ILE A 59 3.754 -6.225 3.267 1.00 0.00 C ATOM 0 H ILE A 59 1.290 -5.372 1.055 1.00 0.00 H new ATOM 0 HA ILE A 59 3.344 -6.363 -0.893 1.00 0.00 H new ATOM 0 HB ILE A 59 2.120 -7.329 1.736 1.00 0.00 H new ATOM 0 HG12 ILE A 59 4.973 -6.450 1.495 1.00 0.00 H new ATOM 0 HG13 ILE A 59 3.779 -5.173 1.377 1.00 0.00 H new ATOM 0 HG21 ILE A 59 4.024 -8.913 1.746 1.00 0.00 H new ATOM 0 HG22 ILE A 59 2.987 -9.174 0.324 1.00 0.00 H new ATOM 0 HG23 ILE A 59 4.534 -8.313 0.150 1.00 0.00 H new ATOM 0 HD11 ILE A 59 4.449 -5.532 3.741 1.00 0.00 H new ATOM 0 HD12 ILE A 59 2.731 -5.938 3.512 1.00 0.00 H new ATOM 0 HD13 ILE A 59 3.944 -7.235 3.631 1.00 0.00 H new ATOM 923 N ASP A 60 1.119 -7.117 -2.141 1.00 0.00 N ATOM 924 CA ASP A 60 0.110 -7.911 -2.900 1.00 0.00 C ATOM 925 C ASP A 60 0.613 -9.288 -3.304 1.00 0.00 C ATOM 926 O ASP A 60 1.432 -9.888 -2.641 1.00 0.00 O ATOM 927 CB ASP A 60 -0.172 -7.074 -4.134 1.00 0.00 C ATOM 928 CG ASP A 60 1.001 -7.145 -5.115 1.00 0.00 C ATOM 929 OD1 ASP A 60 1.991 -7.781 -4.795 1.00 0.00 O ATOM 930 OD2 ASP A 60 0.880 -6.572 -6.184 1.00 0.00 O ATOM 0 H ASP A 60 1.451 -6.279 -2.619 1.00 0.00 H new ATOM 0 HA ASP A 60 -0.772 -8.102 -2.288 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -1.081 -7.428 -4.620 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -0.348 -6.038 -3.844 1.00 0.00 H new ATOM 935 N VAL A 61 0.089 -9.777 -4.399 1.00 0.00 N ATOM 936 CA VAL A 61 0.468 -11.115 -4.922 1.00 0.00 C ATOM 937 C VAL A 61 0.843 -12.069 -3.778 1.00 0.00 C ATOM 938 O VAL A 61 1.997 -12.368 -3.539 1.00 0.00 O ATOM 939 CB VAL A 61 1.633 -10.832 -5.881 1.00 0.00 C ATOM 940 CG1 VAL A 61 2.936 -10.594 -5.112 1.00 0.00 C ATOM 941 CG2 VAL A 61 1.814 -12.022 -6.826 1.00 0.00 C ATOM 0 H VAL A 61 -0.604 -9.287 -4.964 1.00 0.00 H new ATOM 0 HA VAL A 61 -0.348 -11.621 -5.437 1.00 0.00 H new ATOM 0 HB VAL A 61 1.398 -9.932 -6.449 1.00 0.00 H new ATOM 0 HG11 VAL A 61 3.744 -10.396 -5.817 1.00 0.00 H new ATOM 0 HG12 VAL A 61 2.816 -9.738 -4.448 1.00 0.00 H new ATOM 0 HG13 VAL A 61 3.177 -11.479 -4.523 1.00 0.00 H new ATOM 0 HG21 VAL A 61 2.641 -11.823 -7.508 1.00 0.00 H new ATOM 0 HG22 VAL A 61 2.031 -12.918 -6.245 1.00 0.00 H new ATOM 0 HG23 VAL A 61 0.900 -12.174 -7.399 1.00 0.00 H new ATOM 951 N ASN A 62 -0.150 -12.557 -3.077 1.00 0.00 N ATOM 952 CA ASN A 62 0.104 -13.501 -1.949 1.00 0.00 C ATOM 953 C ASN A 62 -0.589 -14.838 -2.226 1.00 0.00 C ATOM 954 O ASN A 62 -1.716 -15.058 -1.828 1.00 0.00 O ATOM 955 CB ASN A 62 -0.509 -12.828 -0.717 1.00 0.00 C ATOM 956 CG ASN A 62 0.231 -11.522 -0.410 1.00 0.00 C ATOM 957 OD1 ASN A 62 1.488 -11.396 -0.739 1.00 0.00 O flip ATOM 958 ND2 ASN A 62 -0.344 -10.603 0.141 1.00 0.00 N flip ATOM 0 H ASN A 62 -1.133 -12.339 -3.240 1.00 0.00 H new ATOM 0 HA ASN A 62 1.165 -13.707 -1.812 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -1.565 -12.624 -0.892 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -0.451 -13.499 0.140 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -1.326 -10.698 0.400 1.00 0.00 H new ATOM 0 HD22 ASN A 62 0.156 -9.737 0.345 1.00 0.00 H new ATOM 965 N LEU A 63 0.074 -15.733 -2.906 1.00 0.00 N ATOM 966 CA LEU A 63 -0.550 -17.053 -3.207 1.00 0.00 C ATOM 967 C LEU A 63 0.535 -18.123 -3.331 1.00 0.00 C ATOM 968 O LEU A 63 1.699 -17.862 -3.102 1.00 0.00 O ATOM 969 CB LEU A 63 -1.275 -16.861 -4.539 1.00 0.00 C ATOM 970 CG LEU A 63 -2.758 -17.201 -4.367 1.00 0.00 C ATOM 971 CD1 LEU A 63 -3.538 -15.926 -4.047 1.00 0.00 C ATOM 972 CD2 LEU A 63 -3.299 -17.813 -5.661 1.00 0.00 C ATOM 0 H LEU A 63 1.020 -15.608 -3.266 1.00 0.00 H new ATOM 0 HA LEU A 63 -1.233 -17.378 -2.423 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -1.164 -15.832 -4.880 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -0.831 -17.500 -5.302 1.00 0.00 H new ATOM 0 HG LEU A 63 -2.872 -17.916 -3.552 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -4.594 -16.167 -3.924 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -3.156 -15.488 -3.125 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -3.421 -15.213 -4.863 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -4.355 -18.054 -5.536 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -3.184 -17.099 -6.477 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -2.744 -18.722 -5.893 1.00 0.00 H new ATOM 984 N ASP A 64 0.168 -19.324 -3.687 1.00 0.00 N ATOM 985 CA ASP A 64 1.192 -20.400 -3.814 1.00 0.00 C ATOM 986 C ASP A 64 2.157 -20.338 -2.626 1.00 0.00 C ATOM 987 O ASP A 64 3.329 -20.639 -2.744 1.00 0.00 O ATOM 988 CB ASP A 64 1.920 -20.097 -5.125 1.00 0.00 C ATOM 989 CG ASP A 64 2.269 -21.408 -5.833 1.00 0.00 C ATOM 990 OD1 ASP A 64 1.679 -22.420 -5.491 1.00 0.00 O ATOM 991 OD2 ASP A 64 3.119 -21.377 -6.708 1.00 0.00 O ATOM 0 H ASP A 64 -0.790 -19.606 -3.894 1.00 0.00 H new ATOM 0 HA ASP A 64 0.756 -21.399 -3.818 1.00 0.00 H new ATOM 0 HB2 ASP A 64 1.291 -19.481 -5.768 1.00 0.00 H new ATOM 0 HB3 ASP A 64 2.827 -19.527 -4.926 1.00 0.00 H new ATOM 996 N GLY A 65 1.667 -19.941 -1.481 1.00 0.00 N ATOM 997 CA GLY A 65 2.542 -19.846 -0.278 1.00 0.00 C ATOM 998 C GLY A 65 2.315 -18.498 0.403 1.00 0.00 C ATOM 999 O GLY A 65 2.698 -18.286 1.537 1.00 0.00 O ATOM 0 H GLY A 65 0.694 -19.678 -1.328 1.00 0.00 H new ATOM 0 HA2 GLY A 65 2.319 -20.658 0.414 1.00 0.00 H new ATOM 0 HA3 GLY A 65 3.588 -19.950 -0.565 1.00 0.00 H new ATOM 1003 N GLU A 66 1.695 -17.585 -0.287 1.00 0.00 N ATOM 1004 CA GLU A 66 1.437 -16.244 0.302 1.00 0.00 C ATOM 1005 C GLU A 66 2.740 -15.625 0.807 1.00 0.00 C ATOM 1006 O GLU A 66 2.949 -15.510 1.998 1.00 0.00 O ATOM 1007 CB GLU A 66 0.480 -16.487 1.468 1.00 0.00 C ATOM 1008 CG GLU A 66 -0.956 -16.572 0.950 1.00 0.00 C ATOM 1009 CD GLU A 66 -1.924 -16.589 2.135 1.00 0.00 C ATOM 1010 OE1 GLU A 66 -2.274 -15.518 2.603 1.00 0.00 O ATOM 1011 OE2 GLU A 66 -2.297 -17.672 2.556 1.00 0.00 O ATOM 0 H GLU A 66 1.354 -17.711 -1.240 1.00 0.00 H new ATOM 0 HA GLU A 66 1.017 -15.555 -0.431 1.00 0.00 H new ATOM 0 HB2 GLU A 66 0.746 -17.410 1.982 1.00 0.00 H new ATOM 0 HB3 GLU A 66 0.567 -15.680 2.196 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -1.172 -15.722 0.302 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -1.085 -17.472 0.348 1.00 0.00 H new ATOM 1018 N PRO A 67 3.573 -15.237 -0.118 1.00 0.00 N ATOM 1019 CA PRO A 67 4.870 -14.611 0.240 1.00 0.00 C ATOM 1020 C PRO A 67 4.651 -13.202 0.807 1.00 0.00 C ATOM 1021 O PRO A 67 5.254 -12.243 0.366 1.00 0.00 O ATOM 1022 CB PRO A 67 5.619 -14.560 -1.089 1.00 0.00 C ATOM 1023 CG PRO A 67 4.551 -14.568 -2.135 1.00 0.00 C ATOM 1024 CD PRO A 67 3.393 -15.346 -1.568 1.00 0.00 C ATOM 0 HA PRO A 67 5.415 -15.159 1.009 1.00 0.00 H new ATOM 0 HB2 PRO A 67 6.235 -13.664 -1.161 1.00 0.00 H new ATOM 0 HB3 PRO A 67 6.286 -15.415 -1.199 1.00 0.00 H new ATOM 0 HG2 PRO A 67 4.248 -13.551 -2.386 1.00 0.00 H new ATOM 0 HG3 PRO A 67 4.913 -15.029 -3.054 1.00 0.00 H new ATOM 0 HD2 PRO A 67 2.437 -14.928 -1.885 1.00 0.00 H new ATOM 0 HD3 PRO A 67 3.411 -16.385 -1.896 1.00 0.00 H new ATOM 1032 N SER A 68 3.802 -13.075 1.792 1.00 0.00 N ATOM 1033 CA SER A 68 3.551 -11.738 2.401 1.00 0.00 C ATOM 1034 C SER A 68 4.266 -11.657 3.750 1.00 0.00 C ATOM 1035 O SER A 68 3.984 -10.800 4.564 1.00 0.00 O ATOM 1036 CB SER A 68 2.037 -11.670 2.593 1.00 0.00 C ATOM 1037 OG SER A 68 1.514 -10.596 1.822 1.00 0.00 O ATOM 0 H SER A 68 3.270 -13.843 2.202 1.00 0.00 H new ATOM 0 HA SER A 68 3.916 -10.916 1.785 1.00 0.00 H new ATOM 0 HB2 SER A 68 1.577 -12.610 2.287 1.00 0.00 H new ATOM 0 HB3 SER A 68 