USER MOD reduce.3.24.130724 H: found=0, std=0, add=892, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 885 hydrogens (51 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 72 M3L H2 : A 72 M3L N : A 71 PRO C :(H bumps) USER MOD NoAdj-H: A 104 HEC HAC : A 104 HEC CAC : A 17 CYS SG :(H bumps) USER MOD Set 1.1: A 52 ASN : amide:sc= -3.92! C(o=-7.3!,f=-7.8!) USER MOD Set 1.2: A 78 THR OG1 : rot 180:sc=-0.00829 USER MOD Set 1.3: A 104 HEC O2A : rot 78:sc= -3.37! USER MOD Set 2.1: A 39 HIS : no HD1:sc= -11.5! C(o=-18!,f=-18!) USER MOD Set 2.2: A 56 ASN : amide:sc= -6.66! C(o=-18!,f=-22!) USER MOD Set 3.1: A 19 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 31 ASN : amide:sc= -6.48! C(o=-14!,f=-25!) USER MOD Set 3.3: A 33 HIS : no HE2:sc= -7.17! C(o=-14!,f=-30!) USER MOD Single : A 2 SER OG : rot -24:sc= -2.49! USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 155:sc= -0.0661 (180deg=-0.493) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A -2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A -5 THR N :NH3+ -151:sc= 0.0563 (180deg=-0.959) USER MOD Single : A -5 THR OG1 : rot 51:sc= 0.495 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 CYS SG : rot 8:sc= -22.3! USER MOD Single : A 16 GLN : amide:sc= -1.4 K(o=-1.4,f=-4.4!) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 HIS :FLIP no HE2:sc= -3.8! C(o=-5.4!,f=-3.8!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot -12:sc= -0.74 USER MOD Single : A 42 GLN : amide:sc= -4.38! C(o=-4.4!,f=-9.2!) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 33:sc= 0.0699 USER MOD Single : A 48 TYR OH : rot 70:sc= -2.38 USER MOD Single : A 49 THR OG1 : rot 180:sc= 0.00148 USER MOD Single : A 54 LYS NZ :NH3+ 155:sc= 1.16 (180deg=0.284) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 ASN :FLIP amide:sc= -0.15 F(o=-2.6!,f=-0.15) USER MOD Single : A 63 ASN : amide:sc= -5.2! C(o=-5.2!,f=-6!) USER MOD Single : A 64 MET CE :methyl -121:sc= -1.64 (180deg=-3.06!) USER MOD Single : A 65 SER OG : rot -78:sc= 1.19 USER MOD Single : A 67 TYR OH : rot -82:sc= -4.14! USER MOD Single : A 69 THR OG1 : rot 70:sc= -1.25! USER MOD Single : A 70 ASN : amide:sc= -0.0218 X(o=-0.022,f=-0.062) USER MOD Single : A 73 LYS NZ :NH3+ 159:sc= -0.047 (180deg=-0.34) USER MOD Single : A 74 TYR OH : rot 30:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 MET CE :methyl 167:sc= -6.53! (180deg=-7.55!) 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+ 175:sc= 0 (180deg=-0.0174) USER MOD Single : A 92 ASN : amide:sc= 0.132 K(o=0.13,f=-1.6!) USER MOD Single : A 96 THR OG1 : rot 124:sc= 0.809! USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 SER OG : rot -80:sc= 0.988 USER MOD Single : A 104 HEC O2D : rot -140:sc= -0.85 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A -5 7.239 -14.973 -11.222 1.00 0.00 N ATOM 2 CA THR A -5 6.556 -16.255 -11.250 1.00 0.00 C ATOM 3 C THR A -5 7.036 -17.140 -10.099 1.00 0.00 C ATOM 4 O THR A -5 7.731 -18.130 -10.320 1.00 0.00 O ATOM 5 CB THR A -5 6.778 -16.879 -12.630 1.00 0.00 C ATOM 6 OG1 THR A -5 8.196 -16.948 -12.755 1.00 0.00 O ATOM 7 CG2 THR A -5 6.348 -15.951 -13.768 1.00 0.00 C ATOM 0 H1 THR A -5 6.623 -14.242 -11.632 1.00 0.00 H new ATOM 0 H2 THR A -5 7.467 -14.722 -10.239 1.00 0.00 H new ATOM 0 H3 THR A -5 8.117 -15.035 -11.776 1.00 0.00 H new ATOM 0 HA THR A -5 5.483 -16.135 -11.100 1.00 0.00 H new ATOM 0 HB THR A -5 6.226 -17.816 -12.698 1.00 0.00 H new ATOM 0 HG1 THR A -5 8.574 -17.381 -11.961 1.00 0.00 H new ATOM 0 HG21 THR A -5 6.527 -16.442 -14.725 1.00 0.00 H new ATOM 0 HG22 THR A -5 5.287 -15.723 -13.670 1.00 0.00 H new ATOM 0 HG23 THR A -5 6.924 -15.027 -13.721 1.00 0.00 H new ATOM 15 N GLU A -4 6.645 -16.751 -8.894 1.00 0.00 N ATOM 16 CA GLU A -4 7.027 -17.498 -7.707 1.00 0.00 C ATOM 17 C GLU A -4 6.236 -17.005 -6.493 1.00 0.00 C ATOM 18 O GLU A -4 6.819 -16.539 -5.515 1.00 0.00 O ATOM 19 CB GLU A -4 8.533 -17.398 -7.457 1.00 0.00 C ATOM 20 CG GLU A -4 8.944 -15.956 -7.153 1.00 0.00 C ATOM 21 CD GLU A -4 9.818 -15.387 -8.272 1.00 0.00 C ATOM 22 OE1 GLU A -4 10.600 -16.180 -8.839 1.00 0.00 O ATOM 23 OE2 GLU A -4 9.685 -14.172 -8.535 1.00 0.00 O ATOM 0 H GLU A -4 6.068 -15.929 -8.714 1.00 0.00 H new ATOM 0 HA GLU A -4 6.788 -18.549 -7.870 1.00 0.00 H new ATOM 0 HB2 GLU A -4 8.810 -18.042 -6.623 1.00 0.00 H new ATOM 0 HB3 GLU A -4 9.075 -17.758 -8.332 1.00 0.00 H new ATOM 0 HG2 GLU A -4 8.054 -15.338 -7.032 1.00 0.00 H new ATOM 0 HG3 GLU A -4 9.487 -15.920 -6.209 1.00 0.00 H new ATOM 30 N PHE A -3 4.920 -17.125 -6.596 1.00 0.00 N ATOM 31 CA PHE A -3 4.044 -16.697 -5.519 1.00 0.00 C ATOM 32 C PHE A -3 2.845 -17.638 -5.381 1.00 0.00 C ATOM 33 O PHE A -3 2.156 -17.919 -6.361 1.00 0.00 O ATOM 34 CB PHE A -3 3.540 -15.298 -5.880 1.00 0.00 C ATOM 35 CG PHE A -3 2.294 -14.866 -5.105 1.00 0.00 C ATOM 36 CD1 PHE A -3 1.061 -15.248 -5.532 1.00 0.00 C ATOM 37 CD2 PHE A -3 2.420 -14.099 -3.989 1.00 0.00 C ATOM 38 CE1 PHE A -3 -0.096 -14.847 -4.812 1.00 0.00 C ATOM 39 CE2 PHE A -3 1.263 -13.697 -3.269 1.00 0.00 C ATOM 40 CZ PHE A -3 0.030 -14.080 -3.696 1.00 0.00 C ATOM 0 H PHE A -3 4.440 -17.512 -7.408 1.00 0.00 H new ATOM 0 HA PHE A -3 4.587 -16.702 -4.574 1.00 0.00 H new ATOM 0 HB2 PHE A -3 4.337 -14.577 -5.697 1.00 0.00 H new ATOM 0 HB3 PHE A -3 3.321 -15.266 -6.947 1.00 0.00 H new ATOM 0 HD1 PHE A -3 0.961 -15.856 -6.419 1.00 0.00 H new ATOM 0 HD2 PHE A -3 3.400 -13.796 -3.650 1.00 0.00 H new ATOM 0 HE1 PHE A -3 -1.075 -15.151 -5.151 1.00 0.00 H new ATOM 0 HE2 PHE A -3 1.363 -13.088 -2.383 1.00 0.00 H new ATOM 0 HZ PHE A -3 -0.850 -13.775 -3.149 1.00 0.00 H new ATOM 50 N LYS A -2 2.633 -18.099 -4.157 1.00 0.00 N ATOM 51 CA LYS A -2 1.529 -19.003 -3.879 1.00 0.00 C ATOM 52 C LYS A -2 0.313 -18.191 -3.428 1.00 0.00 C ATOM 53 O LYS A -2 0.288 -17.669 -2.315 1.00 0.00 O ATOM 54 CB LYS A -2 1.956 -20.078 -2.878 1.00 0.00 C ATOM 55 CG LYS A -2 2.822 -19.480 -1.767 1.00 0.00 C ATOM 56 CD LYS A -2 4.305 -19.536 -2.137 1.00 0.00 C ATOM 57 CE LYS A -2 4.924 -20.872 -1.722 1.00 0.00 C ATOM 58 NZ LYS A -2 6.322 -20.680 -1.275 1.00 0.00 N ATOM 0 H LYS A -2 3.206 -17.864 -3.347 1.00 0.00 H new ATOM 0 HA LYS A -2 1.238 -19.539 -4.782 1.00 0.00 H new ATOM 0 HB2 LYS A -2 1.073 -20.546 -2.443 1.00 0.00 H new ATOM 0 HB3 LYS A -2 2.511 -20.861 -3.395 1.00 0.00 H new ATOM 0 HG2 LYS A -2 2.527 -18.446 -1.588 1.00 0.00 H new ATOM 0 HG3 LYS A -2 2.655 -20.025 -0.838 1.00 0.00 H new ATOM 0 HD2 LYS A -2 4.421 -19.396 -3.212 1.00 0.00 H new ATOM 0 HD3 LYS A -2 4.836 -18.718 -1.650 1.00 0.00 H new ATOM 0 HE2 LYS A -2 4.337 -21.317 -0.919 1.00 0.00 H new ATOM 0 HE3 LYS A -2 4.897 -21.568 -2.560 1.00 0.00 H new ATOM 0 HZ1 LYS A -2 6.727 -21.597 -0.997 1.00 0.00 H new ATOM 0 HZ2 LYS A -2 6.882 -20.275 -2.052 1.00 0.00 H new ATOM 0 HZ3 LYS A -2 6.340 -20.033 -0.461 1.00 0.00 H new ATOM 72 N ALA A -1 -0.667 -18.111 -4.316 1.00 0.00 N ATOM 73 CA ALA A -1 -1.883 -17.372 -4.024 1.00 0.00 C ATOM 74 C ALA A -1 -2.697 -18.132 -2.975 1.00 0.00 C ATOM 75 O ALA A -1 -2.555 -19.346 -2.835 1.00 0.00 O ATOM 76 CB ALA A -1 -2.667 -17.145 -5.318 1.00 0.00 C ATOM 0 H ALA A -1 -0.643 -18.546 -5.238 1.00 0.00 H new ATOM 0 HA ALA A -1 -1.646 -16.392 -3.611 1.00 0.00 H new ATOM 0 HB1 ALA A -1 -3.579 -16.590 -5.098 1.00 0.00 H new ATOM 0 HB2 ALA A -1 -2.056 -16.576 -6.018 1.00 0.00 H new ATOM 0 HB3 ALA A -1 -2.925 -18.107 -5.761 1.00 0.00 H new ATOM 82 N GLY A 1 -3.532 -17.387 -2.266 1.00 0.00 N ATOM 83 CA GLY A 1 -4.369 -17.977 -1.234 1.00 0.00 C ATOM 84 C GLY A 1 -5.272 -16.921 -0.592 1.00 0.00 C ATOM 85 O GLY A 1 -6.275 -16.518 -1.178 1.00 0.00 O ATOM 0 H GLY A 1 -3.647 -16.381 -2.385 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -4.980 -18.770 -1.665 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -3.742 -18.437 -0.471 1.00 0.00 H new ATOM 89 N SER A 2 -4.883 -16.505 0.605 1.00 0.00 N ATOM 90 CA SER A 2 -5.645 -15.505 1.333 1.00 0.00 C ATOM 91 C SER A 2 -7.097 -15.964 1.489 1.00 0.00 C ATOM 92 O SER A 2 -7.419 -16.711 2.411 1.00 0.00 O ATOM 93 CB SER A 2 -5.591 -14.149 0.626 1.00 0.00 C ATOM 94 OG SER A 2 -6.224 -14.186 -0.650 1.00 0.00 O ATOM 0 H SER A 2 -4.050 -16.842 1.088 1.00 0.00 H new ATOM 0 HA SER A 2 -5.199 -15.388 2.321 1.00 0.00 H new ATOM 0 HB2 SER A 2 -6.074 -13.396 1.249 1.00 0.00 H new ATOM 0 HB3 SER A 2 -4.551 -13.844 0.506 1.00 0.00 H new ATOM 0 HG SER A 2 -6.219 -15.105 -0.991 1.00 0.00 H new ATOM 100 N ALA A 3 -7.933 -15.498 0.573 1.00 0.00 N ATOM 101 CA ALA A 3 -9.342 -15.851 0.598 1.00 0.00 C ATOM 102 C ALA A 3 -9.906 -15.584 1.994 1.00 0.00 C ATOM 103 O ALA A 3 -9.524 -14.614 2.647 1.00 0.00 O ATOM 104 CB ALA A 3 -9.510 -17.310 0.170 1.00 0.00 C ATOM 0 H ALA A 3 -7.662 -14.879 -0.191 1.00 0.00 H new ATOM 0 HA ALA A 3 -9.904 -15.238 -0.107 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -10.567 -17.575 0.189 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -9.121 -17.440 -0.840 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -8.962 -17.956 0.856 1.00 0.00 H new ATOM 110 N LYS A 4 -10.807 -16.462 2.412 1.00 0.00 N ATOM 111 CA LYS A 4 -11.427 -16.334 3.719 1.00 0.00 C ATOM 112 C LYS A 4 -10.392 -16.643 4.803 1.00 0.00 C ATOM 113 O LYS A 4 -10.424 -17.713 5.409 1.00 0.00 O ATOM 114 CB LYS A 4 -12.684 -17.201 3.804 1.00 0.00 C ATOM 115 CG LYS A 4 -13.831 -16.585 3.001 1.00 0.00 C ATOM 116 CD LYS A 4 -15.176 -17.188 3.413 1.00 0.00 C ATOM 117 CE LYS A 4 -15.332 -18.607 2.862 1.00 0.00 C ATOM 118 NZ LYS A 4 -16.685 -19.130 3.153 1.00 0.00 N ATOM 0 H LYS A 4 -11.122 -17.265 1.868 1.00 0.00 H new ATOM 0 HA LYS A 4 -11.763 -15.310 3.882 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -12.467 -18.200 3.427 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -12.984 -17.312 4.846 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -13.850 -15.506 3.156 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -13.665 -16.751 1.937 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -15.253 -17.206 4.500 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -15.988 -16.560 3.046 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -15.160 -18.607 1.786 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -14.580 -19.260 3.305 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -16.774 -20.094 2.772 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -16.836 -19.149 4.182 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -17.397 -18.516 2.710 1.00 0.00 H new ATOM 132 N LYS A 5 -9.499 -15.688 5.014 1.00 0.00 N ATOM 133 CA LYS A 5 -8.456 -15.845 6.014 1.00 0.00 C ATOM 134 C LYS A 5 -7.479 -14.672 5.914 1.00 0.00 C ATOM 135 O LYS A 5 -6.937 -14.224 6.923 1.00 0.00 O ATOM 136 CB LYS A 5 -7.789 -17.215 5.880 1.00 0.00 C ATOM 137 CG LYS A 5 -8.238 -18.155 7.000 1.00 0.00 C ATOM 138 CD LYS A 5 -7.198 -18.210 8.121 1.00 0.00 C ATOM 139 CE LYS A 5 -7.422 -17.083 9.132 1.00 0.00 C ATOM 140 NZ LYS A 5 -8.670 -17.312 9.894 1.00 0.00 N ATOM 0 H LYS A 5 -9.476 -14.802 4.509 1.00 0.00 H new ATOM 0 HA LYS A 5 -8.882 -15.820 7.017 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -8.038 -17.651 4.913 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -6.705 -17.100 5.909 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -9.193 -17.817 7.402 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -8.397 -19.155 6.598 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -7.254 -19.174 8.627 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -6.197 -18.130 7.697 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -6.576 -17.027 9.817 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -7.476 -16.126 8.613 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -8.609 -16.829 10.813 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -9.478 -16.936 9.358 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -8.801 -18.332 10.047 1.00 0.00 H new ATOM 154 N GLY A 6 -7.283 -14.209 4.688 1.00 0.00 N ATOM 155 CA GLY A 6 -6.380 -13.097 4.444 1.00 0.00 C ATOM 156 C GLY A 6 -7.097 -11.758 4.628 1.00 0.00 C ATOM 157 O GLY A 6 -6.462 -10.743 4.909 1.00 0.00 O ATOM 0 H GLY A 6 -7.734 -14.584 3.853 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -5.532 -13.156 5.126 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -5.980 -13.164 3.432 1.00 0.00 H new ATOM 161 N ALA A 7 -8.411 -11.799 4.463 1.00 0.00 N ATOM 162 CA ALA A 7 -9.222 -10.602 4.608 1.00 0.00 C ATOM 163 C ALA A 7 -9.126 -10.097 6.049 1.00 0.00 C ATOM 164 O ALA A 7 -9.188 -8.894 6.295 1.00 0.00 O ATOM 165 CB ALA A 7 -10.662 -10.906 4.192 1.00 0.00 C ATOM 0 H ALA A 7 -8.934 -12.643 4.230 1.00 0.00 H new ATOM 0 HA ALA A 7 -8.855 -9.810 3.956 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -11.270 -10.008 4.301 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -10.679 -11.232 3.152 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -11.065 -11.696 4.826 1.00 0.00 H new ATOM 171 N THR A 8 -8.976 -11.044 6.965 1.00 0.00 N ATOM 172 CA THR A 8 -8.871 -10.710 8.375 1.00 0.00 C ATOM 173 C THR A 8 -7.605 -9.891 8.637 1.00 0.00 C ATOM 174 O THR A 8 -7.437 -9.331 9.719 1.00 0.00 O ATOM 175 CB THR A 8 -8.927 -12.014 9.174 1.00 0.00 C ATOM 176 OG1 THR A 8 -10.193 -11.967 9.826 1.00 0.00 O ATOM 177 CG2 THR A 8 -7.917 -12.040 10.324 1.00 0.00 C ATOM 0 H THR A 8 -8.925 -12.041 6.758 1.00 0.00 H new ATOM 0 HA THR A 8 -9.700 -10.079 8.695 1.00 0.00 H new ATOM 0 HB THR A 8 -8.741 -12.856 8.508 1.00 0.00 H new ATOM 0 HG1 THR A 8 -10.313 -12.776 10.366 1.00 0.00 H new ATOM 0 HG21 THR A 8 -7.998 -12.987 10.858 1.00 0.00 H new ATOM 0 HG22 THR A 8 -6.908 -11.934 9.925 1.00 0.00 H new ATOM 0 HG23 THR A 8 -8.124 -11.218 11.009 1.00 0.00 H new ATOM 185 N LEU A 9 -6.748 -9.847 7.627 1.00 0.00 N ATOM 186 CA LEU A 9 -5.503 -9.106 7.735 1.00 0.00 C ATOM 187 C LEU A 9 -5.789 -7.611 7.579 1.00 0.00 C ATOM 188 O LEU A 9 -5.834 -6.878 8.566 1.00 0.00 O ATOM 189 CB LEU A 9 -4.473 -9.642 6.738 1.00 0.00 C ATOM 190 CG LEU A 9 -3.032 -9.733 7.246 1.00 0.00 C ATOM 191 CD1 LEU A 9 -2.382 -11.050 6.818 1.00 0.00 C ATOM 192 CD2 LEU A 9 -2.216 -8.518 6.799 1.00 0.00 C ATOM 0 H LEU A 9 -6.891 -10.312 6.731 1.00 0.00 H new ATOM 0 HA LEU A 9 -5.061 -9.245 8.722 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -4.788 -10.635 6.419 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -4.486 -9.004 5.854 1.00 0.00 H new ATOM 0 HG LEU A 9 -3.052 -9.724 8.336 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -1.359 -11.089 7.192 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -2.950 -11.886 7.227 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -2.373 -11.115 5.730 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -1.196 -8.607 7.173 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -2.200 -8.471 5.710 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -2.670 -7.609 7.195 1.00 0.00 H new ATOM 204 N PHE A 10 -5.977 -7.204 6.332 1.00 0.00 N ATOM 205 CA PHE A 10 -6.258 -5.810 6.035 1.00 0.00 C ATOM 206 C PHE A 10 -7.159 -5.192 7.105 1.00 0.00 C ATOM 207 O PHE A 10 -6.851 -4.129 7.644 1.00 0.00 O ATOM 208 CB PHE A 10 -6.987 -5.777 4.690 1.00 0.00 C ATOM 209 CG PHE A 10 -6.888 -4.436 3.961 1.00 0.00 C ATOM 210 CD1 PHE A 10 -7.118 -3.277 4.634 1.00 0.00 C ATOM 211 CD2 PHE A 10 -6.570 -4.402 2.639 1.00 0.00 C ATOM 212 CE1 PHE A 10 -7.026 -2.032 3.957 1.00 0.00 C ATOM 213 CE2 PHE A 10 -6.479 -3.158 1.962 1.00 0.00 C ATOM 214 CZ PHE A 10 -6.709 -1.999 2.636 1.00 0.00 C ATOM 0 H PHE A 10 -5.940 -7.815 5.516 1.00 0.00 H new ATOM 0 HA PHE A 10 -5.329 -5.241 6.008 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -6.580 -6.558 4.048 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -8.039 -6.014 4.852 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -7.371 -3.303 5.684 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -6.387 -5.322 2.104 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -7.208 -1.112 4.492 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -6.227 -3.132 0.912 1.00 0.00 H new ATOM 0 HZ PHE A 10 -6.640 -1.052 2.121 1.00 0.00 H new ATOM 224 N LYS A 11 -8.255 -5.883 7.382 1.00 0.00 N ATOM 225 CA LYS A 11 -9.203 -5.415 8.379 1.00 0.00 C ATOM 226 C LYS A 11 -8.441 -4.798 9.552 1.00 0.00 C ATOM 227 O LYS A 11 -8.920 -3.857 10.183 1.00 0.00 O ATOM 228 CB LYS A 11 -10.151 -6.544 8.787 1.00 0.00 C ATOM 229 CG LYS A 11 -11.057 -6.109 9.942 1.00 0.00 C ATOM 230 CD LYS A 11 -12.498 -5.917 9.465 1.00 0.00 C ATOM 231 CE LYS A 11 -13.332 -5.190 10.522 1.00 0.00 C ATOM 232 NZ LYS A 11 -13.979 -3.993 9.939 1.00 0.00 N ATOM 0 H LYS A 11 -8.508 -6.763 6.933 1.00 0.00 H new ATOM 0 HA LYS A 11 -9.837 -4.631 7.964 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -10.761 -6.838 7.933 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -9.573 -7.420 9.083 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -11.029 -6.858 10.733 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -10.685 -5.178 10.371 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -12.505 -5.347 8.536 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -12.945 -6.887 9.247 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -14.091 -5.863 10.921 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -12.696 -4.896 11.357 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -14.541 -3.512 10.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -13.250 -3.344 9.580 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -14.602 -4.281 9.157 1.00 0.00 H new ATOM 246 N THR A 12 -7.265 -5.352 9.810 1.00 0.00 N ATOM 247 CA THR A 12 -6.431 -4.867 10.896 1.00 0.00 C ATOM 248 C THR A 12 -4.982 -4.714 10.429 1.00 0.00 C ATOM 249 O THR A 12 -4.394 -5.656 9.899 1.00 0.00 O ATOM 250 CB THR A 12 -6.590 -5.826 12.078 1.00 0.00 C ATOM 251 OG1 THR A 12 -7.289 -5.059 13.055 1.00 0.00 O ATOM 252 CG2 THR A 12 -5.255 -6.156 12.749 1.00 0.00 C ATOM 0 H THR A 12 -6.870 -6.132 9.285 1.00 0.00 H new ATOM 0 HA THR A 12 -6.742 -3.874 11.220 1.00 0.00 H new ATOM 0 HB THR A 12 -7.062 -6.747 11.737 1.00 0.00 H new ATOM 0 HG1 THR A 12 -7.436 -5.605 13.855 1.00 0.00 H new ATOM 0 HG21 THR A 12 -5.425 -6.840 13.581 1.00 0.00 H new ATOM 0 HG22 THR A 12 -4.590 -6.625 12.024 1.00 0.00 H new ATOM 0 HG23 THR A 12 -4.798 -5.239 13.121 1.00 0.00 H new ATOM 260 N ARG A 13 -4.448 -3.521 10.643 1.00 0.00 N ATOM 261 CA ARG A 13 -3.080 -3.232 10.250 1.00 0.00 C ATOM 262 C ARG A 13 -3.040 -2.698 8.817 1.00 0.00 C ATOM 263 O ARG A 13 -2.003 -2.758 8.157 1.00 0.00 O ATOM 264 CB ARG A 13 -2.203 -4.483 10.346 1.00 0.00 C ATOM 265 CG ARG A 13 -2.422 -5.204 11.677 1.00 0.00 C ATOM 266 CD ARG A 13 -1.263 -4.942 12.640 1.00 0.00 C ATOM 267 NE ARG A 13 -0.846 -6.206 13.288 1.00 0.00 N ATOM 268 CZ ARG A 13 -0.331 -7.253 12.629 1.00 0.00 C ATOM 269 NH1 ARG A 13 -0.166 -7.194 11.301 1.00 0.00 N ATOM 270 NH2 ARG A 13 0.019 -8.360 13.299 1.00 0.00 N ATOM 0 H ARG A 13 -4.938 -2.743 11.084 1.00 0.00 H new ATOM 0 HA ARG A 13 -2.692 -2.477 10.933 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -2.433 -5.157 9.521 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -1.154 -4.205 10.247 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -3.356 -4.868 12.127 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -2.519 -6.276 11.502 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -0.422 -4.506 12.100 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -1.565 -4.218 13.397 1.00 0.00 H new ATOM 0 HE ARG A 13 -0.958 -6.285 14.299 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -0.432 -6.352 10.791 1.00 0.00 H new ATOM 0 HH12 ARG A 13 0.226 -7.991 10.800 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -0.107 -8.405 14.310 1.00 0.00 H new ATOM 0 HH22 ARG A 13 0.411 -9.157 12.798 1.00 0.00 H new ATOM 284 N CYS A 14 -4.181 -2.190 8.377 1.00 0.00 N ATOM 285 CA CYS A 14 -4.290 -1.646 7.034 1.00 0.00 C ATOM 286 C CYS A 14 -5.443 -0.641 7.014 1.00 0.00 C ATOM 287 O CYS A 14 -5.218 0.566 6.932 1.00 0.00 O ATOM 288 CB CYS A 14 -4.477 -2.750 5.990 1.00 0.00 C ATOM 289 SG CYS A 14 -3.090 -3.938 5.873 1.00 0.00 S ATOM 0 H CYS A 14 -5.039 -2.143 8.927 1.00 0.00 H new ATOM 0 HA CYS A 14 -3.363 -1.138 6.769 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -5.389 -3.300 6.222 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -4.624 -2.287 5.014 1.00 0.00 H new ATOM 0 HG CYS A 14 -2.243 -3.712 6.833 1.00 0.00 H new ATOM 294 N LEU A 15 -6.653 -1.175 7.091 1.00 0.00 N ATOM 295 CA LEU A 15 -7.842 -0.340 7.083 1.00 0.00 C ATOM 296 C LEU A 15 -7.642 0.833 8.045 1.00 0.00 C ATOM 297 O LEU A 15 -8.248 1.890 7.876 1.00 0.00 O ATOM 298 CB LEU A 15 -9.087 -1.176 7.383 1.00 0.00 C ATOM 299 CG LEU A 15 -10.237 -1.049 6.383 1.00 0.00 C ATOM 300 CD1 LEU A 15 -9.767 -1.366 4.962 1.00 0.00 C ATOM 301 CD2 LEU A 15 -11.425 -1.919 6.800 1.00 0.00 C ATOM 0 H LEU A 15 -6.836 -2.176 7.159 1.00 0.00 H new ATOM 0 HA LEU A 15 -8.003 0.084 6.092 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -8.792 -2.224 7.436 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -9.458 -0.898 8.370 1.00 0.00 H new ATOM 0 HG LEU A 15 -10.578 -0.014 6.386 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -10.605 -1.268 4.271 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -8.978 -0.671 4.676 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -9.383 -2.386 4.925 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -12.229 -1.810 6.072 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -11.114 -2.963 6.844 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -11.779 -1.605 7.782 1.00 0.00 H new ATOM 313 N GLN A 16 -6.790 0.607 9.034 1.00 0.00 N ATOM 314 CA GLN A 16 -6.503 1.631 10.024 1.00 0.00 C ATOM 315 C GLN A 16 -6.052 2.922 9.336 1.00 0.00 C ATOM 316 O GLN A 16 -6.235 4.013 9.874 1.00 0.00 O ATOM 317 CB GLN A 16 -5.452 1.148 11.025 1.00 0.00 C ATOM 318 CG GLN A 16 -4.065 1.097 10.383 1.00 0.00 C ATOM 319 CD GLN A 16 -3.000 0.702 11.408 1.00 0.00 C ATOM 320 OE1 GLN A 16 -2.361 -0.333 11.310 1.00 0.00 O ATOM 321 NE2 GLN A 16 -2.846 1.581 12.394 1.00 0.00 N ATOM 0 H GLN A 16 -6.289 -0.271 9.171 1.00 0.00 H new ATOM 0 HA GLN A 16 -7.418 1.838 10.580 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -5.433 1.814 11.887 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -5.723 0.158 11.393 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -4.067 0.381 9.561 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -3.822 2.070 9.957 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -3.414 2.428 12.416 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -2.160 1.408 13.129 1.00 0.00 H new ATOM 330 N CYS A 17 -5.471 2.755 8.157 1.00 0.00 N ATOM 331 CA CYS A 17 -4.992 3.892 7.391 1.00 0.00 C ATOM 332 C CYS A 17 -5.840 4.008 6.122 1.00 0.00 C ATOM 333 O CYS A 17 -6.486 4.992 5.751 1.00 0.00 O ATOM 334 CB CYS A 17 -3.501 3.772 7.072 1.00 0.00 C ATOM 335 SG CYS A 17 -2.397 3.825 8.530 1.00 0.00 S ATOM 0 H CYS A 17 -5.321 1.849 7.714 1.00 0.00 H new ATOM 0 HA CYS A 17 -5.097 4.802 7.982 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -3.332 2.836 6.540 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -3.223 4.579 6.394 1.00 0.00 H new ATOM 340 N HIS A 18 -5.864 2.876 5.332 1.00 0.00 N ATOM 341 CA HIS A 18 -6.304 2.877 3.922 1.00 0.00 C ATOM 342 C HIS A 18 -7.684 2.285 3.676 1.00 0.00 C ATOM 343 O HIS A 18 -8.206 1.423 4.380 1.00 0.00 O ATOM 344 CB HIS A 18 -5.380 1.993 3.073 1.00 0.00 C ATOM 345 CG HIS A 18 -3.914 2.301 2.923 1.00 0.00 C ATOM 346 ND1 HIS A 18 -3.444 3.240 2.075 1.00 0.00 N ATOM 347 CD2 HIS A 18 -2.812 1.706 3.505 1.00 0.00 C ATOM 348 CE1 HIS A 18 -2.197 3.273 2.154 1.00 0.00 C ATOM 349 NE2 HIS A 18 -1.714 2.314 3.000 1.00 0.00 N ATOM 0 H HIS A 18 -5.578 1.957 5.669 1.00 0.00 H new ATOM 0 HA HIS A 18 -6.296 3.935 3.659 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -5.452 0.982 3.475 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -5.802 1.967 2.068 1.00 0.00 H new ATOM 0 HD1 HIS A 18 -4.015 3.828 1.467 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -2.824 0.904 4.229 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -1.576 3.975 1.618 1.00 0.00 H new ATOM 357 N THR A 19 -8.252 2.829 2.610 1.00 0.00 N ATOM 358 CA THR A 19 -9.583 2.429 2.185 1.00 0.00 C ATOM 359 C THR A 19 -9.509 1.621 0.888 1.00 0.00 C ATOM 360 O THR A 19 -8.948 2.083 -0.104 1.00 0.00 O ATOM 361 CB THR A 19 -10.441 3.690 2.067 1.00 0.00 C ATOM 362 OG1 THR A 19 -11.460 3.332 1.137 1.00 0.00 O ATOM 363 CG2 THR A 19 -9.700 4.840 1.382 1.00 0.00 C ATOM 0 H THR A 19 -7.815 3.543 2.028 1.00 0.00 H new ATOM 0 HA THR A 19 -10.049 1.769 2.916 1.00 0.00 H new ATOM 0 HB THR A 19 -10.762 4.004 3.060 1.00 0.00 H new ATOM 0 HG1 THR A 19 -12.062 4.093 1.003 1.00 0.00 H new ATOM 0 HG21 THR A 19 -10.353 5.710 1.324 1.00 0.00 H new ATOM 0 HG22 THR A 19 -8.809 5.093 1.957 1.00 0.00 H new ATOM 0 HG23 THR A 19 -9.409 4.537 0.376 1.00 0.00 H new ATOM 371 N VAL A 20 -10.082 0.428 0.938 1.00 0.00 N ATOM 372 CA VAL A 20 -10.088 -0.449 -0.220 1.00 0.00 C ATOM 373 C VAL A 20 -11.356 -0.199 -1.038 1.00 0.00 C ATOM 374 O VAL A 20 -11.403 -0.507 -2.228 1.00 0.00 O ATOM 375 CB VAL A 20 -9.942 -1.906 0.225 1.00 0.00 C ATOM 376 CG1 VAL A 20 -11.018 -2.277 1.247 1.00 0.00 C ATOM 377 CG2 VAL A 20 -9.976 -2.853 -0.976 1.00 0.00 C ATOM 0 H VAL A 20 -10.546 0.048 1.763 1.00 0.00 H new ATOM 0 HA VAL A 20 -9.237 -0.233 -0.866 1.00 0.00 H new ATOM 0 HB VAL A 20 -8.970 -2.013 0.707 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -10.892 -3.317 1.547 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -10.926 -1.634 2.122 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -12.004 -2.145 0.801 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -9.870 -3.882 -0.631 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -10.925 -2.742 -1.500 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -9.157 -2.611 -1.653 1.00 0.00 H new ATOM 387 N GLU A 21 -12.354 0.359 -0.367 1.00 0.00 N ATOM 388 CA GLU A 21 -13.619 0.654 -1.017 1.00 0.00 C ATOM 389 C GLU A 21 -13.490 1.908 -1.884 1.00 0.00 C ATOM 390 O GLU A 21 -12.580 2.712 -1.688 1.00 0.00 O ATOM 391 CB GLU A 21 -14.740 0.812 0.012 1.00 0.00 C ATOM 392 CG GLU A 21 -14.549 -0.153 1.183 1.00 0.00 C ATOM 393 CD GLU A 21 -15.883 -0.453 1.871 1.00 0.00 C ATOM 394 OE1 GLU A 21 -16.906 -0.444 1.153 1.00 0.00 O ATOM 395 OE2 GLU A 21 -15.849 -0.683 3.099 1.00 0.00 O ATOM 0 H GLU A 21 -12.311 0.614 0.620 1.00 0.00 H new ATOM 0 HA GLU A 21 -13.878 -0.185 -1.662 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -14.758 1.838 0.381 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -15.703 0.627 -0.463 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -14.104 -1.081 0.825 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -13.853 0.277 1.903 1.00 0.00 H new ATOM 402 N LYS A 22 -14.415 2.037 -2.824 1.00 0.00 N ATOM 403 CA LYS A 22 -14.416 3.179 -3.722 1.00 0.00 C ATOM 404 C LYS A 22 -15.000 4.393 -2.995 1.00 0.00 C ATOM 405 O LYS A 22 -15.658 4.247 -1.966 1.00 0.00 O ATOM 406 CB LYS A 22 -15.141 2.836 -5.025 1.00 0.00 C ATOM 407 CG LYS A 22 -14.733 3.793 -6.147 1.00 0.00 C ATOM 408 CD LYS A 22 -15.038 3.190 -7.520 1.00 0.00 C ATOM 409 CE LYS A 22 -13.775 3.119 -8.380 1.00 0.00 C ATOM 410 NZ LYS A 22 -14.083 3.476 -9.783 1.00 0.00 N ATOM 0 H LYS A 22 -15.169 1.369 -2.983 1.00 0.00 H new ATOM 0 HA LYS A 22 -13.397 3.438 -4.010 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -14.911 1.811 -5.315 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -16.219 2.889 -4.871 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -15.264 4.738 -6.035 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -13.668 4.015 -6.072 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -15.456 2.191 -7.398 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -15.793 3.791 -8.026 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -13.019 3.797 -7.983 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -13.355 2.114 -8.338 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -13.215 3.423 -10.353 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -14.788 2.813 -10.