USER MOD reduce.3.24.130724 H: found=0, std=0, add=876, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 878 hydrogens (32 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 NoAdj-H: A 18 HIS HE2 : A 18 HIS NE2 : A 104 HECFE :(H bumps) USER MOD NoAdj-H: A 71 HIS HE2 : A 71 HIS NE2 : A 104 HECFE :(H bumps) USER MOD NoAdj-H: A 104 HEC HAC : A 104 HEC CAC : A 17 CYS SG :(H bumps) USER MOD NoAdj-H: A 104 HEC HAB : A 104 HEC CAB : A 14 CYS SG :(H bumps) USER MOD NoAdj-H: A 104 HEC H2D : A 104 HEC O2D : A 104 HEC CGD :(short bond) USER MOD NoAdj-H: A 104 HEC H2A : A 104 HEC O2A : A 104 HEC CGA :(short bond) USER MOD Set 1.1: A 26 HIS : no HE2:sc= -14! C(o=-23!,f=-35!) USER MOD Set 1.2: A 31 ASN : amide:sc= -8.91! C(o=-23!,f=-36!) USER MOD Single : A 2 SER OG : rot 180:sc= -1.82 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 THR OG1 : rot -39:sc= 0.715 USER MOD Single : A -2 LYS NZ :NH3+ 162:sc= -0.032 (180deg=-0.416) USER MOD Single : A -5 THR N :NH3+ -151:sc= 0.0206 (180deg=-0.884) USER MOD Single : A -5 THR OG1 : rot 180:sc= -0.0382 USER MOD Single : A 11 LYS NZ :NH3+ -177:sc= -0.0947 (180deg=-0.0965) USER MOD Single : A 12 THR OG1 : rot -77:sc= 0.727 USER MOD Single : A 16 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 143:sc= 0.298 (180deg=0.0824) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 HIS : no HD1:sc= -3.41! C(o=-3.4!,f=-4.6!) USER MOD Single : A 39 HIS : no HD1:sc= -0.133 X(o=-0.13,f=-0.12) USER MOD Single : A 40 SER OG : rot 45:sc= 0.462 USER MOD Single : A 42 GLN : amide:sc= -1.81 K(o=-1.8,f=-8!) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 116:sc= -2.71! USER MOD Single : A 49 THR OG1 : rot 28:sc= -0.843 USER MOD Single : A 52 ASN : amide:sc= -3.12 K(o=-3.1,f=-4.9!) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ -162:sc= -0.095 (180deg=-0.576) USER MOD Single : A 56 ASN : amide:sc= -2.24! C(o=-2.2!,f=-7.3!) USER MOD Single : A 62 ASN : amide:sc= -0.105 K(o=-0.11,f=-2.1!) USER MOD Single : A 63 ASN : amide:sc= 0 K(o=0,f=-1.6!) USER MOD Single : A 64 MET CE :methyl 171:sc= -1.04 (180deg=-1.31) USER MOD Single : A 65 SER OG : rot 180:sc= -0.617 USER MOD Single : A 67 TYR OH : rot -33:sc= 0.177 USER MOD Single : A 69 THR OG1 : rot 97:sc= 0.00264 USER MOD Single : A 70 ASN : amide:sc= -3.06! C(o=-3.1!,f=-6.5!) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 TYR OH : rot -115:sc= -6.11! USER MOD Single : A 78 THR OG1 : rot -50:sc= -0.733 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 MET CE :methyl -153:sc= -0.274 (180deg=-1.6!) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 ASN : amide:sc= -2.55 K(o=-2.6,f=-3.5!) USER MOD Single : A 96 THR OG1 : rot 89:sc= 0.836 USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ -120:sc= -3.67! (180deg=-6.18!) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 THR OG1 : rot 80:sc= 0.261 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A -5 -15.921 3.128 2.054 1.00 0.00 N ATOM 2 CA THR A -5 -16.184 3.885 0.796 1.00 0.00 C ATOM 3 C THR A -5 -15.490 5.247 0.867 1.00 0.00 C ATOM 4 O THR A -5 -14.758 5.627 -0.025 1.00 0.00 O ATOM 5 CB THR A -5 -17.692 4.089 0.630 1.00 0.00 C ATOM 6 OG1 THR A -5 -18.226 4.656 1.819 1.00 0.00 O ATOM 7 CG2 THR A -5 -18.364 2.741 0.359 1.00 0.00 C ATOM 0 H1 THR A -5 -15.935 2.107 1.854 1.00 0.00 H new ATOM 0 H2 THR A -5 -14.989 3.394 2.431 1.00 0.00 H new ATOM 0 H3 THR A -5 -16.655 3.354 2.755 1.00 0.00 H new ATOM 0 HA THR A -5 -15.797 3.324 -0.054 1.00 0.00 H new ATOM 0 HB THR A -5 -17.878 4.761 -0.208 1.00 0.00 H new ATOM 0 HG1 THR A -5 -19.191 4.789 1.713 1.00 0.00 H new ATOM 0 HG21 THR A -5 -19.438 2.887 0.241 1.00 0.00 H new ATOM 0 HG22 THR A -5 -17.954 2.307 -0.553 1.00 0.00 H new ATOM 0 HG23 THR A -5 -18.179 2.068 1.196 1.00 0.00 H new ATOM 17 N GLU A -4 -15.715 5.984 1.921 1.00 0.00 N ATOM 18 CA GLU A -4 -15.069 7.322 2.052 1.00 0.00 C ATOM 19 C GLU A -4 -13.961 7.252 3.104 1.00 0.00 C ATOM 20 O GLU A -4 -14.026 6.477 4.037 1.00 0.00 O ATOM 21 CB GLU A -4 -16.117 8.352 2.482 1.00 0.00 C ATOM 22 CG GLU A -4 -17.218 8.437 1.423 1.00 0.00 C ATOM 23 CD GLU A -4 -16.622 8.927 0.102 1.00 0.00 C ATOM 24 OE1 GLU A -4 -15.540 9.489 0.134 1.00 0.00 O ATOM 25 OE2 GLU A -4 -17.262 8.736 -0.920 1.00 0.00 O ATOM 0 H GLU A -4 -16.319 5.717 2.698 1.00 0.00 H new ATOM 0 HA GLU A -4 -14.641 7.616 1.094 1.00 0.00 H new ATOM 0 HB2 GLU A -4 -16.545 8.070 3.444 1.00 0.00 H new ATOM 0 HB3 GLU A -4 -15.650 9.328 2.614 1.00 0.00 H new ATOM 0 HG2 GLU A -4 -17.680 7.459 1.285 1.00 0.00 H new ATOM 0 HG3 GLU A -4 -18.003 9.117 1.754 1.00 0.00 H new ATOM 32 N PHE A -3 -12.943 8.056 2.961 1.00 0.00 N ATOM 33 CA PHE A -3 -11.833 8.036 3.952 1.00 0.00 C ATOM 34 C PHE A -3 -11.399 9.470 4.265 1.00 0.00 C ATOM 35 O PHE A -3 -11.680 10.389 3.520 1.00 0.00 O ATOM 36 CB PHE A -3 -10.651 7.254 3.375 1.00 0.00 C ATOM 37 CG PHE A -3 -10.130 7.961 2.146 1.00 0.00 C ATOM 38 CD1 PHE A -3 -10.744 7.750 0.906 1.00 0.00 C ATOM 39 CD2 PHE A -3 -9.033 8.824 2.246 1.00 0.00 C ATOM 40 CE1 PHE A -3 -10.261 8.405 -0.234 1.00 0.00 C ATOM 41 CE2 PHE A -3 -8.550 9.478 1.106 1.00 0.00 C ATOM 42 CZ PHE A -3 -9.163 9.269 -0.134 1.00 0.00 C ATOM 0 H PHE A -3 -12.833 8.726 2.200 1.00 0.00 H new ATOM 0 HA PHE A -3 -12.172 7.555 4.870 1.00 0.00 H new ATOM 0 HB2 PHE A -3 -9.860 7.167 4.120 1.00 0.00 H new ATOM 0 HB3 PHE A -3 -10.961 6.241 3.120 1.00 0.00 H new ATOM 0 HD1 PHE A -3 -11.590 7.083 0.828 1.00 0.00 H new ATOM 0 HD2 PHE A -3 -8.559 8.986 3.203 1.00 0.00 H new ATOM 0 HE1 PHE A -3 -10.735 8.244 -1.191 1.00 0.00 H new ATOM 0 HE2 PHE A -3 -7.704 10.144 1.184 1.00 0.00 H new ATOM 0 HZ PHE A -3 -8.790 9.773 -1.013 1.00 0.00 H new ATOM 52 N LYS A -2 -10.719 9.670 5.361 1.00 0.00 N ATOM 53 CA LYS A -2 -10.270 11.046 5.719 1.00 0.00 C ATOM 54 C LYS A -2 -9.060 11.426 4.862 1.00 0.00 C ATOM 55 O LYS A -2 -8.131 10.658 4.711 1.00 0.00 O ATOM 56 CB LYS A -2 -9.881 11.084 7.200 1.00 0.00 C ATOM 57 CG LYS A -2 -9.580 12.525 7.628 1.00 0.00 C ATOM 58 CD LYS A -2 -10.888 13.269 7.914 1.00 0.00 C ATOM 59 CE LYS A -2 -10.573 14.625 8.549 1.00 0.00 C ATOM 60 NZ LYS A -2 -9.727 15.424 7.619 1.00 0.00 N ATOM 0 H LYS A -2 -10.455 8.941 6.024 1.00 0.00 H new ATOM 0 HA LYS A -2 -11.079 11.753 5.537 1.00 0.00 H new ATOM 0 HB2 LYS A -2 -10.690 10.677 7.807 1.00 0.00 H new ATOM 0 HB3 LYS A -2 -9.007 10.455 7.371 1.00 0.00 H new ATOM 0 HG2 LYS A -2 -8.950 12.525 8.517 1.00 0.00 H new ATOM 0 HG3 LYS A -2 -9.024 13.038 6.843 1.00 0.00 H new ATOM 0 HD2 LYS A -2 -11.449 13.409 6.990 1.00 0.00 H new ATOM 0 HD3 LYS A -2 -11.516 12.679 8.582 1.00 0.00 H new ATOM 0 HE2 LYS A -2 -11.497 15.160 8.767 1.00 0.00 H new ATOM 0 HE3 LYS A -2 -10.055 14.483 9.498 1.00 0.00 H new ATOM 0 HZ1 LYS A -2 -9.763 16.427 7.892 1.00 0.00 H new ATOM 0 HZ2 LYS A -2 -8.744 15.087 7.667 1.00 0.00 H new ATOM 0 HZ3 LYS A -2 -10.083 15.317 6.648 1.00 0.00 H new ATOM 74 N ALA A -1 -9.067 12.605 4.300 1.00 0.00 N ATOM 75 CA ALA A -1 -7.922 13.038 3.451 1.00 0.00 C ATOM 76 C ALA A -1 -7.120 14.118 4.179 1.00 0.00 C ATOM 77 O ALA A -1 -7.280 14.332 5.365 1.00 0.00 O ATOM 78 CB ALA A -1 -8.453 13.601 2.132 1.00 0.00 C ATOM 0 H ALA A -1 -9.819 13.288 4.393 1.00 0.00 H new ATOM 0 HA ALA A -1 -7.276 12.183 3.251 1.00 0.00 H new ATOM 0 HB1 ALA A -1 -7.617 13.919 1.509 1.00 0.00 H new ATOM 0 HB2 ALA A -1 -9.022 12.831 1.611 1.00 0.00 H new ATOM 0 HB3 ALA A -1 -9.099 14.455 2.335 1.00 0.00 H new ATOM 84 N GLY A 1 -6.258 14.803 3.477 1.00 0.00 N ATOM 85 CA GLY A 1 -5.445 15.871 4.126 1.00 0.00 C ATOM 86 C GLY A 1 -4.682 16.653 3.055 1.00 0.00 C ATOM 87 O GLY A 1 -5.044 17.758 2.702 1.00 0.00 O ATOM 0 H GLY A 1 -6.082 14.669 2.481 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -6.092 16.543 4.690 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -4.746 15.430 4.836 1.00 0.00 H new ATOM 91 N SER A 2 -3.630 16.086 2.530 1.00 0.00 N ATOM 92 CA SER A 2 -2.847 16.788 1.481 1.00 0.00 C ATOM 93 C SER A 2 -2.275 15.749 0.515 1.00 0.00 C ATOM 94 O SER A 2 -1.412 14.969 0.866 1.00 0.00 O ATOM 95 CB SER A 2 -1.710 17.568 2.135 1.00 0.00 C ATOM 96 OG SER A 2 -1.275 18.595 1.255 1.00 0.00 O ATOM 0 H SER A 2 -3.280 15.163 2.786 1.00 0.00 H new ATOM 0 HA SER A 2 -3.488 17.482 0.936 1.00 0.00 H new ATOM 0 HB2 SER A 2 -2.046 18.000 3.078 1.00 0.00 H new ATOM 0 HB3 SER A 2 -0.882 16.899 2.368 1.00 0.00 H new ATOM 0 HG SER A 2 -0.546 19.098 1.674 1.00 0.00 H new ATOM 102 N ALA A 3 -2.753 15.728 -0.697 1.00 0.00 N ATOM 103 CA ALA A 3 -2.244 14.734 -1.684 1.00 0.00 C ATOM 104 C ALA A 3 -0.778 15.024 -2.008 1.00 0.00 C ATOM 105 O ALA A 3 -0.004 14.128 -2.279 1.00 0.00 O ATOM 106 CB ALA A 3 -3.075 14.822 -2.964 1.00 0.00 C ATOM 0 H ALA A 3 -3.475 16.357 -1.048 1.00 0.00 H new ATOM 0 HA ALA A 3 -2.325 13.733 -1.260 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -2.705 14.096 -3.688 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -4.119 14.607 -2.736 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -2.994 15.825 -3.382 1.00 0.00 H new ATOM 112 N LYS A 4 -0.393 16.269 -1.994 1.00 0.00 N ATOM 113 CA LYS A 4 1.020 16.614 -2.313 1.00 0.00 C ATOM 114 C LYS A 4 1.966 15.954 -1.303 1.00 0.00 C ATOM 115 O LYS A 4 2.952 15.348 -1.674 1.00 0.00 O ATOM 116 CB LYS A 4 1.195 18.136 -2.270 1.00 0.00 C ATOM 117 CG LYS A 4 0.657 18.685 -0.943 1.00 0.00 C ATOM 118 CD LYS A 4 -0.290 19.858 -1.209 1.00 0.00 C ATOM 119 CE LYS A 4 -1.656 19.321 -1.641 1.00 0.00 C ATOM 120 NZ LYS A 4 -2.630 20.447 -1.717 1.00 0.00 N ATOM 0 H LYS A 4 -0.995 17.063 -1.776 1.00 0.00 H new ATOM 0 HA LYS A 4 1.261 16.248 -3.311 1.00 0.00 H new ATOM 0 HB2 LYS A 4 2.249 18.393 -2.380 1.00 0.00 H new ATOM 0 HB3 LYS A 4 0.666 18.596 -3.105 1.00 0.00 H new ATOM 0 HG2 LYS A 4 0.132 17.899 -0.400 1.00 0.00 H new ATOM 0 HG3 LYS A 4 1.484 19.010 -0.312 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -0.394 20.467 -0.311 1.00 0.00 H new ATOM 0 HD3 LYS A 4 0.122 20.503 -1.985 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -1.576 18.829 -2.610 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -2.005 18.571 -0.931 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -3.559 20.083 -2.011 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -2.714 20.897 -0.783 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -2.298 21.147 -2.410 1.00 0.00 H new ATOM 134 N LYS A 5 1.679 16.057 -0.034 1.00 0.00 N ATOM 135 CA LYS A 5 2.567 15.430 0.979 1.00 0.00 C ATOM 136 C LYS A 5 2.560 13.913 0.796 1.00 0.00 C ATOM 137 O LYS A 5 3.587 13.266 0.843 1.00 0.00 O ATOM 138 CB LYS A 5 2.060 15.777 2.377 1.00 0.00 C ATOM 139 CG LYS A 5 2.174 17.285 2.604 1.00 0.00 C ATOM 140 CD LYS A 5 1.775 17.615 4.044 1.00 0.00 C ATOM 141 CE LYS A 5 1.772 19.133 4.238 1.00 0.00 C ATOM 142 NZ LYS A 5 1.138 19.465 5.545 1.00 0.00 N ATOM 0 H LYS A 5 0.868 16.548 0.342 1.00 0.00 H new ATOM 0 HA LYS A 5 3.583 15.804 0.855 1.00 0.00 H new ATOM 0 HB2 LYS A 5 1.023 15.460 2.488 1.00 0.00 H new ATOM 0 HB3 LYS A 5 2.640 15.241 3.129 1.00 0.00 H new ATOM 0 HG2 LYS A 5 3.195 17.616 2.413 1.00 0.00 H new ATOM 0 HG3 LYS A 5 1.530 17.819 1.905 1.00 0.00 H new ATOM 0 HD2 LYS A 5 0.787 17.208 4.261 1.00 0.00 H new ATOM 0 HD3 LYS A 5 2.472 17.150 4.741 1.00 0.00 H new ATOM 0 HE2 LYS A 5 2.792 19.516 4.209 1.00 0.00 H new ATOM 0 HE3 LYS A 5 1.227 19.613 3.425 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 1.136 20.497 5.678 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 0.160 19.112 5.556 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 1.676 19.018 6.315 1.00 0.00 H new ATOM 156 N GLY A 6 1.407 13.344 0.584 1.00 0.00 N ATOM 157 CA GLY A 6 1.323 11.868 0.397 1.00 0.00 C ATOM 158 C GLY A 6 2.129 11.457 -0.831 1.00 0.00 C ATOM 159 O GLY A 6 2.702 10.387 -0.880 1.00 0.00 O ATOM 0 H GLY A 6 0.516 13.838 0.532 1.00 0.00 H new ATOM 0 HA2 GLY A 6 1.704 11.358 1.281 1.00 0.00 H new ATOM 0 HA3 GLY A 6 0.282 11.566 0.279 1.00 0.00 H new ATOM 163 N ALA A 7 2.172 12.295 -1.827 1.00 0.00 N ATOM 164 CA ALA A 7 2.935 11.942 -3.053 1.00 0.00 C ATOM 165 C ALA A 7 4.402 11.718 -2.701 1.00 0.00 C ATOM 166 O ALA A 7 5.016 10.775 -3.150 1.00 0.00 O ATOM 167 CB ALA A 7 2.821 13.079 -4.069 1.00 0.00 C ATOM 0 H ALA A 7 1.713 13.206 -1.845 1.00 0.00 H new ATOM 0 HA ALA A 7 2.525 11.028 -3.482 1.00 0.00 H new ATOM 0 HB1 ALA A 7 3.380 12.821 -4.968 1.00 0.00 H new ATOM 0 HB2 ALA A 7 1.773 13.234 -4.325 1.00 0.00 H new ATOM 0 HB3 ALA A 7 3.228 13.994 -3.639 1.00 0.00 H new ATOM 173 N THR A 8 4.972 12.574 -1.902 1.00 0.00 N ATOM 174 CA THR A 8 6.402 12.400 -1.535 1.00 0.00 C ATOM 175 C THR A 8 6.554 11.268 -0.517 1.00 0.00 C ATOM 176 O THR A 8 7.556 10.581 -0.489 1.00 0.00 O ATOM 177 CB THR A 8 6.932 13.700 -0.938 1.00 0.00 C ATOM 178 OG1 THR A 8 6.352 13.903 0.344 1.00 0.00 O ATOM 179 CG2 THR A 8 6.573 14.871 -1.854 1.00 0.00 C ATOM 0 H THR A 8 4.511 13.384 -1.488 1.00 0.00 H new ATOM 0 HA THR A 8 6.971 12.147 -2.429 1.00 0.00 H new ATOM 0 HB THR A 8 8.016 13.638 -0.841 1.00 0.00 H new ATOM 0 HG1 THR A 8 5.410 13.633 0.323 1.00 0.00 H new ATOM 0 HG21 THR A 8 6.953 15.798 -1.425 1.00 0.00 H new ATOM 0 HG22 THR A 8 7.020 14.715 -2.836 1.00 0.00 H new ATOM 0 HG23 THR A 8 5.490 14.935 -1.955 1.00 0.00 H new ATOM 187 N LEU A 9 5.574 11.060 0.321 1.00 0.00 N ATOM 188 CA LEU A 9 5.687 9.963 1.327 1.00 0.00 C ATOM 189 C LEU A 9 5.954 8.646 0.607 1.00 0.00 C ATOM 190 O LEU A 9 6.815 7.879 0.988 1.00 0.00 O ATOM 191 CB LEU A 9 4.383 9.852 2.122 1.00 0.00 C ATOM 192 CG LEU A 9 4.253 11.047 3.072 1.00 0.00 C ATOM 193 CD1 LEU A 9 2.847 11.071 3.671 1.00 0.00 C ATOM 194 CD2 LEU A 9 5.279 10.925 4.204 1.00 0.00 C ATOM 0 H LEU A 9 4.707 11.597 0.354 1.00 0.00 H new ATOM 0 HA LEU A 9 6.507 10.183 2.011 1.00 0.00 H new ATOM 0 HB2 LEU A 9 3.532 9.822 1.441 1.00 0.00 H new ATOM 0 HB3 LEU A 9 4.370 8.921 2.689 1.00 0.00 H new ATOM 0 HG LEU A 9 4.433 11.967 2.516 1.00 0.00 H new ATOM 0 HD11 LEU A 9 2.754 11.921 4.347 1.00 0.00 H new ATOM 0 HD12 LEU A 9 2.112 11.161 2.871 1.00 0.00 H new ATOM 0 HD13 LEU A 9 2.671 10.148 4.223 1.00 0.00 H new ATOM 0 HD21 LEU A 9 5.182 11.777 4.876 1.00 0.00 H new ATOM 0 HD22 LEU A 9 5.101 10.003 4.758 1.00 0.00 H new ATOM 0 HD23 LEU A 9 6.284 10.907 3.783 1.00 0.00 H new ATOM 206 N PHE A 10 5.230 8.382 -0.440 1.00 0.00 N ATOM 207 CA PHE A 10 5.450 7.120 -1.192 1.00 0.00 C ATOM 208 C PHE A 10 6.837 7.150 -1.834 1.00 0.00 C ATOM 209 O PHE A 10 7.559 6.174 -1.827 1.00 0.00 O ATOM 210 CB PHE A 10 4.390 6.975 -2.287 1.00 0.00 C ATOM 211 CG PHE A 10 4.582 5.657 -3.003 1.00 0.00 C ATOM 212 CD1 PHE A 10 5.595 5.528 -3.961 1.00 0.00 C ATOM 213 CD2 PHE A 10 3.754 4.566 -2.708 1.00 0.00 C ATOM 214 CE1 PHE A 10 5.780 4.309 -4.625 1.00 0.00 C ATOM 215 CE2 PHE A 10 3.939 3.346 -3.374 1.00 0.00 C ATOM 216 CZ PHE A 10 4.952 3.219 -4.333 1.00 0.00 C ATOM 0 H PHE A 10 4.495 8.986 -0.808 1.00 0.00 H new ATOM 0 HA PHE A 10 5.377 6.276 -0.506 1.00 0.00 H new ATOM 0 HB2 PHE A 10 3.392 7.022 -1.851 1.00 0.00 H new ATOM 0 HB3 PHE A 10 4.468 7.800 -2.995 1.00 0.00 H new ATOM 0 HD1 PHE A 10 6.234 6.369 -4.188 1.00 0.00 H new ATOM 0 HD2 PHE A 10 2.974 4.665 -1.968 1.00 0.00 H new ATOM 0 HE1 PHE A 10 6.562 4.210 -5.363 1.00 0.00 H new ATOM 0 HE2 PHE A 10 3.301 2.505 -3.148 1.00 0.00 H new ATOM 0 HZ PHE A 10 5.094 2.280 -4.847 1.00 0.00 H new ATOM 226 N LYS A 11 7.203 8.262 -2.408 1.00 0.00 N ATOM 227 CA LYS A 11 8.527 8.361 -3.073 1.00 0.00 C ATOM 228 C LYS A 11 9.668 8.175 -2.069 1.00 0.00 C ATOM 229 O LYS A 11 10.693 7.605 -2.383 1.00 0.00 O ATOM 230 CB LYS A 11 8.668 9.736 -3.726 1.00 0.00 C ATOM 231 CG LYS A 11 7.642 9.883 -4.850 1.00 0.00 C ATOM 232 CD LYS A 11 7.880 11.202 -5.588 1.00 0.00 C ATOM 233 CE LYS A 11 6.780 11.408 -6.631 1.00 0.00 C ATOM 234 NZ LYS A 11 5.648 12.159 -6.017 1.00 0.00 N ATOM 0 H LYS A 11 6.637 9.110 -2.444 1.00 0.00 H new ATOM 0 HA LYS A 11 8.587 7.572 -3.823 1.00 0.00 H new ATOM 0 HB2 LYS A 11 8.521 10.519 -2.982 1.00 0.00 H new ATOM 0 HB3 LYS A 11 9.676 9.859 -4.123 1.00 0.00 H new ATOM 0 HG2 LYS A 11 7.724 9.046 -5.543 1.00 0.00 H new ATOM 0 HG3 LYS A 11 6.632 9.860 -4.440 1.00 0.00 H new ATOM 0 HD2 LYS A 11 7.885 12.031 -4.881 1.00 0.00 H new ATOM 0 HD3 LYS A 11 8.857 11.190 -6.072 1.00 0.00 H new ATOM 0 HE2 LYS A 11 7.173 11.957 -7.486 1.00 0.00 H new ATOM 0 HE3 LYS A 11 6.432 10.445 -7.003 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 4.879 12.255 -6.710 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 5.301 11.643 -5.183 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 5.974 13.104 -5.728 1.00 0.00 H new ATOM 248 N THR A 12 9.519 8.682 -0.879 1.00 0.00 N ATOM 249 CA THR A 12 10.616 8.566 0.119 1.00 0.00 C ATOM 250 C THR A 12 10.374 7.399 1.080 1.00 0.00 C ATOM 251 O THR A 12 11.079 7.249 2.057 1.00 0.00 O ATOM 252 CB THR A 12 10.687 9.867 0.919 1.00 0.00 C ATOM 253 OG1 THR A 12 9.461 10.063 1.609 1.00 0.00 O ATOM 254 CG2 THR A 12 10.937 11.040 -0.030 1.00 0.00 C ATOM 0 H THR A 12 8.685 9.172 -0.554 1.00 0.00 H new ATOM 0 HA THR A 12 11.551 8.382 -0.410 1.00 0.00 H new ATOM 0 HB THR A 12 11.503 9.808 1.639 1.00 0.00 H new ATOM 0 HG1 THR A 12 8.781 10.389 0.982 1.00 0.00 H new ATOM 0 HG21 THR A 12 10.987 11.966 0.542 1.00 0.00 H new ATOM 0 HG22 THR A 12 11.879 10.887 -0.557 1.00 0.00 H new ATOM 0 HG23 THR A 12 10.123 11.103 -0.752 1.00 0.00 H new ATOM 262 N ARG A 13 9.390 6.576 0.829 1.00 0.00 N ATOM 263 CA ARG A 13 9.134 5.437 1.760 1.00 0.00 C ATOM 264 C ARG A 13 8.885 4.144 0.981 1.00 0.00 C ATOM 265 O ARG A 13 9.656 3.208 1.054 1.00 0.00 O ATOM 266 CB ARG A 13 7.900 5.741 2.615 1.00 0.00 C ATOM 267 CG ARG A 13 8.068 7.084 3.337 1.00 0.00 C ATOM 268 CD ARG A 13 9.081 6.944 4.477 1.00 0.00 C ATOM 269 NE ARG A 13 9.057 8.176 5.314 1.00 0.00 N ATOM 270 CZ ARG A 13 10.104 8.508 6.018 1.00 0.00 C ATOM 271 NH1 ARG A 13 11.173 7.760 5.990 1.00 0.00 N ATOM 272 NH2 ARG A 13 10.083 9.589 6.749 1.00 0.00 N ATOM 0 H ARG A 13 8.759 6.641 0.030 1.00 0.00 H new ATOM 0 HA ARG A 13 10.012 5.309 2.393 1.00 0.00 H new ATOM 0 HB2 ARG A 13 7.011 5.768 1.985 1.00 0.00 H new ATOM 0 HB3 ARG A 13 7.750 4.945 3.344 1.00 0.00 H new ATOM 0 HG2 ARG A 13 8.404 7.845 2.633 1.00 0.00 H new ATOM 0 HG3 ARG A 13 7.108 7.416 3.732 1.00 0.00 H new ATOM 0 HD2 ARG A 13 8.841 6.072 5.086 1.00 0.00 H new ATOM 0 HD3 ARG A 13 10.081 6.785 4.073 1.00 0.00 H new ATOM 0 HE ARG A 13 8.221 8.760 5.337 1.00 0.00 H new ATOM 0 HH11 ARG A 13 11.190 6.916 5.418 1.00 0.00 H new ATOM 0 HH12 ARG A 13 11.992 8.020 6.540 1.00 0.00 H new ATOM 0 HH21 ARG A 13 9.248 10.174 6.770 1.00 0.00 H new ATOM 0 HH22 ARG A 13 10.902 9.848 7.299 1.00 0.00 H new ATOM 286 N CYS A 14 7.803 4.071 0.257 1.00 0.00 N ATOM 287 CA CYS A 14 7.499 2.822 -0.497 1.00 0.00 C ATOM 288 C CYS A 14 8.471 2.658 -1.671 1.00 0.00 C ATOM 289 O CYS A 14 8.761 1.556 -2.094 1.00 0.00 O ATOM 290 CB CYS A 14 6.062 2.866 -1.019 1.00 0.00 C ATOM 291 SG CYS A 14 4.973 3.798 0.110 1.00 0.00 S ATOM 0 H CYS A 14 7.118 4.820 0.155 1.00 0.00 H new ATOM 0 HA CYS A 14 7.613 1.972 0.176 1.00 0.00 H new ATOM 0 HB2 CYS A 14 6.046 3.327 -2.006 1.00 0.00 H new ATOM 0 HB3 CYS A 14 5.684 1.850 -1.136 1.00 0.00 H new ATOM 296 N LEU A 15 8.973 3.735 -2.207 1.00 0.00 N ATOM 297 CA LEU A 15 9.919 3.620 -3.357 1.00 0.00 C ATOM 298 C LEU A 15 11.092 2.717 -2.975 1.00 0.00 C ATOM 299 O LEU A 15 11.609 1.977 -3.789 1.00 0.00 O ATOM 300 CB LEU A 15 10.451 5.003 -3.726 1.00 0.00 C ATOM 301 CG LEU A 15 11.333 4.903 -4.976 1.00 0.00 C ATOM 302 CD1 LEU A 15 10.470 4.565 -6.195 1.00 0.00 C ATOM 303 CD2 LEU A 15 12.035 6.242 -5.209 1.00 0.00 C ATOM 0 H LEU A 15 8.772 4.687 -1.902 1.00 0.00 H new ATOM 0 HA LEU A 15 9.391 3.191 -4.209 1.00 0.00 H new ATOM 0 HB2 LEU A 15 9.621 5.685 -3.909 1.00 0.00 H new ATOM 0 HB3 LEU A 15 11.025 5.415 -2.896 1.00 0.00 H new ATOM 0 HG LEU A 15 12.075 4.118 -4.831 1.00 0.00 H new ATOM 0 HD11 LEU A 15 11.102 4.495 -7.080 1.00 0.00 H new ATOM 0 HD12 LEU A 15 9.967 3.612 -6.032 1.00 0.00 H new ATOM 0 HD13 LEU A 15 9.725 5.347 -6.342 1.00 0.00 H new ATOM 0 HD21 LEU A 15 12.663 6.174 -6.097 1.00 0.00 H new ATOM 0 HD22 LEU A 15 11.289 7.024 -5.351 1.00 0.00 H new ATOM 0 HD23 LEU A 15 12.654 6.484 -4.345 1.00 0.00 H new ATOM 315 N GLN A 16 11.526 2.780 -1.750 1.00 0.00 N ATOM 316 CA GLN A 16 12.676 1.937 -1.324 1.00 0.00 C ATOM 317 C GLN A 16 12.372 0.459 -1.586 1.00 0.00 C ATOM 318 O GLN A 16 13.249 -0.301 -1.946 1.00 0.00 O ATOM 319 CB GLN A 16 12.933 2.144 0.170 1.00 0.00 C ATOM 320 CG GLN A 16 13.370 3.589 0.418 1.00 0.00 C ATOM 321 CD GLN A 16 13.578 3.809 1.917 1.00 0.00 C ATOM 322 OE1 GLN A 16 13.122 3.027 2.728 1.00 0.00 O ATOM 323 NE2 GLN A 16 14.253 4.849 2.324 1.00 0.00 N ATOM 0 H GLN A 16 11.134 3.379 -1.024 1.00 0.00 H new ATOM 0 HA GLN A 16 13.559 2.226 -1.894 1.00 0.00 H new ATOM 0 HB2 GLN A 16 12.030 1.923 0.739 1.00 0.00 H new ATOM 0 HB3 GLN A 16 13.704 1.455 0.516 1.00 0.00 H new ATOM 0 HG2 GLN A 16 14.293 3.799 -0.123 1.00 0.00 H new ATOM 0 HG3 GLN A 16 12.615 4.278 0.040 1.00 0.00 H new ATOM 0 HE21 GLN A 16 14.636 5.506 1.644 1.00 0.00 H new ATOM 0 HE22 GLN A 16 14.397 5.005 3.322 1.00 0.00 H new ATOM 332 N CYS A 17 11.144 0.040 -1.402 1.00 0.00 N ATOM 333 CA CYS A 17 10.806 -1.398 -1.632 1.00 0.00 C ATOM 334 C CYS A 17 9.825 -1.547 -2.800 1.00 0.00 C ATOM 335 O CYS A 17 10.001 -2.387 -3.660 1.00 0.00 O ATOM 336 CB CYS A 17 10.180 -1.981 -0.366 1.00 0.00 C ATOM 337 SG CYS A 17 11.369 -1.879 1.006 1.00 0.00 S ATOM 0 H CYS A 17 10.366 0.628 -1.104 1.00 0.00 H new ATOM 0 HA CYS A 17 11.722 -1.935 -1.877 1.00 0.00 H new ATOM 0 HB2 CYS A 17 9.271 -1.436 -0.114 1.00 0.00 H new ATOM 0 HB3 CYS A 17 9.893 -3.019 -0.535 1.00 0.00 H new ATOM 342 N HIS A 18 8.788 -0.758 -2.836 1.00 0.00 N ATOM 343 CA HIS A 18 7.803 -0.892 -3.953 1.00 0.00 C ATOM 344 C HIS A 18 8.092 0.123 -5.052 1.00 0.00 C ATOM 345 O HIS A 18 8.578 1.203 -4.805 1.00 0.00 O ATOM 346 CB HIS A 18 6.382 -0.608 -3.465 1.00 0.00 C ATOM 347 CG HIS A 18 5.983 -1.544 -2.368 1.00 0.00 C ATOM 348 ND1 HIS A 18 5.613 -2.864 -2.602 1.00 0.00 N ATOM 349 CD2 HIS A 18 5.822 -1.338 -1.030 1.00 0.00 C ATOM 350 CE1 HIS A 18 5.240 -3.392 -1.419 1.00 0.00 C ATOM 351 NE2 HIS A 18 5.350 -2.495 -0.439 1.00 0.00 N ATOM 0 H HIS A 18 8.578 -0.033 -2.150 1.00 0.00 H new ATOM 0 HA HIS A 18 7.891 -1.912 -4.327 1.00 0.00 H new ATOM 0 HB2 HIS A 18 6.317 0.420 -3.109 1.00 0.00 H new ATOM 0 HB3 HIS A 18 5.684 -0.702 -4.297 1.00 0.00 H new ATOM 0 HD1 HIS A 18 5.622 -3.344 -3.502 1.00 0.00 H new ATOM 0 HD2 HIS A 18 6.031 -0.414 -0.512 1.00 0.00 H new ATOM 0 HE1 HIS A 18 4.897 -4.407 -1.283 1.00 0.00 H new ATOM 359 N THR A 19 7.740 -0.209 -6.259 1.00 0.00 N ATOM 360 CA THR A 19 7.926 0.740 -7.388 1.00 0.00 C ATOM 361 C THR A 19 6.572 0.894 -8.084 1.00 0.00 C ATOM 362 O THR A 19 5.946 -0.080 -8.452 1.00 0.00 O ATOM 363 CB THR A 19 8.952 0.185 -8.373 1.00 0.00 C ATOM 364 OG1 THR A 19 10.141 -0.157 -7.675 1.00 0.00 O ATOM 365 CG2 THR A 19 9.268 1.241 -9.433 1.00 0.00 C ATOM 0 H THR A 19 7.327 -1.106 -6.515 1.00 0.00 H new ATOM 0 HA THR A 19 8.287 1.702 -7.024 1.00 0.00 H new ATOM 0 HB THR A 19 8.546 -0.703 -8.857 1.00 0.00 H new ATOM 0 HG1 THR A 19 10.800 -0.515 -8.306 1.00 0.00 H new ATOM 0 HG21 THR A 19 10.001 0.844 -10.135 1.00 0.00 H new ATOM 0 HG22 THR A 19 8.356 1.503 -9.969 1.00 0.00 H new ATOM 0 HG23 THR A 19 9.673 2.131 -8.951 1.00 0.00 H new ATOM 373 N VAL A 20 6.101 2.097 -8.257 1.00 0.00 N ATOM 374 CA VAL A 20 4.776 2.277 -8.917 1.00 0.00 C ATOM 375 C VAL A 20 4.885 1.914 -10.398 1.00 0.00 C ATOM 376 O VAL A 20 3.918 1.522 -11.023 1.00 0.00 O ATOM 377 CB VAL A 20 4.316 3.730 -8.774 1.00 0.00 C ATOM 378 CG1 VAL A 20 4.080 4.050 -7.299 1.00 0.00 C ATOM 379 CG2 VAL A 20 5.393 4.665 -9.325 1.00 0.00 C ATOM 0 H VAL A 20 6.570 2.957 -7.973 1.00 0.00 H new ATOM 0 HA VAL A 20 4.047 1.623 -8.438 1.00 0.00 H new ATOM 0 HB VAL A 20 3.390 3.870 -9.331 1.00 0.00 H new ATOM 0 HG11 VAL A 20 3.753 5.085 -7.199 1.00 0.00 H new ATOM 0 HG12 VAL A 20 3.312 3.386 -6.901 1.00 0.00 H new ATOM 0 HG13 VAL A 20 5.007 3.907 -6.743 1.00 0.00 H new ATOM 0 HG21 VAL A 20 5.064 5.699 -9.223 1.00 0.00 H new ATOM 0 HG22 VAL A 20 6.319 4.522 -8.768 1.00 0.00 H new ATOM 0 HG23 VAL A 20 5.565 4.442 -10.378 1.00 0.00 H new ATOM 389 N GLU A 21 6.051 2.035 -10.967 1.00 0.00 N ATOM 390 CA GLU A 21 6.213 1.692 -12.408 1.00 0.00 C ATOM 391 C GLU A 21 5.792 0.238 -12.633 1.00 0.00 C ATOM 392 O GLU A 21 6.016 -0.620 -11.801 1.00 0.00 O ATOM 393 CB GLU A 21 7.677 1.869 -12.815 1.00 0.00 C ATOM 394 CG GLU A 21 8.074 3.338 -12.658 1.00 0.00 C ATOM 395 CD GLU A 21 9.519 3.530 -13.119 1.00 0.00 C ATOM 396 OE1 GLU A 21 10.180 2.534 -13.364 1.00 0.00 O ATOM 397 OE2 GLU A 21 9.941 4.670 -13.220 1.00 0.00 O ATOM 0 H GLU A 21 6.898 2.356 -10.498 1.00 0.00 H new ATOM 0 HA GLU A 21 5.588 2.350 -13.012 1.00 0.00 H new ATOM 0 HB2 GLU A 21 8.317 1.240 -12.196 1.00 0.00 H new ATOM 0 HB3 GLU A 21 7.820 1.551 -13.848 1.00 0.00 H new ATOM 0 HG2 GLU A 21 7.407 3.970 -13.245 1.00 0.00 H new ATOM 0 HG3 GLU A 21 7.970 3.644 -11.617 1.00 0.00 H new ATOM 404 N LYS A 22 5.184 -0.045 -13.751 1.00 0.00 N ATOM 405 CA LYS A 22 4.747 -1.444 -14.029 1.00 0.00 C ATOM 406 C LYS A 22 5.969 -2.305 -14.354 1.00 0.00 C ATOM 407 O LYS A 22 6.829 -1.915 -15.117 1.00 0.00 O ATOM 408 CB LYS A 22 3.786 -1.451 -15.220 1.00 0.00 C ATOM 409 CG LYS A 22 3.181 -2.848 -15.377 1.00 0.00 C ATOM 410 CD LYS A 22 2.270 -2.874 -16.607 1.00 0.00 C ATOM 411 CE LYS A 22 1.547 -4.220 -16.678 1.00 0.00 C ATOM 412 NZ LYS A 22 2.490 -5.266 -17.164 1.00 0.00 N ATOM 0 H LYS A 22 4.970 0.631 -14.485 1.00 0.00 H new ATOM 0 HA LYS A 22 4.241 -1.848 -13.152 1.00 0.00 H new ATOM 0 HB2 LYS A 22 2.996 -0.716 -15.068 1.00 0.00 H new ATOM 0 HB3 LYS A 22 4.315 -1.167 -16.130 1.00 0.00 H new ATOM 0 HG2 LYS A 22 3.973 -3.589 -15.482 1.00 0.00 H new ATOM 0 HG3 LYS A 22 2.613 -3.112 -14.485 1.00 0.00 H new ATOM 0 HD2 LYS A 22 1.545 -2.062 -16.553 1.00 0.00 H new ATOM 0 HD3 LYS A 22 2.858 -2.717 -17.511 1.00 0.00 H new ATOM 0 HE2 LYS A 22 1.163 -4.491 -15.695 1.00 0.00 H new ATOM 0 HE3 LYS A 22 0.689 -4.149 -17.347 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 2.301 -6.161 -16.669 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 2.360 -5.402 -18.187 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 