1.798 -11.526 3.647 1.00 0.00 H new ATOM 0 HG SER A 68 0.804 -10.146 2.327 1.00 0.00 H new ATOM 1043 N TYR A 69 5.190 -12.552 3.977 1.00 0.00 N ATOM 1044 CA TYR A 69 5.954 -12.575 5.259 1.00 0.00 C ATOM 1045 C TYR A 69 5.012 -12.429 6.451 1.00 0.00 C ATOM 1046 O TYR A 69 3.822 -12.236 6.299 1.00 0.00 O ATOM 1047 CB TYR A 69 6.951 -11.398 5.226 1.00 0.00 C ATOM 1048 CG TYR A 69 6.879 -10.631 3.920 1.00 0.00 C ATOM 1049 CD1 TYR A 69 7.663 -11.030 2.834 1.00 0.00 C ATOM 1050 CD2 TYR A 69 6.037 -9.518 3.802 1.00 0.00 C ATOM 1051 CE1 TYR A 69 7.605 -10.316 1.631 1.00 0.00 C ATOM 1052 CE2 TYR A 69 5.980 -8.806 2.603 1.00 0.00 C ATOM 1053 CZ TYR A 69 6.763 -9.205 1.515 1.00 0.00 C ATOM 1054 OH TYR A 69 6.708 -8.501 0.329 1.00 0.00 O ATOM 0 H TYR A 69 5.453 -13.282 3.315 1.00 0.00 H new ATOM 0 HA TYR A 69 6.479 -13.524 5.367 1.00 0.00 H new ATOM 0 HB2 TYR A 69 6.742 -10.722 6.056 1.00 0.00 H new ATOM 0 HB3 TYR A 69 7.963 -11.776 5.370 1.00 0.00 H new ATOM 0 HD1 TYR A 69 8.313 -11.888 2.923 1.00 0.00 H new ATOM 0 HD2 TYR A 69 5.430 -9.210 4.641 1.00 0.00 H new ATOM 0 HE1 TYR A 69 8.211 -10.623 0.792 1.00 0.00 H new ATOM 0 HE2 TYR A 69 5.331 -7.947 2.515 1.00 0.00 H new ATOM 0 HH TYR A 69 6.892 -9.106 -0.419 1.00 0.00 H new ATOM 1064 N PRO A 70 5.589 -12.526 7.611 1.00 0.00 N ATOM 1065 CA PRO A 70 4.810 -12.395 8.853 1.00 0.00 C ATOM 1066 C PRO A 70 4.497 -10.922 9.110 1.00 0.00 C ATOM 1067 O PRO A 70 3.777 -10.583 10.023 1.00 0.00 O ATOM 1068 CB PRO A 70 5.741 -12.947 9.923 1.00 0.00 C ATOM 1069 CG PRO A 70 7.121 -12.769 9.372 1.00 0.00 C ATOM 1070 CD PRO A 70 7.010 -12.772 7.867 1.00 0.00 C ATOM 0 HA PRO A 70 3.854 -12.918 8.825 1.00 0.00 H new ATOM 0 HB2 PRO A 70 5.621 -12.411 10.864 1.00 0.00 H new ATOM 0 HB3 PRO A 70 5.530 -13.997 10.125 1.00 0.00 H new ATOM 0 HG2 PRO A 70 7.557 -11.833 9.723 1.00 0.00 H new ATOM 0 HG3 PRO A 70 7.776 -13.572 9.710 1.00 0.00 H new ATOM 0 HD2 PRO A 70 7.635 -11.999 7.420 1.00 0.00 H new ATOM 0 HD3 PRO A 70 7.331 -13.725 7.446 1.00 0.00 H new ATOM 1078 N VAL A 71 5.023 -10.037 8.305 1.00 0.00 N ATOM 1079 CA VAL A 71 4.728 -8.594 8.525 1.00 0.00 C ATOM 1080 C VAL A 71 3.451 -8.207 7.773 1.00 0.00 C ATOM 1081 O VAL A 71 2.522 -7.680 8.352 1.00 0.00 O ATOM 1082 CB VAL A 71 5.948 -7.804 8.026 1.00 0.00 C ATOM 1083 CG1 VAL A 71 7.183 -8.209 8.830 1.00 0.00 C ATOM 1084 CG2 VAL A 71 6.200 -8.084 6.545 1.00 0.00 C ATOM 0 H VAL A 71 5.635 -10.247 7.517 1.00 0.00 H new ATOM 0 HA VAL A 71 4.555 -8.373 9.578 1.00 0.00 H new ATOM 0 HB VAL A 71 5.750 -6.740 8.157 1.00 0.00 H new ATOM 0 HG11 VAL A 71 8.048 -7.648 8.476 1.00 0.00 H new ATOM 0 HG12 VAL A 71 7.017 -7.992 9.885 1.00 0.00 H new ATOM 0 HG13 VAL A 71 7.366 -9.276 8.703 1.00 0.00 H new ATOM 0 HG21 VAL A 71 7.068 -7.516 6.210 1.00 0.00 H new ATOM 0 HG22 VAL A 71 6.386 -9.148 6.403 1.00 0.00 H new ATOM 0 HG23 VAL A 71 5.326 -7.788 5.965 1.00 0.00 H new ATOM 1094 N ALA A 72 3.373 -8.486 6.498 1.00 0.00 N ATOM 1095 CA ALA A 72 2.132 -8.155 5.748 1.00 0.00 C ATOM 1096 C ALA A 72 0.949 -8.849 6.409 1.00 0.00 C ATOM 1097 O ALA A 72 -0.056 -8.238 6.711 1.00 0.00 O ATOM 1098 CB ALA A 72 2.353 -8.726 4.360 1.00 0.00 C ATOM 0 H ALA A 72 4.112 -8.926 5.949 1.00 0.00 H new ATOM 0 HA ALA A 72 1.926 -7.085 5.724 1.00 0.00 H new ATOM 0 HB1 ALA A 72 1.479 -8.524 3.740 1.00 0.00 H new ATOM 0 HB2 ALA A 72 3.231 -8.262 3.911 1.00 0.00 H new ATOM 0 HB3 ALA A 72 2.507 -9.803 4.430 1.00 0.00 H new ATOM 1104 N ASP A 73 1.067 -10.127 6.648 1.00 0.00 N ATOM 1105 CA ASP A 73 -0.050 -10.855 7.301 1.00 0.00 C ATOM 1106 C ASP A 73 -0.379 -10.195 8.635 1.00 0.00 C ATOM 1107 O ASP A 73 -1.505 -9.834 8.905 1.00 0.00 O ATOM 1108 CB ASP A 73 0.474 -12.265 7.526 1.00 0.00 C ATOM 1109 CG ASP A 73 0.116 -13.148 6.330 1.00 0.00 C ATOM 1110 OD1 ASP A 73 0.868 -13.141 5.369 1.00 0.00 O ATOM 1111 OD2 ASP A 73 -0.904 -13.815 6.393 1.00 0.00 O ATOM 0 H ASP A 73 1.885 -10.693 6.420 1.00 0.00 H new ATOM 0 HA ASP A 73 -0.959 -10.851 6.699 1.00 0.00 H new ATOM 0 HB2 ASP A 73 1.555 -12.243 7.663 1.00 0.00 H new ATOM 0 HB3 ASP A 73 0.045 -12.681 8.438 1.00 0.00 H new ATOM 1116 N ILE A 74 0.608 -10.024 9.465 1.00 0.00 N ATOM 1117 CA ILE A 74 0.363 -9.369 10.781 1.00 0.00 C ATOM 1118 C ILE A 74 -0.261 -8.002 10.537 1.00 0.00 C ATOM 1119 O ILE A 74 -1.232 -7.622 11.161 1.00 0.00 O ATOM 1120 CB ILE A 74 1.740 -9.221 11.424 1.00 0.00 C ATOM 1121 CG1 ILE A 74 2.178 -10.572 11.997 1.00 0.00 C ATOM 1122 CG2 ILE A 74 1.671 -8.190 12.554 1.00 0.00 C ATOM 1123 CD1 ILE A 74 3.568 -10.440 12.621 1.00 0.00 C ATOM 0 H ILE A 74 1.572 -10.308 9.292 1.00 0.00 H new ATOM 0 HA ILE A 74 -0.311 -9.939 11.420 1.00 0.00 H new ATOM 0 HB ILE A 74 2.458 -8.889 10.674 1.00 0.00 H new ATOM 0 HG12 ILE A 74 1.462 -10.909 12.747 1.00 0.00 H new ATOM 0 HG13 ILE A 74 2.192 -11.325 11.209 1.00 0.00 H new ATOM 0 HG21 ILE A 74 2.655 -8.086 13.012 1.00 0.00 H new ATOM 0 HG22 ILE A 74 1.355 -7.228 12.150 1.00 0.00 H new ATOM 0 HG23 ILE A 74 0.954 -8.521 13.306 1.00 0.00 H new ATOM 0 HD11 ILE A 74 3.877 -11.403 13.028 1.00 0.00 H new ATOM 0 HD12 ILE A 74 4.280 -10.123 11.859 1.00 0.00 H new ATOM 0 HD13 ILE A 74 3.539 -9.700 13.421 1.00 0.00 H new ATOM 1135 N LEU A 75 0.286 -7.271 9.610 1.00 0.00 N ATOM 1136 CA LEU A 75 -0.269 -5.937 9.287 1.00 0.00 C ATOM 1137 C LEU A 75 -1.738 -6.089 8.885 1.00 0.00 C ATOM 1138 O LEU A 75 -2.511 -5.160 8.967 1.00 0.00 O ATOM 1139 CB LEU A 75 0.591 -5.460 8.115 1.00 0.00 C ATOM 1140 CG LEU A 75 0.573 -3.935 8.036 1.00 0.00 C ATOM 1141 CD1 LEU A 75 1.728 -3.364 8.858 1.00 0.00 C ATOM 1142 CD2 LEU A 75 0.732 -3.514 6.577 1.00 0.00 C ATOM 0 H LEU A 75 1.100 -7.545 9.060 1.00 0.00 H new ATOM 0 HA LEU A 75 -0.246 -5.231 10.118 1.00 0.00 H new ATOM 0 HB2 LEU A 75 1.615 -5.813 8.238 1.00 0.00 H new ATOM 0 HB3 LEU A 75 0.217 -5.884 7.183 1.00 0.00 H new ATOM 0 HG LEU A 75 -0.370 -3.557 8.432 1.00 0.00 H new ATOM 0 HD11 LEU A 75 1.713 -2.276 8.800 1.00 0.00 H new ATOM 0 HD12 LEU A 75 1.622 -3.673 9.898 1.00 0.00 H new ATOM 0 HD13 LEU A 75 2.674 -3.735 8.463 1.00 0.00 H new ATOM 0 HD21 LEU A 75 0.720 -2.426 6.509 1.00 0.00 H new ATOM 0 HD22 LEU A 75 1.679 -3.892 6.190 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -0.089 -3.923 5.989 1.00 0.00 H new ATOM 1154 N ALA A 76 -2.125 -7.266 8.459 1.00 0.00 N ATOM 1155 CA ALA A 76 -3.540 -7.493 8.053 1.00 0.00 C ATOM 1156 C ALA A 76 -4.397 -7.893 9.264 1.00 0.00 C ATOM 1157 O ALA A 76 -5.385 -7.253 9.566 1.00 0.00 O ATOM 1158 CB ALA A 76 -3.487 -8.630 7.031 1.00 0.00 C ATOM 0 H ALA A 76 -1.517 -8.081 8.376 1.00 0.00 H new ATOM 0 HA ALA A 76 -3.992 -6.592 7.638 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -4.496 -8.855 6.684 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -2.871 -8.329 6.184 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -3.057 -9.517 7.496 1.00 0.00 H new ATOM 1164 N GLU A 77 -4.029 -8.944 9.958 1.00 0.00 N ATOM 1165 CA GLU A 77 -4.830 -9.374 11.150 1.00 0.00 C ATOM 1166 C GLU A 77 -5.255 -8.137 11.944 1.00 0.00 C ATOM 1167 O GLU A 77 -6.310 -8.087 12.546 1.00 0.00 O ATOM 1168 CB GLU A 77 -3.886 -10.251 11.977 1.00 0.00 C ATOM 1169 CG GLU A 77 -3.468 -11.480 11.162 1.00 0.00 C ATOM 1170 CD GLU A 77 -4.712 -12.232 10.684 1.00 0.00 C ATOM 1171 OE1 GLU A 77 -5.256 -11.850 9.661 1.00 0.00 O ATOM 1172 OE2 GLU A 77 -5.098 -13.180 11.348 1.00 0.00 O ATOM 0 H GLU A 77 -3.213 -9.520 9.753 1.00 0.00 H new ATOM 0 HA GLU A 77 -5.735 -9.916 10.876 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -3.005 -9.679 12.267 