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -14.463 4.444 -9.820 1.00 0.00 H new ATOM 424 N GLY A 23 -14.737 5.563 -3.558 1.00 0.00 N ATOM 425 CA GLY A 23 -15.228 6.800 -2.977 1.00 0.00 C ATOM 426 C GLY A 23 -14.640 7.022 -1.582 1.00 0.00 C ATOM 427 O GLY A 23 -15.379 7.178 -0.611 1.00 0.00 O ATOM 0 H GLY A 23 -14.190 5.680 -4.411 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -14.967 7.638 -3.623 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -16.316 6.771 -2.917 1.00 0.00 H new ATOM 431 N GLY A 24 -13.316 7.027 -1.526 1.00 0.00 N ATOM 432 CA GLY A 24 -12.621 7.227 -0.266 1.00 0.00 C ATOM 433 C GLY A 24 -11.953 8.603 -0.220 1.00 0.00 C ATOM 434 O GLY A 24 -11.193 8.958 -1.120 1.00 0.00 O ATOM 0 H GLY A 24 -12.706 6.896 -2.333 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -13.325 7.133 0.561 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -11.869 6.449 -0.134 1.00 0.00 H new ATOM 438 N PRO A 25 -12.270 9.359 0.865 1.00 0.00 N ATOM 439 CA PRO A 25 -11.709 10.688 1.040 1.00 0.00 C ATOM 440 C PRO A 25 -10.245 10.612 1.477 1.00 0.00 C ATOM 441 O PRO A 25 -9.549 11.627 1.508 1.00 0.00 O ATOM 442 CB PRO A 25 -12.602 11.359 2.070 1.00 0.00 C ATOM 443 CG PRO A 25 -13.344 10.235 2.774 1.00 0.00 C ATOM 444 CD PRO A 25 -13.166 8.971 1.949 1.00 0.00 C ATOM 0 HA PRO A 25 -11.691 11.262 0.114 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -12.012 11.941 2.778 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -13.299 12.048 1.593 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -12.953 10.092 3.781 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -14.401 10.480 2.874 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -12.739 8.165 2.546 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -14.120 8.612 1.564 1.00 0.00 H new ATOM 452 N HIS A 26 -9.820 9.401 1.803 1.00 0.00 N ATOM 453 CA HIS A 26 -8.451 9.179 2.236 1.00 0.00 C ATOM 454 C HIS A 26 -8.332 9.475 3.733 1.00 0.00 C ATOM 455 O HIS A 26 -8.884 10.461 4.220 1.00 0.00 O ATOM 456 CB HIS A 26 -7.474 9.998 1.391 1.00 0.00 C ATOM 457 CG HIS A 26 -7.805 10.020 -0.082 1.00 0.00 C ATOM 458 ND1 HIS A 26 -8.386 10.985 -0.851 1.00 0.00 N flip ATOM 459 CD2 HIS A 26 -7.536 8.957 -0.927 1.00 0.00 C flip ATOM 460 CE1 HIS A 26 -8.467 10.536 -2.098 1.00 0.00 C flip ATOM 461 NE2 HIS A 26 -7.940 9.279 -2.147 1.00 0.00 N flip ATOM 0 H HIS A 26 -10.400 8.562 1.776 1.00 0.00 H new ATOM 0 HA HIS A 26 -8.183 8.133 2.085 1.00 0.00 H new ATOM 0 HB2 HIS A 26 -7.457 11.022 1.764 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -6.470 9.594 1.521 1.00 0.00 H new ATOM 0 HD1 HIS A 26 -8.704 11.897 -0.524 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -7.075 8.023 -0.640 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -8.882 11.077 -2.936 1.00 0.00 H new ATOM 469 N LYS A 27 -7.608 8.604 4.420 1.00 0.00 N ATOM 470 CA LYS A 27 -7.410 8.760 5.851 1.00 0.00 C ATOM 471 C LYS A 27 -5.931 9.032 6.130 1.00 0.00 C ATOM 472 O LYS A 27 -5.461 10.157 5.967 1.00 0.00 O ATOM 473 CB LYS A 27 -7.966 7.549 6.604 1.00 0.00 C ATOM 474 CG LYS A 27 -9.425 7.775 7.006 1.00 0.00 C ATOM 475 CD LYS A 27 -9.526 8.768 8.165 1.00 0.00 C ATOM 476 CE LYS A 27 -10.008 8.074 9.441 1.00 0.00 C ATOM 477 NZ LYS A 27 -8.916 7.273 10.038 1.00 0.00 N ATOM 0 H LYS A 27 -7.151 7.788 4.012 1.00 0.00 H new ATOM 0 HA LYS A 27 -7.968 9.620 6.221 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -7.891 6.661 5.977 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -7.365 7.362 7.494 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -9.988 8.150 6.151 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -9.878 6.826 7.295 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -8.553 9.227 8.341 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -10.214 9.571 7.902 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -10.355 8.818 10.158 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -10.857 7.430 9.213 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -9.259 6.808 10.903 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -8.603 6.551 9.358 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -8.117 7.896 10.273 1.00 0.00 H new ATOM 491 N VAL A 28 -5.237 7.982 6.546 1.00 0.00 N ATOM 492 CA VAL A 28 -3.821 8.094 6.849 1.00 0.00 C ATOM 493 C VAL A 28 -3.012 7.902 5.564 1.00 0.00 C ATOM 494 O VAL A 28 -1.879 8.370 5.465 1.00 0.00 O ATOM 495 CB VAL A 28 -3.441 7.100 7.949 1.00 0.00 C ATOM 496 CG1 VAL A 28 -1.935 7.128 8.217 1.00 0.00 C ATOM 497 CG2 VAL A 28 -4.231 7.371 9.230 1.00 0.00 C ATOM 0 H VAL A 28 -5.630 7.050 6.680 1.00 0.00 H new ATOM 0 HA VAL A 28 -3.590 9.088 7.233 1.00 0.00 H new ATOM 0 HB VAL A 28 -3.701 6.100 7.601 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -1.692 6.413 9.003 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -1.398 6.863 7.306 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -1.640 8.129 8.533 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -3.942 6.651 9.995 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -4.018 8.380 9.582 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -5.298 7.276 9.027 1.00 0.00 H new ATOM 507 N GLY A 29 -3.626 7.213 4.614 1.00 0.00 N ATOM 508 CA GLY A 29 -2.977 6.954 3.340 1.00 0.00 C ATOM 509 C GLY A 29 -3.971 7.076 2.183 1.00 0.00 C ATOM 510 O GLY A 29 -5.177 7.183 2.405 1.00 0.00 O ATOM 0 H GLY A 29 -4.566 6.826 4.701 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -2.157 7.658 3.196 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -2.542 5.955 3.346 1.00 0.00 H new ATOM 514 N PRO A 30 -3.415 7.056 0.943 1.00 0.00 N ATOM 515 CA PRO A 30 -4.239 7.163 -0.249 1.00 0.00 C ATOM 516 C PRO A 30 -4.981 5.853 -0.523 1.00 0.00 C ATOM 517 O PRO A 30 -4.622 4.808 0.018 1.00 0.00 O ATOM 518 CB PRO A 30 -3.276 7.543 -1.361 1.00 0.00 C ATOM 519 CG PRO A 30 -1.889 7.181 -0.853 1.00 0.00 C ATOM 520 CD PRO A 30 -1.992 6.930 0.642 1.00 0.00 C ATOM 0 HA PRO A 30 -5.026 7.910 -0.149 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -3.508 7.005 -2.280 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -3.343 8.607 -1.589 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -1.515 6.294 -1.364 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -1.185 7.988 -1.057 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -1.618 5.940 0.904 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -1.403 7.653 1.206 1.00 0.00 H new ATOM 528 N ASN A 31 -6.003 5.952 -1.361 1.00 0.00 N ATOM 529 CA ASN A 31 -6.798 4.788 -1.712 1.00 0.00 C ATOM 530 C ASN A 31 -5.954 3.837 -2.563 1.00 0.00 C ATOM 531 O ASN A 31 -5.248 4.272 -3.471 1.00 0.00 O ATOM 532 CB ASN A 31 -8.028 5.188 -2.530 1.00 0.00 C ATOM 533 CG ASN A 31 -9.288 4.506 -1.994 1.00 0.00 C ATOM 534 OD1 ASN A 31 -9.462 3.302 -2.092 1.00 0.00 O ATOM 535 ND2 ASN A 31 -10.154 5.339 -1.425 1.00 0.00 N ATOM 0 H ASN A 31 -6.298 6.821 -1.807 1.00 0.00 H new ATOM 0 HA ASN A 31 -7.119 4.308 -0.788 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -8.154 6.270 -2.498 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -7.879 4.915 -3.575 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -11.027 4.981 -1.037 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -9.946 6.336 -1.376 1.00 0.00 H new ATOM 542 N LEU A 32 -6.055 2.556 -2.238 1.00 0.00 N ATOM 543 CA LEU A 32 -5.310 1.540 -2.961 1.00 0.00 C ATOM 544 C LEU A 32 -6.139 1.055 -4.151 1.00 0.00 C ATOM 545 O LEU A 32 -5.632 0.959 -5.268 1.00 0.00 O ATOM 546 CB LEU A 32 -4.878 0.418 -2.014 1.00 0.00 C ATOM 547 CG LEU A 32 -3.885 0.810 -0.918 1.00 0.00 C ATOM 548 CD1 LEU A 32 -3.262 -0.430 -0.274 1.00 0.00 C ATOM 549 CD2 LEU A 32 -2.824 1.770 -1.457 1.00 0.00 C ATOM 0 H LEU A 32 -6.642 2.199 -1.484 1.00 0.00 H new ATOM 0 HA LEU A 32 -4.388 1.959 -3.365 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -5.769 0.007 -1.539 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -4.436 -0.382 -2.608 1.00 0.00 H new ATOM 0 HG LEU A 32 -4.430 1.339 -0.137 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -2.560 -0.123 0.502 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -4.047 -1.043 0.169 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -2.735 -1.008 -1.033 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -2.131 2.033 -0.658 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -2.277 1.289 -2.268 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -3.307 2.673 -1.830 1.00 0.00 H new ATOM 561 N HIS A 33 -7.401 0.762 -3.872 1.00 0.00 N ATOM 562 CA HIS A 33 -8.306 0.290 -4.906 1.00 0.00 C ATOM 563 C HIS A 33 -8.037 1.047 -6.209 1.00 0.00 C ATOM 564 O HIS A 33 -8.432 2.202 -6.353 1.00 0.00 O ATOM 565 CB HIS A 33 -9.761 0.400 -4.447 1.00 0.00 C ATOM 566 CG HIS A 33 -10.478 1.625 -4.964 1.00 0.00 C ATOM 567 ND1 HIS A 33 -10.664 2.763 -4.199 1.00 0.00 N ATOM 568 CD2 HIS A 33 -11.050 1.877 -6.176 1.00 0.00 C ATOM 569 CE1 HIS A 33 -11.321 3.653 -4.928 1.00 0.00 C ATOM 570 NE2 HIS A 33 -11.560 3.102 -6.153 1.00 0.00 N ATOM 0 H HIS A 33 -7.818 0.842 -2.945 1.00 0.00 H new ATOM 0 HA HIS A 33 -8.125 -0.768 -5.097 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -10.302 -0.489 -4.772 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -9.788 0.409 -3.357 1.00 0.00 H new ATOM 0 HD1 HIS A 33 -10.349 2.894 -3.238 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -11.082 1.195 -7.013 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -11.616 4.642 -4.608 1.00 0.00 H new ATOM 578 N GLY A 34 -7.365 0.364 -7.124 1.00 0.00 N ATOM 579 CA GLY A 34 -7.038 0.957 -8.410 1.00 0.00 C ATOM 580 C GLY A 34 -5.554 0.779 -8.734 1.00 0.00 C ATOM 581 O GLY A 34 -5.165 0.779 -9.901 1.00 0.00 O ATOM 0 H GLY A 34 -7.038 -0.594 -7.001 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -7.642 0.496 -9.191 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -7.287 2.018 -8.399 1.00 0.00 H new ATOM 585 N ILE A 35 -4.764 0.632 -7.680 1.00 0.00 N ATOM 586 CA ILE A 35 -3.331 0.454 -7.838 1.00 0.00 C ATOM 587 C ILE A 35 -3.065 -0.818 -8.646 1.00 0.00 C ATOM 588 O ILE A 35 -3.936 -1.286 -9.378 1.00 0.00 O ATOM 589 CB ILE A 35 -2.635 0.474 -6.476 1.00 0.00 C ATOM 590 CG1 ILE A 35 -3.158 -0.649 -5.577 1.00 0.00 C ATOM 591 CG2 ILE A 35 -2.766 1.846 -5.813 1.00 0.00 C ATOM 592 CD1 ILE A 35 -2.543 -1.995 -5.967 1.00 0.00 C ATOM 0 H ILE A 35 -5.090 0.633 -6.713 1.00 0.00 H new ATOM 0 HA ILE A 35 -2.904 1.284 -8.400 1.00 0.00 H new ATOM 0 HB ILE A 35 -1.572 0.293 -6.633 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -2.923 -0.426 -4.536 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -4.244 -0.705 -5.654 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -2.263 1.833 -4.846 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -2.309 2.603 -6.450 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -3.821 2.082 -5.670 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -2.931 -2.776 -5.313 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -2.800 -2.227 -7.001 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -1.459 -1.943 -5.866 1.00 0.00 H new ATOM 604 N PHE A 36 -1.859 -1.342 -8.485 1.00 0.00 N ATOM 605 CA PHE A 36 -1.468 -2.551 -9.190 1.00 0.00 C ATOM 606 C PHE A 36 -1.588 -2.365 -10.705 1.00 0.00 C ATOM 607 O PHE A 36 -2.654 -2.585 -11.278 1.00 0.00 O ATOM 608 CB PHE A 36 -2.427 -3.657 -8.747 1.00 0.00 C ATOM 609 CG PHE A 36 -1.992 -4.383 -7.472 1.00 0.00 C ATOM 610 CD1 PHE A 36 -0.686 -4.715 -7.290 1.00 0.00 C ATOM 611 CD2 PHE A 36 -2.912 -4.695 -6.520 1.00 0.00 C ATOM 612 CE1 PHE A 36 -0.282 -5.388 -6.107 1.00 0.00 C ATOM 613 CE2 PHE A 36 -2.508 -5.368 -5.336 1.00 0.00 C ATOM 614 CZ PHE A 36 -1.202 -5.701 -5.155 1.00 0.00 C ATOM 0 H PHE A 36 -1.139 -0.951 -7.877 1.00 0.00 H new ATOM 0 HA PHE A 36 -0.431 -2.796 -8.961 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -3.415 -3.225 -8.588 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -2.523 -4.385 -9.553 1.00 0.00 H new ATOM 0 HD1 PHE A 36 0.044 -4.467 -8.046 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -3.949 -4.431 -6.664 1.00 0.00 H new ATOM 0 HE1 PHE A 36 0.755 -5.651 -5.963 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -3.238 -5.615 -4.580 1.00 0.00 H new ATOM 0 HZ PHE A 36 -0.895 -6.214 -4.255 1.00 0.00 H new ATOM 624 N GLY A 37 -0.479 -1.963 -11.309 1.00 0.00 N ATOM 625 CA GLY A 37 -0.447 -1.746 -12.745 1.00 0.00 C ATOM 626 C GLY A 37 0.014 -0.324 -13.074 1.00 0.00 C ATOM 627 O GLY A 37 0.314 -0.016 -14.227 1.00 0.00 O ATOM 0 H GLY A 37 0.403 -1.782 -10.830 1.00 0.00 H new ATOM 0 HA2 GLY A 37 0.225 -2.467 -13.211 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -1.438 -1.917 -13.165 1.00 0.00 H new ATOM 631 N ARG A 38 0.055 0.504 -12.041 1.00 0.00 N ATOM 632 CA ARG A 38 0.474 1.886 -12.206 1.00 0.00 C ATOM 633 C ARG A 38 1.807 2.125 -11.494 1.00 0.00 C ATOM 634 O ARG A 38 2.316 1.240 -10.807 1.00 0.00 O ATOM 635 CB ARG A 38 -0.574 2.850 -11.647 1.00 0.00 C ATOM 636 CG ARG A 38 -1.644 3.164 -12.695 1.00 0.00 C ATOM 637 CD ARG A 38 -1.006 3.595 -14.018 1.00 0.00 C ATOM 638 NE ARG A 38 -1.957 4.421 -14.793 1.00 0.00 N ATOM 639 CZ ARG A 38 -2.890 3.920 -15.615 1.00 0.00 C ATOM 640 NH1 ARG A 38 -3.002 2.594 -15.773 1.00 0.00 N ATOM 641 NH2 ARG A 38 -3.711 4.746 -16.279 1.00 0.00 N ATOM 0 H ARG A 38 -0.195 0.245 -11.087 1.00 0.00 H new ATOM 0 HA ARG A 38 0.589 2.072 -13.274 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -1.041 2.413 -10.764 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -0.091 3.773 -11.328 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -2.268 2.285 -12.857 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -2.297 3.955 -12.327 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -0.094 4.160 -13.824 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -0.719 2.717 -14.596 1.00 0.00 H new ATOM 0 HE ARG A 38 -1.899 5.435 -14.696 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -2.377 1.966 -15.268 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -3.712 2.213 -16.398 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -3.626 5.755 -16.159 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -4.421 4.365 -16.905 1.00 0.00 H new ATOM 655 N HIS A 39 2.335 3.325 -11.682 1.00 0.00 N ATOM 656 CA HIS A 39 3.600 3.692 -11.067 1.00 0.00 C ATOM 657 C HIS A 39 3.337 4.378 -9.725 1.00 0.00 C ATOM 658 O HIS A 39 2.754 5.461 -9.681 1.00 0.00 O ATOM 659 CB HIS A 39 4.439 4.548 -12.017 1.00 0.00 C ATOM 660 CG HIS A 39 5.357 3.752 -12.913 1.00 0.00 C ATOM 661 ND1 HIS A 39 5.610 4.101 -14.228 1.00 0.00 N ATOM 662 CD2 HIS A 39 6.081 2.621 -12.668 1.00 0.00 C ATOM 663 CE1 HIS A 39 6.449 3.213 -14.742 1.00 0.00 C ATOM 664 NE2 HIS A 39 6.739 2.297 -13.774 1.00 0.00 N ATOM 0 H HIS A 39 1.910 4.057 -12.252 1.00 0.00 H new ATOM 0 HA HIS A 39 4.186 2.795 -10.869 1.00 0.00 H new ATOM 0 HB2 HIS A 39 3.771 5.145 -12.637 1.00 0.00 H new ATOM 0 HB3 HIS A 39 5.036 5.245 -11.430 1.00 0.00 H new ATOM 0 HD2 HIS A 39 6.113 2.082 -11.733 1.00 0.00 H new ATOM 0 HE1 HIS A 39 6.835 3.214 -15.751 1.00 0.00 H new ATOM 0 HE2 HIS A 39 7.360 1.495 -13.882 1.00 0.00 H new ATOM 672 N SER A 40 3.780 3.721 -8.664 1.00 0.00 N ATOM 673 CA SER A 40 3.600 4.255 -7.324 1.00 0.00 C ATOM 674 C SER A 40 2.223 4.910 -7.202 1.00 0.00 C ATOM 675 O SER A 40 1.327 4.632 -7.998 1.00 0.00 O ATOM 676 CB SER A 40 4.700 5.262 -6.980 1.00 0.00 C ATOM 677 OG SER A 40 4.597 6.451 -7.759 1.00 0.00 O ATOM 0 H SER A 40 4.263 2.824 -8.704 1.00 0.00 H new ATOM 0 HA SER A 40 3.666 3.430 -6.615 1.00 0.00 H new ATOM 0 HB2 SER A 40 4.641 5.516 -5.922 1.00 0.00 H new ATOM 0 HB3 SER A 40 5.675 4.804 -7.144 1.00 0.00 H new ATOM 0 HG SER A 40 3.967 6.306 -8.495 1.00 0.00 H new ATOM 683 N GLY A 41 2.098 5.768 -6.201 1.00 0.00 N ATOM 684 CA GLY A 41 0.845 6.465 -5.965 1.00 0.00 C ATOM 685 C GLY A 41 0.406 7.240 -7.209 1.00 0.00 C ATOM 686 O GLY A 41 1.216 7.917 -7.841 1.00 0.00 O ATOM 0 H GLY A 41 2.844 5.997 -5.544 1.00 0.00 H new ATOM 0 HA2 GLY A 41 0.072 5.748 -5.688 1.00 0.00 H new ATOM 0 HA3 GLY A 41 0.959 7.151 -5.126 1.00 0.00 H new ATOM 690 N GLN A 42 -0.875 7.115 -7.523 1.00 0.00 N ATOM 691 CA GLN A 42 -1.431 7.795 -8.681 1.00 0.00 C ATOM 692 C GLN A 42 -2.651 8.624 -8.273 1.00 0.00 C ATOM 693 O GLN A 42 -3.525 8.893 -9.096 1.00 0.00 O ATOM 694 CB GLN A 42 -1.790 6.797 -9.783 1.00 0.00 C ATOM 695 CG GLN A 42 -0.534 6.303 -10.505 1.00 0.00 C ATOM 696 CD GLN A 42 -0.781 6.177 -12.010 1.00 0.00 C ATOM 697 OE1 GLN A 42 -1.906 6.109 -12.477 1.00 0.00 O ATOM 698 NE2 GLN A 42 0.331 6.149 -12.740 1.00 0.00 N ATOM 0 H GLN A 42 -1.544 6.553 -6.996 1.00 0.00 H new ATOM 0 HA GLN A 42 -0.674 8.470 -9.081 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -2.323 5.950 -9.352 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -2.464 7.267 -10.499 1.00 0.00 H new ATOM 0 HG2 GLN A 42 0.289 6.994 -10.324 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -0.234 5.337 -10.100 1.00 0.00 H new ATOM 0 HE21 GLN A 42 1.242 6.210 -12.285 1.00 0.00 H new ATOM 0 HE22 GLN A 42 0.273 6.066 -13.755 1.00 0.00 H new ATOM 707 N ALA A 43 -2.671 9.005 -7.005 1.00 0.00 N ATOM 708 CA ALA A 43 -3.769 9.798 -6.479 1.00 0.00 C ATOM 709 C ALA A 43 -3.646 11.234 -6.990 1.00 0.00 C ATOM 710 O ALA A 43 -2.600 11.863 -6.841 1.00 0.00 O ATOM 711 CB ALA A 43 -3.768 9.721 -4.950 1.00 0.00 C ATOM 0 H ALA A 43 -1.944 8.779 -6.326 1.00 0.00 H new ATOM 0 HA ALA A 43 -4.725 9.406 -6.825 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -4.592 10.316 -4.555 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -3.887 8.684 -4.638 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -2.824 10.109 -4.567 1.00 0.00 H new ATOM 717 N GLU A 44 -4.731 11.712 -7.583 1.00 0.00 N ATOM 718 CA GLU A 44 -4.758 13.063 -8.118 1.00 0.00 C ATOM 719 C GLU A 44 -5.710 13.938 -7.301 1.00 0.00 C ATOM 720 O GLU A 44 -6.914 13.951 -7.549 1.00 0.00 O ATOM 721 CB GLU A 44 -5.150 13.059 -9.597 1.00 0.00 C ATOM 722 CG GLU A 44 -5.071 14.468 -10.188 1.00 0.00 C ATOM 723 CD GLU A 44 -5.000 14.418 -11.716 1.00 0.00 C ATOM 724 OE1 GLU A 44 -4.383 13.457 -12.224 1.00 0.00 O ATOM 725 OE2 GLU A 44 -5.563 15.343 -12.341 1.00 0.00 O ATOM 0 H GLU A 44 -5.597 11.188 -7.705 1.00 0.00 H new ATOM 0 HA GLU A 44 -3.755 13.483 -8.043 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -4.490 12.391 -10.150 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -6.162 12.670 -9.708 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -5.943 15.045 -9.879 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -4.193 14.982 -9.796 1.00 0.00 H new ATOM 732 N GLY A 45 -5.133 14.649 -6.342 1.00 0.00 N ATOM 733 CA GLY A 45 -5.916 15.525 -5.487 1.00 0.00 C ATOM 734 C GLY A 45 -5.416 15.469 -4.042 1.00 0.00 C ATOM 735 O GLY A 45 -5.219 16.506 -3.409 1.00 0.00 O ATOM 0 H GLY A 45 -4.134 14.636 -6.139 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -5.857 16.549 -5.857 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -6.965 15.233 -5.524 1.00 0.00 H new ATOM 739 N TYR A 46 -5.225 14.249 -3.561 1.00 0.00 N ATOM 740 CA TYR A 46 -4.752 14.045 -2.203 1.00 0.00 C ATOM 741 C TYR A 46 -3.254 14.335 -2.095 1.00 0.00 C ATOM 742 O TYR A 46 -2.456 13.793 -2.858 1.00 0.00 O ATOM 743 CB TYR A 46 -4.998 12.568 -1.888 1.00 0.00 C ATOM 744 CG TYR A 46 -4.504 12.136 -0.506 1.00 0.00 C ATOM 745 CD1 TYR A 46 -3.151 12.024 -0.261 1.00 0.00 C ATOM 746 CD2 TYR A 46 -5.412 11.858 0.495 1.00 0.00 C ATOM 747 CE1 TYR A 46 -2.686 11.617 1.040 1.00 0.00 C ATOM 748 CE2 TYR A 46 -4.948 11.451 1.796 1.00 0.00 C ATOM 749 CZ TYR A 46 -3.608 11.351 2.004 1.00 0.00 C ATOM 750 OH TYR A 46 -3.169 10.966 3.233 1.00 0.00 O ATOM 0 H TYR A 46 -5.390 13.392 -4.088 1.00 0.00 H new ATOM 0 HA TYR A 46 -5.269 14.711 -1.512 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -6.066 12.365 -1.961 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -4.505 11.959 -2.646 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -2.440 12.242 -1.045 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -6.471 11.946 0.303 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -1.630 11.525 1.245 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -5.648 11.230 2.588 1.00 0.00 H new ATOM 0 HH TYR A 46 -3.937 10.811 3.821 1.00 0.00 H new ATOM 760 N SER A 47 -2.916 15.189 -1.139 1.00 0.00 N ATOM 761 CA SER A 47 -1.528 15.558 -0.921 1.00 0.00 C ATOM 762 C SER A 47 -0.676 14.300 -0.735 1.00 0.00 C ATOM 763 O SER A 47 -0.997 13.446 0.089 1.00 0.00 O ATOM 764 CB SER A 47 -1.387 16.479 0.292 1.00 0.00 C ATOM 765 OG SER A 47 -1.991 15.925 1.457 1.00 0.00 O ATOM 0 H SER A 47 -3.580 15.636 -0.507 1.00 0.00 H new ATOM 0 HA SER A 47 -1.176 16.101 -1.798 1.00 0.00 H new ATOM 0 HB2 SER A 47 -0.330 16.665 0.485 1.00 0.00 H new ATOM 0 HB3 SER A 47 -1.845 17.443 0.070 1.00 0.00 H new ATOM 0 HG SER A 47 -1.910 14.949 1.435 1.00 0.00 H new ATOM 771 N TYR A 48 0.393 14.228 -1.514 1.00 0.00 N ATOM 772 CA TYR A 48 1.294 13.090 -1.445 1.00 0.00 C ATOM 773 C TYR A 48 2.693 13.523 -1.004 1.00 0.00 C ATOM 774 O TYR A 48 2.912 14.690 -0.679 1.00 0.00 O ATOM 775 CB TYR A 48 1.371 12.527 -2.865 1.00 0.00 C ATOM 776 CG TYR A 48 0.785 11.121 -3.010 1.00 0.00 C ATOM 777 CD1 TYR A 48 -0.582 10.937 -2.981 1.00 0.00 C ATOM 778 CD2 TYR A 48 1.624 10.036 -3.170 1.00 0.00 C ATOM 779 CE1 TYR A 48 -1.133 9.613 -3.117 1.00 0.00 C ATOM 780 CE2 TYR A 48 1.073 8.713 -3.306 1.00 0.00 C ATOM 781 CZ TYR A 48 -0.279 8.567 -3.273 1.00 0.00 C ATOM 782 OH TYR A 48 -0.800 7.317 -3.402 1.00 0.00 O ATOM 0 H TYR A 48 0.656 14.939 -2.196 1.00 0.00 H new ATOM 0 HA TYR A 48 0.932 12.357 -0.724 1.00 0.00 H new ATOM 0 HB2 TYR A 48 0.844 13.201 -3.541 1.00 0.00 H new ATOM 0 HB3 TYR A 48 2.414 12.509 -3.182 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -1.239 11.785 -2.856 1.00 0.00 H new ATOM 0 HD2 TYR A 48 2.694 10.180 -3.193 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -2.201 9.455 -3.095 1.00 0.00 H new ATOM 0 HE2 TYR A 48 1.718 7.856 -3.431 1.00 0.00 H new ATOM 0 HH TYR A 48 -1.249 7.238 -4.269 1.00 0.00 H new ATOM 792 N THR A 49 3.604 12.561 -1.006 1.00 0.00 N ATOM 793 CA THR A 49 4.976 12.829 -0.610 1.00 0.00 C ATOM 794 C THR A 49 5.901 12.785 -1.828 1.00 0.00 C ATOM 795 O THR A 49 5.536 12.242 -2.870 1.00 0.00 O ATOM 796 CB THR A 49 5.359 11.826 0.480 1.00 0.00 C ATOM 797 OG1 THR A 49 5.169 10.555 -0.137 1.00 0.00 O ATOM 798 CG2 THR A 49 4.370 11.825 1.648 1.00 0.00 C ATOM 0 H THR A 49 3.419 11.595 -1.276 1.00 0.00 H new ATOM 0 HA THR A 49 5.079 13.833 -0.198 1.00 0.00 H new ATOM 0 HB THR A 49 6.358 12.056 0.851 1.00 0.00 H new ATOM 0 HG1 THR A 49 5.396 9.845 0.499 1.00 0.00 H new ATOM 0 HG21 THR A 49 4.688 11.096 2.393 1.00 0.00 H new ATOM 0 HG22 THR A 49 4.340 12.816 2.100 1.00 0.00 H new ATOM 0 HG23 THR A 49 3.377 11.562 1.284 1.00 0.00 H new ATOM 806 N ASP A 50 7.081 13.364 -1.657 1.00 0.00 N ATOM 807 CA ASP A 50 8.060 13.397 -2.729 1.00 0.00 C ATOM 808 C ASP A 50 8.997 12.195 -2.596 1.00 0.00 C ATOM 809 O ASP A 50 10.114 12.213 -3.112 1.00 0.00 O ATOM 810 CB ASP A 50 8.910 14.668 -2.660 1.00 0.00 C ATOM 811 CG ASP A 50 8.734 15.628 -3.838 1.00 0.00 C ATOM 812 OD1 ASP A 50 7.563 15.868 -4.205 1.00 0.00 O ATOM 813 OD2 ASP A 50 9.774 16.100 -4.346 1.00 0.00 O ATOM 0 H ASP A 50 7.380 13.814 -0.792 1.00 0.00 H new ATOM 0 HA ASP A 50 7.522 13.373 -3.677 1.00 0.00 H new ATOM 0 HB2 ASP A 50 8.669 15.199 -1.739 1.00 0.00 H new ATOM 0 HB3 ASP A 50 9.960 14.382 -2.598 1.00 0.00 H new ATOM 818 N ALA A 51 8.508 11.178 -1.901 1.00 0.00 N ATOM 819 CA ALA A 51 9.288 9.970 -1.694 1.00 0.00 C ATOM 820 C ALA A 51 8.641 8.813 -2.460 1.00 0.00 C ATOM 821 O ALA A 51 9.298 8.151 -3.262 1.00 0.00 O ATOM 822 CB ALA A 51 9.400 9.686 -0.195 1.00 0.00 C ATOM 0 H ALA A 51 7.582 11.166 -1.474 1.00 0.00 H new ATOM 0 HA ALA A 51 10.300 10.095 -2.079 1.00 0.00 H new ATOM 0 HB1 ALA A 51 9.985 8.780 -0.039 1.00 0.00 H new ATOM 0 HB2 ALA A 51 9.891 10.525 0.298 1.00 0.00 H new ATOM 0 HB3 ALA A 51 8.403 9.551 0.225 1.00 0.00 H new ATOM 828 N ASN A 52 7.362 8.606 -2.185 1.00 0.00 N ATOM 829 CA ASN A 52 6.620 7.541 -2.838 1.00 0.00 C ATOM 830 C ASN A 52 6.513 7.842 -4.334 1.00 0.00 C ATOM 831 O ASN A 52 7.267 7.293 -5.136 1.00 0.00 O ATOM 832 CB ASN A 52 5.201 7.433 -2.275 1.00 0.00 C ATOM 833 CG ASN A 52 5.031 6.151 -1.457 1.00 0.00 C ATOM 834 OD1 ASN A 52 5.237 5.048 -1.935 1.00 0.00 O ATOM 835 ND2 ASN A 52 4.645 6.358 -0.201 1.00 0.00 N ATOM 0 H ASN A 52 6.821 9.157 -1.519 1.00 0.00 H new ATOM 0 HA ASN A 52 7.150 6.605 -2.663 1.00 0.00 H new ATOM 0 HB2 ASN A 52 4.988 8.299 -1.649 1.00 0.00 H new ATOM 0 HB3 ASN A 52 4.480 7.445 -3.092 1.00 0.00 H new ATOM 0 HD21 ASN A 52 4.504 5.566 0.426 1.00 0.00 H new ATOM 0 HD22 ASN A 52 4.490 7.309 0.135 1.00 0.00 H new ATOM 842 N ILE A 53 5.571 8.714 -4.664 1.00 0.00 N ATOM 843 CA ILE A 53 5.357 9.095 -6.049 1.00 0.00 C ATOM 844 C ILE A 53 6.710 9.237 -6.750 1.00 0.00 C ATOM 845 O ILE A 53 6.827 8.959 -7.942 1.00 0.00 O ATOM 846 CB ILE A 53 4.486 10.350 -6.131 1.00 0.00 C ATOM 847 CG1 ILE A 53 3.010 10.009 -5.919 1.00 0.00 C ATOM 