3.468 -4.966 -16.976 1.00 0.00 H new ATOM 426 N GLY A 23 6.051 -3.475 -13.781 1.00 0.00 N ATOM 427 CA GLY A 23 7.220 -4.358 -14.061 1.00 0.00 C ATOM 428 C GLY A 23 8.436 -3.853 -13.285 1.00 0.00 C ATOM 429 O GLY A 23 9.554 -3.907 -13.759 1.00 0.00 O ATOM 0 H GLY A 23 5.362 -3.857 -13.133 1.00 0.00 H new ATOM 0 HA2 GLY A 23 6.992 -5.384 -13.773 1.00 0.00 H new ATOM 0 HA3 GLY A 23 7.435 -4.367 -15.130 1.00 0.00 H new ATOM 433 N GLY A 24 8.228 -3.358 -12.097 1.00 0.00 N ATOM 434 CA GLY A 24 9.373 -2.845 -11.293 1.00 0.00 C ATOM 435 C GLY A 24 10.374 -3.979 -11.044 1.00 0.00 C ATOM 436 O GLY A 24 10.020 -5.141 -11.050 1.00 0.00 O ATOM 0 H GLY A 24 7.315 -3.286 -11.648 1.00 0.00 H new ATOM 0 HA2 GLY A 24 9.861 -2.024 -11.819 1.00 0.00 H new ATOM 0 HA3 GLY A 24 9.015 -2.447 -10.343 1.00 0.00 H new ATOM 440 N PRO A 25 11.620 -3.640 -10.836 1.00 0.00 N ATOM 441 CA PRO A 25 12.704 -4.639 -10.591 1.00 0.00 C ATOM 442 C PRO A 25 12.551 -5.373 -9.254 1.00 0.00 C ATOM 443 O PRO A 25 13.215 -6.359 -9.004 1.00 0.00 O ATOM 444 CB PRO A 25 13.988 -3.805 -10.591 1.00 0.00 C ATOM 445 CG PRO A 25 13.559 -2.409 -10.279 1.00 0.00 C ATOM 446 CD PRO A 25 12.135 -2.262 -10.810 1.00 0.00 C ATOM 0 HA PRO A 25 12.690 -5.424 -11.348 1.00 0.00 H new ATOM 0 HB2 PRO A 25 14.695 -4.173 -9.848 1.00 0.00 H new ATOM 0 HB3 PRO A 25 14.488 -3.855 -11.558 1.00 0.00 H new ATOM 0 HG2 PRO A 25 13.593 -2.224 -9.205 1.00 0.00 H new ATOM 0 HG3 PRO A 25 14.225 -1.685 -10.749 1.00 0.00 H new ATOM 0 HD2 PRO A 25 11.532 -1.623 -10.165 1.00 0.00 H new ATOM 0 HD3 PRO A 25 12.124 -1.813 -11.803 1.00 0.00 H new ATOM 454 N HIS A 26 11.701 -4.894 -8.386 1.00 0.00 N ATOM 455 CA HIS A 26 11.535 -5.566 -7.063 1.00 0.00 C ATOM 456 C HIS A 26 12.893 -5.619 -6.362 1.00 0.00 C ATOM 457 O HIS A 26 13.319 -6.655 -5.893 1.00 0.00 O ATOM 458 CB HIS A 26 11.017 -6.995 -7.254 1.00 0.00 C ATOM 459 CG HIS A 26 9.781 -6.982 -8.101 1.00 0.00 C ATOM 460 ND1 HIS A 26 8.665 -6.224 -7.780 1.00 0.00 N ATOM 461 CD2 HIS A 26 9.469 -7.645 -9.256 1.00 0.00 C ATOM 462 CE1 HIS A 26 7.739 -6.449 -8.731 1.00 0.00 C ATOM 463 NE2 HIS A 26 8.183 -7.305 -9.653 1.00 0.00 N ATOM 0 H HIS A 26 11.117 -4.071 -8.534 1.00 0.00 H new ATOM 0 HA HIS A 26 10.818 -5.005 -6.464 1.00 0.00 H new ATOM 0 HB2 HIS A 26 11.784 -7.609 -7.725 1.00 0.00 H new ATOM 0 HB3 HIS A 26 10.799 -7.445 -6.285 1.00 0.00 H new ATOM 0 HD1 HIS A 26 8.564 -5.609 -6.972 1.00 0.00 H new ATOM 0 HD2 HIS A 26 10.122 -8.328 -9.779 1.00 0.00 H new ATOM 0 HE1 HIS A 26 6.760 -5.994 -8.746 1.00 0.00 H new ATOM 472 N LYS A 27 13.584 -4.514 -6.300 1.00 0.00 N ATOM 473 CA LYS A 27 14.922 -4.510 -5.645 1.00 0.00 C ATOM 474 C LYS A 27 14.819 -5.101 -4.238 1.00 0.00 C ATOM 475 O LYS A 27 15.648 -5.887 -3.827 1.00 0.00 O ATOM 476 CB LYS A 27 15.433 -3.071 -5.555 1.00 0.00 C ATOM 477 CG LYS A 27 16.834 -3.064 -4.941 1.00 0.00 C ATOM 478 CD LYS A 27 17.324 -1.621 -4.803 1.00 0.00 C ATOM 479 CE LYS A 27 18.784 -1.620 -4.348 1.00 0.00 C ATOM 480 NZ LYS A 27 19.263 -0.213 -4.219 1.00 0.00 N ATOM 0 H LYS A 27 13.280 -3.615 -6.674 1.00 0.00 H new ATOM 0 HA LYS A 27 15.612 -5.113 -6.234 1.00 0.00 H new ATOM 0 HB2 LYS A 27 15.457 -2.620 -6.547 1.00 0.00 H new ATOM 0 HB3 LYS A 27 14.755 -2.471 -4.948 1.00 0.00 H new ATOM 0 HG2 LYS A 27 16.817 -3.548 -3.965 1.00 0.00 H new ATOM 0 HG3 LYS A 27 17.520 -3.634 -5.568 1.00 0.00 H new ATOM 0 HD2 LYS A 27 17.229 -1.100 -5.756 1.00 0.00 H new ATOM 0 HD3 LYS A 27 16.707 -1.083 -4.083 1.00 0.00 H new ATOM 0 HE2 LYS A 27 18.879 -2.137 -3.393 1.00 0.00 H new ATOM 0 HE3 LYS A 27 19.400 -2.161 -5.066 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 20.256 -0.211 -3.910 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 19.186 0.266 -5.139 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 18.681 0.289 -3.518 1.00 0.00 H new ATOM 494 N VAL A 28 13.808 -4.731 -3.498 1.00 0.00 N ATOM 495 CA VAL A 28 13.652 -5.275 -2.117 1.00 0.00 C ATOM 496 C VAL A 28 12.392 -6.139 -2.042 1.00 0.00 C ATOM 497 O VAL A 28 12.460 -7.332 -1.823 1.00 0.00 O ATOM 498 CB VAL A 28 13.532 -4.121 -1.126 1.00 0.00 C ATOM 499 CG1 VAL A 28 14.149 -4.532 0.211 1.00 0.00 C ATOM 500 CG2 VAL A 28 14.270 -2.898 -1.674 1.00 0.00 C ATOM 0 H VAL A 28 13.083 -4.075 -3.790 1.00 0.00 H new ATOM 0 HA VAL A 28 14.523 -5.882 -1.869 1.00 0.00 H new ATOM 0 HB VAL A 28 12.480 -3.875 -0.981 1.00 0.00 H new ATOM 0 HG11 VAL A 28 14.064 -3.708 0.920 1.00 0.00 H new ATOM 0 HG12 VAL A 28 13.623 -5.403 0.602 1.00 0.00 H new ATOM 0 HG13 VAL A 28 15.201 -4.778 0.066 1.00 0.00 H new ATOM 0 HG21 VAL A 28 14.184 -2.074 -0.966 1.00 0.00 H new ATOM 0 HG22 VAL A 28 15.322 -3.143 -1.820 1.00 0.00 H new ATOM 0 HG23 VAL A 28 13.830 -2.605 -2.627 1.00 0.00 H new ATOM 510 N GLY A 29 11.242 -5.542 -2.211 1.00 0.00 N ATOM 511 CA GLY A 29 9.972 -6.321 -2.139 1.00 0.00 C ATOM 512 C GLY A 29 9.131 -6.068 -3.391 1.00 0.00 C ATOM 513 O GLY A 29 9.416 -5.186 -4.177 1.00 0.00 O ATOM 0 H GLY A 29 11.128 -4.546 -2.396 1.00 0.00 H new ATOM 0 HA2 GLY A 29 10.193 -7.385 -2.048 1.00 0.00 H new ATOM 0 HA3 GLY A 29 9.410 -6.035 -1.250 1.00 0.00 H new ATOM 517 N PRO A 30 8.095 -6.843 -3.564 1.00 0.00 N ATOM 518 CA PRO A 30 7.173 -6.727 -4.723 1.00 0.00 C ATOM 519 C PRO A 30 6.832 -5.272 -5.044 1.00 0.00 C ATOM 520 O PRO A 30 6.754 -4.434 -4.166 1.00 0.00 O ATOM 521 CB PRO A 30 5.904 -7.471 -4.279 1.00 0.00 C ATOM 522 CG PRO A 30 6.205 -8.105 -2.953 1.00 0.00 C ATOM 523 CD PRO A 30 7.694 -7.924 -2.667 1.00 0.00 C ATOM 0 HA PRO A 30 7.624 -7.137 -5.627 1.00 0.00 H new ATOM 0 HB2 PRO A 30 5.063 -6.782 -4.195 1.00 0.00 H new ATOM 0 HB3 PRO A 30 5.624 -8.227 -5.013 1.00 0.00 H new ATOM 0 HG2 PRO A 30 5.608 -7.644 -2.166 1.00 0.00 H new ATOM 0 HG3 PRO A 30 5.947 -9.164 -2.970 1.00 0.00 H new ATOM 0 HD2 PRO A 30 7.872 -7.664 -1.623 1.00 0.00 H new ATOM 0 HD3 PRO A 30 8.253 -8.838 -2.867 1.00 0.00 H new ATOM 531 N ASN A 31 6.621 -4.967 -6.293 1.00 0.00 N ATOM 532 CA ASN A 31 6.280 -3.569 -6.672 1.00 0.00 C ATOM 533 C ASN A 31 4.786 -3.488 -6.971 1.00 0.00 C ATOM 534 O ASN A 31 4.280 -4.154 -7.854 1.00 0.00 O ATOM 535 CB ASN A 31 7.088 -3.172 -7.902 1.00 0.00 C ATOM 536 CG ASN A 31 8.568 -3.454 -7.635 1.00 0.00 C ATOM 537 OD1 ASN A 31 9.302 -3.823 -8.530 1.00 0.00 O ATOM 538 ND2 ASN A 31 9.037 -3.305 -6.426 1.00 0.00 N ATOM 0 H ASN A 31 6.670 -5.627 -7.069 1.00 0.00 H new ATOM 0 HA ASN A 31 6.520 -2.887 -5.856 1.00 0.00 H new ATOM 0 HB2 ASN A 31 6.749 -3.733 -8.773 1.00 0.00 H new ATOM 0 HB3 ASN A 31 6.940 -2.115 -8.125 1.00 0.00 H new ATOM 0 HD21 ASN A 31 10.020 -3.498 -6.233 1.00 0.00 H new ATOM 0 HD22 ASN A 31 8.421 -2.995 -5.675 1.00 0.00 H new ATOM 545 N LEU A 32 4.069 -2.695 -6.224 1.00 0.00 N ATOM 546 CA LEU A 32 2.606 -2.590 -6.437 1.00 0.00 C ATOM 547 C LEU A 32 2.264 -1.332 -7.231 1.00 0.00 C ATOM 548 O LEU A 32 2.950 -0.332 -7.169 1.00 0.00 O ATOM 549 CB LEU A 32 1.915 -2.520 -5.083 1.00 0.00 C ATOM 550 CG LEU A 32 2.412 -3.657 -4.184 1.00 0.00 C ATOM 551 CD1 LEU A 32 1.494 -3.783 -2.968 1.00 0.00 C ATOM 552 CD2 LEU A 32 2.411 -4.975 -4.961 1.00 0.00 C ATOM 0 H LEU A 32 4.439 -2.114 -5.472 1.00 0.00 H new ATOM 0 HA LEU A 32 2.269 -3.462 -6.997 1.00 0.00 H new ATOM 0 HB2 LEU A 32 2.116 -1.558 -4.612 1.00 0.00 H new ATOM 0 HB3 LEU A 32 0.835 -2.592 -5.212 1.00 0.00 H new ATOM 0 HG LEU A 32 3.428 -3.436 -3.856 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.847 -4.592 -2.328 1.00 0.00 H new ATOM 0 HD12 LEU A 32 1.501 -2.848 -2.408 1.00 0.00 H new ATOM 0 HD13 LEU A 32 0.479 -4.000 -3.300 1.00 0.00 H new ATOM 0 HD21 LEU A 32 2.766 -5.778 -4.315 1.00 0.00 H new ATOM 0 HD22 LEU A 32 1.398 -5.199 -5.296 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.068 -4.888 -5.826 1.00 0.00 H new ATOM 564 N HIS A 33 1.192 -1.383 -7.972 1.00 0.00 N ATOM 565 CA HIS A 33 0.775 -0.206 -8.773 1.00 0.00 C ATOM 566 C HIS A 33 -0.612 -0.460 -9.360 1.00 0.00 C ATOM 567 O HIS A 33 -0.761 -1.151 -10.349 1.00 0.00 O ATOM 568 CB HIS A 33 1.773 0.003 -9.907 1.00 0.00 C ATOM 569 CG HIS A 33 1.399 1.228 -10.694 1.00 0.00 C ATOM 570 ND1 HIS A 33 1.453 2.503 -10.148 1.00 0.00 N ATOM 571 CD2 HIS A 33 0.966 1.392 -11.987 1.00 0.00 C ATOM 572 CE1 HIS A 33 1.061 3.370 -11.100 1.00 0.00 C ATOM 573 NE2 HIS A 33 0.755 2.744 -12.237 1.00 0.00 N ATOM 0 H HIS A 33 0.584 -2.198 -8.055 1.00 0.00 H new ATOM 0 HA HIS A 33 0.745 0.680 -8.139 1.00 0.00 H new ATOM 0 HB2 HIS A 33 2.779 0.112 -9.503 1.00 0.00 H new ATOM 0 HB3 HIS A 33 1.785 -0.870 -10.559 1.00 0.00 H new ATOM 0 HD2 HIS A 33 0.813 0.595 -12.699 1.00 0.00 H new ATOM 0 HE1 HIS A 33 1.002 4.439 -10.960 1.00 0.00 H new ATOM 0 HE2 HIS A 33 0.434 3.168 -13.107 1.00 0.00 H new ATOM 582 N GLY A 34 -1.628 0.096 -8.765 1.00 0.00 N ATOM 583 CA GLY A 34 -3.002 -0.113 -9.297 1.00 0.00 C ATOM 584 C GLY A 34 -3.665 -1.296 -8.589 1.00 0.00 C ATOM 585 O GLY A 34 -4.744 -1.716 -8.957 1.00 0.00 O ATOM 0 H GLY A 34 -1.567 0.685 -7.935 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -3.598 0.788 -9.152 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -2.961 -0.298 -10.370 1.00 0.00 H new ATOM 589 N ILE A 35 -3.045 -1.837 -7.573 1.00 0.00 N ATOM 590 CA ILE A 35 -3.677 -2.984 -6.864 1.00 0.00 C ATOM 591 C ILE A 35 -5.011 -2.525 -6.288 1.00 0.00 C ATOM 592 O ILE A 35 -5.817 -3.319 -5.845 1.00 0.00 O ATOM 593 CB ILE A 35 -2.762 -3.492 -5.746 1.00 0.00 C ATOM 594 CG1 ILE A 35 -2.679 -2.465 -4.611 1.00 0.00 C ATOM 595 CG2 ILE A 35 -1.366 -3.740 -6.309 1.00 0.00 C ATOM 596 CD1 ILE A 35 -1.766 -3.006 -3.511 1.00 0.00 C ATOM 0 H ILE A 35 -2.140 -1.538 -7.209 1.00 0.00 H new ATOM 0 HA ILE A 35 -3.839 -3.804 -7.564 1.00 0.00 H new ATOM 0 HB ILE A 35 -3.173 -4.420 -5.349 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -2.292 -1.518 -4.988 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -3.673 -2.266 -4.210 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -0.712 -4.102 -5.515 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -1.421 -4.486 -7.102 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -0.966 -2.810 -6.713 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -1.703 -2.280 -2.701 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -2.173 -3.942 -3.128 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -0.771 -3.182 -3.918 1.00 0.00 H new ATOM 608 N PHE A 36 -5.260 -1.247 -6.305 1.00 0.00 N ATOM 609 CA PHE A 36 -6.553 -0.747 -5.776 1.00 0.00 C ATOM 610 C PHE A 36 -7.674 -1.416 -6.572 1.00 0.00 C ATOM 611 O PHE A 36 -7.763 -1.272 -7.774 1.00 0.00 O ATOM 612 CB PHE A 36 -6.623 0.772 -5.967 1.00 0.00 C ATOM 613 CG PHE A 36 -5.753 1.473 -4.945 1.00 0.00 C ATOM 614 CD1 PHE A 36 -4.353 1.364 -5.001 1.00 0.00 C ATOM 615 CD2 PHE A 36 -6.352 2.250 -3.944 1.00 0.00 C ATOM 616 CE1 PHE A 36 -3.563 2.028 -4.053 1.00 0.00 C ATOM 617 CE2 PHE A 36 -5.560 2.915 -3.001 1.00 0.00 C ATOM 618 CZ PHE A 36 -4.167 2.803 -3.055 1.00 0.00 C ATOM 0 H PHE A 36 -4.626 -0.531 -6.661 1.00 0.00 H new ATOM 0 HA PHE A 36 -6.651 -0.976 -4.715 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -6.296 1.034 -6.973 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -7.655 1.110 -5.869 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -3.887 0.770 -5.773 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -7.428 2.336 -3.900 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -2.487 1.942 -4.092 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -6.024 3.514 -2.232 1.00 0.00 H new ATOM 0 HZ PHE A 36 -3.556 3.315 -2.326 1.00 0.00 H new ATOM 628 N GLY A 37 -8.524 -2.158 -5.918 1.00 0.00 N ATOM 629 CA GLY A 37 -9.624 -2.842 -6.655 1.00 0.00 C ATOM 630 C GLY A 37 -9.171 -4.251 -7.057 1.00 0.00 C ATOM 631 O GLY A 37 -9.835 -4.930 -7.815 1.00 0.00 O ATOM 0 H GLY A 37 -8.506 -2.320 -4.911 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -10.515 -2.899 -6.029 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -9.894 -2.268 -7.542 1.00 0.00 H new ATOM 635 N ARG A 38 -8.046 -4.694 -6.553 1.00 0.00 N ATOM 636 CA ARG A 38 -7.549 -6.059 -6.902 1.00 0.00 C ATOM 637 C ARG A 38 -7.568 -6.949 -5.665 1.00 0.00 C ATOM 638 O ARG A 38 -7.780 -6.496 -4.557 1.00 0.00 O ATOM 639 CB ARG A 38 -6.110 -5.988 -7.425 1.00 0.00 C ATOM 640 CG ARG A 38 -6.073 -5.361 -8.821 1.00 0.00 C ATOM 641 CD ARG A 38 -6.524 -6.385 -9.870 1.00 0.00 C ATOM 642 NE ARG A 38 -6.206 -5.871 -11.231 1.00 0.00 N ATOM 643 CZ ARG A 38 -5.009 -6.029 -11.726 1.00 0.00 C ATOM 644 NH1 ARG A 38 -4.090 -6.636 -11.028 1.00 0.00 N ATOM 645 NH2 ARG A 38 -4.733 -5.578 -12.919 1.00 0.00 N ATOM 0 H ARG A 38 -7.450 -4.168 -5.914 1.00 0.00 H new ATOM 0 HA ARG A 38 -8.200 -6.471 -7.673 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -5.497 -5.401 -6.741 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -5.680 -6.989 -7.459 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -6.722 -4.486 -8.853 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -5.064 -5.017 -9.047 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -6.023 -7.338 -9.703 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -7.595 -6.568 -9.779 1.00 0.00 H new ATOM 0 HE ARG A 38 -6.924 -5.395 -11.777 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -4.307 -6.987 -10.095 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -3.154 -6.760 -11.415 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -5.453 -5.103 -13.464 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -3.798 -5.701 -13.307 1.00 0.00 H new ATOM 659 N HIS A 39 -7.341 -8.218 -5.850 1.00 0.00 N ATOM 660 CA HIS A 39 -7.335 -9.154 -4.699 1.00 0.00 C ATOM 661 C HIS A 39 -5.919 -9.292 -4.160 1.00 0.00 C ATOM 662 O HIS A 39 -4.962 -9.362 -4.904 1.00 0.00 O ATOM 663 CB HIS A 39 -7.845 -10.517 -5.154 1.00 0.00 C ATOM 664 CG HIS A 39 -9.349 -10.511 -5.153 1.00 0.00 C ATOM 665 ND1 HIS A 39 -10.079 -9.706 -6.012 1.00 0.00 N ATOM 666 CD2 HIS A 39 -10.275 -11.204 -4.412 1.00 0.00 C ATOM 667 CE1 HIS A 39 -11.384 -9.934 -5.776 1.00 0.00 C ATOM 668 NE2 HIS A 39 -11.555 -10.838 -4.811 1.00 0.00 N ATOM 0 H HIS A 39 -7.158 -8.648 -6.757 1.00 0.00 H new ATOM 0 HA HIS A 39 -7.982 -8.767 -3.912 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -7.472 -10.743 -6.153 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -7.473 -11.297 -4.490 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -10.044 -11.922 -3.639 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -12.191 -9.446 -6.302 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -12.440 -11.188 -4.443 1.00 0.00 H new ATOM 677 N SER A 40 -5.776 -9.333 -2.865 1.00 0.00 N ATOM 678 CA SER A 40 -4.422 -9.467 -2.281 1.00 0.00 C ATOM 679 C SER A 40 -3.727 -10.668 -2.905 1.00 0.00 C ATOM 680 O SER A 40 -4.319 -11.712 -3.098 1.00 0.00 O ATOM 681 CB SER A 40 -4.533 -9.675 -0.773 1.00 0.00 C ATOM 682 OG SER A 40 -4.454 -8.419 -0.118 1.00 0.00 O ATOM 0 H SER A 40 -6.539 -9.279 -2.191 1.00 0.00 H new ATOM 0 HA SER A 40 -3.847 -8.562 -2.480 1.00 0.00 H new ATOM 0 HB2 SER A 40 -5.476 -10.165 -0.531 1.00 0.00 H new ATOM 0 HB3 SER A 40 -3.734 -10.330 -0.425 1.00 0.00 H new ATOM 0 HG SER A 40 -5.018 -7.769 -0.587 1.00 0.00 H new ATOM 688 N GLY A 41 -2.472 -10.534 -3.217 1.00 0.00 N ATOM 689 CA GLY A 41 -1.736 -11.673 -3.821 1.00 0.00 C ATOM 690 C GLY A 41 -1.618 -11.489 -5.333 1.00 0.00 C ATOM 691 O GLY A 41 -1.041 -12.313 -6.014 1.00 0.00 O ATOM 0 H GLY A 41 -1.924 -9.685 -3.080 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -0.743 -11.748 -3.379 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -2.254 -12.607 -3.601 1.00 0.00 H new ATOM 695 N GLN A 42 -2.162 -10.429 -5.874 1.00 0.00 N ATOM 696 CA GLN A 42 -2.069 -10.234 -7.350 1.00 0.00 C ATOM 697 C GLN A 42 -0.987 -9.207 -7.685 1.00 0.00 C ATOM 698 O GLN A 42 -1.069 -8.051 -7.317 1.00 0.00 O ATOM 699 CB GLN A 42 -3.420 -9.763 -7.877 1.00 0.00 C ATOM 700 CG GLN A 42 -4.449 -10.861 -7.617 1.00 0.00 C ATOM 701 CD GLN A 42 -5.826 -10.402 -8.098 1.00 0.00 C ATOM 702 OE1 GLN A 42 -6.058 -9.222 -8.280 1.00 0.00 O ATOM 703 NE2 GLN A 42 -6.756 -11.290 -8.315 1.00 0.00 N ATOM 0 H GLN A 42 -2.660 -9.699 -5.364 1.00 0.00 H new ATOM 0 HA GLN A 42 -1.801 -11.179 -7.822 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -3.719 -8.839 -7.382 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -3.357 -9.548 -8.944 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -4.158 -11.775 -8.135 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -4.484 -11.095 -6.553 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -6.562 -12.280 -8.162 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -7.678 -10.995 -8.637 1.00 0.00 H new ATOM 712 N ALA A 43 0.024 -9.629 -8.395 1.00 0.00 N ATOM 713 CA ALA A 43 1.123 -8.699 -8.782 1.00 0.00 C ATOM 714 C ALA A 43 1.932 -9.339 -9.912 1.00 0.00 C ATOM 715 O ALA A 43 2.684 -10.270 -9.702 1.00 0.00 O ATOM 716 CB ALA A 43 2.035 -8.441 -7.580 1.00 0.00 C ATOM 0 H ALA A 43 0.136 -10.587 -8.726 1.00 0.00 H new ATOM 0 HA ALA A 43 0.702 -7.750 -9.115 1.00 0.00 H new ATOM 0 HB1 ALA A 43 2.836 -7.761 -7.870 1.00 0.00 H new ATOM 0 HB2 ALA A 43 1.455 -7.995 -6.772 1.00 0.00 H new ATOM 0 HB3 ALA A 43 2.465 -9.383 -7.241 1.00 0.00 H new ATOM 722 N GLU A 44 1.779 -8.851 -11.111 1.00 0.00 N ATOM 723 CA GLU A 44 2.530 -9.430 -12.257 1.00 0.00 C ATOM 724 C GLU A 44 4.024 -9.257 -12.013 1.00 0.00 C ATOM 725 O GLU A 44 4.820 -10.116 -12.339 1.00 0.00 O ATOM 726 CB GLU A 44 2.136 -8.705 -13.546 1.00 0.00 C ATOM 727 CG GLU A 44 0.656 -8.955 -13.843 1.00 0.00 C ATOM 728 CD GLU A 44 0.280 -8.285 -15.165 1.00 0.00 C ATOM 729 OE1 GLU A 44 1.099 -7.545 -15.685 1.00 0.00 O ATOM 730 OE2 GLU A 44 -0.820 -8.523 -15.635 1.00 0.00 O ATOM 0 H GLU A 44 1.163 -8.073 -11.347 1.00 0.00 H new ATOM 0 HA GLU A 44 2.293 -10.490 -12.353 1.00 0.00 H new ATOM 0 HB2 GLU A 44 2.322 -7.636 -13.445 1.00 0.00 H new ATOM 0 HB3 GLU A 44 2.749 -9.058 -14.376 1.00 0.00 H new ATOM 0 HG2 GLU A 44 0.461 -10.026 -13.898 1.00 0.00 H new ATOM 0 HG3 GLU A 44 0.040 -8.560 -13.035 1.00 0.00 H new ATOM 737 N GLY A 45 4.414 -8.158 -11.432 1.00 0.00 N ATOM 738 CA GLY A 45 5.859 -7.945 -11.160 1.00 0.00 C ATOM 739 C GLY A 45 6.364 -9.091 -10.289 1.00 0.00 C ATOM 740 O GLY A 45 7.427 -9.634 -10.513 1.00 0.00 O ATOM 0 H GLY A 45 3.797 -7.402 -11.135 1.00 0.00 H new ATOM 0 HA2 GLY A 45 6.418 -7.905 -12.095 1.00 0.00 H new ATOM 0 HA3 GLY A 45 6.013 -6.991 -10.656 1.00 0.00 H new ATOM 744 N TYR A 46 5.601 -9.474 -9.301 1.00 0.00 N ATOM 745 CA TYR A 46 6.033 -10.597 -8.427 1.00 0.00 C ATOM 746 C TYR A 46 4.888 -11.033 -7.519 1.00 0.00 C ATOM 747 O TYR A 46 4.240 -10.227 -6.884 1.00 0.00 O ATOM 748 CB TYR A 46 7.229 -10.164 -7.574 1.00 0.00 C ATOM 749 CG TYR A 46 7.364 -11.097 -6.393 1.00 0.00 C ATOM 750 CD1 TYR A 46 7.381 -12.482 -6.592 1.00 0.00 C ATOM 751 CD2 TYR A 46 7.465 -10.576 -5.097 1.00 0.00 C ATOM 752 CE1 TYR A 46 7.496 -13.345 -5.495 1.00 0.00 C ATOM 753 CE2 TYR A 46 7.582 -11.436 -4.003 1.00 0.00 C ATOM 754 CZ TYR A 46 7.596 -12.822 -4.200 1.00 0.00 C ATOM 755 OH TYR A 46 7.710 -13.672 -3.119 1.00 0.00 O ATOM 0 H TYR A 46 4.700 -9.058 -9.063 1.00 0.00 H new ATOM 0 HA TYR A 46 6.324 -11.437 -9.058 1.00 0.00 H new ATOM 0 HB2 TYR A 46 8.141 -10.180 -8.171 1.00 0.00 H new ATOM 0 HB3 TYR A 46 7.092 -9.139 -7.229 1.00 0.00 H new ATOM 0 HD1 TYR A 46 7.305 -12.885 -7.591 1.00 0.00 H new ATOM 0 HD2 TYR A 46 7.452 -9.507 -4.943 1.00 0.00 H new ATOM 0 HE1 TYR A 46 7.508 -14.414 -5.648 1.00 0.00 H new ATOM 0 HE2 TYR A 46 7.662 -11.032 -3.005 1.00 0.00 H new ATOM 0 HH TYR A 46 7.770 -13.146 -2.294 1.00 0.00 H new ATOM 765 N SER A 47 4.645 -12.312 -7.448 1.00 0.00 N ATOM 766 CA SER A 47 3.552 -12.810 -6.575 1.00 0.00 C ATOM 767 C SER A 47 3.918 -12.525 -5.119 1.00 0.00 C ATOM 768 O SER A 47 5.067 -12.591 -4.731 1.00 0.00 O ATOM 769 CB SER A 47 3.381 -14.315 -6.779 1.00 0.00 C ATOM 770 OG SER A 47 3.248 -14.588 -8.169 1.00 0.00 O ATOM 0 H SER A 47 5.157 -13.032 -7.958 1.00 0.00 H new ATOM 0 HA SER A 47 2.617 -12.309 -6.826 1.00 0.00 H new ATOM 0 HB2 SER A 47 4.240 -14.849 -6.372 1.00 0.00 H new ATOM 0 HB3 SER A 47 2.502 -14.669 -6.241 1.00 0.00 H new ATOM 0 HG SER A 47 3.140 -15.553 -8.304 1.00 0.00 H new ATOM 776 N TYR A 48 2.950 -12.200 -4.315 1.00 0.00 N ATOM 777 CA TYR A 48 3.236 -11.900 -2.883 1.00 0.00 C ATOM 778 C TYR A 48 3.785 -13.142 -2.173 1.00 0.00 C ATOM 779 O TYR A 48 4.217 -14.091 -2.796 1.00 0.00 O ATOM 780 CB TYR A 48 1.951 -11.458 -2.189 1.00 0.00 C ATOM 781 CG TYR A 48 1.510 -10.112 -2.718 1.00 0.00 C ATOM 782 CD1 TYR A 48 0.993 -9.996 -4.016 1.00 0.00 C ATOM 783 CD2 TYR A 48 1.615 -8.977 -1.906 1.00 0.00 C ATOM 784 CE1 TYR A 48 0.583 -8.749 -4.497 1.00 0.00 C ATOM 785 CE2 TYR A 48 1.202 -7.730 -2.388 1.00 0.00 C ATOM 786 CZ TYR A 48 0.685 -7.617 -3.684 1.00 0.00 C ATOM 787 OH TYR A 48 0.272 -6.390 -4.159 1.00 0.00 O ATOM 0 H TYR A 48 1.969 -12.128 -4.585 1.00 0.00 H new ATOM 0 HA TYR A 48 3.980 -11.105 -2.836 1.00 0.00 H new ATOM 0 HB2 TYR A 48 1.167 -12.197 -2.354 1.00 0.00 H new ATOM 0 HB3 TYR A 48 2.112 -11.399 -1.113 1.00 0.00 H new ATOM 0 HD1 TYR A 48 0.911 -10.870 -4.645 1.00 0.00 H new ATOM 0 HD2 TYR A 48 2.015 -9.064 -0.907 1.00 0.00 H new ATOM 0 HE1 TYR A 48 0.187 -8.660 -5.498 1.00 0.00 H new ATOM 0 HE2 TYR A 48 1.282 -6.855 -1.760 1.00 0.00 H new ATOM 0 HH TYR A 48 -0.483 -6.069 -3.623 1.00 0.00 H new ATOM 797 N THR A 49 3.770 -13.132 -0.866 1.00 0.00 N ATOM 798 CA THR A 49 4.286 -14.299 -0.091 1.00 0.00 C ATOM 799 C THR A 49 3.242 -15.418 -0.090 1.00 0.00 C ATOM 800 O THR A 49 2.053 -15.172 -0.116 1.00 0.00 O ATOM 801 CB THR A 49 4.567 -13.869 1.350 1.00 0.00 C ATOM 802 OG1 THR A 49 5.468 -12.771 1.348 1.00 0.00 O ATOM 803 CG2 THR A 49 5.181 -15.037 2.123 1.00 0.00 C ATOM 0 H THR A 49 3.420 -12.360 -0.298 1.00 0.00 H new ATOM 0 HA THR A 49 5.205 -14.660 -0.552 1.00 0.00 H new ATOM 0 HB THR A 49 3.634 -13.572 1.829 1.00 0.00 H new ATOM 0 HG1 THR A 49 5.370 -12.269 0.512 1.00 0.00 H new ATOM 0 HG21 THR A 49 5.381 -14.729 3.149 1.00 0.00 H new ATOM 0 HG22 THR A 49 4.487 -15.877 2.125 1.00 0.00 H new ATOM 0 HG23 THR A 49 6.114 -15.338 1.647 1.00 0.00 H new ATOM 811 N ASP A 50 3.677 -16.649 -0.068 1.00 0.00 N ATOM 812 CA ASP A 50 2.708 -17.781 -0.075 1.00 0.00 C ATOM 813 C ASP A 50 1.632 -17.557 0.991 1.00 0.00 C ATOM 814 O ASP A 50 0.470 -17.837 0.776 1.00 0.00 O ATOM 815 CB ASP A 50 3.450 -19.086 0.220 1.00 0.00 C ATOM 816 CG ASP A 50 2.509 -20.271 -0.004 1.00 0.00 C ATOM 817 OD1 ASP A 50 1.405 -20.046 -0.472 1.00 0.00 O ATOM 818 OD2 ASP A 50 2.908 -21.385 0.296 1.00 0.00 O ATOM 0 H ASP A 50 4.660 -16.919 -0.046 1.00 0.00 H new ATOM 0 HA ASP A 50 2.234 -17.839 -1.055 1.00 0.00 H new ATOM 0 HB2 ASP A 50 4.323 -19.174 -0.427 1.00 0.00 H new ATOM 0 HB3 ASP A 50 3.813 -19.086 1.248 1.00 0.00 H new ATOM 823 N ALA A 51 1.999 -17.049 2.138 1.00 0.00 N ATOM 824 CA ALA A 51 0.977 -16.812 3.198 1.00 0.00 C ATOM 825 C ALA A 51 -0.003 -15.743 2.716 1.00 0.00 C ATOM 826 O ALA A 51 -1.200 -15.946 2.689 1.00 0.00 O ATOM 827 CB ALA A 51 1.669 -16.334 4.477 1.00 0.00 C ATOM 0 H ALA A 51 2.954 -16.790 2.385 1.00 0.00 H new ATOM 0 HA ALA A 51 0.439 -17.737 3.405 1.00 0.00 H new ATOM 0 HB1 ALA A 51 0.922 -16.161 5.252 1.00 0.00 H new ATOM 0 HB2 ALA A 51 2.373 -17.094 4.815 1.00 0.00 H new ATOM 0 HB3 ALA A 51 2.205 -15.406 4.276 1.00 0.00 H new ATOM 833 N ASN A 52 0.505 -14.611 2.322 1.00 0.00 N ATOM 834 CA ASN A 52 -0.378 -13.523 1.822 1.00 0.00 C ATOM 835 C ASN A 52 -1.194 -14.032 0.635 1.00 0.00 C ATOM 836 O ASN A 52 -2.376 -13.776 0.524 1.00 0.00 O ATOM 837 CB ASN A 52 0.494 -12.348 1.377 1.00 0.00 C ATOM 838 CG ASN A 52 -0.385 -11.232 0.817 1.00 0.00 C ATOM 839 OD1 ASN A 52 -1.596 -11.327 0.836 1.00 0.00 O ATOM 840 ND2 ASN A 52 0.181 -10.170 0.316 1.00 0.00 N ATOM 0 H ASN A 52 1.501 -14.391 2.325 1.00 0.00 H new ATOM 0 HA ASN A 52 -1.058 -13.203 2.612 1.00 0.00 H new ATOM 0 HB2 ASN A 52 1.076 -11.976 2.220 1.00 0.00 H new ATOM 0 HB3 ASN A 52 1.205 -12.678 0.619 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -0.393 -9.416 -0.061 1.00 0.00 H new ATOM 0 HD22 ASN A 52 1.198 -10.093 0.301 1.00 0.00 H new ATOM 847 N ILE A 53 -0.573 -14.756 -0.252 1.00 0.00 N ATOM 848 CA ILE A 53 -1.312 -15.287 -1.430 1.00 0.00 C ATOM 849 C ILE A 53 -2.394 -16.258 -0.962 1.00 0.00 C ATOM 850 O ILE A 53 -3.470 -16.316 -1.521 1.00 0.00 O ATOM 851 CB ILE A 53 -0.340 -15.999 -2.364 1.00 0.00 C ATOM 852 CG1 ILE A 53 0.679 -14.987 -2.893 1.00 0.00 C ATOM 853 CG2 ILE A 53 -1.109 -16.612 -3.536 1.00 0.00 C ATOM 854 CD1 ILE A 53 1.775 -15.726 -3.663 1.00 0.00 C ATOM 0 H ILE A 53 0.416 -15.003 -0.212 1.00 0.00 H new ATOM 0 HA ILE A 53 -1.782 -14.463 -1.966 1.00 0.00 H new ATOM 0 HB ILE A 53 0.176 -16.791 -1.821 1.00 0.00 H new ATOM 0 HG12 ILE A 53 0.186 -14.264 -3.543 1.00 0.00 H new ATOM 0 HG13 ILE A 53 1.115 -14.427 -2.066 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -0.412 -17.120 -4.202 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -1.838 -17.329 -3.158 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -1.626 -15.824 -4.084 1.00 0.00 H new ATOM 0 HD11 ILE A 53 2.502 -15.007 -4.041 1.00 0.00 H new ATOM 0 HD12 ILE A 53 2.274 -16.432 -2.999 1.00 0.00 H new ATOM 0 HD13 ILE A 53 1.331 -16.267 -4.499 1.00 0.00 H new ATOM 866 N LYS A 54 -2.127 -17.014 0.070 1.00 0.00 N ATOM 867 CA LYS A 54 -3.159 -17.962 0.569 1.00 0.00 C ATOM 868 C LYS A 54 -4.429 -17.172 0.875 1.00 0.00 C ATOM 869 O LYS A 54 -5.526 -17.576 0.546 1.00 0.00 O ATOM 870 CB LYS A 54 -2.659 -18.640 1.842 1.00 0.00 C ATOM 871 CG LYS A 54 -3.708 -19.639 2.331 1.00 0.00 C ATOM 872 CD LYS A 54 -3.234 -20.280 3.636 1.00 0.00 C ATOM 873 CE LYS A 54 -4.207 -21.389 4.043 1.00 0.00 C ATOM 874 NZ LYS A 54 -3.821 -22.660 3.369 1.00 0.00 N ATOM 0 H LYS A 54 -1.246 -17.015 0.584 1.00 0.00 H new ATOM 0 HA LYS A 54 -3.363 -18.725 -0.182 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -1.716 -19.151 1.648 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -2.465 -17.894 2.612 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -4.661 -19.134 2.487 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -3.874 -20.407 1.576 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -2.232 -20.689 3.509 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -3.174 -19.528 