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -4.379 -10.564 12.897 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -2.866 -11.173 10.307 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -2.846 -12.137 11.770 1.00 0.00 H new ATOM 1179 N ARG A 78 -4.439 -7.127 11.903 1.00 0.00 N ATOM 1180 CA ARG A 78 -4.745 -5.848 12.588 1.00 0.00 C ATOM 1181 C ARG A 78 -4.286 -4.734 11.654 1.00 0.00 C ATOM 1182 O ARG A 78 -3.171 -4.747 11.172 1.00 0.00 O ATOM 1183 CB ARG A 78 -3.951 -5.862 13.899 1.00 0.00 C ATOM 1184 CG ARG A 78 -2.494 -6.247 13.633 1.00 0.00 C ATOM 1185 CD ARG A 78 -1.985 -7.122 14.780 1.00 0.00 C ATOM 1186 NE ARG A 78 -2.860 -8.326 14.762 1.00 0.00 N ATOM 1187 CZ ARG A 78 -2.890 -9.126 15.793 1.00 0.00 C ATOM 1188 NH1 ARG A 78 -3.520 -8.767 16.878 1.00 0.00 N ATOM 1189 NH2 ARG A 78 -2.290 -10.285 15.737 1.00 0.00 N ATOM 0 H ARG A 78 -3.547 -7.136 11.408 1.00 0.00 H new ATOM 0 HA ARG A 78 -5.801 -5.703 12.814 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -3.995 -4.880 14.369 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -4.400 -6.569 14.596 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -2.414 -6.784 12.688 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -1.880 -5.351 13.543 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -0.939 -7.392 14.636 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -2.051 -6.600 15.734 1.00 0.00 H new ATOM 0 HE ARG A 78 -3.436 -8.526 13.944 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -3.988 -7.862 16.920 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -3.544 -9.392 17.684 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -1.798 -10.564 14.888 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -2.313 -10.911 16.542 1.00 0.00 H new ATOM 1203 N ASN A 79 -5.144 -3.813 11.323 1.00 0.00 N ATOM 1204 CA ASN A 79 -4.735 -2.777 10.344 1.00 0.00 C ATOM 1205 C ASN A 79 -4.808 -1.347 10.882 1.00 0.00 C ATOM 1206 O ASN A 79 -5.813 -0.906 11.404 1.00 0.00 O ATOM 1207 CB ASN A 79 -5.730 -2.947 9.201 1.00 0.00 C ATOM 1208 CG ASN A 79 -5.310 -4.128 8.326 1.00 0.00 C ATOM 1209 OD1 ASN A 79 -4.190 -4.067 7.661 1.00 0.00 O flip ATOM 1210 ND2 ASN A 79 -6.009 -5.119 8.247 1.00 0.00 N flip ATOM 0 H ASN A 79 -6.095 -3.734 11.682 1.00 0.00 H new ATOM 0 HA ASN A 79 -3.690 -2.911 10.063 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -6.731 -3.114 9.599 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -5.772 -2.036 8.604 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -6.885 -5.168 8.767 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -5.719 -5.902 7.661 1.00 0.00 H new ATOM 1217 N VAL A 80 -3.748 -0.609 10.688 1.00 0.00 N ATOM 1218 CA VAL A 80 -3.721 0.825 11.103 1.00 0.00 C ATOM 1219 C VAL A 80 -4.121 1.649 9.861 1.00 0.00 C ATOM 1220 O VAL A 80 -4.727 1.096 8.965 1.00 0.00 O ATOM 1221 CB VAL A 80 -2.265 1.072 11.525 1.00 0.00 C ATOM 1222 CG1 VAL A 80 -1.752 -0.118 12.340 1.00 0.00 C ATOM 1223 CG2 VAL A 80 -1.387 1.238 10.279 1.00 0.00 C ATOM 0 H VAL A 80 -2.888 -0.943 10.254 1.00 0.00 H new ATOM 0 HA VAL A 80 -4.396 1.092 11.916 1.00 0.00 H new ATOM 0 HB VAL A 80 -2.221 1.977 12.130 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -0.719 0.063 12.637 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -2.369 -0.242 13.230 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -1.803 -1.023 11.734 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -0.355 1.413 10.582 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -1.439 0.333 9.674 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -1.742 2.086 9.694 1.00 0.00 H new ATOM 1233 N PRO A 81 -3.773 2.918 9.787 1.00 0.00 N ATOM 1234 CA PRO A 81 -4.136 3.679 8.568 1.00 0.00 C ATOM 1235 C PRO A 81 -3.289 3.152 7.410 1.00 0.00 C ATOM 1236 O PRO A 81 -2.076 3.130 7.479 1.00 0.00 O ATOM 1237 CB PRO A 81 -3.810 5.125 8.921 1.00 0.00 C ATOM 1238 CG PRO A 81 -2.786 5.037 10.006 1.00 0.00 C ATOM 1239 CD PRO A 81 -3.040 3.751 10.757 1.00 0.00 C ATOM 0 HA PRO A 81 -5.178 3.586 8.263 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -3.424 5.665 8.056 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -4.698 5.659 9.259 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -1.780 5.045 9.587 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -2.860 5.894 10.675 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -2.108 3.278 11.067 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -3.626 3.924 11.660 1.00 0.00 H new ATOM 1247 N PHE A 82 -3.916 2.675 6.367 1.00 0.00 N ATOM 1248 CA PHE A 82 -3.130 2.089 5.243 1.00 0.00 C ATOM 1249 C PHE A 82 -4.045 1.609 4.105 1.00 0.00 C ATOM 1250 O PHE A 82 -5.110 2.138 3.860 1.00 0.00 O ATOM 1251 CB PHE A 82 -2.439 0.874 5.888 1.00 0.00 C ATOM 1252 CG PHE A 82 -3.418 -0.283 5.934 1.00 0.00 C ATOM 1253 CD1 PHE A 82 -4.698 -0.091 6.470 1.00 0.00 C ATOM 1254 CD2 PHE A 82 -3.061 -1.530 5.409 1.00 0.00 C ATOM 1255 CE1 PHE A 82 -5.618 -1.141 6.480 1.00 0.00 C ATOM 1256 CE2 PHE A 82 -3.983 -2.583 5.424 1.00 0.00 C ATOM 1257 CZ PHE A 82 -5.261 -2.388 5.959 1.00 0.00 C ATOM 0 H PHE A 82 -4.929 2.666 6.245 1.00 0.00 H new ATOM 0 HA PHE A 82 -2.443 2.812 4.802 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -1.554 0.596 5.315 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -2.102 1.123 6.894 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -4.974 0.871 6.876 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -2.076 -1.680 4.993 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -6.606 -0.990 6.890 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -3.708 -3.547 5.022 1.00 0.00 H new ATOM 0 HZ PHE A 82 -5.972 -3.201 5.969 1.00 0.00 H new ATOM 1267 N ILE A 83 -3.616 0.568 3.449 1.00 0.00 N ATOM 1268 CA ILE A 83 -4.398 -0.049 2.349 1.00 0.00 C ATOM 1269 C ILE A 83 -3.649 -1.298 1.909 1.00 0.00 C ATOM 1270 O ILE A 83 -2.445 -1.399 2.104 1.00 0.00 O ATOM 1271 CB ILE A 83 -4.481 0.999 1.243 1.00 0.00 C ATOM 1272 CG1 ILE A 83 -5.918 1.499 1.155 1.00 0.00 C ATOM 1273 CG2 ILE A 83 -4.071 0.408 -0.116 1.00 0.00 C ATOM 1274 CD1 ILE A 83 -5.953 2.832 0.405 1.00 0.00 C ATOM 0 H ILE A 83 -2.726 0.107 3.639 1.00 0.00 H new ATOM 0 HA ILE A 83 -5.408 -0.344 2.634 1.00 0.00 H new ATOM 0 HB ILE A 83 -3.798 1.815 1.481 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -6.538 0.765 0.641 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -6.333 1.622 2.155 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -4.140 1.179 -0.884 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -3.045 0.043 -0.060 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -4.736 -0.417 -0.369 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -6.981 3.188 0.343 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -5.347 3.565 0.937 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -5.556 2.694 -0.601 1.00 0.00 H new ATOM 1286 N PHE A 84 -4.346 -2.250 1.353 1.00 0.00 N ATOM 1287 CA PHE A 84 -3.675 -3.510 0.942 1.00 0.00 C ATOM 1288 C PHE A 84 -4.452 -4.217 -0.180 1.00 0.00 C ATOM 1289 O PHE A 84 -5.660 -4.091 -0.321 1.00 0.00 O ATOM 1290 CB PHE A 84 -3.716 -4.338 2.222 1.00 0.00 C ATOM 1291 CG PHE A 84 -2.616 -5.385 2.266 1.00 0.00 C ATOM 1292 CD1 PHE A 84 -1.690 -5.508 1.223 1.00 0.00 C ATOM 1293 CD2 PHE A 84 -2.533 -6.247 3.371 1.00 0.00 C ATOM 1294 CE1 PHE A 84 -0.693 -6.488 1.286 1.00 0.00 C ATOM 1295 CE2 PHE A 84 -1.529 -7.225 3.428 1.00 0.00 C ATOM 1296 CZ PHE A 84 -0.614 -7.345 2.384 1.00 0.00 C ATOM 0 H PHE A 84 -5.348 -2.208 1.167 1.00 0.00 H new