848 CG2 ILE A 53 4.719 11.094 -7.448 1.00 0.00 C ATOM 849 CD1 ILE A 53 2.170 11.279 -5.768 1.00 0.00 C ATOM 0 H ILE A 53 4.948 9.167 -3.996 1.00 0.00 H new ATOM 0 HA ILE A 53 4.805 8.318 -6.577 1.00 0.00 H new ATOM 0 HB ILE A 53 4.780 11.022 -5.325 1.00 0.00 H new ATOM 0 HG12 ILE A 53 2.643 9.424 -6.763 1.00 0.00 H new ATOM 0 HG13 ILE A 53 2.901 9.388 -5.030 1.00 0.00 H new ATOM 0 HG21 ILE A 53 4.088 11.982 -7.481 1.00 0.00 H new ATOM 0 HG22 ILE A 53 5.766 11.390 -7.518 1.00 0.00 H new ATOM 0 HG23 ILE A 53 4.470 10.441 -8.284 1.00 0.00 H new ATOM 0 HD11 ILE A 53 1.125 11.008 -5.619 1.00 0.00 H new ATOM 0 HD12 ILE A 53 2.524 11.849 -4.909 1.00 0.00 H new ATOM 0 HD13 ILE A 53 2.262 11.886 -6.669 1.00 0.00 H new ATOM 861 N LYS A 54 7.696 9.670 -5.979 1.00 0.00 N ATOM 862 CA LYS A 54 9.036 9.853 -6.511 1.00 0.00 C ATOM 863 C LYS A 54 9.787 8.522 -6.458 1.00 0.00 C ATOM 864 O LYS A 54 10.935 8.469 -6.018 1.00 0.00 O ATOM 865 CB LYS A 54 9.751 10.992 -5.782 1.00 0.00 C ATOM 866 CG LYS A 54 8.957 12.296 -5.888 1.00 0.00 C ATOM 867 CD LYS A 54 9.309 13.050 -7.172 1.00 0.00 C ATOM 868 CE LYS A 54 8.703 14.454 -7.166 1.00 0.00 C ATOM 869 NZ LYS A 54 9.767 15.477 -7.058 1.00 0.00 N ATOM 0 H LYS A 54 7.594 9.899 -4.990 1.00 0.00 H new ATOM 0 HA LYS A 54 8.992 10.153 -7.558 1.00 0.00 H new ATOM 0 HB2 LYS A 54 9.886 10.729 -4.733 1.00 0.00 H new ATOM 0 HB3 LYS A 54 10.745 11.132 -6.206 1.00 0.00 H new ATOM 0 HG2 LYS A 54 7.889 12.078 -5.871 1.00 0.00 H new ATOM 0 HG3 LYS A 54 9.167 12.925 -5.023 1.00 0.00 H new ATOM 0 HD2 LYS A 54 10.392 13.118 -7.273 1.00 0.00 H new ATOM 0 HD3 LYS A 54 8.943 12.495 -8.036 1.00 0.00 H new ATOM 0 HE2 LYS A 54 8.129 14.613 -8.079 1.00 0.00 H new ATOM 0 HE3 LYS A 54 8.009 14.553 -6.332 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 9.430 16.372 -7.466 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 10.009 15.622 -6.057 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 10.611 15.156 -7.575 1.00 0.00 H new ATOM 883 N LYS A 55 9.110 7.478 -6.913 1.00 0.00 N ATOM 884 CA LYS A 55 9.699 6.150 -6.923 1.00 0.00 C ATOM 885 C LYS A 55 9.319 5.437 -8.222 1.00 0.00 C ATOM 886 O LYS A 55 10.172 4.849 -8.884 1.00 0.00 O ATOM 887 CB LYS A 55 9.305 5.379 -5.661 1.00 0.00 C ATOM 888 CG LYS A 55 10.243 4.193 -5.427 1.00 0.00 C ATOM 889 CD LYS A 55 11.634 4.669 -5.006 1.00 0.00 C ATOM 890 CE LYS A 55 12.643 4.485 -6.142 1.00 0.00 C ATOM 891 NZ LYS A 55 13.517 5.674 -6.256 1.00 0.00 N ATOM 0 H LYS A 55 8.159 7.525 -7.278 1.00 0.00 H new ATOM 0 HA LYS A 55 10.787 6.217 -6.902 1.00 0.00 H new ATOM 0 HB2 LYS A 55 9.334 6.046 -4.799 1.00 0.00 H new ATOM 0 HB3 LYS A 55 8.279 5.023 -5.754 1.00 0.00 H new ATOM 0 HG2 LYS A 55 9.828 3.543 -4.656 1.00 0.00 H new ATOM 0 HG3 LYS A 55 10.318 3.599 -6.338 1.00 0.00 H new ATOM 0 HD2 LYS A 55 11.591 5.720 -4.719 1.00 0.00 H new ATOM 0 HD3 LYS A 55 11.963 4.112 -4.129 1.00 0.00 H new ATOM 0 HE2 LYS A 55 13.248 3.597 -5.958 1.00 0.00 H new ATOM 0 HE3 LYS A 55 12.116 4.322 -7.082 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 14.196 5.533 -7.031 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 12.936 6.514 -6.453 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 14.034 5.812 -5.364 1.00 0.00 H new ATOM 905 N ASN A 56 8.037 5.514 -8.548 1.00 0.00 N ATOM 906 CA ASN A 56 7.533 4.884 -9.757 1.00 0.00 C ATOM 907 C ASN A 56 7.581 3.364 -9.592 1.00 0.00 C ATOM 908 O ASN A 56 7.873 2.642 -10.544 1.00 0.00 O ATOM 909 CB ASN A 56 8.388 5.256 -10.969 1.00 0.00 C ATOM 910 CG ASN A 56 7.517 5.766 -12.119 1.00 0.00 C ATOM 911 OD1 ASN A 56 7.571 5.279 -13.236 1.00 0.00 O ATOM 912 ND2 ASN A 56 6.714 6.772 -11.784 1.00 0.00 N ATOM 0 H ASN A 56 7.332 6.003 -7.996 1.00 0.00 H new ATOM 0 HA ASN A 56 6.512 5.229 -9.917 1.00 0.00 H new ATOM 0 HB2 ASN A 56 9.110 6.022 -10.688 1.00 0.00 H new ATOM 0 HB3 ASN A 56 8.958 4.387 -11.297 1.00 0.00 H new ATOM 0 HD21 ASN A 56 6.093 7.183 -12.481 1.00 0.00 H new ATOM 0 HD22 ASN A 56 6.719 7.132 -10.830 1.00 0.00 H new ATOM 919 N VAL A 57 7.291 2.922 -8.377 1.00 0.00 N ATOM 920 CA VAL A 57 7.298 1.501 -8.075 1.00 0.00 C ATOM 921 C VAL A 57 6.054 0.849 -8.683 1.00 0.00 C ATOM 922 O VAL A 57 5.009 0.778 -8.038 1.00 0.00 O ATOM 923 CB VAL A 57 7.408 1.287 -6.564 1.00 0.00 C ATOM 924 CG1 VAL A 57 6.383 2.141 -5.814 1.00 0.00 C ATOM 925 CG2 VAL A 57 7.255 -0.193 -6.208 1.00 0.00 C ATOM 0 H VAL A 57 7.049 3.524 -7.590 1.00 0.00 H new ATOM 0 HA VAL A 57 8.168 1.020 -8.521 1.00 0.00 H new ATOM 0 HB VAL A 57 8.402 1.605 -6.251 1.00 0.00 H new ATOM 0 HG11 VAL A 57 6.482 1.970 -4.742 1.00 0.00 H new ATOM 0 HG12 VAL A 57 6.558 3.195 -6.032 1.00 0.00 H new ATOM 0 HG13 VAL A 57 5.378 1.867 -6.134 1.00 0.00 H new ATOM 0 HG21 VAL A 57 7.337 -0.318 -5.128 1.00 0.00 H new ATOM 0 HG22 VAL A 57 6.280 -0.548 -6.541 1.00 0.00 H new ATOM 0 HG23 VAL A 57 8.039 -0.769 -6.700 1.00 0.00 H new ATOM 935 N LEU A 58 6.208 0.390 -9.916 1.00 0.00 N ATOM 936 CA LEU A 58 5.110 -0.254 -10.617 1.00 0.00 C ATOM 937 C LEU A 58 4.519 -1.352 -9.731 1.00 0.00 C ATOM 938 O LEU A 58 5.196 -2.327 -9.410 1.00 0.00 O ATOM 939 CB LEU A 58 5.569 -0.751 -11.989 1.00 0.00 C ATOM 940 CG LEU A 58 4.497 -0.798 -13.079 1.00 0.00 C ATOM 941 CD1 LEU A 58 4.072 0.613 -13.491 1.00 0.00 C ATOM 942 CD2 LEU A 58 4.967 -1.628 -14.275 1.00 0.00 C ATOM 0 H LEU A 58 7.076 0.451 -10.448 1.00 0.00 H new ATOM 0 HA LEU A 58 4.311 0.461 -10.814 1.00 0.00 H new ATOM 0 HB2 LEU A 58 6.380 -0.110 -12.333 1.00 0.00 H new ATOM 0 HB3 LEU A 58 5.983 -1.752 -11.871 1.00 0.00 H new ATOM 0 HG LEU A 58 3.616 -1.293 -12.671 1.00 0.00 H new ATOM 0 HD11 LEU A 58 3.309 0.551 -14.267 1.00 0.00 H new ATOM 0 HD12 LEU A 58 3.668 1.138 -12.626 1.00 0.00 H new ATOM 0 HD13 LEU A 58 4.936 1.156 -13.874 1.00 0.00 H new ATOM 0 HD21 LEU A 58 4.186 -1.645 -15.035 1.00 0.00 H new ATOM 0 HD22 LEU A 58 5.871 -1.185 -14.693 1.00 0.00 H new ATOM 0 HD23 LEU A 58 5.179 -2.647 -13.950 1.00 0.00 H new ATOM 954 N TRP A 59 3.261 -1.156 -9.362 1.00 0.00 N ATOM 955 CA TRP A 59 2.571 -2.118 -8.519 1.00 0.00 C ATOM 956 C TRP A 59 2.082 -3.262 -9.410 1.00 0.00 C ATOM 957 O TRP A 59 1.632 -3.031 -10.531 1.00 0.00 O ATOM 958 CB TRP A 59 1.442 -1.448 -7.734 1.00 0.00 C ATOM 959 CG TRP A 59 1.884 -0.222 -6.932 1.00 0.00 C ATOM 960 CD1 TRP A 59 1.453 1.042 -7.052 1.00 0.00 C ATOM 961 CD2 TRP A 59 2.867 -0.194 -5.876 1.00 0.00 C ATOM 962 NE1 TRP A 59 2.084 1.878 -6.154 1.00 0.00 N ATOM 963 CE2 TRP A 59 2.971 1.103 -5.416 1.00 0.00 C ATOM 964 CE3 TRP A 59 3.643 -1.230 -5.328 1.00 0.00 C ATOM 965 CZ2 TRP A 59 3.840 1.485 -4.387 1.00 0.00 C ATOM 966 CZ3 TRP A 59 4.506 -0.832 -4.300 1.00 0.00 C ATOM 967 CH2 TRP A 59 4.623 0.469 -3.825 1.00 0.00 C ATOM 0 H TRP A 59 2.702 -0.346 -9.631 1.00 0.00 H new ATOM 0 HA TRP A 59 3.246 -2.526 -7.767 1.00 0.00 H new ATOM 0 HB2 TRP A 59 0.657 -1.151 -8.429 1.00 0.00 H new ATOM 0 HB3 TRP A 59 1.005 -2.177 -7.052 1.00 0.00 H new ATOM 0 HD1 TRP A 59 0.706 1.365 -7.762 1.00 0.00 H new ATOM 0 HE1 TRP A 59 1.928 2.881 -6.051 1.00 0.00 H new ATOM 0 HE3 TRP A 59 3.579 -2.252 -5.673 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 3.903 2.508 -4.045 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 5.125 -1.590 -3.843 1.00 0.00 H new ATOM 0 HH2 TRP A 59 5.314 0.695 -3.027 1.00 0.00 H new ATOM 978 N ASP A 60 2.187 -4.470 -8.877 1.00 0.00 N ATOM 979 CA ASP A 60 1.761 -5.651 -9.610 1.00 0.00 C ATOM 980 C ASP A 60 1.372 -6.749 -8.618 1.00 0.00 C ATOM 981 O ASP A 60 0.196 -7.087 -8.490 1.00 0.00 O ATOM 982 CB ASP A 60 2.890 -6.189 -10.492 1.00 0.00 C ATOM 983 CG ASP A 60 2.538 -7.438 -11.302 1.00 0.00 C ATOM 984 OD1 ASP A 60 1.634 -7.323 -12.158 1.00 0.00 O ATOM 985 OD2 ASP A 60 3.181 -8.479 -11.048 1.00 0.00 O ATOM 0 H ASP A 60 2.561 -4.657 -7.947 1.00 0.00 H new ATOM 0 HA ASP A 60 0.915 -5.371 -10.238 1.00 0.00 H new ATOM 0 HB2 ASP A 60 3.199 -5.403 -11.181 1.00 0.00 H new ATOM 0 HB3 ASP A 60 3.749 -6.414 -9.860 1.00 0.00 H new ATOM 990 N GLU A 61 2.381 -7.275 -7.941 1.00 0.00 N ATOM 991 CA GLU A 61 2.160 -8.328 -6.964 1.00 0.00 C ATOM 992 C GLU A 61 3.417 -8.541 -6.118 1.00 0.00 C ATOM 993 O GLU A 61 3.505 -8.046 -4.996 1.00 0.00 O ATOM 994 CB GLU A 61 1.732 -9.628 -7.648 1.00 0.00 C ATOM 995 CG GLU A 61 1.503 -10.738 -6.620 1.00 0.00 C ATOM 996 CD GLU A 61 0.122 -11.373 -6.797 1.00 0.00 C ATOM 997 OE1 GLU A 61 -0.391 -11.307 -7.934 1.00 0.00 O ATOM 998 OE2 GLU A 61 -0.389 -11.910 -5.790 1.00 0.00 O ATOM 0 H GLU A 61 3.355 -6.992 -8.049 1.00 0.00 H new ATOM 0 HA GLU A 61 1.350 -8.019 -6.303 1.00 0.00 H new ATOM 0 HB2 GLU A 61 0.818 -9.460 -8.217 1.00 0.00 H new ATOM 0 HB3 GLU A 61 2.498 -9.938 -8.359 1.00 0.00 H new ATOM 0 HG2 GLU A 61 2.274 -11.501 -6.725 1.00 0.00 H new ATOM 0 HG3 GLU A 61 1.593 -10.330 -5.613 1.00 0.00 H new ATOM 1005 N ASN A 62 4.358 -9.278 -6.690 1.00 0.00 N ATOM 1006 CA ASN A 62 5.606 -9.562 -6.002 1.00 0.00 C ATOM 1007 C ASN A 62 6.246 -8.247 -5.551 1.00 0.00 C ATOM 1008 O ASN A 62 6.634 -8.107 -4.392 1.00 0.00 O ATOM 1009 CB ASN A 62 6.594 -10.276 -6.927 1.00 0.00 C ATOM 1010 CG ASN A 62 6.322 -11.781 -6.963 1.00 0.00 C ATOM 1011 OD1 ASN A 62 5.038 -12.102 -6.836 1.00 0.00 O flip ATOM 1012 ND2 ASN A 62 7.219 -12.597 -7.097 1.00 0.00 N flip ATOM 0 H ASN A 62 4.281 -9.687 -7.621 1.00 0.00 H new ATOM 0 HA ASN A 62 5.383 -10.203 -5.149 1.00 0.00 H new ATOM 0 HB2 ASN A 62 6.517 -9.865 -7.934 1.00 0.00 H new ATOM 0 HB3 ASN A 62 7.613 -10.095 -6.585 1.00 0.00 H new ATOM 0 HD21 ASN A 62 8.185 -12.283 -7.189 1.00 0.00 H new ATOM 0 HD22 ASN A 62 7.003 -13.594 -7.117 1.00 0.00 H new ATOM 1019 N ASN A 63 6.335 -7.317 -6.490 1.00 0.00 N ATOM 1020 CA ASN A 63 6.921 -6.019 -6.204 1.00 0.00 C ATOM 1021 C ASN A 63 6.381 -5.503 -4.868 1.00 0.00 C ATOM 1022 O ASN A 63 7.136 -5.339 -3.911 1.00 0.00 O ATOM 1023 CB ASN A 63 6.558 -5.000 -7.286 1.00 0.00 C ATOM 1024 CG ASN A 63 6.768 -3.569 -6.785 1.00 0.00 C ATOM 1025 OD1 ASN A 63 7.881 -3.115 -6.576 1.00 0.00 O ATOM 1026 ND2 ASN A 63 5.640 -2.888 -6.604 1.00 0.00 N ATOM 0 H ASN A 63 6.011 -7.437 -7.450 1.00 0.00 H new ATOM 0 HA ASN A 63 8.004 -6.138 -6.170 1.00 0.00 H new ATOM 0 HB2 ASN A 63 7.169 -5.172 -8.172 1.00 0.00 H new ATOM 0 HB3 ASN A 63 5.518 -5.136 -7.584 1.00 0.00 H new ATOM 0 HD21 ASN A 63 5.674 -1.925 -6.271 1.00 0.00 H new ATOM 0 HD22 ASN A 63 4.741 -3.329 -6.798 1.00 0.00 H new ATOM 1033 N MET A 64 5.078 -5.262 -4.847 1.00 0.00 N ATOM 1034 CA MET A 64 4.428 -4.769 -3.645 1.00 0.00 C ATOM 1035 C MET A 64 4.926 -5.516 -2.406 1.00 0.00 C ATOM 1036 O MET A 64 5.216 -4.902 -1.380 1.00 0.00 O ATOM 1037 CB MET A 64 2.914 -4.947 -3.773 1.00 0.00 C ATOM 1038 CG MET A 64 2.214 -4.666 -2.442 1.00 0.00 C ATOM 1039 SD MET A 64 0.445 -4.637 -2.677 1.00 0.00 S ATOM 1040 CE MET A 64 0.202 -2.897 -2.988 1.00 0.00 C ATOM 0 H MET A 64 4.455 -5.399 -5.643 1.00 0.00 H new ATOM 0 HA MET A 64 4.671 -3.712 -3.532 1.00 0.00 H new ATOM 0 HB2 MET A 64 2.529 -4.275 -4.540 1.00 0.00 H new ATOM 0 HB3 MET A 64 2.690 -5.963 -4.098 1.00 0.00 H new ATOM 0 HG2 MET A 64 2.480 -5.432 -1.713 1.00 0.00 H new ATOM 0 HG3 MET A 64 2.551 -3.711 -2.039 1.00 0.00 H new ATOM 0 HE1 MET A 64 -0.480 -2.486 -2.243 1.00 0.00 H new ATOM 0 HE2 MET A 64 1.159 -2.380 -2.928 1.00 0.00 H new ATOM 0 HE3 MET A 64 -0.222 -2.761 -3.983 1.00 0.00 H new ATOM 1050 N SER A 65 5.012 -6.832 -2.542 1.00 0.00 N ATOM 1051 CA SER A 65 5.470 -7.669 -1.447 1.00 0.00 C ATOM 1052 C SER A 65 6.760 -7.097 -0.855 1.00 0.00 C ATOM 1053 O SER A 65 6.970 -7.154 0.356 1.00 0.00 O ATOM 1054 CB SER A 65 5.692 -9.110 -1.911 1.00 0.00 C ATOM 1055 OG SER A 65 7.069 -9.386 -2.154 1.00 0.00 O ATOM 0 H SER A 65 4.772 -7.338 -3.394 1.00 0.00 H new ATOM 0 HA SER A 65 4.698 -7.679 -0.678 1.00 0.00 H new ATOM 0 HB2 SER A 65 5.312 -9.797 -1.155 1.00 0.00 H new ATOM 0 HB3 SER A 65 5.120 -9.290 -2.821 1.00 0.00 H new ATOM 0 HG SER A 65 7.328 -9.015 -3.023 1.00 0.00 H new ATOM 1061 N GLU A 66 7.590 -6.559 -1.736 1.00 0.00 N ATOM 1062 CA GLU A 66 8.853 -5.977 -1.316 1.00 0.00 C ATOM 1063 C GLU A 66 8.618 -4.615 -0.659 1.00 0.00 C ATOM 1064 O GLU A 66 9.198 -4.316 0.383 1.00 0.00 O ATOM 1065 CB GLU A 66 9.821 -5.858 -2.494 1.00 0.00 C ATOM 1066 CG GLU A 66 11.273 -5.951 -2.023 1.00 0.00 C ATOM 1067 CD GLU A 66 12.231 -6.041 -3.213 1.00 0.00 C ATOM 1068 OE1 GLU A 66 11.836 -6.678 -4.213 1.00 0.00 O ATOM 1069 OE2 GLU A 66 13.337 -5.471 -3.095 1.00 0.00 O ATOM 0 H GLU A 66 7.412 -6.514 -2.739 1.00 0.00 H new ATOM 0 HA GLU A 66 9.309 -6.639 -0.580 1.00 0.00 H new ATOM 0 HB2 GLU A 66 9.618 -6.648 -3.217 1.00 0.00 H new ATOM 0 HB3 GLU A 66 9.661 -4.909 -3.006 1.00 0.00 H new ATOM 0 HG2 GLU A 66 11.520 -5.078 -1.418 1.00 0.00 H new ATOM 0 HG3 GLU A 66 11.397 -6.826 -1.385 1.00 0.00 H new ATOM 1076 N TYR A 67 7.766 -3.826 -1.297 1.00 0.00 N ATOM 1077 CA TYR A 67 7.446 -2.503 -0.788 1.00 0.00 C ATOM 1078 C TYR A 67 6.974 -2.574 0.666 1.00 0.00 C ATOM 1079 O TYR A 67 7.372 -1.755 1.492 1.00 0.00 O ATOM 1080 CB TYR A 67 6.302 -1.981 -1.659 1.00 0.00 C ATOM 1081 CG TYR A 67 5.506 -0.840 -1.022 1.00 0.00 C ATOM 1082 CD1 TYR A 67 6.099 0.391 -0.828 1.00 0.00 C ATOM 1083 CD2 TYR A 67 4.195 -1.042 -0.641 1.00 0.00 C ATOM 1084 CE1 TYR A 67 5.349 1.465 -0.228 1.00 0.00 C ATOM 1085 CE2 TYR A 67 3.445 0.031 -0.042 1.00 0.00 C ATOM 1086 CZ TYR A 67 4.060 