4.422 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -4.194 -21.520 5.125 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -5.225 -21.113 3.768 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -4.482 -23.414 3.645 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -3.855 -22.530 2.338 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -2.856 -22.924 3.653 1.00 0.00 H new ATOM 888 N LYS A 55 -4.275 -16.032 1.484 1.00 0.00 N ATOM 889 CA LYS A 55 -5.448 -15.182 1.800 1.00 0.00 C ATOM 890 C LYS A 55 -5.562 -14.098 0.728 1.00 0.00 C ATOM 891 O LYS A 55 -4.636 -13.345 0.502 1.00 0.00 O ATOM 892 CB LYS A 55 -5.234 -14.533 3.166 1.00 0.00 C ATOM 893 CG LYS A 55 -5.264 -15.607 4.255 1.00 0.00 C ATOM 894 CD LYS A 55 -5.161 -14.944 5.629 1.00 0.00 C ATOM 895 CE LYS A 55 -5.071 -16.021 6.712 1.00 0.00 C ATOM 896 NZ LYS A 55 -6.253 -16.923 6.614 1.00 0.00 N ATOM 0 H LYS A 55 -3.376 -15.651 1.778 1.00 0.00 H new ATOM 0 HA LYS A 55 -6.360 -15.779 1.821 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -4.279 -14.008 3.185 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -6.010 -13.790 3.352 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -6.186 -16.184 4.186 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -4.440 -16.306 4.114 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -4.283 -14.300 5.668 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -6.030 -14.309 5.804 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -4.152 -16.594 6.594 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -5.034 -15.558 7.698 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -6.362 -17.451 7.504 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -7.108 -16.357 6.440 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -6.115 -17.592 5.829 1.00 0.00 H new ATOM 910 N ASN A 56 -6.680 -14.015 0.059 1.00 0.00 N ATOM 911 CA ASN A 56 -6.836 -12.982 -1.005 1.00 0.00 C ATOM 912 C ASN A 56 -8.122 -12.185 -0.777 1.00 0.00 C ATOM 913 O ASN A 56 -9.187 -12.738 -0.588 1.00 0.00 O ATOM 914 CB ASN A 56 -6.879 -13.672 -2.368 1.00 0.00 C ATOM 915 CG ASN A 56 -8.195 -14.438 -2.522 1.00 0.00 C ATOM 916 OD1 ASN A 56 -8.822 -14.795 -1.544 1.00 0.00 O ATOM 917 ND2 ASN A 56 -8.644 -14.705 -3.717 1.00 0.00 N ATOM 0 H ASN A 56 -7.491 -14.617 0.203 1.00 0.00 H new ATOM 0 HA ASN A 56 -5.992 -12.293 -0.973 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -6.783 -12.932 -3.163 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -6.036 -14.356 -2.466 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -9.521 -15.213 -3.831 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -8.118 -14.406 -4.538 1.00 0.00 H new ATOM 924 N VAL A 57 -8.026 -10.882 -0.782 1.00 0.00 N ATOM 925 CA VAL A 57 -9.232 -10.040 -0.557 1.00 0.00 C ATOM 926 C VAL A 57 -9.242 -8.864 -1.531 1.00 0.00 C ATOM 927 O VAL A 57 -8.237 -8.217 -1.744 1.00 0.00 O ATOM 928 CB VAL A 57 -9.209 -9.507 0.874 1.00 0.00 C ATOM 929 CG1 VAL A 57 -10.480 -8.701 1.144 1.00 0.00 C ATOM 930 CG2 VAL A 57 -9.126 -10.678 1.855 1.00 0.00 C ATOM 0 H VAL A 57 -7.160 -10.365 -0.933 1.00 0.00 H new ATOM 0 HA VAL A 57 -10.125 -10.643 -0.718 1.00 0.00 H new ATOM 0 HB VAL A 57 -8.340 -8.862 1.005 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -10.460 -8.322 2.166 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -10.535 -7.864 0.448 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -11.352 -9.341 1.011 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -9.110 -10.297 2.876 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -9.993 -11.325 1.723 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -8.216 -11.247 1.666 1.00 0.00 H new ATOM 940 N LEU A 58 -10.376 -8.563 -2.104 1.00 0.00 N ATOM 941 CA LEU A 58 -10.445 -7.413 -3.044 1.00 0.00 C ATOM 942 C LEU A 58 -9.894 -6.178 -2.345 1.00 0.00 C ATOM 943 O LEU A 58 -10.073 -5.995 -1.158 1.00 0.00 O ATOM 944 CB LEU A 58 -11.893 -7.158 -3.446 1.00 0.00 C ATOM 945 CG LEU A 58 -11.949 -5.977 -4.417 1.00 0.00 C ATOM 946 CD1 LEU A 58 -11.198 -6.334 -5.701 1.00 0.00 C ATOM 947 CD2 LEU A 58 -13.409 -5.675 -4.755 1.00 0.00 C ATOM 0 H LEU A 58 -11.253 -9.063 -1.961 1.00 0.00 H new ATOM 0 HA LEU A 58 -9.861 -7.634 -3.937 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -12.315 -8.048 -3.913 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -12.496 -6.946 -2.563 1.00 0.00 H new ATOM 0 HG LEU A 58 -11.487 -5.104 -3.957 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -11.238 -5.492 -6.392 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -10.158 -6.559 -5.464 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -11.662 -7.206 -6.163 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -13.456 -4.834 -5.447 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -13.864 -6.551 -5.217 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -13.949 -5.424 -3.842 1.00 0.00 H new ATOM 959 N TRP A 59 -9.215 -5.334 -3.067 1.00 0.00 N ATOM 960 CA TRP A 59 -8.645 -4.123 -2.435 1.00 0.00 C ATOM 961 C TRP A 59 -9.521 -2.905 -2.715 1.00 0.00 C ATOM 962 O TRP A 59 -10.083 -2.753 -3.779 1.00 0.00 O ATOM 963 CB TRP A 59 -7.238 -3.883 -2.973 1.00 0.00 C ATOM 964 CG TRP A 59 -6.277 -4.712 -2.190 1.00 0.00 C ATOM 965 CD1 TRP A 59 -5.463 -5.661 -2.706 1.00 0.00 C ATOM 966 CD2 TRP A 59 -6.032 -4.692 -0.756 1.00 0.00 C ATOM 967 NE1 TRP A 59 -4.713 -6.209 -1.679 1.00 0.00 N ATOM 968 CE2 TRP A 59 -5.033 -5.647 -0.458 1.00 0.00 C ATOM 969 CE3 TRP A 59 -6.570 -3.941 0.305 1.00 0.00 C ATOM 970 CZ2 TRP A 59 -4.584 -5.848 0.847 1.00 0.00 C ATOM 971 CZ3 TRP A 59 -6.123 -4.145 1.618 1.00 0.00 C ATOM 972 CH2 TRP A 59 -5.131 -5.097 1.888 1.00 0.00 C ATOM 0 H TRP A 59 -9.032 -5.433 -4.066 1.00 0.00 H new ATOM 0 HA TRP A 59 -8.604 -4.277 -1.357 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -7.188 -4.145 -4.030 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -6.978 -2.827 -2.893 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -5.407 -5.944 -3.747 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -4.011 -6.938 -1.808 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -7.333 -3.202 0.107 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -3.817 -6.581 1.051 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -6.545 -3.565 2.425 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -4.790 -5.249 2.901 1.00 0.00 H new ATOM 983 N ASP A 60 -9.631 -2.034 -1.753 1.00 0.00 N ATOM 984 CA ASP A 60 -10.458 -0.811 -1.928 1.00 0.00 C ATOM 985 C ASP A 60 -9.770 0.347 -1.208 1.00 0.00 C ATOM 986 O ASP A 60 -8.935 0.144 -0.348 1.00 0.00 O ATOM 987 CB ASP A 60 -11.847 -1.039 -1.327 1.00 0.00 C ATOM 988 CG ASP A 60 -12.752 0.147 -1.669 1.00 0.00 C ATOM 989 OD1 ASP A 60 -13.312 0.146 -2.753 1.00 0.00 O ATOM 990 OD2 ASP A 60 -12.868 1.035 -0.841 1.00 0.00 O ATOM 0 H ASP A 60 -9.178 -2.119 -0.843 1.00 0.00 H new ATOM 0 HA ASP A 60 -10.565 -0.581 -2.988 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -12.276 -1.962 -1.717 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -11.773 -1.154 -0.246 1.00 0.00 H new ATOM 995 N GLU A 61 -10.101 1.557 -1.548 1.00 0.00 N ATOM 996 CA GLU A 61 -9.450 2.714 -0.879 1.00 0.00 C ATOM 997 C GLU A 61 -9.622 2.582 0.635 1.00 0.00 C ATOM 998 O GLU A 61 -8.726 2.879 1.400 1.00 0.00 O ATOM 999 CB GLU A 61 -10.119 4.003 -1.354 1.00 0.00 C ATOM 1000 CG GLU A 61 -9.949 4.133 -2.867 1.00 0.00 C ATOM 1001 CD GLU A 61 -10.609 5.427 -3.344 1.00 0.00 C ATOM 1002 OE1 GLU A 61 -11.271 6.061 -2.540 1.00 0.00 O ATOM 1003 OE2 GLU A 61 -10.442 5.760 -4.505 1.00 0.00 O ATOM 0 H GLU A 61 -10.793 1.796 -2.259 1.00 0.00 H new ATOM 0 HA GLU A 61 -8.388 2.737 -1.125 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -11.178 3.993 -1.095 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -9.676 4.863 -0.852 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -8.890 4.135 -3.126 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -10.398 3.276 -3.369 1.00 0.00 H new ATOM 1010 N ASN A 62 -10.764 2.130 1.072 1.00 0.00 N ATOM 1011 CA ASN A 62 -10.992 1.972 2.536 1.00 0.00 C ATOM 1012 C ASN A 62 -10.252 0.730 3.046 1.00 0.00 C ATOM 1013 O ASN A 62 -9.588 0.767 4.062 1.00 0.00 O ATOM 1014 CB ASN A 62 -12.490 1.816 2.802 1.00 0.00 C ATOM 1015 CG ASN A 62 -12.766 2.008 4.295 1.00 0.00 C ATOM 1016 OD1 ASN A 62 -11.854 2.212 5.071 1.00 0.00 O ATOM 1017 ND2 ASN A 62 -13.995 1.951 4.732 1.00 0.00 N ATOM 0 H ASN A 62 -11.550 1.863 0.479 1.00 0.00 H new ATOM 0 HA ASN A 62 -10.616 2.853 3.056 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -13.051 2.547 2.221 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -12.826 0.829 2.483 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -14.190 2.078 5.725 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -14.761 1.780 4.080 1.00 0.00 H new ATOM 1024 N ASN A 63 -10.369 -0.371 2.352 1.00 0.00 N ATOM 1025 CA ASN A 63 -9.682 -1.614 2.802 1.00 0.00 C ATOM 1026 C ASN A 63 -8.169 -1.401 2.815 1.00 0.00 C ATOM 1027 O ASN A 63 -7.479 -1.812 3.731 1.00 0.00 O ATOM 1028 CB ASN A 63 -10.027 -2.751 1.842 1.00 0.00 C ATOM 1029 CG ASN A 63 -11.527 -3.047 1.913 1.00 0.00 C ATOM 1030 OD1 ASN A 63 -12.188 -2.665 2.858 1.00 0.00 O ATOM 1031 ND2 ASN A 63 -12.094 -3.715 0.947 1.00 0.00 N ATOM 0 H ASN A 63 -10.911 -0.462 1.493 1.00 0.00 H new ATOM 0 HA ASN A 63 -10.013 -1.865 3.810 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -9.748 -2.478 0.824 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -9.457 -3.644 2.100 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -13.093 -3.917 0.985 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -11.538 -4.035 0.154 1.00 0.00 H new ATOM 1038 N MET A 64 -7.642 -0.761 1.810 1.00 0.00 N ATOM 1039 CA MET A 64 -6.177 -0.526 1.773 1.00 0.00 C ATOM 1040 C MET A 64 -5.766 0.336 2.963 1.00 0.00 C ATOM 1041 O MET A 64 -4.719 0.143 3.547 1.00 0.00 O ATOM 1042 CB MET A 64 -5.802 0.180 0.470 1.00 0.00 C ATOM 1043 CG MET A 64 -5.940 -0.794 -0.702 1.00 0.00 C ATOM 1044 SD MET A 64 -5.034 -0.147 -2.129 1.00 0.00 S ATOM 1045 CE MET A 64 -3.366 -0.557 -1.547 1.00 0.00 C ATOM 0 H MET A 64 -8.163 -0.392 1.015 1.00 0.00 H new ATOM 0 HA MET A 64 -5.657 -1.482 1.825 1.00 0.00 H new ATOM 0 HB2 MET A 64 -6.447 1.045 0.315 1.00 0.00 H new ATOM 0 HB3 MET A 64 -4.779 0.552 0.528 1.00 0.00 H new ATOM 0 HG2 MET A 64 -5.551 -1.773 -0.423 1.00 0.00 H new ATOM 0 HG3 MET A 64 -6.991 -0.929 -0.955 1.00 0.00 H new ATOM 0 HE1 MET A 64 -2.649 -0.388 -2.350 1.00 0.00 H new ATOM 0 HE2 MET A 64 -3.113 0.074 -0.695 1.00 0.00 H new ATOM 0 HE3 MET A 64 -3.333 -1.604 -1.246 1.00 0.00 H new ATOM 1055 N SER A 65 -6.582 1.282 3.335 1.00 0.00 N ATOM 1056 CA SER A 65 -6.229 2.147 4.492 1.00 0.00 C ATOM 1057 C SER A 65 -5.950 1.267 5.710 1.00 0.00 C ATOM 1058 O SER A 65 -5.067 1.541 6.499 1.00 0.00 O ATOM 1059 CB SER A 65 -7.393 3.091 4.797 1.00 0.00 C ATOM 1060 OG SER A 65 -6.983 4.046 5.766 1.00 0.00 O ATOM 0 H SER A 65 -7.475 1.492 2.889 1.00 0.00 H new ATOM 0 HA SER A 65 -5.342 2.734 4.255 1.00 0.00 H new ATOM 0 HB2 SER A 65 -7.715 3.596 3.886 1.00 0.00 H new ATOM 0 HB3 SER A 65 -8.248 2.525 5.167 1.00 0.00 H new ATOM 0 HG SER A 65 -7.727 4.653 5.962 1.00 0.00 H new ATOM 1066 N GLU A 66 -6.692 0.206 5.867 1.00 0.00 N ATOM 1067 CA GLU A 66 -6.461 -0.688 7.032 1.00 0.00 C ATOM 1068 C GLU A 66 -5.065 -1.308 6.929 1.00 0.00 C ATOM 1069 O GLU A 66 -4.371 -1.459 7.914 1.00 0.00 O ATOM 1070 CB GLU A 66 -7.510 -1.804 7.037 1.00 0.00 C ATOM 1071 CG GLU A 66 -8.900 -1.199 7.238 1.00 0.00 C ATOM 1072 CD GLU A 66 -9.938 -2.320 7.318 1.00 0.00 C ATOM 1073 OE1 GLU A 66 -9.577 -3.454 7.052 1.00 0.00 O ATOM 1074 OE2 GLU A 66 -11.077 -2.024 7.642 1.00 0.00 O ATOM 0 H GLU A 66 -7.445 -0.079 5.241 1.00 0.00 H new ATOM 0 HA GLU A 66 -6.539 -0.110 7.953 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -7.474 -2.355 6.097 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -7.294 -2.517 7.833 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -8.921 -0.604 8.151 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -9.138 -0.527 6.414 1.00 0.00 H new ATOM 1081 N TYR A 67 -4.648 -1.672 5.746 1.00 0.00 N ATOM 1082 CA TYR A 67 -3.296 -2.286 5.597 1.00 0.00 C ATOM 1083 C TYR A 67 -2.209 -1.259 5.917 1.00 0.00 C ATOM 1084 O TYR A 67 -1.257 -1.551 6.610 1.00 0.00 O ATOM 1085 CB TYR A 67 -3.097 -2.784 4.169 1.00 0.00 C ATOM 1086 CG TYR A 67 -1.783 -3.526 4.097 1.00 0.00 C ATOM 1087 CD1 TYR A 67 -1.739 -4.901 4.365 1.00 0.00 C ATOM 1088 CD2 TYR A 67 -0.607 -2.838 3.776 1.00 0.00 C ATOM 1089 CE1 TYR A 67 -0.520 -5.586 4.311 1.00 0.00 C ATOM 1090 CE2 TYR A 67 0.613 -3.524 3.722 1.00 0.00 C ATOM 1091 CZ TYR A 67 0.657 -4.897 3.991 1.00 0.00 C ATOM 1092 OH TYR A 67 1.858 -5.573 3.937 1.00 0.00 O ATOM 0 H TYR A 67 -5.180 -1.572 4.882 1.00 0.00 H new ATOM 0 HA TYR A 67 -3.224 -3.123 6.291 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -3.918 -3.439 3.879 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -3.097 -1.946 3.472 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -2.646 -5.432 4.613 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -0.640 -1.778 