ATOM 0 HA PHE A 84 -2.671 -3.352 0.548 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -3.620 -3.677 3.083 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -4.686 -4.829 2.304 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -1.745 -4.847 0.371 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -3.244 -6.157 4.179 1.00 0.00 H new ATOM 0 HE1 PHE A 84 0.020 -6.581 0.480 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -1.465 -7.885 4.281 1.00 0.00 H new ATOM 0 HZ PHE A 84 0.156 -8.101 2.425 1.00 0.00 H new ATOM 1306 N ALA A 85 -3.764 -4.982 -0.967 1.00 0.00 N ATOM 1307 CA ALA A 85 -4.432 -5.722 -2.053 1.00 0.00 C ATOM 1308 C ALA A 85 -3.572 -6.928 -2.421 1.00 0.00 C ATOM 1309 O ALA A 85 -2.394 -6.792 -2.667 1.00 0.00 O ATOM 1310 CB ALA A 85 -4.519 -4.743 -3.219 1.00 0.00 C ATOM 0 H ALA A 85 -2.756 -5.126 -0.901 1.00 0.00 H new ATOM 0 HA ALA A 85 -5.421 -6.087 -1.776 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -5.007 -5.227 -4.065 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -5.097 -3.869 -2.918 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -3.515 -4.432 -3.508 1.00 0.00 H new ATOM 1316 N THR A 86 -4.133 -8.106 -2.448 1.00 0.00 N ATOM 1317 CA THR A 86 -3.306 -9.302 -2.788 1.00 0.00 C ATOM 1318 C THR A 86 -4.172 -10.398 -3.401 1.00 0.00 C ATOM 1319 O THR A 86 -5.214 -10.141 -3.964 1.00 0.00 O ATOM 1320 CB THR A 86 -2.690 -9.796 -1.465 1.00 0.00 C ATOM 1321 OG1 THR A 86 -3.504 -10.815 -0.908 1.00 0.00 O ATOM 1322 CG2 THR A 86 -2.554 -8.646 -0.459 1.00 0.00 C ATOM 0 H THR A 86 -5.116 -8.293 -2.252 1.00 0.00 H new ATOM 0 HA THR A 86 -2.537 -9.048 -3.517 1.00 0.00 H new ATOM 0 HB THR A 86 -1.697 -10.191 -1.678 1.00 0.00 H new ATOM 0 HG1 THR A 86 -4.164 -10.413 -0.305 1.00 0.00 H new ATOM 0 HG21 THR A 86 -2.117 -9.022 0.466 1.00 0.00 H new ATOM 0 HG22 THR A 86 -1.910 -7.872 -0.876 1.00 0.00 H new ATOM 0 HG23 THR A 86 -3.538 -8.226 -0.251 1.00 0.00 H new ATOM 1330 N GLY A 87 -3.738 -11.622 -3.298 1.00 0.00 N ATOM 1331 CA GLY A 87 -4.521 -12.745 -3.878 1.00 0.00 C ATOM 1332 C GLY A 87 -5.822 -12.937 -3.099 1.00 0.00 C ATOM 1333 O GLY A 87 -6.825 -13.348 -3.648 1.00 0.00 O ATOM 0 H GLY A 87 -2.871 -11.893 -2.835 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -4.742 -12.541 -4.926 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -3.932 -13.662 -3.849 1.00 0.00 H new ATOM 1337 N TYR A 88 -5.822 -12.656 -1.824 1.00 0.00 N ATOM 1338 CA TYR A 88 -7.073 -12.841 -1.038 1.00 0.00 C ATOM 1339 C TYR A 88 -8.156 -11.865 -1.513 1.00 0.00 C ATOM 1340 O TYR A 88 -9.334 -12.125 -1.367 1.00 0.00 O ATOM 1341 CB TYR A 88 -6.686 -12.608 0.428 1.00 0.00 C ATOM 1342 CG TYR A 88 -6.621 -11.131 0.752 1.00 0.00 C ATOM 1343 CD1 TYR A 88 -5.958 -10.245 -0.103 1.00 0.00 C ATOM 1344 CD2 TYR A 88 -7.208 -10.655 1.930 1.00 0.00 C ATOM 1345 CE1 TYR A 88 -5.883 -8.885 0.218 1.00 0.00 C ATOM 1346 CE2 TYR A 88 -7.134 -9.294 2.249 1.00 0.00 C ATOM 1347 CZ TYR A 88 -6.470 -8.410 1.392 1.00 0.00 C ATOM 1348 OH TYR A 88 -6.394 -7.070 1.706 1.00 0.00 O ATOM 0 H TYR A 88 -5.019 -12.310 -1.298 1.00 0.00 H new ATOM 0 HA TYR A 88 -7.495 -13.838 -1.167 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -7.412 -13.094 1.080 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -5.719 -13.069 0.629 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -5.503 -10.611 -1.012 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -7.718 -11.338 2.593 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -5.370 -8.202 -0.443 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -7.590 -8.927 3.157 1.00 0.00 H new ATOM 0 HH TYR A 88 -6.855 -6.906 2.555 1.00 0.00 H new ATOM 1358 N GLY A 89 -7.783 -10.757 -2.100 1.00 0.00 N ATOM 1359 CA GLY A 89 -8.820 -9.811 -2.591 1.00 0.00 C ATOM 1360 C GLY A 89 -9.627 -9.286 -1.410 1.00 0.00 C ATOM 1361 O GLY A 89 -10.821 -9.487 -1.315 1.00 0.00 O ATOM 0 H GLY A 89 -6.817 -10.472 -2.258 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -8.350 -8.983 -3.121 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -9.478 -10.312 -3.301 1.00 0.00 H new ATOM 1365 N SER A 90 -8.980 -8.604 -0.514 1.00 0.00 N ATOM 1366 CA SER A 90 -9.689 -8.042 0.667 1.00 0.00 C ATOM 1367 C SER A 90 -10.082 -9.140 1.653 1.00 0.00 C ATOM 1368 O SER A 90 -9.730 -10.293 1.503 1.00 0.00 O ATOM 1369 CB SER A 90 -10.931 -7.348 0.103 1.00 0.00 C ATOM 1370 OG SER A 90 -10.680 -6.947 -1.238 1.00 0.00 O ATOM 0 H SER A 90 -7.979 -8.409 -0.548 1.00 0.00 H new ATOM 0 HA SER A 90 -9.053 -7.352 1.222 1.00 0.00 H new ATOM 0 HB2 SER A 90 -11.786 -8.023 0.138 1.00 0.00 H new ATOM 0 HB3 SER A 90 -11.185 -6.480 0.712 1.00 0.00 H new ATOM 0 HG SER A 90 -11.475 -6.504 -1.601 1.00 0.00 H new ATOM 1376 N LYS A 91 -10.803 -8.772 2.674 1.00 0.00 N ATOM 1377 CA LYS A 91 -11.219 -9.763 3.702 1.00 0.00 C ATOM 1378 C LYS A 91 -11.946 -9.042 4.850 1.00 0.00 C ATOM 1379 O LYS A 91 -12.770 -9.618 5.532 1.00 0.00 O ATOM 1380 CB LYS A 91 -9.895 -10.408 4.157 1.00 0.00 C ATOM 1381 CG LYS A 91 -9.799 -10.475 5.687 1.00 0.00 C ATOM 1382 CD LYS A 91 -9.217 -9.165 6.226 1.00 0.00 C ATOM 1383 CE LYS A 91 -8.542 -9.416 7.579 1.00 0.00 C ATOM 1384 NZ LYS A 91 -9.597 -10.043 8.424 1.00 0.00 N ATOM 0 H LYS A 91 -11.124 -7.818 2.841 1.00 0.00 H new ATOM 0 HA LYS A 91 -11.918 -10.515 3.335 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -9.817 -11.413 3.742 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -9.056 -9.835 3.763 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -10.786 -10.649 6.116 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -9.170 -11.314 5.985 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -8.494 -8.759 5.518 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -10.008 -8.423 6.336 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -7.678 -10.073 7.474 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -8.184 -8.486 8.020 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -9.372 -9.894 9.428 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -10.518 -9.610 8.208 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -9.639 -11.063 8.226 1.00 0.00 H new ATOM 1398 N GLY A 92 -11.645 -7.788 5.065 1.00 0.00 N ATOM 1399 CA GLY A 92 -12.316 -7.035 6.161 1.00 0.00 C ATOM 1400 C GLY A 92 -11.287 -6.165 6.883 1.00 0.00 C ATOM 1401 O GLY A 92 -11.077 -6.295 8.073 1.00 0.00 O ATOM 0 H GLY A 92 -10.962 -7.254 4.527 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -13.113 -6.413 5.755 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -12.779 -7.728 6.863 1.00 0.00 H new ATOM 1405 N LEU A 93 -10.640 -5.280 6.172 1.00 0.00 N ATOM 1406 CA LEU A 93 -9.620 -4.406 6.819 1.00 0.00 C ATOM 1407 C LEU A 93 -10.293 -3.193 7.474 1.00 0.00 C ATOM 1408 O LEU A 93 -11.236 -2.631 6.954 1.00 0.00 O ATOM 1409 CB LEU A 93 -8.668 -3.994 5.673 1.00 0.00 C ATOM 1410 CG LEU A 93 -8.761 -2.486 5.375 1.00 0.00 C ATOM 1411 CD1 LEU A 93 -7.638 -2.076 4.422 1.00 0.00 C ATOM 1412 CD2 LEU A 93 -10.103 -2.169 4.715 1.00 0.00 C ATOM 0 H LEU A 93 -10.774 -5.125 5.173 1.00 0.00 H new ATOM 0 HA LEU A 93 -9.078 -4.910 7.619 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -7.643 -4.250 5.941 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -8.914 -4.559 4.774 1.00 0.00 H new ATOM 0 HG LEU A 93 -8.671 -1.938 6.313 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -7.709 -1.008 4.215 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -6.674 -2.294 4.881 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -7.730 -2.634 3.490 