1.232 0.135 1.00 0.00 C ATOM 1087 OH TYR A 67 3.352 2.246 0.701 1.00 0.00 O ATOM 0 H TYR A 67 7.287 -4.077 -2.162 1.00 0.00 H new ATOM 0 HA TYR A 67 8.323 -1.857 -0.820 1.00 0.00 H new ATOM 0 HB2 TYR A 67 6.710 -1.639 -2.610 1.00 0.00 H new ATOM 0 HB3 TYR A 67 5.623 -2.804 -1.881 1.00 0.00 H new ATOM 0 HD1 TYR A 67 7.125 0.549 -1.126 1.00 0.00 H new ATOM 0 HD2 TYR A 67 3.731 -2.006 -0.792 1.00 0.00 H new ATOM 0 HE1 TYR A 67 5.801 2.433 -0.070 1.00 0.00 H new ATOM 0 HE2 TYR A 67 2.418 -0.114 0.260 1.00 0.00 H new ATOM 0 HH TYR A 67 3.560 2.296 1.657 1.00 0.00 H new ATOM 1097 N LEU A 68 6.131 -3.561 0.933 1.00 0.00 N ATOM 1098 CA LEU A 68 5.600 -3.750 2.272 1.00 0.00 C ATOM 1099 C LEU A 68 6.689 -4.341 3.169 1.00 0.00 C ATOM 1100 O LEU A 68 7.826 -4.521 2.736 1.00 0.00 O ATOM 1101 CB LEU A 68 4.319 -4.585 2.228 1.00 0.00 C ATOM 1102 CG LEU A 68 3.251 -4.122 1.234 1.00 0.00 C ATOM 1103 CD1 LEU A 68 2.174 -5.193 1.049 1.00 0.00 C ATOM 1104 CD2 LEU A 68 2.656 -2.777 1.655 1.00 0.00 C ATOM 0 H LEU A 68 5.803 -4.238 0.245 1.00 0.00 H new ATOM 0 HA LEU A 68 5.313 -2.792 2.707 1.00 0.00 H new ATOM 0 HB2 LEU A 68 4.588 -5.614 1.989 1.00 0.00 H new ATOM 0 HB3 LEU A 68 3.880 -4.593 3.226 1.00 0.00 H new ATOM 0 HG LEU A 68 3.727 -3.973 0.265 1.00 0.00 H new ATOM 0 HD11 LEU A 68 1.427 -4.839 0.338 1.00 0.00 H new ATOM 0 HD12 LEU A 68 2.631 -6.107 0.670 1.00 0.00 H new ATOM 0 HD13 LEU A 68 1.695 -5.397 2.007 1.00 0.00 H new ATOM 0 HD21 LEU A 68 1.900 -2.471 0.932 1.00 0.00 H new ATOM 0 HD22 LEU A 68 2.198 -2.874 2.639 1.00 0.00 H new ATOM 0 HD23 LEU A 68 3.445 -2.026 1.694 1.00 0.00 H new ATOM 1116 N THR A 69 6.302 -4.628 4.404 1.00 0.00 N ATOM 1117 CA THR A 69 7.231 -5.196 5.366 1.00 0.00 C ATOM 1118 C THR A 69 8.231 -4.136 5.832 1.00 0.00 C ATOM 1119 O THR A 69 8.365 -3.888 7.029 1.00 0.00 O ATOM 1120 CB THR A 69 7.895 -6.414 4.720 1.00 0.00 C ATOM 1121 OG1 THR A 69 7.458 -7.511 5.517 1.00 0.00 O ATOM 1122 CG2 THR A 69 9.416 -6.412 4.891 1.00 0.00 C ATOM 0 H THR A 69 5.358 -4.478 4.760 1.00 0.00 H new ATOM 0 HA THR A 69 6.714 -5.528 6.266 1.00 0.00 H new ATOM 0 HB THR A 69 7.649 -6.440 3.658 1.00 0.00 H new ATOM 0 HG1 THR A 69 6.502 -7.665 5.365 1.00 0.00 H new ATOM 0 HG21 THR A 69 9.837 -7.297 4.415 1.00 0.00 H new ATOM 0 HG22 THR A 69 9.833 -5.518 4.428 1.00 0.00 H new ATOM 0 HG23 THR A 69 9.663 -6.419 5.953 1.00 0.00 H new ATOM 1130 N ASN A 70 8.907 -3.538 4.862 1.00 0.00 N ATOM 1131 CA ASN A 70 9.890 -2.510 5.158 1.00 0.00 C ATOM 1132 C ASN A 70 9.690 -1.330 4.205 1.00 0.00 C ATOM 1133 O ASN A 70 10.543 -1.058 3.361 1.00 0.00 O ATOM 1134 CB ASN A 70 11.313 -3.037 4.966 1.00 0.00 C ATOM 1135 CG ASN A 70 11.897 -3.534 6.290 1.00 0.00 C ATOM 1136 OD1 ASN A 70 12.056 -2.791 7.245 1.00 0.00 O ATOM 1137 ND2 ASN A 70 12.207 -4.827 6.294 1.00 0.00 N ATOM 0 H ASN A 70 8.793 -3.746 3.870 1.00 0.00 H new ATOM 0 HA ASN A 70 9.756 -2.204 6.196 1.00 0.00 H new ATOM 0 HB2 ASN A 70 11.309 -3.849 4.239 1.00 0.00 H new ATOM 0 HB3 ASN A 70 11.945 -2.248 4.559 1.00 0.00 H new ATOM 0 HD21 ASN A 70 12.604 -5.254 7.131 1.00 0.00 H new ATOM 0 HD22 ASN A 70 12.048 -5.392 5.460 1.00 0.00 H new ATOM 1144 N PRO A 71 8.529 -0.644 4.375 1.00 0.00 N ATOM 1145 CA PRO A 71 8.206 0.501 3.540 1.00 0.00 C ATOM 1146 C PRO A 71 9.029 1.725 3.946 1.00 0.00 C ATOM 1147 O PRO A 71 9.294 2.535 3.075 1.00 0.00 O ATOM 1148 CB PRO A 71 6.710 0.707 3.715 1.00 0.00 C ATOM 1149 CG PRO A 71 6.335 -0.030 4.991 1.00 0.00 C ATOM 1150 CD PRO A 71 7.495 -0.938 5.364 1.00 0.00 C ATOM 0 HA PRO A 71 8.452 0.339 2.491 1.00 0.00 H new ATOM 0 HB2 PRO A 71 6.468 1.767 3.791 1.00 0.00 H new ATOM 0 HB3 PRO A 71 6.159 0.314 2.861 1.00 0.00 H new ATOM 0 HG2 PRO A 71 6.131 0.678 5.794 1.00 0.00 H new ATOM 0 HG3 PRO A 71 5.426 -0.613 4.842 1.00 0.00 H new ATOM 0 HD2 PRO A 71 7.846 -0.736 6.376 1.00 0.00 H new ATOM 0 HD3 PRO A 71 7.203 -1.988 5.331 1.00 0.00 H new HETATM 1158 N M3L A 72 9.371 1.771 5.224 1.00 0.00 N HETATM 1159 CA M3L A 72 10.131 2.904 5.792 1.00 0.00 C HETATM 1160 CB M3L A 72 10.081 2.811 7.330 1.00 0.00 C HETATM 1161 CG M3L A 72 9.788 4.246 7.771 1.00 0.00 C HETATM 1162 CD M3L A 72 10.246 4.519 9.216 1.00 0.00 C HETATM 1163 CE M3L A 72 9.325 5.635 9.748 1.00 0.00 C HETATM 1164 NZ M3L A 72 8.209 5.100 10.543 1.00 0.00 N HETATM 1165 C M3L A 72 11.580 3.010 5.395 1.00 0.00 C HETATM 1166 O M3L A 72 12.179 4.084 5.446 1.00 0.00 O HETATM 1167 CM1 M3L A 72 7.376 6.309 10.748 1.00 0.00 C HETATM 1168 CM2 M3L A 72 7.500 4.076 9.746 1.00 0.00 C HETATM 1169 CM3 M3L A 72 8.678 4.527 11.815 1.00 0.00 C HETATM 0 HM33 M3L A 72 9.377 3.715 11.613 1.00 0.00 H new HETATM 0 HM32 M3L A 72 9.178 5.299 12.399 1.00 0.00 H new HETATM 0 HM31 M3L A 72 7.827 4.141 12.376 1.00 0.00 H new HETATM 0 HM23 M3L A 72 7.117 4.528 8.831 1.00 0.00 H new HETATM 0 HM22 M3L A 72 8.190 3.271 9.492 1.00 0.00 H new HETATM 0 HM21 M3L A 72 6.670 3.673 10.327 1.00 0.00 H new HETATM 0 HM13 M3L A 72 7.956 7.065 11.278 1.00 0.00 H new HETATM 0 HM12 M3L A 72 7.063 6.703 9.781 1.00 0.00 H new HETATM 0 HM11 M3L A 72 6.496 6.049 11.336 1.00 0.00 H new HETATM 0 HG3 M3L A 72 10.289 4.940 7.096 1.00 0.00 H new HETATM 0 HG2 M3L A 72 8.718 4.438 7.689 1.00 0.00 H new HETATM 0 HE3 M3L A 72 9.907 6.324 10.360 1.00 0.00 H new HETATM 0 HE2 M3L A 72 8.930 6.209 8.910 1.00 0.00 H new HETATM 0 HD3 M3L A 72 10.164 3.621 9.828 1.00 0.00 H new HETATM 0 HD2 M3L A 72 11.291 4.829 9.243 1.00 0.00 H new HETATM 0 HB3 M3L A 72 9.305 2.123 7.664 1.00 0.00 H new HETATM 0 HB2 M3L A 72 11.024 2.451 7.740 1.00 0.00 H new HETATM 0 HA M3L A 72 9.645 3.790 5.383 1.00 0.00 H new HETATM 0 H M3L A 72 8.925 1.095 5.843 1.00 0.00 H new ATOM 1189 N LYS A 73 12.089 1.889 4.906 1.00 0.00 N ATOM 1190 CA LYS A 73 13.441 1.850 4.376 1.00 0.00 C ATOM 1191 C LYS A 73 13.388 1.918 2.849 1.00 0.00 C ATOM 1192 O LYS A 73 13.949 2.831 2.245 1.00 0.00 O ATOM 1193 CB LYS A 73 14.191 0.629 4.912 1.00 0.00 C ATOM 1194 CG LYS A 73 15.571 0.504 4.262 1.00 0.00 C ATOM 1195 CD LYS A 73 16.682 0.637 5.305 1.00 0.00 C ATOM 1196 CE LYS A 73 16.821 -0.647 6.125 1.00 0.00 C ATOM 1197 NZ LYS A 73 17.375 -1.738 5.292 1.00 0.00 N ATOM 0 H LYS A 73 11.589 1.001 4.866 1.00 0.00 H new ATOM 0 HA LYS A 73 14.008 2.717 4.714 1.00 0.00 H new ATOM 0 HB2 LYS A 73 14.301 0.711 5.993 1.00 0.00 H new ATOM 0 HB3 LYS A 73 13.611 -0.273 4.718 1.00 0.00 H new ATOM 0 HG2 LYS A 73 15.654 -0.459 3.758 1.00 0.00 H new ATOM 0 HG3 LYS A 73 15.689 1.274 3.500 1.00 0.00 H new ATOM 0 HD2 LYS A 73 17.627 0.860 4.809 1.00 0.00 H new ATOM 0 HD3 LYS A 73 16.465 1.474 5.968 1.00 0.00 H new ATOM 0 HE2 LYS A 73 17.471 -0.470 6.982 1.00 0.00 H new ATOM 0 HE3 LYS A 73 15.848 -0.941 6.519 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 17.791 -2.467 5.906 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 16.615 -2.159 4.721 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 18.109 -1.356 4.663 1.00 0.00 H new ATOM 1211 N TYR A 74 12.709 0.940 2.268 1.00 0.00 N ATOM 1212 CA TYR A 74 12.575 0.877 0.823 1.00 0.00 C ATOM 1213 C TYR A 74 12.363 2.271 0.231 1.00 0.00 C ATOM 1214 O TYR A 74 13.093 2.685 -0.669 1.00 0.00 O ATOM 1215 CB TYR A 74 11.333 0.026 0.551 1.00 0.00 C ATOM 1216 CG TYR A 74 11.030 -0.176 -0.935 1.00 0.00 C ATOM 1217 CD1 TYR A 74 11.890 -0.918 -1.720 1.00 0.00 C ATOM 1218 CD2 TYR A 74 9.897 0.383 -1.491 1.00 0.00 C ATOM 1219 CE1 TYR A 74 11.606 -1.108 -3.119 1.00 0.00 C ATOM 1220 CE2 TYR A 74 9.613 0.192 -2.890 1.00 0.00 C ATOM 1221 CZ TYR A 74 10.481 -0.544 -3.635 1.00 0.00 C ATOM 1222 OH TYR A 74 10.212 -0.723 -4.956 1.00 0.00 O ATOM 0 H TYR A 74 12.245 0.184 2.772 1.00 0.00 H new ATOM 0 HA TYR A 74 13.475 0.459 0.372 1.00 0.00 H new ATOM 0 HB2 TYR A 74 11.463 -0.949 1.020 1.00 0.00 H new ATOM 0 HB3 TYR A 74 10.472 0.496 1.026 1.00 0.00 H new ATOM 0 HD1 TYR A 74 12.776 -1.356 -1.285 1.00 0.00 H new ATOM 0 HD2 TYR A 74 9.224 0.963 -0.877 1.00 0.00 H new ATOM 0 HE1 TYR A 74 12.271 -1.685 -3.744 1.00 0.00 H new ATOM 0 HE2 TYR A 74 8.730 0.624 -3.338 1.00 0.00 H new ATOM 0 HH TYR A 74 10.577 -1.583 -5.251 1.00 0.00 H new ATOM 1232 N ILE A 75 11.361 2.958 0.760 1.00 0.00 N ATOM 1233 CA ILE A 75 11.044 4.298 0.295 1.00 0.00 C ATOM 1234 C ILE A 75 11.422 5.311 1.377 1.00 0.00 C ATOM 1235 O ILE A 75 10.740 5.421 2.395 1.00 0.00 O ATOM 1236 CB ILE A 75 9.580 4.381 -0.141 1.00 0.00 C ATOM 1237 CG1 ILE A 75 9.361 3.653 -1.469 1.00 0.00 C ATOM 1238 CG2 ILE A 75 9.107 5.835 -0.200 1.00 0.00 C ATOM 1239 CD1 ILE A 75 7.882 3.322 -1.676 1.00 0.00 C ATOM 0 H ILE A 75 10.758 2.612 1.506 1.00 0.00 H new ATOM 0 HA ILE A 75 11.631 4.543 -0.590 1.00 0.00 H new ATOM 0 HB ILE A 75 8.972 3.874 0.608 1.00 0.00 H new ATOM 0 HG12 ILE A 75 9.717 4.274 -2.291 1.00 0.00 H new ATOM 0 HG13 ILE A 75 9.948 2.735 -1.486 1.00 0.00 H new ATOM 0 HG21 ILE A 75 8.063 5.866 -0.513 1.00 0.00 H new ATOM 0 HG22 ILE A 75 9.204 6.289 0.786 1.00 0.00 H new ATOM 0 HG23 ILE A 75 9.716 6.387 -0.916 1.00 0.00 H new ATOM 0 HD11 ILE A 75 7.755 2.805 -2.627 1.00 0.00 H new ATOM 0 HD12 ILE A 75 7.536 2.681 -0.865 1.00 0.00 H new ATOM 0 HD13 ILE A 75 7.300 4.244 -1.683 1.00 0.00 H new ATOM 1251 N PRO A 76 12.536 6.045 1.113 1.00 0.00 N ATOM 1252 CA PRO A 76 13.012 7.046 2.052 1.00 0.00 C ATOM 1253 C PRO A 76 12.135 8.299 2.011 1.00 0.00 C ATOM 1254 O PRO A 76 12.275 9.130 1.115 1.00 0.00 O ATOM 1255 CB PRO A 76 14.452 7.315 1.644 1.00 0.00 C ATOM 1256 CG PRO A 76 14.582 6.806 0.217 1.00 0.00 C ATOM 1257 CD PRO A 76 13.368 5.943 -0.082 1.00 0.00 C ATOM 0 HA PRO A 76 12.961 6.709 3.087 1.00 0.00 H new ATOM 0 HB2 PRO A 76 14.682 8.379 1.702 1.00 0.00 H new ATOM 0 HB3 PRO A 76 15.148 6.802 2.307 1.00 0.00 H new ATOM 0 HG2 PRO A 76 14.639 7.640 -0.482 1.00 0.00 H new ATOM 0 HG3 PRO A 76 15.499 6.229 0.100 1.00 0.00 H new ATOM 0 HD2 PRO A 76 12.837 6.299 -0.965 1.00 0.00 H new ATOM 0 HD3 PRO A 76 13.655 4.910 -0.277 1.00 0.00 H new ATOM 1265 N GLY A 77 11.249 8.395 2.992 1.00 0.00 N ATOM 1266 CA GLY A 77 10.349 9.532 3.079 1.00 0.00 C ATOM 1267 C GLY A 77 8.895 9.097 2.886 1.00 0.00 C ATOM 1268 O GLY A 77 8.103 9.817 2.281 1.00 0.00 O ATOM 0 H GLY A 77 11.136 7.704 3.733 1.00 0.00 H new ATOM 0 HA2 GLY A 77 10.462 10.016 4.049 1.00 0.00 H new ATOM 0 HA3 GLY A 77 10.615 10.270 2.322 1.00 0.00 H new ATOM 1272 N THR A 78 8.589 7.920 3.412 1.00 0.00 N ATOM 1273 CA THR A 78 7.244 7.380 3.306 1.00 0.00 C ATOM 1274 C THR A 78 6.479 7.591 4.614 1.00 0.00 C ATOM 1275 O THR A 78 6.834 7.020 5.644 1.00 0.00 O ATOM 1276 CB THR A 78 7.356 5.909 2.898 1.00 0.00 C ATOM 1277 OG1 THR A 78 6.137 5.647 2.208 1.00 0.00 O ATOM 1278 CG2 THR A 78 7.315 4.964 4.101 1.00 0.00 C ATOM 0 H THR A 78 9.249 7.325 3.913 1.00 0.00 H new ATOM 0 HA THR A 78 6.668 7.902 2.542 1.00 0.00 H new ATOM 0 HB THR A 78 8.283 5.754 2.346 1.00 0.00 H new ATOM 0 HG1 THR A 78 6.126 4.715 1.906 1.00 0.00 H new ATOM 0 HG21 THR A 78 7.398 3.933 3.757 1.00 0.00 H new ATOM 0 HG22 THR A 78 8.145 5.191 4.770 1.00 0.00 H new ATOM 0 HG23 THR A 78 6.373 5.094 4.634 1.00 0.00 H new ATOM 1286 N LYS A 79 5.444 8.414 4.530 1.00 0.00 N ATOM 1287 CA LYS A 79 4.626 8.708 5.695 1.00 0.00 C ATOM 1288 C LYS A 79 3.994 7.413 6.209 1.00 0.00 C ATOM 1289 O LYS A 79 3.492 7.365 7.331 1.00 0.00 O ATOM 1290 CB LYS A 79 3.607 9.803 5.371 1.00 0.00 C ATOM 1291 CG LYS A 79 4.143 11.182 5.760 1.00 0.00 C ATOM 1292 CD LYS A 79 3.015 12.089 6.255 1.00 0.00 C ATOM 1293 CE LYS A 79 3.556 13.184 7.176 1.00 0.00 C ATOM 1294 NZ LYS A 79 3.499 14.502 6.504 1.00 0.00 N ATOM 0 H LYS A 79 5.153 8.886 3.674 1.00 0.00 H new ATOM 0 HA LYS A 79 5.241 9.105 6.502 1.00 0.00 H new ATOM 0 HB2 LYS A 79 3.375 9.786 4.306 1.00 0.00 H new ATOM 0 HB3 LYS A 79 2.676 9.607 5.903 1.00 0.00 H new ATOM 0 HG2 LYS A 79 4.898 11.076 6.539 1.00 0.00 H new ATOM 0 HG3 LYS A 79 4.633 11.641 4.901 1.00 0.00 H new ATOM 0 HD2 LYS A 79 2.508 12.543 5.403 1.00 0.00 H new ATOM 0 HD3 LYS A 79 2.273 11.495 6.788 1.00 0.00 H new ATOM 0 HE2 LYS A 79 2.974 13.213 8.097 1.00 0.00 H new ATOM 0 HE3 LYS A 79 4.584 12.956 7.456 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 3.870 15.234 7.143 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 4.074 14.475 5.638 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 2.513 14.724 6.259 1.00 0.00 H new ATOM 1308 N MET A 80 4.039 6.393 5.363 1.00 0.00 N ATOM 1309 CA MET A 80 3.477 5.101 5.718 1.00 0.00 C ATOM 1310 C MET A 80 4.142 4.541 6.976 1.00 0.00 C ATOM 1311 O MET A 80 5.166 3.864 6.892 1.00 0.00 O ATOM 1312 CB MET A 80 3.672 4.123 4.558 1.00 0.00 C ATOM 1313 CG MET A 80 3.104 2.745 4.901 1.00 0.00 C ATOM 1314 SD MET A 80 2.749 1.841 3.403 1.00 0.00 S ATOM 1315 CE MET A 80 2.373 0.237 4.091 1.00 0.00 C ATOM 0 H MET A 80 4.456 6.436 4.433 1.00 0.00 H new ATOM 0 HA MET A 80 2.414 5.231 5.920 1.00 0.00 H new ATOM 0 HB2 MET A 80 3.182 4.510 3.665 1.00 0.00 H new ATOM 0 HB3 MET A 80 4.733 4.035 4.326 1.00 0.00 H new ATOM 0 HG2 MET A 80 3.817 2.190 5.510 1.00 0.00 H new ATOM 0 HG3 MET A 80 2.196 2.854 5.494 1.00 0.00 H new ATOM 0 HE1 MET A 80 1.909 -0.387 3.327 1.00 0.00 H new ATOM 0 HE2 MET A 80 3.293 -0.236 4.436 1.00 0.00 H new ATOM 0 HE3 MET A 80 1.688 0.353 4.931 1.00 0.00 H new ATOM 1325 N ALA A 81 3.534 4.844 8.114 1.00 0.00 N ATOM 1326 CA ALA A 81 4.055 4.379 9.388 1.00 0.00 C ATOM 1327 C ALA A 81 