USER MOD reduce.3.24.130724 H: found=0, std=0, add=985, rem=0, adj=48 USER MOD reduce.3.24.130724 removed 994 hydrogens (97 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 65 ASNHD21 : A 65 ASN ND2 : A 106 NAG C1 :(H bumps) USER MOD Set 1.1: A 84 SER OG : rot 118:sc= -0.587 USER MOD Set 1.2: A 86 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 72 HIS : no HD1:sc= -0.0496 X(o=-0.05,f=-0.04) USER MOD Set 2.2: A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 60 TYR OH : rot 180:sc= 0.206 USER MOD Set 3.2: A 81 TYR OH : rot -132:sc= -1.85! USER MOD Set 4.1: A 59 THR OG1 : rot 180:sc= 0 USER MOD Set 4.2: A 71 LYS NZ :NH3+ 138:sc= -0.845 (180deg=-2.77!) USER MOD Set 5.1: A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 5.2: A 46 GLN : amide:sc= 0 X(o=0,f=-0.5) USER MOD Single : A 1 LYS N :NH3+ -102:sc= 0.0376 (180deg=0) USER MOD Single : A 1 LYS NZ :NH3+ -152:sc= -0.0689 (180deg=-0.405) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 ASN : amide:sc= -0.92 X(o=-0.92,f=-0.5) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0.028 USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 ASN : amide:sc= -0.42 K(o=-0.42,f=-1.3!) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 MET CE :methyl -128:sc= -7.12! (180deg=-11.2!) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 THR OG1 : rot -135:sc= -5.3! USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 159:sc= -0.183 (180deg=-0.948) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot -160:sc= -0.525 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 THR OG1 : rot 102:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 GLN : amide:sc= -0.384 X(o=-0.38,f=-0.39) USER MOD Single : A 82 LYS NZ :NH3+ 141:sc= -0.13 (180deg=-0.826) USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 ASN : amide:sc= -1.84 K(o=-1.8,f=-0.36) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 LYS NZ :NH3+ -150:sc= -0.055 (180deg=-0.383) USER MOD Single : A 103 GLN : amide:sc= 0 K(o=0,f=-0.74) USER MOD Single : A 106 NAG O3 : rot 180:sc= 0 USER MOD Single : A 106 NAG O6 : rot -127:sc= 0.0511 USER MOD Single : A 107 NAG O3 : rot 180:sc= 0 USER MOD Single : A 107 NAG O6 : rot 180:sc= 0 USER MOD Single : A 108 BMA O2 : rot -27:sc= 0.0151 USER MOD Single : A 108 BMA O4 : rot 170:sc= 0 USER MOD Single : A 109 MAN O3 : rot 26:sc= 0.0365 USER MOD Single : A 109 MAN O4 : rot -148:sc= 0.0807 USER MOD Single : A 109 MAN O6 : rot 180:sc= 0.102 USER MOD Single : A 110 MAN O2 : rot 152:sc= 0.0434 USER MOD Single : A 110 MAN O3 : rot 180:sc= 0.043 USER MOD Single : A 110 MAN O4 : rot 180:sc= 0 USER MOD Single : A 110 MAN O6 : rot 180:sc= 0 USER MOD Single : A 111 MAN O2 : rot 32:sc= 0 USER MOD Single : A 111 MAN O4 : rot 180:sc= 0.581 USER MOD Single : A 112 MAN O2 : rot 148:sc= 0.036 USER MOD Single : A 112 MAN O3 : rot 180:sc= 0.0386 USER MOD Single : A 112 MAN O4 : rot 178:sc= 0 USER MOD Single : A 112 MAN O6 : rot 180:sc= -0.0284 USER MOD Single : A 113 MAN O3 : rot 35:sc= 0.0218 USER MOD Single : A 113 MAN O4 : rot 160:sc= 0 USER MOD Single : A 113 MAN O6 : rot 180:sc= 0 USER MOD Single : A 114 MAN O2 : rot 156:sc= 0.0332 USER MOD Single : A 114 MAN O3 : rot 180:sc= 0.0331 USER MOD Single : A 114 MAN O4 : rot 180:sc= 0 USER MOD Single : A 114 MAN O6 : rot -19:sc= 0.391 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 20.059 6.341 -18.674 1.00 0.00 N ATOM 2 CA LYS A 1 19.356 5.714 -17.558 1.00 0.00 C ATOM 3 C LYS A 1 17.865 5.922 -17.672 1.00 0.00 C ATOM 4 O LYS A 1 17.382 6.907 -18.249 1.00 0.00 O ATOM 5 CB LYS A 1 19.896 6.289 -16.219 1.00 0.00 C ATOM 6 CG LYS A 1 19.558 5.409 -14.990 1.00 0.00 C ATOM 7 CD LYS A 1 19.226 6.185 -13.713 1.00 0.00 C ATOM 8 CE LYS A 1 20.416 6.103 -12.748 1.00 0.00 C ATOM 9 NZ LYS A 1 20.524 4.732 -12.218 1.00 0.00 N ATOM 0 H1 LYS A 1 20.329 5.614 -19.367 1.00 0.00 H new ATOM 0 H2 LYS A 1 19.436 7.038 -19.129 1.00 0.00 H new ATOM 0 H3 LYS A 1 20.913 6.818 -18.322 1.00 0.00 H new ATOM 0 HA LYS A 1 19.538 4.640 -17.583 1.00 0.00 H new ATOM 0 HB2 LYS A 1 20.978 6.400 -16.290 1.00 0.00 H new ATOM 0 HB3 LYS A 1 19.482 7.286 -16.067 1.00 0.00 H new ATOM 0 HG2 LYS A 1 18.711 4.771 -15.241 1.00 0.00 H new ATOM 0 HG3 LYS A 1 20.404 4.752 -14.789 1.00 0.00 H new ATOM 0 HD2 LYS A 1 19.008 7.226 -13.952 1.00 0.00 H new ATOM 0 HD3 LYS A 1 18.333 5.772 -13.244 1.00 0.00 H new ATOM 0 HE2 LYS A 1 21.336 6.379 -13.264 1.00 0.00 H new ATOM 0 HE3 LYS A 1 20.284 6.811 -11.930 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 20.963 4.758 -11.275 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 19.575 4.312 -12.147 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 21.110 4.158 -12.857 1.00 0.00 H new ATOM 25 N GLU A 2 17.107 5.002 -17.104 1.00 0.00 N ATOM 26 CA GLU A 2 15.653 5.125 -17.045 1.00 0.00 C ATOM 27 C GLU A 2 15.187 5.357 -15.627 1.00 0.00 C ATOM 28 O GLU A 2 15.816 4.924 -14.651 1.00 0.00 O ATOM 29 CB GLU A 2 15.025 3.835 -17.642 1.00 0.00 C ATOM 30 CG GLU A 2 13.633 3.971 -18.342 1.00 0.00 C ATOM 31 CD GLU A 2 13.310 3.031 -19.506 1.00 0.00 C ATOM 32 OE1 GLU A 2 14.365 2.804 -20.336 1.00 0.00 O ATOM 33 OE2 GLU A 2 12.204 2.532 -19.672 1.00 0.00 O ATOM 0 H GLU A 2 17.473 4.153 -16.672 1.00 0.00 H new ATOM 0 HA GLU A 2 15.332 5.988 -17.628 1.00 0.00 H new ATOM 0 HB2 GLU A 2 15.727 3.422 -18.366 1.00 0.00 H new ATOM 0 HB3 GLU A 2 14.929 3.104 -16.839 1.00 0.00 H new ATOM 0 HG2 GLU A 2 12.864 3.835 -17.582 1.00 0.00 H new ATOM 0 HG3 GLU A 2 13.543 4.994 -18.706 1.00 0.00 H new ATOM 40 N ILE A 3 14.063 6.036 -15.490 1.00 0.00 N ATOM 41 CA ILE A 3 13.550 6.428 -14.181 1.00 0.00 C ATOM 42 C ILE A 3 12.331 5.615 -13.812 1.00 0.00 C ATOM 43 O ILE A 3 11.538 5.197 -14.669 1.00 0.00 O ATOM 44 CB ILE A 3 13.262 7.983 -14.117 1.00 0.00 C ATOM 45 CG1 ILE A 3 14.396 8.880 -14.708 1.00 0.00 C ATOM 46 CG2 ILE A 3 12.954 8.482 -12.671 1.00 0.00 C ATOM 47 CD1 ILE A 3 14.135 10.400 -14.682 1.00 0.00 C ATOM 0 H ILE A 3 13.481 6.332 -16.273 1.00 0.00 H new ATOM 0 HA ILE A 3 14.321 6.215 -13.440 1.00 0.00 H new ATOM 0 HB ILE A 3 12.380 8.093 -14.748 1.00 0.00 H new ATOM 0 HG12 ILE A 3 15.315 8.679 -14.158 1.00 0.00 H new ATOM 0 HG13 ILE A 3 14.570 8.578 -15.741 1.00 0.00 H new ATOM 0 HG21 ILE A 3 12.765 9.555 -12.689 1.00 0.00 H new ATOM 0 HG22 ILE A 3 12.075 7.965 -12.287 1.00 0.00 H new ATOM 0 HG23 ILE A 3 13.807 8.275 -12.025 1.00 0.00 H new ATOM 0 HD11 ILE A 3 14.987 10.923 -15.116 1.00 0.00 H new ATOM 0 HD12 ILE A 3 13.238 10.625 -15.259 1.00 0.00 H new ATOM 0 HD13 ILE A 3 13.995 10.728 -13.652 1.00 0.00 H new ATOM 59 N THR A 4 12.160 5.374 -12.526 1.00 0.00 N ATOM 60 CA THR A 4 11.050 4.563 -12.032 1.00 0.00 C ATOM 61 C THR A 4 10.356 5.244 -10.877 1.00 0.00 C ATOM 62 O THR A 4 10.950 6.031 -10.125 1.00 0.00 O ATOM 63 CB THR A 4 11.553 3.140 -11.615 1.00 0.00 C ATOM 64 OG1 THR A 4 12.717 3.240 -10.805 1.00 0.00 O ATOM 65 CG2 THR A 4 11.962 2.194 -12.765 1.00 0.00 C ATOM 0 H THR A 4 12.777 5.729 -11.796 1.00 0.00 H new ATOM 0 HA THR A 4 10.326 4.450 -12.839 1.00 0.00 H new ATOM 0 HB THR A 4 10.682 2.721 -11.111 1.00 0.00 H new ATOM 0 HG1 THR A 4 13.017 2.342 -10.552 1.00 0.00 H new ATOM 0 HG21 THR A 4 12.292 1.241 -12.352 1.00 0.00 H new ATOM 0 HG22 THR A 4 11.108 2.029 -13.422 1.00 0.00 H new ATOM 0 HG23 THR A 4 12.775 2.644 -13.334 1.00 0.00 H new ATOM 73 N ASN A 5 9.084 4.936 -10.702 1.00 0.00 N ATOM 74 CA ASN A 5 8.260 5.595 -9.693 1.00 0.00 C ATOM 75 C ASN A 5 7.176 4.671 -9.189 1.00 0.00 C ATOM 76 O ASN A 5 5.996 5.036 -9.092 1.00 0.00 O ATOM 77 CB ASN A 5 7.643 6.892 -10.293 1.00 0.00 C ATOM 78 CG ASN A 5 8.337 7.490 -11.521 1.00 0.00 C ATOM 79 OD1 ASN A 5 7.860 7.413 -12.643 1.00 0.00 O ATOM 80 ND2 ASN A 5 9.468 8.123 -11.358 1.00 0.00 N ATOM 0 H ASN A 5 8.592 4.229 -11.248 1.00 0.00 H new ATOM 0 HA ASN A 5 8.889 5.858 -8.842 1.00 0.00 H new ATOM 0 HB2 ASN A 5 6.607 6.683 -10.558 1.00 0.00 H new ATOM 0 HB3 ASN A 5 7.625 7.651 -9.511 1.00 0.00 H new ATOM 0 HD21 ASN A 5 9.938 8.543 -12.160 1.00 0.00 H new ATOM 0 HD22 ASN A 5 9.881 8.197 -10.429 1.00 0.00 H new ATOM 87 N ALA A 6 7.565 3.459 -8.838 1.00 0.00 N ATOM 88 CA ALA A 6 6.617 2.420 -8.446 1.00 0.00 C ATOM 89 C ALA A 6 7.064 1.730 -7.178 1.00 0.00 C ATOM 90 O ALA A 6 8.182 1.928 -6.680 1.00 0.00 O ATOM 91 CB ALA A 6 6.471 1.452 -9.632 1.00 0.00 C ATOM 0 H ALA A 6 8.541 3.163 -8.815 1.00 0.00 H new ATOM 0 HA ALA A 6 5.642 2.849 -8.216 1.00 0.00 H new ATOM 0 HB1 ALA A 6 5.768 0.661 -9.372 1.00 0.00 H new ATOM 0 HB2 ALA A 6 6.101 1.995 -10.502 1.00 0.00 H new ATOM 0 HB3 ALA A 6 7.441 1.013 -9.865 1.00 0.00 H new ATOM 97 N LEU A 7 6.181 0.920 -6.623 1.00 0.00 N ATOM 98 CA LEU A 7 6.438 0.243 -5.355 1.00 0.00 C ATOM 99 C LEU A 7 6.255 -1.251 -5.492 1.00 0.00 C ATOM 100 O LEU A 7 5.146 -1.767 -5.690 1.00 0.00 O ATOM 101 CB LEU A 7 5.526 0.810 -4.230 1.00 0.00 C ATOM 102 CG LEU A 7 5.504 2.354 -4.036 1.00 0.00 C ATOM 103 CD1 LEU A 7 4.288 2.846 -3.236 1.00 0.00 C ATOM 104 CD2 LEU A 7 6.795 2.815 -3.347 1.00 0.00 C ATOM 0 H LEU A 7 5.270 0.711 -7.031 1.00 0.00 H new ATOM 0 HA LEU A 7 7.475 0.431 -5.078 1.00 0.00 H new ATOM 0 HB2 LEU A 7 4.506 0.481 -4.426 1.00 0.00 H new ATOM 0 HB3 LEU A 7 5.832 0.356 -3.287 1.00 0.00 H new ATOM 0 HG LEU A 7 5.428 2.792 -5.031 1.00 0.00 H new ATOM 0 HD11 LEU A 7 4.333 3.931 -3.136 1.00 0.00 H new ATOM 0 HD12 LEU A 7 3.372 2.567 -3.757 1.00 0.00 H new ATOM 0 HD13 LEU A 7 4.295 2.390 -2.246 1.00 0.00 H new ATOM 0 HD21 LEU A 7 6.771 3.897 -3.215 1.00 0.00 H new ATOM 0 HD22 LEU A 7 6.880 2.333 -2.373 1.00 0.00 H new ATOM 0 HD23 LEU A 7 7.653 2.543 -3.962 1.00 0.00 H new ATOM 116 N GLU A 8 7.357 -1.973 -5.365 1.00 0.00 N ATOM 117 CA GLU A 8 7.348 -3.430 -5.437 1.00 0.00 C ATOM 118 C GLU A 8 6.528 -4.023 -4.315 1.00 0.00 C ATOM 119 O GLU A 8 6.962 -4.097 -3.156 1.00 0.00 O ATOM 120 CB GLU A 8 8.817 -3.934 -5.391 1.00 0.00 C ATOM 121 CG GLU A 8 9.571 -4.078 -6.755 1.00 0.00 C ATOM 122 CD GLU A 8 8.813 -4.667 -7.947 1.00 0.00 C ATOM 123 OE1 GLU A 8 8.321 -5.917 -7.720 1.00 0.00 O ATOM 124 OE2 GLU A 8 8.665 -4.069 -9.004 1.00 0.00 O ATOM 0 H GLU A 8 8.281 -1.570 -5.210 1.00 0.00 H new ATOM 0 HA GLU A 8 6.884 -3.750 -6.370 1.00 0.00 H new ATOM 0 HB2 GLU A 8 9.388 -3.252 -4.761 1.00 0.00 H new ATOM 0 HB3 GLU A 8 8.825 -4.906 -4.897 1.00 0.00 H new ATOM 0 HG2 GLU A 8 9.927 -3.089 -7.044 1.00 0.00 H new ATOM 0 HG3 GLU A 8 10.452 -4.696 -6.584 1.00 0.00 H new ATOM 131 N THR A 9 5.318 -4.438 -4.638 1.00 0.00 N ATOM 132 CA THR A 9 4.405 -5.029 -3.660 1.00 0.00 C ATOM 133 C THR A 9 4.305 -6.525 -3.864 1.00 0.00 C ATOM 134 O THR A 9 3.961 -7.009 -4.952 1.00 0.00 O ATOM 135 CB THR A 9 3.003 -4.334 -3.743 1.00 0.00 C ATOM 136 OG1 THR A 9 2.928 -3.506 -4.897 1.00 0.00 O ATOM 137 CG2 THR A 9 2.635 -3.399 -2.571 1.00 0.00 C ATOM 0 H THR A 9 4.935 -4.378 -5.581 1.00 0.00 H new ATOM 0 HA THR A 9 4.799 -4.864 -2.657 1.00 0.00 H new ATOM 0 HB THR A 9 2.316 -5.181 -3.744 1.00 0.00 H new ATOM 0 HG1 THR A 9 2.047 -3.080 -4.937 1.00 0.00 H new ATOM 0 HG21 THR A 9 1.644 -2.977 -2.739 1.00 0.00 H new ATOM 0 HG22 THR A 9 2.635 -3.966 -1.640 1.00 0.00 H new ATOM 0 HG23 THR A 9 3.366 -2.593 -2.505 1.00 0.00 H new ATOM 145 N TRP A 10 4.624 -7.282 -2.832 1.00 0.00 N ATOM 146 CA TRP A 10 4.728 -8.739 -2.923 1.00 0.00 C ATOM 147 C TRP A 10 3.745 -9.439 -2.013 1.00 0.00 C ATOM 148 O TRP A 10 3.268 -8.884 -1.013 1.00 0.00 O ATOM 149 CB TRP A 10 6.177 -9.157 -2.541 1.00 0.00 C ATOM 150 CG TRP A 10 7.222 -8.908 -3.632 1.00 0.00 C ATOM 151 CD1 TRP A 10 8.107 -7.811 -3.693 1.00 0.00 C ATOM 152 CD2 TRP A 10 7.440 -9.632 -4.785 1.00 0.00 C ATOM 153 NE1 TRP A 10 8.877 -7.830 -4.872 1.00 0.00 N ATOM 154 CE2 TRP A 10 8.445 -8.969 -5.533 1.00 0.00 C ATOM 155 CE3 TRP A 10 6.861 -10.836 -5.263 1.00 0.00 C ATOM 156 CZ2 TRP A 10 8.852 -9.487 -6.782 1.00 0.00 C ATOM 157 CZ3 TRP A 10 7.233 -11.291 -6.529 1.00 0.00 C ATOM 158 CH2 TRP A 10 8.200 -10.616 -7.287 1.00 0.00 C ATOM 0 H TRP A 10 4.820 -6.911 -1.902 1.00 0.00 H new ATOM 0 HA TRP A 10 4.492 -9.035 -3.945 1.00 0.00 H new ATOM 0 HB2 TRP A 10 6.473 -8.615 -1.643 1.00 0.00 H new ATOM 0 HB3 TRP A 10 6.180 -10.217 -2.289 1.00 0.00 H new ATOM 0 HD1 TRP A 10 8.184 -7.051 -2.930 1.00 0.00 H new ATOM 0 HE1 TRP A 10 9.587 -7.161 -5.170 1.00 0.00 H new ATOM 0 HE3 TRP A 10 6.151 -11.386 -4.663 1.00 0.00 H new ATOM 0 HZ2 TRP A 10 9.652 -9.020 -7.337 1.00 0.00 H new ATOM 0 HZ3 TRP A 10 6.768 -12.179 -6.932 1.00 0.00 H new ATOM 0 HH2 TRP A 10 8.445 -10.974 -8.276 1.00 0.00 H new ATOM 169 N GLY A 11 3.436 -10.684 -2.336 1.00 0.00 N ATOM 170 CA GLY A 11 2.607 -11.524 -1.477 1.00 0.00 C ATOM 171 C GLY A 11 2.784 -12.991 -1.790 1.00 0.00 C ATOM 172 O GLY A 11 3.674 -13.404 -2.548 1.00 0.00 O ATOM 0 H GLY A 11 3.748 -11.141 -3.193 1.00 0.00 H new ATOM 0 HA2 GLY A 11 2.863 -11.341 -0.433 1.00 0.00 H new ATOM 0 HA3 GLY A 11 1.560 -11.249 -1.601 1.00 0.00 H new ATOM 176 N ALA A 12 1.942 -13.816 -1.192 1.00 0.00 N ATOM 177 CA ALA A 12 1.885 -15.247 -1.484 1.00 0.00 C ATOM 178 C ALA A 12 0.453 -15.709 -1.614 1.00 0.00 C ATOM 179 O ALA A 12 -0.466 -15.126 -1.002 1.00 0.00 O ATOM 180 CB ALA A 12 2.654 -15.983 -0.373 1.00 0.00 C ATOM 0 H ALA A 12 1.272 -13.514 -0.485 1.00 0.00 H new ATOM 0 HA ALA A 12 2.354 -15.470 -2.442 1.00 0.00 H new ATOM 0 HB1 ALA A 12 2.630 -17.056 -0.563 1.00 0.00 H new ATOM 0 HB2 ALA A 12 3.689 -15.641 -0.358 1.00 0.00 H new ATOM 0 HB3 ALA A 12 2.189 -15.775 0.591 1.00 0.00 H new ATOM 186 N LEU A 13 0.208 -16.764 -2.368 1.00 0.00 N ATOM 187 CA LEU A 13 -1.161 -17.175 -2.689 1.00 0.00 C ATOM 188 C LEU A 13 -1.961 -17.553 -1.459 1.00 0.00 C ATOM 189 O LEU A 13 -1.511 -18.264 -0.552 1.00 0.00 O ATOM 190 CB LEU A 13 -1.170 -18.349 -3.711 1.00 0.00 C ATOM 191 CG LEU A 13 -0.689 -18.105 -5.165 1.00 0.00 C ATOM 192 CD1 LEU A 13 0.832 -18.295 -5.323 1.00 0.00 C ATOM 193 CD2 LEU A 13 -1.424 -19.047 -6.130 1.00 0.00 C ATOM 0 H LEU A 13 0.933 -17.356 -2.773 1.00 0.00 H new ATOM 0 HA LEU A 13 -1.642 -16.306 -3.139 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -0.556 -19.148 -3.295 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -2.191 -18.726 -3.765 1.00 0.00 H new ATOM 0 HG LEU A 13 -0.919 -17.067 -5.405 1.00 0.00 H new ATOM 0 HD11 LEU A 13 1.116 -18.112 -6.359 1.00 0.00 H new ATOM 0 HD12 LEU A 13 1.356 -17.593 -4.674 1.00 0.00 H new ATOM 0 HD13 LEU A 13 1.102 -19.314 -5.047 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -1.078 -18.867 -7.148 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -1.219 -20.082 -5.855 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -2.497 -18.862 -6.073 1.00 0.00 H new ATOM 205 N GLY A 14 -3.195 -17.064 -1.433 1.00 0.00 N ATOM 206 CA GLY A 14 -4.131 -17.362 -0.353 1.00 0.00 C ATOM 207 C GLY A 14 -3.821 -16.477 0.840 1.00 0.00 C ATOM 208 O GLY A 14 -4.025 -16.839 2.006 1.00 0.00 O ATOM 0 H GLY A 14 -3.575 -16.453 -2.156 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -5.155 -17.195 -0.688 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -4.055 -18.412 -0.070 1.00 0.00 H new ATOM 212 N GLN A 15 -3.306 -15.295 0.536 1.00 0.00 N ATOM 213 CA GLN A 15 -2.782 -14.413 1.577 1.00 0.00 C ATOM 214 C GLN A 15 -3.172 -12.970 1.349 1.00 0.00 C ATOM 215 O GLN A 15 -3.264 -12.474 0.218 1.00 0.00 O ATOM 216 CB GLN A 15 -1.245 -14.565 1.619 1.00 0.00 C ATOM 217 CG GLN A 15 -0.437 -13.366 2.216 1.00 0.00 C ATOM 218 CD GLN A 15 1.043 -13.566 2.568 1.00 0.00 C ATOM 219 OE1 GLN A 15 1.392 -14.432 3.354 1.00 0.00 O ATOM 220 NE2 GLN A 15 1.956 -12.819 2.003 1.00 0.00 N ATOM 0 H GLN A 15 -3.238 -14.924 -0.412 1.00 0.00 H new ATOM 0 HA GLN A 15 -3.215 -14.702 2.534 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -1.007 -15.458 2.198 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -0.892 -14.741 0.603 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -0.497 -12.542 1.505 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -0.950 -13.043 3.122 1.00 0.00 H new ATOM 0 HE21 GLN A 15 1.682 -12.090 1.344 1.00 0.00 H new ATOM 0 HE22 GLN A 15 2.941 -12.965 2.222 1.00 0.00 H new ATOM 229 N ASP A 16 -3.385 -12.267 2.449 1.00 0.00 N ATOM 230 CA ASP A 16 -3.857 -10.886 2.415 1.00 0.00 C ATOM 231 C ASP A 16 -2.700 -9.923 2.552 1.00 0.00 C ATOM 232 O ASP A 16 -1.807 -10.082 3.396 1.00 0.00 O ATOM 233 CB ASP A 16 -4.951 -10.676 3.497 1.00 0.00 C ATOM 234 CG ASP A 16 -5.039 -9.285 4.140 1.00 0.00 C ATOM 235 OD1 ASP A 16 -5.664 -8.359 3.646 1.00 0.00 O ATOM 236 OD2 ASP A 16 -4.368 -9.208 5.330 1.00 0.00 O ATOM 0 H ASP A 16 -3.237 -12.633 3.390 1.00 0.00 H new ATOM 0 HA ASP A 16 -4.315 -10.679 1.448 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -5.918 -10.904 3.049 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -4.787 -11.406 4.290 1.00 0.00 H new ATOM 241 N ILE A 17 -2.714 -8.892 1.728 1.00 0.00 N ATOM 242 CA ILE A 17 -1.593 -7.962 1.619 1.00 0.00 C ATOM 243 C ILE A 17 -2.051 -6.530 1.763 1.00 0.00 C ATOM 244 O ILE A 17 -3.227 -6.193 1.561 1.00 0.00 O ATOM 245 CB ILE A 17 -0.796 -8.201 0.269 1.00 0.00 C ATOM 246 CG1 ILE A 17 0.513 -7.363 0.106 1.00 0.00 C ATOM 247 CG2 ILE A 17 -1.678 -7.963 -0.996 1.00 0.00 C ATOM 248 CD1 ILE A 17 0.877 -6.968 -1.342 1.00 0.00 C ATOM 0 H ILE A 17 -3.498 -8.671 1.114 1.00 0.00 H new ATOM 0 HA ILE A 17 -0.906 -8.156 2.443 1.00 0.00 H new ATOM 0 HB ILE A 17 -0.508 -9.249 0.349 1.00 0.00 H new ATOM 0 HG12 ILE A 17 0.417 -6.453 0.698 1.00 0.00 H new ATOM 0 HG13 ILE A 17 1.342 -7.932 0.528 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -1.084 -8.140 -1.892 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -2.526 -8.647 -0.982 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -2.041 -6.935 -0.998 1.00 0.00 H new ATOM 0 HD11 ILE A 17 1.801 -6.390 -1.340 1.00 0.00 H new ATOM 0 HD12 ILE A 17 1.013 -7.868 -1.941 1.00 0.00 H new ATOM 0 HD13 ILE A 17 0.074 -6.367 -1.768 1.00 0.00 H new ATOM 260 N ASN A 18 -1.128 -5.663 2.138 1.00 0.00 N ATOM 261 CA ASN A 18 -1.387 -4.228 2.201 1.00 0.00 C ATOM 262 C ASN A 18 -0.635 -3.476 1.125 1.00 0.00 C ATOM 263 O ASN A 18 0.491 -3.811 0.731 1.00 0.00 O ATOM 264 CB ASN A 18 -0.995 -3.696 3.612 1.00 0.00 C ATOM 265 CG ASN A 18 -0.294 -4.675 4.560 1.00 0.00 C ATOM 266 OD1 ASN A 18 -0.746 -5.783 4.806 1.00 0.00 O ATOM 267 ND2 ASN A 18 0.813 -4.301 5.144 1.00 0.00 N ATOM 0 H ASN A 18 -0.180 -5.928 2.407 1.00 0.00 H new ATOM 0 HA ASN A 18 -2.450 -4.062 2.027 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -0.345 -2.831 3.478 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -1.901 -3.341 4.103 1.00 0.00 H new ATOM 0 HD21 ASN A 18 1.285 -4.930 5.793 1.00 0.00 H new ATOM 0 HD22 ASN A 18 1.205 -3.380 4.951 1.00 0.00 H new ATOM 274 N LEU A 19 -1.253 -2.413 0.640 1.00 0.00 N ATOM 275 CA LEU A 19 -0.630 -1.468 -0.289 1.00 0.00 C ATOM 276 C LEU A 19 -0.166 -0.246 0.472 1.00 0.00 C ATOM 277 O LEU A 19 -0.936 0.693 0.721 1.00 0.00 O ATOM 278 CB LEU A 19 -1.607 -1.089 -1.438 1.00 0.00 C ATOM 279 CG LEU A 19 -1.455 -1.816 -2.802 1.00 0.00 C ATOM 280 CD1 LEU A 19 -0.043 -2.383 -3.033 1.00 0.00 C ATOM 281 CD2 LEU A 19 -2.489 -2.946 -2.914 1.00 0.00 C ATOM 0 H LEU A 19 -2.215 -2.173 0.880 1.00 0.00 H new ATOM 0 HA LEU A 19 0.237 -1.940 -0.752 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -2.623 -1.260 -1.081 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -1.509 -0.019 -1.619 1.00 0.00 H new ATOM 0 HG LEU A 19 -1.627 -1.066 -3.574 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -0.004 -2.878 -4.003 1.00 0.00 H new ATOM 0 HD12 LEU A 19 0.683 -1.571 -3.011 1.00 0.00 H new ATOM 0 HD13 LEU A 19 0.193 -3.102 -2.249 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -2.375 -3.450 -3.874 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -2.334 -3.662 -2.107 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -3.493 -2.529 -2.841 1.00 0.00 H new ATOM 293 N ASP A 20 1.103 -0.224 0.826 1.00 0.00 N ATOM 294 CA ASP A 20 1.642 0.770 1.748 1.00 0.00 C ATOM 295 C ASP A 20 2.266 1.935 1.012 1.00 0.00 C ATOM 296 O ASP A 20 3.231 1.823 0.244 1.00 0.00 O ATOM 297 CB ASP A 20 2.639 0.101 2.730 1.00 0.00 C ATOM 298 CG ASP A 20 2.075 -1.023 3.615 1.00 0.00 C ATOM 299 OD1 ASP A 20 1.504 -0.814 4.675 1.00 0.00 O ATOM 300 OD2 ASP A 20 2.259 -2.266 3.075 1.00 0.00 O ATOM 0 H ASP A 20 1.794 -0.892 0.486 1.00 0.00 H new ATOM 0 HA ASP A 20 0.818 1.181 2.331 1.00 0.00 H new ATOM 0 HB2 ASP A 20 3.469 -0.304 2.151 1.00 0.00 H new ATOM 0 HB3 ASP A 20 3.050 0.874 3.379 1.00 0.00 H new ATOM 305 N ILE A 21 1.694 3.113 1.235 1.00 0.00 N ATOM 306 CA ILE A 21 2.175 4.371 0.677 1.00 0.00 C ATOM 307 C ILE A 21 3.464 4.825 1.324 1.00 0.00 C ATOM 308 O ILE A 21 3.782 4.497 2.476 1.00 0.00 O ATOM 309 CB ILE A 21 1.056 5.494 0.768 1.00 0.00 C ATOM 310 CG1 ILE A 21 1.382 6.834 0.034 1.00 0.00 C ATOM 311 CG2 ILE A 21 0.677 5.836 2.243 1.00 0.00 C ATOM 312 CD1 ILE A 21 2.365 7.776 0.759 1.00 0.00 C ATOM 0 H ILE A 21 0.866 3.222 1.821 1.00 0.00 H new ATOM 0 HA ILE A 21 2.396 4.196 -0.376 1.00 0.00 H new ATOM 0 HB ILE A 21 0.218 5.032 0.246 1.00 0.00 H new ATOM 0 HG12 ILE A 21 1.792 6.598 -0.948 1.00 0.00 H new ATOM 0 HG13 ILE A 21 0.448 7.372 -0.132 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -0.092 6.609 2.251 1.00 0.00 H new ATOM 0 HG22 ILE A 21 0.298 4.942 2.738 1.00 0.00 H new ATOM 0 HG23 ILE A 21 1.560 6.196 2.771 1.00 0.00 H new ATOM 0 HD11 ILE A 21 2.518 8.673 0.160 1.00 0.00 H new ATOM 0 HD12 ILE A 21 1.954 8.054 1.730 1.00 0.00 H new ATOM 0 HD13 ILE A 21 3.319 7.268 0.901 1.00 0.00 H new ATOM 324 N PRO A 22 4.241 5.603 0.585 1.00 0.00 N ATOM 325 CA PRO A 22 5.529 6.304 1.005 1.00 0.00 C ATOM 326 C PRO A 22 5.528 6.982 2.364 1.00 0.00 C ATOM 327 O PRO A 22 4.579 6.941 3.157 1.00 0.00 O ATOM 328 CB PRO A 22 5.770 7.387 -0.047 1.00 0.00 C ATOM 329 CG PRO A 22 5.281 6.661 -1.310 1.00 0.00 C ATOM 330 CD PRO A 22 4.002 5.960 -0.842 1.00 0.00 C ATOM 0 HA PRO A 22 6.294 5.531 1.081 1.00 0.00 H new ATOM 0 HB2 PRO A 22 5.203 8.296 0.155 1.00 0.00 H new ATOM 0 HB3 PRO A 22 6.819 7.675 -0.114 1.00 0.00 H new ATOM 0 HG2 PRO A 22 5.082 7.359 -2.123 1.00 0.00 H new ATOM 0 HG3 PRO A 22 6.020 5.948 -1.675 1.00 0.00 H new ATOM 0 HD2 PRO A 22 3.137 6.615 -0.943 1.00 0.00 H new ATOM 0 HD3 PRO A 22 3.801 5.071 -1.440 1.00 0.00 H new ATOM 338 N SER A 23 6.638 7.665 2.632 1.00 0.00 N ATOM 339 CA SER A 23 6.872 8.305 3.923 1.00 0.00 C ATOM 340 C SER A 23 6.300 9.703 3.999 1.00 0.00 C ATOM 341 O SER A 23 6.814 10.574 4.723 1.00 0.00 O ATOM 342 CB SER A 23 8.388 8.308 4.257 1.00 0.00 C ATOM 343 OG SER A 23 8.782 7.206 5.081 1.00 0.00 O ATOM 0 H SER A 23 7.398 7.790 1.963 1.00 0.00 H new ATOM 0 HA SER A 23 6.342 7.715 4.671 1.00 0.00 H new ATOM 0 HB2 SER A 23 8.959 8.283 3.329 1.00 0.00 H new ATOM 0 HB3 SER A 23 8.641 9.240 4.762 1.00 0.00 H new ATOM 0 HG SER A 23 9.745 7.257 5.258 1.00 0.00 H new ATOM 349 N PHE A 24 5.236 9.956 3.262 1.00 0.00 N ATOM 350 CA PHE A 24 4.479 11.203 3.370 1.00 0.00 C ATOM 351 C PHE A 24 3.076 10.918 3.851 1.00 0.00 C ATOM 352 O PHE A 24 2.326 10.138 3.234 1.00 0.00 O ATOM 353 CB PHE A 24 4.400 11.927 1.992 1.00 0.00 C ATOM 354 CG PHE A 24 3.371 13.064 1.881 1.00 0.00 C ATOM 355 CD1 PHE A 24 3.066 13.862 2.987 1.00 0.00 C ATOM 356 CD2 PHE A 24 2.710 13.286 0.668 1.00 0.00 C ATOM 357 CE1 PHE A 24 2.123 14.880 2.875 1.00 0.00 C ATOM 358 CE2 PHE A 24 1.771 14.306 0.557 1.00 0.00 C ATOM 359 CZ PHE A 24 1.478 15.103 1.661 1.00 0.00 C ATOM 0 H PHE A 24 4.866 9.306 2.568 1.00 0.00 H new ATOM 0 HA PHE A 24 4.994 11.846 4.083 1.00 0.00 H new ATOM 0 HB2 PHE A 24 5.385 12.333 1.761 1.00 0.00 H new ATOM 0 HB3 PHE A 24 4.174 11.184 1.227 1.00 0.00 H new ATOM 0 HD1 PHE A 24 3.563 13.689 3.930 1.00 0.00 H new ATOM 0 HD2 PHE A 24 2.930 12.663 -0.186 1.00 0.00 H new ATOM 0 HE1 PHE A 24 1.891 15.497 3.730 1.00 0.00 H new ATOM 0 HE2 PHE A 24 1.270 14.480 -0.384 1.00 0.00 H new ATOM 0 HZ PHE A 24 0.749 15.895 1.575 1.00 0.00 H new ATOM 369 N GLN A 25 2.677 11.536 4.946 1.00 0.00 N ATOM 370 CA GLN A 25 1.401 11.213 5.586 1.00 0.00 C ATOM 371 C GLN A 25 0.643 12.458 5.985 1.00 0.00 C ATOM 372 O GLN A 25 1.212 13.479 6.396 1.00 0.00 O ATOM 373 CB GLN A 25 1.684 10.323 6.816 1.00 0.00 C ATOM 374 CG GLN A 25 0.441 9.907 7.671 1.00 0.00 C ATOM 375 CD GLN A 25 0.641 9.527 9.143 1.00 0.00 C ATOM 376 OE1 GLN A 25 0.450 10.337 10.036 1.00 0.00 O ATOM 377 NE2 GLN A 25 1.048 8.324 9.458 1.00 0.00 N ATOM 0 H GLN A 25 3.213 12.265 5.417 1.00 0.00 H new ATOM 0 HA GLN A 25 0.770 10.679 4.875 1.00 0.00 H new ATOM 0 HB2 GLN A 25 2.184 9.416 6.475 1.00 0.00 H new ATOM 0 HB3 GLN A 25 2.385 10.848 7.464 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -0.271 10.732 7.639 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -0.031 9.059 7.174 1.00 0.00 H new ATOM 0 HE21 GLN A 25 1.213 7.633 8.726 1.00 0.00 H new ATOM 0 HE22 GLN A 25 1.200 8.077 10.436 1.00 0.00 H new ATOM 386 N MET A 26 -0.672 12.385 5.869 1.00 0.00 N ATOM 387 CA MET A 26 -1.550 13.508 6.184 1.00 0.00 C ATOM 388 C MET A 26 -1.900 13.526 7.654 1.00 0.00 C ATOM 389 O MET A 26 -1.699 12.549 8.389 1.00 0.00 O ATOM 390 CB MET A 26 -2.833 13.437 5.311 1.00 0.00 C ATOM 391 CG MET A 26 -3.470 12.039 5.161 1.00 0.00 C ATOM 392 SD MET A 26 -3.199 11.421 3.491 1.00 0.00 S ATOM 393 CE MET A 26 -4.645 10.358 3.364 1.00 0.00 C ATOM 0 H MET A 26 -1.164 11.549 5.555 1.00 0.00 H new ATOM 0 HA MET A 26 -1.023 14.435 5.959 1.00 0.00 H new ATOM 0 HB2 MET A 26 -3.577 14.110 5.737 1.00 0.00 H new ATOM 0 HB3 MET A 26 -2.594 13.815 4.317 1.00 0.00 H new ATOM 0 HG2 MET A 26 -3.036 11.352 5.888 1.00 0.00 H new ATOM 0 HG3 MET A 26 -4.538 12.092 5.370 1.00 0.00 H new ATOM 0 HE1 MET A 26 -4.337 9.361 3.051 1.00 0.00 H new ATOM 0 HE2 MET A 26 -5.138 10.297 4.334 1.00 0.00 H new ATOM 0 HE3 MET A 26 -5.337 10.771 2.630 1.00 0.00 H new ATOM 403 N SER A 27 -2.450 14.639 8.101 1.00 0.00 N ATOM 404 CA SER A 27 -2.888 14.790 9.488 1.00 0.00 C ATOM 405 C SER A 27 -4.347 15.194 9.538 1.00 0.00 C ATOM 406 O SER A 27 -5.231 14.393 9.159 1.00 0.00 O ATOM 407 CB SER A 27 -1.945 15.763 10.245 1.00 0.00 C ATOM 408 OG SER A 27 -1.700 16.974 9.523 1.00 0.00 O ATOM 0 H SER A 27 -2.608 15.464 7.522 1.00 0.00 H new ATOM 0 HA SER A 27 -2.820 13.833 10.006 1.00 0.00 H new ATOM 0 HB2 SER A 27 -2.382 16.005 11.214 1.00 0.00 H new ATOM 0 HB3 SER A 27 -0.996 15.264 10.440 1.00 0.00 H new ATOM 0 HG SER A 27 -1.103 17.550 10.044 1.00 0.00 H new ATOM 414 N ASP A 28 -4.668 16.384 10.003 1.00 0.00 N ATOM 415 CA ASP A 28 -6.054 16.850 10.061 1.00 0.00 C ATOM 416 C ASP A 28 -6.459 17.569 8.796 1.00 0.00 C ATOM 417 O ASP A 28 -7.413 18.378 8.799 1.00 0.00 O ATOM 418 CB ASP A 28 -6.260 17.740 11.316 1.00 0.00 C ATOM 419 CG ASP A 28 -5.230 18.855 11.545 1.00 0.00 C ATOM 420 OD1 ASP A 28 -4.118 18.650 12.012 1.00 0.00 O ATOM 421 OD2 ASP A 28 -5.680 20.084 11.151 1.00 0.00 O ATOM 0 H ASP A 28 -3.986 17.058 10.351 1.00 0.00 H new ATOM 0 HA ASP A 28 -6.705 15.979 10.143 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -7.248 18.197 11.251 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -6.264 17.095 12.194 1.00 0.00 H new ATOM 426 N ASP A 29 -5.795 17.306 7.688 1.00 0.00 N ATOM 427 CA ASP A 29 -6.025 18.045 6.448 1.00 0.00 C ATOM 428 C ASP A 29 -6.750 17.184 5.430 1.00 0.00 C ATOM 429 O ASP A 29 -7.958 17.302 5.187 1.00 0.00 O ATOM 430 CB ASP A 29 -4.681 18.592 5.897 1.00 0.00 C ATOM 431 CG ASP A 29 -3.996 19.692 6.720 1.00 0.00 C ATOM 432 OD1 ASP A 29 -4.255 19.905 7.896 1.00 0.00 O ATOM 433 OD2 ASP A 29 -3.070 20.394 6.000 1.00 0.00 O ATOM 0 H ASP A 29 -5.083 16.579 7.615 1.00 0.00 H new ATOM 0 HA ASP A 29 -6.671 18.898 6.658 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -3.987 17.757 5.801 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -4.857 18.978 4.893 1.00 0.00 H new ATOM 438 N ILE A 30 -5.981 16.310 4.801 1.00 0.00 N ATOM 439 CA ILE A 30 -6.458 15.472 3.706 1.00 0.00 C ATOM 440 C ILE A 30 -7.758 14.782 4.055 1.00 0.00 C ATOM 441 O ILE A 30 -8.000 14.393 5.207 1.00 0.00 O ATOM 442 CB ILE A 30 -5.349 14.434 3.258 1.00 0.00 C ATOM 443 CG1 ILE A 30 -4.175 15.050 2.431 1.00 0.00 C ATOM 444 CG2 ILE A 30 -5.935 13.235 2.449 1.00 0.00 C ATOM 445 CD1 ILE A 30 -3.490 16.285 3.051 1.00 0.00 C ATOM 0 H ILE A 30 -5.000 16.159 5.036 1.00 0.00 H new ATOM 0 HA ILE A 30 -6.662 16.125 2.857 1.00 0.00 H new ATOM 0 HB ILE A 30 -4.946 14.084 4.208 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -3.420 14.279 2.278 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -4.554 15.325 1.447 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -5.129 12.557 2.169 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -6.661 12.702 3.063 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -6.425 13.608 1.549 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -2.692 16.627 2.392 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -4.223 17.082 3.178 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -3.071 16.020 4.022 1.00 0.00 H new ATOM 457 N ASP A 31 -8.621 14.640 3.065 1.00 0.00 N ATOM 458 CA ASP A 31 -9.969 14.117 3.272 1.00 0.00 C ATOM 459 C ASP A 31 -10.263 12.920 2.396 1.00 0.00 C ATOM 460 O ASP A 31 -11.017 12.007 2.802 1.00 0.00 O ATOM 461 CB ASP A 31 -11.011 15.249 3.053 1.00 0.00 C ATOM 462 CG ASP A 31 -12.156 15.344 4.070 1.00 0.00 C ATOM 463 OD1 ASP A 31 -12.012 15.795 5.198 1.00 0.00 O ATOM 464 OD2 ASP A 31 -13.347 14.896 3.571 1.00 0.00 O ATOM 0 H ASP A 31 -8.413 14.882 2.096 1.00 0.00 H new ATOM 0 HA ASP A 31 -10.038 13.765 4.301 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -10.481 16.202 3.048 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -11.447 15.122 2.062 1.00 0.00 H new ATOM 469 N ASP A 32 -9.691 12.852 1.210 1.00 0.00 N ATOM 470 CA ASP A 32 -10.038 11.817 0.231 1.00 0.00 C ATOM 471 C ASP A 32 -8.900 10.841 0.040 1.00 0.00 C ATOM 472 O ASP A 32 -7.712 11.192 0.070 1.00 0.00 O ATOM 473 CB ASP A 32 -10.485 12.486 -1.095 1.00 0.00 C ATOM 474 CG ASP A 32 -10.244 11.761 -2.425 1.00 0.00 C ATOM 475 OD1 ASP A 32 -9.898 10.594 -2.529 1.00 0.00 O ATOM 476 OD2 ASP A 32 -10.492 12.571 -3.508 1.00 0.00 O ATOM 0 H ASP A 32 -8.975 13.505 0.890 1.00 0.00 H new ATOM 0 HA ASP A 32 -10.876 11.230 0.606 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -11.555 12.681 -1.018 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -9.988 13.454 -1.156 1.00 0.00 H new ATOM 481 N ILE A 33 -9.253 9.578 -0.140 1.00 0.00 N ATOM 482 CA ILE A 33 -8.285 8.489 -0.227 1.00 0.00 C ATOM 483 C ILE A 33 -8.681 7.496 -1.294 1.00 0.00 C ATOM 484 O ILE A 33 -9.585 6.663 -1.092 1.00 0.00 O ATOM 485 CB ILE A 33 -8.084 7.787 1.178 1.00 0.00 C ATOM 486 CG1 ILE A 33 -7.630 8.739 2.331 1.00 0.00 C ATOM 487 CG2 ILE A 33 -7.086 6.589 1.119 1.00 0.00 C ATOM 488 CD1 ILE A 33 -7.972 8.274 3.762 1.00 0.00 C ATOM 0 H ILE A 33 -10.223 9.275 -0.231 1.00 0.00 H new ATOM 0 HA ILE A 33 -7.325 8.916 -0.516 1.00 0.00 H new ATOM 0 HB ILE A 33 -9.087 7.431 1.412 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -6.551 8.873 2.262 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -8.084 9.717 2.169 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -6.988 6.148 2.111 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -7.460 5.838 0.423 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -6.112 6.943 0.782 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -7.610 9.010 4.480 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -9.052 8.170 3.862 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -7.495 7.313 3.956 1.00 0.00 H new ATOM 500 N LYS A 34 -8.017 7.527 -2.434 1.00 0.00 N ATOM 501 CA LYS A 34 -8.417 6.715 -3.582 1.00 0.00 C ATOM 502 C LYS A 34 -7.425 5.608 -3.875 1.00 0.00 C ATOM 503 O LYS A 34 -6.222 5.682 -3.591 1.00 0.00 O ATOM 504 CB LYS A 34 -8.591 7.634 -4.823 1.00 0.00 C ATOM 505 CG LYS A 34 -9.767 7.210 -5.739 1.00 0.00 C ATOM 506 CD LYS A 34 -9.565 7.499 -7.229 1.00 0.00 C ATOM 507 CE LYS A 34 -9.308 6.181 -7.972 1.00 0.00 C ATOM 508 NZ LYS A 34 -10.596 5.553 -8.318 1.00 0.00 N ATOM 0 H LYS A 34 -7.194 8.107 -2.596 1.00 0.00 H new ATOM 0 HA LYS A 34 -9.364 6.232 -3.342 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -8.752 8.659 -4.488 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -7.668 7.629 -5.403 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -9.939 6.141 -5.612 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -10.670 7.720 -5.405 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -10.446 7.994 -7.638 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -8.724 8.178 -7.369 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -8.728 6.368 -8.876 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -8.719 5.508 -7.348 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -10.423 4.660 -8.822 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -11.134 5.362 -7.449 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -11.142 6.194 -8.928 1.00 0.00 H new ATOM 522 N TRP A 35 -7.931 4.550 -4.488 1.00 0.00 N ATOM 523 CA TRP A 35 -7.129 3.423 -4.952 1.00 0.00 C ATOM 524 C TRP A 35 -7.829 2.709 -6.089 1.00 0.00 C ATOM 525 O TRP A 35 -9.035 2.409 -6.004 1.00 0.00 O ATOM 526 CB TRP A 35 -6.911 2.434 -3.775 1.00 0.00 C ATOM 527 CG TRP A 35 -5.720 2.709 -2.853 1.00 0.00 C ATOM 528 CD1 TRP A 35 -5.782 3.401 -1.623 1.00 0.00 C ATOM 529 CD2 TRP A 35 -4.419 2.267 -2.975 1.00 0.00 C ATOM 530 NE1 TRP A 35 -4.537 3.394 -0.964 1.00 0.00 N ATOM 531 CE2 TRP A 35 -3.709 2.684 -1.820 1.00 0.00 C ATOM 532 CE3 TRP A 35 -3.771 1.510 -3.987 1.00 0.00 C ATOM 533 CZ2 TRP A 35 -2.348 2.341 -1.660 1.00 0.00 C ATOM 534 CZ3 TRP A 35 -2.427 1.177 -3.802 1.00 0.00 C ATOM 535 CH2 TRP A 35 -1.713 1.626 -2.680 1.00 0.00 C ATOM 0 H TRP A 35 -8.927 4.446 -4.682 1.00 0.00 H new ATOM 0 HA TRP A 35 -6.168 3.793 -5.310 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -7.816 2.425 -3.167 1.00 0.00 H new ATOM 0 HB3 TRP A 35 -6.795 1.433 -4.190 1.00 0.00 H new ATOM 0 HD1 TRP A 35 -6.672 3.876 -1.237 1.00 0.00 H new ATOM 0 HE1 TRP A 35 -4.300 3.814 -0.065 1.00 0.00 H new ATOM 0 HE3 TRP A 35 -4.302 1.200 -4.875 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 -1.809 2.625 -0.768 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 -1.928 0.562 -4.536 1.00 0.00 H new ATOM 0 HH2 TRP A 35 -0.656 1.416 -2.603 1.00 0.00 H new ATOM 546 N GLU A 36 -7.128 2.440 -7.174 1.00 0.00 N ATOM 547 CA GLU A 36 -7.706 1.761 -8.335 1.00 0.00 C ATOM 548 C GLU A 36 -6.915 0.525 -8.691 1.00 0.00 C ATOM 549 O GLU A 36 -5.797 0.313 -8.159 1.00 0.00 O ATOM 550 CB GLU A 36 -7.742 2.768 -9.518 1.00 0.00 C ATOM 551 CG GLU A 36 -8.868 2.591 -10.589 1.00 0.00 C ATOM 552 CD GLU A 36 -9.178 3.768 -11.518 1.00 0.00 C ATOM 553 OE1 GLU A 36 -8.758 4.900 -11.319 1.00 0.00 O ATOM 554 OE2 GLU A 36 -9.960 3.436 -12.582 1.00 0.00 O ATOM 0 H GLU A 36 -6.143 2.682 -7.283 1.00 0.00 H new ATOM 0 HA GLU A 36 -8.718 1.429 -8.104 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -7.830 3.772 -9.102 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -6.781 2.718 -10.030 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -8.603 1.737 -11.212 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -9.787 2.330 -10.065 1.00 0.00 H new ATOM 561 N LYS A 37 -7.414 -0.296 -9.595 1.00 0.00 N ATOM 562 CA LYS A 37 -6.646 -1.464 -10.063 1.00 0.00 C ATOM 563 C LYS A 37 -6.122 -1.177 -11.454 1.00 0.00 C ATOM 564 O LYS A 37 -6.734 -1.543 -12.464 1.00 0.00 O ATOM 565 CB LYS A 37 -7.508 -2.754 -10.021 1.00 0.00 C ATOM 566 CG LYS A 37 -8.862 -2.674 -10.768 1.00 0.00 C ATOM 567 CD LYS A 37 -9.792 -3.874 -10.551 1.00 0.00 C ATOM 568 CE LYS A 37 -9.003 -5.170 -10.777 1.00 0.00 C ATOM 569 NZ LYS A 37 -9.818 -6.321 -10.349 1.00 0.00 N ATOM 0 H LYS A 37 -8.334 -0.190 -10.023 1.00 0.00 H new ATOM 0 HA LYS A 37 -5.800 -1.639 -9.398 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -6.927 -3.573 -10.445 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -7.702 -3.007 -8.979 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -9.381 -1.769 -10.453 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -8.666 -2.573 -11.835 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -10.201 -3.854 -9.541 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -10.637 -3.824 -11.238 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -8.739 -5.269 -11.830 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -8.069 -5.143 -10.215 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -9.284 -7.200 -10.502 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -10.049 -6.227 -9.339 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -10.697 -6.349 -10.904 1.00 0.00 H new ATOM 583 N THR A 38 -4.983 -0.516 -11.510 1.00 0.00 N ATOM 584 CA THR A 38 -4.427 0.057 -12.734 1.00 0.00 C ATOM 585 C THR A 38 -4.626 -0.804 -13.962 1.00 0.00 C ATOM 586 O THR A 38 -4.847 -0.271 -15.075 1.00 0.00 O ATOM 587 CB THR A 38 -2.904 0.377 -12.541 1.00 0.00 C ATOM 588 OG1 THR A 38 -2.298 -0.572 -11.676 1.00 0.00 O ATOM 589 CG2 THR A 38 -2.570 1.745 -11.906 1.00 0.00 C ATOM 0 H THR A 38 -4.399 -0.355 -10.689 1.00 0.00 H new ATOM 0 HA THR A 38 -4.984 0.976 -12.915 1.00 0.00 H new ATOM 0 HB THR A 38 -2.530 0.362 -13.565 1.00 0.00 H new ATOM 0 HG1 THR A 38 -1.729 -0.107 -11.028 1.00 0.00 H new ATOM 0 HG21 THR A 38 -1.489 1.853 -11.823 1.00 0.00 H new ATOM 0 HG22 THR A 38 -2.968 2.544 -12.532 1.00 0.00 H new ATOM 0 HG23 THR A 38 -3.018 1.805 -10.914 1.00 0.00 H new ATOM 597 N SER A 39 -4.539 -2.114 -13.842 1.00 0.00 N ATOM 598 CA SER A 39 -4.810 -3.011 -14.966 1.00 0.00 C ATOM 599 C SER A 39 -6.120 -2.672 -15.639 1.00 0.00 C ATOM 600 O SER A 39 -6.159 -2.218 -16.796 1.00 0.00 O ATOM 601 CB SER A 39 -4.772 -4.492 -14.514 1.00 0.00 C ATOM 602 OG SER A 39 -5.239 -5.393 -15.525 1.00 0.00 O ATOM 0 H SER A 39 -4.282 -2.590 -12.977 1.00 0.00 H new ATOM 0 HA SER A 39 -4.021 -2.868 -15.704 1.00 0.00 H new ATOM 0 HB2 SER A 39 -3.751 -4.758 -14.241 1.00 0.00 H new ATOM 0 HB3 SER A 39 -5.383 -4.610 -13.619 1.00 0.00 H new ATOM 0 HG SER A 39 -5.193 -6.313 -15.190 1.00 0.00 H new ATOM 608 N ASP A 40 -7.221 -2.901 -14.948 1.00 0.00 N ATOM 609 CA ASP A 40 -8.550 -2.744 -15.536 1.00 0.00 C ATOM 610 C ASP A 40 -9.136 -1.367 -15.308 1.00 0.00 C ATOM 611 O ASP A 40 -10.296 -1.107 -15.717 1.00 0.00 O ATOM 612 CB ASP A 40 -9.495 -3.855 -14.999 1.00 0.00 C ATOM 613 CG ASP A 40 -9.460 -5.205 -15.729 1.00 0.00 C ATOM 614 OD1 ASP A 40 -9.353 -5.073 -17.085 1.00 0.00 O ATOM 615 OD2 ASP A 40 -9.544 -6.278 -15.149 1.00 0.00 O ATOM 0 H ASP A 40 -7.227 -3.198 -13.972 1.00 0.00 H new ATOM 0 HA ASP A 40 -8.447 -2.849 -16.616 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -9.253 -4.029 -13.951 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -10.517 -3.477 -15.032 1.00 0.00 H new ATOM 620 N LYS A 41 -8.417 -0.446 -14.697 1.00 0.00 N ATOM 621 CA LYS A 41 -8.957 0.883 -14.394 1.00 0.00 C ATOM 622 C LYS A 41 -10.243 0.763 -13.614 1.00 0.00 C ATOM 623 O LYS A 41 -11.319 1.193 -14.057 1.00 0.00 O ATOM 624 CB LYS A 41 -9.174 1.658 -15.722 1.00 0.00 C ATOM 625 CG LYS A 41 -9.539 3.150 -15.522 1.00 0.00 C ATOM 626 CD LYS A 41 -10.689 3.654 -16.399 1.00 0.00 C ATOM 627 CE LYS A 41 -10.547 3.074 -17.812 1.00 0.00 C ATOM 628 NZ LYS A 41 -11.778 3.341 -18.577 1.00 0.00 N ATOM 0 H LYS A 41 -7.453 -0.586 -14.396 1.00 0.00 H new ATOM 0 HA LYS A 41 -8.249 1.435 -13.776 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -8.267 1.593 -16.322 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -9.968 1.172 -16.290 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -9.802 3.308 -14.476 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -8.655 3.756 -15.723 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -11.646 3.359 -15.968 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -10.680 4.743 -16.439 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -9.689 3.520 -18.315 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -10.364 2.001 -17.760 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -11.683 2.948 -19.535 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -12.587 2.896 -18.099 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -11.933 4.368 -18.637 1.00 0.00 H new ATOM 642 N LYS A 42 -10.158 0.178 -12.427 1.00 0.00 N ATOM 643 CA LYS A 42 -11.355 -0.144 -11.647 1.00 0.00 C ATOM 644 C LYS A 42 -11.299 0.336 -10.212 1.00 0.00 C ATOM 645 O LYS A 42 -10.444 -0.036 -9.400 1.00 0.00 O ATOM 646 CB LYS A 42 -11.586 -1.683 -11.691 1.00 0.00 C ATOM 647 CG LYS A 42 -13.085 -2.073 -11.617 1.00 0.00 C ATOM 648 CD LYS A 42 -13.701 -2.532 -12.941 1.00 0.00 C ATOM 649 CE LYS A 42 -15.149 -2.977 -12.699 1.00 0.00 C ATOM 650 NZ LYS A 42 -15.875 -1.919 -11.974 1.00 0.00 N ATOM 0 H LYS A 42 -9.279 -0.084 -11.981 1.00 0.00 H new ATOM 0 HA LYS A 42 -12.189 0.389 -12.104 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -11.157 -2.083 -12.610 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -11.054 -2.149 -10.862 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -13.201 -2.871 -10.884 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -13.650 -1.217 -11.249 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -13.675 -1.721 -13.668 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -13.121 -3.354 -13.360 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -15.641 -3.184 -13.650 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -15.165 -3.903 -12.124 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -16.898 -2.040 -12.116 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -15.656 -1.981 -10.959 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -15.584 -0.988 -12.335 1.00 0.00 H new ATOM 664 N LYS A 43 -12.274 1.168 -9.851 1.00 0.00 N ATOM 665 CA LYS A 43 -12.485 1.628 -8.485 1.00 0.00 C ATOM 666 C LYS A 43 -12.327 0.499 -7.487 1.00 0.00 C ATOM 667 O LYS A 43 -13.242 -0.288 -7.211 1.00 0.00 O ATOM 668 CB LYS A 43 -13.896 2.269 -8.366 1.00 0.00 C ATOM 669 CG LYS A 43 -14.207 3.353 -9.428 1.00 0.00 C ATOM 670 CD LYS A 43 -15.658 3.369 -9.922 1.00 0.00 C ATOM 671 CE LYS A 43 -15.854 4.534 -10.901 1.00 0.00 C ATOM 672 NZ LYS A 43 -17.296 4.751 -11.120 1.00 0.00 N ATOM 0 H LYS A 43 -12.950 1.547 -10.514 1.00 0.00 H new ATOM 0 HA LYS A 43 -11.726 2.375 -8.252 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -14.645 1.481 -8.441 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -13.997 2.711 -7.375 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -13.969 4.331 -9.009 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -13.548 3.204 -10.283 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -15.897 2.425 -10.412 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -16.339 3.471 -9.078 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -15.395 5.439 -10.503 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -15.360 4.315 -11.848 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -17.431 5.540 -11.783 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -17.721 3.888 -11.517 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -17.754 4.977 -10.214 1.00 0.00 H new ATOM 686 N ILE A 44 -11.142 0.422 -6.907 1.00 0.00 N ATOM 687 CA ILE A 44 -10.808 -0.557 -5.880 1.00 0.00 C ATOM 688 C ILE A 44 -11.279 -0.094 -4.520 1.00 0.00 C ATOM 689 O ILE A 44 -11.791 -0.855 -3.687 1.00 0.00 O ATOM 690 CB ILE A 44 -9.252 -0.864 -5.871 1.00 0.00 C ATOM 691 CG1 ILE A 44 -8.784 -2.008 -6.829 1.00 0.00 C ATOM 692 CG2 ILE A 44 -8.715 -1.188 -4.442 1.00 0.00 C ATOM 693 CD1 ILE A 44 -7.272 -2.052 -7.134 1.00 0.00 C ATOM 0 H ILE A 44 -10.370 1.047 -7.138 1.00 0.00 H new ATOM 0 HA ILE A 44 -11.329 -1.485 -6.117 1.00 0.00 H new ATOM 0 HB ILE A 44 -8.829 0.069 -6.243 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -9.075 -2.963 -6.393 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -9.323 -1.910 -7.771 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -7.645 -1.390 -4.493 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -8.893 -0.337 -3.785 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -9.232 -2.064 -4.049 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -7.061 -2.883 -7.807 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -6.969 -1.117 -7.605 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -6.717 -2.187 -6.205 1.00 0.00 H new ATOM 705 N ALA A 45 -11.086 1.191 -4.268 1.00 0.00 N ATOM 706 CA ALA A 45 -11.324 1.789 -2.958 1.00 0.00 C ATOM 707 C ALA A 45 -11.221 3.298 -3.041 1.00 0.00 C ATOM 708 O ALA A 45 -10.257 3.826 -3.642 1.00 0.00 O ATOM 709 CB ALA A 45 -10.311 1.160 -1.981 1.00 0.00 C ATOM 0 H ALA A 45 -10.758 1.855 -4.969 1.00 0.00 H new ATOM 0 HA ALA A 45 -12.332 1.586 -2.596 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -10.455 1.581 -0.986 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -10.463 0.081 -1.944 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -9.297 1.372 -2.321 1.00 0.00 H new ATOM 715 N GLN A 46 -12.148 4.029 -2.452 1.00 0.00 N ATOM 716 CA GLN A 46 -12.172 5.486 -2.610 1.00 0.00 C ATOM 717 C GLN A 46 -12.959 6.168 -1.516 1.00 0.00 C ATOM 718 O GLN A 46 -14.008 5.698 -1.052 1.00 0.00 O ATOM 719 CB GLN A 46 -12.767 5.814 -3.998 1.00 0.00 C ATOM 720 CG GLN A 46 -13.101 7.318 -4.269 1.00 0.00 C ATOM 721 CD GLN A 46 -13.957 7.686 -5.488 1.00 0.00 C ATOM 722 OE1 GLN A 46 -14.900 8.454 -5.388 1.00 0.00 O ATOM 723 NE2 GLN A 46 -13.696 7.154 -6.654 1.00 0.00 N ATOM 0 H GLN A 46 -12.891 3.651 -1.864 1.00 0.00 H new ATOM 0 HA GLN A 46 -11.153 5.864 -2.534 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -12.065 5.476 -4.760 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -13.680 5.232 -4.126 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -13.605 7.707 -3.384 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -12.156 7.853 -4.358 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -12.912 6.510 -6.757 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -14.277 7.383 -7.461 1.00 0.00 H new ATOM 732 N PHE A 47 -12.466 7.321 -1.094 1.00 0.00 N ATOM 733 CA PHE A 47 -13.161 8.186 -0.147 1.00 0.00 C ATOM 734 C PHE A 47 -13.289 9.588 -0.698 1.00 0.00 C ATOM 735 O PHE A 47 -12.287 10.299 -0.897 1.00 0.00 O ATOM 736 CB PHE A 47 -12.373 8.249 1.198 1.00 0.00 C ATOM 737 CG PHE A 47 -12.995 7.528 2.405 1.00 0.00 C ATOM 738 CD1 PHE A 47 -14.346 7.165 2.383 1.00 0.00 C ATOM 739 CD2 PHE A 47 -12.231 7.269 3.547 1.00 0.00 C ATOM 740 CE1 PHE A 47 -14.915 6.512 3.471 1.00 0.00 C ATOM 741 CE2 PHE A 47 -12.805 6.624 4.639 1.00 0.00 C ATOM 742 CZ PHE A 47 -14.142 6.234 4.596 1.00 0.00 C ATOM 0 H PHE A 47 -11.565 7.688 -1.400 1.00 0.00 H new ATOM 0 HA PHE A 47 -14.155 7.771 0.021 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -11.380 7.832 1.029 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -12.238 9.298 1.463 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -14.950 7.393 1.517 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -11.194 7.570 3.582 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -15.955 6.221 3.444 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -12.213 6.426 5.520 1.00 0.00 H new ATOM 0 HZ PHE A 47 -14.580 5.715 5.436 1.00 0.00 H new ATOM 752 N ARG A 48 -14.506 10.022 -0.963 1.00 0.00 N ATOM 753 CA ARG A 48 -14.740 11.323 -1.586 1.00 0.00 C ATOM 754 C ARG A 48 -16.060 11.909 -1.143 1.00 0.00 C ATOM 755 O ARG A 48 -17.138 11.530 -1.623 1.00 0.00 O ATOM 756 CB ARG A 48 -14.682 11.168 -3.130 1.00 0.00 C ATOM 757 CG ARG A 48 -14.903 12.481 -3.927 1.00 0.00 C ATOM 758 CD ARG A 48 -16.238 12.496 -4.683 1.00 0.00 C ATOM 759 NE ARG A 48 -16.596 13.908 -4.972 1.00 0.00 N ATOM 760 CZ ARG A 48 -17.822 14.412 -4.952 1.00 0.00 C ATOM 761 NH1 ARG A 48 -18.897 13.720 -4.712 1.00 0.00 N ATOM 762 NH2 ARG A 48 -17.951 15.670 -5.188 1.00 0.00 N ATOM 0 H ARG A 48 -15.355 9.495 -0.758 1.00 0.00 H new ATOM 0 HA ARG A 48 -13.961 12.017 -1.270 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -13.712 10.753 -3.403 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -15.436 10.443 -3.436 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -14.869 13.328 -3.241 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -14.086 12.612 -4.637 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -16.156 11.928 -5.610 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -17.017 12.021 -4.087 1.00 0.00 H new ATOM 0 HE ARG A 48 -15.834 14.544 -5.206 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -18.828 12.720 -4.522 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -19.809 14.177 -4.713 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -17.127 16.240 -5.381 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -18.877 16.098 -5.182 1.00 0.00 H new ATOM 776 N LYS A 49 -15.993 12.848 -0.217 1.00 0.00 N ATOM 777 CA LYS A 49 -17.191 13.458 0.354 1.00 0.00 C ATOM 778 C LYS A 49 -17.949 12.460 1.197 1.00 0.00 C ATOM 779 O LYS A 49 -17.971 11.251 0.925 1.00 0.00 O ATOM 780 CB LYS A 49 -18.081 14.019 -0.788 1.00 0.00 C ATOM 781 CG LYS A 49 -18.900 15.268 -0.377 1.00 0.00 C ATOM 782 CD LYS A 49 -18.078 16.402 0.242 1.00 0.00 C ATOM 783 CE LYS A 49 -18.869 17.713 0.139 1.00 0.00 C ATOM 784 NZ LYS A 49 -18.004 18.763 -0.429 1.00 0.00 N ATOM 0 H LYS A 49 -15.118 13.210 0.161 1.00 0.00 H new ATOM 0 HA LYS A 49 -16.899 14.281 1.006 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -17.449 14.273 -1.639 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -18.766 13.239 -1.121 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -19.417 15.652 -1.257 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -19.667 14.964 0.335 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -17.856 16.178 1.285 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -17.123 16.498 -0.274 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -19.748 17.572 -0.489 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -19.226 18.014 1.124 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -18.538 19.652 -0.500 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -17.178 18.903 0.187 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -17.685 18.475 -1.376 1.00 0.00 H new ATOM 798 N GLU A 50 -18.590 12.954 2.241 1.00 0.00 N ATOM 799 CA GLU A 50 -19.414 12.120 3.110 1.00 0.00 C ATOM 800 C GLU A 50 -20.848 12.064 2.638 1.00 0.00 C ATOM 801 O GLU A 50 -21.791 11.998 3.456 1.00 0.00 O ATOM 802 CB GLU A 50 -19.324 12.683 4.557 1.00 0.00 C ATOM 803 CG GLU A 50 -17.960 13.311 4.996 1.00 0.00 C ATOM 804 CD GLU A 50 -17.656 13.415 6.493 1.00 0.00 C ATOM 805 OE1 GLU A 50 -18.041 14.346 7.187 1.00 0.00 O ATOM 806 OE2 GLU A 50 -16.920 12.376 6.976 1.00 0.00 O ATOM 0 H GLU A 50 -18.557 13.937 2.513 1.00 0.00 H new ATOM 0 HA GLU A 50 -19.041 11.096 3.084 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -20.098 13.442 4.673 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -19.563 11.875 5.249 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -17.162 12.729 4.535 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -17.906 14.315 4.575 1.00 0.00 H new ATOM 813 N LYS A 51 -21.075 12.092 1.340 1.00 0.00 N ATOM 814 CA LYS A 51 -22.410 11.893 0.749 1.00 0.00 C ATOM 815 C LYS A 51 -22.548 10.605 -0.063 1.00 0.00 C ATOM 816 O LYS A 51 -23.634 10.204 -0.492 1.00 0.00 O ATOM 817 CB LYS A 51 -22.716 13.104 -0.173 1.00 0.00 C ATOM 818 CG LYS A 51 -24.162 13.640 -0.049 1.00 0.00 C ATOM 819 CD LYS A 51 -24.520 14.773 -1.016 1.00 0.00 C ATOM 820 CE LYS A 51 -23.234 15.449 -1.508 1.00 0.00 C ATOM 821 NZ LYS A 51 -23.579 16.672 -2.254 1.00 0.00 N ATOM 0 H LYS A 51 -20.342 12.254 0.649 1.00 0.00 H new ATOM 0 HA LYS A 51 -23.116 11.810 1.575 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -22.020 13.910 0.060 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -22.534 12.815 -1.208 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -24.854 12.814 -0.210 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -24.317 13.991 0.971 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -25.083 14.379 -1.862 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -25.160 15.502 -0.518 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -22.592 15.695 -0.662 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -22.672 14.767 -2.146 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -22.708 17.132 -2.588 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -24.175 16.425 -3.069 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -24.097 17.324 -1.631 1.00 0.00 H new ATOM 835 N GLU A 52 -21.415 9.951 -0.237 1.00 0.00 N ATOM 836 CA GLU A 52 -21.326 8.681 -0.947 1.00 0.00 C ATOM 837 C GLU A 52 -19.882 8.285 -1.156 1.00 0.00 C ATOM 838 O GLU A 52 -19.052 9.079 -1.627 1.00 0.00 O ATOM 839 CB GLU A 52 -22.072 8.809 -2.305 1.00 0.00 C ATOM 840 CG GLU A 52 -21.228 8.633 -3.610 1.00 0.00 C ATOM 841 CD GLU A 52 -20.532 9.863 -4.197 1.00 0.00 C ATOM 842 OE1 GLU A 52 -20.625 10.979 -3.704 1.00 0.00 O ATOM 843 OE2 GLU A 52 -19.802 9.598 -5.316 1.00 0.00 O ATOM 0 H GLU A 52 -20.518 10.287 0.113 1.00 0.00 H new ATOM 0 HA GLU A 52 -21.795 7.897 -0.352 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -22.873 8.070 -2.320 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -22.544 9.791 -2.339 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -20.464 7.882 -3.412 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -21.885 8.225 -4.378 1.00 0.00 H new ATOM 850 N THR A 53 -19.544 7.061 -0.792 1.00 0.00 N ATOM 851 CA THR A 53 -18.169 6.579 -0.894 1.00 0.00 C ATOM 852 C THR A 53 -18.133 5.100 -1.197 1.00 0.00 C ATOM 853 O THR A 53 -19.161 4.408 -1.219 1.00 0.00 O ATOM 854 CB THR A 53 -17.376 6.892 0.420 1.00 0.00 C ATOM 855 OG1 THR A 53 -17.943 6.195 1.522 1.00 0.00 O ATOM 856 CG2 THR A 53 -17.351 8.369 0.869 1.00 0.00 C ATOM 0 H THR A 53 -20.203 6.376 -0.421 1.00 0.00 H new ATOM 0 HA THR A 53 -17.689 7.104 -1.720 1.00 0.00 H new ATOM 0 HB THR A 53 -16.362 6.588 0.161 1.00 0.00 H new ATOM 0 HG1 THR A 53 -17.664 6.623 2.358 1.00 0.00 H new ATOM 0 HG21 THR A 53 -16.773 8.460 1.789 1.00 0.00 H new ATOM 0 HG22 THR A 53 -16.892 8.978 0.090 1.00 0.00 H new ATOM 0 HG23 THR A 53 -18.370 8.713 1.045 1.00 0.00 H new ATOM 864 N PHE A 54 -16.938 4.586 -1.426 1.00 0.00 N ATOM 865 CA PHE A 54 -16.753 3.185 -1.793 1.00 0.00 C ATOM 866 C PHE A 54 -15.827 2.489 -0.824 1.00 0.00 C ATOM 867 O PHE A 54 -14.610 2.725 -0.797 1.00 0.00 O ATOM 868 CB PHE A 54 -16.149 3.081 -3.227 1.00 0.00 C ATOM 869 CG PHE A 54 -16.050 1.670 -3.826 1.00 0.00 C ATOM 870 CD1 PHE A 54 -15.345 0.675 -3.139 1.00 0.00 C ATOM 871 CD2 PHE A 54 -16.664 1.362 -5.043 1.00 0.00 C ATOM 872 CE1 PHE A 54 -15.288 -0.620 -3.642 1.00 0.00 C ATOM 873 CE2 PHE A 54 -16.602 0.066 -5.549 1.00 0.00 C ATOM 874 CZ PHE A 54 -15.924 -0.927 -4.843 1.00 0.00 C ATOM 0 H PHE A 54 -16.071 5.120 -1.365 1.00 0.00 H new ATOM 0 HA PHE A 54 -17.730 2.702 -1.763 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -16.751 3.695 -3.897 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -15.149 3.515 -3.209 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -14.843 0.914 -2.213 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -17.188 2.131 -5.592 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -14.752 -1.387 -3.103 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -17.079 -0.170 -6.489 1.00 0.00 H new ATOM 0 HZ PHE A 54 -15.892 -1.936 -5.228 1.00 0.00 H new ATOM 884 N LYS A 55 -16.386 1.601 -0.024 1.00 0.00 N ATOM 885 CA LYS A 55 -15.610 0.834 0.947 1.00 0.00 C ATOM 886 C LYS A 55 -16.418 -0.319 1.493 1.00 0.00 C ATOM 887 O LYS A 55 -16.369 -0.639 2.692 1.00 0.00 O ATOM 888 CB LYS A 55 -15.147 1.774 2.094 1.00 0.00 C ATOM 889 CG LYS A 55 -16.213 2.822 2.505 1.00 0.00 C ATOM 890 CD LYS A 55 -17.487 2.246 3.131 1.00 0.00 C ATOM 891 CE LYS A 55 -18.616 3.281 3.031 1.00 0.00 C ATOM 892 NZ LYS A 55 -18.819 3.915 4.346 1.00 0.00 N ATOM 0 H LYS A 55 -17.383 1.388 -0.024 1.00 0.00 H new ATOM 0 HA LYS A 55 -14.734 0.416 0.451 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -14.888 1.171 2.964 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -14.240 2.293 1.784 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -15.762 3.517 3.213 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -16.490 3.400 1.623 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -17.774 1.328 2.619 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -17.308 1.987 4.174 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -18.366 4.036 2.286 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -19.537 2.800 2.701 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -19.584 4.616 4.279 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -19.075 3.189 5.045 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -17.941 4.387 4.643 1.00 0.00 H new ATOM 906 N GLU A 56 -17.161 -0.981 0.627 1.00 0.00 N ATOM 907 CA GLU A 56 -18.108 -2.010 1.048 1.00 0.00 C ATOM 908 C GLU A 56 -17.473 -3.379 1.123 1.00 0.00 C ATOM 909 O GLU A 56 -18.182 -4.410 1.035 1.00 0.00 O ATOM 910 CB GLU A 56 -19.302 -2.009 0.048 1.00 0.00 C ATOM 911 CG GLU A 56 -20.743 -1.884 0.646 1.00 0.00 C ATOM 912 CD GLU A 56 -21.017 -2.496 2.021 1.00 0.00 C ATOM 913 OE1 GLU A 56 -21.302 -3.827 1.982 1.00 0.00 O ATOM 914 OE2 GLU A 56 -20.984 -1.847 3.058 1.00 0.00 O ATOM 0 H GLU A 56 -17.130 -0.827 -0.381 1.00 0.00 H new ATOM 0 HA GLU A 56 -18.454 -1.780 2.056 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -19.155 -1.186 -0.651 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -19.257 -2.931 -0.531 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -20.989 -0.823 0.700 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -21.437 -2.336 -0.063 1.00 0.00 H new ATOM 921 N LYS A 57 -16.170 -3.466 1.304 1.00 0.00 N ATOM 922 CA LYS A 57 -15.508 -4.754 1.520 1.00 0.00 C ATOM 923 C LYS A 57 -14.081 -4.575 1.981 1.00 0.00 C ATOM 924 O LYS A 57 -13.404 -3.590 1.657 1.00 0.00 O ATOM 925 CB LYS A 57 -15.566 -5.585 0.208 1.00 0.00 C ATOM 926 CG LYS A 57 -15.714 -7.108 0.451 1.00 0.00 C ATOM 927 CD LYS A 57 -17.088 -7.685 0.100 1.00 0.00 C ATOM 928 CE LYS A 57 -17.547 -8.618 1.228 1.00 0.00 C ATOM 929 NZ LYS A 57 -18.133 -9.839 0.646 1.00 0.00 N ATOM 0 H LYS A 57 -15.541 -2.663 1.307 1.00 0.00 H new ATOM 0 HA LYS A 57 -16.033 -5.288 2.312 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -16.404 -5.238 -0.397 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -14.659 -5.403 -0.369 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -14.957 -7.630 -0.134 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -15.506 -7.316 1.501 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -17.809 -6.880 -0.038 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -17.036 -8.231 -0.842 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -16.703 -8.876 1.868 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -18.281 -8.113 1.856 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -18.445 -10.473 1.410 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -18.949 -9.584 0.053 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -17.420 -10.323 0.064 1.00 0.00 H new ATOM 943 N ASP A 58 -13.588 -5.545 2.734 1.00 0.00 N ATOM 944 CA ASP A 58 -12.186 -5.549 3.150 1.00 0.00 C ATOM 945 C ASP A 58 -11.269 -6.192 2.131 1.00 0.00 C ATOM 946 O ASP A 58 -10.032 -6.041 2.209 1.00 0.00 O ATOM 947 CB ASP A 58 -12.031 -6.243 4.533 1.00 0.00 C ATOM 948 CG ASP A 58 -13.041 -5.877 5.626 1.00 0.00 C ATOM 949 OD1 ASP A 58 -14.236 -6.125 5.541 1.00 0.00 O ATOM 950 OD2 ASP A 58 -12.467 -5.236 6.689 1.00 0.00 O ATOM 0 H ASP A 58 -14.132 -6.339 3.071 1.00 0.00 H new ATOM 0 HA ASP A 58 -11.881 -4.506 3.232 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -12.081 -7.320 4.376 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -11.033 -6.022 4.910 1.00 0.00 H new ATOM 955 N THR A 59 -11.824 -6.931 1.190 1.00 0.00 N ATOM 956 CA THR A 59 -11.024 -7.487 0.102 1.00 0.00 C ATOM 957 C THR A 59 -10.183 -6.398 -0.540 1.00 0.00 C ATOM 958 O THR A 59 -9.222 -6.685 -1.267 1.00 0.00 O ATOM 959 CB THR A 59 -11.896 -8.149 -1.024 1.00 0.00 C ATOM 960 OG1 THR A 59 -12.603 -9.281 -0.542 1.00 0.00 O ATOM 961 CG2 THR A 59 -11.125 -8.679 -2.254 1.00 0.00 C ATOM 0 H THR A 59 -12.817 -7.162 1.151 1.00 0.00 H new ATOM 0 HA THR A 59 -10.398 -8.258 0.552 1.00 0.00 H new ATOM 0 HB THR A 59 -12.537 -7.320 -1.325 1.00 0.00 H new ATOM 0 HG1 THR A 59 -13.136 -9.667 -1.268 1.00 0.00 H new ATOM 0 HG21 THR A 59 -11.828 -9.114 -2.964 1.00 0.00 H new ATOM 0 HG22 THR A 59 -10.590 -7.857 -2.730 1.00 0.00 H new ATOM 0 HG23 THR A 59 -10.412 -9.440 -1.936 1.00 0.00 H new ATOM 969 N TYR A 60 -10.577 -5.154 -0.358 1.00 0.00 N ATOM 970 CA TYR A 60 -9.769 -4.005 -0.778 1.00 0.00 C ATOM 971 C TYR A 60 -10.044 -2.827 0.129 1.00 0.00 C ATOM 972 O TYR A 60 -10.897 -1.970 -0.166 1.00 0.00 O ATOM 973 CB TYR A 60 -10.104 -3.576 -2.234 1.00 0.00 C ATOM 974 CG TYR A 60 -9.543 -4.453 -3.358 1.00 0.00 C ATOM 975 CD1 TYR A 60 -8.161 -4.572 -3.526 1.00 0.00 C ATOM 976 CD2 TYR A 60 -10.401 -5.125 -4.231 1.00 0.00 C ATOM 977 CE1 TYR A 60 -7.639 -5.433 -4.488 1.00 0.00 C ATOM 978 CE2 TYR A 60 -9.882 -5.966 -5.212 1.00 0.00 C ATOM 979 CZ TYR A 60 -8.504 -6.124 -5.336 1.00 0.00 C ATOM 980 OH TYR A 60 -8.001 -6.962 -6.291 1.00 0.00 O ATOM 0 H TYR A 60 -11.462 -4.901 0.083 1.00 0.00 H new ATOM 0 HA TYR A 60 -8.722 -4.304 -0.722 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -11.189 -3.543 -2.338 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -9.739 -2.560 -2.381 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -7.493 -3.992 -2.906 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -11.469 -4.992 -4.145 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -6.571 -5.565 -4.577 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -10.548 -6.496 -5.877 1.00 0.00 H new ATOM 0 HH TYR A 60 -8.739 -7.365 -6.794 1.00 0.00 H new ATOM 990 N LYS A 61 -9.356 -2.758 1.251 1.00 0.00 N ATOM 991 CA LYS A 61 -9.679 -1.785 2.296 1.00 0.00 C ATOM 992 C LYS A 61 -8.891 -0.497 2.183 1.00 0.00 C ATOM 993 O LYS A 61 -7.938 -0.373 1.408 1.00 0.00 O ATOM 994 CB LYS A 61 -9.431 -2.448 3.682 1.00 0.00 C ATOM 995 CG LYS A 61 -10.467 -2.084 4.773 1.00 0.00 C ATOM 996 CD LYS A 61 -10.261 -2.794 6.116 1.00 0.00 C ATOM 997 CE LYS A 61 -10.762 -1.897 7.256 1.00 0.00 C ATOM 998 NZ LYS A 61 -9.797 -1.935 8.370 1.00 0.00 N ATOM 0 H LYS A 61 -8.565 -3.363 1.471 1.00 0.00 H new ATOM 0 HA LYS A 61 -10.726 -1.506 2.177 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -9.424 -3.531 3.555 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -8.440 -2.162 4.033 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -10.436 -1.007 4.939 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -11.464 -2.321 4.401 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -10.798 -3.742 6.123 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -9.205 -3.025 6.259 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -10.884 -0.874 6.901 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -11.741 -2.235 7.596 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -10.135 -1.327 9.143 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -9.702 -2.912 8.714 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -8.872 -1.592 8.040 1.00 0.00 H new ATOM 1012 N LEU A 62 -9.309 0.491 2.954 1.00 0.00 N ATOM 1013 CA LEU A 62 -8.678 1.807 2.992 1.00 0.00 C ATOM 1014 C LEU A 62 -8.223 2.144 4.393 1.00 0.00 C ATOM 1015 O LEU A 62 -8.899 1.817 5.388 1.00 0.00 O ATOM 1016 CB LEU A 62 -9.653 2.899 2.462 1.00 0.00 C ATOM 1017 CG LEU A 62 -9.586 3.264 0.954 1.00 0.00 C ATOM 1018 CD1 LEU A 62 -8.798 2.187 0.193 1.00 0.00 C ATOM 1019 CD2 LEU A 62 -10.979 3.453 0.331 1.00 0.00 C ATOM 0 H LEU A 62 -10.108 0.405 3.582 1.00 0.00 H new ATOM 0 HA LEU A 62 -7.802 1.780 2.344 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -10.670 2.575 2.683 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -9.478 3.810 3.034 1.00 0.00 H new ATOM 0 HG LEU A 62 -9.072 4.222 0.871 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -8.754 2.448 -0.864 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -7.786 2.125 0.594 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -9.294 1.223 0.309 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -10.874 3.707 -0.724 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -11.549 2.529 0.427 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -11.502 4.258 0.848 1.00 0.00 H new ATOM 1031 N PHE A 63 -7.097 2.819 4.520 1.00 0.00 N ATOM 1032 CA PHE A 63 -6.643 3.324 5.815 1.00 0.00 C ATOM 1033 C PHE A 63 -6.382 4.809 5.750 1.00 0.00 C ATOM 1034 O PHE A 63 -6.117 5.379 4.678 1.00 0.00 O ATOM 1035 CB PHE A 63 -5.332 2.601 6.249 1.00 0.00 C ATOM 1036 CG PHE A 63 -5.451 1.103 6.569 1.00 0.00 C ATOM 1037 CD1 PHE A 63 -5.795 0.696 7.863 1.00 0.00 C ATOM 1038 CD2 PHE A 63 -5.220 0.140 5.584 1.00 0.00 C ATOM 1039 CE1 PHE A 63 -5.930 -0.655 8.162 1.00 0.00 C ATOM 1040 CE2 PHE A 63 -5.355 -1.213 5.884 1.00 0.00 C ATOM 1041 CZ PHE A 63 -5.714 -1.610 7.171 1.00 0.00 C ATOM 0 H PHE A 63 -6.473 3.034 3.743 1.00 0.00 H new ATOM 0 HA PHE A 63 -7.430 3.128 6.543 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -4.596 2.723 5.455 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -4.938 3.108 7.130 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -5.956 1.435 8.633 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -4.936 0.445 4.588 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -6.202 -0.964 9.161 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -5.181 -1.955 5.119 1.00 0.00 H new ATOM 0 HZ PHE A 63 -5.825 -2.660 7.400 1.00 0.00 H new ATOM 1051 N LYS A 64 -6.471 5.477 6.886 1.00 0.00 N ATOM 1052 CA LYS A 64 -6.213 6.914 6.953 1.00 0.00 C ATOM 1053 C LYS A 64 -4.751 7.234 6.734 1.00 0.00 C ATOM 1054 O LYS A 64 -4.384 8.413 6.530 1.00 0.00 O ATOM 1055 CB LYS A 64 -6.696 7.465 8.324 1.00 0.00 C ATOM 1056 CG LYS A 64 -6.273 6.602 9.539 1.00 0.00 C ATOM 1057 CD LYS A 64 -7.434 6.026 10.354 1.00 0.00 C ATOM 1058 CE LYS A 64 -6.967 4.754 11.073 1.00 0.00 C ATOM 1059 NZ LYS A 64 -8.068 4.225 11.898 1.00 0.00 N ATOM 0 H LYS A 64 -6.720 5.051 7.779 1.00 0.00 H new ATOM 0 HA LYS A 64 -6.769 7.398 6.151 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -6.305 8.474 8.456 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -7.783 7.543 8.309 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -5.654 5.779 9.184 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -5.651 7.208 10.198 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -7.783 6.760 11.080 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -8.276 5.799 9.699 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -6.652 4.006 10.345 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -6.102 4.974 11.699 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -7.753 3.362 12.386 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -8.348 4.938 12.601 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -8.881 4.001 11.289 1.00 0.00 H new ATOM 1073 N ASN A 65 -3.876 6.248 6.785 1.00 0.00 N ATOM 1074 CA ASN A 65 -2.459 6.460 6.480 1.00 0.00 C ATOM 1075 C ASN A 65 -2.128 6.096 5.052 1.00 0.00 C ATOM 1076 O ASN A 65 -0.979 5.730 4.731 1.00 0.00 O ATOM 1077 CB ASN A 65 -1.595 5.624 7.470 1.00 0.00 C ATOM 1078 CG ASN A 65 -1.760 4.101 7.413 1.00 0.00 C ATOM 1079 OD1 ASN A 65 -2.444 3.553 6.560 1.00 0.00 O ATOM 1080 ND2 ASN A 65 -1.150 3.344 8.349 1.00 0.00 N ATOM 0 H ASN A 65 -4.114 5.288 7.034 1.00 0.00 H new ATOM 0 HA ASN A 65 -2.237 7.521 6.597 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -0.546 5.859 7.288 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -1.825 5.953 8.483 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -0.576 3.786 9.067 1.00 0.00 H new ATOM 1086 N GLY A 66 -3.093 6.175 4.156 1.00 0.00 N ATOM 1087 CA GLY A 66 -2.843 5.981 2.732 1.00 0.00 C ATOM 1088 C GLY A 66 -2.677 4.531 2.348 1.00 0.00 C ATOM 1089 O GLY A 66 -2.322 4.227 1.184 1.00 0.00 O ATOM 0 H GLY A 66 -4.066 6.374 4.387 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -3.669 6.408 2.164 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -1.945 6.530 2.450 1.00 0.00 H new ATOM 1093 N THR A 67 -2.904 3.598 3.251 1.00 0.00 N ATOM 1094 CA THR A 67 -2.685 2.178 2.966 1.00 0.00 C ATOM 1095 C THR A 67 -3.924 1.545 2.380 1.00 0.00 C ATOM 1096 O THR A 67 -5.038 2.106 2.490 1.00 0.00 O ATOM 1097 CB THR A 67 -2.237 1.419 4.261 1.00 0.00 C ATOM 1098 OG1 THR A 67 -0.868 1.682 4.543 1.00 0.00 O ATOM 1099 CG2 THR A 67 -2.335 -0.121 4.221 1.00 0.00 C ATOM 0 H THR A 67 -3.241 3.790 4.194 1.00 0.00 H new ATOM 0 HA THR A 67 -1.887 2.101 2.228 1.00 0.00 H new ATOM 0 HB THR A 67 -2.937 1.794 5.008 1.00 0.00 H new ATOM 0 HG1 THR A 67 -0.804 2.349 5.258 1.00 0.00 H new ATOM 0 HG21 THR A 67 -1.998 -0.532 5.173 1.00 0.00 H new ATOM 0 HG22 THR A 67 -3.370 -0.415 4.045 1.00 0.00 H new ATOM 0 HG23 THR A 67 -1.707 -0.505 3.417 1.00 0.00 H new ATOM 1107 N LEU A 68 -3.792 0.401 1.734 1.00 0.00 N ATOM 1108 CA LEU A 68 -4.968 -0.341 1.261 1.00 0.00 C ATOM 1109 C LEU A 68 -4.833 -1.827 1.494 1.00 0.00 C ATOM 1110 O LEU A 68 -4.007 -2.524 0.887 1.00 0.00 O ATOM 1111 CB LEU A 68 -5.241 -0.041 -0.241 1.00 0.00 C ATOM 1112 CG LEU A 68 -6.399 -0.801 -0.941 1.00 0.00 C ATOM 1113 CD1 LEU A 68 -7.520 0.140 -1.421 1.00 0.00 C ATOM 1114 CD2 LEU A 68 -5.839 -1.593 -2.140 1.00 0.00 C ATOM 0 H LEU A 68 -2.897 -0.039 1.522 1.00 0.00 H new ATOM 0 HA LEU A 68 -5.822 0.001 1.846 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -5.437 1.027 -0.337 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -4.325 -0.248 -0.794 1.00 0.00 H new ATOM 0 HG LEU A 68 -6.838 -1.477 -0.207 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -8.304 -0.444 -1.903 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -7.938 0.673 -0.567 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -7.113 0.858 -2.133 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -6.650 -2.128 -2.634 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -5.376 -0.904 -2.847 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -5.095 -2.307 -1.788 1.00 0.00 H new ATOM 1126 N LYS A 69 -5.688 -2.364 2.352 1.00 0.00 N ATOM 1127 CA LYS A 69 -5.570 -3.749 2.802 1.00 0.00 C ATOM 1128 C LYS A 69 -6.467 -4.664 2.005 1.00 0.00 C ATOM 1129 O LYS A 69 -7.688 -4.741 2.257 1.00 0.00 O ATOM 1130 CB LYS A 69 -5.907 -3.827 4.318 1.00 0.00 C ATOM 1131 CG LYS A 69 -6.307 -5.242 4.804 1.00 0.00 C ATOM 1132 CD LYS A 69 -6.519 -5.367 6.316 1.00 0.00 C ATOM 1133 CE LYS A 69 -5.833 -6.645 6.819 1.00 0.00 C ATOM 1134 NZ LYS A 69 -6.855 -7.625 7.224 1.00 0.00 N ATOM 0 H LYS A 69 -6.478 -1.860 2.755 1.00 0.00 H new ATOM 0 HA LYS A 69 -4.545 -4.084 2.643 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -5.043 -3.489 4.889 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -6.722 -3.136 4.534 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -7.225 -5.539 4.297 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -5.533 -5.947 4.500 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -6.109 -4.495 6.826 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -7.584 -5.398 6.544 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -5.202 -7.064 6.035 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -5.182 -6.413 7.662 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -6.390 -8.491 7.565 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -7.439 -7.223 7.985 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -7.459 -7.854 6.409 1.00 0.00 H new ATOM 1148 N ILE A 70 -5.920 -5.418 1.070 1.00 0.00 N ATOM 1149 CA ILE A 70 -6.731 -6.191 0.129 1.00 0.00 C ATOM 1150 C ILE A 70 -6.638 -7.666 0.433 1.00 0.00 C ATOM 1151 O ILE A 70 -5.589 -8.318 0.352 1.00 0.00 O ATOM 1152 CB ILE A 70 -6.373 -5.801 -1.373 1.00 0.00 C ATOM 1153 CG1 ILE A 70 -5.064 -6.404 -1.976 1.00 0.00 C ATOM 1154 CG2 ILE A 70 -6.293 -4.250 -1.542 1.00 0.00 C ATOM 1155 CD1 ILE A 70 -4.010 -5.396 -2.476 1.00 0.00 C ATOM 0 H ILE A 70 -4.914 -5.516 0.936 1.00 0.00 H new ATOM 0 HA ILE A 70 -7.783 -5.935 0.252 1.00 0.00 H new ATOM 0 HB ILE A 70 -7.196 -6.249 -1.929 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -4.600 -7.036 -1.219 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -5.339 -7.052 -2.808 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -6.047 -4.009 -2.576 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -7.255 -3.806 -1.285 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -5.521 -3.852 -0.883 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -3.149 -5.936 -2.871 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -4.443 -4.777 -3.262 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -3.692 -4.762 -1.649 1.00 0.00 H new ATOM 1167 N LYS A 71 -7.780 -8.234 0.826 1.00 0.00 N ATOM 1168 CA LYS A 71 -7.827 -9.599 1.337 1.00 0.00 C ATOM 1169 C LYS A 71 -7.722 -10.646 0.243 1.00 0.00 C ATOM 1170 O LYS A 71 -8.192 -10.461 -0.886 1.00 0.00 O ATOM 1171 CB LYS A 71 -9.137 -9.797 2.152 1.00 0.00 C ATOM 1172 CG LYS A 71 -8.971 -10.778 3.342 1.00 0.00 C ATOM 1173 CD LYS A 71 -10.043 -11.868 3.437 1.00 0.00 C ATOM 1174 CE LYS A 71 -11.416 -11.210 3.629 1.00 0.00 C ATOM 1175 NZ LYS A 71 -12.046 -11.002 2.313 1.00 0.00 N ATOM 0 H LYS A 71 -8.686 -7.765 0.799 1.00 0.00 H new ATOM 0 HA LYS A 71 -6.957 -9.739 1.979 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -9.473 -8.831 2.529 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -9.918 -10.169 1.489 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -7.994 -11.256 3.266 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -8.974 -10.205 4.269 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -10.041 -12.476 2.533 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -9.827 -12.536 4.271 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -12.050 -11.840 4.253 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -11.306 -10.257 4.147 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -13.054 -11.251 2.368 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -11.950 -10.004 2.036 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -11.579 -11.604 1.605 1.00 0.00 H new ATOM 1189 N HIS A 72 -7.133 -11.775 0.608 1.00 0.00 N ATOM 1190 CA HIS A 72 -7.060 -12.944 -0.265 1.00 0.00 C ATOM 1191 C HIS A 72 -6.306 -12.652 -1.540 1.00 0.00 C ATOM 1192 O HIS A 72 -6.824 -12.009 -2.468 1.00 0.00 O ATOM 1193 CB HIS A 72 -8.518 -13.325 -0.586 1.00 0.00 C ATOM 1194 CG HIS A 72 -8.639 -14.713 -1.144 1.00 0.00 C ATOM 1195 ND1 HIS A 72 -8.077 -15.864 -0.597 1.00 0.00 N ATOM 1196 CD2 HIS A 72 -9.353 -14.996 -2.300 1.00 0.00 C ATOM 1197 CE1 HIS A 72 -8.511 -16.777 -1.487 1.00 0.00 C ATOM 1198 NE2 HIS A 72 -9.272 -16.345 -2.529 1.00 0.00 N ATOM 0 H HIS A 72 -6.691 -11.910 1.517 1.00 0.00 H new ATOM 0 HA HIS A 72 -6.521 -13.753 0.228 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -9.119 -13.247 0.320 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -8.927 -12.612 -1.302 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -9.880 -14.279 -2.912 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -8.262 -17.822 -1.377 1.00 0.00 H new ATOM 0 HE2 HIS A 72 -9.680 -16.889 -3.290 1.00 0.00 H new ATOM 1207 N LEU A 73 -5.076 -13.156 -1.648 1.00 0.00 N ATOM 1208 CA LEU A 73 -4.237 -12.832 -2.796 1.00 0.00 C ATOM 1209 C LEU A 73 -3.305 -13.937 -3.296 1.00 0.00 C ATOM 1210 O LEU A 73 -2.206 -14.183 -2.788 1.00 0.00 O ATOM 1211 CB LEU A 73 -3.344 -11.571 -2.550 1.00 0.00 C