3.570 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -0.487 -6.646 4.516 1.00 0.00 H new ATOM 0 HE2 TYR A 67 1.520 -2.993 3.473 1.00 0.00 H new ATOM 0 HH TYR A 67 1.857 -6.295 4.600 1.00 0.00 H new ATOM 1102 N LEU A 68 -2.333 -0.061 5.413 1.00 0.00 N ATOM 1103 CA LEU A 68 -1.290 0.965 5.687 1.00 0.00 C ATOM 1104 C LEU A 68 -1.059 1.070 7.193 1.00 0.00 C ATOM 1105 O LEU A 68 0.045 1.305 7.644 1.00 0.00 O ATOM 1106 CB LEU A 68 -1.742 2.319 5.138 1.00 0.00 C ATOM 1107 CG LEU A 68 -1.470 2.400 3.630 1.00 0.00 C ATOM 1108 CD1 LEU A 68 -2.536 1.613 2.868 1.00 0.00 C ATOM 1109 CD2 LEU A 68 -1.512 3.862 3.186 1.00 0.00 C ATOM 0 H LEU A 68 -3.108 0.249 4.826 1.00 0.00 H new ATOM 0 HA LEU A 68 -0.360 0.674 5.199 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -2.805 2.461 5.331 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -1.215 3.122 5.653 1.00 0.00 H new ATOM 0 HG LEU A 68 -0.488 1.977 3.419 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -2.338 1.674 1.798 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -2.512 0.570 3.183 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -3.519 2.033 3.079 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -1.319 3.923 2.115 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -2.495 4.280 3.402 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -0.751 4.428 3.724 1.00 0.00 H new ATOM 1121 N THR A 69 -2.080 0.886 7.980 1.00 0.00 N ATOM 1122 CA THR A 69 -1.896 0.963 9.449 1.00 0.00 C ATOM 1123 C THR A 69 -0.727 0.057 9.837 1.00 0.00 C ATOM 1124 O THR A 69 0.063 0.372 10.705 1.00 0.00 O ATOM 1125 CB THR A 69 -3.173 0.486 10.139 1.00 0.00 C ATOM 1126 OG1 THR A 69 -4.286 1.198 9.618 1.00 0.00 O ATOM 1127 CG2 THR A 69 -3.063 0.738 11.637 1.00 0.00 C ATOM 0 H THR A 69 -3.030 0.686 7.668 1.00 0.00 H new ATOM 0 HA THR A 69 -1.687 1.988 9.755 1.00 0.00 H new ATOM 0 HB THR A 69 -3.308 -0.580 9.959 1.00 0.00 H new ATOM 0 HG1 THR A 69 -4.717 0.665 8.918 1.00 0.00 H new ATOM 0 HG21 THR A 69 -3.973 0.398 12.131 1.00 0.00 H new ATOM 0 HG22 THR A 69 -2.208 0.192 12.036 1.00 0.00 H new ATOM 0 HG23 THR A 69 -2.929 1.804 11.818 1.00 0.00 H new ATOM 1135 N ASN A 70 -0.611 -1.065 9.182 1.00 0.00 N ATOM 1136 CA ASN A 70 0.504 -2.007 9.479 1.00 0.00 C ATOM 1137 C ASN A 70 1.020 -2.583 8.158 1.00 0.00 C ATOM 1138 O ASN A 70 0.936 -1.951 7.125 1.00 0.00 O ATOM 1139 CB ASN A 70 -0.005 -3.141 10.370 1.00 0.00 C ATOM 1140 CG ASN A 70 1.185 -3.889 10.974 1.00 0.00 C ATOM 1141 OD1 ASN A 70 2.323 -3.573 10.692 1.00 0.00 O ATOM 1142 ND2 ASN A 70 0.968 -4.877 11.800 1.00 0.00 N ATOM 0 H ASN A 70 -1.248 -1.372 8.447 1.00 0.00 H new ATOM 0 HA ASN A 70 1.307 -1.483 9.997 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -0.636 -2.739 11.163 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -0.621 -3.826 9.788 1.00 0.00 H new ATOM 0 HD21 ASN A 70 1.754 -5.383 12.208 1.00 0.00 H new ATOM 0 HD22 ASN A 70 0.012 -5.143 12.037 1.00 0.00 H new ATOM 1149 N HIS A 71 1.547 -3.776 8.176 1.00 0.00 N ATOM 1150 CA HIS A 71 2.051 -4.383 6.911 1.00 0.00 C ATOM 1151 C HIS A 71 1.609 -5.844 6.838 1.00 0.00 C ATOM 1152 O HIS A 71 2.048 -6.594 5.990 1.00 0.00 O ATOM 1153 CB HIS A 71 3.577 -4.313 6.867 1.00 0.00 C ATOM 1154 CG HIS A 71 4.006 -3.476 5.694 1.00 0.00 C ATOM 1155 ND1 HIS A 71 4.340 -2.134 5.832 1.00 0.00 N ATOM 1156 CD2 HIS A 71 4.163 -3.767 4.354 1.00 0.00 C ATOM 1157 CE1 HIS A 71 4.677 -1.672 4.615 1.00 0.00 C ATOM 1158 NE2 HIS A 71 4.584 -2.624 3.687 1.00 0.00 N ATOM 0 H HIS A 71 1.651 -4.356 9.009 1.00 0.00 H new ATOM 0 HA HIS A 71 1.644 -3.831 6.064 1.00 0.00 H new ATOM 0 HB2 HIS A 71 3.959 -3.883 7.793 1.00 0.00 H new ATOM 0 HB3 HIS A 71 3.996 -5.316 6.784 1.00 0.00 H new ATOM 0 HD1 HIS A 71 4.331 -1.597 6.699 1.00 0.00 H new ATOM 0 HD2 HIS A 71 3.987 -4.730 3.897 1.00 0.00 H new ATOM 0 HE1 HIS A 71 4.985 -0.656 4.415 1.00 0.00 H new ATOM 1166 N ALA A 72 0.745 -6.255 7.723 1.00 0.00 N ATOM 1167 CA ALA A 72 0.280 -7.668 7.701 1.00 0.00 C ATOM 1168 C ALA A 72 -0.893 -7.840 8.666 1.00 0.00 C ATOM 1169 O ALA A 72 -1.450 -8.912 8.791 1.00 0.00 O ATOM 1170 CB ALA A 72 1.425 -8.587 8.124 1.00 0.00 C ATOM 0 H ALA A 72 0.342 -5.675 8.459 1.00 0.00 H new ATOM 0 HA ALA A 72 -0.042 -7.926 6.692 1.00 0.00 H new ATOM 0 HB1 ALA A 72 1.085 -9.623 8.108 1.00 0.00 H new ATOM 0 HB2 ALA A 72 2.260 -8.469 7.434 1.00 0.00 H new ATOM 0 HB3 ALA A 72 1.747 -8.326 9.132 1.00 0.00 H new ATOM 1176 N LYS A 73 -1.279 -6.795 9.346 1.00 0.00 N ATOM 1177 CA LYS A 73 -2.421 -6.919 10.291 1.00 0.00 C ATOM 1178 C LYS A 73 -3.632 -7.444 9.522 1.00 0.00 C ATOM 1179 O LYS A 73 -4.339 -8.322 9.977 1.00 0.00 O ATOM 1180 CB LYS A 73 -2.746 -5.548 10.889 1.00 0.00 C ATOM 1181 CG LYS A 73 -3.826 -5.700 11.961 1.00 0.00 C ATOM 1182 CD LYS A 73 -4.193 -4.322 12.516 1.00 0.00 C ATOM 1183 CE LYS A 73 -5.150 -4.485 13.698 1.00 0.00 C ATOM 1184 NZ LYS A 73 -5.977 -3.255 13.841 1.00 0.00 N ATOM 0 H LYS A 73 -0.856 -5.869 9.288 1.00 0.00 H new ATOM 0 HA LYS A 73 -2.165 -7.605 11.098 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -1.848 -5.107 11.322 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -3.088 -4.871 10.107 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -4.708 -6.180 11.538 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -3.468 -6.344 12.764 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -3.293 -3.795 12.833 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -4.659 -3.717 11.738 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -5.792 -5.352 13.543 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -4.587 -4.666 14.613 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -6.628 -3.366 14.645 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -5.357 -2.437 14.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -6.525 -3.102 12.970 1.00 0.00 H new ATOM 1198 N TYR A 74 -3.864 -6.926 8.348 1.00 0.00 N ATOM 1199 CA TYR A 74 -5.013 -7.407 7.534 1.00 0.00 C ATOM 1200 C TYR A 74 -4.762 -8.870 7.162 1.00 0.00 C ATOM 1201 O TYR A 74 -5.667 -9.680 7.125 1.00 0.00 O ATOM 1202 CB TYR A 74 -5.129 -6.564 6.263 1.00 0.00 C ATOM 1203 CG TYR A 74 -6.426 -6.886 5.561 1.00 0.00 C ATOM 1204 CD1 TYR A 74 -7.587 -6.173 5.881 1.00 0.00 C ATOM 1205 CD2 TYR A 74 -6.468 -7.893 4.590 1.00 0.00 C ATOM 1206 CE1 TYR A 74 -8.791 -6.466 5.232 1.00 0.00 C ATOM 1207 CE2 TYR A 74 -7.672 -8.187 3.939 1.00 0.00 C ATOM 1208 CZ TYR A 74 -8.834 -7.474 4.260 1.00 0.00 C ATOM 1209 OH TYR A 74 -10.021 -7.764 3.619 1.00 0.00 O ATOM 0 H TYR A 74 -3.306 -6.189 7.917 1.00 0.00 H new ATOM 0 HA TYR A 74 -5.939 -7.319 8.101 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -5.092 -5.504 6.513 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -4.286 -6.765 5.602 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -7.553 -5.396 6.630 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -5.572 -8.443 4.343 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -9.687 -5.916 5.480 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -7.705 -8.964 3.189 1.00 0.00 H new ATOM 0 HH TYR A 74 -10.304 -8.673 3.850 1.00 0.00 H new ATOM 1219 N ILE A 75 -3.527 -9.206 6.888 1.00 0.00 N ATOM 1220 CA ILE A 75 -3.186 -10.610 6.517 1.00 0.00 C ATOM 1221 C ILE A 75 -2.137 -11.147 7.500 1.00 0.00 C ATOM 1222 O ILE A 75 -0.954 -11.140 7.225 1.00 0.00 O ATOM 1223 CB ILE A 75 -2.610 -10.637 5.095 1.00 0.00 C ATOM 1224 CG1 ILE A 75 -2.361 -9.205 4.620 1.00 0.00 C ATOM 1225 CG2 ILE A 75 -3.591 -11.324 4.145 1.00 0.00 C ATOM 1226 CD1 ILE A 75 -1.547 -9.236 3.325 1.00 0.00 C ATOM 0 H ILE A 75 -2.736 -8.562 6.906 1.00 0.00 H new ATOM 0 HA ILE A 75 -4.082 -11.229 6.557 1.00 0.00 H new ATOM 0 HB ILE A 75 -1.672 -11.191 5.101 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -3.310 -8.694 4.455 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -1.826 -8.643 5.386 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -3.173 -11.338 3.138 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -3.766 -12.346 4.480 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -4.534 -10.778 4.139 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -1.368 -8.217 2.983 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -0.593 -9.731 3.507 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -2.100 -9.783 2.561 1.00 0.00 H new ATOM 1238 N PRO A 76 -2.570 -11.601 8.644 1.00 0.00 N ATOM 1239 CA PRO A 76 -1.653 -12.146 9.685 1.00 0.00 C ATOM 1240 C PRO A 76 -0.775 -13.275 9.143 1.00 0.00 C ATOM 1241 O PRO A 76 -1.208 -14.089 8.352 1.00 0.00 O ATOM 1242 CB PRO A 76 -2.591 -12.672 10.776 1.00 0.00 C ATOM 1243 CG PRO A 76 -3.896 -11.978 10.558 1.00 0.00 C ATOM 1244 CD PRO A 76 -3.975 -11.647 9.068 1.00 0.00 C ATOM 0 HA PRO A 76 -0.960 -11.386 10.046 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -2.706 -13.754 10.705 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -2.195 -12.458 11.769 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -4.728 -12.616 10.857 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -3.957 -11.071 11.160 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -4.534 -12.405 8.519 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -4.476 -10.694 8.896 1.00 0.00 H new ATOM 1252 N GLY A 77 0.460 -13.325 9.560 1.00 0.00 N ATOM 1253 CA GLY A 77 1.369 -14.394 9.065 1.00 0.00 C ATOM 1254 C GLY A 77 2.049 -13.918 7.782 1.00 0.00 C ATOM 1255 O GLY A 77 2.741 -14.664 7.119 1.00 0.00 O ATOM 0 H GLY A 77 0.878 -12.671 10.222 1.00 0.00 H new ATOM 0 HA2 GLY A 77 2.117 -14.631 9.821 1.00 0.00 H new ATOM 0 HA3 GLY A 77 0.806 -15.308 8.875 1.00 0.00 H new ATOM 1259 N THR A 78 1.854 -12.677 7.423 1.00 0.00 N ATOM 1260 CA THR A 78 2.485 -12.153 6.182 1.00 0.00 C ATOM 1261 C THR A 78 3.801 -11.452 6.528 1.00 0.00 C ATOM 1262 O THR A 78 4.068 -11.133 7.670 1.00 0.00 O ATOM 1263 CB THR A 78 1.536 -11.165 5.499 1.00 0.00 C ATOM 1264 OG1 THR A 78 0.489 -11.885 4.864 1.00 0.00 O ATOM 1265 CG2 THR A 78 2.304 -10.355 4.453 1.00 0.00 C ATOM 0 H THR A 78 1.284 -12.005 7.937 1.00 0.00 H new ATOM 0 HA THR A 78 2.689 -12.982 5.504 1.00 0.00 H new ATOM 0 HB THR A 78 1.117 -10.488 6.243 1.00 0.00 H new ATOM 0 HG1 THR A 78 0.871 -12.599 4.312 1.00 0.00 H new ATOM 0 HG21 THR A 78 1.627 -9.652 3.968 1.00 0.00 H new ATOM 0 HG22 THR A 78 3.110 -9.805 4.939 1.00 0.00 H new ATOM 0 HG23 THR A 78 2.723 -11.029 3.706 1.00 0.00 H new ATOM 1273 N LYS A 79 4.630 -11.221 5.547 1.00 0.00 N ATOM 1274 CA LYS A 79 5.937 -10.552 5.804 1.00 0.00 C ATOM 1275 C LYS A 79 5.707 -9.121 6.298 1.00 0.00 C ATOM 1276 O LYS A 79 4.733 -8.481 5.952 1.00 0.00 O ATOM 1277 CB LYS A 79 6.736 -10.502 4.504 1.00 0.00 C ATOM 1278 CG LYS A 79 7.053 -11.921 4.033 1.00 0.00 C ATOM 1279 CD LYS A 79 7.944 -11.851 2.792 1.00 0.00 C ATOM 1280 CE LYS A 79 8.084 -13.245 2.183 1.00 0.00 C ATOM 1281 NZ LYS A 79 9.520 -13.643 2.180 1.00 0.00 N ATOM 0 H LYS A 79 4.457 -11.468 4.573 1.00 0.00 H new ATOM 0 HA LYS A 79 6.482 -11.113 6.563 1.00 0.00 H new ATOM 0 HB2 LYS A 79 6.168 -9.974 3.738 1.00 0.00 H new ATOM 0 HB3 LYS A 79 7.661 -9.945 4.656 1.00 0.00 H new ATOM 0 HG2 LYS A 79 7.555 -12.476 4.825 1.00 0.00 H new ATOM 0 HG3 LYS A 79 6.131 -12.456 3.804 1.00 0.00 H new ATOM 0 HD2 LYS A 79 7.514 -11.165 2.062 1.00 0.00 H new ATOM 0 HD3 LYS A 79 8.926 -11.459 3.058 1.00 0.00 H new ATOM 0 HE2 LYS A 79 7.497 -13.964 2.755 1.00 0.00 H new ATOM 0 HE3 LYS A 79 7.692 -13.250 1.166 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 9.616 -14.592 1.766 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 10.068 -12.962 1.617 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 9.879 -13.653 3.156 1.00 0.00 H new ATOM 1295 N MET A 80 6.603 -8.614 7.102 1.00 0.00 N ATOM 1296 CA MET A 80 6.449 -7.222 7.616 1.00 0.00 C ATOM 1297 C MET A 80 7.807 -6.515 7.592 1.00 0.00 C ATOM 1298 O MET A 80 8.843 -7.148 7.572 1.00 0.00 O ATOM 1299 CB MET A 80 5.923 -7.263 9.052 1.00 0.00 C ATOM 1300 CG MET A 80 4.527 -7.885 9.064 1.00 0.00 C ATOM 1301 SD MET A 80 3.826 -7.761 10.729 1.00 0.00 S ATOM 1302 CE MET A 80 5.113 -8.701 11.586 1.00 0.00 C ATOM 0 H MET A 80 7.437 -9.105 7.426 1.00 0.00 H new ATOM 0 HA MET A 80 5.745 -6.679 6.986 1.00 0.00 H new ATOM 0 HB2 MET A 80 6.597 -7.844 9.681 1.00 0.00 H new ATOM 0 HB3 MET A 80 5.888 -6.256 9.467 1.00 0.00 H new ATOM 0 HG2 MET A 80 3.883 -7.374 8.348 1.00 0.00 H new ATOM 0 HG3 MET A 80 4.580 -8.929 8.757 1.00 0.00 H new ATOM 0 HE1 MET A 80 4.693 -9.161 12.481 1.00 0.00 H new ATOM 0 HE2 MET A 80 5.497 -9.478 10.925 1.00 0.00 H new ATOM 0 HE3 MET A 80 5.925 -8.031 11.869 1.00 0.00 H new ATOM 1312 N ALA A 81 7.816 -5.206 7.604 1.00 0.00 N ATOM 1313 CA ALA A 81 9.118 -4.479 7.587 1.00 0.00 C ATOM 1314 C ALA A 81 8.902 -2.999 7.247 1.00 0.00 C ATOM 1315 O ALA A 81 9.255 -2.543 6.178 1.00 0.00 O ATOM 1316 CB ALA A 81 10.038 -5.111 6.541 1.00 0.00 C ATOM 0 H ALA A 81 6.985 -4.615 7.625 1.00 0.00 H new ATOM 0 HA ALA A 81 9.574 -4.550 8.575 1.00 0.00 H new ATOM 0 HB1 ALA A 81 10.991 -4.581 6.527 1.00 0.00 H new ATOM 0 HB2 ALA A 81 10.209 -6.158 6.792 1.00 0.00 H new ATOM 0 HB3 ALA A 81 9.571 -5.045 5.558 1.00 0.00 H new ATOM 