3.537 2.965 9.661 1.00 0.00 C ATOM 1328 O ALA A 81 2.718 2.762 10.556 1.00 0.00 O ATOM 1329 CB ALA A 81 3.665 5.365 10.490 1.00 0.00 C ATOM 0 H ALA A 81 2.685 5.406 8.180 1.00 0.00 H new ATOM 0 HA ALA A 81 5.144 4.332 9.363 1.00 0.00 H new ATOM 0 HB1 ALA A 81 4.056 5.016 11.446 1.00 0.00 H new ATOM 0 HB2 ALA A 81 4.082 6.347 10.264 1.00 0.00 H new ATOM 0 HB3 ALA A 81 2.579 5.436 10.547 1.00 0.00 H new ATOM 1335 N PHE A 82 4.035 2.024 8.872 1.00 0.00 N ATOM 1336 CA PHE A 82 3.633 0.636 9.017 1.00 0.00 C ATOM 1337 C PHE A 82 4.813 -0.234 9.456 1.00 0.00 C ATOM 1338 O PHE A 82 5.884 -0.183 8.853 1.00 0.00 O ATOM 1339 CB PHE A 82 3.149 0.164 7.645 1.00 0.00 C ATOM 1340 CG PHE A 82 2.802 -1.325 7.585 1.00 0.00 C ATOM 1341 CD1 PHE A 82 2.039 -1.885 8.561 1.00 0.00 C ATOM 1342 CD2 PHE A 82 3.256 -2.088 6.555 1.00 0.00 C ATOM 1343 CE1 PHE A 82 1.717 -3.267 8.506 1.00 0.00 C ATOM 1344 CE2 PHE A 82 2.934 -3.470 6.499 1.00 0.00 C ATOM 1345 CZ PHE A 82 2.171 -4.030 7.476 1.00 0.00 C ATOM 0 H PHE A 82 4.714 2.196 8.130 1.00 0.00 H new ATOM 0 HA PHE A 82 2.853 0.552 9.774 1.00 0.00 H new ATOM 0 HB2 PHE A 82 2.270 0.743 7.363 1.00 0.00 H new ATOM 0 HB3 PHE A 82 3.921 0.376 6.906 1.00 0.00 H new ATOM 0 HD1 PHE A 82 1.678 -1.279 9.378 1.00 0.00 H new ATOM 0 HD2 PHE A 82 3.862 -1.643 5.779 1.00 0.00 H new ATOM 0 HE1 PHE A 82 1.112 -3.712 9.282 1.00 0.00 H new ATOM 0 HE2 PHE A 82 3.295 -4.076 5.681 1.00 0.00 H new ATOM 0 HZ PHE A 82 1.926 -5.081 7.434 1.00 0.00 H new ATOM 1355 N GLY A 83 4.576 -1.013 10.501 1.00 0.00 N ATOM 1356 CA GLY A 83 5.606 -1.893 11.027 1.00 0.00 C ATOM 1357 C GLY A 83 6.108 -2.855 9.949 1.00 0.00 C ATOM 1358 O GLY A 83 7.298 -2.878 9.637 1.00 0.00 O ATOM 0 H GLY A 83 3.686 -1.053 10.998 1.00 0.00 H new ATOM 0 HA2 GLY A 83 6.438 -1.299 11.406 1.00 0.00 H new ATOM 0 HA3 GLY A 83 5.210 -2.460 11.869 1.00 0.00 H new ATOM 1362 N GLY A 84 5.176 -3.627 9.408 1.00 0.00 N ATOM 1363 CA GLY A 84 5.510 -4.588 8.371 1.00 0.00 C ATOM 1364 C GLY A 84 5.178 -6.013 8.818 1.00 0.00 C ATOM 1365 O GLY A 84 5.317 -6.348 9.993 1.00 0.00 O ATOM 0 H GLY A 84 4.190 -3.606 9.669 1.00 0.00 H new ATOM 0 HA2 GLY A 84 4.960 -4.351 7.460 1.00 0.00 H new ATOM 0 HA3 GLY A 84 6.571 -4.516 8.131 1.00 0.00 H new ATOM 1369 N LEU A 85 4.745 -6.815 7.856 1.00 0.00 N ATOM 1370 CA LEU A 85 4.392 -8.197 8.135 1.00 0.00 C ATOM 1371 C LEU A 85 5.670 -9.020 8.308 1.00 0.00 C ATOM 1372 O LEU A 85 6.766 -8.466 8.372 1.00 0.00 O ATOM 1373 CB LEU A 85 3.452 -8.739 7.056 1.00 0.00 C ATOM 1374 CG LEU A 85 2.079 -8.070 6.965 1.00 0.00 C ATOM 1375 CD1 LEU A 85 1.765 -7.656 5.527 1.00 0.00 C ATOM 1376 CD2 LEU A 85 0.991 -8.972 7.552 1.00 0.00 C ATOM 0 H LEU A 85 4.631 -6.534 6.882 1.00 0.00 H new ATOM 0 HA LEU A 85 3.838 -8.267 9.071 1.00 0.00 H new ATOM 0 HB2 LEU A 85 3.946 -8.642 6.089 1.00 0.00 H new ATOM 0 HB3 LEU A 85 3.304 -9.804 7.233 1.00 0.00 H new ATOM 0 HG LEU A 85 2.102 -7.160 7.564 1.00 0.00 H new ATOM 0 HD11 LEU A 85 0.784 -7.183 5.491 1.00 0.00 H new ATOM 0 HD12 LEU A 85 2.520 -6.952 5.178 1.00 0.00 H new ATOM 0 HD13 LEU A 85 1.767 -8.538 4.886 1.00 0.00 H new ATOM 0 HD21 LEU A 85 0.025 -8.474 7.475 1.00 0.00 H new ATOM 0 HD22 LEU A 85 0.960 -9.911 7.000 1.00 0.00 H new ATOM 0 HD23 LEU A 85 1.213 -9.175 8.600 1.00 0.00 H new ATOM 1388 N LYS A 86 5.486 -10.330 8.379 1.00 0.00 N ATOM 1389 CA LYS A 86 6.611 -11.236 8.544 1.00 0.00 C ATOM 1390 C LYS A 86 6.278 -12.579 7.892 1.00 0.00 C ATOM 1391 O LYS A 86 6.991 -13.034 6.999 1.00 0.00 O ATOM 1392 CB LYS A 86 6.998 -11.347 10.020 1.00 0.00 C ATOM 1393 CG LYS A 86 8.454 -10.930 10.238 1.00 0.00 C ATOM 1394 CD LYS A 86 8.751 -10.734 11.726 1.00 0.00 C ATOM 1395 CE LYS A 86 9.366 -11.996 12.334 1.00 0.00 C ATOM 1396 NZ LYS A 86 10.622 -11.669 13.044 1.00 0.00 N ATOM 0 H LYS A 86 4.575 -10.786 8.325 1.00 0.00 H new ATOM 0 HA LYS A 86 7.493 -10.845 8.037 1.00 0.00 H new ATOM 0 HB2 LYS A 86 6.342 -10.717 10.620 1.00 0.00 H new ATOM 0 HB3 LYS A 86 6.855 -12.372 10.361 1.00 0.00 H new ATOM 0 HG2 LYS A 86 9.119 -11.690 9.828 1.00 0.00 H new ATOM 0 HG3 LYS A 86 8.656 -10.005 9.698 1.00 0.00 H new ATOM 0 HD2 LYS A 86 9.433 -9.894 11.857 1.00 0.00 H new ATOM 0 HD3 LYS A 86 7.831 -10.483 12.254 1.00 0.00 H new ATOM 0 HE2 LYS A 86 8.659 -12.455 13.025 1.00 0.00 H new ATOM 0 HE3 LYS A 86 9.564 -12.726 11.549 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 11.027 -12.536 13.451 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 11.300 -11.251 12.375 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 10.423 -10.989 13.806 1.00 0.00 H new ATOM 1410 N LYS A 87 5.194 -13.177 8.365 1.00 0.00 N ATOM 1411 CA LYS A 87 4.758 -14.460 7.839 1.00 0.00 C ATOM 1412 C LYS A 87 4.444 -14.315 6.349 1.00 0.00 C ATOM 1413 O LYS A 87 3.315 -14.000 5.977 1.00 0.00 O ATOM 1414 CB LYS A 87 3.591 -15.008 8.663 1.00 0.00 C ATOM 1415 CG LYS A 87 4.067 -15.494 10.034 1.00 0.00 C ATOM 1416 CD LYS A 87 4.752 -16.857 9.924 1.00 0.00 C ATOM 1417 CE LYS A 87 3.944 -17.937 10.647 1.00 0.00 C ATOM 1418 NZ LYS A 87 4.847 -18.909 11.301 1.00 0.00 N ATOM 0 H LYS A 87 4.605 -12.797 9.106 1.00 0.00 H new ATOM 0 HA LYS A 87 5.555 -15.199 7.927 1.00 0.00 H new ATOM 0 HB2 LYS A 87 2.836 -14.233 8.790 1.00 0.00 H new ATOM 0 HB3 LYS A 87 3.117 -15.830 8.127 1.00 0.00 H new ATOM 0 HG2 LYS A 87 4.759 -14.768 10.461 1.00 0.00 H new ATOM 0 HG3 LYS A 87 3.218 -15.563 10.714 1.00 0.00 H new ATOM 0 HD2 LYS A 87 4.868 -17.126 8.874 1.00 0.00 H new ATOM 0 HD3 LYS A 87 5.753 -16.800 10.351 1.00 0.00 H new ATOM 0 HE2 LYS A 87 3.295 -17.476 11.392 1.00 0.00 H new ATOM 0 HE3 LYS A 87 3.298 -18.453 9.937 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 4.282 -19.635 11.787 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 5.449 -19.361 10.583 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 5.446 -18.415 11.993 1.00 0.00 H new ATOM 1432 N GLU A 88 5.463 -14.553 5.536 1.00 0.00 N ATOM 1433 CA GLU A 88 5.309 -14.454 4.095 1.00 0.00 C ATOM 1434 C GLU A 88 3.945 -14.997 3.667 1.00 0.00 C ATOM 1435 O GLU A 88 3.327 -14.473 2.741 1.00 0.00 O ATOM 1436 CB GLU A 88 6.442 -15.185 3.371 1.00 0.00 C ATOM 1437 CG GLU A 88 7.404 -14.193 2.714 1.00 0.00 C ATOM 1438 CD GLU A 88 7.862 -14.698 1.345 1.00 0.00 C ATOM 1439 OE1 GLU A 88 6.991 -15.212 0.609 1.00 0.00 O ATOM 1440 OE2 GLU A 88 9.072 -14.560 1.064 1.00 0.00 O ATOM 0 H GLU A 88 6.398 -14.814 5.848 1.00 0.00 H new ATOM 0 HA GLU A 88 5.362 -13.402 3.816 1.00 0.00 H new ATOM 0 HB2 GLU A 88 6.986 -15.810 4.079 1.00 0.00 H new ATOM 0 HB3 GLU A 88 6.025 -15.849 2.614 1.00 0.00 H new ATOM 0 HG2 GLU A 88 6.915 -13.225 2.603 1.00 0.00 H new ATOM 0 HG3 GLU A 88 8.270 -14.040 3.358 1.00 0.00 H new ATOM 1447 N LYS A 89 3.514 -16.040 4.362 1.00 0.00 N ATOM 1448 CA LYS A 89 2.234 -16.659 4.066 1.00 0.00 C ATOM 1449 C LYS A 89 1.163 -15.573 3.942 1.00 0.00 C ATOM 1450 O LYS A 89 0.573 -15.397 2.878 1.00 0.00 O ATOM 1451 CB LYS A 89 1.904 -17.732 5.106 1.00 0.00 C ATOM 1452 CG LYS A 89 3.124 -18.610 5.393 1.00 0.00 C ATOM 1453 CD LYS A 89 2.773 -20.094 5.268 1.00 0.00 C ATOM 1454 CE LYS A 89 3.879 -20.859 4.537 1.00 0.00 C ATOM 1455 NZ LYS A 89 5.119 -20.874 5.344 1.00 0.00 N ATOM 0 H LYS A 89 4.029 -16.472 5.129 1.00 0.00 H new ATOM 0 HA LYS A 89 2.275 -17.178 3.108 1.00 0.00 H new ATOM 0 HB2 LYS A 89 1.567 -17.258 6.028 1.00 0.00 H new ATOM 0 HB3 LYS A 89 1.082 -18.351 4.747 1.00 0.00 H new ATOM 0 HG2 LYS A 89 3.926 -18.363 4.698 1.00 0.00 H new ATOM 0 HG3 LYS A 89 3.497 -18.404 6.396 1.00 0.00 H new ATOM 0 HD2 LYS A 89 2.625 -20.521 6.260 1.00 0.00 H new ATOM 0 HD3 LYS A 89 1.832 -20.205 4.729 1.00 0.00 H new ATOM 0 HE2 LYS A 89 3.554 -21.881 4.340 1.00 0.00 H new ATOM 0 HE3 LYS A 89 4.073 -20.394 3.570 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 5.832 -21.467 4.874 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 5.483 -19.905 5.439 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 4.914 -21.261 6.288 1.00 0.00 H new ATOM 1469 N ASP A 90 0.945 -14.874 5.046 1.00 0.00 N ATOM 1470 CA ASP A 90 -0.045 -13.810 5.075 1.00 0.00 C ATOM 1471 C ASP A 90 0.372 -12.706 4.101 1.00 0.00 C ATOM 1472 O ASP A 90 -0.452 -12.202 3.339 1.00 0.00 O ATOM 1473 CB ASP A 90 -0.150 -13.194 6.471 1.00 0.00 C ATOM 1474 CG ASP A 90 -1.288 -13.742 7.336 1.00 0.00 C ATOM 1475 OD1 ASP A 90 -2.287 -14.196 6.737 1.00 0.00 O ATOM 1476 OD2 ASP A 90 -1.132 -13.694 8.575 1.00 0.00 O ATOM 0 H ASP A 90 1.437 -15.023 5.927 1.00 0.00 H new ATOM 0 HA ASP A 90 -1.008 -14.237 4.796 1.00 0.00 H new ATOM 0 HB2 ASP A 90 0.793 -13.354 6.994 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -0.279 -12.117 6.368 1.00 0.00 H new ATOM 1481 N ARG A 91 1.650 -12.362 4.158 1.00 0.00 N ATOM 1482 CA ARG A 91 2.186 -11.327 3.290 1.00 0.00 C ATOM 1483 C ARG A 91 1.802 -11.603 1.835 1.00 0.00 C ATOM 1484 O ARG A 91 1.439 -10.686 1.100 1.00 0.00 O ATOM 1485 CB ARG A 91 3.709 -11.248 3.403 1.00 0.00 C ATOM 1486 CG ARG A 91 4.148 -11.188 4.867 1.00 0.00 C ATOM 1487 CD ARG A 91 5.414 -10.343 5.026 1.00 0.00 C ATOM 1488 NE ARG A 91 6.558 -11.019 4.374 1.00 0.00 N ATOM 1489 CZ ARG A 91 7.841 -10.807 4.699 1.00 0.00 C ATOM 1490 NH1 ARG A 91 8.151 -9.938 5.671 1.00 0.00 N ATOM 1491 NH2 ARG A 91 8.813 -11.465 4.054 1.00 0.00 N ATOM 0 H ARG A 91 2.330 -12.782 4.792 1.00 0.00 H new ATOM 0 HA ARG A 91 1.760 -10.375 3.607 1.00 0.00 H new ATOM 0 HB2 ARG A 91 4.158 -12.116 2.920 1.00 0.00 H new ATOM 0 HB3 ARG A 91 4.071 -10.366 2.875 1.00 0.00 H new ATOM 0 HG2 ARG A 91 3.347 -10.766 5.474 1.00 0.00 H new ATOM 0 HG3 ARG A 91 4.331 -12.197 5.237 1.00 0.00 H new ATOM 0 HD2 ARG A 91 5.262 -9.359 4.583 1.00 0.00 H new ATOM 0 HD3 ARG A 91 5.627 -10.188 6.084 1.00 0.00 H new ATOM 0 HE ARG A 91 6.357 -11.688 3.631 1.00 0.00 H new ATOM 0 HH11 ARG A 91 7.411 -9.438 6.163 1.00 0.00 H new ATOM 0 HH12 ARG A 91 9.127 -9.777 5.918 1.00 0.00 H new ATOM 0 HH21 ARG A 91 8.577 -12.128 3.315 1.00 0.00 H new ATOM 0 HH22 ARG A 91 9.789 -11.304 4.301 1.00 0.00 H new ATOM 1505 N ASN A 92 1.896 -12.871 1.462 1.00 0.00 N ATOM 1506 CA ASN A 92 1.564 -13.280 0.108 1.00 0.00 C ATOM 1507 C ASN A 92 0.044 -13.276 -0.063 1.00 0.00 C ATOM 1508 O ASN A 92 -0.468 -12.830 -1.089 1.00 0.00 O ATOM 1509 CB ASN A 92 2.068 -14.695 -0.180 1.00 0.00 C ATOM 1510 CG ASN A 92 3.579 -14.701 -0.422 1.00 0.00 C ATOM 1511 OD1 ASN A 92 4.175 -13.710 -0.812 1.00 0.00 O ATOM 1512 ND2 ASN A 92 4.163 -15.868 -0.169 1.00 0.00 N ATOM 0 H ASN A 92 2.198 -13.629 2.074 1.00 0.00 H new ATOM 0 HA ASN A 92 2.039 -12.581 -0.581 1.00 0.00 H new ATOM 0 HB2 ASN A 92 1.828 -15.348 0.659 1.00 0.00 H new ATOM 0 HB3 ASN A 92 1.555 -15.097 -1.054 1.00 0.00 H new ATOM 0 HD21 ASN A 92 5.169 -15.974 -0.299 1.00 0.00 H new ATOM 0 HD22 ASN A 92 3.605 -16.658 0.155 1.00 0.00 H new ATOM 1519 N ASP A 93 -0.636 -13.777 0.958 1.00 0.00 N ATOM 1520 CA ASP A 93 -2.087 -13.837 0.934 1.00 0.00 C ATOM 1521 C ASP A 93 -2.647 -12.436 0.679 1.00 0.00 C ATOM 1522 O ASP A 93 -3.249 -12.184 -0.363 1.00 0.00 O ATOM 1523 CB ASP A 93 -2.641 -14.331 2.272 1.00 0.00 C ATOM 1524 CG ASP A 93 -2.495 -15.835 2.516 1.00 0.00 C ATOM 1525 OD1 ASP A 93 -2.139 -16.536 1.544 1.00 0.00 O ATOM 1526 OD2 ASP A 93 -2.743 -16.249 3.669 1.00 0.00 O ATOM 0 H ASP A 93 -0.208 -14.145 1.808 1.00 0.00 H new ATOM 0 HA ASP A 93 -2.382 -14.528 0.145 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -2.136 -13.797 3.077 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -3.698 -14.070 2.330 1.00 0.00 H new ATOM 1531 N LEU A 94 -2.428 -11.561 1.649 1.00 0.00 N ATOM 1532 CA LEU A 94 -2.903 -10.192 1.544 1.00 0.00 C ATOM 1533 C LEU A 94 -2.703 -9.697 0.110 1.00 0.00 C ATOM 1534 O LEU A 94 -3.661 -9.306 -0.555 1.00 0.00 O ATOM 1535 CB LEU A 94 -2.233 -9.309 2.598 1.00 0.00 C ATOM 1536 CG LEU A 94 -2.938 -7.988 2.913 1.00 0.00 C ATOM 1537 CD1 LEU A 94 -4.383 -8.229 3.353 1.00 0.00 C ATOM 1538 CD2 LEU A 94 -2.151 -7.180 3.948 1.00 0.00 C ATOM 0 H LEU A 94 -1.928 -11.774 2.512 1.00 0.00 H new ATOM 0 HA LEU A 94 -3.971 -10.143 1.754 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -2.147 -9.881 3.522 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -1.219 -9.087 2.266 1.00 0.00 H new ATOM 0 HG LEU A 94 -2.974 -7.394 2.000 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -4.861 -7.274 3.571 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -4.927 -8.734 2.555 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -4.392 -8.852 4.248 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -2.673 -6.246 4.154 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -2.062 -7.757 4.869 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -1.156 -6.961 3.559 1.00 0.00 H new ATOM 1550 N ILE A 95 -1.452 -9.729 -0.324 1.00 0.00 N ATOM 1551 CA ILE A 95 -1.114 -9.289 -1.667 1.00 0.00 C ATOM 1552 C ILE A 95 -2.165 -9.809 -2.650 1.00 0.00 C ATOM 1553 O ILE A 95 -2.642 -9.065 -3.506 1.00 0.00 O ATOM 1554 CB ILE A 95 0.316 -9.700 -2.022 1.00 0.00 C ATOM 1555 CG1 ILE A 95 1.335 -8.908 -1.198 1.00 0.00 C ATOM 1556 CG2 ILE A 95 0.568 -9.568 -3.525 1.00 0.00 C ATOM 1557 CD1 ILE A 95 2.739 -9.496 -1.352 1.00 0.00 C ATOM 0 H ILE A 95 -0.660 -10.053 0.231 1.00 0.00 H new ATOM 0 HA ILE A 95 -1.132 -8.201 -1.726 1.00 0.00 H new ATOM 0 HB ILE A 95 0.442 -10.752 -1.766 1.00 0.00 H new ATOM 0 HG12 