ATOM 1212 CG LEU A 73 -2.219 -11.341 -3.619 1.00 0.00 C ATOM 1213 CD1 LEU A 73 -2.333 -9.931 -4.210 1.00 0.00 C ATOM 1214 CD2 LEU A 73 -0.810 -11.541 -3.041 1.00 0.00 C ATOM 0 H LEU A 73 -4.646 -13.780 -0.965 1.00 0.00 H new ATOM 0 HA LEU A 73 -4.990 -12.659 -3.565 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -3.985 -10.690 -2.522 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -2.880 -11.658 -1.568 1.00 0.00 H new ATOM 0 HG LEU A 73 -2.365 -12.088 -4.400 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -1.547 -9.782 -4.951 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -3.307 -9.813 -4.685 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -2.226 -9.193 -3.415 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -0.069 -11.370 -3.822 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -0.648 -10.836 -2.226 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -0.712 -12.559 -2.665 1.00 0.00 H new ATOM 1226 N LYS A 74 -3.735 -14.579 -4.366 1.00 0.00 N ATOM 1227 CA LYS A 74 -2.960 -15.467 -5.221 1.00 0.00 C ATOM 1228 C LYS A 74 -2.733 -14.825 -6.579 1.00 0.00 C ATOM 1229 O LYS A 74 -3.012 -13.639 -6.800 1.00 0.00 O ATOM 1230 CB LYS A 74 -3.671 -16.844 -5.410 1.00 0.00 C ATOM 1231 CG LYS A 74 -5.202 -16.874 -5.165 1.00 0.00 C ATOM 1232 CD LYS A 74 -5.647 -17.467 -3.825 1.00 0.00 C ATOM 1233 CE LYS A 74 -5.705 -18.997 -3.946 1.00 0.00 C ATOM 1234 NZ LYS A 74 -6.828 -19.513 -3.143 1.00 0.00 N ATOM 0 H LYS A 74 -4.700 -14.490 -4.685 1.00 0.00 H new ATOM 0 HA LYS A 74 -2.001 -15.639 -4.732 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -3.482 -17.188 -6.427 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -3.204 -17.564 -4.738 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -5.583 -15.855 -5.235 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -5.669 -17.445 -5.967 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -4.952 -17.178 -3.037 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -6.625 -17.075 -3.547 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -5.828 -19.285 -4.990 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -4.768 -19.435 -3.603 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -6.867 -20.549 -3.225 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -6.692 -19.250 -2.146 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -7.719 -19.105 -3.490 1.00 0.00 H new ATOM 1248 N THR A 75 -2.199 -15.613 -7.493 1.00 0.00 N ATOM 1249 CA THR A 75 -2.053 -15.186 -8.885 1.00 0.00 C ATOM 1250 C THR A 75 -3.316 -14.546 -9.429 1.00 0.00 C ATOM 1251 O THR A 75 -3.290 -13.656 -10.290 1.00 0.00 O ATOM 1252 CB THR A 75 -1.631 -16.398 -9.783 1.00 0.00 C ATOM 1253 OG1 THR A 75 -0.308 -16.813 -9.471 1.00 0.00 O ATOM 1254 CG2 THR A 75 -1.609 -16.147 -11.306 1.00 0.00 C ATOM 0 H THR A 75 -1.857 -16.555 -7.303 1.00 0.00 H new ATOM 0 HA THR A 75 -1.271 -14.427 -8.908 1.00 0.00 H new ATOM 0 HB THR A 75 -2.403 -17.135 -9.562 1.00 0.00 H new ATOM 0 HG1 THR A 75 -0.061 -17.572 -10.040 1.00 0.00 H new ATOM 0 HG21 THR A 75 -1.302 -17.058 -11.820 1.00 0.00 H new ATOM 0 HG22 THR A 75 -2.605 -15.859 -11.642 1.00 0.00 H new ATOM 0 HG23 THR A 75 -0.904 -15.347 -11.533 1.00 0.00 H new ATOM 1262 N ASP A 76 -4.443 -14.990 -8.902 1.00 0.00 N ATOM 1263 CA ASP A 76 -5.752 -14.560 -9.382 1.00 0.00 C ATOM 1264 C ASP A 76 -6.194 -13.289 -8.695 1.00 0.00 C ATOM 1265 O ASP A 76 -6.877 -12.436 -9.285 1.00 0.00 O ATOM 1266 CB ASP A 76 -6.788 -15.702 -9.211 1.00 0.00 C ATOM 1267 CG ASP A 76 -6.761 -16.818 -10.266 1.00 0.00 C ATOM 1268 OD1 ASP A 76 -6.555 -16.609 -11.452 1.00 0.00 O ATOM 1269 OD2 ASP A 76 -6.973 -18.058 -9.732 1.00 0.00 O ATOM 0 H ASP A 76 -4.481 -15.657 -8.131 1.00 0.00 H new ATOM 0 HA ASP A 76 -5.677 -14.334 -10.446 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -6.637 -16.155 -8.231 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -7.785 -15.260 -9.207 1.00 0.00 H new ATOM 1274 N ASP A 77 -5.811 -13.133 -7.442 1.00 0.00 N ATOM 1275 CA ASP A 77 -6.057 -11.894 -6.709 1.00 0.00 C ATOM 1276 C ASP A 77 -4.828 -11.013 -6.676 1.00 0.00 C ATOM 1277 O ASP A 77 -4.678 -10.155 -5.781 1.00 0.00 O ATOM 1278 CB ASP A 77 -6.581 -12.205 -5.281 1.00 0.00 C ATOM 1279 CG ASP A 77 -8.107 -12.252 -5.107 1.00 0.00 C ATOM 1280 OD1 ASP A 77 -8.663 -13.392 -5.615 1.00 0.00 O ATOM 1281 OD2 ASP A 77 -8.744 -11.356 -4.573 1.00 0.00 O ATOM 0 H ASP A 77 -5.325 -13.850 -6.903 1.00 0.00 H new ATOM 0 HA ASP A 77 -6.829 -11.334 -7.237 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -6.172 -13.166 -4.969 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -6.183 -11.453 -4.600 1.00 0.00 H new ATOM 1286 N GLN A 78 -3.920 -11.181 -7.617 1.00 0.00 N ATOM 1287 CA GLN A 78 -2.773 -10.281 -7.763 1.00 0.00 C ATOM 1288 C GLN A 78 -2.968 -9.354 -8.938 1.00 0.00 C ATOM 1289 O GLN A 78 -3.236 -9.780 -10.071 1.00 0.00 O ATOM 1290 CB GLN A 78 -1.491 -11.126 -7.926 1.00 0.00 C ATOM 1291 CG GLN A 78 -0.256 -10.407 -8.566 1.00 0.00 C ATOM 1292 CD GLN A 78 -0.150 -10.321 -10.093 1.00 0.00 C ATOM 1293 OE1 GLN A 78 -0.269 -9.254 -10.675 1.00 0.00 O ATOM 1294 NE2 GLN A 78 0.096 -11.399 -10.794 1.00 0.00 N ATOM 0 H GLN A 78 -3.948 -11.937 -8.302 1.00 0.00 H new ATOM 0 HA GLN A 78 -2.680 -9.660 -6.872 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -1.199 -11.495 -6.943 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -1.732 -11.997 -8.535 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -0.231 -9.389 -8.177 1.00 0.00 H new ATOM 0 HG3 GLN A 78 0.641 -10.909 -8.202 1.00 0.00 H new ATOM 0 HE21 GLN A 78 0.199 -12.299 -10.326 1.00 0.00 H new ATOM 0 HE22 GLN A 78 0.185 -11.338 -11.808 1.00 0.00 H new ATOM 1303 N ASP A 79 -2.858 -8.063 -8.687 1.00 0.00 N ATOM 1304 CA ASP A 79 -3.162 -7.052 -9.695 1.00 0.00 C ATOM 1305 C ASP A 79 -2.256 -5.849 -9.567 1.00 0.00 C ATOM 1306 O ASP A 79 -1.462 -5.717 -8.625 1.00 0.00 O ATOM 1307 CB ASP A 79 -4.659 -6.649 -9.611 1.00 0.00 C ATOM 1308 CG ASP A 79 -5.489 -6.802 -10.893 1.00 0.00 C ATOM 1309 OD1 ASP A 79 -4.774 -6.529 -12.025 1.00 0.00 O ATOM 1310 OD2 ASP A 79 -6.660 -7.155 -10.890 1.00 0.00 O ATOM 0 H ASP A 79 -2.559 -7.683 -7.789 1.00 0.00 H new ATOM 0 HA ASP A 79 -2.976 -7.483 -10.679 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -5.128 -7.246 -8.829 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -4.713 -5.608 -9.293 1.00 0.00 H new ATOM 1315 N ILE A 80 -2.353 -4.959 -10.539 1.00 0.00 N ATOM 1316 CA ILE A 80 -1.664 -3.673 -10.488 1.00 0.00 C ATOM 1317 C ILE A 80 -2.561 -2.624 -9.869 1.00 0.00 C ATOM 1318 O ILE A 80 -3.793 -2.654 -10.016 1.00 0.00 O ATOM 1319 CB ILE A 80 -1.115 -3.262 -11.916 1.00 0.00 C ATOM 1320 CG1 ILE A 80 -0.540 -4.449 -12.756 1.00 0.00 C ATOM 1321 CG2 ILE A 80 -0.025 -2.148 -11.852 1.00 0.00 C ATOM 1322 CD1 ILE A 80 0.120 -4.078 -14.099 1.00 0.00 C ATOM 0 H ILE A 80 -2.907 -5.102 -11.383 1.00 0.00 H new ATOM 0 HA ILE A 80 -0.788 -3.761 -9.845 1.00 0.00 H new ATOM 0 HB ILE A 80 -2.006 -2.885 -12.418 1.00 0.00 H new ATOM 0 HG12 ILE A 80 0.195 -4.975 -12.147 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -1.350 -5.151 -12.955 1.00 0.00 H new ATOM 0 HG21 ILE A 80 0.312 -1.910 -12.861 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -0.444 -1.255 -11.389 1.00 0.00 H new ATOM 0 HG23 ILE A 80 0.821 -2.500 -11.261 1.00 0.00 H new ATOM 0 HD11 ILE A 80 0.480 -4.982 -14.590 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -0.611 -3.584 -14.739 1.00 0.00 H new ATOM 0 HD13 ILE A 80 0.958 -3.405 -13.919 1.00 0.00 H new ATOM 1334 N TYR A 81 -1.963 -1.668 -9.186 1.00 0.00 N ATOM 1335 CA TYR A 81 -2.701 -0.691 -8.391 1.00 0.00 C ATOM 1336 C TYR A 81 -2.043 0.666 -8.451 1.00 0.00 C ATOM 1337 O TYR A 81 -0.883 0.814 -8.863 1.00 0.00 O ATOM 1338 CB TYR A 81 -2.760 -1.150 -6.901 1.00 0.00 C ATOM 1339 CG TYR A 81 -3.426 -2.508 -6.650 1.00 0.00 C ATOM 1340 CD1 TYR A 81 -2.801 -3.693 -7.045 1.00 0.00 C ATOM 1341 CD2 TYR A 81 -4.666 -2.562 -6.010 1.00 0.00 C ATOM 1342 CE1 TYR A 81 -3.365 -4.922 -6.712 1.00 0.00 C ATOM 1343 CE2 TYR A 81 -5.229 -3.791 -5.678 1.00 0.00 C ATOM 1344 CZ TYR A 81 -4.573 -4.969 -6.022 1.00 0.00 C ATOM 1345 OH TYR A 81 -5.118 -6.177 -5.689 1.00 0.00 O ATOM 0 H TYR A 81 -0.951 -1.542 -9.163 1.00 0.00 H new ATOM 0 HA TYR A 81 -3.707 -0.619 -8.804 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -1.743 -1.187 -6.511 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -3.294 -0.392 -6.327 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -1.880 -3.656 -7.609 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -5.190 -1.648 -5.772 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -2.865 -5.838 -6.989 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -6.173 -3.830 -5.155 1.00 0.00 H new ATOM 0 HH TYR A 81 -6.066 -6.187 -5.936 1.00 0.00 H new ATOM 1355 N LYS A 82 -2.789 1.685 -8.067 1.00 0.00 N ATOM 1356 CA LYS A 82 -2.244 3.034 -7.940 1.00 0.00 C ATOM 1357 C LYS A 82 -3.045 3.841 -6.946 1.00 0.00 C ATOM 1358 O LYS A 82 -4.275 3.717 -6.842 1.00 0.00 O ATOM 1359 CB LYS A 82 -2.221 3.723 -9.332 1.00 0.00 C ATOM 1360 CG LYS A 82 -2.165 5.269 -9.253 1.00 0.00 C ATOM 1361 CD LYS A 82 -1.360 5.941 -10.369 1.00 0.00 C ATOM 1362 CE LYS A 82 -1.696 5.271 -11.708 1.00 0.00 C ATOM 1363 NZ LYS A 82 -3.154 5.305 -11.919 1.00 0.00 N ATOM 0 H LYS A 82 -3.779 1.609 -7.835 1.00 0.00 H new ATOM 0 HA LYS A 82 -1.222 2.972 -7.566 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -1.358 3.364 -9.893 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -3.109 3.427 -9.890 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -3.183 5.657 -9.275 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -1.736 5.554 -8.293 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -1.594 7.005 -10.412 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -0.293 5.857 -10.165 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -1.187 5.786 -12.523 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -1.341 4.241 -11.711 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -3.355 5.498 -12.921 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -3.565 4.387 -11.654 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -3.572 6.054 -11.331 1.00 0.00 H new ATOM 1377 N VAL A 83 -2.363 4.687 -6.198 1.00 0.00 N ATOM 1378 CA VAL A 83 -2.987 5.421 -5.099 1.00 0.00 C ATOM 1379 C VAL A 83 -2.999 6.907 -5.369 1.00 0.00 C ATOM 1380 O VAL A 83 -1.961 7.549 -5.584 1.00 0.00 O ATOM 1381 CB VAL A 83 -2.231 5.090 -3.750 1.00 0.00 C ATOM 1382 CG1 VAL A 83 -0.708 5.399 -3.722 1.00 0.00 C ATOM 1383 CG2 VAL A 83 -2.811 5.806 -2.507 1.00 0.00 C ATOM 0 H VAL A 83 -1.371 4.888 -6.328 1.00 0.00 H new ATOM 0 HA VAL A 83 -4.026 5.105 -5.009 1.00 0.00 H new ATOM 0 HB VAL A 83 -2.388 4.012 -3.711 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -0.300 5.131 -2.747 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -0.205 4.821 -4.497 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -0.549 6.462 -3.902 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -2.236 5.525 -1.624 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -2.754 6.885 -2.649 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -3.852 5.512 -2.371 1.00 0.00 H new ATOM 1393 N SER A 84 -4.185 7.488 -5.341 1.00 0.00 N ATOM 1394 CA SER A 84 -4.370 8.931 -5.463 1.00 0.00 C ATOM 1395 C SER A 84 -5.172 9.464 -4.298 1.00 0.00 C ATOM 1396 O SER A 84 -6.402 9.325 -4.233 1.00 0.00 O ATOM 1397 CB SER A 84 -5.019 9.291 -6.823 1.00 0.00 C ATOM 1398 OG SER A 84 -6.375 8.845 -6.930 1.00 0.00 O ATOM 0 H SER A 84 -5.057 6.971 -5.232 1.00 0.00 H new ATOM 0 HA SER A 84 -3.392 9.411 -5.435 1.00 0.00 H new ATOM 0 HB2 SER A 84 -4.986 10.372 -6.961 1.00 0.00 H new ATOM 0 HB3 SER A 84 -4.432 8.849 -7.628 1.00 0.00 H new ATOM 0 HG SER A 84 -6.966 9.619 -7.038 1.00 0.00 H new ATOM 1404 N ILE A 85 -4.484 10.102 -3.370 1.00 0.00 N ATOM 1405 CA ILE A 85 -5.102 10.544 -2.120 1.00 0.00 C ATOM 1406 C ILE A 85 -5.153 12.055 -2.069 1.00 0.00 C ATOM 1407 O ILE A 85 -4.125 12.753 -2.073 1.00 0.00 O ATOM 1408 CB ILE A 85 -4.383 9.893 -0.868 1.00 0.00 C ATOM 1409 CG1 ILE A 85 -3.754 8.481 -1.142 1.00 0.00 C ATOM 1410 CG2 ILE A 85 -5.318 9.788 0.378 1.00 0.00 C ATOM 1411 CD1 ILE A 85 -4.726 7.291 -0.999 1.00 0.00 C ATOM 0 H ILE A 85 -3.493 10.330 -3.453 1.00 0.00 H new ATOM 0 HA ILE A 85 -6.134 10.194 -2.083 1.00 0.00 H new ATOM 0 HB ILE A 85 -3.569 10.587 -0.659 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -3.342 8.474 -2.151 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -2.920 8.333 -0.456 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -4.772 9.335 1.205 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -5.653 10.784 0.667 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -6.183 9.172 0.133 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -4.196 6.362 -1.208 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -5.120 7.263 0.017 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -5.549 7.406 -1.705 1.00 0.00 H new ATOM 1423 N TYR A 86 -6.354 12.599 -2.045 1.00 0.00 N ATOM 1424 CA TYR A 86 -6.605 14.027 -2.227 1.00 0.00 C ATOM 1425 C TYR A 86 -6.995 14.718 -0.942 1.00 0.00 C ATOM 1426 O TYR A 86 -7.346 14.096 0.070 1.00 0.00 O ATOM 1427 CB TYR A 86 -7.767 14.217 -3.258 1.00 0.00 C ATOM 1428 CG TYR A 86 -7.550 13.554 -4.626 1.00 0.00 C ATOM 1429 CD1 TYR A 86 -6.282 13.102 -5.007 1.00 0.00 C ATOM 1430 CD2 TYR A 86 -8.630 13.389 -5.497 1.00 0.00 C ATOM 1431 CE1 TYR A 86 -6.098 12.502 -6.250 1.00 0.00 C ATOM 1432 CE2 TYR A 86 -8.444 12.790 -6.739 1.00 0.00 C ATOM 1433 CZ TYR A 86 -7.179 12.340 -7.112 1.00 0.00 C ATOM 1434 OH TYR A 86 -6.999 11.744 -8.328 1.00 0.00 O ATOM 0 H TYR A 86 -7.204 12.055 -1.896 1.00 0.00 H new ATOM 0 HA TYR A 86 -5.676 14.473 -2.582 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -8.684 13.821 -2.823 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -7.923 15.285 -3.412 1.00 0.00 H new ATOM 0 HD1 TYR A 86 -5.444 13.219 -4.336 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -9.613 13.728 -5.205 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -5.116 12.162 -6.545 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -9.279 12.674 -7.413 1.00 0.00 H new ATOM 0 HH TYR A 86 -7.854 11.709 -8.805 1.00 0.00 H new ATOM 1444 N ASP A 87 -6.916 16.041 -0.962 1.00 0.00 N ATOM 1445 CA ASP A 87 -7.308 16.871 0.172 1.00 0.00 C ATOM 1446 C ASP A 87 -8.721 17.382 0.010 1.00 0.00 C ATOM 1447 O ASP A 87 -9.468 17.008 -0.905 1.00 0.00 O ATOM 1448 CB ASP A 87 -6.294 18.031 0.370 1.00 0.00 C ATOM 1449 CG ASP A 87 -6.147 19.019 -0.796 1.00 0.00 C ATOM 1450 OD1 ASP A 87 -5.914 18.667 -1.943 1.00 0.00 O ATOM 1451 OD2 ASP A 87 -6.328 20.322 -0.418 1.00 0.00 O ATOM 0 H ASP A 87 -6.578 16.571 -1.765 1.00 0.00 H new ATOM 0 HA ASP A 87 -7.292 16.257 1.073 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -6.586 18.592 1.258 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -5.315 17.597 0.575 1.00 0.00 H new ATOM 1456 N THR A 88 -9.116 18.247 0.932 1.00 0.00 N ATOM 1457 CA THR A 88 -10.487 18.741 1.010 1.00 0.00 C ATOM 1458 C