1322 N PHE A 82 8.343 -2.238 8.153 1.00 0.00 N ATOM 1323 CA PHE A 82 8.133 -0.786 7.877 1.00 0.00 C ATOM 1324 C PHE A 82 8.459 0.034 9.127 1.00 0.00 C ATOM 1325 O PHE A 82 9.589 0.414 9.357 1.00 0.00 O ATOM 1326 CB PHE A 82 6.681 -0.515 7.470 1.00 0.00 C ATOM 1327 CG PHE A 82 6.508 0.971 7.279 1.00 0.00 C ATOM 1328 CD1 PHE A 82 7.004 1.590 6.125 1.00 0.00 C ATOM 1329 CD2 PHE A 82 5.875 1.734 8.267 1.00 0.00 C ATOM 1330 CE1 PHE A 82 6.861 2.972 5.957 1.00 0.00 C ATOM 1331 CE2 PHE A 82 5.737 3.115 8.101 1.00 0.00 C ATOM 1332 CZ PHE A 82 6.228 3.735 6.944 1.00 0.00 C ATOM 0 H PHE A 82 8.024 -2.558 9.068 1.00 0.00 H new ATOM 0 HA PHE A 82 8.793 -0.497 7.059 1.00 0.00 H new ATOM 0 HB2 PHE A 82 6.440 -1.046 6.549 1.00 0.00 H new ATOM 0 HB3 PHE A 82 5.998 -0.881 8.237 1.00 0.00 H new ATOM 0 HD1 PHE A 82 7.497 1.001 5.365 1.00 0.00 H new ATOM 0 HD2 PHE A 82 5.493 1.256 9.157 1.00 0.00 H new ATOM 0 HE1 PHE A 82 7.239 3.450 5.065 1.00 0.00 H new ATOM 0 HE2 PHE A 82 5.252 3.705 8.865 1.00 0.00 H new ATOM 0 HZ PHE A 82 6.118 4.802 6.814 1.00 0.00 H new ATOM 1342 N GLY A 83 7.471 0.318 9.930 1.00 0.00 N ATOM 1343 CA GLY A 83 7.710 1.123 11.161 1.00 0.00 C ATOM 1344 C GLY A 83 6.379 1.373 11.874 1.00 0.00 C ATOM 1345 O GLY A 83 5.909 0.547 12.632 1.00 0.00 O ATOM 0 H GLY A 83 6.504 0.026 9.786 1.00 0.00 H new ATOM 0 HA2 GLY A 83 8.397 0.597 11.824 1.00 0.00 H new ATOM 0 HA3 GLY A 83 8.180 2.072 10.902 1.00 0.00 H new ATOM 1349 N GLY A 84 5.764 2.505 11.644 1.00 0.00 N ATOM 1350 CA GLY A 84 4.466 2.793 12.319 1.00 0.00 C ATOM 1351 C GLY A 84 3.675 3.841 11.528 1.00 0.00 C ATOM 1352 O GLY A 84 3.583 4.987 11.922 1.00 0.00 O ATOM 0 H GLY A 84 6.104 3.238 11.021 1.00 0.00 H new ATOM 0 HA2 GLY A 84 3.882 1.876 12.406 1.00 0.00 H new ATOM 0 HA3 GLY A 84 4.647 3.153 13.332 1.00 0.00 H new ATOM 1356 N LEU A 85 3.096 3.457 10.424 1.00 0.00 N ATOM 1357 CA LEU A 85 2.302 4.427 9.616 1.00 0.00 C ATOM 1358 C LEU A 85 0.938 4.627 10.277 1.00 0.00 C ATOM 1359 O LEU A 85 0.010 5.129 9.674 1.00 0.00 O ATOM 1360 CB LEU A 85 2.108 3.877 8.202 1.00 0.00 C ATOM 1361 CG LEU A 85 1.994 5.042 7.218 1.00 0.00 C ATOM 1362 CD1 LEU A 85 3.343 5.755 7.115 1.00 0.00 C ATOM 1363 CD2 LEU A 85 1.602 4.510 5.841 1.00 0.00 C ATOM 0 H LEU A 85 3.138 2.511 10.045 1.00 0.00 H new ATOM 0 HA LEU A 85 2.829 5.380 9.562 1.00 0.00 H new ATOM 0 HB2 LEU A 85 2.947 3.237 7.930 1.00 0.00 H new ATOM 0 HB3 LEU A 85 1.210 3.261 8.159 1.00 0.00 H new ATOM 0 HG LEU A 85 1.235 5.740 7.571 1.00 0.00 H new ATOM 0 HD11 LEU A 85 3.263 6.586 6.414 1.00 0.00 H new ATOM 0 HD12 LEU A 85 3.630 6.134 8.096 1.00 0.00 H new ATOM 0 HD13 LEU A 85 4.099 5.054 6.762 1.00 0.00 H new ATOM 0 HD21 LEU A 85 1.521 5.340 5.140 1.00 0.00 H new ATOM 0 HD22 LEU A 85 2.362 3.812 5.491 1.00 0.00 H new ATOM 0 HD23 LEU A 85 0.643 3.997 5.909 1.00 0.00 H new ATOM 1375 N LYS A 86 0.811 4.236 11.515 1.00 0.00 N ATOM 1376 CA LYS A 86 -0.489 4.397 12.222 1.00 0.00 C ATOM 1377 C LYS A 86 -0.947 5.852 12.117 1.00 0.00 C ATOM 1378 O LYS A 86 -2.127 6.141 12.109 1.00 0.00 O ATOM 1379 CB LYS A 86 -0.320 4.019 13.694 1.00 0.00 C ATOM 1380 CG LYS A 86 -1.683 4.044 14.388 1.00 0.00 C ATOM 1381 CD LYS A 86 -1.506 3.728 15.874 1.00 0.00 C ATOM 1382 CE LYS A 86 -2.879 3.580 16.532 1.00 0.00 C ATOM 1383 NZ LYS A 86 -3.046 2.184 17.025 1.00 0.00 N ATOM 0 H LYS A 86 1.555 3.811 12.069 1.00 0.00 H new ATOM 0 HA LYS A 86 -1.235 3.747 11.765 1.00 0.00 H new ATOM 0 HB2 LYS A 86 0.124 3.027 13.777 1.00 0.00 H new ATOM 0 HB3 LYS A 86 0.362 4.715 14.183 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -2.147 5.023 14.266 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -2.351 3.316 13.928 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -0.932 2.809 15.995 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -0.942 4.523 16.361 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -2.975 4.283 17.359 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -3.665 3.821 15.816 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -3.979 2.083 17.472 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -2.972 1.522 16.226 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -2.304 1.971 17.721 1.00 0.00 H new ATOM 1397 N LYS A 87 -0.026 6.773 12.036 1.00 0.00 N ATOM 1398 CA LYS A 87 -0.421 8.205 11.933 1.00 0.00 C ATOM 1399 C LYS A 87 -1.415 8.370 10.782 1.00 0.00 C ATOM 1400 O LYS A 87 -1.152 7.989 9.659 1.00 0.00 O ATOM 1401 CB LYS A 87 0.821 9.059 11.662 1.00 0.00 C ATOM 1402 CG LYS A 87 1.775 8.966 12.854 1.00 0.00 C ATOM 1403 CD LYS A 87 2.959 9.910 12.634 1.00 0.00 C ATOM 1404 CE LYS A 87 3.974 9.727 13.765 1.00 0.00 C ATOM 1405 NZ LYS A 87 4.907 10.889 13.786 1.00 0.00 N ATOM 0 H LYS A 87 0.979 6.596 12.037 1.00 0.00 H new ATOM 0 HA LYS A 87 -0.884 8.526 12.866 1.00 0.00 H new ATOM 0 HB2 LYS A 87 1.320 8.716 10.756 1.00 0.00 H new ATOM 0 HB3 LYS A 87 0.532 10.097 11.494 1.00 0.00 H new ATOM 0 HG2 LYS A 87 1.252 9.229 13.773 1.00 0.00 H new ATOM 0 HG3 LYS A 87 2.129 7.942 12.971 1.00 0.00 H new ATOM 0 HD2 LYS A 87 3.429 9.703 11.672 1.00 0.00 H new ATOM 0 HD3 LYS A 87 2.613 10.943 12.605 1.00 0.00 H new ATOM 0 HE2 LYS A 87 3.458 9.644 14.722 1.00 0.00 H new ATOM 0 HE3 LYS A 87 4.532 8.801 13.622 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 5.597 10.766 14.554 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 5.408 10.949 12.877 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 4.368 11.764 13.942 1.00 0.00 H new ATOM 1419 N GLU A 88 -2.560 8.930 11.058 1.00 0.00 N ATOM 1420 CA GLU A 88 -3.581 9.116 9.990 1.00 0.00 C ATOM 1421 C GLU A 88 -3.061 10.083 8.924 1.00 0.00 C ATOM 1422 O GLU A 88 -3.428 10.001 7.769 1.00 0.00 O ATOM 1423 CB GLU A 88 -4.861 9.681 10.604 1.00 0.00 C ATOM 1424 CG GLU A 88 -5.459 8.657 11.572 1.00 0.00 C ATOM 1425 CD GLU A 88 -6.776 9.196 12.136 1.00 0.00 C ATOM 1426 OE1 GLU A 88 -7.067 10.357 11.899 1.00 0.00 O ATOM 1427 OE2 GLU A 88 -7.469 8.438 12.794 1.00 0.00 O ATOM 0 H GLU A 88 -2.833 9.268 11.981 1.00 0.00 H new ATOM 0 HA GLU A 88 -3.787 8.152 9.525 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -4.645 10.611 11.130 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -5.579 9.918 9.819 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -5.631 7.712 11.057 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -4.759 8.455 12.383 1.00 0.00 H new ATOM 1434 N LYS A 89 -2.224 11.010 9.301 1.00 0.00 N ATOM 1435 CA LYS A 89 -1.705 11.987 8.307 1.00 0.00 C ATOM 1436 C LYS A 89 -1.020 11.254 7.152 1.00 0.00 C ATOM 1437 O LYS A 89 -1.299 11.508 5.996 1.00 0.00 O ATOM 1438 CB LYS A 89 -0.697 12.910 8.993 1.00 0.00 C ATOM 1439 CG LYS A 89 -1.410 13.741 10.063 1.00 0.00 C ATOM 1440 CD LYS A 89 -0.428 14.744 10.669 1.00 0.00 C ATOM 1441 CE LYS A 89 -1.106 15.493 11.817 1.00 0.00 C ATOM 1442 NZ LYS A 89 -1.963 16.579 11.264 1.00 0.00 N ATOM 0 H LYS A 89 -1.878 11.132 10.253 1.00 0.00 H new ATOM 0 HA LYS A 89 -2.536 12.571 7.910 1.00 0.00 H new ATOM 0 HB2 LYS A 89 0.101 12.322 9.446 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -0.231 13.567 8.258 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -2.259 14.266 9.625 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -1.806 13.089 10.841 1.00 0.00 H new ATOM 0 HD2 LYS A 89 0.459 14.226 11.033 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -0.095 15.449 9.907 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -1.710 14.804 12.408 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -0.354 15.913 12.485 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -2.424 17.089 12.044 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -1.375 17.241 10.718 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -2.688 16.167 10.643 1.00 0.00 H new ATOM 1456 N ASP A 90 -0.130 10.349 7.445 1.00 0.00 N ATOM 1457 CA ASP A 90 0.558 9.611 6.352 1.00 0.00 C ATOM 1458 C ASP A 90 -0.429 8.657 5.681 1.00 0.00 C ATOM 1459 O ASP A 90 -0.520 8.588 4.471 1.00 0.00 O ATOM 1460 CB ASP A 90 1.721 8.809 6.933 1.00 0.00 C ATOM 1461 CG ASP A 90 2.752 9.764 7.537 1.00 0.00 C ATOM 1462 OD1 ASP A 90 2.688 10.944 7.230 1.00 0.00 O ATOM 1463 OD2 ASP A 90 3.588 9.300 8.294 1.00 0.00 O ATOM 0 H ASP A 90 0.150 10.089 8.391 1.00 0.00 H new ATOM 0 HA ASP A 90 0.936 10.322 5.617 1.00 0.00 H new ATOM 0 HB2 ASP A 90 1.356 8.121 7.696 1.00 0.00 H new ATOM 0 HB3 ASP A 90 2.184 8.204 6.154 1.00 0.00 H new ATOM 1468 N ARG A 91 -1.161 7.913 6.461 1.00 0.00 N ATOM 1469 CA ARG A 91 -2.138 6.952 5.879 1.00 0.00 C ATOM 1470 C ARG A 91 -3.135 7.683 4.974 1.00 0.00 C ATOM 1471 O ARG A 91 -3.426 7.247 3.878 1.00 0.00 O ATOM 1472 CB ARG A 91 -2.898 6.267 7.015 1.00 0.00 C ATOM 1473 CG ARG A 91 -3.907 5.276 6.435 1.00 0.00 C ATOM 1474 CD ARG A 91 -4.600 4.529 7.575 1.00 0.00 C ATOM 1475 NE ARG A 91 -5.480 5.471 8.324 1.00 0.00 N ATOM 1476 CZ ARG A 91 -6.471 5.010 9.037 1.00 0.00 C ATOM 1477 NH1 ARG A 91 -6.690 3.725 9.095 1.00 0.00 N ATOM 1478 NH2 ARG A 91 -7.241 5.834 9.693 1.00 0.00 N ATOM 0 H ARG A 91 -1.125 7.929 7.480 1.00 0.00 H new ATOM 0 HA ARG A 91 -1.600 6.214 5.284 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -2.200 5.748 7.671 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -3.413 7.012 7.622 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -4.645 5.803 5.830 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -3.402 4.569 5.777 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -5.189 3.703 7.177 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -3.857 4.097 8.246 1.00 0.00 H new ATOM 0 HE ARG A 91 -5.308 6.475 8.279 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -6.087 3.081 8.583 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -7.464 3.364 9.652 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -7.068 6.838 9.648 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -8.016 5.474 10.250 1.00 0.00 H new ATOM 1492 N ASN A 92 -3.668 8.783 5.425 1.00 0.00 N ATOM 1493 CA ASN A 92 -4.652 9.528 4.592 1.00 0.00 C ATOM 1494 C ASN A 92 -3.958 10.169 3.389 1.00 0.00 C ATOM 1495 O ASN A 92 -4.454 10.131 2.280 1.00 0.00 O ATOM 1496 CB ASN A 92 -5.301 10.622 5.438 1.00 0.00 C ATOM 1497 CG ASN A 92 -6.167 9.985 6.526 1.00 0.00 C ATOM 1498 OD1 ASN A 92 -6.401 8.793 6.513 1.00 0.00 O ATOM 1499 ND2 ASN A 92 -6.664 10.737 7.469 1.00 0.00 N ATOM 0 H ASN A 92 -3.465 9.199 6.334 1.00 0.00 H new ATOM 0 HA ASN A 92 -5.409 8.831 4.233 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -4.533 11.249 5.891 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -5.910 11.270 4.808 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -7.249 10.324 8.195 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -6.468 11.738 7.480 1.00 0.00 H new ATOM 1506 N ASP A 93 -2.823 10.771 3.602 1.00 0.00 N ATOM 1507 CA ASP A 93 -2.106 11.433 2.477 1.00 0.00 C ATOM 1508 C ASP A 93 -1.671 10.393 1.440 1.00 0.00 C ATOM 1509 O ASP A 93 -1.773 10.610 0.249 1.00 0.00 O ATOM 1510 CB ASP A 93 -0.876 12.159 3.025 1.00 0.00 C ATOM 1511 CG ASP A 93 -1.323 13.286 3.958 1.00 0.00 C ATOM 1512 OD1 ASP A 93 -2.494 13.624 3.927 1.00 0.00 O ATOM 1513 OD2 ASP A 93 -0.486 13.791 4.688 1.00 0.00 O ATOM 0 H ASP A 93 -2.359 10.834 4.508 1.00 0.00 H new ATOM 0 HA ASP A 93 -2.774 12.148 1.996 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -0.237 11.459 3.563 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -0.284 12.565 2.204 1.00 0.00 H new ATOM 1518 N LEU A 94 -1.186 9.267 1.882 1.00 0.00 N ATOM 1519 CA LEU A 94 -0.738 8.216 0.924 1.00 0.00 C ATOM 1520 C LEU A 94 -1.859 7.866 -0.042 1.00 0.00 C ATOM 1521 O LEU A 94 -1.756 8.051 -1.238 1.00 0.00 O ATOM 1522 CB LEU A 94 -0.369 6.951 1.692 1.00 0.00 C ATOM 1523 CG LEU A 94 1.145 6.811 1.769 1.00 0.00 C ATOM 1524 CD1 LEU A 94 1.494 5.887 2.932 1.00 0.00 C ATOM 1525 CD2 LEU A 94 1.667 6.209 0.463 1.00 0.00 C ATOM 0 H LEU A 94 -1.080 9.028 2.868 1.00 0.00 H new ATOM 0 HA LEU A 94 0.121 8.599 0.373 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -0.790 6.990 2.697 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -0.798 6.079 1.200 1.00 0.00 H new ATOM 0 HG LEU A 94 1.602 7.788 1.922 1.00 0.00 H new ATOM 0 HD11 LEU A 94 2.577 5.778 2.998 1.00 0.00 H new ATOM 0 HD12 LEU A 94 1.115 6.312 3.861 1.00 0.00 H new ATOM 0 HD13 LEU A 94 1.040 4.909 2.769 1.00 0.00 H new ATOM 0 HD21 LEU A 94 2.751 6.108 0.517 1.00 0.00 H new ATOM 0 HD22 LEU A 94 1.218 5.227 0.310 1.00 0.00 H new ATOM 0 HD23 LEU A 94 1.404 6.862 -0.369 1.00 0.00 H new ATOM 1537 N ILE A 95 -2.924 7.338 0.476 1.00 0.00 N ATOM 1538 CA ILE A 95 -4.055 6.937 -0.382 1.00 0.00 C ATOM 1539 C ILE A 95 -4.502 8.118 -1.236 1.00 0.00 C ATOM 1540 O ILE A 95 -4.892 7.959 -2.376 1.00 0.00 O ATOM 1541 CB ILE A 95 -5.182 6.457 0.515 1.00 0.00 C ATOM 1542 CG1 ILE A 95 -4.634 5.346 1.413 1.00 0.00 C ATOM 1543 CG2 ILE A 95 -6.316 5.914 -0.345 1.00 0.00 C ATOM 1544 CD1 ILE A 95 -5.766 4.752 2.255 1.00 0.00 C ATOM 0 H ILE A 95 -3.058 7.166 1.472 1.00 0.00 H new ATOM 0 HA ILE A 95 -3.759 6.133 -1.056 1.00 0.00 H new ATOM 0 HB ILE A 95 -5.563 7.277 1.123 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -4.175 4.567 