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -10.163 -1.101 4.507 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -10.190 -2.726 3.782 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -10.914 -2.454 5.385 1.00 0.00 H new ATOM 1424 N ASP A 94 -9.803 -2.784 8.608 1.00 0.00 N ATOM 1425 CA ASP A 94 -10.392 -1.600 9.292 1.00 0.00 C ATOM 1426 C ASP A 94 -9.417 -0.429 9.195 1.00 0.00 C ATOM 1427 O ASP A 94 -8.216 -0.616 9.192 1.00 0.00 O ATOM 1428 CB ASP A 94 -10.583 -2.030 10.746 1.00 0.00 C ATOM 1429 CG ASP A 94 -9.229 -2.404 11.353 1.00 0.00 C ATOM 1430 OD1 ASP A 94 -8.507 -1.501 11.743 1.00 0.00 O ATOM 1431 OD2 ASP A 94 -8.938 -3.587 11.421 1.00 0.00 O ATOM 0 H ASP A 94 -9.018 -3.219 9.093 1.00 0.00 H new ATOM 0 HA ASP A 94 -11.334 -1.279 8.848 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -11.038 -1.222 11.318 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -11.263 -2.880 10.798 1.00 0.00 H new ATOM 1436 N THR A 95 -9.905 0.776 9.103 1.00 0.00 N ATOM 1437 CA THR A 95 -8.963 1.924 8.996 1.00 0.00 C ATOM 1438 C THR A 95 -9.702 3.258 8.980 1.00 0.00 C ATOM 1439 O THR A 95 -10.915 3.319 8.952 1.00 0.00 O ATOM 1440 CB THR A 95 -8.257 1.710 7.659 1.00 0.00 C ATOM 1441 OG1 THR A 95 -7.388 2.800 7.402 1.00 0.00 O ATOM 1442 CG2 THR A 95 -9.293 1.606 6.538 1.00 0.00 C ATOM 0 H THR A 95 -10.897 1.014 9.097 1.00 0.00 H new ATOM 0 HA THR A 95 -8.280 1.962 9.845 1.00 0.00 H new ATOM 0 HB THR A 95 -7.679 0.787 7.701 1.00 0.00 H new ATOM 0 HG1 THR A 95 -7.713 3.302 6.625 1.00 0.00 H new ATOM 0 HG21 THR A 95 -8.785 1.453 5.586 1.00 0.00 H new ATOM 0 HG22 THR A 95 -9.958 0.764 6.734 1.00 0.00 H new ATOM 0 HG23 THR A 95 -9.876 2.526 6.495 1.00 0.00 H new ATOM 1450 N ARG A 96 -8.960 4.330 8.971 1.00 0.00 N ATOM 1451 CA ARG A 96 -9.583 5.680 8.928 1.00 0.00 C ATOM 1452 C ARG A 96 -9.902 6.040 7.480 1.00 0.00 C ATOM 1453 O ARG A 96 -10.221 7.169 7.164 1.00 0.00 O ATOM 1454 CB ARG A 96 -8.508 6.618 9.469 1.00 0.00 C ATOM 1455 CG ARG A 96 -8.312 6.360 10.965 1.00 0.00 C ATOM 1456 CD ARG A 96 -7.266 5.262 11.163 1.00 0.00 C ATOM 1457 NE ARG A 96 -6.544 5.643 12.409 1.00 0.00 N ATOM 1458 CZ ARG A 96 -6.752 4.978 13.513 1.00 0.00 C ATOM 1459 NH1 ARG A 96 -7.889 4.366 13.702 1.00 0.00 N ATOM 1460 NH2 ARG A 96 -5.824 4.930 14.430 1.00 0.00 N ATOM 0 H ARG A 96 -7.940 4.327 8.992 1.00 0.00 H new ATOM 0 HA ARG A 96 -10.509 5.738 9.501 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -7.570 6.460 8.936 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -8.798 7.655 9.303 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -7.992 7.275 11.463 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -9.257 6.063 11.420 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -7.734 4.283 11.261 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -6.586 5.206 10.313 1.00 0.00 H new ATOM 0 HE ARG A 96 -5.887 6.423 12.400 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -8.615 4.407 12.987 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -8.051 3.846 14.565 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -4.937 5.412 14.284 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -5.986 4.411 15.293 1.00 0.00 H new ATOM 1474 N TYR A 97 -9.787 5.093 6.591 1.00 0.00 N ATOM 1475 CA TYR A 97 -10.049 5.389 5.159 1.00 0.00 C ATOM 1476 C TYR A 97 -11.539 5.248 4.857 1.00 0.00 C ATOM 1477 O TYR A 97 -12.196 6.191 4.464 1.00 0.00 O ATOM 1478 CB TYR A 97 -9.234 4.340 4.402 1.00 0.00 C ATOM 1479 CG TYR A 97 -7.764 4.705 4.445 1.00 0.00 C ATOM 1480 CD1 TYR A 97 -7.241 5.429 5.529 1.00 0.00 C ATOM 1481 CD2 TYR A 97 -6.920 4.316 3.399 1.00 0.00 C ATOM 1482 CE1 TYR A 97 -5.884 5.759 5.566 1.00 0.00 C ATOM 1483 CE2 TYR A 97 -5.561 4.649 3.437 1.00 0.00 C ATOM 1484 CZ TYR A 97 -5.043 5.370 4.519 1.00 0.00 C ATOM 1485 OH TYR A 97 -3.703 5.698 4.552 1.00 0.00 O ATOM 0 H TYR A 97 -9.523 4.129 6.796 1.00 0.00 H new ATOM 0 HA TYR A 97 -9.772 6.405 4.877 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -9.387 3.357 4.846 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -9.573 4.279 3.368 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -7.890 5.732 6.337 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -7.317 3.759 2.563 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -5.485 6.314 6.402 1.00 0.00 H new ATOM 0 HE2 TYR A 97 -4.910 4.349 2.629 1.00 0.00 H new ATOM 0 HH TYR A 97 -3.585 6.623 4.249 1.00 0.00 H new ATOM 1495 N SER A 98 -12.071 4.075 5.055 1.00 0.00 N ATOM 1496 CA SER A 98 -13.526 3.839 4.797 1.00 0.00 C ATOM 1497 C SER A 98 -13.839 2.329 4.728 1.00 0.00 C ATOM 1498 O SER A 98 -14.982 1.941 4.604 1.00 0.00 O ATOM 1499 CB SER A 98 -13.828 4.520 3.458 1.00 0.00 C ATOM 1500 OG SER A 98 -14.685 5.632 3.684 1.00 0.00 O ATOM 0 H SER A 98 -11.558 3.259 5.388 1.00 0.00 H new ATOM 0 HA SER A 98 -14.142 4.244 5.600 1.00 0.00 H new ATOM 0 HB2 SER A 98 -12.902 4.849 2.986 1.00 0.00 H new ATOM 0 HB3 SER A 98 -14.300 3.814 2.775 1.00 0.00 H new ATOM 0 HG SER A 98 -14.171 6.366 4.081 1.00 0.00 H new ATOM 1506 N ASN A 99 -12.837 1.476 4.826 1.00 0.00 N ATOM 1507 CA ASN A 99 -13.075 -0.006 4.791 1.00 0.00 C ATOM 1508 C ASN A 99 -13.377 -0.487 3.370 1.00 0.00 C ATOM 1509 O ASN A 99 -13.952 -1.541 3.175 1.00 0.00 O ATOM 1510 CB ASN A 99 -14.279 -0.255 5.709 1.00 0.00 C ATOM 1511 CG ASN A 99 -14.180 0.642 6.944 1.00 0.00 C ATOM 1512 OD1 ASN A 99 -13.011 1.084 7.315 1.00 0.00 O flip ATOM 1513 ND2 ASN A 99 -15.174 0.945 7.573 1.00 0.00 N flip ATOM 0 H ASN A 99 -11.859 1.748 4.929 1.00 0.00 H new ATOM 0 HA ASN A 99 -12.192 -0.553 5.120 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -15.206 -0.051 5.173 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -14.309 -1.302 6.010 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -16.088 0.598 7.281 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -15.095 1.546 8.393 1.00 0.00 H new ATOM 1520 N ILE A 100 -13.027 0.277 2.375 1.00 0.00 N ATOM 1521 CA ILE A 100 -13.345 -0.166 0.975 1.00 0.00 C ATOM 1522 C ILE A 100 -12.128 -0.260 0.014 1.00 0.00 C ATOM 1523 O ILE A 100 -12.267 -0.856 -1.035 1.00 0.00 O ATOM 1524 CB ILE A 100 -14.368 0.842 0.413 1.00 0.00 C ATOM 1525 CG1 ILE A 100 -14.401 2.141 1.234 1.00 0.00 C ATOM 1526 CG2 ILE A 100 -15.759 0.209 0.436 1.00 0.00 C ATOM 1527 CD1 ILE A 100 -13.151 2.973 0.943 1.00 0.00 C ATOM 0 H ILE A 100 -12.544 1.172 2.458 1.00 0.00 H new ATOM 0 HA ILE A 100 -13.726 -1.186 1.034 1.00 0.00 H new ATOM 0 HB ILE A 100 -14.069 1.090 -0.605 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -15.295 2.714 0.988 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -14.454 1.908 2.297 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -16.487 0.917 0.040 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -15.759 -0.693 -0.177 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -16.024 -0.049 1.461 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -13.181 3.892 1.528 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -12.263 2.401 1.211 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -13.117 3.220 -0.118 1.00 0.00 H new ATOM 1539 N PRO A 101 -10.988 0.324 0.331 1.00 0.00 N ATOM 1540 CA PRO A 101 -9.851 0.247 -0.624 1.00 0.00 C ATOM 1541 C PRO A 101 -9.108 -1.094 -0.504 1.00 0.00 C ATOM 1542 O PRO A 101 -8.130 -1.200 0.205 1.00 0.00 O ATOM 1543 CB PRO A 101 -8.945 1.385 -0.187 1.00 0.00 C ATOM 1544 CG PRO A 101 -9.231 1.577 1.269 1.00 0.00 C ATOM 1545 CD PRO A 101 -10.632 1.085 1.533 1.00 0.00 C ATOM 0 HA PRO A 101 -10.175 0.320 -1.662 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -7.896 1.139 -0.353 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -9.153 2.293 -0.752 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -8.512 1.026 1.875 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -9.138 2.628 1.541 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -10.671 0.459 2.425 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -11.320 1.915 1.695 1.00 0.00 H new ATOM 1553 N LEU A 102 -9.558 -2.110 -1.196 1.00 0.00 N ATOM 1554 CA LEU A 102 -8.871 -3.440 -1.121 1.00 0.00 C ATOM 1555 C LEU A 102 -8.996 -4.173 -2.465 1.00 0.00 C ATOM 1556 O LEU A 102 -10.012 -4.085 -3.124 1.00 0.00 O ATOM 1557 CB LEU A 102 -9.631 -4.202 -0.030 1.00 0.00 C ATOM 1558 CG LEU A 102 -8.699 -4.555 1.137 1.00 0.00 C ATOM 1559 CD1 LEU A 102 -7.937 -3.313 1.594 1.00 0.00 C ATOM 1560 CD2 LEU A 102 -9.534 -5.075 2.309 1.00 0.00 C ATOM 0 H LEU A 102 -10.372 -2.078 -1.810 1.00 0.00 H new ATOM 0 HA LEU A 102 -7.807 -3.351 -0.902 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -10.461 -3.596 0.332 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -10.060 -5.113 -0.448 1.00 0.00 H new ATOM 0 HG LEU A 102 -7.992 -5.316 0.807 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -7.279 -3.574 2.422 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -7.343 -2.926 0.766 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -8.645 -2.551 1.920 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -8.876 -5.327 3.141 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -10.238 -4.305 2.624 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -10.083 -5.964 1.998 1.00 0.00 H new ATOM 1572 N LEU A 103 -7.987 -4.902 -2.888 1.00 0.00 N ATOM 1573 CA LEU A 103 -8.126 -5.617 -4.204 1.00 0.00 C ATOM 1574 C LEU A 103 -6.906 -6.491 -4.540 1.00 0.00 C ATOM 1575 O LEU A 103 -6.037 -6.713 -3.728 1.00 0.00 O ATOM 1576 CB LEU A 103 -8.294 -4.509 -5.252 1.00 0.00 C ATOM 1577 CG LEU A 103 -7.350 -3.334 -4.962 1.00 0.00 C ATOM 1578 CD1 LEU A 103 -5.974 -3.618 -5.561 1.00 0.00 C ATOM 1579 CD2 LEU A 103 -7.920 -2.068 -5.599 1.00 0.00 C ATOM 0 H LEU A 103 -7.101 -5.032 -2.400 1.00 0.00 H new ATOM 0 HA LEU A 103 -8.972 -6.303 -4.175 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -8.090 -4.908 -6.245 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -9.326 -4.159 -5.255 1.00 0.00 H new ATOM 0 HG LEU A 103 -7.256 -3.202 -3.884 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -5.307 -2.781 -5.353 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -5.565 -4.527 -5.119 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -6.066 -3.749 -6.639 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -7.255 -1.228 -5.398 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -8.008 -2.211 -6.676 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -8.904 -1.861 -5.179 1.00 0.00 H new ATOM 1591 N THR A 104 -6.855 -7.002 -5.749 1.00 0.00 N ATOM 1592 CA THR A 104 -5.713 -7.865 -6.169 1.00 0.00 C ATOM 1593 C THR A 104 -5.004 -7.254 -7.391 1.00 0.00 C ATOM 1594 O THR A 104 -4.340 -7.938 -8.143 1.00 0.00 O ATOM 1595 CB THR A 104 -6.320 -9.233 -6.525 1.00 0.00 C ATOM 1596 OG1 THR A 104 -5.482 -9.879 -7.471 1.00 0.00 O ATOM 1597 CG2 THR A 104 -7.721 -9.064 -7.122 1.00 0.00 C ATOM 0 H THR A 104 -7.565 -6.854 -6.466 1.00 0.00 H new ATOM 0 HA THR A 104 -4.969 -7.957 -5.378 1.00 0.00 H new ATOM 0 HB THR A 104 -6.398 -9.832 -5.618 1.00 0.00 H new ATOM 0 HG1 THR A 104 -4.598 -9.457 -7.467 1.00 0.00 H new ATOM 0 HG21 THR A 104 -8.133 -10.043 -7.367 1.00 0.00 H new ATOM 0 HG22 THR A 104 -8.368 -8.569 -6.398 1.00 0.00 H new ATOM 0 HG23 THR A 104 -7.660 -8.459 -8.027 1.00 0.00 H new ATOM 1605 N LYS A 105 -5.132 -5.967 -7.570 1.00 0.00 N ATOM 1606 CA LYS A 105 -4.464 -5.265 -8.715 1.00 0.00 C ATOM 1607 C LYS A 105 -4.927 -5.771 -10.084 1.00 0.00 C ATOM 1608 O LYS A 105 -4.133 -5.869 -10.998 1.00 0.00 O ATOM 1609 CB LYS A 105 -2.970 -5.515 -8.536 1.00 0.00 C ATOM 1610 CG LYS A 105 -2.435 -4.550 -7.487 1.00 0.00 C ATOM 1611 CD LYS A 105 -1.665 -5.348 -6.446 1.00 0.00 C ATOM 1612 CE LYS A 105 -2.622 -6.309 -5.741 1.00 0.00 C ATOM 1613 NZ LYS A 105 -2.259 -7.669 -6.251 1.00 0.00 N ATOM 0 H LYS A 105 -5.680 -5.358 -6.963 1.00 0.00 H new ATOM 0 HA LYS A 105 -4.719 -4.205 -8.700 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -2.794 -6.545 -8.226 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -2.447 -5.373 -9.482 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -1.786 -3.807 -7.951 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -3.256 -4.007 -7.018 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -0.857 -5.904 -6.921 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -1.206 -4.676 -5.721 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -2.511 -6.252 -4.658 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -3.660 -6.068 -5.968 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -2.315 -8.358 -5.474 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -2.920 -7.945 -7.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -1.290 -7.651 -6.629 1.00 0.00 H new ATOM 1627 N PRO A 106 -6.200 -6.027 -10.210 1.00 0.00 N ATOM 1628 CA PRO A 106 -6.743 -6.457 -11.514 1.00 0.00 C ATOM 1629 C PRO A 106 -6.865 -5.229 -12.424 1.00 0.00 C ATOM 1630 O PRO A 106 -7.302 -5.319 -13.553 1.00 0.00 O ATOM 1631 CB PRO A 106 -8.118 -7.019 -11.166 1.00 0.00 C ATOM 1632 CG PRO A 106 -8.509 -6.335 -9.893 1.00 0.00 C ATOM 1633 CD PRO A 106 -7.236 -5.950 -9.176 1.00 0.00 C ATOM 0 HA PRO A 106 -6.125 -7.187 -12.036 1.00 0.00 H new ATOM 0 HB2 PRO A 106 -8.838 -6.818 -11.959 1.00 0.00 H new ATOM 0 HB3 PRO A 106 -8.080 -8.101 -11.037 1.00 0.00 H new ATOM 0 HG2 PRO A 106 -9.114 -5.452 -10.102 1.00 0.00 H new ATOM 0 HG3 PRO A 106 -9.114 -6.996 -9.272 1.00 0.00 H new ATOM 0 HD2 PRO A 106 -7.304 -4.947 -8.755 1.00 0.00 H new ATOM 0 HD3 PRO A 106 -7.024 -6.628 -8.350 1.00 0.00 H new ATOM 1641 N PHE A 107 -6.488 -4.076 -11.921 1.00 0.00 N ATOM 1642 CA PHE A 107 -6.584 -2.825 -12.724 1.00 0.00 C ATOM 1643 C PHE A 107 -7.938 -2.761 -13.428 1.00 0.00 C ATOM 1644 O PHE A 107 -8.082 -2.194 -14.493 1.00 0.00 O ATOM 1645 CB PHE A 107 -5.422 -2.883 -13.713 1.00 0.00 C ATOM 1646 CG PHE A 107 -4.203 -2.287 -13.047 1.00 0.00 C ATOM 1647 CD1 PHE A 107 -3.705 -2.855 -11.867 1.00 0.00 C ATOM 1648 CD2 PHE A 107 -3.582 -1.158 -13.595 1.00 0.00 C ATOM 1649 CE1 PHE A 107 -2.586 -2.298 -11.237 1.00 0.00 C ATOM 1650 CE2 PHE A 107 -2.459 -0.601 -12.966 1.00 0.00 C ATOM 1651 CZ PHE A 107 -1.962 -1.170 -11.785 1.00 0.00 C ATOM 0 H PHE A 107 -6.115 -3.953 -10.980 1.00 0.00 H new ATOM 0 HA PHE A 107 -6.518 -1.926 -12.111 1.00 0.00 H new ATOM 0 HB2 PHE A 107 -5.227 -3.913 -14.010 1.00 0.00 H new ATOM 0 HB3 PHE A 107 -5.667 -2.331 -14.620 1.00 0.00 H new ATOM 0 HD1 PHE A 107 -4.185 -3.724 -11.443 1.00 0.00 H new ATOM 0 HD2 PHE A 107 -3.968 -0.716 -14.502 1.00 0.00 H new ATOM 0 HE1 PHE A 107 -2.204 -2.738 -10.328 1.00 0.00 H new ATOM 0 HE2 PHE A 107 -1.977 0.267 -13.392 1.00 0.00 H new ATOM 0 HZ PHE A 107 -1.099 -0.739 -11.298 1.00 0.00 H new ATOM 1661 N LEU A 108 -8.934 -3.329 -12.806 1.00 0.00 N ATOM 1662 CA LEU A 108 -10.310 -3.311 -13.374 1.00 0.00 C ATOM 1663 C LEU A 108 -11.307 -3.132 -12.223 1.00 0.00 C ATOM 1664 O LEU A 108 -11.592 -4.060 -11.495 1.00 0.00 O ATOM 1665 CB LEU A 108 -10.491 -4.680 -14.038 1.00 0.00 C ATOM 1666 CG LEU A 108 -10.391 -4.546 -15.561 1.00 0.00 C ATOM 1667 CD1 LEU A 108 -11.284 -3.403 -16.042 1.00 