ILE A 95 1.336 -7.866 -1.518 1.00 0.00 H new ATOM 0 HG13 ILE A 95 1.046 -8.918 -0.147 1.00 0.00 H new ATOM 0 HG21 ILE A 95 1.592 -9.866 -3.750 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -0.125 -10.211 -4.068 1.00 0.00 H new ATOM 0 HG23 ILE A 95 0.417 -8.532 -3.830 1.00 0.00 H new ATOM 0 HD11 ILE A 95 3.444 -8.915 -0.757 1.00 0.00 H new ATOM 0 HD12 ILE A 95 2.740 -10.530 -1.009 1.00 0.00 H new ATOM 0 HD13 ILE A 95 3.035 -9.462 -2.401 1.00 0.00 H new ATOM 1569 N THR A 96 -2.495 -11.082 -2.494 1.00 0.00 N ATOM 1570 CA THR A 96 -3.481 -11.711 -3.356 1.00 0.00 C ATOM 1571 C THR A 96 -4.859 -11.082 -3.138 1.00 0.00 C ATOM 1572 O THR A 96 -5.489 -10.615 -4.086 1.00 0.00 O ATOM 1573 CB THR A 96 -3.452 -13.217 -3.090 1.00 0.00 C ATOM 1574 OG1 THR A 96 -2.773 -13.757 -4.221 1.00 0.00 O ATOM 1575 CG2 THR A 96 -4.843 -13.851 -3.153 1.00 0.00 C ATOM 0 H THR A 96 -2.097 -11.696 -1.783 1.00 0.00 H new ATOM 0 HA THR A 96 -3.246 -11.548 -4.408 1.00 0.00 H new ATOM 0 HB THR A 96 -3.013 -13.403 -2.110 1.00 0.00 H new ATOM 0 HG1 THR A 96 -1.996 -14.273 -3.920 1.00 0.00 H new ATOM 0 HG21 THR A 96 -4.765 -14.920 -2.957 1.00 0.00 H new ATOM 0 HG22 THR A 96 -5.487 -13.391 -2.403 1.00 0.00 H new ATOM 0 HG23 THR A 96 -5.270 -13.694 -4.144 1.00 0.00 H new ATOM 1583 N TYR A 97 -5.286 -11.091 -1.884 1.00 0.00 N ATOM 1584 CA TYR A 97 -6.578 -10.528 -1.529 1.00 0.00 C ATOM 1585 C TYR A 97 -6.675 -9.064 -1.964 1.00 0.00 C ATOM 1586 O TYR A 97 -7.713 -8.628 -2.459 1.00 0.00 O ATOM 1587 CB TYR A 97 -6.665 -10.601 -0.004 1.00 0.00 C ATOM 1588 CG TYR A 97 -7.861 -9.852 0.588 1.00 0.00 C ATOM 1589 CD1 TYR A 97 -7.747 -8.514 0.908 1.00 0.00 C ATOM 1590 CD2 TYR A 97 -9.053 -10.513 0.801 1.00 0.00 C ATOM 1591 CE1 TYR A 97 -8.872 -7.809 1.465 1.00 0.00 C ATOM 1592 CE2 TYR A 97 -10.178 -9.808 1.358 1.00 0.00 C ATOM 1593 CZ TYR A 97 -10.032 -8.491 1.663 1.00 0.00 C ATOM 1594 OH TYR A 97 -11.095 -7.824 2.188 1.00 0.00 O ATOM 0 H TYR A 97 -4.760 -11.479 -1.101 1.00 0.00 H new ATOM 0 HA TYR A 97 -7.383 -11.074 -2.020 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -6.720 -11.647 0.297 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -5.748 -10.194 0.422 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -6.814 -7.996 0.741 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -9.142 -11.560 0.550 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -8.796 -6.762 1.720 1.00 0.00 H new ATOM 0 HE2 TYR A 97 -11.117 -10.314 1.530 1.00 0.00 H new ATOM 0 HH TYR A 97 -11.856 -8.436 2.273 1.00 0.00 H new ATOM 1604 N LEU A 98 -5.580 -8.346 -1.763 1.00 0.00 N ATOM 1605 CA LEU A 98 -5.529 -6.941 -2.128 1.00 0.00 C ATOM 1606 C LEU A 98 -5.870 -6.791 -3.612 1.00 0.00 C ATOM 1607 O LEU A 98 -6.648 -5.915 -3.989 1.00 0.00 O ATOM 1608 CB LEU A 98 -4.177 -6.336 -1.744 1.00 0.00 C ATOM 1609 CG LEU A 98 -4.226 -5.126 -0.808 1.00 0.00 C ATOM 1610 CD1 LEU A 98 -3.793 -5.511 0.608 1.00 0.00 C ATOM 1611 CD2 LEU A 98 -3.396 -3.968 -1.366 1.00 0.00 C ATOM 0 H LEU A 98 -4.721 -8.711 -1.352 1.00 0.00 H new ATOM 0 HA LEU A 98 -6.275 -6.376 -1.570 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -3.575 -7.112 -1.271 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -3.659 -6.043 -2.658 1.00 0.00 H new ATOM 0 HG LEU A 98 -5.259 -4.782 -0.747 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -3.837 -4.633 1.253 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -4.461 -6.280 0.996 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -2.773 -5.894 0.585 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -3.448 -3.121 -0.682 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -2.358 -4.284 -1.475 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -3.790 -3.674 -2.339 1.00 0.00 H new ATOM 1623 N LYS A 99 -5.272 -7.659 -4.415 1.00 0.00 N ATOM 1624 CA LYS A 99 -5.502 -7.634 -5.849 1.00 0.00 C ATOM 1625 C LYS A 99 -7.004 -7.523 -6.118 1.00 0.00 C ATOM 1626 O LYS A 99 -7.433 -6.722 -6.947 1.00 0.00 O ATOM 1627 CB LYS A 99 -4.846 -8.844 -6.518 1.00 0.00 C ATOM 1628 CG LYS A 99 -5.075 -8.825 -8.031 1.00 0.00 C ATOM 1629 CD LYS A 99 -6.312 -9.643 -8.408 1.00 0.00 C ATOM 1630 CE LYS A 99 -5.915 -11.016 -8.955 1.00 0.00 C ATOM 1631 NZ LYS A 99 -5.744 -11.984 -7.849 1.00 0.00 N ATOM 0 H LYS A 99 -4.628 -8.384 -4.099 1.00 0.00 H new ATOM 0 HA LYS A 99 -5.032 -6.758 -6.295 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -3.776 -8.844 -6.308 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -5.254 -9.763 -6.096 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -5.197 -7.797 -8.371 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -4.199 -9.227 -8.540 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -6.951 -9.767 -7.534 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -6.895 -9.104 -9.155 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -6.679 -11.374 -9.645 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -4.987 -10.934 -9.521 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -5.475 -12.911 -8.237 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -4.999 -11.648 -7.206 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -6.638 -12.075 -7.326 1.00 0.00 H new ATOM 1645 N LYS A 100 -7.764 -8.339 -5.401 1.00 0.00 N ATOM 1646 CA LYS A 100 -9.209 -8.342 -5.552 1.00 0.00 C ATOM 1647 C LYS A 100 -9.803 -7.179 -4.755 1.00 0.00 C ATOM 1648 O LYS A 100 -10.655 -6.448 -5.259 1.00 0.00 O ATOM 1649 CB LYS A 100 -9.784 -9.707 -5.170 1.00 0.00 C ATOM 1650 CG LYS A 100 -11.265 -9.802 -5.544 1.00 0.00 C ATOM 1651 CD LYS A 100 -11.612 -11.202 -6.055 1.00 0.00 C ATOM 1652 CE LYS A 100 -11.411 -11.299 -7.568 1.00 0.00 C ATOM 1653 NZ LYS A 100 -10.976 -12.662 -7.947 1.00 0.00 N ATOM 0 H LYS A 100 -7.406 -9.002 -4.714 1.00 0.00 H new ATOM 0 HA LYS A 100 -9.484 -8.187 -6.595 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -9.226 -10.495 -5.676 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -9.665 -9.869 -4.099 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -11.879 -9.565 -4.675 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -11.499 -9.063 -6.310 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -10.987 -11.941 -5.554 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -12.647 -11.438 -5.806 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -12.341 -11.052 -8.081 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -10.666 -10.571 -7.889 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -10.844 -12.710 -8.977 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -10.078 -12.884 -7.472 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -11.700 -13.350 -7.658 1.00 0.00 H new ATOM 1667 N ALA A 101 -9.330 -7.043 -3.525 1.00 0.00 N ATOM 1668 CA ALA A 101 -9.803 -5.981 -2.654 1.00 0.00 C ATOM 1669 C ALA A 101 -9.766 -4.652 -3.411 1.00 0.00 C ATOM 1670 O ALA A 101 -10.737 -3.898 -3.397 1.00 0.00 O ATOM 1671 CB ALA A 101 -8.958 -5.951 -1.380 1.00 0.00 C ATOM 0 H ALA A 101 -8.624 -7.651 -3.111 1.00 0.00 H new ATOM 0 HA ALA A 101 -10.836 -6.161 -2.355 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -9.313 -5.154 -0.727 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -9.043 -6.908 -0.865 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -7.915 -5.770 -1.639 1.00 0.00 H new ATOM 1677 N SER A 102 -8.634 -4.405 -4.053 1.00 0.00 N ATOM 1678 CA SER A 102 -8.456 -3.180 -4.814 1.00 0.00 C ATOM 1679 C SER A 102 -9.242 -3.259 -6.124 1.00 0.00 C ATOM 1680 O SER A 102 -9.704 -2.242 -6.638 1.00 0.00 O ATOM 1681 CB SER A 102 -6.976 -2.916 -5.097 1.00 0.00 C ATOM 1682 OG SER A 102 -6.297 -4.094 -5.525 1.00 0.00 O ATOM 0 H SER A 102 -7.830 -5.033 -4.062 1.00 0.00 H new ATOM 0 HA SER A 102 -8.837 -2.350 -4.219 1.00 0.00 H new ATOM 0 HB2 SER A 102 -6.885 -2.146 -5.863 1.00 0.00 H new ATOM 0 HB3 SER A 102 -6.498 -2.528 -4.197 1.00 0.00 H new ATOM 0 HG SER A 102 -6.083 -4.649 -4.746 1.00 0.00 H new ATOM 1688 N GLU A 103 -9.368 -4.478 -6.628 1.00 0.00 N ATOM 1689 CA GLU A 103 -10.090 -4.704 -7.869 1.00 0.00 C ATOM 1690 C GLU A 103 -11.394 -5.456 -7.596 1.00 0.00 C ATOM 1691 O GLU A 103 -12.389 -4.855 -7.196 1.00 0.00 O ATOM 1692 CB GLU A 103 -9.222 -5.459 -8.878 1.00 0.00 C ATOM 1693 CG GLU A 103 -9.527 -5.009 -10.308 1.00 0.00 C ATOM 1694 CD GLU A 103 -9.141 -3.543 -10.515 1.00 0.00 C ATOM 1695 OE1 GLU A 103 -9.983 -2.682 -10.182 1.00 0.00 O ATOM 1696 OE2 GLU A 103 -8.012 -3.316 -11.002 1.00 0.00 O ATOM 0 H GLU A 103 -8.982 -5.320 -6.200 1.00 0.00 H new ATOM 0 HA GLU A 103 -10.337 -3.736 -8.304 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -8.168 -5.289 -8.656 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -9.398 -6.531 -8.785 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -8.982 -5.636 -11.014 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -10.589 -5.142 -10.517 1.00 0.00 H new TER 1703 GLU A 103 HETATM 1704 FE HEC A 104 0.199 1.837 3.241 1.00 0.00 FE HETATM 1705 CHA HEC A 104 1.345 4.168 1.070 1.00 0.00 C HETATM 1706 CHB HEC A 104 -0.372 -0.276 0.777 1.00 0.00 C HETATM 1707 CHC HEC A 104 -0.431 -0.480 5.595 1.00 0.00 C HETATM 1708 CHD HEC A 104 0.176 4.226 5.687 1.00 0.00 C HETATM 1709 NA HEC A 104 0.441 1.977 1.369 1.00 0.00 N HETATM 1710 C1A HEC A 104 0.908 2.950 0.571 1.00 0.00 C HETATM 1711 C2A HEC A 104 1.200 2.465 -0.800 1.00 0.00 C HETATM 1712 C3A HEC A 104 0.685 1.236 -0.849 1.00 0.00 C HETATM 1713 C4A HEC A 104 0.241 0.858 0.419 1.00 0.00 C HETATM 1714 CMA HEC A 104 0.707 0.285 -2.106 1.00 0.00 C HETATM 1715 CAA HEC A 104 1.736 3.378 -1.866 1.00 0.00 C HETATM 1716 CBA HEC A 104 0.779 4.605 -2.017 1.00 0.00 C HETATM 1717 CGA HEC A 104 1.387 5.997 -1.950 1.00 0.00 C HETATM 1718 O1A HEC A 104 0.611 6.859 -1.523 1.00 0.00 O HETATM 1719 O2A HEC A 104 2.573 6.190 -2.294 1.00 0.00 O HETATM 1720 NB HEC A 104 -0.319 -0.034 3.219 1.00 0.00 N HETATM 1721 C1B HEC A 104 -0.714 -0.688 2.058 1.00 0.00 C HETATM 1722 C2B HEC A 104 -1.105 -2.030 2.480 1.00 0.00 C HETATM 1723 C3B HEC A 104 -1.069 -2.143 3.831 1.00 0.00 C HETATM 1724 C4B HEC A 104 -0.622 -0.842 4.248 1.00 0.00 C HETATM 1725 CMB HEC A 104 -1.643 -3.086 1.446 1.00 0.00 C HETATM 1726 CAB HEC A 104 -1.455 -3.267 4.757 1.00 0.00 C HETATM 1727 CBB HEC A 104 -0.596 -4.533 4.603 1.00 0.00 C HETATM 1728 NC HEC A 104 -0.072 1.920 5.293 1.00 0.00 N HETATM 1729 C1C HEC A 104 -0.316 0.874 6.130 1.00 0.00 C HETATM 1730 C2C HEC A 104 -0.559 1.168 7.488 1.00 0.00 C HETATM 1731 C3C HEC A 104 -0.340 2.499 7.525 1.00 0.00 C HETATM 1732 C4C HEC A 104 -0.127 2.983 6.163 1.00 0.00 C HETATM 1733 CMC HEC A 104 -0.865 0.240 8.623 1.00 0.00 C HETATM 1734 CAC HEC A 104 -0.610 3.548 8.648 1.00 0.00 C HETATM 1735 CBC HEC A 104 0.147 3.202 9.951 1.00 0.00 C HETATM 1736 ND HEC A 104 0.662 3.847 3.384 1.00 0.00 N HETATM 1737 C1D HEC A 104 0.590 4.683 4.492 1.00 0.00 C HETATM 1738 C2D HEC A 104 1.010 5.961 4.145 1.00 0.00 C HETATM 1739 C3D HEC A 104 1.373 5.944 2.853 1.00 0.00 C HETATM 1740 C4D HEC A 104 1.225 4.570 2.380 1.00 0.00 C HETATM 1741 CMD HEC A 104 1.135 7.208 5.133 1.00 0.00 C HETATM 1742 CAD HEC A 104 2.033 7.120 2.091 1.00 0.00 C HETATM 1743 CBD HEC A 104 1.038 8.174 1.664 1.00 0.00 C HETATM 1744 CGD HEC A 104 1.519 9.608 1.543 1.00 0.00 C HETATM 1745 O1D HEC A 104 1.668 10.066 0.378 1.00 0.00 O HETATM 1746 O2D HEC A 104 1.878 10.128 2.624 1.00 0.00 O HETATM 0 HMD3 HEC A 104 0.160 7.427 5.567 1.00 0.00 H new HETATM 0 HMD2 HEC A 104 1.842 6.972 5.929 1.00 0.00 H new HETATM 0 HMD1 HEC A 104 1.489 8.077 4.579 1.00 0.00 H new HETATM 0 HMC3 HEC A 104 -1.781 -0.310 8.406 1.00 0.00 H new HETATM 0 HMC2 HEC A 104 -0.041 -0.463 8.751 1.00 0.00 H new HETATM 0 HMC1 HEC A 104 -0.996 0.816 9.539 1.00 0.00 H new HETATM 0 HMB3 HEC A 104 -2.544 -2.701 0.968 1.00 0.00 H new HETATM 0 HMB2 HEC A 104 -0.882 -3.273 0.688 1.00 0.00 H new HETATM 0 HMB1 HEC A 104 -1.876 -4.016 1.964 1.00 0.00 H new HETATM 0 HMA3 HEC A 104 0.182 0.763 -2.933 1.00 0.00 H new HETATM 0 HMA2 HEC A 104 1.739 0.089 -2.396 1.00 0.00 H new HETATM 0 HMA1 HEC A 104 0.215 -0.656 -1.859 1.00 0.00 H new HETATM 0 HBD2 HEC A 104 0.632 7.876 0.697 1.00 0.00 H new HETATM 0 HBD1 HEC A 104 0.212 8.159 2.375 1.00 0.00 H new HETATM 0 HBC3 HEC A 104 -0.176 2.225 10.311 1.00 0.00 H new HETATM 0 HBC2 HEC A 104 1.219 3.180 9.754 1.00 0.00 H new HETATM 0 HBC1 HEC A 104 -0.068 3.957 10.708 1.00 0.00 H new HETATM 0 HBB3 HEC A 104 -0.686 -4.912 3.585 1.00 0.00 H new HETATM 0 HBB2 HEC A 104 0.447 -4.292 4.810 1.00 0.00 H new HETATM 0 HBB1 HEC A 104 -0.939 -5.293 5.305 1.00 0.00 H new HETATM 0 HBA2 HEC A 104 0.264 4.511 -2.973 1.00 0.00 H new HETATM 0 HBA1 HEC A 104 0.020 4.534 -1.238 1.00 0.00 H new HETATM 0 HAD2 HEC A 104 2.791 7.579 2.726 1.00 0.00 H new HETATM 0 HAD1 HEC A 104 2.546 6.734 1.210 1.00 0.00 H new HETATM 0 HAA2 HEC A 104 2.739 3.714 -1.604 1.00 0.00 H new HETATM 0 HAA1 HEC A 104 1.816 2.844 -2.813 1.00 0.00 H new HETATM 0 HHD HEC A 104 0.058 5.013 6.432 1.00 0.00 H new HETATM 0 HHC HEC A 104 -0.362 -1.296 6.314 1.00 0.00 H new HETATM 0 HHB HEC A 104 -0.634 -0.957 -0.033 1.00 0.00 H new HETATM 0 HHA HEC A 104 1.819 4.858 0.372 1.00 0.00 H new HETATM 0 HAB HEC A 104 -2.272 -3.189 5.474 1.00 0.00 H new HETATM 0 H2D HEC A 104 1.573 11.059 2.656 1.00 0.00 H new HETATM 0 H2A HEC A 104 2.630 6.212 -3.272 1.00 0.00 H new