0.804 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -3.855 5.743 2.064 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -7.126 5.569 0.297 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -6.684 6.702 -1.002 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -5.950 5.082 -0.947 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -5.369 3.962 2.892 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -6.206 5.532 2.876 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -6.530 4.338 1.597 1.00 0.00 H new ATOM 1556 N THR A 96 -4.433 9.304 -0.707 1.00 0.00 N ATOM 1557 CA THR A 96 -4.834 10.483 -1.504 1.00 0.00 C ATOM 1558 C THR A 96 -4.000 10.509 -2.787 1.00 0.00 C ATOM 1559 O THR A 96 -4.489 10.821 -3.855 1.00 0.00 O ATOM 1560 CB THR A 96 -4.573 11.749 -0.688 1.00 0.00 C ATOM 1561 OG1 THR A 96 -5.164 11.609 0.596 1.00 0.00 O ATOM 1562 CG2 THR A 96 -5.185 12.947 -1.400 1.00 0.00 C ATOM 0 H THR A 96 -4.116 9.504 0.242 1.00 0.00 H new ATOM 0 HA THR A 96 -5.893 10.432 -1.756 1.00 0.00 H new ATOM 0 HB THR A 96 -3.499 11.901 -0.582 1.00 0.00 H new ATOM 0 HG1 THR A 96 -4.524 11.187 1.206 1.00 0.00 H new ATOM 0 HG21 THR A 96 -4.999 13.850 -0.818 1.00 0.00 H new ATOM 0 HG22 THR A 96 -4.735 13.052 -2.387 1.00 0.00 H new ATOM 0 HG23 THR A 96 -6.260 12.798 -1.505 1.00 0.00 H new ATOM 1570 N TYR A 97 -2.741 10.173 -2.687 1.00 0.00 N ATOM 1571 CA TYR A 97 -1.868 10.164 -3.892 1.00 0.00 C ATOM 1572 C TYR A 97 -2.038 8.850 -4.655 1.00 0.00 C ATOM 1573 O TYR A 97 -2.232 8.839 -5.855 1.00 0.00 O ATOM 1574 CB TYR A 97 -0.410 10.317 -3.464 1.00 0.00 C ATOM 1575 CG TYR A 97 0.482 10.143 -4.669 1.00 0.00 C ATOM 1576 CD1 TYR A 97 0.771 11.233 -5.496 1.00 0.00 C ATOM 1577 CD2 TYR A 97 1.017 8.884 -4.955 1.00 0.00 C ATOM 1578 CE1 TYR A 97 1.599 11.061 -6.612 1.00 0.00 C ATOM 1579 CE2 TYR A 97 1.844 8.711 -6.069 1.00 0.00 C ATOM 1580 CZ TYR A 97 2.136 9.800 -6.899 1.00 0.00 C ATOM 1581 OH TYR A 97 2.952 9.630 -7.999 1.00 0.00 O ATOM 0 H TYR A 97 -2.280 9.904 -1.818 1.00 0.00 H new ATOM 0 HA TYR A 97 -2.150 10.992 -4.542 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -0.251 11.298 -3.017 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -0.162 9.577 -2.703 1.00 0.00 H new ATOM 0 HD1 TYR A 97 0.356 12.205 -5.274 1.00 0.00 H new ATOM 0 HD2 TYR A 97 0.791 8.044 -4.315 1.00 0.00 H new ATOM 0 HE1 TYR A 97 1.824 11.902 -7.252 1.00 0.00 H new ATOM 0 HE2 TYR A 97 2.257 7.738 -6.289 1.00 0.00 H new ATOM 0 HH TYR A 97 3.239 8.695 -8.052 1.00 0.00 H new ATOM 1591 N LEU A 98 -1.961 7.740 -3.972 1.00 0.00 N ATOM 1592 CA LEU A 98 -2.112 6.430 -4.670 1.00 0.00 C ATOM 1593 C LEU A 98 -3.425 6.436 -5.449 1.00 0.00 C ATOM 1594 O LEU A 98 -3.477 6.077 -6.609 1.00 0.00 O ATOM 1595 CB LEU A 98 -2.148 5.301 -3.638 1.00 0.00 C ATOM 1596 CG LEU A 98 -0.887 5.346 -2.768 1.00 0.00 C ATOM 1597 CD1 LEU A 98 -1.028 4.345 -1.620 1.00 0.00 C ATOM 1598 CD2 LEU A 98 0.333 4.972 -3.606 1.00 0.00 C ATOM 0 H LEU A 98 -1.801 7.683 -2.966 1.00 0.00 H new ATOM 0 HA LEU A 98 -1.273 6.275 -5.348 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -3.035 5.397 -3.012 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -2.217 4.338 -4.143 1.00 0.00 H new ATOM 0 HG LEU A 98 -0.761 6.353 -2.371 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -0.132 4.375 -0.999 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -1.897 4.605 -1.016 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -1.155 3.341 -2.026 1.00 0.00 H new ATOM 0 HD21 LEU A 98 1.227 5.006 -2.983 1.00 0.00 H new ATOM 0 HD22 LEU A 98 0.206 3.965 -4.004 1.00 0.00 H new ATOM 0 HD23 LEU A 98 0.439 5.678 -4.430 1.00 0.00 H new ATOM 1610 N LYS A 99 -4.484 6.860 -4.821 1.00 0.00 N ATOM 1611 CA LYS A 99 -5.797 6.914 -5.519 1.00 0.00 C ATOM 1612 C LYS A 99 -5.688 7.856 -6.719 1.00 0.00 C ATOM 1613 O LYS A 99 -6.240 7.606 -7.772 1.00 0.00 O ATOM 1614 CB LYS A 99 -6.861 7.424 -4.545 1.00 0.00 C ATOM 1615 CG LYS A 99 -8.212 7.553 -5.256 1.00 0.00 C ATOM 1616 CD LYS A 99 -9.228 8.194 -4.308 1.00 0.00 C ATOM 1617 CE LYS A 99 -10.594 8.265 -4.993 1.00 0.00 C ATOM 1618 NZ LYS A 99 -11.654 7.841 -4.036 1.00 0.00 N ATOM 0 H LYS A 99 -4.497 7.173 -3.850 1.00 0.00 H new ATOM 0 HA LYS A 99 -6.078 5.921 -5.868 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -6.950 6.740 -3.701 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -6.561 8.391 -4.141 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -8.105 8.159 -6.156 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -8.563 6.571 -5.573 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -9.300 7.612 -3.389 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -8.898 9.194 -4.027 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -10.787 9.281 -5.339 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -10.605 7.621 -5.873 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -12.154 7.012 -4.416 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -11.220 7.595 -3.124 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -12.330 8.620 -3.899 1.00 0.00 H new ATOM 1632 N LYS A 100 -4.977 8.939 -6.566 1.00 0.00 N ATOM 1633 CA LYS A 100 -4.828 9.902 -7.694 1.00 0.00 C ATOM 1634 C LYS A 100 -4.196 9.188 -8.884 1.00 0.00 C ATOM 1635 O LYS A 100 -4.609 9.347 -10.016 1.00 0.00 O ATOM 1636 CB LYS A 100 -3.911 11.043 -7.257 1.00 0.00 C ATOM 1637 CG LYS A 100 -3.951 12.163 -8.300 1.00 0.00 C ATOM 1638 CD LYS A 100 -2.983 13.274 -7.891 1.00 0.00 C ATOM 1639 CE LYS A 100 -3.108 14.449 -8.865 1.00 0.00 C ATOM 1640 NZ LYS A 100 -3.051 15.730 -8.106 1.00 0.00 N ATOM 0 H LYS A 100 -4.492 9.199 -5.707 1.00 0.00 H new ATOM 0 HA LYS A 100 -5.805 10.295 -7.974 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -4.227 11.425 -6.286 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -2.891 10.678 -7.139 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -3.679 11.772 -9.280 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -4.963 12.560 -8.385 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -3.202 13.605 -6.876 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -1.960 12.897 -7.890 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -2.304 14.413 -9.600 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -4.046 14.381 -9.415 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -3.136 16.529 -8.766 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -3.833 15.763 -7.421 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -2.145 15.794 -7.600 1.00 0.00 H new ATOM 1654 N ALA A 101 -3.195 8.398 -8.627 1.00 0.00 N ATOM 1655 CA ALA A 101 -2.521 7.658 -9.730 1.00 0.00 C ATOM 1656 C ALA A 101 -3.474 6.589 -10.253 1.00 0.00 C ATOM 1657 O ALA A 101 -3.721 6.484 -11.438 1.00 0.00 O ATOM 1658 CB ALA A 101 -1.247 6.996 -9.202 1.00 0.00 C ATOM 0 H ALA A 101 -2.812 8.231 -7.697 1.00 0.00 H new ATOM 0 HA ALA A 101 -2.256 8.346 -10.533 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -0.756 6.455 -10.011 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -0.573 7.760 -8.815 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -1.503 6.300 -8.403 1.00 0.00 H new ATOM 1664 N THR A 102 -4.028 5.806 -9.371 1.00 0.00 N ATOM 1665 CA THR A 102 -4.985 4.758 -9.807 1.00 0.00 C ATOM 1666 C THR A 102 -6.184 5.443 -10.457 1.00 0.00 C ATOM 1667 O THR A 102 -6.811 4.912 -11.351 1.00 0.00 O ATOM 1668 CB THR A 102 -5.450 3.947 -8.594 1.00 0.00 C ATOM 1669 OG1 THR A 102 -4.316 3.435 -7.908 1.00 0.00 O ATOM 1670 CG2 THR A 102 -6.333 2.788 -9.060 1.00 0.00 C ATOM 0 H THR A 102 -3.858 5.848 -8.366 1.00 0.00 H new ATOM 0 HA THR A 102 -4.506 4.085 -10.518 1.00 0.00 H new ATOM 0 HB THR A 102 -6.022 4.589 -7.924 1.00 0.00 H new ATOM 0 HG1 THR A 102 -3.929 4.138 -7.345 1.00 0.00 H new ATOM 0 HG21 THR A 102 -6.663 2.212 -8.196 1.00 0.00 H new ATOM 0 HG22 THR A 102 -7.202 3.182 -9.587 1.00 0.00 H new ATOM 0 HG23 THR A 102 -5.764 2.143 -9.730 1.00 0.00 H new ATOM 1678 N GLU A 103 -6.505 6.626 -10.007 1.00 0.00 N ATOM 1679 CA GLU A 103 -7.664 7.357 -10.592 1.00 0.00 C ATOM 1680 C GLU A 103 -7.247 7.997 -11.918 1.00 0.00 C ATOM 1681 O GLU A 103 -6.312 7.562 -12.562 1.00 0.00 O ATOM 1682 CB GLU A 103 -8.122 8.447 -9.621 1.00 0.00 C ATOM 1683 CG GLU A 103 -9.394 9.106 -10.158 1.00 0.00 C ATOM 1684 CD GLU A 103 -9.797 10.263 -9.240 1.00 0.00 C ATOM 1685 OE1 GLU A 103 -9.084 10.506 -8.280 1.00 0.00 O ATOM 1686 OE2 GLU A 103 -10.811 10.884 -9.514 1.00 0.00 O ATOM 0 H GLU A 103 -6.014 7.117 -9.260 1.00 0.00 H new ATOM 0 HA GLU A 103 -8.483 6.659 -10.767 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -8.310 8.017 -8.637 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -7.337 9.193 -9.498 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -9.226 9.473 -11.171 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -10.200 8.374 -10.213 1.00 0.00 H new TER 1693 GLU A 103 HETATM 1694 FE HEC A 104 4.945 -2.581 1.616 1.00 0.00 FE HETATM 1695 CHA HEC A 104 3.107 -5.395 1.152 1.00 0.00 C HETATM 1696 CHB HEC A 104 2.181 -0.681 1.164 1.00 0.00 C HETATM 1697 CHC HEC A 104 6.786 0.226 2.075 1.00 0.00 C HETATM 1698 CHD HEC A 104 7.733 -4.457 1.980 1.00 0.00 C HETATM 1699 NA HEC A 104 3.049 -2.956 1.251 1.00 0.00 N HETATM 1700 C1A HEC A 104 2.437 -4.188 1.077 1.00 0.00 C HETATM 1701 C2A HEC A 104 1.002 -4.040 0.841 1.00 0.00 C HETATM 1702 C3A HEC A 104 0.762 -2.703 0.818 1.00 0.00 C HETATM 1703 C4A HEC A 104 2.020 -2.047 1.102 1.00 0.00 C HETATM 1704 CMA HEC A 104 -0.531 -2.039 0.465 1.00 0.00 C HETATM 1705 CAA HEC A 104 -0.046 -5.125 0.845 1.00 0.00 C HETATM 1706 CBA HEC A 104 -1.113 -4.937 -0.243 1.00 0.00 C HETATM 1707 CGA HEC A 104 -1.289 -6.236 -1.031 1.00 0.00 C HETATM 1708 O1A HEC A 104 -0.883 -6.267 -2.180 1.00 0.00 O HETATM 1709 O2A HEC A 104 -1.840 -7.174 -0.478 1.00 0.00 O HETATM 1710 NB HEC A 104 4.567 -0.654 1.614 1.00 0.00 N HETATM 1711 C1B HEC A 104 3.361 -0.030 1.396 1.00 0.00 C HETATM 1712 C2B HEC A 104 3.475 1.403 1.495 1.00 0.00 C HETATM 1713 C3B HEC A 104 4.777 1.675 1.716 1.00 0.00 C HETATM 1714 C4B HEC A 104 5.444 0.392 1.832 1.00 0.00 C HETATM 1715 CMB HEC A 104 2.349 2.373 1.586 1.00 0.00 C HETATM 1716 CAB HEC A 104 5.402 3.036 1.705 1.00 0.00 C HETATM 1717 CBB HEC A 104 4.876 3.925 2.833 1.00 0.00 C HETATM 1718 NC HEC A 104 6.832 -2.201 1.967 1.00 0.00 N HETATM 1719 C1C HEC A 104 7.434 -0.973 2.131 1.00 0.00 C HETATM 1720 C2C HEC A 104 8.842 -1.097 2.372 1.00 0.00 C HETATM 1721 C3C HEC A 104 9.134 -2.407 2.281 1.00 0.00 C HETATM 1722 C4C HEC A 104 7.874 -3.094 2.082 1.00 0.00 C HETATM 1723 CMC HEC A 104 9.756 -0.020 2.838 1.00 0.00 C HETATM 1724 CAC HEC A 104 10.502 -2.974 2.165 1.00 0.00 C HETATM 1725 CBC HEC A 104 11.254 -3.013 3.496 1.00 0.00 C HETATM 1726 ND HEC A 104 5.332 -4.500 1.594 1.00 0.00 N HETATM 1727 C1D HEC A 104 6.553 -5.116 1.750 1.00 0.00 C HETATM 1728 C2D HEC A 104 6.443 -6.548 1.675 1.00 0.00 C HETATM 1729 C3D HEC A 104 5.144 -6.823 1.398 1.00 0.00 C HETATM 1730 C4D HEC A 104 4.455 -5.546 1.392 1.00 0.00 C HETATM 1731 CMD HEC A 104 7.491 -7.520 2.085 1.00 0.00 C HETATM 1732 CAD HEC A 104 4.564 -8.154 1.015 1.00 0.00 C HETATM 1733 CBD HEC A 104 5.583 -9.120 0.398 1.00 0.00 C HETATM 1734 CGD HEC A 104 4.934 -9.879 -0.763 1.00 0.00 C HETATM 1735 O1D HEC A 104 5.179 -11.069 -0.874 1.00 0.00 O HETATM 1736 O2D HEC A 104 4.206 -9.262 -1.521 1.00 0.00 O HETATM 0 HMD3 HEC A 104 8.393 -7.352 1.497 1.00 0.00 H new HETATM 0 HMD2 HEC A 104 7.717 -7.386 3.143 1.00 0.00 H new HETATM 0 HMD1 HEC A 104 7.132 -8.535 1.916 1.00 0.00 H new HETATM 0 HMC3 HEC A 104 9.750 0.799 2.119 1.00 0.00 H new HETATM 0 HMC2 HEC A 104 9.421 0.347 3.808 1.00 0.00 H new HETATM 0 HMC1 HEC A 104 10.768 -0.415 2.929 1.00 0.00 H new HETATM 0 HMB3 HEC A 104 1.720 2.285 0.700 1.00 0.00 H new HETATM 0 HMB2 HEC A 104 1.756 2.159 2.475 1.00 0.00 H new HETATM 0 HMB1 HEC A 104 2.746 3.386 1.650 1.00 0.00 H new HETATM 0 HMA3 HEC A 104 -0.812 -2.308 -0.553 1.00 0.00 H new HETATM 0 HMA2 HEC A 104 -1.309 -2.367 1.154 1.00 0.00 H new HETATM 0 HMA1 HEC A 104 -0.416 -0.957 0.536 1.00 0.00 H new HETATM 0 HBD2 HEC A 104 6.454 -8.568 0.044 1.00 0.00 H new HETATM 0 HBD1 HEC A 104 5.936 -9.823 1.153 1.00 0.00 H new HETATM 0 HBC3 HEC A 104 11.350 -2.001 3.889 1.00 0.00 H new HETATM 0 HBC2 HEC A 104 10.703 -3.628 4.207 1.00 0.00 H new HETATM 0 HBC1 HEC A 104 12.246 -3.438 3.341 1.00 0.00 H new HETATM 0 HBB3 HEC A 104 3.798 4.048 2.727 1.00 0.00 H new HETATM 0 HBB2 HEC A 104 5.095 3.461 3.795 1.00 0.00 H new HETATM 0 HBB1 HEC A 104 5.359 4.901 2.783 1.00 0.00 H new HETATM 0 HBA2 HEC A 104 -2.060 -4.646 0.211 1.00 0.00 H new HETATM 0 HBA1 HEC A 104 -0.821 -4.130 -0.915 1.00 0.00 H new HETATM 0 HAD2 HEC A 104 4.128 -8.618 1.900 1.00 0.00 H new HETATM 0 HAD1 HEC A 104 3.752 -7.995 0.305 1.00 0.00 H new HETATM 0 HAA2 HEC A 104 0.439 -6.091 0.706 1.00 0.00 H new HETATM 0 HAA1 HEC A 104 -0.531 -5.149 1.821 1.00 0.00 H new HETATM 0 HHD HEC A 104 8.632 -5.063 2.091 1.00 0.00 H new HETATM 0 HHC HEC A 104 7.381 1.125 2.236 1.00 0.00 H new HETATM 0 HHB HEC A 104 1.293 -0.067 1.016 1.00 0.00 H new HETATM 0 HHA HEC A 104 2.520 -6.302 1.009 1.00 0.00 H new