0.00 C ATOM 1668 CD2 LEU A 108 -8.944 -4.257 -15.958 1.00 0.00 C ATOM 0 H LEU A 108 -8.850 -3.813 -11.912 1.00 0.00 H new ATOM 0 HA LEU A 108 -10.470 -2.504 -14.089 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -9.730 -5.372 -13.676 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -11.459 -5.100 -13.765 1.00 0.00 H new ATOM 0 HG LEU A 108 -10.717 -5.479 -16.021 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -11.208 -3.313 -17.126 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -12.318 -3.609 -15.766 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -10.963 -2.471 -15.577 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -8.876 -4.162 -17.042 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -8.617 -3.328 -15.491 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -8.305 -5.075 -15.625 1.00 0.00 H new ATOM 1680 N ASP A 109 -11.808 -1.936 -12.035 1.00 0.00 N ATOM 1681 CA ASP A 109 -12.763 -1.677 -10.910 1.00 0.00 C ATOM 1682 C ASP A 109 -12.068 -1.911 -9.564 1.00 0.00 C ATOM 1683 O ASP A 109 -12.696 -1.929 -8.523 1.00 0.00 O ATOM 1684 CB ASP A 109 -13.926 -2.655 -11.096 1.00 0.00 C ATOM 1685 CG ASP A 109 -14.893 -2.526 -9.914 1.00 0.00 C ATOM 1686 OD1 ASP A 109 -15.362 -1.425 -9.673 1.00 0.00 O ATOM 1687 OD2 ASP A 109 -15.146 -3.530 -9.269 1.00 0.00 O ATOM 0 H ASP A 109 -11.596 -1.124 -12.614 1.00 0.00 H new ATOM 0 HA ASP A 109 -13.117 -0.646 -10.916 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -14.446 -2.445 -12.030 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -13.550 -3.676 -11.163 1.00 0.00 H new ATOM 1692 N SER A 110 -10.775 -2.101 -9.580 1.00 0.00 N ATOM 1693 CA SER A 110 -10.033 -2.346 -8.310 1.00 0.00 C ATOM 1694 C SER A 110 -9.214 -1.116 -7.906 1.00 0.00 C ATOM 1695 O SER A 110 -9.596 -0.381 -7.024 1.00 0.00 O ATOM 1696 CB SER A 110 -9.108 -3.514 -8.627 1.00 0.00 C ATOM 1697 OG SER A 110 -9.581 -4.686 -7.974 1.00 0.00 O ATOM 0 H SER A 110 -10.199 -2.097 -10.422 1.00 0.00 H new ATOM 0 HA SER A 110 -10.706 -2.555 -7.478 1.00 0.00 H new ATOM 0 HB2 SER A 110 -9.067 -3.677 -9.704 1.00 0.00 H new ATOM 0 HB3 SER A 110 -8.093 -3.287 -8.300 1.00 0.00 H new ATOM 0 HG SER A 110 -10.414 -4.983 -8.397 1.00 0.00 H new ATOM 1703 N GLU A 111 -8.085 -0.903 -8.536 1.00 0.00 N ATOM 1704 CA GLU A 111 -7.221 0.268 -8.182 1.00 0.00 C ATOM 1705 C GLU A 111 -8.076 1.459 -7.749 1.00 0.00 C ATOM 1706 O GLU A 111 -7.764 2.150 -6.799 1.00 0.00 O ATOM 1707 CB GLU A 111 -6.457 0.594 -9.464 1.00 0.00 C ATOM 1708 CG GLU A 111 -4.984 0.835 -9.133 1.00 0.00 C ATOM 1709 CD GLU A 111 -4.258 1.337 -10.381 1.00 0.00 C ATOM 1710 OE1 GLU A 111 -4.932 1.640 -11.351 1.00 0.00 O ATOM 1711 OE2 GLU A 111 -3.042 1.410 -10.345 1.00 0.00 O ATOM 0 H GLU A 111 -7.722 -1.493 -9.285 1.00 0.00 H new ATOM 0 HA GLU A 111 -6.553 0.047 -7.350 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -6.551 -0.227 -10.175 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -6.883 1.478 -9.939 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -4.896 1.566 -8.329 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -4.524 -0.087 -8.778 1.00 0.00 H new ATOM 1718 N LEU A 112 -9.155 1.696 -8.433 1.00 0.00 N ATOM 1719 CA LEU A 112 -10.036 2.839 -8.051 1.00 0.00 C ATOM 1720 C LEU A 112 -10.259 2.859 -6.532 1.00 0.00 C ATOM 1721 O LEU A 112 -9.798 3.748 -5.846 1.00 0.00 O ATOM 1722 CB LEU A 112 -11.370 2.635 -8.791 1.00 0.00 C ATOM 1723 CG LEU A 112 -11.644 1.152 -9.048 1.00 0.00 C ATOM 1724 CD1 LEU A 112 -13.120 0.847 -8.768 1.00 0.00 C ATOM 1725 CD2 LEU A 112 -11.319 0.843 -10.512 1.00 0.00 C ATOM 0 H LEU A 112 -9.468 1.153 -9.238 1.00 0.00 H new ATOM 0 HA LEU A 112 -9.582 3.792 -8.323 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -12.183 3.060 -8.203 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -11.348 3.172 -9.739 1.00 0.00 H new ATOM 0 HG LEU A 112 -11.026 0.537 -8.393 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -13.314 -0.210 -8.951 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -13.350 1.083 -7.729 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -13.747 1.450 -9.424 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -11.509 -0.211 -10.712 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -11.946 1.454 -11.161 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -10.270 1.066 -10.707 1.00 0.00 H new ATOM 1737 N GLU A 113 -10.965 1.895 -5.998 1.00 0.00 N ATOM 1738 CA GLU A 113 -11.213 1.888 -4.522 1.00 0.00 C ATOM 1739 C GLU A 113 -9.933 2.241 -3.761 1.00 0.00 C ATOM 1740 O GLU A 113 -9.975 2.836 -2.703 1.00 0.00 O ATOM 1741 CB GLU A 113 -11.675 0.468 -4.178 1.00 0.00 C ATOM 1742 CG GLU A 113 -10.479 -0.485 -4.141 1.00 0.00 C ATOM 1743 CD GLU A 113 -10.985 -1.928 -4.088 1.00 0.00 C ATOM 1744 OE1 GLU A 113 -11.535 -2.304 -3.065 1.00 0.00 O ATOM 1745 OE2 GLU A 113 -10.816 -2.633 -5.069 1.00 0.00 O ATOM 0 H GLU A 113 -11.378 1.118 -6.514 1.00 0.00 H new ATOM 0 HA GLU A 113 -11.962 2.627 -4.239 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -12.180 0.467 -3.212 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -12.399 0.125 -4.917 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -9.855 -0.338 -5.022 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -9.857 -0.273 -3.271 1.00 0.00 H new ATOM 1752 N ALA A 114 -8.796 1.883 -4.289 1.00 0.00 N ATOM 1753 CA ALA A 114 -7.521 2.206 -3.588 1.00 0.00 C ATOM 1754 C ALA A 114 -7.414 3.716 -3.356 1.00 0.00 C ATOM 1755 O ALA A 114 -7.104 4.166 -2.271 1.00 0.00 O ATOM 1756 CB ALA A 114 -6.416 1.732 -4.530 1.00 0.00 C ATOM 0 H ALA A 114 -8.694 1.383 -5.172 1.00 0.00 H new ATOM 0 HA ALA A 114 -7.456 1.727 -2.611 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -5.444 1.936 -4.082 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -6.519 0.660 -4.701 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -6.496 2.261 -5.480 1.00 0.00 H new ATOM 1762 N VAL A 115 -7.669 4.502 -4.368 1.00 0.00 N ATOM 1763 CA VAL A 115 -7.580 5.982 -4.202 1.00 0.00 C ATOM 1764 C VAL A 115 -8.982 6.593 -4.121 1.00 0.00 C ATOM 1765 O VAL A 115 -9.180 7.638 -3.534 1.00 0.00 O ATOM 1766 CB VAL A 115 -6.850 6.480 -5.451 1.00 0.00 C ATOM 1767 CG1 VAL A 115 -6.682 7.999 -5.371 1.00 0.00 C ATOM 1768 CG2 VAL A 115 -5.472 5.821 -5.531 1.00 0.00 C ATOM 0 H VAL A 115 -7.934 4.184 -5.300 1.00 0.00 H new ATOM 0 HA VAL A 115 -7.059 6.262 -3.287 1.00 0.00 H new ATOM 0 HB VAL A 115 -7.430 6.223 -6.338 1.00 0.00 H new ATOM 0 HG11 VAL A 115 -6.162 8.355 -6.260 1.00 0.00 H new ATOM 0 HG12 VAL A 115 -7.663 8.471 -5.311 1.00 0.00 H new ATOM 0 HG13 VAL A 115 -6.101 8.255 -4.485 1.00 0.00 H new ATOM 0 HG21 VAL A 115 -4.951 6.175 -6.420 1.00 0.00 H new ATOM 0 HG22 VAL A 115 -4.893 6.079 -4.644 1.00 0.00 H new ATOM 0 HG23 VAL A 115 -5.589 4.739 -5.585 1.00 0.00 H new ATOM 1778 N LEU A 116 -9.954 5.952 -4.709 1.00 0.00 N ATOM 1779 CA LEU A 116 -11.340 6.500 -4.669 1.00 0.00 C ATOM 1780 C LEU A 116 -11.893 6.460 -3.243 1.00 0.00 C ATOM 1781 O LEU A 116 -12.818 7.170 -2.903 1.00 0.00 O ATOM 1782 CB LEU A 116 -12.151 5.587 -5.582 1.00 0.00 C ATOM 1783 CG LEU A 116 -12.951 6.444 -6.556 1.00 0.00 C ATOM 1784 CD1 LEU A 116 -13.405 5.589 -7.738 1.00 0.00 C ATOM 1785 CD2 LEU A 116 -14.172 7.017 -5.838 1.00 0.00 C ATOM 0 H LEU A 116 -9.849 5.073 -5.215 1.00 0.00 H new ATOM 0 HA LEU A 116 -11.378 7.541 -4.990 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -11.488 4.915 -6.128 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -12.821 4.963 -4.991 1.00 0.00 H new ATOM 0 