THR A 88 -10.864 19.549 -0.209 1.00 0.00 C ATOM 1459 O THR A 88 -12.041 19.589 -0.619 1.00 0.00 O ATOM 1460 CB THR A 88 -10.686 19.593 2.312 1.00 0.00 C ATOM 1461 OG1 THR A 88 -10.119 20.886 2.152 1.00 0.00 O ATOM 1462 CG2 THR A 88 -10.035 19.041 3.598 1.00 0.00 C ATOM 0 H THR A 88 -8.497 18.628 1.648 1.00 0.00 H new ATOM 0 HA THR A 88 -11.147 17.874 1.046 1.00 0.00 H new ATOM 0 HB THR A 88 -11.769 19.582 2.437 1.00 0.00 H new ATOM 0 HG1 THR A 88 -10.253 21.406 2.972 1.00 0.00 H new ATOM 0 HG21 THR A 88 -10.242 19.716 4.429 1.00 0.00 H new ATOM 0 HG22 THR A 88 -10.446 18.056 3.820 1.00 0.00 H new ATOM 0 HG23 THR A 88 -8.957 18.961 3.455 1.00 0.00 H new ATOM 1470 N LYS A 89 -9.903 20.215 -0.822 1.00 0.00 N ATOM 1471 CA LYS A 89 -10.185 21.133 -1.924 1.00 0.00 C ATOM 1472 C LYS A 89 -10.312 20.418 -3.252 1.00 0.00 C ATOM 1473 O LYS A 89 -10.411 21.079 -4.313 1.00 0.00 O ATOM 1474 CB LYS A 89 -9.064 22.209 -1.992 1.00 0.00 C ATOM 1475 CG LYS A 89 -9.030 23.159 -0.769 1.00 0.00 C ATOM 1476 CD LYS A 89 -7.659 23.771 -0.468 1.00 0.00 C ATOM 1477 CE LYS A 89 -7.846 25.171 0.131 1.00 0.00 C ATOM 1478 NZ LYS A 89 -7.051 26.144 -0.640 1.00 0.00 N ATOM 0 H LYS A 89 -8.915 20.141 -0.579 1.00 0.00 H new ATOM 0 HA LYS A 89 -11.147 21.607 -1.730 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -8.099 21.709 -2.078 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -9.198 22.802 -2.897 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -9.744 23.966 -0.934 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -9.367 22.609 0.110 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -7.110 23.136 0.228 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -7.067 23.830 -1.381 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -8.900 25.449 0.112 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -7.534 25.176 1.175 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -7.177 27.094 -0.235 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -6.046 25.881 -0.599 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -7.369 26.145 -1.630 1.00 0.00 H new ATOM 1492 N GLY A 90 -10.337 19.099 -3.273 1.00 0.00 N ATOM 1493 CA GLY A 90 -10.382 18.346 -4.528 1.00 0.00 C ATOM 1494 C GLY A 90 -9.057 18.348 -5.252 1.00 0.00 C ATOM 1495 O GLY A 90 -8.997 18.103 -6.476 1.00 0.00 O ATOM 0 H GLY A 90 -10.327 18.518 -2.435 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -10.677 17.317 -4.320 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -11.147 18.773 -5.177 1.00 0.00 H new ATOM 1499 N LYS A 91 -7.971 18.638 -4.562 1.00 0.00 N ATOM 1500 CA LYS A 91 -6.643 18.643 -5.174 1.00 0.00 C ATOM 1501 C LYS A 91 -5.983 17.289 -5.069 1.00 0.00 C ATOM 1502 O LYS A 91 -6.219 16.522 -4.121 1.00 0.00 O ATOM 1503 CB LYS A 91 -5.770 19.733 -4.488 1.00 0.00 C ATOM 1504 CG LYS A 91 -6.221 21.176 -4.822 1.00 0.00 C ATOM 1505 CD LYS A 91 -5.088 22.195 -4.972 1.00 0.00 C ATOM 1506 CE LYS A 91 -3.830 21.485 -5.490 1.00 0.00 C ATOM 1507 NZ LYS A 91 -2.894 22.484 -6.037 1.00 0.00 N ATOM 0 H LYS A 91 -7.976 18.876 -3.570 1.00 0.00 H new ATOM 0 HA LYS A 91 -6.746 18.871 -6.235 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -5.804 19.590 -3.408 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -4.732 19.604 -4.794 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -6.794 21.155 -5.749 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -6.896 21.519 -4.038 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -5.384 22.985 -5.662 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -4.882 22.670 -4.013 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -3.354 20.929 -4.682 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -4.098 20.762 -6.260 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -2.041 22.004 -6.389 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -3.350 22.996 -6.819 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -2.630 23.158 -5.290 1.00 0.00 H new ATOM 1521 N ASN A 92 -5.119 16.973 -6.014 1.00 0.00 N ATOM 1522 CA ASN A 92 -4.312 15.757 -5.940 1.00 0.00 C ATOM 1523 C ASN A 92 -3.017 16.019 -5.207 1.00 0.00 C ATOM 1524 O ASN A 92 -2.014 16.463 -5.785 1.00 0.00 O ATOM 1525 CB ASN A 92 -4.044 15.223 -7.377 1.00 0.00 C ATOM 1526 CG ASN A 92 -5.239 15.187 -8.337 1.00 0.00 C ATOM 1527 OD1 ASN A 92 -5.103 15.218 -9.551 1.00 0.00 O ATOM 1528 ND2 ASN A 92 -6.444 15.138 -7.837 1.00 0.00 N ATOM 0 H ASN A 92 -4.953 17.539 -6.846 1.00 0.00 H new ATOM 0 HA ASN A 92 -4.858 14.998 -5.380 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -3.265 15.838 -7.828 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -3.644 14.212 -7.294 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -7.254 15.126 -8.457 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -6.576 15.112 -6.826 1.00 0.00 H new ATOM 1535 N VAL A 93 -3.026 15.767 -3.912 1.00 0.00 N ATOM 1536 CA VAL A 93 -1.895 16.102 -3.042 1.00 0.00 C ATOM 1537 C VAL A 93 -0.772 15.090 -3.113 1.00 0.00 C ATOM 1538 O VAL A 93 0.387 15.382 -2.778 1.00 0.00 O ATOM 1539 CB VAL A 93 -2.409 16.248 -1.553 1.00 0.00 C ATOM 1540 CG1 VAL A 93 -3.744 17.018 -1.358 1.00 0.00 C ATOM 1541 CG2 VAL A 93 -2.604 14.897 -0.823 1.00 0.00 C ATOM 0 H VAL A 93 -3.808 15.327 -3.428 1.00 0.00 H new ATOM 0 HA VAL A 93 -1.479 17.046 -3.395 1.00 0.00 H new ATOM 0 HB VAL A 93 -1.591 16.829 -1.127 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -3.993 17.052 -0.297 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -3.637 18.034 -1.739 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -4.540 16.509 -1.901 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -2.958 15.079 0.192 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -3.337 14.296 -1.360 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -1.654 14.363 -0.786 1.00 0.00 H new ATOM 1551 N LEU A 94 -1.085 13.893 -3.570 1.00 0.00 N ATOM 1552 CA LEU A 94 -0.085 12.838 -3.708 1.00 0.00 C ATOM 1553 C LEU A 94 -0.572 11.738 -4.623 1.00 0.00 C ATOM 1554 O LEU A 94 -1.763 11.401 -4.673 1.00 0.00 O ATOM 1555 CB LEU A 94 0.303 12.271 -2.312 1.00 0.00 C ATOM 1556 CG LEU A 94 0.936 10.854 -2.245 1.00 0.00 C ATOM 1557 CD1 LEU A 94 2.397 10.880 -1.766 1.00 0.00 C ATOM 1558 CD2 LEU A 94 0.106 9.948 -1.326 1.00 0.00 C ATOM 0 H LEU A 94 -2.026 13.621 -3.854 1.00 0.00 H new ATOM 0 HA LEU A 94 0.806 13.273 -4.162 1.00 0.00 H new ATOM 0 HB2 LEU A 94 1.001 12.970 -1.851 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -0.595 12.264 -1.694 1.00 0.00 H new ATOM 0 HG LEU A 94 0.934 10.458 -3.260 1.00 0.00 H new ATOM 0 HD11 LEU A 94 2.789 9.863 -1.738 1.00 0.00 H new ATOM 0 HD12 LEU A 94 2.994 11.481 -2.452 1.00 0.00 H new ATOM 0 HD13 LEU A 94 2.445 11.315 -0.768 1.00 0.00 H new ATOM 0 HD21 LEU A 94 0.559 8.957 -1.286 1.00 0.00 H new ATOM 0 HD22 LEU A 94 0.078 10.375 -0.323 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -0.909 9.868 -1.715 1.00 0.00 H new ATOM 1570 N GLU A 95 0.355 11.161 -5.367 1.00 0.00 N ATOM 1571 CA GLU A 95 0.043 10.109 -6.330 1.00 0.00 C ATOM 1572 C GLU A 95 1.189 9.134 -6.453 1.00 0.00 C ATOM 1573 O GLU A 95 2.372 9.509 -6.443 1.00 0.00 O ATOM 1574 CB GLU A 95 -0.283 10.772 -7.697 1.00 0.00 C ATOM 1575 CG GLU A 95 -0.680 12.285 -7.687 1.00 0.00 C ATOM 1576 CD GLU A 95 -0.603 13.065 -9.001 1.00 0.00 C ATOM 1577 OE1 GLU A 95 -1.040 12.362 -10.083 1.00 0.00 O ATOM 1578 OE2 GLU A 95 -0.188 14.214 -9.071 1.00 0.00 O ATOM 0 H GLU A 95 1.345 11.405 -5.324 1.00 0.00 H new ATOM 0 HA GLU A 95 -0.822 9.541 -5.988 1.00 0.00 H new ATOM 0 HB2 GLU A 95 0.587 10.656 -8.343 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -1.098 10.213 -8.157 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -1.703 12.358 -7.317 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -0.042 12.791 -6.962 1.00 0.00 H new ATOM 1585 N LYS A 96 0.861 7.864 -6.593 1.00 0.00 N ATOM 1586 CA LYS A 96 1.864 6.802 -6.594 1.00 0.00 C ATOM 1587 C LYS A 96 1.384 5.604 -7.378 1.00 0.00 C ATOM 1588 O LYS A 96 0.180 5.405 -7.599 1.00 0.00 O ATOM 1589 CB LYS A 96 2.200 6.409 -5.129 1.00 0.00 C ATOM 1590 CG LYS A 96 3.391 7.201 -4.534 1.00 0.00 C ATOM 1591 CD LYS A 96 4.685 6.397 -4.377 1.00 0.00 C ATOM 1592 CE LYS A 96 5.231 6.043 -5.767 1.00 0.00 C ATOM 1593 NZ LYS A 96 6.704 6.082 -5.739 1.00 0.00 N ATOM 0 H LYS A 96 -0.098 7.535 -6.709 1.00 0.00 H new ATOM 0 HA LYS A 96 2.768 7.168 -7.081 1.00 0.00 H new ATOM 0 HB2 LYS A 96 1.320 6.571 -4.507 1.00 0.00 H new ATOM 0 HB3 LYS A 96 2.427 5.344 -5.090 1.00 0.00 H new ATOM 0 HG2 LYS A 96 3.591 8.062 -5.171 1.00 0.00 H new ATOM 0 HG3 LYS A 96 3.100 7.588 -3.557 1.00 0.00 H new ATOM 0 HD2 LYS A 96 5.422 6.976 -3.820 1.00 0.00 H new ATOM 0 HD3 LYS A 96 4.496 5.488 -3.805 1.00 0.00 H new ATOM 0 HE2 LYS A 96 4.888 5.052 -6.063 1.00 0.00 H new ATOM 0 HE3 LYS A 96 4.852 6.746 -6.509 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 7.076 5.842 -6.680 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 7.021 7.036 -5.474 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 7.056 5.395 -5.042 1.00 0.00 H new ATOM 1607 N ILE A 97 2.321 4.774 -7.797 1.00 0.00 N ATOM 1608 CA ILE A 97 2.017 3.609 -8.624 1.00 0.00 C ATOM 1609 C ILE A 97 2.487 2.337 -7.956 1.00 0.00 C ATOM 1610 O ILE A 97 3.575 2.271 -7.366 1.00 0.00 O ATOM 1611 CB ILE A 97 2.612 3.767 -10.082 1.00 0.00 C ATOM 1612 CG1 ILE A 97 2.893 5.242 -10.515 1.00 0.00 C ATOM 1613 CG2 ILE A 97 1.718 3.104 -11.175 1.00 0.00 C ATOM 1614 CD1 ILE A 97 3.886 5.426 -11.680 1.00 0.00 C ATOM 0 H ILE A 97 3.311 4.883 -7.578 1.00 0.00 H new ATOM 0 HA ILE A 97 0.934 3.541 -8.729 1.00 0.00 H new ATOM 0 HB ILE A 97 3.567 3.247 -10.012 1.00 0.00 H new ATOM 0 HG12 ILE A 97 1.946 5.705 -10.794 1.00 0.00 H new ATOM 0 HG13 ILE A 97 3.272 5.788 -9.651 1.00 0.00 H new ATOM 0 HG21 ILE A 97 2.176 3.244 -12.154 1.00 0.00 H new ATOM 0 HG22 ILE A 97 1.622 2.038 -10.969 1.00 0.00 H new ATOM 0 HG23 ILE A 97 0.731 3.566 -11.167 1.00 0.00 H new ATOM 0 HD11 ILE A 97 4.004 6.488 -11.894 1.00 0.00 H new ATOM 0 HD12 ILE A 97 4.852 5.002 -11.405 1.00 0.00 H new ATOM 0 HD13 ILE A 97 3.506 4.918 -12.566 1.00 0.00 H new ATOM 1626 N PHE A 98 1.659 1.311 -8.021 1.00 0.00 N ATOM 1627 CA PHE A 98 1.924 0.048 -7.338 1.00 0.00 C ATOM 1628 C PHE A 98 1.728 -1.127 -8.269 1.00 0.00 C ATOM 1629 O PHE A 98 1.194 -0.997 -9.380 1.00 0.00 O ATOM 1630 CB PHE A 98 0.960 -0.118 -6.124 1.00 0.00 C ATOM 1631 CG PHE A 98 1.143 0.868 -4.961 1.00 0.00 C ATOM 1632 CD1 PHE A 98 0.825 2.220 -5.116 1.00 0.00 C ATOM 1633 CD2 PHE A 98 1.674 0.419 -3.745 1.00 0.00 C ATOM 1634 CE1 PHE A 98 0.990 3.102 -4.052 1.00 0.00 C ATOM 1635 CE2 PHE A 98 1.830 1.300 -2.680 1.00 0.00 C ATOM 1636 CZ PHE A 98 1.473 2.639 -2.829 1.00 0.00 C ATOM 0 H PHE A 98 0.785 1.324 -8.546 1.00 0.00 H new ATOM 0 HA PHE A 98 2.960 0.069 -6.998 1.00 0.00 H new ATOM 0 HB2 PHE A 98 -0.064 -0.030 -6.487 1.00 0.00 H new ATOM 0 HB3 PHE A 98 1.074 -1.130 -5.734 1.00 0.00 H new ATOM 0 HD1 PHE A 98 0.451 2.581 -6.063 1.00 0.00 H new ATOM 0 HD2 PHE A 98 1.963 -0.616 -3.634 1.00 0.00 H new ATOM 0 HE1 PHE A 98 0.744 4.146 -4.174 1.00 0.00 H new ATOM 0 HE2 PHE A 98 2.227 0.947 -1.740 1.00 0.00 H new ATOM 0 HZ PHE A 98 1.571 3.319 -1.996 1.00 0.00 H new ATOM 1646 N ASP A 99 2.132 -2.298 -7.814 1.00 0.00 N ATOM 1647 CA ASP A 99 1.892 -3.539 -8.544 1.00 0.00 C ATOM 1648 C ASP A 99 1.969 -4.736 -7.627 1.00 0.00 C ATOM 1649 O ASP A 99 3.068 -5.222 -7.292 1.00 0.00 O ATOM 1650 CB ASP A 99 2.882 -3.665 -9.733 1.00 0.00 C ATOM 1651 CG ASP A 99 3.435 -2.358 -10.320 1.00 0.00 C ATOM 1652 OD1 ASP A 99 4.232 -1.644 -9.730 1.00 0.00 O ATOM 1653 OD2 ASP A 99 2.960 -2.100 -11.577 1.00 0.00 O ATOM 0 H ASP A 99 2.633 -2.421 -6.934 1.00 0.00 H new ATOM 0 HA ASP A 99 0.880 -3.511 -8.949 1.00 0.00 H new ATOM 0 HB2 ASP A 99 3.725 -4.274 -9.409 1.00 0.00 H new ATOM 0 HB3 ASP A 99 2.383 -4.212 -10.533 1.00 0.00 H new ATOM 1658 N LEU A 100 0.831 -5.256 -7.207 1.00 0.00 N ATOM 1659 CA LEU A 100 0.797 -6.498 -6.432 1.00 0.00 C ATOM 1660 C LEU A 100 1.521 -7.604 -7.162 1.00 0.00 C ATOM 1661 O LEU A 100 1.525 -7.676 -8.402 1.00 0.00 O ATOM 1662 CB LEU A 100 -0.670 -6.906 -6.117 1.00 0.00 C ATOM 1663 CG LEU A 100 -1.190 -6.720 -4.666 1.00 0.00 C ATOM 1664 CD1 LEU A 100 -0.988 -5.290 -4.139 1.00 0.00 C ATOM 1665 CD2 LEU A 100 -2.678 -7.092 -4.588 1.00 0.00 C ATOM 0 H LEU A 100 -0.085 -4.844 -7.385 1.00 0.00 H new ATOM 0 HA LEU A 100 1.312 -6.327 -5.486 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -1.323 -6.338 -6.780 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -0.786 -7.957 -6.380 1.00 0.00 H new ATOM 0 HG LEU A 100 -0.602 -7.385 -4.033 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -1.370 -5.220 -3.121 1.00 0.00 H new ATOM 0 HD12 LEU A 100 0.074 -5.047 -4.145 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -1.525 -4.588 -4.777 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -3.033 -6.958 -3.566 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -3.249 -6.449 -5.258 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -2.809 -8.133 -4.884 1.00 0.00 H new ATOM 1677 N LYS A 101 2.168 -8.481 -6.415 1.00 0.00 N ATOM 1678 CA LYS A 101 2.859 -9.627 -6.999 1.00 0.00 C ATOM 1679 C LYS A 101 2.621 -10.887 -6.197 1.00 0.00 C ATOM 1680 O LYS A 101 2.165 -10.866 -5.045 1.00 0.00 O ATOM 1681 CB LYS A 101 4.387 -9.341 -7.087 1.00 0.00 C ATOM 1682 CG LYS A 101 4.761 -8.144 -7.996 1.00 0.00 C ATOM 1683 CD LYS A 101 5.812 -8.448 -9.067 1.00 0.00 C ATOM 1684 CE LYS A 101 5.347 -7.869 -10.409 1.00 0.00 C ATOM 1685 NZ LYS A 101 4.180 -8.629 -10.892 1.00 0.00 N ATOM 0 H LYS A 101 2.232 -8.425 -5.399 1.00 0.00 H new ATOM 0 HA LYS A 101 2.457 -9.782 -8.000 1.00 0.00 H new ATOM 0 HB2 LYS A 101 4.768 -9.152 -6.083 1.00 0.00 H new ATOM 0 HB3 LYS A 101 4.891 -10.234 -7.457 1.00 0.00 H new ATOM 0 HG2 LYS A 101 3.857 -7.784 -8.487 1.00 0.00 H new ATOM 0 HG3 LYS A 101 5.128 -7.332 -7.369 1.00 0.00 H new ATOM 0 HD2 LYS A 101 6.772 -8.016 -8.784 1.00 0.00 H new ATOM 0 HD3 LYS A 101 5.960 -9.524 -9.153 1.00 0.00 H new ATOM 0 HE2 LYS A 101 5.087 -6.817 -10.293 1.00 0.00 H new ATOM 0 HE3 LYS A 101 6.155 -7.919 -11.139 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 4.168 -8.623 -11.932 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 4.240 -9.610 -10.553 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 3.308 -8.191 -10.533 1.00 0.00 H new ATOM 1699 N ILE A 102 2.921 -12.015 -6.813 1.00 0.00 N ATOM 1700 CA ILE A 102 2.940 -13.304 -6.129 1.00 0.00 C ATOM 1701 C ILE A 102 4.346 -13.860 -6.121 1.00 0.00 C ATOM 1702 O ILE A 102 5.106 -13.724 -7.090 1.00 0.00 O ATOM 1703 CB ILE A 102 1.909 -14.337 -6.740 1.00 0.00 C ATOM 1704 CG1 ILE A 102 0.465 -13.773 -6.939 1.00 0.00 C ATOM 1705 CG2 ILE A 102 1.803 -15.650 -5.903 1.00 0.00 C ATOM 1706 CD1 ILE A 102 -0.257 -13.310 -5.657 1.00 0.00 C ATOM 0 H ILE A 102 3.159 -12.068 -7.803 1.00 0.00 H new ATOM 0 HA ILE A 102 2.619 -13.138 -5.101 1.00 0.00 H new ATOM 0 HB ILE A 102 2.329 -14.550 -7.723 1.00 0.00 H new ATOM 0 HG12 ILE A 102 0.516 -12.931 -7.629 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -0.142 -14.541 -7.418 1.00 0.00 H new ATOM 0 HG21 ILE A 102 1.082 -16.321 -6.369 1.00 0.00 H new ATOM 0 HG22 ILE A 102 2.778 -16.136 -5.863 1.00 0.00 H new ATOM 0 HG23 ILE A 102 1.475 -15.411 -4.891 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -1.249 -12.938 -5.912 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -0.350 -14.150 -4.969 1.00 0.00 H new ATOM 0 HD13 ILE A 102 0.318 -12.514 -5.183 1.00 0.00 H new ATOM 1718 N GLN A 103 4.698 -14.527 -5.039 1.00 0.00 N ATOM 1719 CA GLN A 103 6.075 -14.964 -4.824 1.00 0.00 C ATOM 1720 C GLN A 103 6.130 -16.380 -4.303 1.00 0.00 C ATOM 1721 O GLN A 103 5.259 -16.837 -3.548 1.00 0.00 O ATOM 1722 CB GLN A 103 6.757 -13.983 -3.844 1.00 0.00 C ATOM 1723 CG GLN A 103 8.053 -14.504 -3.139 1.00 0.00 C ATOM 1724 CD GLN A 103 9.423 -14.189 -3.751 1.00 0.00 C ATOM 1725 OE1 GLN A 103 9.571 -13.252 -4.519 1.00 0.00 O ATOM 1726 NE2 GLN A 103 10.464 -14.917 -3.432 1.00 0.00 N ATOM 0 H GLN A 103 4.053 -14.781 -4.291 1.00 0.00 H new ATOM 0 HA GLN A 103 6.607 -14.960 -5.775 1.00 0.00 H new ATOM 0 HB2 GLN A 103 7.005 -13.072 -4.388 1.00 0.00 H new ATOM 0 HB3 GLN A 103 6.035 -13.709 -3.075 1.00 0.00 H new ATOM 0 HG2 GLN A 103 8.052 -14.112 -2.122 1.00 0.00 H new ATOM 0 HG3 GLN A 103 7.970 -15.588 -3.063 1.00 0.00 H new ATOM 0 HE21 GLN A 103 10.359 -15.704 -2.792 1.00 0.00 H new ATOM 0 HE22 GLN A 103 11.380 -14.697 -3.824 1.00 0.00 H new ATOM 1735 N GLU A 104 7.150 -17.109 -4.716 1.00 0.00 N ATOM 1736 CA GLU A 104 7.265 -18.529 -4.398 1.00 0.00 C ATOM 1737 C GLU A 104 8.570 -19.095 -4.912 1.00 0.00 C ATOM 1738 O GLU A 104 8.709 -19.526 -6.064 1.00 0.00 O ATOM 1739 CB GLU A 104 6.050 -19.287 -5.002 1.00 0.00 C ATOM 1740 CG GLU A 104 5.342 -18.663 -6.248 1.00 0.00 C ATOM 1741 CD GLU A 104 4.104 -19.368 -6.809 1.00 0.00 C ATOM 1742 OE1 GLU A 104 3.563 -20.311 -6.246 1.00 0.00 O ATOM 1743 OE2 GLU A 104 3.665 -18.848 -7.988 1.00 0.00 O ATOM 0 H GLU A 104 7.919 -16.742 -5.277 1.00 0.00 H new ATOM 0 HA GLU A 104 7.262 -18.656 -3.315 1.00 0.00 H new ATOM 0 HB2 GLU A 104 6.383 -20.289 -5.274 1.00 0.00 H new ATOM 0 HB3 GLU A 104 5.303 -19.401 -4.216 1.00 0.00 H new ATOM 0 HG2 GLU A 104 5.056 -17.643 -5.991 1.00 0.00 H new ATOM 0 HG3 GLU A 104 6.078 -18.596 -7.049 1.00 0.00 H new ATOM 1750 N ARG A 105 9.564 -19.089 -4.037 1.00 0.00 N ATOM 1751 CA ARG A 105 10.867 -19.681 -4.322 1.00 0.00 C ATOM 1752 C ARG A 105 10.812 -21.185 -4.203 1.00 0.00 C ATOM 1753 O ARG A 105 11.088 -21.948 -5.180 1.00 0.00 O ATOM 1754 CB ARG A 105 11.921 -19.075 -3.355 1.00 0.00 C ATOM 1755 CG ARG A 105 13.115 -20.009 -3.022 1.00 0.00 C ATOM 1756 CD ARG A 105 14.141 -20.080 -4.161 1.00 0.00 C ATOM 1757 NE ARG A 105 13.716 -21.141 -5.109 1.00 0.00 N ATOM 1758 CZ ARG A 105 13.886 -22.444 -4.933 1.00 0.00 C ATOM 1759 NH1 ARG A 105 14.415 -22.979 -3.872 1.00 0.00 N ATOM 1760 NH2 ARG A 105 13.499 -23.226 -5.878 1.00 0.00 N ATOM 1761 OXT ARG A 105 10.468 -21.641 -3.069 1.00 0.00 O ATOM 0 H ARG A 105 9.492 -18.674 -3.108 1.00 0.00 H new ATOM 0 HA ARG A 105 11.154 -19.452 -5.348 1.00 0.00 H new ATOM 0 HB2 ARG A 105 12.309 -18.156 -3.794 1.00 0.00 H new ATOM 0 HB3 ARG A 105 11.424 -18.799 -2.425 1.00 0.00 H new ATOM 0 HG2 ARG A 105 13.607 -19.656 -2.116 1.00 0.00 H new ATOM 0 HG3 ARG A 105 12.741 -21.011 -2.811 1.00 0.00 H new ATOM 0 HD2 ARG A 105 14.208 -19.119 -4.672 1.00 0.00 H new ATOM 0 HD3 ARG A 105 15.132 -20.300 -3.765 1.00 0.00 H new ATOM 0 HE ARG A 105 13.254 -20.842 -5.968 1.00 0.00 H new ATOM 0 HH11 ARG A 105 14.731 -22.385 -3.105 1.00 0.00 H new ATOM 0 HH12 ARG A 105 14.514 -23.992 -3.807 1.00 0.00 H new ATOM 0 HH21 ARG A 105 13.080 -22.837 -6.722 1.00 0.00 H new ATOM 0 HH22 ARG A 105 13.611 -24.235 -5.783 1.00 0.00 H new TER 1775 ARG A 105 HETATM 1776 C1 NAG A 106 -1.292 1.902 8.326 1.00 0.00 C HETATM 1777 C2 NAG A 106 0.075 1.219 8.614 1.00 0.00 C HETATM 1778 C3 NAG A 106 -0.132 -0.319 8.766 1.00 0.00 C HETATM 1779 C4 NAG A 106 -1.218 -0.664 9.835 1.00 0.00 C HETATM 1780 C5 NAG A 106 -2.535 0.109 9.510 1.00 0.00 C HETATM 1781 C6 NAG A 106 -3.626 -0.016 10.592 1.00 0.00 C HETATM 1782 C7 NAG A 106 2.214 2.144 7.746 1.00 0.00 C HETATM 1783 C8 NAG A 106 3.106 2.313 6.516 1.00 0.00 C HETATM 1784 N2 NAG A 106 1.056 1.501 7.533 1.00 0.00 N HETATM 1785 O3 NAG A 106 1.111 -0.915 9.126 1.00 0.00 O HETATM 1786 O4 NAG A 106 -1.492 -2.100 9.890 1.00 0.00 O HETATM 1787 O5 NAG A 106 -2.253 1.529 9.350 1.00 0.00 O HETATM 1788 O6 NAG A 106 -3.078 0.191 11.887 1.00 0.00 O HETATM 1789 O7 NAG A 106 2.574 2.583 8.841 1.00 0.00 O HETATM 0 HO6 NAG A 106 -3.316 -0.562 12.467 1.00 0.00 H new HETATM 0 HO3 NAG A 106 0.993 -1.883 9.226 1.00 0.00 H new HETATM 0 HN2 NAG A 106 0.839 1.191 6.586 1.00 0.00 H new HETATM 0 H83 NAG A 106 3.367 1.332 6.118 1.00 0.00 H new HETATM 0 H82 NAG A 106 2.573 2.883 5.755 1.00 0.00 H new HETATM 0 H81 NAG A 106 4.015 2.844 6.796 1.00 0.00 H new HETATM 0 H62 NAG A 106 -4.415 0.713 10.405 1.00 0.00 H new HETATM 0 H61 NAG A 106 -4.085 -1.003 10.540 1.00 0.00 H new HETATM 0 H5 NAG A 106 -2.912 -0.347 8.595 1.00 0.00 H new HETATM 0 H4 NAG A 106 -0.835 -0.361 10.810 1.00 0.00 H new HETATM 0 H3 NAG A 106 -0.484 -0.713 7.813 1.00 0.00 H new HETATM 0 H2 NAG A 106 0.476 1.626 9.542 1.00 0.00 H new HETATM 1803 C1 NAG A 107 -1.592 -2.687 11.224 1.00 0.00 C HETATM 1804 C2 NAG A 107 -2.382 -4.026 11.205 1.00 0.00 C HETATM 1805 C3 NAG A 107 -2.298 -4.686 12.617 1.00 0.00 C HETATM 1806 C4 NAG A 107 -0.835 -4.836 13.124 1.00 0.00 C HETATM 1807 C5 NAG A 107 -0.089 -3.471 13.025 1.00 0.00 C HETATM 1808 C6 NAG A 107 1.420 -3.552 13.319 1.00 0.00 C HETATM 1809 C7 NAG A 107 -4.674 -3.098 11.537 1.00 0.00 C HETATM 1810 C8 NAG A 107 -6.079 -2.964 10.951 1.00 0.00 C HETATM 1811 N2 NAG A 107 -3.799 -3.805 10.806 1.00 0.00 N HETATM 1812 O3 NAG A 107 -2.887 -5.977 12.570 1.00 0.00 O HETATM 1813 O4 NAG A 107 -0.837 -5.306 14.504 1.00 0.00 O HETATM 1814 O5 NAG A 107 -0.234 -2.944 11.678 1.00 0.00 O HETATM 1815 O6 NAG A 107 1.954 -2.268 13.611 1.00 0.00 O HETATM 1816 O7 NAG A 107 -4.402 -2.560 12.613 1.00 0.00 O HETATM 0 HO6 NAG A 107 2.913 -2.347 13.796 1.00 0.00 H new HETATM 0 HO3 NAG A 107 -2.833 -6.393 13.456 1.00 0.00 H new HETATM 0 HN2 NAG A 107 -4.122 -4.213 9.929 1.00 0.00 H new HETATM 0 H83 NAG A 107 -6.023 -2.468 9.982 1.00 0.00 H new HETATM 0 H82 NAG A 107 -6.518 -3.954 10.827 1.00 0.00 H new HETATM 0 H81 NAG A 107 -6.700 -2.374 11.625 1.00 0.00 H new HETATM 0 H62 NAG A 107 1.594 -4.222 14.161 1.00 0.00 H new HETATM 0 H61 NAG A 107 1.939 -3.978 12.460 1.00 0.00 H new HETATM 0 H5 NAG A 107 -0.542 -2.833 13.783 1.00 0.00 H new HETATM 0 H4 NAG A 107 -0.316 -5.564 12.500 1.00 0.00 H new HETATM 0 H3 NAG A 107 -2.829 -4.030 13.306 1.00 0.00 H new HETATM 0 H2 NAG A 107 -1.938 -4.694 10.467 1.00 0.00 H new HETATM 1830 C1 BMA A 108 -0.273 -6.619 14.761 1.00 0.00 C HETATM 1831 C2 BMA A 108 0.970 -6.504 15.682 1.00 0.00 C HETATM 1832 C3 BMA A 108 1.501 -7.926 16.020 1.00 0.00 C HETATM 1833 C4 BMA A 108 0.388 -8.839 16.603 1.00 0.00 C HETATM 1834 C5 BMA A 108 -0.871 -8.841 15.683 1.00 0.00 C HETATM 1835 C6 BMA A 108 -2.072 -9.574 16.312 1.00 0.00 C HETATM 1836 O2 BMA A 108 0.635 -5.800 16.876 1.00 0.00 O HETATM 1837 O3 BMA A 108 2.611 -7.864 16.962 1.00 0.00 O HETATM 1838 O4 BMA A 108 0.893 -10.164 16.739 1.00 0.00 O HETATM 1839 O5 BMA A 108 -1.280 -7.470 15.384 1.00 0.00 O HETATM 1840 O6 BMA A 108 -3.292 -9.138 15.673 1.00 0.00 O HETATM 0 HO4 BMA A 108 0.257 -10.705 17.252 1.00 0.00 H new HETATM 0 HO2 BMA A 108 -0.115 -5.194 16.699 1.00 0.00 H new HETATM 0 H62 BMA A 108 -1.954 -10.652 16.198 1.00 0.00 H new HETATM 0 H61 BMA A 108 -2.116 -9.370 17.382 1.00 0.00 H new HETATM 0 H5 BMA A 108 -0.583 -9.371 14.775 1.00 0.00 H new HETATM 0 H4 BMA A 108 0.092 -8.454 17.579 1.00 0.00 H new HETATM 0 H3 BMA A 108 1.847 -8.357 15.081 1.00 0.00 H new HETATM 0 H2 BMA A 108 1.751 -5.948 15.164 1.00 0.00 H new HETATM 1850 C1 MAN A 109 3.904 -7.445 16.430 1.00 0.00 C HETATM 1851 C2 MAN A 109 5.058 -7.992 17.312 1.00 0.00 C HETATM 1852 C3 MAN A 109 5.117 -7.242 18.671 1.00 0.00 C HETATM 1853 C4 MAN A 109 5.133 -5.700 18.504 1.00 0.00 C HETATM 1854 C5 MAN A 109 3.962 -5.235 17.588 1.00 0.00 C HETATM 1855 C6 MAN A 109 4.012 -3.739 17.223 1.00 0.00 C HETATM 1856 O2 MAN A 109 6.314 -7.814 16.598 1.00 0.00 O HETATM 1857 O3 MAN A 109 6.267 -7.659 19.401 1.00 0.00 O HETATM 1858 O4 MAN A 109 5.033 -5.094 19.789 1.00 0.00 O HETATM 1859 O5 MAN A 109 3.979 -5.989 16.337 1.00 0.00 O HETATM 1860 O6 MAN A 109 3.495 -2.931 18.274 1.00 0.00 O HETATM 0 HO6 MAN A 109 3.541 -1.987 18.014 1.00 0.00 H new HETATM 0 HO4 MAN A 109 4.550 -4.245 19.713 1.00 0.00 H new HETATM 0 HO3 MAN A 109 6.952 -7.978 18.777 1.00 0.00 H new HETATM 0 H62 MAN A 109 5.041 -3.449 17.011 1.00 0.00 H new HETATM 0 H61 MAN A 109 3.438 -3.566 16.313 1.00 0.00 H new HETATM 0 H5 MAN A 109 3.054 -5.413 18.164 1.00 0.00 H new HETATM 0 H4 MAN A 109 6.067 -5.397 18.031 1.00 0.00 H new HETATM 0 H3 MAN A 109 4.209 -7.496 19.218 1.00 0.00 H new HETATM 0 H2 MAN A 109 4.884 -9.049 17.515 1.00 0.00 H new HETATM 1871 C1 MAN A 110 6.850 -8.959 15.881 1.00 0.00 C HETATM 1872 C2 MAN A 110 8.398 -8.955 15.947 1.00 0.00 C HETATM 1873 C3 MAN A 110 8.995 -7.836 15.056 1.00 0.00 C HETATM 1874 C4 MAN A 110 8.439 -7.870 13.609 1.00 0.00 C HETATM 1875 C5 MAN A 110 6.880 -7.891 13.617 1.00 0.00 C HETATM 1876 C6 MAN A 110 6.258 -8.122 12.226 1.00 0.00 C HETATM 1877 O2 MAN A 110 8.877 -10.227 15.518 1.00 0.00 O HETATM 1878 O3 MAN A 110 10.415 -7.947 15.032 1.00 0.00 O HETATM 1879 O4 MAN A 110 8.921 -6.732 12.901 1.00 0.00 O HETATM 1880 O5 MAN A 110 6.396 -8.959 14.491 1.00 0.00 O HETATM 1881 O6 MAN A 110 5.984 -6.891 11.567 1.00 0.00 O HETATM 0 HO6 MAN A 110 5.592 -7.071 10.687 1.00 0.00 H new HETATM 0 HO4 MAN A 110 8.575 -6.747 11.984 1.00 0.00 H new HETATM 0 HO3 MAN A 110 10.789 -7.239 14.467 1.00 0.00 H new HETATM 0 HO2 MAN A 110 9.773 -10.127 15.134 1.00 0.00 H new HETATM 0 H62 MAN A 110 6.937 -8.719 11.617 1.00 0.00 H new HETATM 0 H61 MAN A 110 5.336 -8.694 12.329 1.00 0.00 H new HETATM 0 H5 MAN A 110 6.578 -6.905 13.970 1.00 0.00 H new HETATM 0 H4 MAN A 110 8.780 -8.779 13.112 1.00 0.00 H new HETATM 0 H3 MAN A 110 8.701 -6.881 15.492 1.00 0.00 H new HETATM 0 H2 MAN A 110 8.709 -8.762 16.974 1.00 0.00 H new HETATM 1893 C1 MAN A 111 -4.525 -9.730 16.157 1.00 0.00 C HETATM 1894 C2 MAN A 111 -5.713 -9.263 15.272 1.00 0.00 C HETATM 1895 C3 MAN A 111 -6.031 -7.760 15.507 1.00 0.00 C HETATM 1896 C4 MAN A 111 -6.197 -7.420 17.015 1.00 0.00 C HETATM 1897 C5 MAN A 111 -4.979 -7.948 17.828 1.00 0.00 C HETATM 1898 C6 MAN A 111 -5.083 -7.742 19.348 1.00 0.00 C HETATM 1899 O2 MAN A 111 -6.856 -10.058 15.574 1.00 0.00 O HETATM 1900 O3 MAN A 111 -7.246 -7.403 14.794 1.00 0.00 O HETATM 1901 O4 MAN A 111 -6.320 -6.008 17.164 1.00 0.00 O HETATM 1902 O5 MAN A 111 -4.774 -9.366 17.552 1.00 0.00 O HETATM 1903 O6 MAN A 111 -6.258 -6.976 19.680 1.00 0.00 O HETATM 0 HO4 MAN A 111 -6.429 -5.787 18.113 1.00 0.00 H new HETATM 0 HO2 MAN A 111 -6.829 -10.325 16.516 1.00 0.00 H new HETATM 0 H62 MAN A 111 -5.120 -8.709 19.849 1.00 0.00 H new HETATM 0 H61 MAN A 111 -4.193 -7.228 19.712 1.00 0.00 H new HETATM 0 H5 MAN A 111 -4.130 -7.351 17.496 1.00 0.00 H new HETATM 0 H4 MAN A 111 -7.095 -7.904 17.399 1.00 0.00 H new HETATM 0 H3 MAN A 111 -5.185 -7.184 15.131 1.00 0.00 H new HETATM 0 H2 MAN A 111 -5.441 -9.385 14.224 1.00 0.00 H new HETATM 1913 C1 MAN A 112 -7.189 -7.390 13.343 1.00 0.00 C HETATM 1914 C2 MAN A 112 -8.274 -6.441 12.776 1.00 0.00 C HETATM 1915 C3 MAN A 112 -9.691 -7.052 12.936 1.00 0.00 C HETATM 1916 C4 MAN A 112 -9.783 -8.504 12.399 1.00 0.00 C HETATM 1917 C5 MAN A 112 -8.648 -9.388 12.997 1.00 0.00 C HETATM 1918 C6 MAN A 112 -8.560 -10.795 12.376 1.00 0.00 C HETATM 1919 O2 MAN A 112 -7.995 -6.198 11.400 1.00 0.00 O HETATM 1920 O3 MAN A 112 -10.647 -6.232 12.274 1.00 0.00 O HETATM 1921 O4 MAN A 112 -11.060 -9.041 12.733 1.00 0.00 O HETATM 1922 O5 MAN A 112 -7.354 -8.737 12.797 1.00 0.00 O HETATM 1923 O6 MAN A 112 -8.763 -10.751 10.969 1.00 0.00 O HETATM 0 HO6 MAN A 112 -8.700 -11.657 10.601 1.00 0.00 H new HETATM 0 HO4 MAN A 112 -11.138 -9.948 12.371 1.00 0.00 H new HETATM 0 HO3 MAN A 112 -11.540 -6.623 12.376 1.00 0.00 H new HETATM 0 HO2 MAN A 112 -8.836 -6.068 10.914 1.00 0.00 H new HETATM 0 H62 MAN A 112 -7.584 -11.230 12.592 1.00 0.00 H new HETATM 0 H61 MAN A 112 -9.306 -11.444 12.833 1.00 0.00 H new HETATM 0 H5 MAN A 112 -8.892 -9.501 14.053 1.00 0.00 H new HETATM 0 H4 MAN A 112 -9.661 -8.495 11.316 1.00 0.00 H new HETATM 0 H3 MAN A 112 -9.904 -7.092 14.004 1.00 0.00 H new HETATM 0 H2 MAN A 112 -8.255 -5.504 13.333 1.00 0.00 H new HETATM 1935 C1 MAN A 113 -6.398 -6.552 21.058 1.00 0.00 C HETATM 1936 C2 MAN A 113 -7.301 -7.554 21.822 1.00 0.00 C HETATM 1937 C3 MAN A 113 -8.775 -7.435 21.344 1.00 0.00 C HETATM 1938 C4 MAN A 113 -9.298 -5.974 21.349 1.00 0.00 C HETATM 1939 C5 MAN A 113 -8.313 -5.031 20.593 1.00 0.00 C HETATM 1940 C6 MAN A 113 -8.665 -3.536 20.708 1.00 0.00 C HETATM 1941 O2 MAN A 113 -7.201 -7.272 23.245 1.00 0.00 O HETATM 1942 O3 MAN A 113 -9.614 -8.252 22.152 1.00 0.00 O HETATM 1943 O4 MAN A 113 -10.583 -5.942 20.736 1.00 0.00 O HETATM 1944 O5 MAN A 113 -6.960 -5.204 21.116 1.00 0.00 O HETATM 1945 O6 MAN A 113 -8.485 -2.867 19.466 1.00 0.00 O HETATM 0 HO6 MAN A 113 -8.717 -1.920 19.568 1.00 0.00 H new HETATM 0 HO4 MAN A 113 -11.055 -5.128 21.009 1.00 0.00 H new HETATM 0 HO3 MAN A 113 -9.282 -8.251 23.074 1.00 0.00 H new HETATM 0 H62 MAN A 113 -9.699 -3.428 21.036 1.00 0.00 H new HETATM 0 H61 MAN A 113 -8.039 -3.070 21.469 1.00 0.00 H new HETATM 0 H5 MAN A 113 -8.388 -5.314 19.543 1.00 0.00 H new HETATM 0 H4 MAN A 113 -9.372 -5.622 22.378 1.00 0.00 H new HETATM 0 H3 MAN A 113 -8.801 -7.777 20.309 1.00 0.00 H new HETATM 0 H2 MAN A 113 -6.971 -8.574 21.624 1.00 0.00 H new HETATM 1956 C1 MAN A 114 -6.005 -7.718 23.940 1.00 0.00 C HETATM 1957 C2 MAN A 114 -6.371 -8.791 24.996 1.00 0.00 C HETATM 1958 C3 MAN A 114 -7.112 -8.154 26.201 1.00 0.00 C HETATM 1959 C4 MAN A 114 -6.356 -6.936 26.792 1.00 0.00 C HETATM 1960 C5 MAN A 114 -5.992 -5.915 25.673 1.00 0.00 C HETATM 1961 C6 MAN A 114 -5.076 -4.769 26.144 1.00 0.00 C HETATM 1962 O2 MAN A 114 -5.174 -9.426 25.439 1.00 0.00 O HETATM 1963 O3 MAN A 114 -7.316 -9.134 27.213 1.00 0.00 O HETATM 1964 O4 MAN A 114 -7.174 -6.319 27.781 1.00 0.00 O HETATM 1965 O5 MAN A 114 -5.307 -6.599 24.576 1.00 0.00 O HETATM 1966 O6 MAN A 114 -4.230 -4.316 25.095 1.00 0.00 O HETATM 0 HO6 MAN A 114 -4.174 -5.004 24.399 1.00 0.00 H new HETATM 0 HO4 MAN A 114 -6.703 -5.549 28.161 1.00 0.00 H new HETATM 0 HO3 MAN A 114 -7.783 -8.727 27.973 1.00 0.00 H new HETATM 0 HO2 MAN A 114 -5.316 -9.805 26.332 1.00 0.00 H new HETATM 0 H62 MAN A 114 -5.685 -3.940 26.506 1.00 0.00 H new HETATM 0 H61 MAN A 114 -4.468 -5.108 26.983 1.00 0.00 H new HETATM 0 H5 MAN A 114 -6.941 -5.481 25.359 1.00 0.00 H new HETATM 0 H4 MAN A 114 -5.426 -7.276 27.247 1.00 0.00 H new HETATM 0 H3 MAN A 114 -8.071 -7.788 25.833 1.00 0.00 H new HETATM 0 H2 MAN A 114 -7.038 -9.525 24.543 1.00 0.00 H new