HG LEU A 116 -12.327 7.259 -6.922 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -13.977 6.204 -8.433 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -12.533 5.180 -8.248 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -14.030 4.772 -7.377 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -14.747 7.631 -6.531 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -14.796 6.201 -5.473 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -13.846 7.629 -4.997 1.00 0.00 H new ATOM 1797 N VAL A 117 -11.331 5.634 -2.409 1.00 0.00 N ATOM 1798 CA VAL A 117 -11.816 5.541 -1.000 1.00 0.00 C ATOM 1799 C VAL A 117 -11.827 6.926 -0.343 1.00 0.00 C ATOM 1800 O VAL A 117 -12.451 7.129 0.679 1.00 0.00 O ATOM 1801 CB VAL A 117 -10.821 4.614 -0.295 1.00 0.00 C ATOM 1802 CG1 VAL A 117 -9.396 4.966 -0.727 1.00 0.00 C ATOM 1803 CG2 VAL A 117 -10.947 4.781 1.223 1.00 0.00 C ATOM 0 H VAL A 117 -10.554 5.016 -2.640 1.00 0.00 H new ATOM 0 HA VAL A 117 -12.836 5.161 -0.942 1.00 0.00 H new ATOM 0 HB VAL A 117 -11.039 3.581 -0.566 1.00 0.00 H new ATOM 0 HG11 VAL A 117 -8.690 4.305 -0.224 1.00 0.00 H new ATOM 0 HG12 VAL A 117 -9.302 4.844 -1.806 1.00 0.00 H new ATOM 0 HG13 VAL A 117 -9.179 6.000 -0.459 1.00 0.00 H new ATOM 0 HG21 VAL A 117 -10.238 4.120 1.722 1.00 0.00 H new ATOM 0 HG22 VAL A 117 -10.733 5.815 1.494 1.00 0.00 H new ATOM 0 HG23 VAL A 117 -11.960 4.527 1.534 1.00 0.00 H new ATOM 1813 N GLN A 118 -11.144 7.879 -0.918 1.00 0.00 N ATOM 1814 CA GLN A 118 -11.122 9.245 -0.317 1.00 0.00 C ATOM 1815 C GLN A 118 -11.386 10.306 -1.391 1.00 0.00 C ATOM 1816 O GLN A 118 -12.060 11.286 -1.146 1.00 0.00 O ATOM 1817 CB GLN A 118 -9.718 9.434 0.297 1.00 0.00 C ATOM 1818 CG GLN A 118 -8.703 8.459 -0.317 1.00 0.00 C ATOM 1819 CD GLN A 118 -7.301 9.067 -0.241 1.00 0.00 C ATOM 1820 OE1 GLN A 118 -6.673 9.050 0.799 1.00 0.00 O ATOM 1821 NE2 GLN A 118 -6.782 9.606 -1.309 1.00 0.00 N ATOM 0 H GLN A 118 -10.602 7.772 -1.775 1.00 0.00 H new ATOM 0 HA GLN A 118 -11.898 9.353 0.441 1.00 0.00 H new ATOM 0 HB2 GLN A 118 -9.384 10.459 0.136 1.00 0.00 H new ATOM 0 HB3 GLN A 118 -9.767 9.280 1.375 1.00 0.00 H new ATOM 0 HG2 GLN A 118 -8.728 7.508 0.215 1.00 0.00 H new ATOM 0 HG3 GLN A 118 -8.965 8.250 -1.354 1.00 0.00 H new ATOM 0 HE21 GLN A 118 -7.310 9.620 -2.181 1.00 0.00 H new ATOM 0 HE22 GLN A 118 -5.848 10.014 -1.272 1.00 0.00 H new ATOM 1830 N ILE A 119 -10.860 10.118 -2.574 1.00 0.00 N ATOM 1831 CA ILE A 119 -11.071 11.119 -3.666 1.00 0.00 C ATOM 1832 C ILE A 119 -10.407 12.443 -3.294 1.00 0.00 C ATOM 1833 O ILE A 119 -9.513 12.919 -3.964 1.00 0.00 O ATOM 1834 CB ILE A 119 -12.577 11.320 -3.780 1.00 0.00 C ATOM 1835 CG1 ILE A 119 -13.309 9.977 -3.684 1.00 0.00 C ATOM 1836 CG2 ILE A 119 -12.896 11.980 -5.124 1.00 0.00 C ATOM 1837 CD1 ILE A 119 -14.334 10.039 -2.549 1.00 0.00 C ATOM 0 H ILE A 119 -10.291 9.312 -2.833 1.00 0.00 H new ATOM 0 HA ILE A 119 -10.640 10.774 -4.606 1.00 0.00 H new ATOM 0 HB ILE A 119 -12.911 11.958 -2.962 1.00 0.00 H new ATOM 0 HG12 ILE A 119 -13.807 9.753 -4.627 1.00 0.00 H new ATOM 0 HG13 ILE A 119 -12.596 9.173 -3.502 1.00 0.00 H new ATOM 0 HG21 ILE A 119 -13.973 12.126 -5.211 1.00 0.00 H new ATOM 0 HG22 ILE A 119 -12.393 12.945 -5.184 1.00 0.00 H new ATOM 0 HG23 ILE A 119 -12.550 11.339 -5.935 1.00 0.00 H new ATOM 0 HD11 ILE A 119 -14.857 9.085 -2.478 1.00 0.00 H new ATOM 0 HD12 ILE A 119 -13.823 10.244 -1.608 1.00 0.00 H new ATOM 0 HD13 ILE A 119 -15.053 10.833 -2.751 1.00 0.00 H new ATOM 1849 N SER A 120 -10.849 13.038 -2.223 1.00 0.00 N ATOM 1850 CA SER A 120 -10.266 14.333 -1.782 1.00 0.00 C ATOM 1851 C SER A 120 -10.345 14.431 -0.259 1.00 0.00 C ATOM 1852 O SER A 120 -9.347 14.384 0.432 1.00 0.00 O ATOM 1853 CB SER A 120 -11.141 15.408 -2.429 1.00 0.00 C ATOM 1854 OG SER A 120 -12.160 14.790 -3.207 1.00 0.00 O ATOM 0 H SER A 120 -11.596 12.679 -1.629 1.00 0.00 H new ATOM 0 HA SER A 120 -9.220 14.440 -2.067 1.00 0.00 H new ATOM 0 HB2 SER A 120 -11.588 16.038 -1.660 1.00 0.00 H new ATOM 0 HB3 SER A 120 -10.532 16.057 -3.059 1.00 0.00 H new ATOM 0 HG SER A 120 -12.720 15.480 -3.619 1.00 0.00 H new ATOM 1860 N LYS A 121 -11.531 14.564 0.267 1.00 0.00 N ATOM 1861 CA LYS A 121 -11.682 14.663 1.743 1.00 0.00 C ATOM 1862 C LYS A 121 -10.927 15.891 2.250 1.00 0.00 C ATOM 1863 O LYS A 121 -9.714 15.898 2.304 1.00 0.00 O ATOM 1864 CB LYS A 121 -11.064 13.376 2.293 1.00 0.00 C ATOM 1865 CG LYS A 121 -12.120 12.595 3.080 1.00 0.00 C ATOM 1866 CD LYS A 121 -11.794 11.097 3.045 1.00 0.00 C ATOM 1867 CE LYS A 121 -12.287 10.440 4.336 1.00 0.00 C ATOM 1868 NZ LYS A 121 -13.247 9.395 3.888 1.00 0.00 N ATOM 0 H LYS A 121 -12.401 14.608 -0.263 1.00 0.00 H new ATOM 0 HA LYS A 121 -12.720 14.771 2.056 1.00 0.00 H new ATOM 0 HB2 LYS A 121 -10.681 12.766 1.475 1.00 0.00 H new ATOM 0 HB3 LYS A 121 -10.217 13.613 2.937 1.00 0.00 H new ATOM 0 HG2 LYS A 121 -12.150 12.946 4.112 1.00 0.00 H new ATOM 0 HG3 LYS A 121 -13.108 12.771 2.654 1.00 0.00 H new ATOM 0 HD2 LYS A 121 -12.269 10.630 2.182 1.00 0.00 H new ATOM 0 HD3 LYS A 121 -10.719 10.950 2.936 1.00 0.00 H new ATOM 0 HE2 LYS A 121 -11.461 10.004 4.898 1.00 0.00 H new ATOM 0 HE3 LYS A 121 -12.770 11.166 4.990 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 -13.631 8.898 4.717 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 -14.025 9.841 3.361 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 -12.757 8.715 3.272 1.00 0.00 H new ATOM 1882 N GLU A 122 -11.637 16.937 2.587 1.00 0.00 N ATOM 1883 CA GLU A 122 -10.971 18.185 3.059 1.00 0.00 C ATOM 1884 C GLU A 122 -9.753 18.444 2.183 1.00 0.00 C ATOM 1885 O GLU A 122 -8.708 18.859 2.645 1.00 0.00 O ATOM 1886 CB GLU A 122 -10.578 17.933 4.523 1.00 0.00 C ATOM 1887 CG GLU A 122 -9.429 16.926 4.606 1.00 0.00 C ATOM 1888 CD GLU A 122 -8.837 16.946 6.016 1.00 0.00 C ATOM 1889 OE1 GLU A 122 -8.042 17.829 6.293 1.00 0.00 O ATOM 1890 OE2 GLU A 122 -9.190 16.078 6.796 1.00 0.00 O ATOM 0 H GLU A 122 -12.656 16.979 2.555 1.00 0.00 H new ATOM 0 HA GLU A 122 -11.614 19.062 2.995 1.00 0.00 H new ATOM 0 HB2 GLU A 122 -10.281 18.871 4.992 1.00 0.00 H new ATOM 0 HB3 GLU A 122 -11.439 17.558 5.077 1.00 0.00 H new ATOM 0 HG2 GLU A 122 -9.789 15.926 4.365 1.00 0.00 H new ATOM 0 HG3 GLU A 122 -8.661 17.173 3.873 1.00 0.00 H new ATOM 1897 N VAL A 123 -9.897 18.179 0.910 1.00 0.00 N ATOM 1898 CA VAL A 123 -8.774 18.374 -0.046 1.00 0.00 C ATOM 1899 C VAL A 123 -7.911 19.575 0.357 1.00 0.00 C ATOM 1900 O VAL A 123 -8.217 20.673 -0.076 1.00 0.00 O ATOM 1901 CB VAL A 123 -9.444 18.624 -1.400 1.00 0.00 C ATOM 1902 CG1 VAL A 123 -10.511 19.711 -1.253 1.00 0.00 C ATOM 1903 CG2 VAL A 123 -8.393 19.079 -2.418 1.00 0.00 C ATOM 0 H VAL A 123 -10.759 17.831 0.490 1.00 0.00 H new ATOM 0 HA VAL A 123 -8.108 17.511 -0.069 1.00 0.00 H new ATOM 0 HB VAL A 123 -9.910 17.701 -1.745 1.00 0.00 H new ATOM 0 HG11 VAL A 123 -10.986 19.887 -2.218 1.00 0.00 H new ATOM 0 HG12 VAL A 123 -11.262 19.388 -0.532 1.00 0.00 H new ATOM 0 HG13 VAL A 123 -10.046 20.633 -0.904 1.00 0.00 H new ATOM 0 HG21 VAL A 123 -8.872 19.256 -3.381 1.00 0.00 H new ATOM 0 HG22 VAL A 123 -7.925 20.000 -2.071 1.00 0.00 H new ATOM 0 HG23 VAL A 123 -7.634 18.305 -2.528 1.00 0.00 H new TER 1913 VAL A 123 HETATM 1914 CA CA A 201 2.408 -8.776 -9.075 1.00 0.00 CA HETATM 1915 BE BEF A 202 0.750 -8.388 -6.881 1.00 0.00 BE HETATM 1916 F1 BEF A 202 1.566 -7.808 -7.975 1.00 0.00 F HETATM 1917 F2 BEF A 202 -0.185 -7.278 -7.931 1.00 0.00 F HETATM 1918 F3 BEF A 202 -0.284 -9.135 -7.386 1.00 0.00 F